| 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 | 60.5 | Low | 85.9 | Confident | 87 Ų | 87 | 80.3 Ų | 80.3 | 43% | 0.429 | 42% | 0.415 | S | S | . | . | 0 | -21.2 | 0 | -90.1 | -79.4 | -159 | 0 | 0 | 111.4 | T3 F4 Y77 | M1-T3 PolarHBondContact O-N 2.86Å; M1-F4 PolarHBondContact O-N 3.27Å; M1-F4 VanDerWaalsContact O-O 3.09Å; M1-Y77 HydrophobicContact CE-CE1 3.63Å; M1-Y77 HydrophobicContact CE-CE2 3.78Å; M1-Y77 WeakPolarHBondContact CE-OH 3.32Å | |||
| 2 | D | 76 | Confident | 85.6 | Confident | 136 Ų | 136 | 82.8 Ų | 82.8 | 73% | 0.727 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -28.9 | -175.1 | -50.2 | -59.2 | 0 | 0 | 0 | 113.1 | K24 | D2-K24 VanDerWaalsContact O-CD 3.25Å; D2-K24 WeakPolarHBondContact O-CD 3.32Å; D2-K24 VanDerWaalsContact O-CE 3.25Å; D2-K24 WeakPolarHBondContact O-CE 3.39Å; D2-K24 PolarHBondContact O-NZ 3.25Å |
| 3 | T | 84.7 | Confident | 84.4 | Confident | 66 Ų | 66 | 79.5 Ų | 79.5 | 41% | 0.405 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -21.5 | 178.8 | -33.7 | 0 | 0 | 0 | 0 | 114.8 | M1 K24 V25 | M1-T3 PolarHBondContact O-N 2.86Å; T3-K24 PolarHBondContact O-N 2.83Å; T3-V25 HydrophobicContact CG2-CG2 4.18Å |
| 4 | F | 90.4 | Very high | 83.1 | Confident | 17 Ų | 17 | 81.9 Ų | 81.9 | 8% | 0.075 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.5 | -174 | -63.8 | -83 | 0 | 0 | 0 | 112.2 | M1 A21 K22 N23 V30 L32 I70 V79 | M1-F4 PolarHBondContact O-N 3.27Å; M1-F4 VanDerWaalsContact O-O 3.09Å; F4-A21 HydrophobicContact CB-CB 4.49Å; F4-K22 WeakPolarHBondContact CA-O 3.44Å; F4-N23 HydrophobicContact CD1-CB 4.04Å; F4-N23 HydrophobicContact CE1-CB 3.78Å; F4-V30 HydrophobicContact CD1-CG2 3.69Å; F4-V30 HydrophobicContact CE1-CG1 4.37Å; F4-V30 HydrophobicContact CE1-CG2 3.71Å; F4-L32 HydrophobicContact CB-CD1 3.84Å; F4-L32 HydrophobicContact CG-CD1 4.2Å; F4-L32 HydrophobicContact CG-CD2 4.39Å; F4-I70 HydrophobicContact CD2-CD1 3.81Å; F4-I70 HydrophobicContact CE2-CD1 3.6Å; F4-V79 HydrophobicContact CE1-CG1 4Å; F4-V79 HydrophobicContact CE2-CG2 4.26Å; F4-V79 HydrophobicContact CZ-CG1 3.89Å; F4-V79 HydrophobicContact CZ-CG2 4.21Å |
| 5 | Q | 92.4 | Very high | 82.2 | Confident | 116 Ų | 116 | 82 Ų | 82 | 54% | 0.542 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 115 | 171.1 | -176.3 | 179.3 | 8.7 | 0 | 0 | 109.3 | V7 A21 K22 K24 | Q5-V7 PolarHBondContact O-N 3.24Å; Q5-A21 CarbonylContact O-C 3.57Å; Q5-A21 WeakPolarHBondContact O-CA 3.18Å; Q5-A21 WeakPolarHBondContact O-CB 3.47Å; Q5-K22 PolarHBondContact N-O 3.37Å; Q5-K22 PolarHBondContact O-N 2.81Å; Q5-K24 HydrophobicContact CB-CG 4.21Å |
| 6 | K | 91.8 | Very high | 82 | Confident | 80 Ų | 80 | 77 Ų | 77 | 35% | 0.348 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 133.6 | 172.5 | -67.2 | -178.5 | -178.2 | -179.7 | 0 | 109.7 | Y19 | K6-Y19 HydrophobicContact CD-CD1 4.2Å; K6-Y19 HydrophobicContact CD-CG 4.21Å |
| 7 | V | 92.4 | Very high | 82.3 | Confident | 90 Ų | 90 | 73.5 Ų | 73.5 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | -60.2 | 178.7 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | Q5 K20 | Q5-V7 PolarHBondContact O-N 3.24Å; V7-K20 HydrophobicContact CB-CG 4.44Å; V7-K20 WeakPolarHBondContact CB-O 2.89Å; V7-K20 PolarHBondContact N-O 2.72Å |
| 8 | E | 93.3 | Very high | 82.8 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 157.2 | -175.3 | 60 | -176.2 | 148.7 | 0 | 0 | 111.2 | I10 Y19 K20 | E8-I10 HydrophobicContact CG-CG2 3.84Å; E8-Y19 CarbonylContact O-C 3.43Å; E8-Y19 VanDerWaalsContact O-CA 3.26Å; E8-Y19 WeakPolarHBondContact O-CA 3.26Å; E8-K20 HydrophobicContact CG-CB 3.85Å; E8-K20 HydrophobicContact CG-CD 4.01Å; E8-K20 PolarHBondContact N-O 2.85Å; E8-K20 PolarHBondContact O-N 3.35Å; E8-K20 WeakPolarHBondContact OE1-CD 3.44Å; E8-K20 IonicContact OE1-NZ 3.72Å; E8-K20 PolarHBondContact OE1-NZ 2.88Å |
| 9 | K | 92.8 | Very high | 83.4 | Confident | 113 Ų | 113 | 70.1 Ų | 70.1 | 49% | 0.491 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 122 | 170.5 | 177.3 | -178.4 | 170.3 | -173.1 | 0 | 108.2 | E12 V17 Y19 | K9-E12 WeakPolarHBondContact CE-OE2 3.38Å; K9-E12 IonicContact NZ-OE2 3.56Å; K9-E12 PolarHBondContact NZ-OE2 3.04Å; K9-V17 HydrophobicContact CD-CG1 3.88Å; K9-V17 HydrophobicContact CG-CG1 3.82Å; K9-Y19 HydrophobicContact CB-CD1 4.02Å; K9-Y19 HydrophobicContact CB-CE1 4.01Å; K9-Y19 HydrophobicContact CG-CE1 4.39Å |
| 10 | I | 88.3 | Confident | 83.9 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 30% | 0.297 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | -13.6 | -176.2 | 61.2 | 176.5 | 0 | 0 | 0 | 113.6 | E8 V18 K20 A31 F82 | E8-I10 HydrophobicContact CG-CG2 3.84Å; I10-V18 HydrophobicContact CD1-CG1 3.8Å; I10-V18 HydrophobicContact CG1-CB 4.05Å; I10-V18 HydrophobicContact CG1-CG1 3.72Å; I10-V18 PolarHBondContact N-O 2.9Å; I10-K20 HydrophobicContact CD1-CB 4.35Å; I10-K20 HydrophobicContact CG2-CB 3.71Å; I10-A31 HydrophobicContact CD1-CB 4.46Å; I10-F82 HydrophobicContact CD1-CD2 4.34Å; I10-F82 HydrophobicContact CD1-CE2 3.95Å |
| 11 | G | 82.8 | Confident | 84.5 | Confident | 26 Ų | 26 | 66 Ų | 66 | 27% | 0.268 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.8 | 158.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V18 | G11-V18 PolarHBondContact N-O 3.34Å; G11-V18 PolarHBondContact O-N 2.66Å |
| 12 | E | 81.8 | Confident | 86.2 | Confident | 111 Ų | 111 | 66.5 Ų | 66.5 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 131.7 | 169.6 | 179.1 | 173.4 | 164.8 | 0 | 0 | 107.8 | K9 V17 R36 | K9-E12 WeakPolarHBondContact CE-OE2 3.38Å; K9-E12 IonicContact NZ-OE2 3.56Å; K9-E12 PolarHBondContact NZ-OE2 3.04Å; E12-V17 HydrophobicContact CG-CG2 4.2Å; E12-R36 IonicContact OE1-CZ 2.73Å; E12-R36 IonicContact OE1-NH2 3.34Å; E12-R36 PolarHBondContact OE1-NH2 3.39Å |
| 13 | G | 69.6 | Low | 87 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | -176.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y15 G16 | G13-Y15 PolarHBondContact O-N 3.14Å; G13-Y15 VanDerWaalsContact O-N 3.11Å; G13-G16 PolarHBondContact N-O 2.69Å; G13-G16 PolarHBondContact O-N 2.66Å |
| 14 | T | 66.6 | Low | 87.4 | Confident | 113 Ų | 113 | 64 Ų | 64 | 69% | 0.693 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -40.8 | -178.6 | -46.3 | 0 | 0 | 0 | 0 | 112.5 | ||
| 15 | Y | 70 | Confident | 87.4 | Confident | 83 Ų | 83 | 69 Ų | 69 | 33% | 0.325 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -3.9 | -173.8 | -49.9 | -67.2 | 0 | 0 | 0 | 114.3 | G13 I35 R36 A149 | G13-Y15 PolarHBondContact O-N 3.14Å; G13-Y15 VanDerWaalsContact O-N 3.11Å; Y15-I35 WeakPolarHBondContact O-CA 3.34Å; Y15-R36 PolarHBondContact O-N 3.28Å; Y15-A149 HydrophobicContact CE1-CB 4.39Å |
| 16 | G | 78.9 | Confident | 87.4 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.5 | -156.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | G13 K34 | G13-G16 PolarHBondContact N-O 2.69Å; G13-G16 PolarHBondContact O-N 2.66Å; G16-K34 WeakPolarHBondContact CA-O 3.44Å |
| 17 | V | 87 | Confident | 87.5 | Confident | 18 Ų | 18 | 65.5 Ų | 65.5 | 11% | 0.109 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.2 | -166.6 | -173.1 | 0 | 0 | 0 | 0 | 110.2 | K9 E12 Y19 K34 | K9-V17 HydrophobicContact CD-CG1 3.88Å; K9-V17 HydrophobicContact CG-CG1 3.82Å; E12-V17 HydrophobicContact CG-CG2 4.2Å; V17-Y19 HydrophobicContact CB-CE2 3.84Å; V17-Y19 HydrophobicContact CG1-CD2 4.22Å; V17-Y19 HydrophobicContact CG1-CE1 4.08Å; V17-Y19 HydrophobicContact CG1-CE2 3.55Å; V17-Y19 VanDerWaalsContact CG1-CZ 3.46Å; V17-K34 PolarHBondContact N-O 3.41Å; V17-K34 PolarHBondContact O-N 3.3Å |
| 18 | V | 90.6 | Very high | 87.5 | Confident | 30 Ų | 30 | 64.8 Ų | 64.8 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 128.9 | 178.2 | -168 | 0 | 0 | 0 | 0 | 109.7 | I10 G11 A31 L32 K33 | I10-V18 HydrophobicContact CD1-CG1 3.8Å; I10-V18 HydrophobicContact CG1-CB 4.05Å; I10-V18 HydrophobicContact CG1-CG1 3.72Å; I10-V18 PolarHBondContact N-O 2.9Å; G11-V18 PolarHBondContact N-O 3.34Å; G11-V18 PolarHBondContact O-N 2.66Å; V18-A31 HydrophobicContact CG1-CB 4.26Å; V18-L32 WeakPolarHBondContact CA-O 3.46Å; V18-K33 HydrophobicContact CG2-CB 4.28Å; V18-K33 HydrophobicContact CG2-CD 4.16Å; V18-K33 HydrophobicContact CG2-CG 4Å |
| 19 | Y | 93.8 | Very high | 87.6 | Confident | 51 Ų | 51 | 63 Ų | 63 | 20% | 0.2 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 139.3 | 176.5 | -59.2 | -88.9 | 0 | 0 | 0 | 110.1 | K6 E8 K9 V17 A31 L32 K34 | K6-Y19 HydrophobicContact CD-CD1 4.2Å; K6-Y19 HydrophobicContact CD-CG 4.21Å; E8-Y19 CarbonylContact O-C 3.43Å; E8-Y19 VanDerWaalsContact O-CA 3.26Å; E8-Y19 WeakPolarHBondContact O-CA 3.26Å; K9-Y19 HydrophobicContact CB-CD1 4.02Å; K9-Y19 HydrophobicContact CB-CE1 4.01Å; K9-Y19 HydrophobicContact CG-CE1 4.39Å; V17-Y19 HydrophobicContact CB-CE2 3.84Å; V17-Y19 HydrophobicContact CG1-CD2 4.22Å; V17-Y19 HydrophobicContact CG1-CE1 4.08Å; V17-Y19 HydrophobicContact CG1-CE2 3.55Å; V17-Y19 VanDerWaalsContact CG1-CZ 3.46Å; Y19-A31 CarbonylContact O-C 3.5Å; Y19-A31 WeakPolarHBondContact O-CA 3.42Å; Y19-L32 PolarHBondContact N-O 2.99Å; Y19-L32 PolarHBondContact O-N 3.42Å; Y19-K34 HydrophobicContact CE2-CB 4.34Å |
| 20 | K | 94.8 | Very high | 87.8 | Confident | 54 Ų | 54 | 57.7 Ų | 57.7 | 24% | 0.235 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 133.1 | 158.3 | -177.8 | -176.7 | -177.9 | 179 | 0 | 107.8 | V7 E8 I10 T29 F82 | V7-K20 HydrophobicContact CB-CG 4.44Å; V7-K20 WeakPolarHBondContact CB-O 2.89Å; V7-K20 PolarHBondContact N-O 2.72Å; E8-K20 HydrophobicContact CG-CB 3.85Å; E8-K20 HydrophobicContact CG-CD 4.01Å; E8-K20 PolarHBondContact N-O 2.85Å; E8-K20 PolarHBondContact O-N 3.35Å; E8-K20 WeakPolarHBondContact OE1-CD 3.44Å; E8-K20 IonicContact OE1-NZ 3.72Å; E8-K20 PolarHBondContact OE1-NZ 2.88Å; I10-K20 HydrophobicContact CD1-CB 4.35Å; I10-K20 HydrophobicContact CG2-CB 3.71Å; K20-T29 HydrophobicContact CD-CG2 4.35Å; K20-T29 HydrophobicContact CG-CG2 3.76Å; K20-F82 HydrophobicContact CB-CE2 4.14Å; K20-F82 HydrophobicContact CD-CE2 3.96Å; K20-F82 HydrophobicContact CD-CZ 3.99Å; K20-F82 HydrophobicContact CG-CD2 4.12Å; K20-F82 HydrophobicContact CG-CE2 3.83Å; K20-F82 HydrophobicContact CG-CZ 4.32Å |
| 21 | A | 95.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 160.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | F4 Q5 T29 V30 L32 | F4-A21 HydrophobicContact CB-CB 4.49Å; Q5-A21 CarbonylContact O-C 3.57Å; Q5-A21 WeakPolarHBondContact O-CA 3.18Å; Q5-A21 WeakPolarHBondContact O-CB 3.47Å; A21-T29 CarbonylContact O-C 3.37Å; A21-T29 WeakPolarHBondContact O-CA 3.45Å; A21-V30 HydrophobicContact CB-CG2 4.05Å; A21-V30 PolarHBondContact N-O 2.85Å; A21-V30 PolarHBondContact O-N 3.22Å; A21-L32 HydrophobicContact CB-CD1 3.36Å; A21-L32 HydrophobicContact CB-CG 3.75Å |
| 22 | K | 95.9 | Very high | 88.6 | Confident | 99 Ų | 99 | 54.4 Ų | 54.4 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 128.9 | 174.4 | -160 | 174 | -174 | 178.7 | 0 | 109.2 | F4 Q5 K24 G27 E28 | F4-K22 WeakPolarHBondContact CA-O 3.44Å; Q5-K22 PolarHBondContact N-O 3.37Å; Q5-K22 PolarHBondContact O-N 2.81Å; K22-K24 PolarHBondContact O-N 2.85Å; K22-G27 WeakPolarHBondContact CE-O 3.39Å; K22-G27 WeakPolarHBondContact CG-O 3.49Å; K22-E28 CarbonylContact C-O 3.55Å; K22-E28 WeakPolarHBondContact CA-O 3.25Å |
| 23 | N | 93.4 | Very high | 88.9 | Confident | 24 Ų | 24 | 49.6 Ų | 49.6 | 13% | 0.128 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 121.8 | 168.1 | -175.4 | -37 | 0 | 0 | 0 | 108 | F4 V25 T26 G27 E28 | F4-N23 HydrophobicContact CD1-CB 4.04Å; F4-N23 HydrophobicContact CE1-CB 3.78Å; N23-V25 VanDerWaalsContact C-N 3.26Å; N23-V25 PolarHBondContact O-N 3.05Å; N23-V25 WeakPolarHBondContact OD1-CB 3.42Å; N23-V25 PolarHBondContact OD1-N 3.35Å; N23-T26 VanDerWaalsContact CB-OG1 3.32Å; N23-T26 WeakPolarHBondContact CB-OG1 3.47Å; N23-T26 VanDerWaalsContact CG-OG1 3.28Å; N23-T26 PolarHBondContact OD1-N 3.29Å; N23-G27 WeakPolarHBondContact O-CA 3.23Å; N23-G27 PolarHBondContact O-N 3.05Å; N23-E28 PolarHBondContact N-O 3.29Å |
| 24 | K | 92.9 | Very high | 89.8 | Confident | 124 Ų | 124 | 51.1 Ų | 51.1 | 54% | 0.539 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -22.5 | -175.9 | -62.5 | -172.7 | -166.1 | 161.8 | 0 | 113.1 | D2 T3 Q5 K22 | D2-K24 VanDerWaalsContact O-CD 3.25Å; D2-K24 WeakPolarHBondContact O-CD 3.32Å; D2-K24 VanDerWaalsContact O-CE 3.25Å; D2-K24 WeakPolarHBondContact O-CE 3.39Å; D2-K24 PolarHBondContact O-NZ 3.25Å; T3-K24 PolarHBondContact O-N 2.83Å; Q5-K24 HydrophobicContact CB-CG 4.21Å; K22-K24 PolarHBondContact O-N 2.85Å |
| 25 | V | 91.3 | Very high | 90.6 | Very high | 123 Ų | 123 | 46 Ų | 46 | 75% | 0.745 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -51.1 | -179.7 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | T3 N23 | T3-V25 HydrophobicContact CG2-CG2 4.18Å; N23-V25 VanDerWaalsContact C-N 3.26Å; N23-V25 PolarHBondContact O-N 3.05Å; N23-V25 WeakPolarHBondContact OD1-CB 3.42Å; N23-V25 PolarHBondContact OD1-N 3.35Å |
| 26 | T | 93 | Very high | 90.8 | Very high | 87 Ų | 87 | 48.4 Ų | 48.4 | 53% | 0.534 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -14 | -175.4 | 65.5 | 0 | 0 | 0 | 0 | 113.5 | N23 E28 | N23-T26 VanDerWaalsContact CB-OG1 3.32Å; N23-T26 WeakPolarHBondContact CB-OG1 3.47Å; N23-T26 VanDerWaalsContact CG-OG1 3.28Å; N23-T26 PolarHBondContact OD1-N 3.29Å; T26-E28 PolarHBondContact O-N 3.41Å; T26-E28 VanDerWaalsContact OG1-CB 3.26Å; T26-E28 WeakPolarHBondContact OG1-CB 3.25Å; T26-E28 PolarHBondContact OG1-N 3.03Å |
| 27 | G | 92.6 | Very high | 90.4 | Very high | 36 Ų | 36 | 50.3 Ų | 50.3 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | trans | 72.5 | 2.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | K22 N23 | K22-G27 WeakPolarHBondContact CE-O 3.39Å; K22-G27 WeakPolarHBondContact CG-O 3.49Å; N23-G27 WeakPolarHBondContact O-CA 3.23Å; N23-G27 PolarHBondContact O-N 3.05Å | ||
| 28 | E | 93.8 | Very high | 89.3 | Confident | 74 Ų | 74 | 56 Ų | 56 | 35% | 0.346 | 29% | 0.287 | S | S | . | . | trans | -79.2 | 142.2 | -172 | -171.1 | 176.3 | -162.9 | 0 | 0 | 113.2 | K22 N23 T26 R67 | K22-E28 CarbonylContact C-O 3.55Å; K22-E28 WeakPolarHBondContact CA-O 3.25Å; N23-E28 PolarHBondContact N-O 3.29Å; T26-E28 PolarHBondContact O-N 3.41Å; T26-E28 VanDerWaalsContact OG1-CB 3.26Å; T26-E28 WeakPolarHBondContact OG1-CB 3.25Å; T26-E28 PolarHBondContact OG1-N 3.03Å; E28-R67 IonicContact OE1-CZ 3.42Å; E28-R67 IonicContact OE1-NH1 2.71Å; E28-R67 PolarHBondContact OE1-NH1 2.76Å; E28-R67 IonicContact OE1-NH2 2.66Å; E28-R67 PolarHBondContact OE1-NH2 3.21Å; E28-R67 IonicContact OE2-CZ 2.74Å; E28-R67 IonicContact OE2-NH1 2.86Å; E28-R67 PolarHBondContact OE2-NH1 3.32Å | ||
| 29 | T | 95.3 | Very high | 87.5 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 35% | 0.35 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 130.3 | 174 | -54 | 0 | 0 | 0 | 0 | 110.9 | K20 A21 F82 | K20-T29 HydrophobicContact CD-CG2 4.35Å; K20-T29 HydrophobicContact CG-CG2 3.76Å; A21-T29 CarbonylContact O-C 3.37Å; A21-T29 WeakPolarHBondContact O-CA 3.45Å; T29-F82 HydrophobicContact CG2-CB 3.93Å; T29-F82 HydrophobicContact CG2-CD1 3.8Å; T29-F82 HydrophobicContact CG2-CD2 4.21Å; T29-F82 HydrophobicContact CG2-CE1 4.39Å; T29-F82 HydrophobicContact CG2-CG 3.7Å; T29-F82 WeakPolarHBondContact O-CB 3.43Å |
| 30 | V | 95.4 | Very high | 85.6 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 160.3 | -179.2 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | F4 A21 L32 V79 F80 | F4-V30 HydrophobicContact CD1-CG2 3.69Å; F4-V30 HydrophobicContact CE1-CG1 4.37Å; F4-V30 HydrophobicContact CE1-CG2 3.71Å; A21-V30 HydrophobicContact CB-CG2 4.05Å; A21-V30 PolarHBondContact N-O 2.85Å; A21-V30 PolarHBondContact O-N 3.22Å; V30-L32 HydrophobicContact CG2-CD2 4.34Å; V30-L32 HydrophobicContact CG2-CG 4.23Å; V30-V79 HydrophobicContact CB-CG1 3.95Å; V30-V79 HydrophobicContact CG1-CG1 4.1Å; V30-V79 HydrophobicContact CG2-CG1 4.04Å; V30-F80 WeakPolarHBondContact CB-O 3.46Å |
| 31 | A | 94.8 | Very high | 83.6 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 10% | 0.099 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 119.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | I10 V18 Y19 F80 F82 | I10-A31 HydrophobicContact CD1-CB 4.46Å; V18-A31 HydrophobicContact CG1-CB 4.26Å; Y19-A31 CarbonylContact O-C 3.5Å; Y19-A31 WeakPolarHBondContact O-CA 3.42Å; A31-F80 HydrophobicContact CB-CB 4.29Å; A31-F80 PolarHBondContact N-O 2.89Å; A31-F80 PolarHBondContact O-N 3.2Å; A31-F82 HydrophobicContact CB-CD2 4.5Å |
| 32 | L | 92.8 | Very high | 81.8 | Confident | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.01 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 107.9 | 175.9 | -69.3 | 180 | 0 | 0 | 0 | 110.1 | F4 V18 Y19 A21 V30 L78 V79 | F4-L32 HydrophobicContact CB-CD1 3.84Å; F4-L32 HydrophobicContact CG-CD1 4.2Å; F4-L32 HydrophobicContact CG-CD2 4.39Å; V18-L32 WeakPolarHBondContact CA-O 3.46Å; Y19-L32 PolarHBondContact N-O 2.99Å; Y19-L32 PolarHBondContact O-N 3.42Å; A21-L32 HydrophobicContact CB-CD1 3.36Å; A21-L32 HydrophobicContact CB-CG 3.75Å; V30-L32 HydrophobicContact CG2-CD2 4.34Å; V30-L32 HydrophobicContact CG2-CG 4.23Å; L32-L78 WeakPolarHBondContact CA-O 3.17Å; L32-V79 HydrophobicContact CD2-CB 4.06Å; L32-V79 HydrophobicContact CD2-CG1 3.93Å; L32-V79 HydrophobicContact CD2-CG2 3.51Å |
| 33 | K | 89.5 | Confident | 80.2 | Confident | 10 Ų | 10 | 76.5 Ų | 76.5 | 4% | 0.043 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 107.9 | 173.6 | -172.6 | 164.3 | -176.1 | 166.4 | 0 | 109.7 | V18 I35 Y77 L78 F80 D145 L148 | V18-K33 HydrophobicContact CG2-CB 4.28Å; V18-K33 HydrophobicContact CG2-CD 4.16Å; V18-K33 HydrophobicContact CG2-CG 4Å; K33-I35 HydrophobicContact CD-CD1 4.47Å; K33-I35 HydrophobicContact CG-CD1 4.1Å; K33-Y77 WeakPolarHBondContact O-CA 3.4Å; K33-L78 HydrophobicContact CB-CB 4.38Å; K33-L78 PolarHBondContact N-O 2.83Å; K33-L78 PolarHBondContact O-N 2.82Å; K33-F80 HydrophobicContact CB-CD2 4.4Å; K33-F80 HydrophobicContact CB-CE2 4.08Å; K33-F80 HydrophobicContact CD-CE2 4.43Å; K33-D145 IonicContact NZ-OD1 2.6Å; K33-D145 PolarHBondContact NZ-OD1 2.82Å; K33-D145 IonicContact NZ-OD2 3.64Å; K33-D145 PolarHBondContact NZ-OD2 3.47Å; K33-L148 HydrophobicContact CD-CD1 4.24Å |
| 34 | K | 88.1 | Confident | 78.8 | Confident | 72 Ų | 72 | 76 Ų | 76 | 31% | 0.313 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 115.7 | 170.7 | -173.5 | -170.6 | 177.6 | -162.9 | 0 | 108.4 | G16 V17 Y19 Y77 | G16-K34 WeakPolarHBondContact CA-O 3.44Å; V17-K34 PolarHBondContact N-O 3.41Å; V17-K34 PolarHBondContact O-N 3.3Å; Y19-K34 HydrophobicContact CE2-CB 4.34Å; K34-Y77 HydrophobicContact CB-CD1 3.84Å; K34-Y77 HydrophobicContact CB-CE1 3.5Å; K34-Y77 VanDerWaalsContact CB-CE1 3.5Å; K34-Y77 HydrophobicContact CD-CE1 4.08Å; K34-Y77 HydrophobicContact CG-CD1 4.15Å; K34-Y77 HydrophobicContact CG-CE1 3.53Å |
| 35 | I | 83.1 | Confident | 77.3 | Confident | 7 Ų | 7 | 72.9 Ų | 72.9 | 4% | 0.036 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 136.2 | 176.8 | -54.7 | -61.7 | 0 | 0 | 0 | 109.5 | Y15 K33 L37 L76 L78 F152 | Y15-I35 WeakPolarHBondContact O-CA 3.34Å; K33-I35 HydrophobicContact CD-CD1 4.47Å; K33-I35 HydrophobicContact CG-CD1 4.1Å; I35-L37 HydrophobicContact CG2-CD2 4.24Å; I35-L76 HydrophobicContact CB-CB 4.26Å; I35-L76 HydrophobicContact CB-CD2 4.42Å; I35-L76 HydrophobicContact CG1-CB 4.44Å; I35-L76 HydrophobicContact CG1-CD2 4.08Å; I35-L76 HydrophobicContact CG1-CG 4.28Å; I35-L76 PolarHBondContact N-O 2.9Å; I35-L78 HydrophobicContact CD1-CD1 3.96Å; I35-L78 HydrophobicContact CD1-CG 4.23Å; I35-L78 HydrophobicContact CG1-CD1 4.39Å; I35-L78 HydrophobicContact CG1-CG 4.2Å; I35-F152 HydrophobicContact CB-CZ 4.35Å; I35-F152 HydrophobicContact CD1-CE2 4.16Å; I35-F152 HydrophobicContact CD1-CZ 4.1Å; I35-F152 HydrophobicContact CG1-CE2 4.4Å; I35-F152 HydrophobicContact CG1-CZ 3.85Å; I35-F152 HydrophobicContact CG2-CD1 4.47Å; I35-F152 HydrophobicContact CG2-CE1 3.92Å; I35-F152 HydrophobicContact CG2-CE2 4.13Å; I35-F152 HydrophobicContact CG2-CZ 3.74Å |
| 36 | R | 74.8 | Confident | 76.1 | Confident | 132 Ų | 132 | 71.7 Ų | 71.7 | 50% | 0.498 | 40% | 0.404 | S | S | . | . | trans | -76.2 | 124.5 | 167.6 | -78.4 | 173.8 | -177.3 | -176.5 | 1.4 | 108.3 | E12 Y15 | E12-R36 IonicContact OE1-CZ 2.73Å; E12-R36 IonicContact OE1-NH2 3.34Å; E12-R36 PolarHBondContact OE1-NH2 3.39Å; Y15-R36 PolarHBondContact O-N 3.28Å | ||
| 37 | L | 70.6 | Confident | 74.6 | Confident | 43 Ų | 43 | 71.5 Ų | 71.5 | 23% | 0.225 | 40% | 0.403 | C | S | . | . | trans | -110.4 | 126.3 | 174.2 | -60.8 | 169.4 | 0 | 0 | 0 | 106.2 | I35 T39 V44 L76 | I35-L37 HydrophobicContact CG2-CD2 4.24Å; L37-T39 PolarHBondContact O-N 3.01Å; L37-V44 HydrophobicContact CD1-CG2 3.47Å; L37-V44 VanDerWaalsContact CD1-CG2 3.47Å; L37-V44 HydrophobicContact CD2-CB 4.37Å; L37-V44 HydrophobicContact CD2-CG2 3.41Å; L37-V44 VanDerWaalsContact CD2-CG2 3.41Å; L37-V44 HydrophobicContact CG-CG2 4.07Å; L37-L76 HydrophobicContact CD1-CB 4.49Å | ||
| 38 | D | 63.2 | Low | 73.3 | Confident | 136 Ų | 136 | 69.8 Ų | 69.8 | 73% | 0.727 | 39% | 0.385 | S | S | * | . | trans | -67.9 | 113.4 | 169.8 | -76.8 | -21.2 | 0 | 0 | 0 | 106.7 | E40 | D38-E40 PolarHBondContact O-N 3.13Š| ||
| 39 | T | 53.5 | Low | 72.1 | Confident | 130 Ų | 130 | 68.6 Ų | 68.6 | 80% | 0.798 | 38% | 0.381 | S | S | * | . | trans | -73.1 | 14.2 | -167.6 | 28.4 | 0 | 0 | 0 | 0 | 115.1 | L37 T41 | L37-T39 PolarHBondContact O-N 3.01Å; T39-T41 PolarHBondContact O-N 2.88Å | ||
| 40 | E | 52.8 | Low | 70.7 | Confident | 172 Ų | 172 | 75 Ų | 75 | 80% | 0.804 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -92.3 | 87.7 | 179 | -63.9 | -160.1 | 170.3 | 0 | 0 | 110.4 | D38 | D38-E40 PolarHBondContact O-N 3.13Š|
| 41 | T | 52.9 | Low | 69.2 | Low | 138 Ų | 138 | 79.1 Ų | 79.1 | 85% | 0.847 | 42% | 0.417 | S | S | * | . | S | Bend | trans | 97.9 | -29.6 | 148.7 | 64 | 0 | 0 | 0 | 0 | 121.9 | T39 | T39-T41 PolarHBondContact O-N 2.88Š|
| 42 | E | 58.1 | Low | 68.2 | Low | 177 Ų | 177 | 78.5 Ų | 78.5 | 83% | 0.827 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -128.5 | 9.2 | -170.3 | -68.3 | -165.2 | 160.8 | 0 | 0 | 118.2 | ||
| 43 | G | 62.2 | Low | 66.9 | Low | 48 Ų | 48 | 80.8 Ų | 80.8 | 50% | 0.495 | 43% | 0.429 | S | S | . | . | trans | 64.5 | -154.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 44 | V | 63.7 | Low | 65.7 | Low | 13 Ų | 13 | 84.6 Ų | 84.6 | 8% | 0.079 | 45% | 0.449 | C | S | . | . | S | Bend | trans | -84.1 | 124.9 | 176.5 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | L37 S46 A48 I49 L76 F152 | L37-V44 HydrophobicContact CD1-CG2 3.47Å; L37-V44 VanDerWaalsContact CD1-CG2 3.47Å; L37-V44 HydrophobicContact CD2-CB 4.37Å; L37-V44 HydrophobicContact CD2-CG2 3.41Å; L37-V44 VanDerWaalsContact CD2-CG2 3.41Å; L37-V44 HydrophobicContact CG-CG2 4.07Å; V44-S46 PolarHBondContact O-N 2.84Å; V44-A48 HydrophobicContact CG1-CB 3.96Å; V44-I49 HydrophobicContact CB-CD1 4.39Å; V44-I49 HydrophobicContact CB-CG1 4.36Å; V44-I49 HydrophobicContact CG1-CD1 4.42Å; V44-I49 HydrophobicContact CG1-CG1 3.87Å; V44-L76 HydrophobicContact CG1-CD2 4.12Å; V44-L76 HydrophobicContact CG2-CB 3.99Å; V44-L76 HydrophobicContact CG2-CD2 4.25Å; V44-F152 HydrophobicContact CG1-CD1 4.35Å; V44-F152 HydrophobicContact CG1-CE1 4.13Å |
| 45 | P | 63 | Low | 64.8 | Low | 59 Ų | 59 | 83 Ų | 83 | 38% | 0.383 | 44% | 0.444 | S | S | . | . | trans | -54.7 | 136.1 | 175.2 | -24.9 | 33.3 | 0 | 0 | 0 | 111.5 | T47 A48 I49 | P45-T47 WeakPolarHBondContact CB-OG1 3.25Å; P45-T47 PolarHBondContact O-N 3.22Å; P45-A48 HydrophobicContact CB-CB 4.35Å; P45-A48 WeakPolarHBondContact O-CB 3.45Å; P45-A48 PolarHBondContact O-N 2.72Å; P45-I49 PolarHBondContact O-N 3.32Å | ||
| 46 | S | 65 | Low | 64.5 | Low | 98 Ų | 98 | 87.5 Ų | 87.5 | 69% | 0.685 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.2 | -29.2 | 178.1 | 58.4 | 0 | 0 | 0 | 0 | 112.5 | V44 I49 R50 | V44-S46 PolarHBondContact O-N 2.84Å; S46-I49 PolarHBondContact O-N 2.9Å; S46-R50 WeakPolarHBondContact O-CB 3.37Å; S46-R50 PolarHBondContact O-N 3.46Å |
| 47 | T | 61.9 | Low | 64.5 | Low | 84 Ų | 84 | 88.1 Ų | 88.1 | 52% | 0.515 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 171.2 | 49.8 | 0 | 0 | 0 | 0 | 112.2 | P45 R50 E51 | P45-T47 WeakPolarHBondContact CB-OG1 3.25Å; P45-T47 PolarHBondContact O-N 3.22Å; T47-R50 WeakPolarHBondContact O-CB 3.37Å; T47-R50 PolarHBondContact O-N 3.4Å; T47-E51 PolarHBondContact O-N 3.43Å |
| 48 | A | 65.5 | Low | 65 | Low | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -66.3 | -42.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V44 P45 R50 E51 I52 A151 F152 | V44-A48 HydrophobicContact CG1-CB 3.96Å; P45-A48 HydrophobicContact CB-CB 4.35Å; P45-A48 WeakPolarHBondContact O-CB 3.45Å; P45-A48 PolarHBondContact O-N 2.72Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.24Å; A48-E51 PolarHBondContact O-N 3.25Å; A48-I52 WeakPolarHBondContact O-CB 3.41Å; A48-I52 VanDerWaalsContact O-CD1 3.26Å; A48-I52 WeakPolarHBondContact O-CD1 3.43Å; A48-I52 WeakPolarHBondContact O-CG1 3.36Å; A48-I52 PolarHBondContact O-N 2.9Å; A48-A151 WeakPolarHBondContact CA-O 3.4Å; A48-A151 WeakPolarHBondContact CB-O 3.48Å; A48-F152 HydrophobicContact CB-CD1 3.83Å; A48-F152 HydrophobicContact CB-CE1 4.3Å |
| 49 | I | 69 | Low | 66.2 | Low | 49 Ų | 49 | 84.1 Ų | 84.1 | 25% | 0.251 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.4 | -40 | 174.9 | -59.8 | 172.7 | 0 | 0 | 0 | 110.3 | V44 P45 S46 S53 H71 | V44-I49 HydrophobicContact CB-CD1 4.39Å; V44-I49 HydrophobicContact CB-CG1 4.36Å; V44-I49 HydrophobicContact CG1-CD1 4.42Å; V44-I49 HydrophobicContact CG1-CG1 3.87Å; P45-I49 PolarHBondContact O-N 3.32Å; S46-I49 PolarHBondContact O-N 2.9Å; I49-S53 WeakPolarHBondContact O-CB 3.25Å; I49-S53 PolarHBondContact O-N 3.18Å; I49-S53 PolarHBondContact O-OG 3.46Å; I49-H71 WeakPolarHBondContact CD1-ND1 3.5Å |
| 50 | R | 64.8 | Low | 68.2 | Low | 192 Ų | 192 | 79.9 Ų | 79.9 | 73% | 0.725 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -64 | -47.6 | 176.2 | -172.9 | 177.1 | -177.7 | 171.1 | 0.8 | 111.8 | S46 T47 A48 I52 S53 L54 | S46-R50 WeakPolarHBondContact O-CB 3.37Å; S46-R50 PolarHBondContact O-N 3.46Å; T47-R50 WeakPolarHBondContact O-CB 3.37Å; T47-R50 PolarHBondContact O-N 3.4Å; A48-R50 VanDerWaalsContact C-N 3.26Å; A48-R50 PolarHBondContact O-N 3.24Å; R50-I52 VanDerWaalsContact C-N 3.34Å; R50-I52 PolarHBondContact O-N 3.01Å; R50-S53 WeakPolarHBondContact O-CB 3.41Å; R50-S53 PolarHBondContact O-N 3.39Å; R50-S53 VanDerWaalsContact O-N 3.13Å; R50-L54 WeakPolarHBondContact O-CG 3.32Å; R50-L54 PolarHBondContact O-N 3.4Å |
| 51 | E | 64.6 | Low | 70.3 | Confident | 87 Ų | 87 | 75.9 Ų | 75.9 | 41% | 0.407 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.2 | -37.8 | 178.4 | -73.2 | -169.4 | -147.5 | 0 | 0 | 112.5 | T47 A48 S53 L54 L55 A151 | T47-E51 PolarHBondContact O-N 3.43Å; A48-E51 PolarHBondContact O-N 3.25Å; E51-S53 VanDerWaalsContact C-N 3.33Å; E51-L54 WeakPolarHBondContact O-CB 3.19Å; E51-L54 PolarHBondContact O-N 3.28Å; E51-L55 PolarHBondContact O-N 3.04Å; E51-A151 HydrophobicContact CB-CB 3.54Å; E51-A151 WeakPolarHBondContact OE2-CA 3.48Å; E51-A151 PolarHBondContact OE2-N 2.85Å |
| 52 | I | 72.3 | Confident | 72.4 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -67 | -37.1 | 172.8 | -65.6 | 160.4 | 0 | 0 | 0 | 111.1 | A48 R50 L54 L55 L66 V69 L76 L78 A151 F152 | A48-I52 WeakPolarHBondContact O-CB 3.41Å; A48-I52 VanDerWaalsContact O-CD1 3.26Å; A48-I52 WeakPolarHBondContact O-CD1 3.43Å; A48-I52 WeakPolarHBondContact O-CG1 3.36Å; A48-I52 PolarHBondContact O-N 2.9Å; R50-I52 VanDerWaalsContact C-N 3.34Å; R50-I52 PolarHBondContact O-N 3.01Å; I52-L54 PolarHBondContact O-N 3.08Å; I52-L55 WeakPolarHBondContact O-CA 3.5Å; I52-L55 VanDerWaalsContact O-CB 3.25Å; I52-L55 WeakPolarHBondContact O-CB 3.47Å; I52-L55 PolarHBondContact O-N 2.7Å; I52-L66 HydrophobicContact CG2-CD2 3.85Å; I52-L66 WeakPolarHBondContact O-CD2 3.32Å; I52-V69 HydrophobicContact CG2-CG1 4.46Å; I52-V69 HydrophobicContact CG2-CG2 3.71Å; I52-L76 HydrophobicContact CD1-CD2 3.84Å; I52-L78 HydrophobicContact CD1-CD2 4.44Å; I52-L78 HydrophobicContact CG2-CD2 3.59Å; I52-A151 HydrophobicContact CG1-CB 4.24Å; I52-F152 HydrophobicContact CD1-CD1 4.49Å; I52-F152 HydrophobicContact CD1-CE1 3.54Å; I52-F152 HydrophobicContact CD1-CE2 3.99Å; I52-F152 HydrophobicContact CD1-CZ 3.21Å; I52-F152 HydrophobicContact CG1-CZ 4.18Å |
| 53 | S | 66 | Low | 74.2 | Confident | 50 Ų | 50 | 61.5 Ų | 61.5 | 35% | 0.35 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.4 | -32.4 | 177 | -60.2 | 0 | 0 | 0 | 0 | 111.2 | I49 R50 E51 L55 K56 | I49-S53 WeakPolarHBondContact O-CB 3.25Å; I49-S53 PolarHBondContact O-N 3.18Å; I49-S53 PolarHBondContact O-OG 3.46Å; R50-S53 WeakPolarHBondContact O-CB 3.41Å; R50-S53 PolarHBondContact O-N 3.39Å; R50-S53 VanDerWaalsContact O-N 3.13Å; E51-S53 VanDerWaalsContact C-N 3.33Å; S53-L55 VanDerWaalsContact C-N 3.26Å; S53-L55 PolarHBondContact O-N 3.46Å; S53-K56 VanDerWaalsContact O-CB 3.23Å; S53-K56 WeakPolarHBondContact O-CB 3.02Å; S53-K56 PolarHBondContact O-N 3.02Å |
| 54 | L | 65.6 | Low | 75.6 | Confident | 89 Ų | 89 | 59.8 Ų | 59.8 | 47% | 0.466 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.4 | -28.3 | 170.4 | -63.9 | 172.7 | 0 | 0 | 0 | 112.3 | R50 E51 I52 K56 E57 | R50-L54 WeakPolarHBondContact O-CG 3.32Å; R50-L54 PolarHBondContact O-N 3.4Å; E51-L54 WeakPolarHBondContact O-CB 3.19Å; E51-L54 PolarHBondContact O-N 3.28Å; I52-L54 PolarHBondContact O-N 3.08Å; L54-K56 PolarHBondContact O-N 3.37Å; L54-E57 WeakPolarHBondContact O-CB 3.29Å; L54-E57 PolarHBondContact O-N 3.04Å |
| 55 | L | 69.3 | Low | 77 | Confident | 39 Ų | 39 | 64.5 Ų | 64.5 | 20% | 0.204 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66 | -20 | 171.1 | -59.7 | 174.4 | 0 | 0 | 0 | 112.6 | E51 I52 S53 E57 L58 L66 F146 | E51-L55 PolarHBondContact O-N 3.04Å; I52-L55 WeakPolarHBondContact O-CA 3.5Å; I52-L55 VanDerWaalsContact O-CB 3.25Å; I52-L55 WeakPolarHBondContact O-CB 3.47Å; I52-L55 PolarHBondContact O-N 2.7Å; S53-L55 VanDerWaalsContact C-N 3.26Å; S53-L55 PolarHBondContact O-N 3.46Å; L55-E57 PolarHBondContact O-N 3.31Å; L55-L58 HydrophobicContact CD2-CD1 3.66Å; L55-L58 PolarHBondContact O-N 2.88Å; L55-L66 HydrophobicContact CB-CD2 4.12Å; L55-F146 HydrophobicContact CD2-CB 4.2Å |
| 56 | K | 75.3 | Confident | 78.3 | Confident | 101 Ų | 101 | 62.1 Ų | 62.1 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -25.1 | 171.6 | -60.7 | -177.1 | 71.5 | 172.9 | 0 | 112 | S53 L54 L58 L66 | S53-K56 VanDerWaalsContact O-CB 3.23Å; S53-K56 WeakPolarHBondContact O-CB 3.02Å; S53-K56 PolarHBondContact O-N 3.02Å; L54-K56 PolarHBondContact O-N 3.37Å; K56-L58 VanDerWaalsContact C-N 3.31Å; K56-L66 HydrophobicContact CG-CD2 3.75Å; K56-L66 HydrophobicContact CG-CG 4.05Å |
| 57 | E | 74.9 | Confident | 79.5 | Confident | 146 Ų | 146 | 61.6 Ų | 61.6 | 68% | 0.682 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.9 | -16.8 | 178.3 | -58.2 | -179.3 | 176.3 | 0 | 0 | 112.1 | L54 L55 S59 | L54-E57 WeakPolarHBondContact O-CB 3.29Å; L54-E57 PolarHBondContact O-N 3.04Å; L55-E57 PolarHBondContact O-N 3.31Å; E57-S59 VanDerWaalsContact C-N 3.28Å; E57-S59 PolarHBondContact O-N 3.08Å |
| 58 | L | 80.6 | Confident | 80.7 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 8% | 0.084 | 30% | 0.301 | C | S | . | . | trans | -74.8 | 81.1 | 172.6 | -64.7 | 178.1 | 0 | 0 | 0 | 110.6 | L55 K56 I63 F117 H121 V123 | L55-L58 HydrophobicContact CD2-CD1 3.66Å; L55-L58 PolarHBondContact O-N 2.88Å; K56-L58 VanDerWaalsContact C-N 3.31Å; L58-I63 HydrophobicContact CB-CG2 4.47Å; L58-F117 HydrophobicContact CB-CE1 4.39Å; L58-F117 HydrophobicContact CD2-CD1 4.44Å; L58-F117 HydrophobicContact CD2-CE1 3.79Å; L58-H121 HydrophobicContact CD2-CB 4.4Å; L58-V123 HydrophobicContact CD1-CG1 4.21Å; L58-V123 HydrophobicContact CD1-CG2 4.33Å; L58-V123 HydrophobicContact CD2-CG2 4.15Å | ||
| 59 | S | 90.3 | Very high | 81.8 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | trans | -106.2 | 105.9 | 177 | -159.2 | 0 | 0 | 0 | 0 | 111.2 | E57 | E57-S59 VanDerWaalsContact C-N 3.28Å; E57-S59 PolarHBondContact O-N 3.08Å | ||
| 60 | H | 94.9 | Very high | 82.6 | Confident | 41 Ų | 41 | 61.8 Ų | 61.8 | 19% | 0.19 | 31% | 0.305 | C | S | . | . | trans | -149.3 | 144.6 | 177.5 | -174.2 | -92.6 | 0 | 0 | 0 | 109.9 | N62 I63 F117 | H60-N62 PolarHBondContact CE1-OD1 3.38Å; H60-N62 VanDerWaalsContact CE1-OD1 3.28Å; H60-N62 PolarHBondContact ND1-N 3Å; H60-N62 PolarHBondContact O-N 3.32Å; H60-N62 VanDerWaalsContact O-N 3.14Å; H60-I63 HydrophobicContact CB-CB 4.15Å; H60-I63 HydrophobicContact CB-CD1 3.76Å; H60-I63 HydrophobicContact CB-CG1 3.96Å; H60-I63 PolarHBondContact O-N 2.82Å; H60-F117 HydrophobicContact CB-CB 4.43Å; H60-F117 HydrophobicContact CB-CD1 3.87Å; H60-F117 HydrophobicContact CB-CD2 4.28Å; H60-F117 HydrophobicContact CB-CE1 4.14Å; H60-F117 HydrophobicContact CB-CG 3.93Å; H60-F117 HydrophobicContact CB-CZ 4.47Å; H60-F117 AromaticContact CD2-CD2 3.79Å; H60-F117 AromaticContact CD2-CG 3.78Å; H60-F117 AromaticContact CG-CG 3.96Å | ||
| 61 | P | 96.9 | Very high | 83.5 | Confident | 89 Ų | 89 | 56.7 Ų | 56.7 | 58% | 0.578 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -35.2 | -179.8 | -28.9 | 36.3 | 0 | 0 | 0 | 114.2 | K142 | P61-K142 WeakPolarHBondContact O-CD 3.37Å; P61-K142 WeakPolarHBondContact O-CE 3.47Å; P61-K142 WeakPolarHBondContact O-CG 3.48Å; P61-K142 PolarHBondContact O-NZ 2.79Å |
| 62 | N | 97.4 | Very high | 84.2 | Confident | 8 Ų | 8 | 55.3 Ų | 55.3 | 4% | 0.043 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 21.1 | -179.8 | -51.9 | 109.1 | 0 | 0 | 0 | 114.6 | H60 Q110 I141 K142 L143 | H60-N62 PolarHBondContact CE1-OD1 3.38Å; H60-N62 VanDerWaalsContact CE1-OD1 3.28Å; H60-N62 PolarHBondContact ND1-N 3Å; H60-N62 PolarHBondContact O-N 3.32Å; H60-N62 VanDerWaalsContact O-N 3.14Å; N62-Q110 WeakPolarHBondContact CB-O 3.42Å; N62-Q110 VanDerWaalsContact ND2-CB 3.32Å; N62-Q110 WeakPolarHBondContact ND2-CB 3.48Å; N62-Q110 PolarHBondContact ND2-OE1 3.42Å; N62-Q110 VanDerWaalsContact ND2-OE1 3.08Å; N62-Q110 PolarHBondContact OD1-O 2.82Å; N62-I141 PolarHBondContact ND2-O 3.29Å; N62-K142 WeakPolarHBondContact O-CA 3.3Å; N62-L143 PolarHBondContact O-N 3.02Å |
| 63 | I | 94.2 | Very high | 84.3 | Confident | 4 Ų | 4 | 63.6 Ų | 63.6 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -125.2 | 132.1 | 173.7 | -67.1 | 177.1 | 0 | 0 | 0 | 107.9 | L58 H60 K65 F117 C118 L143 F146 | L58-I63 HydrophobicContact CB-CG2 4.47Å; H60-I63 HydrophobicContact CB-CB 4.15Å; H60-I63 HydrophobicContact CB-CD1 3.76Å; H60-I63 HydrophobicContact CB-CG1 3.96Å; H60-I63 PolarHBondContact O-N 2.82Å; I63-K65 PolarHBondContact O-N 3.2Å; I63-F117 HydrophobicContact CD1-CD1 3.49Å; I63-F117 VanDerWaalsContact CD1-CD1 3.49Å; I63-F117 HydrophobicContact CD1-CE1 4.04Å; I63-F117 HydrophobicContact CD1-CG 4.42Å; I63-C118 WeakPolarHBondContact CD1-SG 3.46Å; I63-L143 HydrophobicContact CG1-CD1 4.38Å; I63-F146 HydrophobicContact CB-CE2 4.36Å; I63-F146 HydrophobicContact CD1-CZ 4.15Å; I63-F146 HydrophobicContact CG1-CE2 4.19Å; I63-F146 HydrophobicContact CG1-CZ 3.98Å; I63-F146 HydrophobicContact CG2-CD2 4.3Å; I63-F146 HydrophobicContact CG2-CE2 3.64Å; I63-F146 HydrophobicContact CG2-CZ 4.2Å |
| 64 | V | 93.4 | Very high | 84.7 | Confident | 12 Ų | 12 | 67 Ų | 67 | 7% | 0.073 | 34% | 0.34 | C | S | . | . | trans | -63.6 | 119.6 | 177.3 | 175.8 | 0 | 0 | 0 | 0 | 109.5 | L66 F80 E81 L83 L134 K142 L143 A144 | V64-L66 PolarHBondContact O-N 3.24Å; V64-F80 HydrophobicContact CG1-CB 3.9Å; V64-F80 HydrophobicContact CG1-CD1 3.82Å; V64-F80 HydrophobicContact CG1-CG 4.16Å; V64-E81 HydrophobicContact CG1-CG 3.95Å; V64-L83 HydrophobicContact CG1-CD1 4.45Å; V64-L83 HydrophobicContact CG2-CD1 3.95Å; V64-L134 HydrophobicContact CG2-CD1 3.99Å; V64-L134 HydrophobicContact CG2-CG 4.47Å; V64-K142 HydrophobicContact CG2-CB 3.69Å; V64-L143 WeakPolarHBondContact CG2-O 3.07Å; V64-L143 PolarHBondContact N-O 3.03Å; V64-A144 HydrophobicContact CB-CB 4.3Å; V64-A144 HydrophobicContact CG2-CB 3.67Å | ||
| 65 | K | 91.9 | Very high | 85.5 | Confident | 112 Ų | 112 | 67.3 Ų | 67.3 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | trans | -71.3 | 117.2 | -176.5 | -170.6 | 171.6 | -174.2 | 172.5 | 0 | 111.4 | I63 R67 F80 E81 | I63-K65 PolarHBondContact O-N 3.2Å; K65-R67 HydrophobicContact CG-CG 4.46Å; K65-R67 PolarHBondContact O-N 3.37Å; K65-F80 WeakPolarHBondContact O-CA 3.36Å; K65-E81 HydrophobicContact CB-CG 4.19Å; K65-E81 VanDerWaalsContact CB-OE1 3.29Å; K65-E81 WeakPolarHBondContact CB-OE1 3.49Å; K65-E81 PolarHBondContact N-OE1 2.84Å; K65-E81 PolarHBondContact O-N 3.38Å; K65-E81 VanDerWaalsContact O-N 3.11Å | ||
| 66 | L | 90.4 | Very high | 86.2 | Confident | 10 Ų | 10 | 65.4 Ų | 65.4 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 112.5 | 162.5 | 179.9 | 62.1 | 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 3.32Å; L55-L66 HydrophobicContact CB-CD2 4.12Å; K56-L66 HydrophobicContact CG-CD2 3.75Å; K56-L66 HydrophobicContact CG-CG 4.05Å; V64-L66 PolarHBondContact O-N 3.24Å; L66-D68 WeakPolarHBondContact CD1-O 3.45Å; L66-V69 HydrophobicContact CD1-CG2 4.37Å; L66-V69 HydrophobicContact CD2-CG2 4.01Å; L66-V69 HydrophobicContact CG-CG2 4.44Å; L66-L78 HydrophobicContact CD1-CB 3.94Å; L66-L78 HydrophobicContact CD1-CD2 4.49Å; L66-F80 HydrophobicContact CB-CD1 4.12Å; L66-F80 HydrophobicContact CB-CE1 3.85Å; L66-F80 HydrophobicContact CD1-CD1 4.09Å; L66-F80 HydrophobicContact CD1-CE1 3.73Å; L66-F80 HydrophobicContact CD1-CE2 4.44Å; L66-F80 HydrophobicContact CD1-CZ 3.92Å; L66-F80 HydrophobicContact CG-CE1 4.34Å |
| 67 | R | 89.5 | Confident | 86.7 | Confident | 87 Ų | 87 | 61 Ų | 61 | 33% | 0.328 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | -47 | -176.8 | -61.1 | 176.8 | 167.8 | -130.6 | 8.2 | 111 | E28 K65 V79 | E28-R67 IonicContact OE1-CZ 3.42Å; E28-R67 IonicContact OE1-NH1 2.71Å; E28-R67 PolarHBondContact OE1-NH1 2.76Å; E28-R67 IonicContact OE1-NH2 2.66Å; E28-R67 PolarHBondContact OE1-NH2 3.21Å; E28-R67 IonicContact OE2-CZ 2.74Å; E28-R67 IonicContact OE2-NH1 2.86Å; E28-R67 PolarHBondContact OE2-NH1 3.32Å; K65-R67 HydrophobicContact CG-CG 4.46Å; K65-R67 PolarHBondContact O-N 3.37Å; R67-V79 WeakPolarHBondContact CA-O 3.23Å; R67-V79 HydrophobicContact CB-CG1 4.49Å; R67-V79 WeakPolarHBondContact CB-O 3.33Å; R67-V79 PolarHBondContact N-O 3.41Å |
| 68 | D | 88.1 | Confident | 87.4 | Confident | 73 Ų | 73 | 54 Ų | 54 | 39% | 0.39 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 159.6 | -174.5 | -154.2 | 5.5 | 0 | 0 | 0 | 112.6 | L66 V79 | L66-D68 WeakPolarHBondContact CD1-O 3.45Å; D68-V79 HydrophobicContact CB-CB 4.03Å; D68-V79 HydrophobicContact CB-CG2 4Å; D68-V79 PolarHBondContact N-O 3.1Å; D68-V79 PolarHBondContact O-N 3.49Å |
| 69 | V | 87.4 | Confident | 87.9 | Confident | 28 Ų | 28 | 53.3 Ų | 53.3 | 17% | 0.17 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 113.4 | 177.8 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | I52 L66 L76 L78 | I52-V69 HydrophobicContact CG2-CG1 4.46Å; I52-V69 HydrophobicContact CG2-CG2 3.71Å; L66-V69 HydrophobicContact CD1-CG2 4.37Å; L66-V69 HydrophobicContact CD2-CG2 4.01Å; L66-V69 HydrophobicContact CG-CG2 4.44Å; V69-L76 HydrophobicContact CG1-CD1 3.61Å; V69-L78 HydrophobicContact CG1-CD2 4.03Å; V69-L78 HydrophobicContact CG2-CD2 4.08Å |
| 70 | I | 86.8 | Confident | 88.1 | Confident | 35 Ų | 35 | 51 Ų | 51 | 18% | 0.179 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 110.2 | -179.5 | -51.3 | 167.3 | 0 | 0 | 0 | 107.8 | F4 Y77 V79 | F4-I70 HydrophobicContact CD2-CD1 3.81Å; F4-I70 HydrophobicContact CE2-CD1 3.6Å; I70-Y77 PolarHBondContact N-O 3.3Å; I70-Y77 PolarHBondContact O-N 2.87Å; I70-V79 HydrophobicContact CD1-CG2 3.72Å; I70-V79 HydrophobicContact CG1-CG2 4.05Å |
| 71 | H | 83.3 | Confident | 88 | Confident | 85 Ų | 85 | 50.5 Ų | 50.5 | 39% | 0.394 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130 | 171.7 | -171.5 | 120.9 | 0 | 0 | 0 | 109.4 | I49 L76 | I49-H71 WeakPolarHBondContact CD1-ND1 3.5Å; H71-L76 HydrophobicContact CB-CD1 4.17Å |
| 72 | T | 80.2 | Confident | 87.9 | Confident | 59 Ų | 59 | 48.5 Ų | 48.5 | 36% | 0.362 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 160.8 | 165.6 | 55.8 | 0 | 0 | 0 | 0 | 107.5 | N74 K75 | T72-N74 PolarHBondContact O-N 3.38Å; T72-K75 PolarHBondContact N-O 3.18Å; T72-K75 PolarHBondContact O-N 3.11Å; T72-K75 VanDerWaalsContact O-O 3.14Å; T72-K75 WeakPolarHBondContact OG1-CB 3.36Å; T72-K75 PolarHBondContact OG1-O 3.01Å |
| 73 | E | 73.6 | Confident | 87.7 | Confident | 173 Ų | 173 | 48.7 Ų | 48.7 | 81% | 0.808 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -38.7 | -44 | -169.4 | -68.8 | 177.3 | 173.7 | 0 | 0 | 114.9 | ||
| 74 | N | 75.7 | Confident | 87.5 | Confident | 121 Ų | 121 | 52.6 Ų | 52.6 | 65% | 0.647 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | 10.3 | -177.9 | -63.5 | -25.9 | 0 | 0 | 0 | 114.7 | T72 | T72-N74 PolarHBondContact O-N 3.38Š|
| 75 | K | 80.5 | Confident | 87.5 | Confident | 96 Ų | 96 | 53.4 Ų | 53.4 | 42% | 0.417 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 129.6 | -174.8 | -53.1 | 170.2 | -176.7 | 165.6 | 0 | 111.4 | T72 Y77 | T72-K75 PolarHBondContact N-O 3.18Å; T72-K75 PolarHBondContact O-N 3.11Å; T72-K75 VanDerWaalsContact O-O 3.14Å; T72-K75 WeakPolarHBondContact OG1-CB 3.36Å; T72-K75 PolarHBondContact OG1-O 3.01Å; K75-Y77 HydrophobicContact CB-CD2 4.27Å; K75-Y77 HydrophobicContact CB-CE2 3.53Å; K75-Y77 HydrophobicContact CD-CE2 4.1Å; K75-Y77 HydrophobicContact CG-CE2 4.4Å |
| 76 | L | 84.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 128.6 | 170.2 | -175.3 | 69.1 | 0 | 0 | 0 | 110.2 | I35 L37 V44 I52 V69 H71 L78 F152 | I35-L76 HydrophobicContact CB-CB 4.26Å; I35-L76 HydrophobicContact CB-CD2 4.42Å; I35-L76 HydrophobicContact CG1-CB 4.44Å; I35-L76 HydrophobicContact CG1-CD2 4.08Å; I35-L76 HydrophobicContact CG1-CG 4.28Å; I35-L76 PolarHBondContact N-O 2.9Å; L37-L76 HydrophobicContact CD1-CB 4.49Å; V44-L76 HydrophobicContact CG1-CD2 4.12Å; V44-L76 HydrophobicContact CG2-CB 3.99Å; V44-L76 HydrophobicContact CG2-CD2 4.25Å; I52-L76 HydrophobicContact CD1-CD2 3.84Å; V69-L76 HydrophobicContact CG1-CD1 3.61Å; H71-L76 HydrophobicContact CB-CD1 4.17Å; L76-L78 HydrophobicContact CG-CD2 4.44Å; L76-F152 HydrophobicContact CD2-CE1 3.46Å; L76-F152 VanDerWaalsContact CD2-CE1 3.46Å; L76-F152 HydrophobicContact CD2-CZ 3.65Å |
| 77 | Y | 87.5 | Confident | 87.9 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132 | 172.9 | -61.9 | -94.4 | 0 | 0 | 0 | 110.1 | M1 K33 K34 I70 K75 | M1-Y77 HydrophobicContact CE-CE1 3.63Å; M1-Y77 HydrophobicContact CE-CE2 3.78Å; M1-Y77 WeakPolarHBondContact CE-OH 3.32Å; K33-Y77 WeakPolarHBondContact O-CA 3.4Å; K34-Y77 HydrophobicContact CB-CD1 3.84Å; K34-Y77 HydrophobicContact CB-CE1 3.5Å; K34-Y77 VanDerWaalsContact CB-CE1 3.5Å; K34-Y77 HydrophobicContact CD-CE1 4.08Å; K34-Y77 HydrophobicContact CG-CD1 4.15Å; K34-Y77 HydrophobicContact CG-CE1 3.53Å; I70-Y77 PolarHBondContact N-O 3.3Å; I70-Y77 PolarHBondContact O-N 2.87Å; K75-Y77 HydrophobicContact CB-CD2 4.27Å; K75-Y77 HydrophobicContact CB-CE2 3.53Å; K75-Y77 HydrophobicContact CD-CE2 4.1Å; K75-Y77 HydrophobicContact CG-CE2 4.4Å |
| 78 | L | 88.8 | Confident | 88.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 128.4 | 168.9 | -52.8 | -175.5 | 0 | 0 | 0 | 108.4 | L32 K33 I35 I52 L66 V69 L76 F80 L148 | L32-L78 WeakPolarHBondContact CA-O 3.17Å; K33-L78 HydrophobicContact CB-CB 4.38Å; K33-L78 PolarHBondContact N-O 2.83Å; K33-L78 PolarHBondContact O-N 2.82Å; I35-L78 HydrophobicContact CD1-CD1 3.96Å; I35-L78 HydrophobicContact CD1-CG 4.23Å; I35-L78 HydrophobicContact CG1-CD1 4.39Å; I35-L78 HydrophobicContact CG1-CG 4.2Å; I52-L78 HydrophobicContact CD1-CD2 4.44Å; I52-L78 HydrophobicContact CG2-CD2 3.59Å; L66-L78 HydrophobicContact CD1-CB 3.94Å; L66-L78 HydrophobicContact CD1-CD2 4.49Å; V69-L78 HydrophobicContact CG1-CD2 4.03Å; V69-L78 HydrophobicContact CG2-CD2 4.08Å; L76-L78 HydrophobicContact CG-CD2 4.44Å; L78-F80 HydrophobicContact CB-CD2 4.12Å; L78-F80 HydrophobicContact CB-CE2 3.37Å; L78-F80 HydrophobicContact CB-CZ 3.82Å; L78-F80 HydrophobicContact CD1-CE2 4.06Å; L78-F80 HydrophobicContact CD1-CZ 3.91Å; L78-F80 HydrophobicContact CG-CE2 4.36Å; L78-L148 HydrophobicContact CD1-CD2 3.75Å |
| 79 | V | 91.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 112.1 | 179.9 | -169.8 | 0 | 0 | 0 | 0 | 108.8 | F4 V30 L32 R67 D68 I70 | F4-V79 HydrophobicContact CE1-CG1 4Å; F4-V79 HydrophobicContact CE2-CG2 4.26Å; F4-V79 HydrophobicContact CZ-CG1 3.89Å; F4-V79 HydrophobicContact CZ-CG2 4.21Å; V30-V79 HydrophobicContact CB-CG1 3.95Å; V30-V79 HydrophobicContact CG1-CG1 4.1Å; V30-V79 HydrophobicContact CG2-CG1 4.04Å; L32-V79 HydrophobicContact CD2-CB 4.06Å; L32-V79 HydrophobicContact CD2-CG1 3.93Å; L32-V79 HydrophobicContact CD2-CG2 3.51Å; R67-V79 WeakPolarHBondContact CA-O 3.23Å; R67-V79 HydrophobicContact CB-CG1 4.49Å; R67-V79 WeakPolarHBondContact CB-O 3.33Å; R67-V79 PolarHBondContact N-O 3.41Å; D68-V79 HydrophobicContact CB-CB 4.03Å; D68-V79 HydrophobicContact CB-CG2 4Å; D68-V79 PolarHBondContact N-O 3.1Å; D68-V79 PolarHBondContact O-N 3.49Å; I70-V79 HydrophobicContact CD1-CG2 3.72Å; I70-V79 HydrophobicContact CG1-CG2 4.05Å |
| 80 | F | 92.8 | Very high | 88.8 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 13% | 0.127 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 159.2 | 178.7 | -63.5 | -81.7 | 0 | 0 | 0 | 111.5 | V30 A31 K33 V64 K65 L66 L78 | V30-F80 WeakPolarHBondContact CB-O 3.46Å; A31-F80 HydrophobicContact CB-CB 4.29Å; A31-F80 PolarHBondContact N-O 2.89Å; A31-F80 PolarHBondContact O-N 3.2Å; K33-F80 HydrophobicContact CB-CD2 4.4Å; K33-F80 HydrophobicContact CB-CE2 4.08Å; K33-F80 HydrophobicContact CD-CE2 4.43Å; V64-F80 HydrophobicContact CG1-CB 3.9Å; V64-F80 HydrophobicContact CG1-CD1 3.82Å; V64-F80 HydrophobicContact CG1-CG 4.16Å; K65-F80 WeakPolarHBondContact O-CA 3.36Å; L66-F80 HydrophobicContact CB-CD1 4.12Å; L66-F80 HydrophobicContact CB-CE1 3.85Å; L66-F80 HydrophobicContact CD1-CD1 4.09Å; L66-F80 HydrophobicContact CD1-CE1 3.73Å; L66-F80 HydrophobicContact CD1-CE2 4.44Å; L66-F80 HydrophobicContact CD1-CZ 3.92Å; L66-F80 HydrophobicContact CG-CE1 4.34Å; L78-F80 HydrophobicContact CB-CD2 4.12Å; L78-F80 HydrophobicContact CB-CE2 3.37Å; L78-F80 HydrophobicContact CB-CZ 3.82Å; L78-F80 HydrophobicContact CD1-CE2 4.06Å; L78-F80 HydrophobicContact CD1-CZ 3.91Å; L78-F80 HydrophobicContact CG-CE2 4.36Å |
| 81 | E | 93.4 | Very high | 89.3 | Confident | 31 Ų | 31 | 46.8 Ų | 46.8 | 15% | 0.145 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.7 | 145.8 | 159.5 | 65.7 | 178.7 | 129.3 | 0 | 0 | 110.9 | V64 K65 L83 K142 | V64-E81 HydrophobicContact CG1-CG 3.95Å; K65-E81 HydrophobicContact CB-CG 4.19Å; K65-E81 VanDerWaalsContact CB-OE1 3.29Å; K65-E81 WeakPolarHBondContact CB-OE1 3.49Å; K65-E81 PolarHBondContact N-OE1 2.84Å; K65-E81 PolarHBondContact O-N 3.38Å; K65-E81 VanDerWaalsContact O-N 3.11Å; E81-L83 HydrophobicContact CG-CD1 3.89Å; E81-K142 VanDerWaalsContact CD-NZ 3.28Å; E81-K142 IonicContact OE1-NZ 2.69Å; E81-K142 PolarHBondContact OE1-NZ 2.95Å; E81-K142 IonicContact OE2-NZ 3.06Å; E81-K142 PolarHBondContact OE2-NZ 3.04Å |
| 82 | F | 94.2 | Very high | 89.8 | Confident | 46 Ų | 46 | 46.5 Ų | 46.5 | 20% | 0.202 | 22% | 0.224 | C | C | . | . | trans | -90.9 | 129.9 | 177.6 | 179.1 | -98.5 | 0 | 0 | 0 | 110.3 | I10 K20 T29 A31 | I10-F82 HydrophobicContact CD1-CD2 4.34Å; I10-F82 HydrophobicContact CD1-CE2 3.95Å; K20-F82 HydrophobicContact CB-CE2 4.14Å; K20-F82 HydrophobicContact CD-CE2 3.96Å; K20-F82 HydrophobicContact CD-CZ 3.99Å; K20-F82 HydrophobicContact CG-CD2 4.12Å; K20-F82 HydrophobicContact CG-CE2 3.83Å; K20-F82 HydrophobicContact CG-CZ 4.32Å; T29-F82 HydrophobicContact CG2-CB 3.93Å; T29-F82 HydrophobicContact CG2-CD1 3.8Å; T29-F82 HydrophobicContact CG2-CD2 4.21Å; T29-F82 HydrophobicContact CG2-CE1 4.39Å; T29-F82 HydrophobicContact CG2-CG 3.7Å; T29-F82 WeakPolarHBondContact O-CB 3.43Å; A31-F82 HydrophobicContact CB-CD2 4.5Å | ||
| 83 | L | 93.8 | Very high | 90.4 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 7% | 0.068 | 23% | 0.232 | C | C | . | . | trans | -116.7 | 153.6 | 166.8 | -70.7 | 97 | 0 | 0 | 0 | 109 | V64 E81 L134 K142 | V64-L83 HydrophobicContact CG1-CD1 4.45Å; V64-L83 HydrophobicContact CG2-CD1 3.95Å; E81-L83 HydrophobicContact CG-CD1 3.89Å; L83-L134 HydrophobicContact CB-CB 3.75Å; L83-L134 HydrophobicContact CB-CD1 4.26Å; L83-L134 HydrophobicContact CD1-CB 4.12Å; L83-L134 HydrophobicContact CD1-CD1 4.1Å; L83-L134 HydrophobicContact CD2-CB 3.82Å; L83-L134 HydrophobicContact CG-CB 4.1Å; L83-K142 HydrophobicContact CD1-CD 4.31Å; L83-K142 HydrophobicContact CD2-CB 4.27Å; L83-K142 HydrophobicContact CD2-CD 4.04Å; L83-K142 HydrophobicContact CD2-CG 3.95Å | ||
| 84 | H | 91 | Very high | 91.2 | Very high | 86 Ų | 86 | 39.7 Ų | 39.7 | 40% | 0.398 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -76.8 | -37.8 | -165.2 | -62.7 | 88.2 | 0 | 0 | 0 | 113.1 | I135 L296 L298 | H84-I135 PolarHBondContact N-O 3.35Å; H84-L296 HydrophobicContact CB-CD1 4.46Å; H84-L298 HydrophobicContact CB-CD2 3.41Å; H84-L298 VanDerWaalsContact CB-CD2 3.41Å |
| 85 | Q | 92.5 | Very high | 91.8 | Very high | 28 Ų | 28 | 37.1 Ų | 37.1 | 13% | 0.131 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 151.5 | -169.1 | -166 | 171.2 | -27.2 | 0 | 0 | 111 | K89 L134 I135 | Q85-K89 HydrophobicContact CG-CB 3.85Å; Q85-K89 PolarHBondContact NE2-O 2.86Å; Q85-L134 WeakPolarHBondContact O-CA 3.37Å; Q85-I135 HydrophobicContact CB-CG1 4.15Å; Q85-I135 PolarHBondContact N-O 2.94Å; Q85-I135 WeakPolarHBondContact O-CG1 3.18Å; Q85-I135 PolarHBondContact O-N 2.9Å |
| 86 | D | 94.8 | Very high | 92.1 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 13% | 0.128 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 155.5 | 168.6 | 61.6 | 74.5 | 0 | 0 | 0 | 111.6 | K88 K89 F90 L133 L134 | D86-K88 PolarHBondContact O-N 2.89Å; D86-K88 WeakPolarHBondContact OD1-CB 3.07Å; D86-K88 PolarHBondContact OD1-N 2.92Å; D86-K89 PolarHBondContact O-N 3.4Å; D86-K89 WeakPolarHBondContact OD1-CG 3.37Å; D86-K89 PolarHBondContact OD1-N 3.18Å; D86-K89 WeakPolarHBondContact OD2-CD 3.11Å; D86-K89 WeakPolarHBondContact OD2-CE 3.04Å; D86-K89 IonicContact OD2-NZ 3.01Å; D86-F90 PolarHBondContact O-N 2.92Å; D86-F90 VanDerWaalsContact O-N 3.14Å; D86-L133 CarbonylContact C-O 3.38Å; D86-L133 VanDerWaalsContact CA-O 3.3Å; D86-L133 WeakPolarHBondContact CA-O 3.44Å; D86-L134 HydrophobicContact CB-CD2 3.83Å |
| 87 | L | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -30.6 | -177.9 | -177 | 67.7 | 0 | 0 | 0 | 111.5 | F90 M91 Y107 P130 L133 I141 I192 M196 | L87-F90 HydrophobicContact CD1-CD1 4.16Å; L87-F90 PolarHBondContact O-N 2.95Å; L87-M91 HydrophobicContact CD1-CG 4.43Å; L87-M91 HydrophobicContact CG-CE 4.38Å; L87-M91 HydrophobicContact CG-CG 4.35Å; L87-M91 HydrophobicContact CG-SD 4.34Å; L87-M91 WeakPolarHBondContact O-CG 3.13Å; L87-M91 PolarHBondContact O-N 2.95Å; L87-Y107 HydrophobicContact CD1-CD2 4.04Å; L87-Y107 HydrophobicContact CD1-CE2 4.1Å; L87-P130 HydrophobicContact CB-CB 4.14Å; L87-P130 WeakPolarHBondContact CB-O 3.43Å; L87-P130 HydrophobicContact CD2-CB 4.25Å; L87-P130 HydrophobicContact CG-CB 4.26Å; L87-P130 PolarHBondContact N-O 3.23Å; L87-L133 HydrophobicContact CB-CB 3.91Å; L87-L133 HydrophobicContact CD2-CB 4.36Å; L87-L133 HydrophobicContact CD2-CD1 3.7Å; L87-L133 PolarHBondContact N-O 3.39Å; L87-I141 HydrophobicContact CD1-CD1 4.33Å; L87-I141 HydrophobicContact CD2-CD1 4.29Å; L87-I192 HydrophobicContact CD2-CG2 3.85Å; L87-M196 HydrophobicContact CD1-SD 4.26Å; L87-M196 HydrophobicContact CD2-CG 4.14Å; L87-M196 HydrophobicContact CD2-SD 3.96Å |
| 88 | K | 94.9 | Very high | 92.6 | Very high | 50 Ų | 50 | 44.9 Ų | 44.9 | 22% | 0.217 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.2 | -54.5 | 177.8 | -179 | 52.5 | -178.1 | 153.5 | 0 | 110.9 | D86 F90 M91 D92 P130 Q131 | D86-K88 PolarHBondContact O-N 2.89Å; D86-K88 WeakPolarHBondContact OD1-CB 3.07Å; D86-K88 PolarHBondContact OD1-N 2.92Å; K88-F90 PolarHBondContact O-N 3.02Å; K88-M91 HydrophobicContact CD-CE 4.37Å; K88-M91 PolarHBondContact O-N 2.85Å; K88-D92 WeakPolarHBondContact CE-OD1 3.43Å; K88-D92 WeakPolarHBondContact CE-OD2 3.32Å; K88-D92 IonicContact NZ-OD1 3.77Å; K88-D92 PolarHBondContact NZ-OD1 3.41Å; K88-D92 IonicContact NZ-OD2 3.03Å; K88-D92 VanDerWaalsContact O-CG 3.28Å; K88-D92 PolarHBondContact O-N 3.16Å; K88-P130 HydrophobicContact CB-CB 3.91Å; K88-P130 PolarHBondContact N-O 3.01Å; K88-Q131 HydrophobicContact CB-CG 3.93Å; K88-Q131 HydrophobicContact CG-CG 4.19Å |
| 89 | K | 93.8 | Very high | 92.9 | Very high | 111 Ų | 111 | 45.9 Ų | 45.9 | 48% | 0.483 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.9 | -37 | 176.3 | -72.2 | 177.9 | -170.3 | 166.6 | 0 | 111.5 | Q85 D86 D92 S93 | Q85-K89 HydrophobicContact CG-CB 3.85Å; Q85-K89 PolarHBondContact NE2-O 2.86Å; D86-K89 PolarHBondContact O-N 3.4Å; D86-K89 WeakPolarHBondContact OD1-CG 3.37Å; D86-K89 PolarHBondContact OD1-N 3.18Å; D86-K89 WeakPolarHBondContact OD2-CD 3.11Å; D86-K89 WeakPolarHBondContact OD2-CE 3.04Å; D86-K89 IonicContact OD2-NZ 3.01Å; K89-D92 PolarHBondContact O-N 3.09Å; K89-S93 PolarHBondContact O-N 3.46Å; K89-S93 PolarHBondContact O-OG 3.03Å |
| 90 | F | 95.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 49.8 Ų | 49.8 | 3% | 0.031 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -67.8 | -40.3 | 179.3 | -177.7 | -109.8 | 0 | 0 | 0 | 112.9 | D86 L87 K88 S93 S94 I99 L103 Y107 I135 P294 L296 | D86-F90 PolarHBondContact O-N 2.92Å; D86-F90 VanDerWaalsContact O-N 3.14Å; L87-F90 HydrophobicContact CD1-CD1 4.16Å; L87-F90 PolarHBondContact O-N 2.95Å; K88-F90 PolarHBondContact O-N 3.02Å; F90-S93 WeakPolarHBondContact CA-OG 3.05Å; F90-S93 PolarHBondContact O-OG 2.92Å; F90-S94 VanDerWaalsContact O-CB 3.25Å; F90-S94 WeakPolarHBondContact O-CB 3.46Å; F90-S94 PolarHBondContact O-N 3.02Å; F90-S94 PolarHBondContact O-OG 2.89Å; F90-I99 HydrophobicContact CD1-CD1 3.85Å; F90-I99 HydrophobicContact CD1-CG1 4.36Å; F90-I99 HydrophobicContact CE1-CD1 3.76Å; F90-I99 HydrophobicContact CE1-CG1 3.88Å; F90-I99 HydrophobicContact CE1-CG2 4.19Å; F90-L103 HydrophobicContact CE1-CD2 3.96Å; F90-L103 HydrophobicContact CZ-CD2 3.82Å; F90-Y107 HydrophobicContact CD1-CE2 4.32Å; F90-Y107 HydrophobicContact CE1-CE2 4.09Å; F90-I135 HydrophobicContact CB-CD1 3.55Å; F90-I135 HydrophobicContact CD1-CD1 3.95Å; F90-I135 HydrophobicContact CD2-CD1 3.77Å; F90-I135 HydrophobicContact CE2-CD1 4.49Å; F90-I135 HydrophobicContact CG-CD1 3.46Å; F90-I135 VanDerWaalsContact CG-CD1 3.46Å; F90-P294 HydrophobicContact CE2-CB 4.1Å; F90-P294 HydrophobicContact CZ-CB 3.97Å; F90-L296 HydrophobicContact CD2-CD2 3.53Å; F90-L296 HydrophobicContact CE2-CD2 3.69Å |
| 91 | M | 95.5 | Very high | 93.3 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 7% | 0.069 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.8 | -41 | 172.8 | -71.8 | -173.3 | -52.4 | 0 | 0 | 111.4 | L87 K88 S94 S95 I99 P130 E195 M196 | L87-M91 HydrophobicContact CD1-CG 4.43Å; L87-M91 HydrophobicContact CG-CE 4.38Å; L87-M91 HydrophobicContact CG-CG 4.35Å; L87-M91 HydrophobicContact CG-SD 4.34Å; L87-M91 WeakPolarHBondContact O-CG 3.13Å; L87-M91 PolarHBondContact O-N 2.95Å; K88-M91 HydrophobicContact CD-CE 4.37Å; K88-M91 PolarHBondContact O-N 2.85Å; M91-S94 CarbonylContact O-C 3.32Å; M91-S94 PolarHBondContact O-N 3.12Å; M91-S94 VanDerWaalsContact O-N 3.12Å; M91-S95 PolarHBondContact O-N 3.34Å; M91-I99 HydrophobicContact CG-CD1 3.69Å; M91-P130 HydrophobicContact CE-CB 3.46Å; M91-P130 VanDerWaalsContact CE-CB 3.46Å; M91-P130 HydrophobicContact CE-CG 3.48Å; M91-P130 VanDerWaalsContact CE-CG 3.48Å; M91-E195 HydrophobicContact CE-CG 3.99Å; M91-E195 WeakPolarHBondContact CE-OE1 3.42Å; M91-E195 HydrophobicContact SD-CG 3.93Å; M91-M196 HydrophobicContact SD-CG 3.99Å |
| 92 | D | 93.9 | Very high | 93.5 | Very high | 79 Ų | 79 | 53 Ų | 53 | 42% | 0.422 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 178.3 | -65.7 | -20.5 | 0 | 0 | 0 | 111.3 | K88 K89 S94 S95 | K88-D92 WeakPolarHBondContact CE-OD1 3.43Å; K88-D92 WeakPolarHBondContact CE-OD2 3.32Å; K88-D92 IonicContact NZ-OD1 3.77Å; K88-D92 PolarHBondContact NZ-OD1 3.41Å; K88-D92 IonicContact NZ-OD2 3.03Å; K88-D92 VanDerWaalsContact O-CG 3.28Å; K88-D92 PolarHBondContact O-N 3.16Å; K89-D92 PolarHBondContact O-N 3.09Å; D92-S94 PolarHBondContact O-N 3.27Å; D92-S95 VanDerWaalsContact O-CB 3.29Å; D92-S95 WeakPolarHBondContact O-CB 3.26Å; D92-S95 PolarHBondContact O-N 3.36Å; D92-S95 PolarHBondContact O-OG 3.17Å |
| 93 | S | 92.9 | Very high | 93.6 | Very high | 78 Ų | 78 | 51.1 Ų | 51.1 | 55% | 0.545 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.4 | -23.9 | 174.3 | 64.1 | 0 | 0 | 0 | 0 | 113.4 | K89 F90 | K89-S93 PolarHBondContact O-N 3.46Å; K89-S93 PolarHBondContact O-OG 3.03Å; F90-S93 WeakPolarHBondContact CA-OG 3.05Å; F90-S93 PolarHBondContact O-OG 2.92Å |
| 94 | S | 92 | Very high | 93.9 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 11.7 | 178.5 | -51.3 | 0 | 0 | 0 | 0 | 112.7 | F90 M91 D92 V96 T97 G98 | F90-S94 VanDerWaalsContact O-CB 3.25Å; F90-S94 WeakPolarHBondContact O-CB 3.46Å; F90-S94 PolarHBondContact O-N 3.02Å; F90-S94 PolarHBondContact O-OG 2.89Å; M91-S94 CarbonylContact O-C 3.32Å; M91-S94 PolarHBondContact O-N 3.12Å; M91-S94 VanDerWaalsContact O-N 3.12Å; D92-S94 PolarHBondContact O-N 3.27Å; S94-V96 PolarHBondContact O-N 3.33Å; S94-T97 PolarHBondContact O-N 3Å; S94-G98 WeakPolarHBondContact O-CA 3.34Å; S94-G98 PolarHBondContact O-N 3.16Å |
| 95 | S | 88.1 | Confident | 94.2 | Very high | 67 Ų | 67 | 47 Ų | 47 | 47% | 0.469 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -36.3 | -175.2 | 51.8 | 0 | 0 | 0 | 0 | 113.1 | M91 D92 R199 | M91-S95 PolarHBondContact O-N 3.34Å; D92-S95 VanDerWaalsContact O-CB 3.29Å; D92-S95 WeakPolarHBondContact O-CB 3.26Å; D92-S95 PolarHBondContact O-N 3.36Å; D92-S95 PolarHBondContact O-OG 3.17Å; S95-R199 WeakPolarHBondContact O-CD 3.21Å; S95-R199 PolarHBondContact O-NH1 3.26Å |
| 96 | V | 87 | Confident | 94.5 | Very high | 127 Ų | 127 | 45.7 Ų | 45.7 | 77% | 0.77 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -53.8 | 178.6 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | S94 R199 | S94-V96 PolarHBondContact O-N 3.33Å; V96-R199 PolarHBondContact O-NH1 3.03Å |
| 97 | T | 89.1 | Confident | 94.7 | Very high | 123 Ų | 123 | 44.5 Ų | 44.5 | 76% | 0.755 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -20.9 | -172.6 | 53.4 | 0 | 0 | 0 | 0 | 113.9 | S94 | S94-T97 PolarHBondContact O-N 3Š|
| 98 | G | 92.5 | Very high | 94.8 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 17% | 0.165 | 26% | 0.262 | C | S | . | . | trans | 71.4 | 174.7 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S94 | S94-G98 WeakPolarHBondContact O-CA 3.34Å; S94-G98 PolarHBondContact O-N 3.16Å | ||
| 99 | I | 95.5 | Very high | 95 | Very high | 20 Ų | 20 | 44.5 Ų | 44.5 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | trans | -97.7 | 128.3 | 171.5 | -58.6 | 177.9 | 0 | 0 | 0 | 107.3 | F90 M91 L101 L103 V104 | F90-I99 HydrophobicContact CD1-CD1 3.85Å; F90-I99 HydrophobicContact CD1-CG1 4.36Å; F90-I99 HydrophobicContact CE1-CD1 3.76Å; F90-I99 HydrophobicContact CE1-CG1 3.88Å; F90-I99 HydrophobicContact CE1-CG2 4.19Å; M91-I99 HydrophobicContact CG-CD1 3.69Å; I99-L101 PolarHBondContact O-N 3.37Å; I99-L103 HydrophobicContact CG2-CB 4.03Å; I99-L103 HydrophobicContact CG2-CD2 3.91Å; I99-L103 HydrophobicContact CG2-CG 4.06Å; I99-V104 HydrophobicContact CB-CG2 3.87Å; I99-V104 HydrophobicContact CG2-CG2 3.58Å | ||
| 100 | P | 95.6 | Very high | 95.2 | Very high | 85 Ų | 85 | 39.5 Ų | 39.5 | 55% | 0.552 | 24% | 0.241 | S | C | * | . | trans | -56.8 | 134.9 | 175.1 | -25.1 | 34.4 | 0 | 0 | 0 | 111.6 | P102 L103 V104 | P100-P102 VanDerWaalsContact C-CD 3.42Å; P100-P102 VanDerWaalsContact C-N 3.31Å; P100-L103 WeakPolarHBondContact O-CA 3.47Å; P100-L103 WeakPolarHBondContact O-CB 3.28Å; P100-L103 PolarHBondContact O-N 3.19Å; P100-V104 PolarHBondContact O-N 3.22Å; P100-V104 VanDerWaalsContact O-N 3.09Å | ||
| 101 | L | 96.3 | Very high | 95.4 | Very high | 58 Ų | 58 | 39.2 Ų | 39.2 | 30% | 0.304 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -53.6 | -38.3 | -178.4 | -175.7 | 63 | 0 | 0 | 0 | 113.9 | I99 L103 V104 K105 L255 F285 | I99-L101 PolarHBondContact O-N 3.37Å; L101-L103 VanDerWaalsContact C-N 3.26Å; L101-L103 PolarHBondContact O-N 3.15Å; L101-V104 HydrophobicContact CD1-CB 4.45Å; L101-V104 PolarHBondContact O-N 3.37Å; L101-K105 WeakPolarHBondContact O-CB 3.26Å; L101-K105 PolarHBondContact O-N 3.02Å; L101-L255 HydrophobicContact CD1-CD1 4.04Å; L101-F285 HydrophobicContact CD1-CZ 4.4Å |
| 102 | P | 97.5 | Very high | 95.5 | Very high | 69 Ų | 69 | 38.5 Ų | 38.5 | 45% | 0.448 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.4 | -36 | 173.5 | -27.4 | 36.9 | 0 | 0 | 0 | 113.8 | P100 S106 P292 | P100-P102 VanDerWaalsContact C-CD 3.42Å; P100-P102 VanDerWaalsContact C-N 3.31Å; P102-S106 WeakPolarHBondContact O-CB 3.5Å; P102-S106 PolarHBondContact O-N 3.36Å; P102-P292 HydrophobicContact CB-CG 4.18Å |
| 103 | L | 97.8 | Very high | 95.8 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.6 | -38.6 | 177.2 | -176.5 | 61.9 | 0 | 0 | 0 | 111.4 | F90 I99 P100 L101 K105 S106 Y107 P292 P294 | F90-L103 HydrophobicContact CE1-CD2 3.96Å; F90-L103 HydrophobicContact CZ-CD2 3.82Å; I99-L103 HydrophobicContact CG2-CB 4.03Å; I99-L103 HydrophobicContact CG2-CD2 3.91Å; I99-L103 HydrophobicContact CG2-CG 4.06Å; P100-L103 WeakPolarHBondContact O-CA 3.47Å; P100-L103 WeakPolarHBondContact O-CB 3.28Å; P100-L103 PolarHBondContact O-N 3.19Å; L101-L103 VanDerWaalsContact C-N 3.26Å; L101-L103 PolarHBondContact O-N 3.15Å; L103-K105 VanDerWaalsContact C-N 3.32Å; L103-K105 PolarHBondContact O-N 3.38Å; L103-S106 WeakPolarHBondContact O-CB 3.11Å; L103-S106 PolarHBondContact O-N 2.98Å; L103-Y107 HydrophobicContact CD1-CD1 4.07Å; L103-Y107 HydrophobicContact CD1-CD2 4.45Å; L103-Y107 HydrophobicContact CD1-CE1 3.6Å; L103-Y107 HydrophobicContact CD1-CE2 4.02Å; L103-Y107 HydrophobicContact CD1-CG 4.49Å; L103-Y107 HydrophobicContact CD2-CE2 4.21Å; L103-Y107 HydrophobicContact CG-CD2 4.25Å; L103-Y107 HydrophobicContact CG-CE1 4.37Å; L103-Y107 HydrophobicContact CG-CE2 3.9Å; L103-Y107 WeakPolarHBondContact O-CB 3.25Å; L103-Y107 PolarHBondContact O-N 3Å; L103-P292 HydrophobicContact CB-CG 3.96Å; L103-P292 HydrophobicContact CD1-CG 4.05Å; L103-P294 HydrophobicContact CD2-CB 3.84Å |
| 104 | V | 98.2 | Very high | 96 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.1 | -46.7 | 171.4 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | I99 P100 L101 Y107 L108 F193 M196 V197 | I99-V104 HydrophobicContact CB-CG2 3.87Å; I99-V104 HydrophobicContact CG2-CG2 3.58Å; P100-V104 PolarHBondContact O-N 3.22Å; P100-V104 VanDerWaalsContact O-N 3.09Å; L101-V104 HydrophobicContact CD1-CB 4.45Å; L101-V104 PolarHBondContact O-N 3.37Å; V104-Y107 PolarHBondContact O-N 3.16Å; V104-L108 WeakPolarHBondContact O-CB 3.14Å; V104-L108 PolarHBondContact O-N 2.9Å; V104-F193 HydrophobicContact CG1-CD2 3.9Å; V104-F193 HydrophobicContact CG1-CE2 3.89Å; V104-M196 HydrophobicContact CG1-CB 3.89Å; V104-M196 HydrophobicContact CG1-CE 4.05Å; V104-M196 HydrophobicContact CG1-SD 4.45Å; V104-M196 HydrophobicContact CG2-CB 4.1Å; V104-V197 HydrophobicContact CG1-CG2 3.97Å |
| 105 | K | 98.6 | Very high | 96.2 | Very high | 11 Ų | 11 | 33.5 Ų | 33.5 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.5 | -46.4 | 177.9 | -172.1 | 178.9 | -70 | -170.7 | 0 | 111.3 | L101 L103 L108 F109 F285 F286 D288 V289 | L101-K105 WeakPolarHBondContact O-CB 3.26Å; L101-K105 PolarHBondContact O-N 3.02Å; L103-K105 VanDerWaalsContact C-N 3.32Å; L103-K105 PolarHBondContact O-N 3.38Å; K105-L108 PolarHBondContact O-N 3.39Å; K105-F109 VanDerWaalsContact O-CB 3.31Å; K105-F109 WeakPolarHBondContact O-CB 3.3Å; K105-F109 PolarHBondContact O-N 3.32Å; K105-F285 HydrophobicContact CB-CE1 4.13Å; K105-F285 HydrophobicContact CB-CZ 4.17Å; K105-F285 VanDerWaalsContact CD-O 3.22Å; K105-F285 WeakPolarHBondContact CD-O 3.48Å; K105-F285 WeakPolarHBondContact CE-O 3.41Å; K105-F285 HydrophobicContact CG-CD1 4.27Å; K105-F285 HydrophobicContact CG-CE1 3.81Å; K105-F285 HydrophobicContact CG-CZ 4.12Å; K105-F285 PolarHBondContact NZ-O 2.93Å; K105-F285 VanDerWaalsContact NZ-O 3.13Å; K105-F286 HydrophobicContact CG-CD1 3.87Å; K105-F286 HydrophobicContact CG-CE1 4.18Å; K105-D288 IonicContact NZ-OD1 2.6Å; K105-D288 PolarHBondContact NZ-OD1 2.84Å; K105-D288 IonicContact NZ-OD2 3.77Å; K105-D288 PolarHBondContact NZ-OD2 3.26Å; K105-V289 HydrophobicContact CD-CB 4.24Å; K105-V289 HydrophobicContact CD-CG2 4.5Å; K105-V289 HydrophobicContact CG-CB 4.23Å; K105-V289 HydrophobicContact CG-CG2 4.02Å |
| 106 | S | 98.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.4 | -51 | 174.3 | 176.8 | 0 | 0 | 0 | 0 | 112.3 | P102 L103 F109 Q110 S290 M291 | P102-S106 WeakPolarHBondContact O-CB 3.5Å; P102-S106 PolarHBondContact O-N 3.36Å; L103-S106 WeakPolarHBondContact O-CB 3.11Å; L103-S106 PolarHBondContact O-N 2.98Å; S106-F109 PolarHBondContact O-N 3.16Å; S106-Q110 WeakPolarHBondContact O-CB 3.45Å; S106-Q110 WeakPolarHBondContact O-CG 3.35Å; S106-Q110 PolarHBondContact O-N 3.21Å; S106-Q110 PolarHBondContact O-NE2 3.35Å; S106-Q110 PolarHBondContact OG-NE2 3.49Å; S106-S290 VanDerWaalsContact CB-O 3.25Å; S106-S290 WeakPolarHBondContact CB-O 3.32Å; S106-S290 PolarHBondContact OG-O 3.08Å; S106-M291 PolarHBondContact OG-SD 3Å |
| 107 | Y | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.2 | -45.4 | -179.3 | -74.3 | -11.7 | 0 | 0 | 0 | 112.1 | L87 F90 L103 V104 F109 Q110 L111 I135 I141 M196 | L87-Y107 HydrophobicContact CD1-CD2 4.04Å; L87-Y107 HydrophobicContact CD1-CE2 4.1Å; F90-Y107 HydrophobicContact CD1-CE2 4.32Å; F90-Y107 HydrophobicContact CE1-CE2 4.09Å; L103-Y107 HydrophobicContact CD1-CD1 4.07Å; L103-Y107 HydrophobicContact CD1-CD2 4.45Å; L103-Y107 HydrophobicContact CD1-CE1 3.6Å; L103-Y107 HydrophobicContact CD1-CE2 4.02Å; L103-Y107 HydrophobicContact CD1-CG 4.49Å; L103-Y107 HydrophobicContact CD2-CE2 4.21Å; L103-Y107 HydrophobicContact CG-CD2 4.25Å; L103-Y107 HydrophobicContact CG-CE1 4.37Å; L103-Y107 HydrophobicContact CG-CE2 3.9Å; L103-Y107 WeakPolarHBondContact O-CB 3.25Å; L103-Y107 PolarHBondContact O-N 3Å; V104-Y107 PolarHBondContact O-N 3.16Å; Y107-F109 VanDerWaalsContact C-N 3.31Å; Y107-F109 PolarHBondContact O-N 3.49Å; Y107-Q110 PolarHBondContact O-N 3.27Å; Y107-L111 WeakPolarHBondContact O-CB 3.39Å; Y107-L111 WeakPolarHBondContact O-CD1 3.1Å; Y107-L111 WeakPolarHBondContact O-CG 3.16Å; Y107-L111 PolarHBondContact O-N 3.44Å; Y107-I135 HydrophobicContact CE1-CG2 4.19Å; Y107-I135 HydrophobicContact CE2-CG2 4.07Å; Y107-I141 HydrophobicContact CD1-CB 3.7Å; Y107-I141 HydrophobicContact CD1-CD1 4.24Å; Y107-I141 HydrophobicContact CD1-CG2 3.67Å; Y107-I141 HydrophobicContact CD2-CD1 4.02Å; Y107-I141 HydrophobicContact CE1-CB 4.04Å; Y107-I141 HydrophobicContact CE1-CG2 4.46Å; Y107-I141 HydrophobicContact CG-CB 4.18Å; Y107-I141 HydrophobicContact CG-CD1 3.85Å; Y107-I141 HydrophobicContact CG-CG2 4.08Å; Y107-M196 HydrophobicContact CD2-SD 4.28Å |
| 108 | L | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -58.7 | -44.7 | 176.3 | -178.3 | 63 | 0 | 0 | 0 | 111.5 | V104 K105 L111 L112 L189 F193 M196 L262 M266 F285 F286 | V104-L108 WeakPolarHBondContact O-CB 3.14Å; V104-L108 PolarHBondContact O-N 2.9Å; K105-L108 PolarHBondContact O-N 3.39Å; L108-L111 PolarHBondContact O-N 3.31Å; L108-L112 HydrophobicContact CD1-CD1 4.39Å; L108-L112 HydrophobicContact CD1-CG 4.43Å; L108-L112 HydrophobicContact CG-CD1 4.09Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 VanDerWaalsContact O-CG 3.3Å; L108-L112 WeakPolarHBondContact O-CG 3.3Å; L108-L112 PolarHBondContact O-N 3.49Å; L108-L189 HydrophobicContact CD1-CD1 4.11Å; L108-L189 HydrophobicContact CD1-CD2 3.95Å; L108-L189 HydrophobicContact CD1-CG 3.79Å; L108-F193 HydrophobicContact CD1-CB 4.1Å; L108-F193 HydrophobicContact CD1-CG 4.29Å; L108-F193 HydrophobicContact CD2-CB 4.42Å; L108-F193 HydrophobicContact CD2-CD1 3.69Å; L108-F193 HydrophobicContact CD2-CD2 3.79Å; L108-F193 HydrophobicContact CD2-CE1 3.74Å; L108-F193 HydrophobicContact CD2-CE2 3.84Å; L108-F193 HydrophobicContact CD2-CG 3.71Å; L108-F193 HydrophobicContact CD2-CZ 3.79Å; L108-M196 HydrophobicContact CB-CE 4.47Å; L108-L262 HydrophobicContact CD2-CD2 3.92Å; L108-M266 HydrophobicContact CD1-CE 4.25Å; L108-F285 HydrophobicContact CD2-CD1 4.4Å; L108-F285 HydrophobicContact CD2-CE1 4.06Å; L108-F286 HydrophobicContact CB-CE1 4.32Å; L108-F286 HydrophobicContact CB-CZ 4.43Å; L108-F286 HydrophobicContact CD2-CE1 4.14Å; L108-F286 HydrophobicContact CD2-CZ 3.71Å; L108-F286 HydrophobicContact CG-CE1 4.21Å; L108-F286 HydrophobicContact CG-CZ 3.83Å |
| 109 | F | 98.9 | Very high | 97 | Very high | 50 Ų | 50 | 22 Ų | 22 | 22% | 0.219 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.4 | -46.3 | 179.3 | -173.5 | -109.7 | 0 | 0 | 0 | 112.2 | K105 S106 Y107 L112 Q113 L281 F286 V289 | K105-F109 VanDerWaalsContact O-CB 3.31Å; K105-F109 WeakPolarHBondContact O-CB 3.3Å; K105-F109 PolarHBondContact O-N 3.32Å; S106-F109 PolarHBondContact O-N 3.16Å; Y107-F109 VanDerWaalsContact C-N 3.31Å; Y107-F109 PolarHBondContact O-N 3.49Å; F109-L112 PolarHBondContact O-N 3.09Å; F109-Q113 HydrophobicContact CE1-CG 4.49Å; F109-Q113 WeakPolarHBondContact O-CG 3.25Å; F109-Q113 PolarHBondContact O-N 3.5Å; F109-L281 HydrophobicContact CD2-CD2 3.69Å; F109-L281 HydrophobicContact CE2-CD2 3.57Å; F109-L281 HydrophobicContact CG-CD2 4.41Å; F109-L281 HydrophobicContact CZ-CD2 4.2Å; F109-F286 HydrophobicContact CB-CD1 3.81Å; F109-F286 HydrophobicContact CB-CE1 3.74Å; F109-F286 HydrophobicContact CD2-CB 3.99Å; F109-F286 AromaticContact CD2-CD1 3.68Å; F109-F286 HydrophobicContact CD2-CD1 3.68Å; F109-F286 HydrophobicContact CD2-CD2 4.07Å; F109-F286 HydrophobicContact CD2-CE1 4.14Å; F109-F286 HydrophobicContact CD2-CE2 4.49Å; F109-F286 AromaticContact CD2-CG 3.64Å; F109-F286 HydrophobicContact CD2-CG 3.64Å; F109-F286 HydrophobicContact CE2-CB 4.24Å; F109-F286 HydrophobicContact CE2-CG 4.29Å; F109-F286 HydrophobicContact CG-CD1 4.13Å; F109-F286 HydrophobicContact CG-CE1 4.44Å; F109-V289 HydrophobicContact CB-CG2 4Å; F109-V289 HydrophobicContact CD1-CG1 4.26Å; F109-V289 HydrophobicContact CD1-CG2 4.3Å; F109-V289 HydrophobicContact CE1-CG1 4.34Å; F109-V289 HydrophobicContact CG-CG1 4.38Å; F109-V289 HydrophobicContact CG-CG2 4.16Å |
| 110 | Q | 98.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 25 Ų | 25 | 3% | 0.028 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63 | -42.2 | 176.3 | -77.9 | -176.7 | 75 | 0 | 0 | 113 | N62 S106 Y107 Q113 G114 G139 E140 I141 M291 | N62-Q110 WeakPolarHBondContact CB-O 3.42Å; N62-Q110 VanDerWaalsContact ND2-CB 3.32Å; N62-Q110 WeakPolarHBondContact ND2-CB 3.48Å; N62-Q110 PolarHBondContact ND2-OE1 3.42Å; N62-Q110 VanDerWaalsContact ND2-OE1 3.08Å; N62-Q110 PolarHBondContact OD1-O 2.82Å; S106-Q110 WeakPolarHBondContact O-CB 3.45Å; S106-Q110 WeakPolarHBondContact O-CG 3.35Å; S106-Q110 PolarHBondContact O-N 3.21Å; S106-Q110 PolarHBondContact O-NE2 3.35Å; S106-Q110 PolarHBondContact OG-NE2 3.49Å; Y107-Q110 PolarHBondContact O-N 3.27Å; Q110-Q113 WeakPolarHBondContact O-CB 3.32Å; Q110-Q113 PolarHBondContact O-N 2.93Å; Q110-G114 PolarHBondContact O-N 2.94Å; Q110-G139 PolarHBondContact NE2-O 3.5Å; Q110-E140 VanDerWaalsContact OE1-CA 3.31Å; Q110-I141 HydrophobicContact CB-CG2 3.46Å; Q110-I141 VanDerWaalsContact CB-CG2 3.46Å; Q110-I141 HydrophobicContact CG-CG2 4.33Å; Q110-M291 HydrophobicContact CG-SD 4.17Å; Q110-M291 PolarHBondContact NE2-SD 3.26Å |
| 111 | L | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.7 | -40.4 | 176.5 | -68.9 | 168.8 | 0 | 0 | 0 | 111.6 | Y107 L108 Q113 G114 L115 L133 I141 L143 L189 | Y107-L111 WeakPolarHBondContact O-CB 3.39Å; Y107-L111 WeakPolarHBondContact O-CD1 3.1Å; Y107-L111 WeakPolarHBondContact O-CG 3.16Å; Y107-L111 PolarHBondContact O-N 3.44Å; L108-L111 PolarHBondContact O-N 3.31Å; L111-Q113 VanDerWaalsContact C-N 3.34Å; L111-G114 PolarHBondContact O-N 3.47Å; L111-L115 WeakPolarHBondContact O-CG 3.43Å; L111-L115 PolarHBondContact O-N 3.42Å; L111-L133 HydrophobicContact CD1-CD1 3.75Å; L111-L133 HydrophobicContact CD2-CD1 4Å; L111-L133 HydrophobicContact CD2-CD2 3.54Å; L111-L133 HydrophobicContact CD2-CG 4.26Å; L111-I141 HydrophobicContact CD1-CD1 3.97Å; L111-I141 HydrophobicContact CD2-CD1 4.16Å; L111-I141 HydrophobicContact CD2-CG1 4Å; L111-I141 HydrophobicContact CD2-CG2 4.26Å; L111-I141 HydrophobicContact CG-CD1 4.2Å; L111-I141 HydrophobicContact CG-CG1 4.36Å; L111-I141 HydrophobicContact CG-CG2 3.98Å; L111-L143 HydrophobicContact CD2-CD2 3.58Å; L111-L143 HydrophobicContact CD2-CG 4.3Å; L111-L189 HydrophobicContact CB-CD1 3.82Å; L111-L189 HydrophobicContact CB-CD2 4.01Å; L111-L189 HydrophobicContact CD1-CD1 3.55Å; L111-L189 HydrophobicContact CG-CD1 4.28Å |
| 112 | L | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63 | -38.6 | 173.9 | -75.1 | 169.5 | 0 | 0 | 0 | 112 | L108 F109 L115 A116 L189 M266 A277 A280 L281 F286 | L108-L112 HydrophobicContact CD1-CD1 4.39Å; L108-L112 HydrophobicContact CD1-CG 4.43Å; L108-L112 HydrophobicContact CG-CD1 4.09Å; L108-L112 WeakPolarHBondContact O-CB 3.48Å; L108-L112 VanDerWaalsContact O-CG 3.3Å; L108-L112 WeakPolarHBondContact O-CG 3.3Å; L108-L112 PolarHBondContact O-N 3.49Å; F109-L112 PolarHBondContact O-N 3.09Å; L112-L115 PolarHBondContact O-N 2.84Å; L112-A116 VanDerWaalsContact O-CB 3.25Å; L112-A116 WeakPolarHBondContact O-CB 3.49Å; L112-A116 PolarHBondContact O-N 2.91Å; L112-L189 HydrophobicContact CD2-CD2 3.7Å; L112-L189 HydrophobicContact CG-CD2 3.88Å; L112-M266 HydrophobicContact CD2-CE 4.41Å; L112-A277 HydrophobicContact CD2-CB 4.23Å; L112-A280 HydrophobicContact CD1-CB 3.78Å; L112-A280 HydrophobicContact CD2-CB 3.77Å; L112-A280 HydrophobicContact CG-CB 4.41Å; L112-L281 HydrophobicContact CB-CD2 3.62Å; L112-L281 HydrophobicContact CB-CG 3.97Å; L112-F286 HydrophobicContact CD1-CE2 3.64Å; L112-F286 HydrophobicContact CD1-CZ 3.54Å |
| 113 | Q | 98.7 | Very high | 95.1 | Very high | 63 Ų | 63 | 33 Ų | 33 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.5 | -47.7 | 173.6 | -71 | 173.9 | 70.9 | 0 | 0 | 111.2 | F109 Q110 L111 L115 A116 F117 L281 | F109-Q113 HydrophobicContact CE1-CG 4.49Å; F109-Q113 WeakPolarHBondContact O-CG 3.25Å; F109-Q113 PolarHBondContact O-N 3.5Å; Q110-Q113 WeakPolarHBondContact O-CB 3.32Å; Q110-Q113 PolarHBondContact O-N 2.93Å; L111-Q113 VanDerWaalsContact C-N 3.34Å; Q113-L115 PolarHBondContact O-N 2.8Å; Q113-A116 PolarHBondContact O-N 3.19Å; Q113-F117 PolarHBondContact O-N 3.39Å; Q113-L281 HydrophobicContact CG-CD1 4.26Å; Q113-L281 HydrophobicContact CG-CD2 3.66Å |
| 114 | G | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.8 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q110 L111 F117 C118 L143 | Q110-G114 PolarHBondContact O-N 2.94Å; L111-G114 PolarHBondContact O-N 3.47Å; G114-F117 WeakPolarHBondContact O-CB 3.45Å; G114-F117 PolarHBondContact O-N 3.36Å; G114-C118 PolarHBondContact O-N 3.34Å; G114-C118 PolarHBondContact O-SG 2.9Å; G114-L143 VanDerWaalsContact C-CD1 3.5Å |
| 115 | L | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.2 | -40.4 | 178.6 | -70.3 | 179.5 | 0 | 0 | 0 | 112.8 | L111 L112 Q113 F117 C118 H119 H125 L128 L143 D185 L189 A277 | L111-L115 WeakPolarHBondContact O-CG 3.43Å; L111-L115 PolarHBondContact O-N 3.42Å; L112-L115 PolarHBondContact O-N 2.84Å; Q113-L115 PolarHBondContact O-N 2.8Å; L115-F117 VanDerWaalsContact C-N 3.26Å; L115-F117 PolarHBondContact O-N 2.84Å; L115-C118 PolarHBondContact O-N 2.88Å; L115-H119 VanDerWaalsContact O-CB 3.3Å; L115-H119 WeakPolarHBondContact O-CB 3.43Å; L115-H119 PolarHBondContact O-CD2 2.84Å; L115-H119 PolarHBondContact O-N 3.39Å; L115-H125 HydrophobicContact CD2-CB 4.43Å; L115-L128 HydrophobicContact CD1-CD1 3.82Å; L115-L128 HydrophobicContact CD2-CD1 3.94Å; L115-L128 HydrophobicContact CG-CD1 4.45Å; L115-L143 HydrophobicContact CD2-CD1 3.79Å; L115-L143 HydrophobicContact CD2-CD2 4.45Å; L115-L143 HydrophobicContact CG-CD1 4.04Å; L115-D185 HydrophobicContact CD1-CB 4.25Å; L115-D185 HydrophobicContact CD2-CB 4.15Å; L115-L189 HydrophobicContact CD1-CB 4.26Å; L115-L189 HydrophobicContact CD1-CD2 3.69Å; L115-A277 HydrophobicContact CB-CB 4.05Å |
| 116 | A | 97.6 | Very high | 93.3 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 17% | 0.174 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.7 | -42 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | L112 Q113 S120 A277 L281 | L112-A116 VanDerWaalsContact O-CB 3.25Å; L112-A116 WeakPolarHBondContact O-CB 3.49Å; L112-A116 PolarHBondContact O-N 2.91Å; Q113-A116 PolarHBondContact O-N 3.19Å; A116-S120 WeakPolarHBondContact O-CB 3.34Å; A116-S120 PolarHBondContact O-N 2.94Å; A116-S120 PolarHBondContact O-OG 3.05Å; A116-A277 HydrophobicContact CB-CB 3.91Å; A116-L281 HydrophobicContact CB-CD1 3.97Å |
| 117 | F | 95.1 | Very high | 92.6 | Very high | 42 Ų | 42 | 39.8 Ų | 39.8 | 18% | 0.184 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.2 | -52.4 | 173.3 | 179.9 | -91.5 | 0 | 0 | 0 | 111.4 | L58 H60 I63 Q113 G114 L115 H119 S120 H121 | L58-F117 HydrophobicContact CB-CE1 4.39Å; L58-F117 HydrophobicContact CD2-CD1 4.44Å; L58-F117 HydrophobicContact CD2-CE1 3.79Å; H60-F117 HydrophobicContact CB-CB 4.43Å; H60-F117 HydrophobicContact CB-CD1 3.87Å; H60-F117 HydrophobicContact CB-CD2 4.28Å; H60-F117 HydrophobicContact CB-CE1 4.14Å; H60-F117 HydrophobicContact CB-CG 3.93Å; H60-F117 HydrophobicContact CB-CZ 4.47Å; H60-F117 AromaticContact CD2-CD2 3.79Å; H60-F117 AromaticContact CD2-CG 3.78Å; H60-F117 AromaticContact CG-CG 3.96Å; I63-F117 HydrophobicContact CD1-CD1 3.49Å; I63-F117 VanDerWaalsContact CD1-CD1 3.49Å; I63-F117 HydrophobicContact CD1-CE1 4.04Å; I63-F117 HydrophobicContact CD1-CG 4.42Å; Q113-F117 PolarHBondContact O-N 3.39Å; G114-F117 WeakPolarHBondContact O-CB 3.45Å; G114-F117 PolarHBondContact O-N 3.36Å; L115-F117 VanDerWaalsContact C-N 3.26Å; L115-F117 PolarHBondContact O-N 2.84Å; F117-H119 PolarHBondContact O-N 3.13Å; F117-S120 PolarHBondContact O-N 3Å; F117-S120 PolarHBondContact O-OG 2.81Å; F117-H121 AromaticContact CD2-CE1 3.74Å; F117-H121 AromaticContact CE2-CE1 3.32Å; F117-H121 WeakPolarHBondContact CE2-CE1 3.5Å; F117-H121 AromaticContact CE2-ND1 3.88Å; F117-H121 AromaticContact CZ-CE1 3.56Å; F117-H121 AromaticContact CZ-ND1 3.88Å; F117-H121 PolarHBondContact O-N 2.93Å; F117-H121 PolarHBondContact O-ND1 3.27Å |
| 118 | C | 90.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57 | -47.3 | 178.4 | -64.9 | 0 | 0 | 0 | 0 | 112.7 | I63 G114 L115 S120 H121 R122 V123 F146 | I63-C118 WeakPolarHBondContact CD1-SG 3.46Å; G114-C118 PolarHBondContact O-N 3.34Å; G114-C118 PolarHBondContact O-SG 2.9Å; L115-C118 PolarHBondContact O-N 2.88Å; C118-S120 VanDerWaalsContact C-N 3.33Å; C118-S120 PolarHBondContact O-N 2.78Å; C118-H121 CarbonylContact O-C 3.48Å; C118-H121 WeakPolarHBondContact O-CA 3.47Å; C118-H121 PolarHBondContact O-N 3.44Å; C118-R122 PolarHBondContact O-N 3.22Å; C118-V123 CarbonylContact C-O 3.52Å; C118-V123 HydrophobicContact CB-CB 4.21Å; C118-V123 HydrophobicContact CB-CG1 4.47Å; C118-V123 PolarHBondContact O-N 2.8Å; C118-F146 HydrophobicContact CB-CE1 4.32Å; C118-F146 WeakPolarHBondContact SG-CE1 3.16Å; C118-F146 WeakPolarHBondContact SG-CZ 3.48Å |
| 119 | H | 90.8 | Very high | 92 | Very high | 29 Ų | 29 | 41.6 Ų | 41.6 | 13% | 0.134 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -38.1 | -177.8 | -66.9 | 176.5 | 0 | 0 | 0 | 111.6 | L115 F117 H121 R122 V123 T182 D185 | L115-H119 VanDerWaalsContact O-CB 3.3Å; L115-H119 WeakPolarHBondContact O-CB 3.43Å; L115-H119 PolarHBondContact O-CD2 2.84Å; L115-H119 PolarHBondContact O-N 3.39Å; F117-H119 PolarHBondContact O-N 3.13Å; H119-H121 PolarHBondContact O-N 3.43Å; H119-R122 PolarHBondContact O-N 2.97Å; H119-R122 VanDerWaalsContact O-N 3.1Å; H119-V123 PolarHBondContact CD2-O 2.65Å; H119-T182 HydrophobicContact CB-CG2 3.72Å; H119-T182 PolarHBondContact CE1-O 2.85Å; H119-T182 VanDerWaalsContact CG-CG2 3.42Å; H119-T182 WeakPolarHBondContact ND1-CB 3.36Å; H119-D185 IonicContact CD2-OD2 3Å; H119-D185 IonicContact CE1-OD2 2.66Å; H119-D185 IonicContact NE2-OD2 2.82Å; H119-D185 PolarHBondContact NE2-OD2 2.76Å |
| 120 | S | 91.6 | Very high | 91.9 | Very high | 84 Ų | 84 | 39.2 Ų | 39.2 | 59% | 0.587 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -65.4 | -26 | 174 | 71 | 0 | 0 | 0 | 0 | 113.5 | A116 F117 C118 | A116-S120 WeakPolarHBondContact O-CB 3.34Å; A116-S120 PolarHBondContact O-N 2.94Å; A116-S120 PolarHBondContact O-OG 3.05Å; F117-S120 PolarHBondContact O-N 3Å; F117-S120 PolarHBondContact O-OG 2.81Å; C118-S120 VanDerWaalsContact C-N 3.33Å; C118-S120 PolarHBondContact O-N 2.78Å |
| 121 | H | 86.4 | Confident | 91.6 | Very high | 103 Ų | 103 | 42.4 Ų | 42.4 | 48% | 0.477 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 14.4 | 174.9 | -65.4 | 79 | 0 | 0 | 0 | 112.9 | L58 F117 C118 H119 V123 | L58-H121 HydrophobicContact CD2-CB 4.4Å; F117-H121 AromaticContact CD2-CE1 3.74Å; F117-H121 AromaticContact CE2-CE1 3.32Å; F117-H121 WeakPolarHBondContact CE2-CE1 3.5Å; F117-H121 AromaticContact CE2-ND1 3.88Å; F117-H121 AromaticContact CZ-CE1 3.56Å; F117-H121 AromaticContact CZ-ND1 3.88Å; F117-H121 PolarHBondContact O-N 2.93Å; F117-H121 PolarHBondContact O-ND1 3.27Å; C118-H121 CarbonylContact O-C 3.48Å; C118-H121 WeakPolarHBondContact O-CA 3.47Å; C118-H121 PolarHBondContact O-N 3.44Å; H119-H121 PolarHBondContact O-N 3.43Å; H121-V123 HydrophobicContact CB-CG2 4.48Å; H121-V123 PolarHBondContact O-N 3.42Å |
| 122 | R | 84.1 | Confident | 91.3 | Very high | 238 Ų | 238 | 43 Ų | 43 | 90% | 0.898 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60 | 27.4 | 179.6 | -51.3 | 177.3 | -177.4 | 178.1 | 0.3 | 113.7 | C118 H119 | C118-R122 PolarHBondContact O-N 3.22Å; H119-R122 PolarHBondContact O-N 2.97Å; H119-R122 VanDerWaalsContact O-N 3.1Å |
| 123 | V | 82.8 | Confident | 91.2 | Very high | 38 Ų | 38 | 43 Ų | 43 | 23% | 0.23 | 20% | 0.204 | C | C | . | . | trans | -101.1 | 130.5 | 175.8 | 178.6 | 0 | 0 | 0 | 0 | 109.6 | L58 C118 H119 H121 F146 | L58-V123 HydrophobicContact CD1-CG1 4.21Å; L58-V123 HydrophobicContact CD1-CG2 4.33Å; L58-V123 HydrophobicContact CD2-CG2 4.15Å; C118-V123 CarbonylContact C-O 3.52Å; C118-V123 HydrophobicContact CB-CB 4.21Å; C118-V123 HydrophobicContact CB-CG1 4.47Å; C118-V123 PolarHBondContact O-N 2.8Å; H119-V123 PolarHBondContact CD2-O 2.65Å; H121-V123 HydrophobicContact CB-CG2 4.48Å; H121-V123 PolarHBondContact O-N 3.42Å; V123-F146 HydrophobicContact CG1-CD1 4.13Å | ||
| 124 | L | 83.4 | Confident | 91.1 | Very high | 33 Ų | 33 | 41.8 Ų | 41.8 | 17% | 0.173 | 20% | 0.2 | C | C | . | . | trans | -109.1 | 137.8 | 173.6 | -62.4 | 177.5 | 0 | 0 | 0 | 109.5 | R126 T182 | L124-R126 HydrophobicContact CB-CG 3.88Å; L124-T182 VanDerWaalsContact CD2-CA 3.42Å; L124-T182 HydrophobicContact CD2-CG2 3.6Å | ||
| 125 | H | 87.3 | Confident | 91.1 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | trans | -79.4 | -50.8 | -179.9 | -171.4 | -73.5 | 0 | 0 | 0 | 112.3 | L115 D127 L128 A144 F146 D185 | L115-H125 HydrophobicContact CD2-CB 4.43Å; H125-D127 VanDerWaalsContact CE1-C 3.47Å; H125-D127 PolarHBondContact CE1-O 2.62Å; H125-D127 VanDerWaalsContact CE1-O 3.26Å; H125-D127 VanDerWaalsContact ND1-C 3.3Å; H125-D127 PolarHBondContact ND1-N 2.89Å; H125-D127 PolarHBondContact O-N 3.05Å; H125-L128 HydrophobicContact CB-CD2 4.15Å; H125-L128 HydrophobicContact CB-CG 3.98Å; H125-L128 PolarHBondContact ND1-N 2.89Å; H125-A144 PolarHBondContact NE2-O 3Å; H125-F146 HydrophobicContact CB-CE1 4.41Å; H125-F146 AromaticContact CD2-CD1 3.74Å; H125-F146 AromaticContact CD2-CE1 3.65Å; H125-F146 AromaticContact CD2-CZ 3.96Å; H125-D185 WeakPolarHBondContact CB-OD1 3.48Å; H125-D185 PolarHBondContact N-OD1 3.23Å; H125-D185 PolarHBondContact N-OD2 2.95Å | ||
| 126 | R | 84.6 | Confident | 91 | Very high | 75 Ų | 75 | 42.5 Ų | 42.5 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | trans | 69.1 | -18.3 | 174.2 | -51.9 | 171.5 | 175.7 | -153.2 | -12.9 | 117.6 | L124 R150 Y180 D185 | L124-R126 HydrophobicContact CB-CG 3.88Å; R126-R150 VanDerWaalsContact NH2-NH1 3.1Å; R126-Y180 PolarHBondContact NH1-OH 3Å; R126-Y180 VanDerWaalsContact NH2-CE2 3.27Å; R126-D185 PolarHBondContact N-OD1 3.5Å | ||
| 127 | D | 84.8 | Confident | 90.7 | Very high | 50 Ų | 50 | 42.9 Ų | 42.9 | 27% | 0.267 | 21% | 0.207 | S | C | . | . | trans | -126.1 | 44.7 | 176.7 | -171.4 | 35.7 | 0 | 0 | 0 | 111.4 | H125 K129 N132 | H125-D127 VanDerWaalsContact CE1-C 3.47Å; H125-D127 PolarHBondContact CE1-O 2.62Å; H125-D127 VanDerWaalsContact CE1-O 3.26Å; H125-D127 VanDerWaalsContact ND1-C 3.3Å; H125-D127 PolarHBondContact ND1-N 2.89Å; H125-D127 PolarHBondContact O-N 3.05Å; D127-K129 PolarHBondContact O-N 3.31Å; D127-K129 IonicContact OD1-NZ 2.79Å; D127-K129 PolarHBondContact OD1-NZ 2.88Å; D127-K129 IonicContact OD2-NZ 2.72Å; D127-K129 PolarHBondContact OD2-NZ 2.82Å; D127-N132 PolarHBondContact O-ND2 3.13Å; D127-N132 PolarHBondContact OD2-ND2 3.46Å | ||
| 128 | L | 92.4 | Very high | 90.7 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | trans | -70.9 | 122.7 | 176 | -75.5 | 176.6 | 0 | 0 | 0 | 110 | L115 H125 L133 L143 Y168 D185 I192 | L115-L128 HydrophobicContact CD1-CD1 3.82Å; L115-L128 HydrophobicContact CD2-CD1 3.94Å; L115-L128 HydrophobicContact CG-CD1 4.45Å; H125-L128 HydrophobicContact CB-CD2 4.15Å; H125-L128 HydrophobicContact CB-CG 3.98Å; H125-L128 PolarHBondContact ND1-N 2.89Å; L128-L133 HydrophobicContact CD2-CD2 4.2Å; L128-L143 HydrophobicContact CD2-CD2 3.7Å; L128-Y168 WeakPolarHBondContact O-CB 3.33Å; L128-D185 HydrophobicContact CD1-CB 3.81Å; L128-D185 WeakPolarHBondContact CD1-O 3.44Å; L128-I192 HydrophobicContact CB-CD1 4.27Å | ||
| 129 | K | 93.4 | Very high | 90.9 | Very high | 35 Ų | 35 | 46.2 Ų | 46.2 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | trans | -158.6 | 157.5 | 175.3 | 60.3 | -173 | 173.3 | -135.8 | 0 | 108.8 | D127 Q131 N132 Y168 | D127-K129 PolarHBondContact O-N 3.31Å; D127-K129 IonicContact OD1-NZ 2.79Å; D127-K129 PolarHBondContact OD1-NZ 2.88Å; D127-K129 IonicContact OD2-NZ 2.72Å; D127-K129 PolarHBondContact OD2-NZ 2.82Å; K129-Q131 HydrophobicContact CD-CB 4.5Å; K129-Q131 HydrophobicContact CG-CB 4.27Å; K129-Q131 VanDerWaalsContact CG-OE1 3.3Å; K129-Q131 PolarHBondContact O-N 3.17Å; K129-N132 WeakPolarHBondContact CE-ND2 3.1Å; K129-N132 HydrophobicContact CG-CB 4.25Å; K129-N132 PolarHBondContact O-N 2.96Å; K129-Y168 HydrophobicContact CB-CD2 3.55Å; K129-Y168 HydrophobicContact CB-CE2 3.52Å; K129-Y168 HydrophobicContact CB-CG 4.37Å | ||
| 130 | P | 96.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -56.5 | -26.4 | -176.8 | -26.1 | 35.1 | 0 | 0 | 0 | 114.8 | L87 K88 M91 N132 L133 Y168 I192 | L87-P130 HydrophobicContact CB-CB 4.14Å; L87-P130 WeakPolarHBondContact CB-O 3.43Å; L87-P130 HydrophobicContact CD2-CB 4.25Å; L87-P130 HydrophobicContact CG-CB 4.26Å; L87-P130 PolarHBondContact N-O 3.23Å; K88-P130 HydrophobicContact CB-CB 3.91Å; K88-P130 PolarHBondContact N-O 3.01Å; M91-P130 HydrophobicContact CE-CB 3.46Å; M91-P130 VanDerWaalsContact CE-CB 3.46Å; M91-P130 HydrophobicContact CE-CG 3.48Å; M91-P130 VanDerWaalsContact CE-CG 3.48Å; P130-N132 VanDerWaalsContact C-N 3.27Å; P130-N132 PolarHBondContact O-N 3.19Å; P130-L133 PolarHBondContact O-N 3.1Å; P130-Y168 WeakPolarHBondContact CD-OH 3.34Å; P130-Y168 HydrophobicContact CG-CE1 4.22Å; P130-Y168 WeakPolarHBondContact CG-OH 3.26Å; P130-I192 HydrophobicContact CG-CG1 4.27Å |
| 131 | Q | 92.5 | Very high | 91.5 | Very high | 73 Ų | 73 | 44.3 Ų | 44.3 | 34% | 0.341 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -68 | -25.3 | 175.3 | -60.4 | 85.3 | -13.5 | 0 | 0 | 113.3 | K88 K129 | K88-Q131 HydrophobicContact CB-CG 3.93Å; K88-Q131 HydrophobicContact CG-CG 4.19Å; K129-Q131 HydrophobicContact CD-CB 4.5Å; K129-Q131 HydrophobicContact CG-CB 4.27Å; K129-Q131 VanDerWaalsContact CG-OE1 3.3Å; K129-Q131 PolarHBondContact O-N 3.17Å |
| 132 | N | 92.8 | Very high | 92.1 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -97.5 | 9.3 | 179.5 | -68.6 | -6.3 | 0 | 0 | 0 | 112.1 | D127 K129 P130 A144 | D127-N132 PolarHBondContact O-ND2 3.13Å; D127-N132 PolarHBondContact OD2-ND2 3.46Å; K129-N132 WeakPolarHBondContact CE-ND2 3.1Å; K129-N132 HydrophobicContact CG-CB 4.25Å; K129-N132 PolarHBondContact O-N 2.96Å; P130-N132 VanDerWaalsContact C-N 3.27Å; P130-N132 PolarHBondContact O-N 3.19Å; N132-A144 WeakPolarHBondContact O-CB 3.48Å; N132-A144 PolarHBondContact O-N 3.29Å |
| 133 | L | 96.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 115.7 | 177 | -58.1 | -175.5 | 0 | 0 | 0 | 108.6 | D86 L87 L111 L128 P130 I141 L143 I192 | D86-L133 CarbonylContact C-O 3.38Å; D86-L133 VanDerWaalsContact CA-O 3.3Å; D86-L133 WeakPolarHBondContact CA-O 3.44Å; L87-L133 HydrophobicContact CB-CB 3.91Å; L87-L133 HydrophobicContact CD2-CB 4.36Å; L87-L133 HydrophobicContact CD2-CD1 3.7Å; L87-L133 PolarHBondContact N-O 3.39Å; L111-L133 HydrophobicContact CD1-CD1 3.75Å; L111-L133 HydrophobicContact CD2-CD1 4Å; L111-L133 HydrophobicContact CD2-CD2 3.54Å; L111-L133 HydrophobicContact CD2-CG 4.26Å; L128-L133 HydrophobicContact CD2-CD2 4.2Å; P130-L133 PolarHBondContact O-N 3.1Å; L133-I141 HydrophobicContact CB-CD1 4.17Å; L133-I141 HydrophobicContact CB-CG1 4.39Å; L133-L143 HydrophobicContact CD2-CD2 3.62Å; L133-I192 HydrophobicContact CD1-CD1 3.97Å; L133-I192 HydrophobicContact CD1-CG2 4Å |
| 134 | L | 96.5 | Very high | 93 | Very high | 39 Ų | 39 | 27.6 Ų | 27.6 | 20% | 0.204 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 140.1 | -174.4 | -57.2 | -173.6 | 0 | 0 | 0 | 111 | V64 L83 Q85 D86 I141 K142 A144 | V64-L134 HydrophobicContact CG2-CD1 3.99Å; V64-L134 HydrophobicContact CG2-CG 4.47Å; L83-L134 HydrophobicContact CB-CB 3.75Å; L83-L134 HydrophobicContact CB-CD1 4.26Å; L83-L134 HydrophobicContact CD1-CB 4.12Å; L83-L134 HydrophobicContact CD1-CD1 4.1Å; L83-L134 HydrophobicContact CD2-CB 3.82Å; L83-L134 HydrophobicContact CG-CB 4.1Å; Q85-L134 WeakPolarHBondContact O-CA 3.37Å; D86-L134 HydrophobicContact CB-CD2 3.83Å; L134-I141 CarbonylContact O-C 3.49Å; L134-I141 VanDerWaalsContact O-CA 3.32Å; L134-I141 WeakPolarHBondContact O-CA 3.39Å; L134-K142 PolarHBondContact N-O 2.79Å; L134-K142 PolarHBondContact O-N 2.82Å; L134-A144 HydrophobicContact CD1-CB 3.87Å; L134-A144 HydrophobicContact CG-CB 3.84Å |
| 135 | I | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 156.2 | -178.1 | 62.9 | 174.2 | 0 | 0 | 0 | 112.1 | H84 Q85 F90 Y107 E140 I141 L296 | H84-I135 PolarHBondContact N-O 3.35Å; Q85-I135 HydrophobicContact CB-CG1 4.15Å; Q85-I135 PolarHBondContact N-O 2.94Å; Q85-I135 WeakPolarHBondContact O-CG1 3.18Å; Q85-I135 PolarHBondContact O-N 2.9Å; F90-I135 HydrophobicContact CB-CD1 3.55Å; F90-I135 HydrophobicContact CD1-CD1 3.95Å; F90-I135 HydrophobicContact CD2-CD1 3.77Å; F90-I135 HydrophobicContact CE2-CD1 4.49Å; F90-I135 HydrophobicContact CG-CD1 3.46Å; F90-I135 VanDerWaalsContact CG-CD1 3.46Å; Y107-I135 HydrophobicContact CE1-CG2 4.19Å; Y107-I135 HydrophobicContact CE2-CG2 4.07Å; I135-E140 VanDerWaalsContact CA-O 3.25Å; I135-E140 WeakPolarHBondContact CA-O 3.4Å; I135-I141 HydrophobicContact CG2-CB 3.87Å; I135-I141 HydrophobicContact CG2-CD1 3.71Å; I135-I141 HydrophobicContact CG2-CG1 3.61Å; I135-L296 HydrophobicContact CD1-CD2 3.69Å; I135-L296 HydrophobicContact CG1-CD2 4.41Å |
| 136 | N | 94.2 | Very high | 92 | Very high | 15 Ų | 15 | 29.4 Ų | 29.4 | 8% | 0.08 | 15% | 0.145 | C | C | . | . | trans | -125.1 | 174.5 | 172.3 | 70.5 | 14.2 | 0 | 0 | 0 | 112.8 | Q138 G139 E140 P294 L296 | N136-Q138 VanDerWaalsContact CG-OE1 3.27Å; N136-Q138 PolarHBondContact ND2-OE1 2.91Å; N136-Q138 PolarHBondContact O-N 3.47Å; N136-Q138 VanDerWaalsContact O-N 3.16Å; N136-Q138 WeakPolarHBondContact OD1-CA 3.22Å; N136-Q138 WeakPolarHBondContact OD1-CB 3.37Å; N136-Q138 PolarHBondContact OD1-N 2.88Å; N136-G139 PolarHBondContact O-N 3.22Å; N136-G139 PolarHBondContact OD1-N 3.12Å; N136-E140 PolarHBondContact N-O 3.47Å; N136-E140 VanDerWaalsContact N-O 3.16Å; N136-E140 PolarHBondContact ND2-OE2 3.15Å; N136-E140 WeakPolarHBondContact OD1-CB 3.31Å; N136-E140 PolarHBondContact OD1-N 2.92Å; N136-P294 WeakPolarHBondContact O-CG 3.38Å; N136-L296 WeakPolarHBondContact O-CD1 3.05Å | ||
| 137 | A | 92.6 | Very high | 90.7 | Very high | 28 Ų | 28 | 27.3 Ų | 27.3 | 23% | 0.231 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 0.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V293 L296 L298 | A137-V293 VanDerWaalsContact O-CG1 3.26Å; A137-V293 WeakPolarHBondContact O-CG1 3.45Å; A137-L296 HydrophobicContact CB-CD1 4.21Å; A137-L298 HydrophobicContact CB-CD1 4.05Å |
| 138 | Q | 94 | Very high | 89.1 | Confident | 113 Ų | 113 | 25.3 Ų | 25.3 | 53% | 0.528 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 1.1 | 179.6 | -66.8 | 68.6 | 37.6 | 0 | 0 | 111.8 | N136 E140 | N136-Q138 VanDerWaalsContact CG-OE1 3.27Å; N136-Q138 PolarHBondContact ND2-OE1 2.91Å; N136-Q138 PolarHBondContact O-N 3.47Å; N136-Q138 VanDerWaalsContact O-N 3.16Å; N136-Q138 WeakPolarHBondContact OD1-CA 3.22Å; N136-Q138 WeakPolarHBondContact OD1-CB 3.37Å; N136-Q138 PolarHBondContact OD1-N 2.88Å; Q138-E140 HydrophobicContact CB-CG 4.48Å |
| 139 | G | 95 | Very high | 86.9 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 83.3 | 14.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q110 N136 M291 | Q110-G139 PolarHBondContact NE2-O 3.5Å; N136-G139 PolarHBondContact O-N 3.22Å; N136-G139 PolarHBondContact OD1-N 3.12Å; G139-M291 WeakPolarHBondContact O-CE 3.26Å |
| 140 | E | 97.3 | Very high | 84.8 | Confident | 73 Ų | 73 | 32.3 Ų | 32.3 | 34% | 0.341 | 17% | 0.167 | S | C | . | . | trans | -84.4 | 142 | 173 | -52.9 | 179.9 | 150.9 | 0 | 0 | 110.6 | Q110 I135 N136 Q138 | Q110-E140 VanDerWaalsContact OE1-CA 3.31Å; I135-E140 VanDerWaalsContact CA-O 3.25Å; I135-E140 WeakPolarHBondContact CA-O 3.4Å; N136-E140 PolarHBondContact N-O 3.47Å; N136-E140 VanDerWaalsContact N-O 3.16Å; N136-E140 PolarHBondContact ND2-OE2 3.15Å; N136-E140 WeakPolarHBondContact OD1-CB 3.31Å; N136-E140 PolarHBondContact OD1-N 2.92Å; Q138-E140 HydrophobicContact CB-CG 4.48Å | ||
| 141 | I | 98.4 | Very high | 82.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 139.3 | 168.5 | -169.3 | 162.8 | 0 | 0 | 0 | 110.3 | N62 L87 Y107 Q110 L111 L133 L134 I135 | N62-I141 PolarHBondContact ND2-O 3.29Å; L87-I141 HydrophobicContact CD1-CD1 4.33Å; L87-I141 HydrophobicContact CD2-CD1 4.29Å; Y107-I141 HydrophobicContact CD1-CB 3.7Å; Y107-I141 HydrophobicContact CD1-CD1 4.24Å; Y107-I141 HydrophobicContact CD1-CG2 3.67Å; Y107-I141 HydrophobicContact CD2-CD1 4.02Å; Y107-I141 HydrophobicContact CE1-CB 4.04Å; Y107-I141 HydrophobicContact CE1-CG2 4.46Å; Y107-I141 HydrophobicContact CG-CB 4.18Å; Y107-I141 HydrophobicContact CG-CD1 3.85Å; Y107-I141 HydrophobicContact CG-CG2 4.08Å; Q110-I141 HydrophobicContact CB-CG2 3.46Å; Q110-I141 VanDerWaalsContact CB-CG2 3.46Å; Q110-I141 HydrophobicContact CG-CG2 4.33Å; L111-I141 HydrophobicContact CD1-CD1 3.97Å; L111-I141 HydrophobicContact CD2-CD1 4.16Å; L111-I141 HydrophobicContact CD2-CG1 4Å; L111-I141 HydrophobicContact CD2-CG2 4.26Å; L111-I141 HydrophobicContact CG-CD1 4.2Å; L111-I141 HydrophobicContact CG-CG1 4.36Å; L111-I141 HydrophobicContact CG-CG2 3.98Å; L133-I141 HydrophobicContact CB-CD1 4.17Å; L133-I141 HydrophobicContact CB-CG1 4.39Å; L134-I141 CarbonylContact O-C 3.49Å; L134-I141 VanDerWaalsContact O-CA 3.32Å; L134-I141 WeakPolarHBondContact O-CA 3.39Å; I135-I141 HydrophobicContact CG2-CB 3.87Å; I135-I141 HydrophobicContact CG2-CD1 3.71Å; I135-I141 HydrophobicContact CG2-CG1 3.61Å |
| 142 | K | 97.8 | Very high | 80.1 | Confident | 19 Ų | 19 | 29.9 Ų | 29.9 | 8% | 0.083 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 140.3 | -175.5 | -54.4 | -163.8 | -178.2 | -159.9 | 0 | 112.2 | P61 N62 V64 E81 L83 L134 | P61-K142 WeakPolarHBondContact O-CD 3.37Å; P61-K142 WeakPolarHBondContact O-CE 3.47Å; P61-K142 WeakPolarHBondContact O-CG 3.48Å; P61-K142 PolarHBondContact O-NZ 2.79Å; N62-K142 WeakPolarHBondContact O-CA 3.3Å; V64-K142 HydrophobicContact CG2-CB 3.69Å; E81-K142 VanDerWaalsContact CD-NZ 3.28Å; E81-K142 IonicContact OE1-NZ 2.69Å; E81-K142 PolarHBondContact OE1-NZ 2.95Å; E81-K142 IonicContact OE2-NZ 3.06Å; E81-K142 PolarHBondContact OE2-NZ 3.04Å; L83-K142 HydrophobicContact CD1-CD 4.31Å; L83-K142 HydrophobicContact CD2-CB 4.27Å; L83-K142 HydrophobicContact CD2-CD 4.04Å; L83-K142 HydrophobicContact CD2-CG 3.95Å; L134-K142 PolarHBondContact N-O 2.79Å; L134-K142 PolarHBondContact O-N 2.82Å |
| 143 | L | 95.3 | Very high | 77.6 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 127.2 | 169.7 | -59 | 174 | 0 | 0 | 0 | 109.5 | N62 I63 V64 L111 G114 L115 L128 L133 F146 | N62-L143 PolarHBondContact O-N 3.02Å; I63-L143 HydrophobicContact CG1-CD1 4.38Å; V64-L143 WeakPolarHBondContact CG2-O 3.07Å; V64-L143 PolarHBondContact N-O 3.03Å; L111-L143 HydrophobicContact CD2-CD2 3.58Å; L111-L143 HydrophobicContact CD2-CG 4.3Å; G114-L143 VanDerWaalsContact C-CD1 3.5Å; L115-L143 HydrophobicContact CD2-CD1 3.79Å; L115-L143 HydrophobicContact CD2-CD2 4.45Å; L115-L143 HydrophobicContact CG-CD1 4.04Å; L128-L143 HydrophobicContact CD2-CD2 3.7Å; L133-L143 HydrophobicContact CD2-CD2 3.62Å; L143-F146 HydrophobicContact CB-CE2 3.5Å; L143-F146 HydrophobicContact CB-CZ 3.46Å; L143-F146 VanDerWaalsContact CB-CZ 3.46Å; L143-F146 HydrophobicContact CD1-CZ 3.77Å; L143-F146 HydrophobicContact CG-CZ 4.25Å; L143-F146 WeakPolarHBondContact O-CE2 3.15Å |
| 144 | A | 90.9 | Very high | 74.7 | Confident | 8 Ų | 8 | 35.4 Ų | 35.4 | 7% | 0.066 | 20% | 0.202 | C | C | . | . | trans | -123.6 | 166.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V64 H125 N132 L134 F146 | V64-A144 HydrophobicContact CB-CB 4.3Å; V64-A144 HydrophobicContact CG2-CB 3.67Å; H125-A144 PolarHBondContact NE2-O 3Å; N132-A144 WeakPolarHBondContact O-CB 3.48Å; N132-A144 PolarHBondContact O-N 3.29Å; L134-A144 HydrophobicContact CD1-CB 3.87Å; L134-A144 HydrophobicContact CG-CB 3.84Å; A144-F146 PolarHBondContact O-N 2.94Å | ||
| 145 | D | 79.4 | Confident | 71.8 | Confident | 59 Ų | 59 | 38.1 Ų | 38.1 | 32% | 0.316 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 60 | 39.3 | 173.2 | -78.4 | -5.7 | 0 | 0 | 0 | 115.2 | K33 G147 | K33-D145 IonicContact NZ-OD1 2.6Å; K33-D145 PolarHBondContact NZ-OD1 2.82Å; K33-D145 IonicContact NZ-OD2 3.64Å; K33-D145 PolarHBondContact NZ-OD2 3.47Å; D145-G147 PolarHBondContact O-N 3.04Å; D145-G147 VanDerWaalsContact O-N 3.13Å |
| 146 | F | 71.7 | Confident | 69.1 | Low | 15 Ų | 15 | 42.4 Ų | 42.4 | 7% | 0.066 | 25% | 0.248 | C | C | . | . | trans | -53.7 | 116.7 | 169.2 | -76.2 | -88.5 | 0 | 0 | 0 | 112 | L55 I63 C118 V123 H125 L143 A144 L148 | L55-F146 HydrophobicContact CD2-CB 4.2Å; I63-F146 HydrophobicContact CB-CE2 4.36Å; I63-F146 HydrophobicContact CD1-CZ 4.15Å; I63-F146 HydrophobicContact CG1-CE2 4.19Å; I63-F146 HydrophobicContact CG1-CZ 3.98Å; I63-F146 HydrophobicContact CG2-CD2 4.3Å; I63-F146 HydrophobicContact CG2-CE2 3.64Å; I63-F146 HydrophobicContact CG2-CZ 4.2Å; C118-F146 HydrophobicContact CB-CE1 4.32Å; C118-F146 WeakPolarHBondContact SG-CE1 3.16Å; C118-F146 WeakPolarHBondContact SG-CZ 3.48Å; V123-F146 HydrophobicContact CG1-CD1 4.13Å; H125-F146 HydrophobicContact CB-CE1 4.41Å; H125-F146 AromaticContact CD2-CD1 3.74Å; H125-F146 AromaticContact CD2-CE1 3.65Å; H125-F146 AromaticContact CD2-CZ 3.96Å; L143-F146 HydrophobicContact CB-CE2 3.5Å; L143-F146 HydrophobicContact CB-CZ 3.46Å; L143-F146 VanDerWaalsContact CB-CZ 3.46Å; L143-F146 HydrophobicContact CD1-CZ 3.77Å; L143-F146 HydrophobicContact CG-CZ 4.25Å; L143-F146 WeakPolarHBondContact O-CE2 3.15Å; A144-F146 PolarHBondContact O-N 2.94Å; F146-L148 PolarHBondContact O-N 2.92Å | ||
| 147 | G | 56.2 | Low | 66.3 | Low | 30 Ų | 30 | 49.2 Ų | 49.2 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | S | Bend | trans | 55.7 | 17.8 | 146.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | D145 A149 R150 | D145-G147 PolarHBondContact O-N 3.04Å; D145-G147 VanDerWaalsContact O-N 3.13Å; G147-A149 PolarHBondContact O-N 3.4Å; G147-R150 PolarHBondContact O-N 2.87Å |
| 148 | L | 51.5 | Low | 63.7 | Low | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.042 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -51.5 | -34.4 | -178.9 | -63.7 | 169.2 | 0 | 0 | 0 | 110.8 | K33 L78 F146 R150 A151 F152 | K33-L148 HydrophobicContact CD-CD1 4.24Å; L78-L148 HydrophobicContact CD1-CD2 3.75Å; F146-L148 PolarHBondContact O-N 2.92Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 3.08Å; L148-A151 PolarHBondContact O-N 3.22Å; L148-F152 HydrophobicContact CB-CD2 4.19Å; L148-F152 HydrophobicContact CB-CE2 4.13Å; L148-F152 HydrophobicContact CD2-CE2 3.87Å; L148-F152 WeakPolarHBondContact O-CD2 3.4Å; L148-F152 PolarHBondContact O-N 3.12Å |
| 149 | A | 45.2 | Very low | 61.1 | Low | 27 Ų | 27 | 54 Ų | 54 | 22% | 0.223 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.4 | -28.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y15 G147 | Y15-A149 HydrophobicContact CE1-CB 4.39Å; G147-A149 PolarHBondContact O-N 3.4Å |
| 150 | R | 49.3 | Very low | 58.1 | Low | 160 Ų | 160 | 57.1 Ų | 57.1 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -84.1 | -43.5 | 178.3 | -108.9 | -175.1 | 163.6 | -173.6 | -4.2 | 111.9 | R126 G147 L148 F152 G153 | R126-R150 VanDerWaalsContact NH2-NH1 3.1Å; G147-R150 PolarHBondContact O-N 2.87Å; L148-R150 VanDerWaalsContact C-N 3.32Å; L148-R150 PolarHBondContact O-N 3.08Å; R150-F152 PolarHBondContact O-N 2.94Å; R150-G153 PolarHBondContact O-N 3.25Å |
| 151 | A | 46 | Very low | 55.1 | Low | 5 Ų | 5 | 63.1 Ų | 63.1 | 4% | 0.041 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.5 | -41.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A48 E51 I52 L148 G153 | A48-A151 WeakPolarHBondContact CA-O 3.4Å; A48-A151 WeakPolarHBondContact CB-O 3.48Å; E51-A151 HydrophobicContact CB-CB 3.54Å; E51-A151 WeakPolarHBondContact OE2-CA 3.48Å; E51-A151 PolarHBondContact OE2-N 2.85Å; I52-A151 HydrophobicContact CG1-CB 4.24Å; L148-A151 PolarHBondContact O-N 3.22Å; A151-G153 PolarHBondContact O-N 3.36Å |
| 152 | F | 45.3 | Very low | 52 | Low | 16 Ų | 16 | 70.6 Ų | 70.6 | 7% | 0.07 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -1.7 | -172.9 | -74.4 | -70.3 | 0 | 0 | 0 | 115.2 | I35 V44 A48 I52 L76 L148 R150 V154 | I35-F152 HydrophobicContact CB-CZ 4.35Å; I35-F152 HydrophobicContact CD1-CE2 4.16Å; I35-F152 HydrophobicContact CD1-CZ 4.1Å; I35-F152 HydrophobicContact CG1-CE2 4.4Å; I35-F152 HydrophobicContact CG1-CZ 3.85Å; I35-F152 HydrophobicContact CG2-CD1 4.47Å; I35-F152 HydrophobicContact CG2-CE1 3.92Å; I35-F152 HydrophobicContact CG2-CE2 4.13Å; I35-F152 HydrophobicContact CG2-CZ 3.74Å; V44-F152 HydrophobicContact CG1-CD1 4.35Å; V44-F152 HydrophobicContact CG1-CE1 4.13Å; A48-F152 HydrophobicContact CB-CD1 3.83Å; A48-F152 HydrophobicContact CB-CE1 4.3Å; I52-F152 HydrophobicContact CD1-CD1 4.49Å; I52-F152 HydrophobicContact CD1-CE1 3.54Å; I52-F152 HydrophobicContact CD1-CE2 3.99Å; I52-F152 HydrophobicContact CD1-CZ 3.21Å; I52-F152 HydrophobicContact CG1-CZ 4.18Å; L76-F152 HydrophobicContact CD2-CE1 3.46Å; L76-F152 VanDerWaalsContact CD2-CE1 3.46Å; L76-F152 HydrophobicContact CD2-CZ 3.65Å; L148-F152 HydrophobicContact CB-CD2 4.19Å; L148-F152 HydrophobicContact CB-CE2 4.13Å; L148-F152 HydrophobicContact CD2-CE2 3.87Å; L148-F152 WeakPolarHBondContact O-CD2 3.4Å; L148-F152 PolarHBondContact O-N 3.12Å; R150-F152 PolarHBondContact O-N 2.94Å; F152-V154 HydrophobicContact CB-CB 4.26Å; F152-V154 HydrophobicContact CB-CG2 3.55Å; F152-V154 PolarHBondContact O-N 3.25Å |
| 153 | G | 40.1 | Very low | 49.7 | Very low | 62 Ų | 62 | 76.7 Ų | 76.7 | 64% | 0.639 | 42% | 0.415 | S | S | * | . | trans | 56.3 | 6.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R150 A151 P155 | R150-G153 PolarHBondContact O-N 3.25Å; A151-G153 PolarHBondContact O-N 3.36Å; G153-P155 WeakPolarHBondContact O-CD 3.37Å; G153-P155 VanDerWaalsContact O-N 3.1Å | ||
| 154 | V | 35.9 | Very low | 48.2 | Very low | 66 Ų | 66 | 79.6 Ų | 79.6 | 40% | 0.4 | 43% | 0.433 | S | S | . | . | trans | -58.1 | 118.5 | 170.4 | 172.4 | 0 | 0 | 0 | 0 | 102.6 | F152 V156 | F152-V154 HydrophobicContact CB-CB 4.26Å; F152-V154 HydrophobicContact CB-CG2 3.55Å; F152-V154 PolarHBondContact O-N 3.25Å; V154-V156 PolarHBondContact O-N 3.26Å | ||
| 155 | P | 35.4 | Very low | 47.6 | Very low | 95 Ų | 95 | 81.6 Ų | 81.6 | 62% | 0.617 | 44% | 0.444 | S | S | * | . | trans | -45 | 129.2 | 172.6 | -12.5 | 15.2 | 0 | 0 | 0 | 105.2 | G153 R157 | G153-P155 WeakPolarHBondContact O-CD 3.37Å; G153-P155 VanDerWaalsContact O-N 3.1Å; P155-R157 PolarHBondContact O-N 2.79Å | ||
| 156 | V | 40.3 | Very low | 48.1 | Very low | 90 Ų | 90 | 79.7 Ų | 79.7 | 55% | 0.545 | 43% | 0.434 | S | S | . | . | trans | -59.5 | 83.4 | 156.1 | -177.9 | 0 | 0 | 0 | 0 | 101.8 | V154 T158 | V154-V156 PolarHBondContact O-N 3.26Å; V156-T158 PolarHBondContact O-N 3.26Å | ||
| 157 | R | 35.5 | Very low | 49.3 | Very low | 158 Ų | 158 | 83.1 Ų | 83.1 | 60% | 0.596 | 45% | 0.447 | S | S | * | . | trans | -49.2 | 117.4 | -179.8 | -84.9 | -173.5 | 177.3 | -178.5 | 1.5 | 101.2 | P155 Y159 T160 | P155-R157 PolarHBondContact O-N 2.79Å; R157-Y159 VanDerWaalsContact C-N 3.35Å; R157-Y159 VanDerWaalsContact O-CA 3.24Å; R157-Y159 WeakPolarHBondContact O-CA 3.5Å; R157-Y159 PolarHBondContact O-N 2.79Å; R157-T160 HydrophobicContact CB-CG2 4.31Å | ||
| 158 | T | 36.3 | Very low | 51.2 | Low | 129 Ų | 129 | 82.1 Ų | 82.1 | 79% | 0.791 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -32.1 | 106 | 171.9 | 34.5 | 0 | 0 | 0 | 0 | 106.2 | V156 T160 | V156-T158 PolarHBondContact O-N 3.26Å; T158-T160 VanDerWaalsContact C-N 3.27Å; T158-T160 WeakPolarHBondContact O-CA 3.46Å; T158-T160 PolarHBondContact O-N 3.01Å |
| 159 | Y | 40.8 | Very low | 53.2 | Low | 112 Ų | 112 | 82.8 Ų | 82.8 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | trans | -30.8 | 93 | -158.4 | -77.5 | -81.3 | 0 | 0 | 0 | 109.7 | R157 H161 V164 | R157-Y159 VanDerWaalsContact C-N 3.35Å; R157-Y159 VanDerWaalsContact O-CA 3.24Å; R157-Y159 WeakPolarHBondContact O-CA 3.5Å; R157-Y159 PolarHBondContact O-N 2.79Å; Y159-H161 PolarHBondContact O-N 3.31Å; Y159-V164 HydrophobicContact CD1-CG1 4.49Å; Y159-V164 HydrophobicContact CD1-CG2 4.37Å; Y159-V164 HydrophobicContact CE1-CG1 4.41Å | ||
| 160 | T | 32.5 | Very low | 55.7 | Low | 67 Ų | 67 | 81.5 Ų | 81.5 | 41% | 0.411 | 43% | 0.425 | S | S | . | . | trans | -64.4 | 130.5 | -176.3 | 38.3 | 0 | 0 | 0 | 0 | 104.5 | R157 T158 E162 | R157-T160 HydrophobicContact CB-CG2 4.31Å; T158-T160 VanDerWaalsContact C-N 3.27Å; T158-T160 WeakPolarHBondContact O-CA 3.46Å; T158-T160 PolarHBondContact O-N 3.01Å; T160-E162 PolarHBondContact O-N 2.99Å | ||
| 161 | H | 34.3 | Very low | 58 | Low | 198 Ų | 198 | 73.9 Ų | 73.9 | 92% | 0.917 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -55 | 8.8 | -170.3 | -76.4 | -87.4 | 0 | 0 | 0 | 116 | Y159 V163 | Y159-H161 PolarHBondContact O-N 3.31Å; H161-V163 PolarHBondContact O-N 2.81Å |
| 162 | E | 33.5 | Very low | 60.3 | Low | 158 Ų | 158 | 73.8 Ų | 73.8 | 74% | 0.738 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -71 | 90.1 | 165.9 | -68.6 | -174.5 | 156.4 | 0 | 0 | 110.9 | T160 V164 | T160-E162 PolarHBondContact O-N 2.99Å; E162-V164 PolarHBondContact O-N 2.84Å |
| 163 | V | 49.2 | Very low | 62.5 | Low | 146 Ų | 146 | 75.2 Ų | 75.2 | 89% | 0.885 | 40% | 0.403 | S | S | * | . | trans | 34.8 | 56.6 | 152.8 | -157.8 | 0 | 0 | 0 | 0 | 115.9 | H161 | H161-V163 PolarHBondContact O-N 2.81Š| ||
| 164 | V | 63.7 | Low | 65.1 | Low | 63 Ų | 63 | 72.5 Ų | 72.5 | 38% | 0.382 | 37% | 0.374 | S | S | . | . | trans | -86.1 | 128.2 | 163 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | Y159 E162 L166 | Y159-V164 HydrophobicContact CD1-CG1 4.49Å; Y159-V164 HydrophobicContact CD1-CG2 4.37Å; Y159-V164 HydrophobicContact CE1-CG1 4.41Å; E162-V164 PolarHBondContact O-N 2.84Å; V164-L166 PolarHBondContact O-N 3.25Å; V164-L166 VanDerWaalsContact O-N 3.08Å | ||
| 165 | T | 76.6 | Confident | 68 | Low | 49 Ų | 49 | 69.4 Ų | 69.4 | 30% | 0.301 | 36% | 0.355 | S | S | . | . | trans | -60.5 | 113.4 | 179.3 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | W167 Y168 | T165-W167 HydrophobicContact CG2-CB 4Å; T165-W167 HydrophobicContact CG2-CD2 3.83Å; T165-W167 HydrophobicContact CG2-CE3 4.11Å; T165-W167 HydrophobicContact CG2-CG 3.77Å; T165-Y168 HydrophobicContact CG2-CD2 4.11Å; T165-Y168 HydrophobicContact CG2-CE2 3.74Å | ||
| 166 | L | 90.8 | Very high | 70.5 | Confident | 19 Ų | 19 | 65.9 Ų | 65.9 | 10% | 0.099 | 34% | 0.336 | C | S | . | . | trans | -82.7 | -14.2 | -179.9 | -61.9 | 178.1 | 0 | 0 | 0 | 113.5 | V164 Y168 R169 E208 Q211 | V164-L166 PolarHBondContact O-N 3.25Å; V164-L166 VanDerWaalsContact O-N 3.08Å; L166-Y168 PolarHBondContact O-N 2.91Å; L166-R169 VanDerWaalsContact O-CB 3.26Å; L166-R169 WeakPolarHBondContact O-CB 3.34Å; L166-R169 PolarHBondContact O-N 3.04Å; L166-E208 HydrophobicContact CD1-CG 4.21Å; L166-E208 HydrophobicContact CD2-CG 4.36Å; L166-Q211 HydrophobicContact CB-CB 4.35Å; L166-Q211 HydrophobicContact CB-CG 4.12Å; L166-Q211 PolarHBondContact O-NE2 3.08Å | ||
| 167 | W | 96.3 | Very high | 72.6 | Confident | 88 Ų | 88 | 63 Ų | 63 | 33% | 0.333 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -23 | -161.9 | -55.9 | -11.3 | 0 | 0 | 0 | 115.2 | T165 A201 F203 P204 G205 Q211 | T165-W167 HydrophobicContact CG2-CB 4Å; T165-W167 HydrophobicContact CG2-CD2 3.83Å; T165-W167 HydrophobicContact CG2-CE3 4.11Å; T165-W167 HydrophobicContact CG2-CG 3.77Å; W167-A201 HydrophobicContact CD2-CB 4.09Å; W167-A201 HydrophobicContact CE3-CB 3.45Å; W167-A201 VanDerWaalsContact CE3-CB 3.45Å; W167-A201 HydrophobicContact CZ3-CB 3.82Å; W167-F203 WeakPolarHBondContact CA-O 3.3Å; W167-F203 WeakPolarHBondContact CB-O 3.3Å; W167-P204 HydrophobicContact CD2-CB 4.35Å; W167-P204 HydrophobicContact CZ2-CB 4.23Å; W167-G205 PolarHBondContact NE1-O 3.11Å; W167-Q211 PolarHBondContact O-NE2 3.11Å |
| 168 | Y | 96.4 | Very high | 74.5 | Confident | 9 Ų | 9 | 63.8 Ų | 63.8 | 4% | 0.035 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 5.1 | -178.2 | -44 | -78.5 | 0 | 0 | 0 | 112.6 | L128 K129 P130 T165 L166 S188 C191 I192 E195 | L128-Y168 WeakPolarHBondContact O-CB 3.33Å; K129-Y168 HydrophobicContact CB-CD2 3.55Å; K129-Y168 HydrophobicContact CB-CE2 3.52Å; K129-Y168 HydrophobicContact CB-CG 4.37Å; P130-Y168 WeakPolarHBondContact CD-OH 3.34Å; P130-Y168 HydrophobicContact CG-CE1 4.22Å; P130-Y168 WeakPolarHBondContact CG-OH 3.26Å; T165-Y168 HydrophobicContact CG2-CD2 4.11Å; T165-Y168 HydrophobicContact CG2-CE2 3.74Å; L166-Y168 PolarHBondContact O-N 2.91Å; Y168-S188 WeakPolarHBondContact O-CA 3.35Å; Y168-S188 WeakPolarHBondContact O-CB 3.49Å; Y168-S188 PolarHBondContact O-OG 2.89Å; Y168-C191 HydrophobicContact CD1-CB 3.79Å; Y168-I192 HydrophobicContact CD1-CD1 4.44Å; Y168-I192 HydrophobicContact CD1-CG1 3.69Å; Y168-I192 HydrophobicContact CE1-CG1 3.76Å; Y168-E195 WeakPolarHBondContact CE1-OE2 3.32Å; Y168-E195 PolarHBondContact OH-OE2 3.34Å |
| 169 | R | 94.9 | Very high | 76.4 | Confident | 21 Ų | 21 | 67.3 Ų | 67.3 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | trans | -77 | 133.4 | -176.9 | -168.3 | 178.4 | -71.5 | 179.5 | 1.2 | 110.7 | L166 I173 L174 W187 E208 | L166-R169 VanDerWaalsContact O-CB 3.26Å; L166-R169 WeakPolarHBondContact O-CB 3.34Å; L166-R169 PolarHBondContact O-N 3.04Å; R169-I173 HydrophobicContact CG-CB 3.91Å; R169-I173 HydrophobicContact CG-CD1 4.29Å; R169-I173 HydrophobicContact CG-CG2 3.9Å; R169-L174 HydrophobicContact CB-CG 4.39Å; R169-L174 HydrophobicContact CG-CD2 4.28Å; R169-L174 HydrophobicContact CG-CG 4.04Å; R169-W187 PolarHBondContact O-NE1 3.37Å; R169-W187 VanDerWaalsContact O-NE1 3.11Å; R169-E208 IonicContact NH1-OE1 2.74Å; R169-E208 PolarHBondContact NH1-OE1 3.42Å | ||
| 170 | A | 96.3 | Very high | 78.1 | Confident | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | -70.8 | 148.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E172 I173 L174 V184 W187 | A170-E172 VanDerWaalsContact C-N 3.27Å; A170-E172 HydrophobicContact CB-CG 4.42Å; A170-E172 WeakPolarHBondContact CB-OE2 3.4Å; A170-E172 PolarHBondContact O-N 2.58Å; A170-I173 PolarHBondContact O-N 3.04Å; A170-I173 VanDerWaalsContact O-N 3.11Å; A170-L174 PolarHBondContact O-N 3.01Å; A170-V184 HydrophobicContact CB-CB 4.16Å; A170-V184 HydrophobicContact CB-CG1 4.13Å; A170-W187 VanDerWaalsContact CA-CD1 3.41Å; A170-W187 HydrophobicContact CB-CB 3.81Å; A170-W187 HydrophobicContact CB-CD2 4.36Å; A170-W187 HydrophobicContact CB-CG 3.74Å | ||
| 171 | P | 97.6 | Very high | 80.6 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.5 | -31.2 | -175.5 | 26.6 | -35.6 | 0 | 0 | 0 | 112.6 | I173 L174 L175 W187 W227 Y269 | P171-I173 VanDerWaalsContact C-N 3.3Å; P171-I173 PolarHBondContact O-N 2.72Å; P171-L174 PolarHBondContact O-N 3.41Å; P171-L175 WeakPolarHBondContact O-CB 3.39Å; P171-L175 VanDerWaalsContact O-CG 3.3Å; P171-L175 WeakPolarHBondContact O-CG 3.42Å; P171-L175 PolarHBondContact O-N 3.09Å; P171-W187 HydrophobicContact CG-CE3 4.17Å; P171-W187 HydrophobicContact CG-CH2 3.84Å; P171-W187 HydrophobicContact CG-CZ2 4.26Å; P171-W187 HydrophobicContact CG-CZ3 3.8Å; P171-W227 HydrophobicContact CB-CH2 4.34Å; P171-W227 HydrophobicContact CB-CZ3 4.03Å; P171-W227 HydrophobicContact CG-CH2 4.37Å; P171-W227 HydrophobicContact CG-CZ3 4.15Å; P171-Y269 HydrophobicContact CB-CD1 4.25Å; P171-Y269 HydrophobicContact CB-CE1 4.32Å; P171-Y269 HydrophobicContact CG-CD1 3.93Å; P171-Y269 HydrophobicContact CG-CE1 4.34Å |
| 172 | E | 95.1 | Very high | 83.3 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 1% | 0.014 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.4 | -32.3 | 176.1 | 63.1 | -88.1 | -154.9 | 0 | 0 | 113 | A170 C177 V184 W227 P271 R274 | A170-E172 VanDerWaalsContact C-N 3.27Å; A170-E172 HydrophobicContact CB-CG 4.42Å; A170-E172 WeakPolarHBondContact CB-OE2 3.4Å; A170-E172 PolarHBondContact O-N 2.58Å; E172-C177 HydrophobicContact CB-CB 4.14Å; E172-C177 WeakPolarHBondContact O-CB 3.46Å; E172-C177 PolarHBondContact O-N 3.19Å; E172-V184 HydrophobicContact CG-CG1 4.32Å; E172-V184 WeakPolarHBondContact OE1-CG1 3.47Å; E172-W227 HydrophobicContact CB-CH2 3.77Å; E172-W227 HydrophobicContact CB-CZ2 3.83Å; E172-P271 HydrophobicContact CB-CG 4.09Å; E172-P271 HydrophobicContact CG-CG 3.99Å; E172-R274 IonicContact OE1-CZ 3.23Å; E172-R274 IonicContact OE1-NH1 3.81Å; E172-R274 PolarHBondContact OE1-NH1 3.17Å; E172-R274 IonicContact OE1-NH2 3.66Å; E172-R274 IonicContact OE2-CZ 3.18Å; E172-R274 IonicContact OE2-NH1 2.81Å; E172-R274 PolarHBondContact OE2-NH1 3.16Å; E172-R274 IonicContact OE2-NH2 3.19Å; E172-R274 PolarHBondContact OE2-NH2 3.01Å |
| 173 | I | 91.9 | Very high | 86.2 | Confident | 47 Ų | 47 | 51.4 Ų | 51.4 | 24% | 0.241 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.4 | -44.1 | 174 | -59.3 | 176.4 | 0 | 0 | 0 | 109.3 | R169 A170 P171 L175 G176 V184 | R169-I173 HydrophobicContact CG-CB 3.91Å; R169-I173 HydrophobicContact CG-CD1 4.29Å; R169-I173 HydrophobicContact CG-CG2 3.9Å; A170-I173 PolarHBondContact O-N 3.04Å; A170-I173 VanDerWaalsContact O-N 3.11Å; P171-I173 VanDerWaalsContact C-N 3.3Å; P171-I173 PolarHBondContact O-N 2.72Å; I173-L175 PolarHBondContact O-N 2.79Å; I173-G176 PolarHBondContact O-N 2.8Å; I173-G176 VanDerWaalsContact O-N 3.13Å; I173-V184 HydrophobicContact CD1-CB 4.03Å; I173-V184 HydrophobicContact CD1-CG1 3.78Å; I173-V184 HydrophobicContact CG1-CG1 4.02Å |
| 174 | L | 94.3 | Very high | 88.3 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.7 | -26.2 | 179.4 | -69.7 | 165.2 | 0 | 0 | 0 | 113.3 | R169 A170 P171 G176 E208 Q211 L212 I215 | R169-L174 HydrophobicContact CB-CG 4.39Å; R169-L174 HydrophobicContact CG-CD2 4.28Å; R169-L174 HydrophobicContact CG-CG 4.04Å; A170-L174 PolarHBondContact O-N 3.01Å; P171-L174 PolarHBondContact O-N 3.41Å; L174-G176 VanDerWaalsContact C-N 3.31Å; L174-E208 HydrophobicContact CD2-CB 4.08Å; L174-E208 HydrophobicContact CD2-CG 4.23Å; L174-Q211 HydrophobicContact CD1-CB 4.25Å; L174-Q211 HydrophobicContact CD1-CG 3.57Å; L174-Q211 HydrophobicContact CD2-CB 4.34Å; L174-Q211 HydrophobicContact CD2-CG 4.19Å; L174-L212 HydrophobicContact CB-CD1 4.11Å; L174-L212 HydrophobicContact CB-CD2 3.59Å; L174-L212 HydrophobicContact CB-CG 3.72Å; L174-L212 HydrophobicContact CD1-CD2 3.99Å; L174-L212 HydrophobicContact CD1-CG 4.13Å; L174-L212 HydrophobicContact CG-CD2 4.42Å; L174-L212 HydrophobicContact CG-CG 4.44Å; L174-I215 HydrophobicContact CD1-CD1 3.75Å |
| 175 | L | 95.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 9.1 | 175.9 | -68.9 | 171 | 0 | 0 | 0 | 113.3 | P171 I173 L212 W227 V230 M233 P234 D235 F240 | P171-L175 WeakPolarHBondContact O-CB 3.39Å; P171-L175 VanDerWaalsContact O-CG 3.3Å; P171-L175 WeakPolarHBondContact O-CG 3.42Å; P171-L175 PolarHBondContact O-N 3.09Å; I173-L175 PolarHBondContact O-N 2.79Å; L175-L212 HydrophobicContact CD2-CD1 3.94Å; L175-L212 HydrophobicContact CD2-CD2 4.23Å; L175-L212 HydrophobicContact CG-CD1 4.48Å; L175-L212 HydrophobicContact CG-CD2 4.09Å; L175-W227 HydrophobicContact CD1-CH2 3.9Å; L175-W227 HydrophobicContact CD1-CZ3 3.67Å; L175-V230 HydrophobicContact CD1-CG2 3.98Å; L175-M233 HydrophobicContact CB-CB 3.99Å; L175-M233 HydrophobicContact CB-CG 4.32Å; L175-P234 WeakPolarHBondContact O-CD 3.38Å; L175-D235 PolarHBondContact O-N 2.74Å; L175-F240 HydrophobicContact CD2-CE2 4.05Å |
| 176 | G | 88.5 | Confident | 90.9 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 23% | 0.227 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 15.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115 | I173 L174 K178 P234 D235 | I173-G176 PolarHBondContact O-N 2.8Å; I173-G176 VanDerWaalsContact O-N 3.13Å; L174-G176 VanDerWaalsContact C-N 3.31Å; G176-K178 PolarHBondContact O-N 2.97Å; G176-P234 WeakPolarHBondContact O-CG 3.36Å; G176-D235 VanDerWaalsContact CA-OD2 3.25Å; G176-D235 WeakPolarHBondContact CA-OD2 3.38Å; G176-D235 PolarHBondContact N-OD2 3.06Å |
| 177 | C | 85.3 | Confident | 91.3 | Very high | 30 Ų | 30 | 38.5 Ų | 38.5 | 20% | 0.203 | 18% | 0.182 | C | C | . | . | trans | -61.3 | 122.3 | 178 | -169.8 | 0 | 0 | 0 | 0 | 110.6 | E172 Y179 M233 | E172-C177 HydrophobicContact CB-CB 4.14Å; E172-C177 WeakPolarHBondContact O-CB 3.46Å; E172-C177 PolarHBondContact O-N 3.19Å; C177-Y179 VanDerWaalsContact C-N 3.28Å; C177-Y179 PolarHBondContact O-N 3.19Å; C177-Y179 PolarHBondContact SG-O 3.41Å; C177-M233 HydrophobicContact CB-CE 4.47Å; C177-M233 HydrophobicContact CB-SD 3.8Å | ||
| 178 | K | 74.1 | Confident | 91.4 | Very high | 174 Ų | 174 | 34.7 Ų | 34.7 | 76% | 0.757 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -69.9 | -27.4 | 179.9 | -63.7 | -172.3 | -179.5 | -179.3 | 0 | 113 | G176 | G176-K178 PolarHBondContact O-N 2.97Š|
| 179 | Y | 76.1 | Confident | 91.5 | Very high | 202 Ų | 202 | 34.3 Ų | 34.3 | 79% | 0.792 | 17% | 0.167 | S | C | * | . | trans | -110.4 | 117.3 | -176.6 | -57.1 | -77.3 | 0 | 0 | 0 | 109.6 | C177 | C177-Y179 VanDerWaalsContact C-N 3.28Å; C177-Y179 PolarHBondContact O-N 3.19Å; C177-Y179 PolarHBondContact SG-O 3.41Å | ||
| 180 | Y | 77.5 | Confident | 91.7 | Very high | 93 Ų | 93 | 33.3 Ų | 33.3 | 37% | 0.365 | 16% | 0.164 | S | C | . | . | trans | -130.6 | 149.8 | 178.2 | 49.6 | -91 | 0 | 0 | 0 | 109.8 | R126 | R126-Y180 PolarHBondContact NH1-OH 3Å; R126-Y180 VanDerWaalsContact NH2-CE2 3.27Å | ||
| 181 | S | 84.8 | Confident | 91.8 | Very high | 50 Ų | 50 | 33.3 Ų | 33.3 | 35% | 0.35 | 16% | 0.164 | S | C | . | . | trans | -120.7 | -167.5 | -170.7 | 72 | 0 | 0 | 0 | 0 | 111.1 | A183 V184 | S181-A183 PolarHBondContact O-N 2.72Å; S181-A183 VanDerWaalsContact O-N 3.12Å; S181-A183 WeakPolarHBondContact OG-CB 3.46Å; S181-A183 PolarHBondContact OG-N 3.39Å; S181-V184 WeakPolarHBondContact O-CG2 3.47Å; S181-V184 PolarHBondContact O-N 3.47Å | ||
| 182 | T | 90.3 | Very high | 91.9 | Very high | 53 Ų | 53 | 33.3 Ų | 33.3 | 33% | 0.325 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -21.3 | 170.8 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | H119 L124 V184 D185 | H119-T182 HydrophobicContact CB-CG2 3.72Å; H119-T182 PolarHBondContact CE1-O 2.85Å; H119-T182 VanDerWaalsContact CG-CG2 3.42Å; H119-T182 WeakPolarHBondContact ND1-CB 3.36Å; L124-T182 VanDerWaalsContact CD2-CA 3.42Å; L124-T182 HydrophobicContact CD2-CG2 3.6Å; T182-V184 PolarHBondContact O-N 2.96Å; T182-D185 PolarHBondContact O-N 3.07Å |
| 183 | A | 95.2 | Very high | 92 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 4% | 0.041 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.3 | -27.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S181 D185 I186 W187 P271 R274 | S181-A183 PolarHBondContact O-N 2.72Å; S181-A183 VanDerWaalsContact O-N 3.12Å; S181-A183 WeakPolarHBondContact OG-CB 3.46Å; S181-A183 PolarHBondContact OG-N 3.39Å; A183-D185 VanDerWaalsContact C-N 3.33Å; A183-D185 PolarHBondContact O-N 3.02Å; A183-I186 PolarHBondContact O-N 3.26Å; A183-W187 PolarHBondContact O-N 2.92Å; A183-P271 HydrophobicContact CB-CB 3.81Å; A183-R274 VanDerWaalsContact C-NH1 3.27Å; A183-R274 HydrophobicContact CB-CB 4.46Å; A183-R274 VanDerWaalsContact O-CD 3.3Å; A183-R274 WeakPolarHBondContact O-CD 3.41Å; A183-R274 PolarHBondContact O-NH1 3.44Å |
| 184 | V | 94.2 | Very high | 92.4 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.024 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.4 | -37.2 | -179.8 | -55.4 | 0 | 0 | 0 | 0 | 111.8 | A170 E172 I173 S181 T182 I186 W187 S188 | A170-V184 HydrophobicContact CB-CB 4.16Å; A170-V184 HydrophobicContact CB-CG1 4.13Å; E172-V184 HydrophobicContact CG-CG1 4.32Å; E172-V184 WeakPolarHBondContact OE1-CG1 3.47Å; I173-V184 HydrophobicContact CD1-CB 4.03Å; I173-V184 HydrophobicContact CD1-CG1 3.78Å; I173-V184 HydrophobicContact CG1-CG1 4.02Å; S181-V184 WeakPolarHBondContact O-CG2 3.47Å; S181-V184 PolarHBondContact O-N 3.47Å; T182-V184 PolarHBondContact O-N 2.96Å; V184-I186 VanDerWaalsContact C-N 3.34Å; V184-W187 PolarHBondContact O-N 3.31Å; V184-S188 PolarHBondContact O-N 3.19Å; V184-S188 VanDerWaalsContact O-N 3.12Å; V184-S188 PolarHBondContact O-OG 2.94Å; V184-S188 VanDerWaalsContact O-OG 3.11Å |
| 185 | D | 95.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.1 | -36.6 | 177.6 | -66.8 | -27.3 | 0 | 0 | 0 | 110.7 | L115 H119 H125 R126 L128 T182 A183 S188 L189 | L115-D185 HydrophobicContact CD1-CB 4.25Å; L115-D185 HydrophobicContact CD2-CB 4.15Å; H119-D185 IonicContact CD2-OD2 3Å; H119-D185 IonicContact CE1-OD2 2.66Å; H119-D185 IonicContact NE2-OD2 2.82Å; H119-D185 PolarHBondContact NE2-OD2 2.76Å; H125-D185 WeakPolarHBondContact CB-OD1 3.48Å; H125-D185 PolarHBondContact N-OD1 3.23Å; H125-D185 PolarHBondContact N-OD2 2.95Å; R126-D185 PolarHBondContact N-OD1 3.5Å; L128-D185 HydrophobicContact CD1-CB 3.81Å; L128-D185 WeakPolarHBondContact CD1-O 3.44Å; T182-D185 PolarHBondContact O-N 3.07Å; A183-D185 VanDerWaalsContact C-N 3.33Å; A183-D185 PolarHBondContact O-N 3.02Å; D185-S188 PolarHBondContact O-N 3.29Å; D185-L189 WeakPolarHBondContact O-CB 3.26Å; D185-L189 PolarHBondContact O-N 2.89Å |
| 186 | I | 98.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.2 | -57.8 | -60.1 | 0 | 0 | 0 | 111.1 | A183 V184 L189 G190 M266 R274 I275 A277 | A183-I186 PolarHBondContact O-N 3.26Å; V184-I186 VanDerWaalsContact C-N 3.34Å; I186-L189 PolarHBondContact O-N 3.25Å; I186-G190 PolarHBondContact O-N 3.14Å; I186-M266 HydrophobicContact CG2-CB 3.93Å; I186-M266 HydrophobicContact CG2-CE 4.18Å; I186-M266 HydrophobicContact CG2-CG 3.92Å; I186-R274 HydrophobicContact CB-CG 4.44Å; I186-R274 HydrophobicContact CG2-CG 4.03Å; I186-I275 WeakPolarHBondContact CG1-O 3.41Å; I186-I275 HydrophobicContact CG2-CG2 4.26Å; I186-I275 WeakPolarHBondContact CG2-O 3.41Å; I186-A277 HydrophobicContact CD1-CB 3.74Å |
| 187 | W | 98.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.4 | -50.2 | 175.6 | 177.7 | -82.9 | 0 | 0 | 0 | 111.2 | R169 A170 P171 A183 V184 L189 G190 C191 F203 I215 L219 L267 | R169-W187 PolarHBondContact O-NE1 3.37Å; R169-W187 VanDerWaalsContact O-NE1 3.11Å; A170-W187 VanDerWaalsContact CA-CD1 3.41Å; A170-W187 HydrophobicContact CB-CB 3.81Å; A170-W187 HydrophobicContact CB-CD2 4.36Å; A170-W187 HydrophobicContact CB-CG 3.74Å; P171-W187 HydrophobicContact CG-CE3 4.17Å; P171-W187 HydrophobicContact CG-CH2 3.84Å; P171-W187 HydrophobicContact CG-CZ2 4.26Å; P171-W187 HydrophobicContact CG-CZ3 3.8Å; A183-W187 PolarHBondContact O-N 2.92Å; V184-W187 PolarHBondContact O-N 3.31Å; W187-L189 VanDerWaalsContact C-N 3.29Å; W187-L189 PolarHBondContact O-N 3.26Å; W187-G190 WeakPolarHBondContact O-CA 3.48Å; W187-G190 PolarHBondContact O-N 3.22Å; W187-G190 VanDerWaalsContact O-N 3.07Å; W187-C191 PolarHBondContact O-N 3.36Å; W187-F203 HydrophobicContact CZ2-CD2 4.35Å; W187-F203 AromaticContact CZ2-CE2 3.82Å; W187-F203 HydrophobicContact CZ2-CE2 3.82Å; W187-I215 HydrophobicContact CH2-CG2 3.65Å; W187-I215 HydrophobicContact CZ2-CD1 3.79Å; W187-I215 HydrophobicContact CZ2-CG1 3.98Å; W187-I215 HydrophobicContact CZ2-CG2 3.81Å; W187-L219 HydrophobicContact CH2-CD1 3.59Å; W187-L219 HydrophobicContact CZ2-CD1 4.48Å; W187-L219 HydrophobicContact CZ3-CD1 4.15Å; W187-L267 HydrophobicContact CD2-CD2 3.96Å; W187-L267 HydrophobicContact CE3-CD2 4Å; W187-L267 HydrophobicContact CH2-CD2 4.43Å; W187-L267 HydrophobicContact CZ2-CD2 4.37Å; W187-L267 HydrophobicContact CZ3-CB 4.23Å; W187-L267 HydrophobicContact CZ3-CD2 4.25Å; W187-L267 WeakPolarHBondContact CZ3-O 3.31Å |
| 188 | S | 98.2 | Very high | 93.6 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 6% | 0.056 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -57.5 | -43.6 | 178.1 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | Y168 V184 D185 G190 C191 I192 | Y168-S188 WeakPolarHBondContact O-CA 3.35Å; Y168-S188 WeakPolarHBondContact O-CB 3.49Å; Y168-S188 PolarHBondContact O-OG 2.89Å; V184-S188 PolarHBondContact O-N 3.19Å; V184-S188 VanDerWaalsContact O-N 3.12Å; V184-S188 PolarHBondContact O-OG 2.94Å; V184-S188 VanDerWaalsContact O-OG 3.11Å; D185-S188 PolarHBondContact O-N 3.29Å; S188-G190 VanDerWaalsContact C-N 3.33Å; S188-G190 PolarHBondContact O-N 3.41Å; S188-C191 WeakPolarHBondContact O-CB 3.29Å; S188-C191 PolarHBondContact O-N 3.5Å; S188-I192 VanDerWaalsContact O-CG1 3.29Å; S188-I192 WeakPolarHBondContact O-CG1 3.41Å; S188-I192 PolarHBondContact O-N 3.29Å |
| 189 | L | 98.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.8 | -33.4 | 177.2 | -172.2 | 59.8 | 0 | 0 | 0 | 112.4 | L108 L111 L112 L115 D185 I186 W187 I192 F193 M266 | L108-L189 HydrophobicContact CD1-CD1 4.11Å; L108-L189 HydrophobicContact CD1-CD2 3.95Å; L108-L189 HydrophobicContact CD1-CG 3.79Å; L111-L189 HydrophobicContact CB-CD1 3.82Å; L111-L189 HydrophobicContact CB-CD2 4.01Å; L111-L189 HydrophobicContact CD1-CD1 3.55Å; L111-L189 HydrophobicContact CG-CD1 4.28Å; L112-L189 HydrophobicContact CD2-CD2 3.7Å; L112-L189 HydrophobicContact CG-CD2 3.88Å; L115-L189 HydrophobicContact CD1-CB 4.26Å; L115-L189 HydrophobicContact CD1-CD2 3.69Å; D185-L189 WeakPolarHBondContact O-CB 3.26Å; D185-L189 PolarHBondContact O-N 2.89Å; I186-L189 PolarHBondContact O-N 3.25Å; W187-L189 VanDerWaalsContact C-N 3.29Å; W187-L189 PolarHBondContact O-N 3.26Å; L189-I192 PolarHBondContact O-N 3.27Å; L189-F193 WeakPolarHBondContact O-CB 3.49Å; L189-F193 PolarHBondContact O-N 2.99Å; L189-M266 HydrophobicContact CB-CE 3.77Å; L189-M266 HydrophobicContact CD2-CE 4Å; L189-M266 HydrophobicContact CG-CE 3.74Å |
| 190 | G | 98.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I186 W187 S188 I192 F193 A194 L263 | I186-G190 PolarHBondContact O-N 3.14Å; W187-G190 WeakPolarHBondContact O-CA 3.48Å; W187-G190 PolarHBondContact O-N 3.22Å; W187-G190 VanDerWaalsContact O-N 3.07Å; S188-G190 VanDerWaalsContact C-N 3.33Å; S188-G190 PolarHBondContact O-N 3.41Å; G190-I192 PolarHBondContact O-N 3.18Å; G190-F193 WeakPolarHBondContact O-CB 3.35Å; G190-F193 PolarHBondContact O-N 3.33Å; G190-A194 PolarHBondContact O-N 3.48Å; G190-A194 VanDerWaalsContact O-N 3.07Å; G190-L263 WeakPolarHBondContact O-CD1 3.43Å |
| 191 | C | 98.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 172.5 | -68.2 | 0 | 0 | 0 | 0 | 112 | Y168 W187 S188 F193 A194 E195 | Y168-C191 HydrophobicContact CD1-CB 3.79Å; W187-C191 PolarHBondContact O-N 3.36Å; S188-C191 WeakPolarHBondContact O-CB 3.29Å; S188-C191 PolarHBondContact O-N 3.5Å; C191-F193 VanDerWaalsContact C-N 3.35Å; C191-A194 PolarHBondContact O-N 3.47Å; C191-E195 WeakPolarHBondContact O-CB 3.37Å; C191-E195 PolarHBondContact O-N 2.86Å |
| 192 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.4 | -39.3 | 178.1 | -65.4 | 166 | 0 | 0 | 0 | 110.9 | L87 L128 P130 L133 Y168 S188 L189 G190 E195 M196 | L87-I192 HydrophobicContact CD2-CG2 3.85Å; L128-I192 HydrophobicContact CB-CD1 4.27Å; P130-I192 HydrophobicContact CG-CG1 4.27Å; L133-I192 HydrophobicContact CD1-CD1 3.97Å; L133-I192 HydrophobicContact CD1-CG2 4Å; Y168-I192 HydrophobicContact CD1-CD1 4.44Å; Y168-I192 HydrophobicContact CD1-CG1 3.69Å; Y168-I192 HydrophobicContact CE1-CG1 3.76Å; S188-I192 VanDerWaalsContact O-CG1 3.29Å; S188-I192 WeakPolarHBondContact O-CG1 3.41Å; S188-I192 PolarHBondContact O-N 3.29Å; L189-I192 PolarHBondContact O-N 3.27Å; G190-I192 PolarHBondContact O-N 3.18Å; I192-E195 PolarHBondContact O-N 3.31Å; I192-M196 HydrophobicContact CG2-CE 4.38Å; I192-M196 HydrophobicContact CG2-CG 4.43Å; I192-M196 WeakPolarHBondContact O-CG 3.42Å; I192-M196 PolarHBondContact O-N 3.42Å |
| 193 | F | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -58.6 | -50.6 | 175.5 | 176.3 | -153.6 | 0 | 0 | 0 | 111.2 | V104 L108 L189 G190 C191 E195 M196 V197 L255 L263 M266 F285 | V104-F193 HydrophobicContact CG1-CD2 3.9Å; V104-F193 HydrophobicContact CG1-CE2 3.89Å; L108-F193 HydrophobicContact CD1-CB 4.1Å; L108-F193 HydrophobicContact CD1-CG 4.29Å; L108-F193 HydrophobicContact CD2-CB 4.42Å; L108-F193 HydrophobicContact CD2-CD1 3.69Å; L108-F193 HydrophobicContact CD2-CD2 3.79Å; L108-F193 HydrophobicContact CD2-CE1 3.74Å; L108-F193 HydrophobicContact CD2-CE2 3.84Å; L108-F193 HydrophobicContact CD2-CG 3.71Å; L108-F193 HydrophobicContact CD2-CZ 3.79Å; L189-F193 WeakPolarHBondContact O-CB 3.49Å; L189-F193 PolarHBondContact O-N 2.99Å; G190-F193 WeakPolarHBondContact O-CB 3.35Å; G190-F193 PolarHBondContact O-N 3.33Å; C191-F193 VanDerWaalsContact C-N 3.35Å; F193-E195 VanDerWaalsContact C-N 3.29Å; F193-E195 PolarHBondContact O-N 2.81Å; F193-M196 PolarHBondContact O-N 3.28Å; F193-V197 HydrophobicContact CD2-CG2 4.12Å; F193-V197 HydrophobicContact CE2-CG2 3.94Å; F193-V197 WeakPolarHBondContact O-CG2 3.2Å; F193-V197 PolarHBondContact O-N 2.99Å; F193-L255 HydrophobicContact CE1-CD2 3.89Å; F193-L255 HydrophobicContact CE2-CD1 3.91Å; F193-L255 HydrophobicContact CE2-CD2 4.28Å; F193-L255 HydrophobicContact CZ-CD1 3.63Å; F193-L255 HydrophobicContact CZ-CD2 3.63Å; F193-L255 HydrophobicContact CZ-CG 4.25Å; F193-L263 HydrophobicContact CB-CD1 4.49Å; F193-L263 HydrophobicContact CD1-CB 4.06Å; F193-L263 HydrophobicContact CD1-CD1 3.84Å; F193-L263 HydrophobicContact CD1-CG 4.47Å; F193-L263 HydrophobicContact CE1-CB 3.99Å; F193-L263 HydrophobicContact CG-CD1 4.5Å; F193-M266 HydrophobicContact CD1-SD 4.43Å; F193-F285 HydrophobicContact CE2-CE1 4.1Å; F193-F285 HydrophobicContact CE2-CZ 4.07Å; F193-F285 HydrophobicContact CZ-CD1 4.43Å; F193-F285 AromaticContact CZ-CE1 3.71Å; F193-F285 HydrophobicContact CZ-CE1 3.71Å; F193-F285 AromaticContact CZ-CZ 3.76Å; F193-F285 HydrophobicContact CZ-CZ 3.76Å |
| 194 | A | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61 | -37.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G190 C191 V197 T198 L202 V252 L263 | G190-A194 PolarHBondContact O-N 3.48Å; G190-A194 VanDerWaalsContact O-N 3.07Å; C191-A194 PolarHBondContact O-N 3.47Å; A194-V197 PolarHBondContact O-N 3.27Å; A194-T198 WeakPolarHBondContact O-CB 3.39Å; A194-T198 WeakPolarHBondContact O-CG2 3.5Å; A194-T198 PolarHBondContact O-N 2.81Å; A194-T198 PolarHBondContact O-OG1 3.07Å; A194-L202 HydrophobicContact CB-CB 4.09Å; A194-L202 HydrophobicContact CB-CD1 4.08Å; A194-L202 HydrophobicContact CB-CD2 3.78Å; A194-L202 HydrophobicContact CB-CG 4.19Å; A194-V252 HydrophobicContact CB-CG1 3.95Å; A194-L263 HydrophobicContact CB-CD1 4.24Å; A194-L263 HydrophobicContact CB-CD2 4.12Å |
| 195 | E | 98.2 | Very high | 97.5 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 3% | 0.028 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.6 | -40.6 | 177.4 | -176.7 | 169.4 | 168.4 | 0 | 0 | 112.7 | M91 Y168 C191 I192 F193 V197 T198 R199 R200 | M91-E195 HydrophobicContact CE-CG 3.99Å; M91-E195 WeakPolarHBondContact CE-OE1 3.42Å; M91-E195 HydrophobicContact SD-CG 3.93Å; Y168-E195 WeakPolarHBondContact CE1-OE2 3.32Å; Y168-E195 PolarHBondContact OH-OE2 3.34Å; C191-E195 WeakPolarHBondContact O-CB 3.37Å; C191-E195 PolarHBondContact O-N 2.86Å; I192-E195 PolarHBondContact O-N 3.31Å; F193-E195 VanDerWaalsContact C-N 3.29Å; F193-E195 PolarHBondContact O-N 2.81Å; E195-V197 PolarHBondContact O-N 3.21Å; E195-T198 PolarHBondContact O-N 3.35Å; E195-R199 VanDerWaalsContact O-CA 3.23Å; E195-R199 WeakPolarHBondContact O-CA 3.39Å; E195-R199 PolarHBondContact O-N 3.02Å; E195-R200 WeakPolarHBondContact CA-O 3.29Å |
| 196 | M | 98.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.6 | -35.5 | 174.5 | -73.7 | -169 | -69.7 | 0 | 0 | 112 | L87 M91 V104 Y107 L108 I192 F193 | L87-M196 HydrophobicContact CD1-SD 4.26Å; L87-M196 HydrophobicContact CD2-CG 4.14Å; L87-M196 HydrophobicContact CD2-SD 3.96Å; M91-M196 HydrophobicContact SD-CG 3.99Å; V104-M196 HydrophobicContact CG1-CB 3.89Å; V104-M196 HydrophobicContact CG1-CE 4.05Å; V104-M196 HydrophobicContact CG1-SD 4.45Å; V104-M196 HydrophobicContact CG2-CB 4.1Å; Y107-M196 HydrophobicContact CD2-SD 4.28Å; L108-M196 HydrophobicContact CB-CE 4.47Å; I192-M196 HydrophobicContact CG2-CE 4.38Å; I192-M196 HydrophobicContact CG2-CG 4.43Å; I192-M196 WeakPolarHBondContact O-CG 3.42Å; I192-M196 PolarHBondContact O-N 3.42Å; F193-M196 PolarHBondContact O-N 3.28Å |
| 197 | V | 97.6 | Very high | 97 | Very high | 13 Ų | 13 | 31.5 Ų | 31.5 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -78.3 | -48 | 179.1 | 176.2 | 0 | 0 | 0 | 0 | 111.7 | V104 F193 A194 E195 L254 L255 | V104-V197 HydrophobicContact CG1-CG2 3.97Å; F193-V197 HydrophobicContact CD2-CG2 4.12Å; F193-V197 HydrophobicContact CE2-CG2 3.94Å; F193-V197 WeakPolarHBondContact O-CG2 3.2Å; F193-V197 PolarHBondContact O-N 2.99Å; A194-V197 PolarHBondContact O-N 3.27Å; E195-V197 PolarHBondContact O-N 3.21Å; V197-L254 HydrophobicContact CG1-CB 3.79Å; V197-L255 HydrophobicContact CG1-CB 4.24Å; V197-L255 HydrophobicContact CG2-CD1 4.13Å |
| 198 | T | 95.5 | Very high | 96.8 | Very high | 33 Ų | 33 | 35.8 Ų | 35.8 | 20% | 0.202 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -90 | -14.7 | -170.5 | 61.2 | 0 | 0 | 0 | 0 | 113.7 | A194 E195 R200 V252 | A194-T198 WeakPolarHBondContact O-CB 3.39Å; A194-T198 WeakPolarHBondContact O-CG2 3.5Å; A194-T198 PolarHBondContact O-N 2.81Å; A194-T198 PolarHBondContact O-OG1 3.07Å; E195-T198 PolarHBondContact O-N 3.35Å; T198-R200 PolarHBondContact O-N 3.06Å; T198-R200 PolarHBondContact OG1-N 2.86Å; T198-R200 PolarHBondContact OG1-O 3.2Å; T198-V252 HydrophobicContact CG2-CB 4.33Å; T198-V252 HydrophobicContact CG2-CG1 3.75Å |
| 199 | R | 93.6 | Very high | 96.7 | Very high | 121 Ų | 121 | 39 Ų | 39 | 46% | 0.457 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 65.5 | 13.5 | -173.8 | -49.3 | 167.4 | -76.9 | -176.2 | -12.4 | 113.6 | S95 V96 E195 | S95-R199 WeakPolarHBondContact O-CD 3.21Å; S95-R199 PolarHBondContact O-NH1 3.26Å; V96-R199 PolarHBondContact O-NH1 3.03Å; E195-R199 VanDerWaalsContact O-CA 3.23Å; E195-R199 WeakPolarHBondContact O-CA 3.39Å; E195-R199 PolarHBondContact O-N 3.02Å |
| 200 | R | 93.9 | Very high | 96.6 | Very high | 198 Ų | 198 | 40.2 Ų | 40.2 | 75% | 0.747 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -136 | 141.2 | -179.5 | -62.7 | -177.9 | -178.3 | 177.6 | 0.3 | 108.5 | E195 T198 L202 | E195-R200 WeakPolarHBondContact CA-O 3.29Å; T198-R200 PolarHBondContact O-N 3.06Å; T198-R200 PolarHBondContact OG1-N 2.86Å; T198-R200 PolarHBondContact OG1-O 3.2Å; R200-L202 PolarHBondContact O-N 3.05Å |
| 201 | A | 96.8 | Very high | 96.5 | Very high | 19 Ų | 19 | 40.2 Ų | 40.2 | 16% | 0.157 | 20% | 0.199 | C | C | . | . | trans | -55.9 | 133 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | W167 P204 | W167-A201 HydrophobicContact CD2-CB 4.09Å; W167-A201 HydrophobicContact CE3-CB 3.45Å; W167-A201 VanDerWaalsContact CE3-CB 3.45Å; W167-A201 HydrophobicContact CZ3-CB 3.82Å; A201-P204 HydrophobicContact CB-CB 4.18Å; A201-P204 WeakPolarHBondContact O-CD 3.42Å | ||
| 202 | L | 98.1 | Very high | 96.5 | Very high | 27 Ų | 27 | 40.5 Ų | 40.5 | 14% | 0.141 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -65.6 | -42.4 | -175.5 | -178.9 | 61.3 | 0 | 0 | 0 | 111.7 | A194 R200 V251 L267 | A194-L202 HydrophobicContact CB-CB 4.09Å; A194-L202 HydrophobicContact CB-CD1 4.08Å; A194-L202 HydrophobicContact CB-CD2 3.78Å; A194-L202 HydrophobicContact CB-CG 4.19Å; R200-L202 PolarHBondContact O-N 3.05Å; L202-V251 HydrophobicContact CD1-CG1 3.58Å; L202-L267 HydrophobicContact CD2-CD1 3.63Å |
| 203 | F | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -130.6 | 79.9 | -179 | -52.7 | -53.4 | 0 | 0 | 0 | 110.4 | W167 W187 G205 Q211 R214 I215 T218 L219 | W167-F203 WeakPolarHBondContact CA-O 3.3Å; W167-F203 WeakPolarHBondContact CB-O 3.3Å; W187-F203 HydrophobicContact CZ2-CD2 4.35Å; W187-F203 AromaticContact CZ2-CE2 3.82Å; W187-F203 HydrophobicContact CZ2-CE2 3.82Å; F203-G205 VanDerWaalsContact C-N 3.3Å; F203-G205 PolarHBondContact O-N 3.41Å; F203-Q211 PolarHBondContact O-NE2 3.28Å; F203-Q211 PolarHBondContact O-OE1 3.35Å; F203-R214 HydrophobicContact CB-CB 4.37Å; F203-R214 HydrophobicContact CD1-CB 4.38Å; F203-I215 HydrophobicContact CB-CG1 4.29Å; F203-I215 HydrophobicContact CD1-CG1 4.13Å; F203-I215 HydrophobicContact CD2-CG1 3.75Å; F203-I215 HydrophobicContact CE1-CG1 4.42Å; F203-I215 HydrophobicContact CE2-CG1 4.05Å; F203-I215 HydrophobicContact CG-CG1 3.79Å; F203-I215 HydrophobicContact CZ-CG1 4.38Å; F203-T218 HydrophobicContact CE1-CG2 4Å; F203-L219 HydrophobicContact CZ-CD1 4.15Å; F203-L219 HydrophobicContact CZ-CG 4.24Å |
| 204 | P | 96.8 | Very high | 96.5 | Very high | 49 Ų | 49 | 46.3 Ų | 46.3 | 32% | 0.318 | 22% | 0.223 | S | C | . | . | trans | -84.2 | 69 | -176.6 | 33.1 | -34 | 0 | 0 | 0 | 111.6 | W167 A201 R214 | W167-P204 HydrophobicContact CD2-CB 4.35Å; W167-P204 HydrophobicContact CZ2-CB 4.23Å; A201-P204 HydrophobicContact CB-CB 4.18Å; A201-P204 WeakPolarHBondContact O-CD 3.42Å; P204-R214 VanDerWaalsContact O-CZ 3.22Å; P204-R214 PolarHBondContact O-NE 2.63Å | ||
| 205 | G | 95.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 46.3 Ų | 46.3 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | trans | -76.3 | 145.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | W167 F203 D210 | W167-G205 PolarHBondContact NE1-O 3.11Å; F203-G205 VanDerWaalsContact C-N 3.3Å; F203-G205 PolarHBondContact O-N 3.41Å; G205-D210 VanDerWaalsContact CA-OD2 3.32Å; G205-D210 WeakPolarHBondContact CA-OD2 3.46Å | ||
| 206 | D | 92.2 | Very high | 96.5 | Very high | 134 Ų | 134 | 46 Ų | 46 | 72% | 0.717 | 22% | 0.222 | S | C | * | . | S | Bend | trans | -100.1 | -12 | 176.5 | 62.2 | 13.7 | 0 | 0 | 0 | 114 | D210 | D206-D210 PolarHBondContact N-OD2 3.13Å; D206-D210 VanDerWaalsContact OD1-CB 3.25Å; D206-D210 WeakPolarHBondContact OD1-CB 3.24Å |
| 207 | S | 93.3 | Very high | 96.5 | Very high | 44 Ų | 44 | 51.1 Ų | 51.1 | 31% | 0.308 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -147.6 | 163.9 | 178.2 | 58.5 | 0 | 0 | 0 | 0 | 109.6 | I209 D210 Q211 | S207-I209 VanDerWaalsContact C-N 3.26Å; S207-I209 PolarHBondContact O-N 2.67Å; S207-D210 PolarHBondContact O-N 3.12Å; S207-D210 VanDerWaalsContact OG-CB 3.25Å; S207-D210 WeakPolarHBondContact OG-CB 3.17Å; S207-D210 PolarHBondContact OG-N 3.04Å; S207-Q211 VanDerWaalsContact O-CB 3.27Å; S207-Q211 WeakPolarHBondContact O-CB 3.41Å; S207-Q211 PolarHBondContact O-N 2.84Å |
| 208 | E | 93.3 | Very high | 96.5 | Very high | 90 Ų | 90 | 51.4 Ų | 51.4 | 42% | 0.421 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.8 | -37.4 | -178.8 | -63.9 | -170.7 | 151.8 | 0 | 0 | 112.2 | L166 R169 L174 L212 | L166-E208 HydrophobicContact CD1-CG 4.21Å; L166-E208 HydrophobicContact CD2-CG 4.36Å; R169-E208 IonicContact NH1-OE1 2.74Å; R169-E208 PolarHBondContact NH1-OE1 3.42Å; L174-E208 HydrophobicContact CD2-CB 4.08Å; L174-E208 HydrophobicContact CD2-CG 4.23Å; E208-L212 PolarHBondContact O-N 2.71Å |
| 209 | I | 95.7 | Very high | 96.7 | Very high | 76 Ų | 76 | 50.1 Ų | 50.1 | 39% | 0.39 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -72.1 | -41.7 | 177.1 | -167.3 | 61 | 0 | 0 | 0 | 112.4 | S207 Q211 L212 F213 F240 | S207-I209 VanDerWaalsContact C-N 3.26Å; S207-I209 PolarHBondContact O-N 2.67Å; I209-Q211 VanDerWaalsContact C-N 3.31Å; I209-Q211 PolarHBondContact O-N 3.32Å; I209-L212 PolarHBondContact O-N 2.74Å; I209-F213 HydrophobicContact CD1-CD1 4.13Å; I209-F213 HydrophobicContact CD1-CE1 3.51Å; I209-F213 HydrophobicContact CD1-CE2 4.26Å; I209-F213 HydrophobicContact CD1-CZ 3.59Å; I209-F213 HydrophobicContact CG1-CD1 4.46Å; I209-F213 HydrophobicContact CG1-CD2 4.31Å; I209-F213 HydrophobicContact CG1-CE1 4.01Å; I209-F213 HydrophobicContact CG1-CE2 3.84Å; I209-F213 HydrophobicContact CG1-CZ 3.68Å; I209-F213 WeakPolarHBondContact O-CB 3.32Å; I209-F213 WeakPolarHBondContact O-CG 3.17Å; I209-F213 PolarHBondContact O-N 3.41Å; I209-F240 HydrophobicContact CD1-CD1 4.43Å; I209-F240 HydrophobicContact CD1-CE1 3.69Å; I209-F240 HydrophobicContact CD1-CZ 4.2Å |
| 210 | D | 97.1 | Very high | 96.9 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 14% | 0.139 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.7 | -39.2 | 175.3 | -175.3 | 52.7 | 0 | 0 | 0 | 110.9 | G205 D206 S207 L212 F213 R214 | G205-D210 VanDerWaalsContact CA-OD2 3.32Å; G205-D210 WeakPolarHBondContact CA-OD2 3.46Å; D206-D210 PolarHBondContact N-OD2 3.13Å; D206-D210 VanDerWaalsContact OD1-CB 3.25Å; D206-D210 WeakPolarHBondContact OD1-CB 3.24Å; S207-D210 PolarHBondContact O-N 3.12Å; S207-D210 VanDerWaalsContact OG-CB 3.25Å; S207-D210 WeakPolarHBondContact OG-CB 3.17Å; S207-D210 PolarHBondContact OG-N 3.04Å; D210-L212 PolarHBondContact O-N 2.86Å; D210-F213 PolarHBondContact O-N 2.6Å; D210-R214 VanDerWaalsContact O-CG 3.32Å; D210-R214 WeakPolarHBondContact O-CG 3.39Å; D210-R214 PolarHBondContact O-N 2.6Å; D210-R214 IonicContact OD1-NE 3.6Å; D210-R214 IonicContact OD1-NH2 3.51Å; D210-R214 IonicContact OD2-CZ 3.5Å; D210-R214 IonicContact OD2-NE 3.54Å; D210-R214 PolarHBondContact OD2-NE 3.08Å; D210-R214 IonicContact OD2-NH2 2.84Å; D210-R214 PolarHBondContact OD2-NH2 2.75Å |
| 211 | Q | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.6 | -49.9 | 173.6 | -174.1 | 66.1 | 35.4 | 0 | 0 | 111.2 | L166 W167 L174 F203 S207 I209 F213 R214 I215 | L166-Q211 HydrophobicContact CB-CB 4.35Å; L166-Q211 HydrophobicContact CB-CG 4.12Å; L166-Q211 PolarHBondContact O-NE2 3.08Å; W167-Q211 PolarHBondContact O-NE2 3.11Å; L174-Q211 HydrophobicContact CD1-CB 4.25Å; L174-Q211 HydrophobicContact CD1-CG 3.57Å; L174-Q211 HydrophobicContact CD2-CB 4.34Å; L174-Q211 HydrophobicContact CD2-CG 4.19Å; F203-Q211 PolarHBondContact O-NE2 3.28Å; F203-Q211 PolarHBondContact O-OE1 3.35Å; S207-Q211 VanDerWaalsContact O-CB 3.27Å; S207-Q211 WeakPolarHBondContact O-CB 3.41Å; S207-Q211 PolarHBondContact O-N 2.84Å; I209-Q211 VanDerWaalsContact C-N 3.31Å; I209-Q211 PolarHBondContact O-N 3.32Å; Q211-F213 PolarHBondContact O-N 3.42Å; Q211-R214 PolarHBondContact O-N 3.17Å; Q211-I215 HydrophobicContact CG-CD1 4.39Å; Q211-I215 VanDerWaalsContact O-CG1 3.31Å; Q211-I215 WeakPolarHBondContact O-CG1 3.06Å; Q211-I215 PolarHBondContact O-N 3.26Å; Q211-I215 VanDerWaalsContact O-N 3.16Å |
| 212 | L | 98.1 | Very high | 97.2 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 174.8 | -80.9 | 171.8 | 0 | 0 | 0 | 111.9 | L174 L175 E208 I209 D210 R214 I215 F216 | L174-L212 HydrophobicContact CB-CD1 4.11Å; L174-L212 HydrophobicContact CB-CD2 3.59Å; L174-L212 HydrophobicContact CB-CG 3.72Å; L174-L212 HydrophobicContact CD1-CD2 3.99Å; L174-L212 HydrophobicContact CD1-CG 4.13Å; L174-L212 HydrophobicContact CG-CD2 4.42Å; L174-L212 HydrophobicContact CG-CG 4.44Å; L175-L212 HydrophobicContact CD2-CD1 3.94Å; L175-L212 HydrophobicContact CD2-CD2 4.23Å; L175-L212 HydrophobicContact CG-CD1 4.48Å; L175-L212 HydrophobicContact CG-CD2 4.09Å; E208-L212 PolarHBondContact O-N 2.71Å; I209-L212 PolarHBondContact O-N 2.74Å; D210-L212 PolarHBondContact O-N 2.86Å; L212-R214 VanDerWaalsContact C-N 3.31Å; L212-R214 PolarHBondContact O-N 2.87Å; L212-I215 WeakPolarHBondContact O-CB 3.38Å; L212-I215 PolarHBondContact O-N 3.02Å; L212-I215 VanDerWaalsContact O-N 3.17Å; L212-F216 HydrophobicContact CB-CE2 4.33Å; L212-F216 HydrophobicContact CB-CZ 4.16Å; L212-F216 HydrophobicContact CD2-CE1 3.94Å; L212-F216 HydrophobicContact CD2-CZ 3.85Å; L212-F216 HydrophobicContact CG-CZ 4.48Å; L212-F216 VanDerWaalsContact O-CD1 3.25Å; L212-F216 WeakPolarHBondContact O-CD1 3.32Å; L212-F216 WeakPolarHBondContact O-CG 3.42Å; L212-F216 PolarHBondContact O-N 3.21Å |
| 213 | F | 98.5 | Very high | 97.2 | Very high | 44 Ų | 44 | 36.8 Ų | 36.8 | 19% | 0.193 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.2 | -33.8 | -178.3 | -71.7 | -4.7 | 0 | 0 | 0 | 112.8 | I209 D210 Q211 F216 R217 F240 P241 W243 | I209-F213 HydrophobicContact CD1-CD1 4.13Å; I209-F213 HydrophobicContact CD1-CE1 3.51Å; I209-F213 HydrophobicContact CD1-CE2 4.26Å; I209-F213 HydrophobicContact CD1-CZ 3.59Å; I209-F213 HydrophobicContact CG1-CD1 4.46Å; I209-F213 HydrophobicContact CG1-CD2 4.31Å; I209-F213 HydrophobicContact CG1-CE1 4.01Å; I209-F213 HydrophobicContact CG1-CE2 3.84Å; I209-F213 HydrophobicContact CG1-CZ 3.68Å; I209-F213 WeakPolarHBondContact O-CB 3.32Å; I209-F213 WeakPolarHBondContact O-CG 3.17Å; I209-F213 PolarHBondContact O-N 3.41Å; D210-F213 PolarHBondContact O-N 2.6Å; Q211-F213 PolarHBondContact O-N 3.42Å; F213-F216 HydrophobicContact CD1-CD2 4.15Å; F213-F216 HydrophobicContact CD1-CE2 4.45Å; F213-F216 PolarHBondContact O-N 3.35Å; F213-R217 WeakPolarHBondContact O-CB 3.34Å; F213-R217 WeakPolarHBondContact O-CG 3.09Å; F213-R217 PolarHBondContact O-N 3.12Å; F213-F240 AromaticContact CE1-CD1 3.8Å; F213-F240 HydrophobicContact CE1-CD1 3.8Å; F213-F240 HydrophobicContact CE1-CE1 4.25Å; F213-F240 HydrophobicContact CE1-CG 4.32Å; F213-F240 HydrophobicContact CZ-CD1 4.22Å; F213-P241 HydrophobicContact CZ-CG 4.48Å; F213-W243 HydrophobicContact CB-CH2 3.87Å; F213-W243 HydrophobicContact CB-CZ3 4.17Å; F213-W243 AromaticContact CD1-CH2 3.83Å; F213-W243 HydrophobicContact CD1-CH2 3.83Å; F213-W243 AromaticContact CD1-CZ3 3.73Å; F213-W243 HydrophobicContact CD1-CZ3 3.73Å; F213-W243 AromaticContact CD2-CH2 3.99Å; F213-W243 HydrophobicContact CD2-CH2 3.99Å; F213-W243 HydrophobicContact CE1-CH2 4.33Å; F213-W243 HydrophobicContact CE1-CZ3 4.27Å; F213-W243 HydrophobicContact CE2-CH2 4.47Å; F213-W243 AromaticContact CG-CH2 3.63Å; F213-W243 HydrophobicContact CG-CH2 3.63Å; F213-W243 AromaticContact CG-CZ3 3.97Å; F213-W243 HydrophobicContact CG-CZ3 3.97Å |
| 214 | R | 98.5 | Very high | 97.1 | Very high | 78 Ų | 78 | 40.5 Ų | 40.5 | 29% | 0.294 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.3 | -40.8 | 172.8 | -72.3 | 173.9 | -171.5 | -86.8 | 0.3 | 112.5 | F203 P204 D210 Q211 L212 T218 | F203-R214 HydrophobicContact CB-CB 4.37Å; F203-R214 HydrophobicContact CD1-CB 4.38Å; P204-R214 VanDerWaalsContact O-CZ 3.22Å; P204-R214 PolarHBondContact O-NE 2.63Å; D210-R214 VanDerWaalsContact O-CG 3.32Å; D210-R214 WeakPolarHBondContact O-CG 3.39Å; D210-R214 PolarHBondContact O-N 2.6Å; D210-R214 IonicContact OD1-NE 3.6Å; D210-R214 IonicContact OD1-NH2 3.51Å; D210-R214 IonicContact OD2-CZ 3.5Å; D210-R214 IonicContact OD2-NE 3.54Å; D210-R214 PolarHBondContact OD2-NE 3.08Å; D210-R214 IonicContact OD2-NH2 2.84Å; D210-R214 PolarHBondContact OD2-NH2 2.75Å; Q211-R214 PolarHBondContact O-N 3.17Å; L212-R214 VanDerWaalsContact C-N 3.31Å; L212-R214 PolarHBondContact O-N 2.87Å; R214-T218 PolarHBondContact O-N 3.03Å; R214-T218 PolarHBondContact O-OG1 2.87Å |
| 215 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60 | -50.9 | 173.4 | -64.5 | 166.3 | 0 | 0 | 0 | 109 | L174 W187 F203 Q211 L212 R217 T218 L219 Y269 | L174-I215 HydrophobicContact CD1-CD1 3.75Å; W187-I215 HydrophobicContact CH2-CG2 3.65Å; W187-I215 HydrophobicContact CZ2-CD1 3.79Å; W187-I215 HydrophobicContact CZ2-CG1 3.98Å; W187-I215 HydrophobicContact CZ2-CG2 3.81Å; F203-I215 HydrophobicContact CB-CG1 4.29Å; F203-I215 HydrophobicContact CD1-CG1 4.13Å; F203-I215 HydrophobicContact CD2-CG1 3.75Å; F203-I215 HydrophobicContact CE1-CG1 4.42Å; F203-I215 HydrophobicContact CE2-CG1 4.05Å; F203-I215 HydrophobicContact CG-CG1 3.79Å; F203-I215 HydrophobicContact CZ-CG1 4.38Å; Q211-I215 HydrophobicContact CG-CD1 4.39Å; Q211-I215 VanDerWaalsContact O-CG1 3.31Å; Q211-I215 WeakPolarHBondContact O-CG1 3.06Å; Q211-I215 PolarHBondContact O-N 3.26Å; Q211-I215 VanDerWaalsContact O-N 3.16Å; L212-I215 WeakPolarHBondContact O-CB 3.38Å; L212-I215 PolarHBondContact O-N 3.02Å; L212-I215 VanDerWaalsContact O-N 3.17Å; I215-R217 PolarHBondContact O-N 3.43Å; I215-T218 PolarHBondContact O-N 3.41Å; I215-T218 VanDerWaalsContact O-N 3.1Å; I215-L219 HydrophobicContact CG2-CD1 4.05Å; I215-L219 PolarHBondContact O-N 3.3Å; I215-Y269 HydrophobicContact CG2-CE1 3.77Å |
| 216 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.3 | -40.4 | -177.4 | -60.5 | -8 | 0 | 0 | 0 | 112.8 | L212 F213 T218 G220 T221 P222 F240 W243 Y269 | L212-F216 HydrophobicContact CB-CE2 4.33Å; L212-F216 HydrophobicContact CB-CZ 4.16Å; L212-F216 HydrophobicContact CD2-CE1 3.94Å; L212-F216 HydrophobicContact CD2-CZ 3.85Å; L212-F216 HydrophobicContact CG-CZ 4.48Å; L212-F216 VanDerWaalsContact O-CD1 3.25Å; L212-F216 WeakPolarHBondContact O-CD1 3.32Å; L212-F216 WeakPolarHBondContact O-CG 3.42Å; L212-F216 PolarHBondContact O-N 3.21Å; F213-F216 HydrophobicContact CD1-CD2 4.15Å; F213-F216 HydrophobicContact CD1-CE2 4.45Å; F213-F216 PolarHBondContact O-N 3.35Å; F216-T218 PolarHBondContact O-N 3.07Å; F216-G220 CarbonylContact O-C 3.19Å; F216-G220 WeakPolarHBondContact O-CA 3.43Å; F216-G220 PolarHBondContact O-N 3.35Å; F216-T221 HydrophobicContact CD2-CG2 4.03Å; F216-T221 HydrophobicContact CE2-CG2 4.33Å; F216-T221 HydrophobicContact CG-CG2 4.44Å; F216-P222 VanDerWaalsContact CD1-CD 3.5Å; F216-P222 HydrophobicContact CD1-CG 4.36Å; F216-P222 VanDerWaalsContact CE1-CD 3.4Å; F216-P222 HydrophobicContact CE1-CG 3.81Å; F216-P222 HydrophobicContact CZ-CG 4.19Å; F216-F240 HydrophobicContact CE2-CB 4.46Å; F216-F240 AromaticContact CE2-CD2 3.86Å; F216-F240 HydrophobicContact CE2-CD2 3.86Å; F216-F240 HydrophobicContact CE2-CE2 4.33Å; F216-F240 HydrophobicContact CE2-CG 4.29Å; F216-F240 HydrophobicContact CZ-CD2 4.44Å; F216-W243 HydrophobicContact CB-CD2 4.45Å; F216-W243 HydrophobicContact CB-CE3 3.51Å; F216-W243 HydrophobicContact CB-CZ3 3.96Å; F216-W243 HydrophobicContact CD2-CE3 4.27Å; F216-W243 HydrophobicContact CD2-CZ3 4.06Å; F216-W243 HydrophobicContact CG-CE3 4.44Å; F216-W243 WeakPolarHBondContact O-CB 3.32Å; F216-Y269 HydrophobicContact CD1-CE1 4.31Å; F216-Y269 WeakPolarHBondContact CD1-OH 3.25Å; F216-Y269 HydrophobicContact CE1-CE1 4.3Å |
| 217 | R | 98.4 | Very high | 97.5 | Very high | 110 Ų | 110 | 40.2 Ų | 40.2 | 42% | 0.415 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59 | -29.1 | 175.4 | -79.8 | 173.3 | -173.2 | 168.3 | 3.9 | 113.1 | F213 I215 W243 Q246 | F213-R217 WeakPolarHBondContact O-CB 3.34Å; F213-R217 WeakPolarHBondContact O-CG 3.09Å; F213-R217 PolarHBondContact O-N 3.12Å; I215-R217 PolarHBondContact O-N 3.43Å; R217-W243 HydrophobicContact CB-CG 4.49Å; R217-W243 HydrophobicContact CG-CD2 3.74Å; R217-W243 HydrophobicContact CG-CE3 4.44Å; R217-W243 HydrophobicContact CG-CG 3.88Å; R217-W243 HydrophobicContact CG-CZ2 4.01Å; R217-Q246 WeakPolarHBondContact O-CG 3.22Å; R217-Q246 PolarHBondContact O-NE2 2.57Å |
| 218 | T | 98.2 | Very high | 97.7 | Very high | 18 Ų | 18 | 41.5 Ų | 41.5 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -94.1 | -49.1 | -177.1 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | F203 R214 I215 F216 Q246 V251 | F203-T218 HydrophobicContact CE1-CG2 4Å; R214-T218 PolarHBondContact O-N 3.03Å; R214-T218 PolarHBondContact O-OG1 2.87Å; I215-T218 PolarHBondContact O-N 3.41Å; I215-T218 VanDerWaalsContact O-N 3.1Å; F216-T218 PolarHBondContact O-N 3.07Å; T218-Q246 WeakPolarHBondContact O-CB 3.26Å; T218-Q246 PolarHBondContact O-N 3.45Å; T218-V251 HydrophobicContact CG2-CG1 3.97Å; T218-V251 HydrophobicContact CG2-CG2 3.76Å |
| 219 | L | 98.4 | Very high | 97.8 | Very high | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -97.9 | -2.2 | -171.5 | -57.6 | -176.7 | 0 | 0 | 0 | 113.8 | W187 F203 I215 R245 L248 L267 Y269 | W187-L219 HydrophobicContact CH2-CD1 3.59Å; W187-L219 HydrophobicContact CZ2-CD1 4.48Å; W187-L219 HydrophobicContact CZ3-CD1 4.15Å; F203-L219 HydrophobicContact CZ-CD1 4.15Å; F203-L219 HydrophobicContact CZ-CG 4.24Å; I215-L219 HydrophobicContact CG2-CD1 4.05Å; I215-L219 PolarHBondContact O-N 3.3Å; L219-R245 WeakPolarHBondContact O-CB 3.29Å; L219-R245 WeakPolarHBondContact O-CG 3.33Å; L219-R245 PolarHBondContact O-NH1 2.75Å; L219-L248 HydrophobicContact CD2-CD2 4.31Å; L219-L267 HydrophobicContact CD1-CB 4.09Å; L219-Y269 HydrophobicContact CB-CE2 3.77Å |
| 220 | G | 98.4 | Very high | 97.9 | Very high | 6 Ų | 6 | 35 Ų | 35 | 6% | 0.062 | 19% | 0.188 | C | C | . | . | trans | 85.6 | 150 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F216 W243 Y269 | F216-G220 CarbonylContact O-C 3.19Å; F216-G220 WeakPolarHBondContact O-CA 3.43Å; F216-G220 PolarHBondContact O-N 3.35Å; G220-W243 CarbonylContact C-O 3.58Å; G220-W243 VanDerWaalsContact CA-O 3.26Å; G220-W243 WeakPolarHBondContact CA-O 3.43Å; G220-Y269 VanDerWaalsContact O-CE2 3.25Å; G220-Y269 WeakPolarHBondContact O-CE2 3.38Å; G220-Y269 VanDerWaalsContact O-CZ 3.26Å; G220-Y269 PolarHBondContact O-OH 3.33Å | ||
| 221 | T | 98.6 | Very high | 97.9 | Very high | 15 Ų | 15 | 37 Ų | 37 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | trans | -67.8 | 125.6 | 174.4 | -55 | 0 | 0 | 0 | 0 | 109.1 | F216 P241 K242 W243 | F216-T221 HydrophobicContact CD2-CG2 4.03Å; F216-T221 HydrophobicContact CE2-CG2 4.33Å; F216-T221 HydrophobicContact CG-CG2 4.44Å; T221-P241 WeakPolarHBondContact CG2-O 3.4Å; T221-P241 PolarHBondContact OG1-O 3.11Å; T221-K242 HydrophobicContact CG2-CD 4.06Å; T221-K242 WeakPolarHBondContact OG1-CA 3.21Å; T221-W243 PolarHBondContact N-O 3.08Å; T221-W243 PolarHBondContact OG1-N 3.48Å | ||
| 222 | P | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.236 | C | C | . | . | trans | -68 | 148.5 | -177.5 | 29.1 | -35 | 0 | 0 | 0 | 111.5 | F216 V226 W227 V230 Y269 | F216-P222 VanDerWaalsContact CD1-CD 3.5Å; F216-P222 HydrophobicContact CD1-CG 4.36Å; F216-P222 VanDerWaalsContact CE1-CD 3.4Å; F216-P222 HydrophobicContact CE1-CG 3.81Å; F216-P222 HydrophobicContact CZ-CG 4.19Å; P222-V226 HydrophobicContact CB-CG2 4.05Å; P222-W227 HydrophobicContact CB-CB 4.46Å; P222-W227 HydrophobicContact CB-CE3 4.12Å; P222-W227 HydrophobicContact CG-CE3 4.38Å; P222-V230 HydrophobicContact CB-CG1 4.49Å; P222-V230 HydrophobicContact CB-CG2 4.15Å; P222-V230 HydrophobicContact CG-CG2 4Å; P222-Y269 HydrophobicContact CB-CD1 4.11Å; P222-Y269 HydrophobicContact CB-CD2 4.01Å; P222-Y269 HydrophobicContact CB-CE1 4.27Å; P222-Y269 HydrophobicContact CB-CE2 4.13Å; P222-Y269 HydrophobicContact CB-CG 4Å; P222-Y269 HydrophobicContact CG-CD1 4.24Å; P222-Y269 HydrophobicContact CG-CE1 4.05Å | ||
| 223 | D | 97.8 | Very high | 97.6 | Very high | 65 Ų | 65 | 43.2 Ų | 43.2 | 35% | 0.348 | 24% | 0.242 | S | C | . | . | trans | -139.6 | -178.4 | 174.6 | 64 | 24.8 | 0 | 0 | 0 | 110 | T225 V226 W227 | D223-T225 PolarHBondContact O-N 2.76Å; D223-T225 VanDerWaalsContact O-N 3.12Å; D223-T225 WeakPolarHBondContact OD1-CA 3.17Å; D223-T225 VanDerWaalsContact OD1-CB 3.31Å; D223-T225 WeakPolarHBondContact OD1-CB 3.23Å; D223-T225 PolarHBondContact OD1-N 2.87Å; D223-T225 PolarHBondContact OD1-OG1 2.93Å; D223-V226 PolarHBondContact O-N 2.84Å; D223-V226 PolarHBondContact OD1-N 3.4Å; D223-W227 CarbonylContact O-C 3.42Å; D223-W227 PolarHBondContact O-N 2.96Å | ||
| 224 | E | 97.6 | Very high | 97.5 | Very high | 78 Ų | 78 | 44.6 Ų | 44.6 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.7 | -178.8 | -66.9 | -60.9 | 139.4 | 0 | 0 | 113.9 | P228 G229 V230 T231 | E224-P228 WeakPolarHBondContact OE2-CA 3.35Å; E224-G229 PolarHBondContact OE1-N 3.2Å; E224-G229 PolarHBondContact OE2-N 3.34Å; E224-V230 PolarHBondContact OE1-N 2.79Å; E224-T231 HydrophobicContact CG-CG2 3.93Å; E224-T231 VanDerWaalsContact OE1-CB 3.25Å; E224-T231 WeakPolarHBondContact OE1-CB 3.25Å; E224-T231 WeakPolarHBondContact OE1-CG2 3.43Å; E224-T231 PolarHBondContact OE1-N 3.22Å; E224-T231 PolarHBondContact OE1-OG1 2.99Å |
| 225 | T | 97.1 | Very high | 97.4 | Very high | 108 Ų | 108 | 44.7 Ų | 44.7 | 66% | 0.663 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -47 | 177.6 | 74.9 | 0 | 0 | 0 | 0 | 111.2 | D223 | D223-T225 PolarHBondContact O-N 2.76Å; D223-T225 VanDerWaalsContact O-N 3.12Å; D223-T225 WeakPolarHBondContact OD1-CA 3.17Å; D223-T225 VanDerWaalsContact OD1-CB 3.31Å; D223-T225 WeakPolarHBondContact OD1-CB 3.23Å; D223-T225 PolarHBondContact OD1-N 2.87Å; D223-T225 PolarHBondContact OD1-OG1 2.93Å |
| 226 | V | 97.1 | Very high | 97.3 | Very high | 68 Ų | 68 | 45.7 Ų | 45.7 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -29 | -178.6 | -62.4 | 0 | 0 | 0 | 0 | 112.3 | P222 D223 Y269 | P222-V226 HydrophobicContact CB-CG2 4.05Å; D223-V226 PolarHBondContact O-N 2.84Å; D223-V226 PolarHBondContact OD1-N 3.4Å; V226-Y269 HydrophobicContact CG2-CD2 4.34Å |
| 227 | W | 97.7 | Very high | 97.2 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 2% | 0.023 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -143.7 | 86.1 | 179.2 | -172.4 | -1.5 | 0 | 0 | 0 | 111 | P171 E172 L175 P222 D223 G229 V230 M233 Y269 D270 P271 | P171-W227 HydrophobicContact CB-CH2 4.34Å; P171-W227 HydrophobicContact CB-CZ3 4.03Å; P171-W227 HydrophobicContact CG-CH2 4.37Å; P171-W227 HydrophobicContact CG-CZ3 4.15Å; E172-W227 HydrophobicContact CB-CH2 3.77Å; E172-W227 HydrophobicContact CB-CZ2 3.83Å; L175-W227 HydrophobicContact CD1-CH2 3.9Å; L175-W227 HydrophobicContact CD1-CZ3 3.67Å; P222-W227 HydrophobicContact CB-CB 4.46Å; P222-W227 HydrophobicContact CB-CE3 4.12Å; P222-W227 HydrophobicContact CG-CE3 4.38Å; D223-W227 CarbonylContact O-C 3.42Å; D223-W227 PolarHBondContact O-N 2.96Å; W227-G229 PolarHBondContact O-N 2.91Å; W227-V230 HydrophobicContact CB-CB 4.02Å; W227-V230 HydrophobicContact CB-CG1 4.38Å; W227-V230 HydrophobicContact CD2-CB 3.87Å; W227-V230 HydrophobicContact CD2-CG2 3.9Å; W227-V230 HydrophobicContact CE3-CB 4.04Å; W227-V230 HydrophobicContact CE3-CG2 3.55Å; W227-V230 HydrophobicContact CG-CB 3.86Å; W227-V230 HydrophobicContact CG-CG2 4.38Å; W227-V230 HydrophobicContact CZ3-CG2 4Å; W227-V230 WeakPolarHBondContact O-CB 3.42Å; W227-V230 VanDerWaalsContact O-CG1 3.29Å; W227-V230 WeakPolarHBondContact O-CG1 3.39Å; W227-V230 PolarHBondContact O-N 2.72Å; W227-M233 HydrophobicContact CH2-CE 4.39Å; W227-M233 HydrophobicContact CZ2-CE 3.51Å; W227-Y269 AromaticContact CE3-CD1 3.95Å; W227-Y269 HydrophobicContact CE3-CD1 3.95Å; W227-Y269 HydrophobicContact CE3-CG 4.17Å; W227-Y269 HydrophobicContact CZ3-CD1 4.07Å; W227-D270 HydrophobicContact CB-CB 4.47Å; W227-D270 HydrophobicContact CG-CB 4.25Å; W227-P271 HydrophobicContact CZ2-CG 4.2Å |
| 228 | P | 97.4 | Very high | 97.1 | Very high | 71 Ų | 71 | 50.4 Ų | 50.4 | 46% | 0.461 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | 126.4 | 174.3 | -24.3 | 33.8 | 0 | 0 | 0 | 111.4 | E224 | E224-P228 WeakPolarHBondContact OE2-CA 3.35Š|
| 229 | G | 95.9 | Very high | 97 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 31% | 0.309 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.9 | -3.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | E224 W227 T231 S232 | E224-G229 PolarHBondContact OE1-N 3.2Å; E224-G229 PolarHBondContact OE2-N 3.34Å; W227-G229 PolarHBondContact O-N 2.91Å; G229-T231 PolarHBondContact O-N 3.47Å; G229-S232 PolarHBondContact O-N 3.11Å |
| 230 | V | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -59.7 | -33.7 | -179.3 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | L175 P222 E224 W227 S232 M233 Y236 | L175-V230 HydrophobicContact CD1-CG2 3.98Å; P222-V230 HydrophobicContact CB-CG1 4.49Å; P222-V230 HydrophobicContact CB-CG2 4.15Å; P222-V230 HydrophobicContact CG-CG2 4Å; E224-V230 PolarHBondContact OE1-N 2.79Å; W227-V230 HydrophobicContact CB-CB 4.02Å; W227-V230 HydrophobicContact CB-CG1 4.38Å; W227-V230 HydrophobicContact CD2-CB 3.87Å; W227-V230 HydrophobicContact CD2-CG2 3.9Å; W227-V230 HydrophobicContact CE3-CB 4.04Å; W227-V230 HydrophobicContact CE3-CG2 3.55Å; W227-V230 HydrophobicContact CG-CB 3.86Å; W227-V230 HydrophobicContact CG-CG2 4.38Å; W227-V230 HydrophobicContact CZ3-CG2 4Å; W227-V230 WeakPolarHBondContact O-CB 3.42Å; W227-V230 VanDerWaalsContact O-CG1 3.29Å; W227-V230 WeakPolarHBondContact O-CG1 3.39Å; W227-V230 PolarHBondContact O-N 2.72Å; V230-S232 PolarHBondContact O-N 3.46Å; V230-M233 WeakPolarHBondContact O-CB 3.37Å; V230-M233 WeakPolarHBondContact O-CG 3.29Å; V230-M233 PolarHBondContact O-N 3.01Å; V230-Y236 HydrophobicContact CG2-CD2 4.06Å; V230-Y236 HydrophobicContact CG2-CE2 4.37Å; V230-Y236 WeakPolarHBondContact O-CB 3.5Å |
| 231 | T | 97 | Very high | 97 | Very high | 68 Ų | 68 | 57.6 Ų | 57.6 | 42% | 0.417 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -69.4 | -16.4 | 179.4 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | E224 G229 Y236 | E224-T231 HydrophobicContact CG-CG2 3.93Å; E224-T231 VanDerWaalsContact OE1-CB 3.25Å; E224-T231 WeakPolarHBondContact OE1-CB 3.25Å; E224-T231 WeakPolarHBondContact OE1-CG2 3.43Å; E224-T231 PolarHBondContact OE1-N 3.22Å; E224-T231 PolarHBondContact OE1-OG1 2.99Å; G229-T231 PolarHBondContact O-N 3.47Å; T231-Y236 HydrophobicContact CG2-CE1 3.89Å |
| 232 | S | 95.9 | Very high | 97 | Very high | 104 Ų | 104 | 63 Ų | 63 | 73% | 0.727 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -95.6 | 1.5 | 177.5 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | G229 V230 | G229-S232 PolarHBondContact O-N 3.11Å; V230-S232 PolarHBondContact O-N 3.46Å |
| 233 | M | 95.3 | Very high | 97 | Very high | 32 Ų | 32 | 66.2 Ų | 66.2 | 16% | 0.158 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -68.1 | 142.9 | 178.7 | -69.2 | -74.7 | 175.2 | 0 | 0 | 111.1 | L175 C177 W227 V230 D235 Y236 | L175-M233 HydrophobicContact CB-CB 3.99Å; L175-M233 HydrophobicContact CB-CG 4.32Å; C177-M233 HydrophobicContact CB-CE 4.47Å; C177-M233 HydrophobicContact CB-SD 3.8Å; W227-M233 HydrophobicContact CH2-CE 4.39Å; W227-M233 HydrophobicContact CZ2-CE 3.51Å; V230-M233 WeakPolarHBondContact O-CB 3.37Å; V230-M233 WeakPolarHBondContact O-CG 3.29Å; V230-M233 PolarHBondContact O-N 3.01Å; M233-D235 VanDerWaalsContact C-N 3.28Å; M233-D235 PolarHBondContact O-N 3.12Å; M233-D235 VanDerWaalsContact O-N 3.15Å; M233-Y236 PolarHBondContact O-N 3.26Å; M233-Y236 VanDerWaalsContact O-N 3.11Å |
| 234 | P | 95.2 | Very high | 97 | Very high | 74 Ų | 74 | 67.2 Ų | 67.2 | 48% | 0.481 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -42.5 | -173.8 | -32 | 39 | 0 | 0 | 0 | 114.9 | L175 G176 | L175-P234 WeakPolarHBondContact O-CD 3.38Å; G176-P234 WeakPolarHBondContact O-CG 3.36Å |
| 235 | D | 95.9 | Very high | 97 | Very high | 80 Ų | 80 | 69.5 Ų | 69.5 | 43% | 0.428 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 7.2 | -175.2 | -58.8 | -47.3 | 0 | 0 | 0 | 113.3 | L175 G176 M233 F240 | L175-D235 PolarHBondContact O-N 2.74Å; G176-D235 VanDerWaalsContact CA-OD2 3.25Å; G176-D235 WeakPolarHBondContact CA-OD2 3.38Å; G176-D235 PolarHBondContact N-OD2 3.06Å; M233-D235 VanDerWaalsContact C-N 3.28Å; M233-D235 PolarHBondContact O-N 3.12Å; M233-D235 VanDerWaalsContact O-N 3.15Å; D235-F240 WeakPolarHBondContact O-CZ 3.43Å |
| 236 | Y | 97.4 | Very high | 97 | Very high | 21 Ų | 21 | 68.6 Ų | 68.6 | 8% | 0.082 | 39% | 0.392 | C | S | . | . | trans | -68.7 | 135 | 171.7 | -179.2 | -90.1 | 0 | 0 | 0 | 110.9 | V230 T231 M233 P238 F240 K242 | V230-Y236 HydrophobicContact CG2-CD2 4.06Å; V230-Y236 HydrophobicContact CG2-CE2 4.37Å; V230-Y236 WeakPolarHBondContact O-CB 3.5Å; T231-Y236 HydrophobicContact CG2-CE1 3.89Å; M233-Y236 PolarHBondContact O-N 3.26Å; M233-Y236 VanDerWaalsContact O-N 3.11Å; Y236-P238 HydrophobicContact CE1-CG 4.38Å; Y236-F240 HydrophobicContact CD2-CD2 4.13Å; Y236-F240 HydrophobicContact CD2-CE2 4.23Å; Y236-F240 HydrophobicContact CE2-CD2 4.27Å; Y236-K242 PolarHBondContact OH-NZ 2.95Å | ||
| 237 | K | 97.3 | Very high | 97 | Very high | 100 Ų | 100 | 69.8 Ų | 69.8 | 44% | 0.435 | 40% | 0.396 | S | S | . | . | trans | -121.2 | 127.1 | 174 | -53.3 | -61.8 | 170.1 | -158.2 | 0 | 109.8 | S239 F240 | K237-S239 PolarHBondContact O-N 2.86Å; K237-S239 VanDerWaalsContact O-N 3.08Å; K237-F240 HydrophobicContact CB-CD1 3.87Å; K237-F240 HydrophobicContact CB-CD2 4.42Å; K237-F240 HydrophobicContact CB-CE1 3.68Å; K237-F240 HydrophobicContact CB-CE2 4.27Å; K237-F240 HydrophobicContact CB-CG 4.24Å; K237-F240 HydrophobicContact CB-CZ 3.9Å; K237-F240 HydrophobicContact CG-CD1 4.44Å; K237-F240 HydrophobicContact CG-CE1 3.75Å; K237-F240 HydrophobicContact CG-CZ 3.83Å; K237-F240 VanDerWaalsContact N-CE2 3.28Å; K237-F240 WeakPolarHBondContact O-CB 3.4Å; K237-F240 VanDerWaalsContact O-CD2 3.32Å; K237-F240 WeakPolarHBondContact O-CD2 3.36Å; K237-F240 VanDerWaalsContact O-CG 3.26Å; K237-F240 WeakPolarHBondContact O-CG 3.43Å; K237-F240 PolarHBondContact O-N 3.3Å | ||
| 238 | P | 95.3 | Very high | 96.8 | Very high | 108 Ų | 108 | 70.2 Ų | 70.2 | 70% | 0.701 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -25.2 | 174.1 | -25.9 | 34.6 | 0 | 0 | 0 | 113.6 | Y236 F240 | Y236-P238 HydrophobicContact CE1-CG 4.38Å; P238-F240 VanDerWaalsContact C-N 3.27Å; P238-F240 PolarHBondContact O-N 3.2Å |
| 239 | S | 97.1 | Very high | 96.7 | Very high | 106 Ų | 106 | 68.4 Ų | 68.4 | 74% | 0.741 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -1.7 | 177.7 | 55.5 | 0 | 0 | 0 | 0 | 114.7 | K237 | K237-S239 PolarHBondContact O-N 2.86Å; K237-S239 VanDerWaalsContact O-N 3.08Å |
| 240 | F | 98 | Very high | 96.7 | Very high | 19 Ų | 19 | 74.8 Ų | 74.8 | 8% | 0.083 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -58.2 | 137.7 | 174.1 | -70.3 | -27.3 | 0 | 0 | 0 | 111.1 | L175 I209 F213 F216 D235 Y236 K237 P238 | L175-F240 HydrophobicContact CD2-CE2 4.05Å; I209-F240 HydrophobicContact CD1-CD1 4.43Å; I209-F240 HydrophobicContact CD1-CE1 3.69Å; I209-F240 HydrophobicContact CD1-CZ 4.2Å; F213-F240 AromaticContact CE1-CD1 3.8Å; F213-F240 HydrophobicContact CE1-CD1 3.8Å; F213-F240 HydrophobicContact CE1-CE1 4.25Å; F213-F240 HydrophobicContact CE1-CG 4.32Å; F213-F240 HydrophobicContact CZ-CD1 4.22Å; F216-F240 HydrophobicContact CE2-CB 4.46Å; F216-F240 AromaticContact CE2-CD2 3.86Å; F216-F240 HydrophobicContact CE2-CD2 3.86Å; F216-F240 HydrophobicContact CE2-CE2 4.33Å; F216-F240 HydrophobicContact CE2-CG 4.29Å; F216-F240 HydrophobicContact CZ-CD2 4.44Å; D235-F240 WeakPolarHBondContact O-CZ 3.43Å; Y236-F240 HydrophobicContact CD2-CD2 4.13Å; Y236-F240 HydrophobicContact CD2-CE2 4.23Å; Y236-F240 HydrophobicContact CE2-CD2 4.27Å; K237-F240 HydrophobicContact CB-CD1 3.87Å; K237-F240 HydrophobicContact CB-CD2 4.42Å; K237-F240 HydrophobicContact CB-CE1 3.68Å; K237-F240 HydrophobicContact CB-CE2 4.27Å; K237-F240 HydrophobicContact CB-CG 4.24Å; K237-F240 HydrophobicContact CB-CZ 3.9Å; K237-F240 HydrophobicContact CG-CD1 4.44Å; K237-F240 HydrophobicContact CG-CE1 3.75Å; K237-F240 HydrophobicContact CG-CZ 3.83Å; K237-F240 VanDerWaalsContact N-CE2 3.28Å; K237-F240 WeakPolarHBondContact O-CB 3.4Å; K237-F240 VanDerWaalsContact O-CD2 3.32Å; K237-F240 WeakPolarHBondContact O-CD2 3.36Å; K237-F240 VanDerWaalsContact O-CG 3.26Å; K237-F240 WeakPolarHBondContact O-CG 3.43Å; K237-F240 PolarHBondContact O-N 3.3Å; P238-F240 VanDerWaalsContact C-N 3.27Å; P238-F240 PolarHBondContact O-N 3.2Å |
| 241 | P | 98.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 76.2 Ų | 76.2 | 37% | 0.37 | 42% | 0.418 | S | S | . | . | trans | -58.7 | 146.6 | 178.6 | -20.6 | 31.7 | 0 | 0 | 0 | 111.1 | F213 T221 W243 | F213-P241 HydrophobicContact CZ-CG 4.48Å; T221-P241 WeakPolarHBondContact CG2-O 3.4Å; T221-P241 PolarHBondContact OG1-O 3.11Å; P241-W243 HydrophobicContact CB-CD2 4.21Å; P241-W243 HydrophobicContact CB-CE3 3.98Å; P241-W243 HydrophobicContact CB-CH2 3.44Å; P241-W243 VanDerWaalsContact CB-CH2 3.44Å; P241-W243 HydrophobicContact CB-CZ2 3.62Å; P241-W243 HydrophobicContact CB-CZ3 3.6Å; P241-W243 HydrophobicContact CG-CH2 3.4Å; P241-W243 VanDerWaalsContact CG-CH2 3.4Å; P241-W243 HydrophobicContact CG-CZ2 3.89Å; P241-W243 HydrophobicContact CG-CZ3 3.84Å; P241-W243 VanDerWaalsContact O-CE3 3.3Å | ||
| 242 | K | 98 | Very high | 96.6 | Very high | 128 Ų | 128 | 73 Ų | 73 | 56% | 0.557 | 40% | 0.398 | S | S | * | . | trans | -98.3 | 100.6 | -178.5 | -58.5 | -59 | 179.8 | -178.8 | 0 | 109.3 | T221 Y236 | T221-K242 HydrophobicContact CG2-CD 4.06Å; T221-K242 WeakPolarHBondContact OG1-CA 3.21Å; Y236-K242 PolarHBondContact OH-NZ 2.95Å | ||
| 243 | W | 98.6 | Very high | 96.5 | Very high | 68 Ų | 68 | 72.3 Ų | 72.3 | 26% | 0.258 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -96.1 | 142.7 | 174.7 | -70.3 | -75.4 | 0 | 0 | 0 | 110.7 | F213 F216 R217 G220 T221 P241 | F213-W243 HydrophobicContact CB-CH2 3.87Å; F213-W243 HydrophobicContact CB-CZ3 4.17Å; F213-W243 AromaticContact CD1-CH2 3.83Å; F213-W243 HydrophobicContact CD1-CH2 3.83Å; F213-W243 AromaticContact CD1-CZ3 3.73Å; F213-W243 HydrophobicContact CD1-CZ3 3.73Å; F213-W243 AromaticContact CD2-CH2 3.99Å; F213-W243 HydrophobicContact CD2-CH2 3.99Å; F213-W243 HydrophobicContact CE1-CH2 4.33Å; F213-W243 HydrophobicContact CE1-CZ3 4.27Å; F213-W243 HydrophobicContact CE2-CH2 4.47Å; F213-W243 AromaticContact CG-CH2 3.63Å; F213-W243 HydrophobicContact CG-CH2 3.63Å; F213-W243 AromaticContact CG-CZ3 3.97Å; F213-W243 HydrophobicContact CG-CZ3 3.97Å; F216-W243 HydrophobicContact CB-CD2 4.45Å; F216-W243 HydrophobicContact CB-CE3 3.51Å; F216-W243 HydrophobicContact CB-CZ3 3.96Å; F216-W243 HydrophobicContact CD2-CE3 4.27Å; F216-W243 HydrophobicContact CD2-CZ3 4.06Å; F216-W243 HydrophobicContact CG-CE3 4.44Å; F216-W243 WeakPolarHBondContact O-CB 3.32Å; R217-W243 HydrophobicContact CB-CG 4.49Å; R217-W243 HydrophobicContact CG-CD2 3.74Å; R217-W243 HydrophobicContact CG-CE3 4.44Å; R217-W243 HydrophobicContact CG-CG 3.88Å; R217-W243 HydrophobicContact CG-CZ2 4.01Å; G220-W243 CarbonylContact C-O 3.58Å; G220-W243 VanDerWaalsContact CA-O 3.26Å; G220-W243 WeakPolarHBondContact CA-O 3.43Å; T221-W243 PolarHBondContact N-O 3.08Å; T221-W243 PolarHBondContact OG1-N 3.48Å; P241-W243 HydrophobicContact CB-CD2 4.21Å; P241-W243 HydrophobicContact CB-CE3 3.98Å; P241-W243 HydrophobicContact CB-CH2 3.44Å; P241-W243 VanDerWaalsContact CB-CH2 3.44Å; P241-W243 HydrophobicContact CB-CZ2 3.62Å; P241-W243 HydrophobicContact CB-CZ3 3.6Å; P241-W243 HydrophobicContact CG-CH2 3.4Å; P241-W243 VanDerWaalsContact CG-CH2 3.4Å; P241-W243 HydrophobicContact CG-CZ2 3.89Å; P241-W243 HydrophobicContact CG-CZ3 3.84Å; P241-W243 VanDerWaalsContact O-CE3 3.3Å |
| 244 | A | 98 | Very high | 96.5 | Very high | 85 Ų | 85 | 76.4 Ų | 76.4 | 70% | 0.702 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 149.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q246 | A244-Q246 PolarHBondContact O-N 3.45Š|
| 245 | R | 97.6 | Very high | 96.5 | Very high | 127 Ų | 127 | 73 Ų | 73 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 131.8 | 173.1 | -178.7 | 172.8 | -176.8 | 93.3 | -3.6 | 110.2 | L219 | L219-R245 WeakPolarHBondContact O-CB 3.29Å; L219-R245 WeakPolarHBondContact O-CG 3.33Å; L219-R245 PolarHBondContact O-NH1 2.75Å |
| 246 | Q | 97.3 | Very high | 96.5 | Very high | 88 Ų | 88 | 72 Ų | 72 | 41% | 0.411 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -82.7 | 152.7 | 171.6 | -60.7 | -171.8 | 32.3 | 0 | 0 | 110.9 | R217 T218 A244 L248 V251 | R217-Q246 WeakPolarHBondContact O-CG 3.22Å; R217-Q246 PolarHBondContact O-NE2 2.57Å; T218-Q246 WeakPolarHBondContact O-CB 3.26Å; T218-Q246 PolarHBondContact O-N 3.45Å; A244-Q246 PolarHBondContact O-N 3.45Å; Q246-L248 PolarHBondContact O-N 3.37Å; Q246-V251 HydrophobicContact CB-CG2 4.22Å |
| 247 | D | 96.1 | Very high | 96.5 | Very high | 94 Ų | 94 | 77.5 Ų | 77.5 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 123.5 | 168.7 | -179.3 | -0.6 | 0 | 0 | 0 | 109.9 | A249 K250 V251 | D247-A249 PolarHBondContact O-N 3.24Å; D247-A249 WeakPolarHBondContact OD1-CB 3.25Å; D247-A249 PolarHBondContact OD1-N 2.98Å; D247-K250 HydrophobicContact CB-CG 4.43Å; D247-K250 WeakPolarHBondContact O-CB 3.38Å; D247-K250 PolarHBondContact O-N 3.04Å; D247-V251 PolarHBondContact O-N 2.87Å |
| 248 | L | 94.4 | Very high | 96.5 | Very high | 15 Ų | 15 | 74.9 Ų | 74.9 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -61.5 | -23.6 | 178.6 | -70.9 | -177.7 | 0 | 0 | 0 | 112.6 | L219 Q246 K250 V251 V252 A264 | L219-L248 HydrophobicContact CD2-CD2 4.31Å; Q246-L248 PolarHBondContact O-N 3.37Å; L248-K250 PolarHBondContact O-N 3.36Å; L248-V251 HydrophobicContact CD2-CB 4.26Å; L248-V251 HydrophobicContact CD2-CG2 4.3Å; L248-V251 PolarHBondContact O-N 3.17Å; L248-V252 HydrophobicContact CB-CG2 4.39Å; L248-V252 WeakPolarHBondContact O-CG2 3.35Å; L248-V252 PolarHBondContact O-N 3.24Å; L248-A264 HydrophobicContact CD1-CB 3.62Å |
| 249 | A | 96.1 | Very high | 96.7 | Very high | 32 Ų | 32 | 69.8 Ų | 69.8 | 26% | 0.264 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.7 | -27 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D247 P253 | D247-A249 PolarHBondContact O-N 3.24Å; D247-A249 WeakPolarHBondContact OD1-CB 3.25Å; D247-A249 PolarHBondContact OD1-N 2.98Å; A249-P253 VanDerWaalsContact O-CA 3.26Å; A249-P253 WeakPolarHBondContact O-CA 3.38Å |
| 250 | K | 95.4 | Very high | 96.7 | Very high | 164 Ų | 164 | 67.8 Ų | 67.8 | 71% | 0.713 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -83.2 | -30.1 | 173.4 | -61 | -178.5 | -178.2 | 177.5 | 0 | 112.6 | D247 L248 | D247-K250 HydrophobicContact CB-CG 4.43Å; D247-K250 WeakPolarHBondContact O-CB 3.38Å; D247-K250 PolarHBondContact O-N 3.04Å; L248-K250 PolarHBondContact O-N 3.36Å |
| 251 | V | 95.1 | Very high | 96.7 | Very high | 30 Ų | 30 | 69.7 Ų | 69.7 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -78.5 | -42.6 | -177.5 | -176.7 | 0 | 0 | 0 | 0 | 111.2 | L202 T218 Q246 D247 L248 | L202-V251 HydrophobicContact CD1-CG1 3.58Å; T218-V251 HydrophobicContact CG2-CG1 3.97Å; T218-V251 HydrophobicContact CG2-CG2 3.76Å; Q246-V251 HydrophobicContact CB-CG2 4.22Å; D247-V251 PolarHBondContact O-N 2.87Å; L248-V251 HydrophobicContact CD2-CB 4.26Å; L248-V251 HydrophobicContact CD2-CG2 4.3Å; L248-V251 PolarHBondContact O-N 3.17Å |
| 252 | V | 96.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -128.1 | 66.1 | -177.9 | -69.4 | 0 | 0 | 0 | 0 | 110.9 | A194 T198 L248 L254 L255 R260 L263 | A194-V252 HydrophobicContact CB-CG1 3.95Å; T198-V252 HydrophobicContact CG2-CB 4.33Å; T198-V252 HydrophobicContact CG2-CG1 3.75Å; L248-V252 HydrophobicContact CB-CG2 4.39Å; L248-V252 WeakPolarHBondContact O-CG2 3.35Å; L248-V252 PolarHBondContact O-N 3.24Å; V252-L254 PolarHBondContact O-N 3.24Å; V252-L254 VanDerWaalsContact O-N 3.12Å; V252-L255 HydrophobicContact CB-CB 4.22Å; V252-L255 HydrophobicContact CG2-CB 4.17Å; V252-L255 HydrophobicContact CG2-CD2 4.13Å; V252-L255 WeakPolarHBondContact O-CB 3.36Å; V252-L255 PolarHBondContact O-N 3.13Å; V252-L255 VanDerWaalsContact O-N 3.08Å; V252-R260 HydrophobicContact CG2-CG 3.88Å; V252-L263 HydrophobicContact CB-CD2 4.4Å; V252-L263 HydrophobicContact CG1-CD2 3.82Å; V252-L263 HydrophobicContact CG2-CD2 3.75Å |
| 253 | P | 94.6 | Very high | 96.8 | Very high | 90 Ų | 90 | 60.9 Ų | 60.9 | 58% | 0.584 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -20.3 | -169.4 | 26.5 | -36.2 | 0 | 0 | 0 | 114.8 | A249 L255 | A249-P253 VanDerWaalsContact O-CA 3.26Å; A249-P253 WeakPolarHBondContact O-CA 3.38Å; P253-L255 VanDerWaalsContact C-N 3.31Å |
| 254 | L | 94.1 | Very high | 96.8 | Very high | 118 Ų | 118 | 59 Ų | 59 | 62% | 0.618 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -6.7 | 179 | -61 | 177 | 0 | 0 | 0 | 113.3 | V197 V252 | V197-L254 HydrophobicContact CG1-CB 3.79Å; V252-L254 PolarHBondContact O-N 3.24Å; V252-L254 VanDerWaalsContact O-N 3.12Å |
| 255 | L | 95.5 | Very high | 96.9 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -91.9 | 138.7 | -179.9 | -165 | 56.7 | 0 | 0 | 0 | 109.9 | L101 F193 V197 V252 P253 G259 R260 L263 F285 | L101-L255 HydrophobicContact CD1-CD1 4.04Å; F193-L255 HydrophobicContact CE1-CD2 3.89Å; F193-L255 HydrophobicContact CE2-CD1 3.91Å; F193-L255 HydrophobicContact CE2-CD2 4.28Å; F193-L255 HydrophobicContact CZ-CD1 3.63Å; F193-L255 HydrophobicContact CZ-CD2 3.63Å; F193-L255 HydrophobicContact CZ-CG 4.25Å; V197-L255 HydrophobicContact CG1-CB 4.24Å; V197-L255 HydrophobicContact CG2-CD1 4.13Å; V252-L255 HydrophobicContact CB-CB 4.22Å; V252-L255 HydrophobicContact CG2-CB 4.17Å; V252-L255 HydrophobicContact CG2-CD2 4.13Å; V252-L255 WeakPolarHBondContact O-CB 3.36Å; V252-L255 PolarHBondContact O-N 3.13Å; V252-L255 VanDerWaalsContact O-N 3.08Å; P253-L255 VanDerWaalsContact C-N 3.31Å; L255-G259 WeakPolarHBondContact CD2-O 3.3Å; L255-R260 HydrophobicContact CB-CG 4.1Å; L255-R260 HydrophobicContact CD2-CG 4.21Å; L255-R260 HydrophobicContact CG-CG 4.23Å; L255-R260 PolarHBondContact O-NH1 2.66Å; L255-L263 HydrophobicContact CD2-CB 4.4Å; L255-L263 HydrophobicContact CD2-CD2 4.31Å; L255-F285 HydrophobicContact CD1-CE2 4Å; L255-F285 HydrophobicContact CD1-CZ 4.07Å |
| 256 | D | 95.8 | Very high | 96.9 | Very high | 59 Ų | 59 | 52.3 Ų | 52.3 | 32% | 0.316 | 27% | 0.269 | S | S | . | . | trans | -71.4 | 177 | 174.8 | 58.7 | 21 | 0 | 0 | 0 | 112.3 | G259 R260 F285 | D256-G259 PolarHBondContact O-N 3.2Å; D256-G259 WeakPolarHBondContact OD1-CA 3.42Å; D256-G259 PolarHBondContact OD1-N 2.92Å; D256-R260 VanDerWaalsContact O-CG 3.32Å; D256-R260 WeakPolarHBondContact O-CG 3.25Å; D256-R260 PolarHBondContact O-N 2.78Å; D256-F285 WeakPolarHBondContact OD1-CE2 3.43Å | ||
| 257 | E | 97.4 | Very high | 97 | Very high | 136 Ų | 136 | 48.1 Ų | 48.1 | 64% | 0.636 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -61.6 | -45.5 | -177.6 | -172 | 175.1 | 175.2 | 0 | 0 | 112.6 | G259 R260 E261 | E257-G259 VanDerWaalsContact C-N 3.32Å; E257-G259 PolarHBondContact O-N 2.8Å; E257-R260 PolarHBondContact O-N 2.98Å; E257-E261 PolarHBondContact O-N 2.67Å |
| 258 | D | 98.3 | Very high | 97.1 | Very high | 46 Ų | 46 | 45.1 Ų | 45.1 | 25% | 0.246 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 178.4 | -71.3 | -7.7 | 0 | 0 | 0 | 111.6 | L262 H283 R284 F285 | D258-L262 PolarHBondContact O-N 3.06Å; D258-L262 VanDerWaalsContact O-N 3.07Å; D258-H283 PolarHBondContact O-CE1 2.99Å; D258-R284 HydrophobicContact CB-CG 4.11Å; D258-R284 WeakPolarHBondContact OD1-CD 3.49Å; D258-R284 IonicContact OD1-CZ 2.72Å; D258-R284 IonicContact OD1-NE 2.8Å; D258-R284 PolarHBondContact OD1-NE 3.46Å; D258-F285 HydrophobicContact CB-CB 4.03Å; D258-F285 HydrophobicContact CB-CD2 4.19Å |
| 259 | G | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -68.1 | -38.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L255 D256 E257 L262 L263 F285 | L255-G259 WeakPolarHBondContact CD2-O 3.3Å; D256-G259 PolarHBondContact O-N 3.2Å; D256-G259 WeakPolarHBondContact OD1-CA 3.42Å; D256-G259 PolarHBondContact OD1-N 2.92Å; E257-G259 VanDerWaalsContact C-N 3.32Å; E257-G259 PolarHBondContact O-N 2.8Å; G259-L262 PolarHBondContact O-N 3.23Å; G259-L263 VanDerWaalsContact O-CB 3.29Å; G259-L263 WeakPolarHBondContact O-CB 3.26Å; G259-L263 PolarHBondContact O-N 3.07Å; G259-F285 VanDerWaalsContact CA-CD2 3.41Å |
| 260 | R | 98.6 | Very high | 97.4 | Very high | 64 Ų | 64 | 43.9 Ų | 43.9 | 24% | 0.242 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67 | -38.2 | 177.6 | -73.5 | -174.5 | -55.9 | -106.4 | 2.8 | 112.3 | V252 L255 D256 E257 L263 A264 | V252-R260 HydrophobicContact CG2-CG 3.88Å; L255-R260 HydrophobicContact CB-CG 4.1Å; L255-R260 HydrophobicContact CD2-CG 4.21Å; L255-R260 HydrophobicContact CG-CG 4.23Å; L255-R260 PolarHBondContact O-NH1 2.66Å; D256-R260 VanDerWaalsContact O-CG 3.32Å; D256-R260 WeakPolarHBondContact O-CG 3.25Å; D256-R260 PolarHBondContact O-N 2.78Å; E257-R260 PolarHBondContact O-N 2.98Å; R260-L263 PolarHBondContact O-N 2.84Å; R260-A264 WeakPolarHBondContact O-CB 3.39Å; R260-A264 PolarHBondContact O-N 3.12Å |
| 261 | E | 98.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 37.2 Ų | 37.2 | 28% | 0.276 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -64.1 | -51 | 174.2 | -177.6 | -166.2 | -137.6 | 0 | 0 | 110.7 | E257 L263 A264 E265 H283 R284 | E257-E261 PolarHBondContact O-N 2.67Å; E261-L263 VanDerWaalsContact C-N 3.28Å; E261-L263 PolarHBondContact O-N 3.28Å; E261-A264 WeakPolarHBondContact O-CA 3.24Å; E261-A264 WeakPolarHBondContact O-CB 3.38Å; E261-A264 PolarHBondContact O-N 2.99Å; E261-E265 WeakPolarHBondContact O-CG 3.49Å; E261-E265 PolarHBondContact O-N 2.91Å; E261-H283 IonicContact OE2-CE1 2.62Å; E261-H283 PolarHBondContact OE2-CE1 2.86Å; E261-H283 IonicContact OE2-NE2 2.89Å; E261-H283 PolarHBondContact OE2-NE2 3.37Å; E261-R284 VanDerWaalsContact CD-NH1 3.25Å; E261-R284 IonicContact OE1-CZ 3.82Å; E261-R284 IonicContact OE1-NH1 3.19Å; E261-R284 PolarHBondContact OE1-NH1 2.73Å; E261-R284 IonicContact OE1-NH2 2.82Å; E261-R284 PolarHBondContact OE1-NH2 3.03Å; E261-R284 IonicContact OE2-CZ 2.94Å; E261-R284 IonicContact OE2-NE 2.65Å; E261-R284 PolarHBondContact OE2-NE 3.37Å; E261-R284 IonicContact OE2-NH1 3.96Å; E261-R284 PolarHBondContact OE2-NH1 3.05Å; E261-R284 IonicContact OE2-NH2 2.66Å; E261-R284 PolarHBondContact OE2-NH2 3.19Å |
| 262 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -55.7 | -44.9 | 175.8 | 178.2 | 58.5 | 0 | 0 | 0 | 111.5 | L108 D258 G259 A264 E265 M266 I275 A280 H283 F285 F286 | L108-L262 HydrophobicContact CD2-CD2 3.92Å; D258-L262 PolarHBondContact O-N 3.06Å; D258-L262 VanDerWaalsContact O-N 3.07Å; G259-L262 PolarHBondContact O-N 3.23Å; L262-A264 VanDerWaalsContact C-N 3.33Å; L262-A264 PolarHBondContact O-N 3.45Å; L262-E265 PolarHBondContact O-N 2.93Å; L262-M266 HydrophobicContact CD1-CG 4.26Å; L262-M266 HydrophobicContact CD1-SD 4.31Å; L262-M266 HydrophobicContact CG-SD 4.11Å; L262-M266 VanDerWaalsContact O-CG 3.26Å; L262-M266 WeakPolarHBondContact O-CG 3.4Å; L262-M266 PolarHBondContact O-N 3.18Å; L262-I275 HydrophobicContact CD1-CD1 4.44Å; L262-A280 HydrophobicContact CD1-CB 3.94Å; L262-H283 HydrophobicContact CD1-CB 4.04Å; L262-H283 HydrophobicContact CD2-CB 4.45Å; L262-F285 HydrophobicContact CD2-CB 4.19Å; L262-F285 HydrophobicContact CD2-CD1 3.79Å; L262-F285 HydrophobicContact CD2-CG 4.31Å; L262-F286 HydrophobicContact CD2-CE2 3.53Å; L262-F286 HydrophobicContact CD2-CZ 3.63Å |
| 263 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.3 | -41 | 176.9 | -179.1 | 63.5 | 0 | 0 | 0 | 111.8 | G190 F193 A194 V252 L255 G259 R260 E261 E265 M266 L267 | G190-L263 WeakPolarHBondContact O-CD1 3.43Å; F193-L263 HydrophobicContact CB-CD1 4.49Å; F193-L263 HydrophobicContact CD1-CB 4.06Å; F193-L263 HydrophobicContact CD1-CD1 3.84Å; F193-L263 HydrophobicContact CD1-CG 4.47Å; F193-L263 HydrophobicContact CE1-CB 3.99Å; F193-L263 HydrophobicContact CG-CD1 4.5Å; A194-L263 HydrophobicContact CB-CD1 4.24Å; A194-L263 HydrophobicContact CB-CD2 4.12Å; V252-L263 HydrophobicContact CB-CD2 4.4Å; V252-L263 HydrophobicContact CG1-CD2 3.82Å; V252-L263 HydrophobicContact CG2-CD2 3.75Å; L255-L263 HydrophobicContact CD2-CB 4.4Å; L255-L263 HydrophobicContact CD2-CD2 4.31Å; G259-L263 VanDerWaalsContact O-CB 3.29Å; G259-L263 WeakPolarHBondContact O-CB 3.26Å; G259-L263 PolarHBondContact O-N 3.07Å; R260-L263 PolarHBondContact O-N 2.84Å; E261-L263 VanDerWaalsContact C-N 3.28Å; E261-L263 PolarHBondContact O-N 3.28Å; L263-E265 VanDerWaalsContact C-N 3.34Å; L263-E265 PolarHBondContact O-N 3.41Å; L263-M266 PolarHBondContact O-N 3.32Å; L263-L267 HydrophobicContact CD1-CD1 3.74Å; L263-L267 HydrophobicContact CD1-CG 4.09Å; L263-L267 HydrophobicContact CG-CD1 3.96Å; L263-L267 WeakPolarHBondContact O-CB 3.16Å; L263-L267 WeakPolarHBondContact O-CG 3.41Å; L263-L267 PolarHBondContact O-N 2.99Å |
| 264 | A | 98.6 | Very high | 97.7 | Very high | 30 Ų | 30 | 45.1 Ų | 45.1 | 25% | 0.248 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62 | -42.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L248 R260 E261 L262 L267 S268 | L248-A264 HydrophobicContact CD1-CB 3.62Å; R260-A264 WeakPolarHBondContact O-CB 3.39Å; R260-A264 PolarHBondContact O-N 3.12Å; E261-A264 WeakPolarHBondContact O-CA 3.24Å; E261-A264 WeakPolarHBondContact O-CB 3.38Å; E261-A264 PolarHBondContact O-N 2.99Å; L262-A264 VanDerWaalsContact C-N 3.33Å; L262-A264 PolarHBondContact O-N 3.45Å; A264-L267 CarbonylContact O-C 3.59Å; A264-L267 PolarHBondContact O-N 3.44Å; A264-S268 PolarHBondContact O-N 3.22Å |
| 265 | E | 98.8 | Very high | 97.9 | Very high | 70 Ų | 70 | 40.5 Ų | 40.5 | 33% | 0.327 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.3 | -36.6 | 178 | -67.1 | -177.2 | 162.3 | 0 | 0 | 112.3 | E261 L262 L263 L267 I275 H283 | E261-E265 WeakPolarHBondContact O-CG 3.49Å; E261-E265 PolarHBondContact O-N 2.91Å; L262-E265 PolarHBondContact O-N 2.93Å; L263-E265 VanDerWaalsContact C-N 3.34Å; L263-E265 PolarHBondContact O-N 3.41Å; E265-L267 VanDerWaalsContact C-N 3.33Å; E265-I275 HydrophobicContact CB-CB 3.96Å; E265-I275 HydrophobicContact CB-CG2 3.84Å; E265-I275 PolarHBondContact O-N 3.03Å; E265-I275 VanDerWaalsContact O-N 3.15Å; E265-I275 WeakPolarHBondContact OE2-CD1 3.46Å; E265-H283 IonicContact OE2-CD2 2.88Å |
| 266 | M | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.7 | -29.3 | 173.8 | -67.8 | 178.8 | 80.3 | 0 | 0 | 112.8 | L108 L112 I186 L189 F193 L262 L263 R274 I275 | L108-M266 HydrophobicContact CD1-CE 4.25Å; L112-M266 HydrophobicContact CD2-CE 4.41Å; I186-M266 HydrophobicContact CG2-CB 3.93Å; I186-M266 HydrophobicContact CG2-CE 4.18Å; I186-M266 HydrophobicContact CG2-CG 3.92Å; L189-M266 HydrophobicContact CB-CE 3.77Å; L189-M266 HydrophobicContact CD2-CE 4Å; L189-M266 HydrophobicContact CG-CE 3.74Å; F193-M266 HydrophobicContact CD1-SD 4.43Å; L262-M266 HydrophobicContact CD1-CG 4.26Å; L262-M266 HydrophobicContact CD1-SD 4.31Å; L262-M266 HydrophobicContact CG-SD 4.11Å; L262-M266 VanDerWaalsContact O-CG 3.26Å; L262-M266 WeakPolarHBondContact O-CG 3.4Å; L262-M266 PolarHBondContact O-N 3.18Å; L263-M266 PolarHBondContact O-N 3.32Å; M266-R274 WeakPolarHBondContact O-CD 3.27Å; M266-R274 VanDerWaalsContact O-CG 3.24Å; M266-R274 WeakPolarHBondContact O-CG 3.2Å; M266-I275 HydrophobicContact CB-CG2 4.42Å; M266-I275 HydrophobicContact CG-CG2 3.71Å |
| 267 | L | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 22.3 | -180 | -62.8 | 179.4 | 0 | 0 | 0 | 113.2 | W187 L202 L219 L263 A264 E265 Y269 | W187-L267 HydrophobicContact CD2-CD2 3.96Å; W187-L267 HydrophobicContact CE3-CD2 4Å; W187-L267 HydrophobicContact CH2-CD2 4.43Å; W187-L267 HydrophobicContact CZ2-CD2 4.37Å; W187-L267 HydrophobicContact CZ3-CB 4.23Å; W187-L267 HydrophobicContact CZ3-CD2 4.25Å; W187-L267 WeakPolarHBondContact CZ3-O 3.31Å; L202-L267 HydrophobicContact CD2-CD1 3.63Å; L219-L267 HydrophobicContact CD1-CB 4.09Å; L263-L267 HydrophobicContact CD1-CD1 3.74Å; L263-L267 HydrophobicContact CD1-CG 4.09Å; L263-L267 HydrophobicContact CG-CD1 3.96Å; L263-L267 WeakPolarHBondContact O-CB 3.16Å; L263-L267 WeakPolarHBondContact O-CG 3.41Å; L263-L267 PolarHBondContact O-N 2.99Å; A264-L267 CarbonylContact O-C 3.59Å; A264-L267 PolarHBondContact O-N 3.44Å; E265-L267 VanDerWaalsContact C-N 3.33Å; L267-Y269 PolarHBondContact O-N 2.87Å |
| 268 | S | 98.4 | Very high | 98.2 | Very high | 30 Ų | 30 | 40.8 Ų | 40.8 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | trans | -63 | 134.7 | 173 | -169.8 | 0 | 0 | 0 | 0 | 110.7 | A264 R274 | A264-S268 PolarHBondContact O-N 3.22Å; S268-R274 PolarHBondContact O-NE 3.43Å; S268-R274 PolarHBondContact O-NH2 2.82Å | ||
| 269 | Y | 98.4 | Very high | 98.2 | Very high | 9 Ų | 9 | 43 Ų | 43 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -62.7 | -55.3 | 179.8 | -86.7 | -61.8 | 0 | 0 | 0 | 111.8 | P171 I215 F216 L219 G220 P222 V226 W227 L267 P271 R274 | P171-Y269 HydrophobicContact CB-CD1 4.25Å; P171-Y269 HydrophobicContact CB-CE1 4.32Å; P171-Y269 HydrophobicContact CG-CD1 3.93Å; P171-Y269 HydrophobicContact CG-CE1 4.34Å; I215-Y269 HydrophobicContact CG2-CE1 3.77Å; F216-Y269 HydrophobicContact CD1-CE1 4.31Å; F216-Y269 WeakPolarHBondContact CD1-OH 3.25Å; F216-Y269 HydrophobicContact CE1-CE1 4.3Å; L219-Y269 HydrophobicContact CB-CE2 3.77Å; G220-Y269 VanDerWaalsContact O-CE2 3.25Å; G220-Y269 WeakPolarHBondContact O-CE2 3.38Å; G220-Y269 VanDerWaalsContact O-CZ 3.26Å; G220-Y269 PolarHBondContact O-OH 3.33Å; P222-Y269 HydrophobicContact CB-CD1 4.11Å; P222-Y269 HydrophobicContact CB-CD2 4.01Å; P222-Y269 HydrophobicContact CB-CE1 4.27Å; P222-Y269 HydrophobicContact CB-CE2 4.13Å; P222-Y269 HydrophobicContact CB-CG 4Å; P222-Y269 HydrophobicContact CG-CD1 4.24Å; P222-Y269 HydrophobicContact CG-CE1 4.05Å; V226-Y269 HydrophobicContact CG2-CD2 4.34Å; W227-Y269 AromaticContact CE3-CD1 3.95Å; W227-Y269 HydrophobicContact CE3-CD1 3.95Å; W227-Y269 HydrophobicContact CE3-CG 4.17Å; W227-Y269 HydrophobicContact CZ3-CD1 4.07Å; L267-Y269 PolarHBondContact O-N 2.87Å; Y269-P271 WeakPolarHBondContact O-CD 3.31Å; Y269-R274 PolarHBondContact O-NH2 2.93Å; Y269-R274 VanDerWaalsContact O-NH2 3.13Å |
| 270 | D | 97.6 | Very high | 98.3 | Very high | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.064 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -64.6 | 112.9 | 178.5 | -176.9 | -10.8 | 0 | 0 | 0 | 109.7 | W227 N272 K273 R274 | W227-D270 HydrophobicContact CB-CB 4.47Å; W227-D270 HydrophobicContact CG-CB 4.25Å; D270-N272 PolarHBondContact O-N 2.58Å; D270-N272 WeakPolarHBondContact OD1-CB 3.42Å; D270-N272 PolarHBondContact OD1-N 2.87Å; D270-N272 PolarHBondContact OD1-ND2 2.58Å; D270-N272 VanDerWaalsContact OD1-ND2 3.08Å; D270-K273 HydrophobicContact CB-CB 4.13Å; D270-K273 HydrophobicContact CB-CD 4.09Å; D270-K273 HydrophobicContact CB-CG 4.07Å; D270-K273 PolarHBondContact O-N 2.83Å; D270-K273 WeakPolarHBondContact OD2-CE 3.25Å; D270-R274 PolarHBondContact O-N 2.88Å |
| 271 | P | 95.9 | Very high | 98.3 | Very high | 25 Ų | 25 | 41.8 Ų | 41.8 | 16% | 0.162 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22.6 | -178.7 | -23.8 | 35.5 | 0 | 0 | 0 | 113.2 | E172 A183 W227 Y269 | E172-P271 HydrophobicContact CB-CG 4.09Å; E172-P271 HydrophobicContact CG-CG 3.99Å; A183-P271 HydrophobicContact CB-CB 3.81Å; W227-P271 HydrophobicContact CZ2-CG 4.2Å; Y269-P271 WeakPolarHBondContact O-CD 3.31Å |
| 272 | N | 95.7 | Very high | 98.3 | Very high | 148 Ų | 148 | 45 Ų | 45 | 79% | 0.791 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -22.9 | 177.7 | -55.9 | -62.7 | 0 | 0 | 0 | 112.9 | D270 | D270-N272 PolarHBondContact O-N 2.58Å; D270-N272 WeakPolarHBondContact OD1-CB 3.42Å; D270-N272 PolarHBondContact OD1-N 2.87Å; D270-N272 PolarHBondContact OD1-ND2 2.58Å; D270-N272 VanDerWaalsContact OD1-ND2 3.08Å |
| 273 | K | 97.6 | Very high | 98.3 | Very high | 123 Ų | 123 | 46 Ų | 46 | 54% | 0.535 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -14.2 | 175.6 | -63 | -179.3 | -172.9 | 173.3 | 0 | 112.5 | D270 I275 | D270-K273 HydrophobicContact CB-CB 4.13Å; D270-K273 HydrophobicContact CB-CD 4.09Å; D270-K273 HydrophobicContact CB-CG 4.07Å; D270-K273 PolarHBondContact O-N 2.83Å; D270-K273 WeakPolarHBondContact OD2-CE 3.25Å; K273-I275 PolarHBondContact O-N 3.41Å |
| 274 | R | 98.4 | Very high | 98.2 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -64 | 130.8 | 176.5 | -162.7 | 178.2 | -61.8 | 149.3 | 6.8 | 109.8 | E172 A183 I186 M266 S268 Y269 D270 S276 | E172-R274 IonicContact OE1-CZ 3.23Å; E172-R274 IonicContact OE1-NH1 3.81Å; E172-R274 PolarHBondContact OE1-NH1 3.17Å; E172-R274 IonicContact OE1-NH2 3.66Å; E172-R274 IonicContact OE2-CZ 3.18Å; E172-R274 IonicContact OE2-NH1 2.81Å; E172-R274 PolarHBondContact OE2-NH1 3.16Å; E172-R274 IonicContact OE2-NH2 3.19Å; E172-R274 PolarHBondContact OE2-NH2 3.01Å; A183-R274 VanDerWaalsContact C-NH1 3.27Å; A183-R274 HydrophobicContact CB-CB 4.46Å; A183-R274 VanDerWaalsContact O-CD 3.3Å; A183-R274 WeakPolarHBondContact O-CD 3.41Å; A183-R274 PolarHBondContact O-NH1 3.44Å; I186-R274 HydrophobicContact CB-CG 4.44Å; I186-R274 HydrophobicContact CG2-CG 4.03Å; M266-R274 WeakPolarHBondContact O-CD 3.27Å; M266-R274 VanDerWaalsContact O-CG 3.24Å; M266-R274 WeakPolarHBondContact O-CG 3.2Å; S268-R274 PolarHBondContact O-NE 3.43Å; S268-R274 PolarHBondContact O-NH2 2.82Å; Y269-R274 PolarHBondContact O-NH2 2.93Å; Y269-R274 VanDerWaalsContact O-NH2 3.13Å; D270-R274 PolarHBondContact O-N 2.88Å; R274-S276 PolarHBondContact O-N 3.32Å |
| 275 | I | 98.8 | Very high | 98.2 | Very high | 22 Ų | 22 | 48.9 Ų | 48.9 | 11% | 0.113 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 140.4 | -175.9 | -170.8 | 160.6 | 0 | 0 | 0 | 111.3 | I186 L262 E265 M266 K273 N279 A280 | I186-I275 WeakPolarHBondContact CG1-O 3.41Å; I186-I275 HydrophobicContact CG2-CG2 4.26Å; I186-I275 WeakPolarHBondContact CG2-O 3.41Å; L262-I275 HydrophobicContact CD1-CD1 4.44Å; E265-I275 HydrophobicContact CB-CB 3.96Å; E265-I275 HydrophobicContact CB-CG2 3.84Å; E265-I275 PolarHBondContact O-N 3.03Å; E265-I275 VanDerWaalsContact O-N 3.15Å; E265-I275 WeakPolarHBondContact OE2-CD1 3.46Å; M266-I275 HydrophobicContact CB-CG2 4.42Å; M266-I275 HydrophobicContact CG-CG2 3.71Å; K273-I275 PolarHBondContact O-N 3.41Å; I275-N279 HydrophobicContact CD1-CB 4.03Å; I275-N279 HydrophobicContact CG1-CB 3.72Å; I275-A280 HydrophobicContact CD1-CB 4.06Å; I275-A280 HydrophobicContact CG1-CB 4.16Å; I275-A280 HydrophobicContact CG2-CB 4.36Å |
| 276 | S | 98.8 | Very high | 98.2 | Very high | 44 Ų | 44 | 46.1 Ų | 46.1 | 31% | 0.308 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -77.8 | 154.8 | 173.3 | 71.8 | 0 | 0 | 0 | 0 | 111 | R274 K278 N279 A280 | R274-S276 PolarHBondContact O-N 3.32Å; S276-K278 PolarHBondContact O-N 3.5Å; S276-N279 PolarHBondContact O-N 3.04Å; S276-N279 VanDerWaalsContact O-N 3.09Å; S276-N279 WeakPolarHBondContact OG-CB 3.26Å; S276-N279 VanDerWaalsContact OG-CG 3.27Å; S276-N279 PolarHBondContact OG-N 3.48Å; S276-N279 VanDerWaalsContact OG-N 3.16Å; S276-N279 PolarHBondContact OG-ND2 3.07Å; S276-A280 WeakPolarHBondContact O-CB 3.43Å; S276-A280 PolarHBondContact O-N 3.11Å |
| 277 | A | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 2% | 0.017 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.4 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L112 L115 A116 I186 N279 A280 L281 | L112-A277 HydrophobicContact CD2-CB 4.23Å; L115-A277 HydrophobicContact CB-CB 4.05Å; A116-A277 HydrophobicContact CB-CB 3.91Å; I186-A277 HydrophobicContact CD1-CB 3.74Å; A277-N279 PolarHBondContact O-N 2.99Å; A277-A280 PolarHBondContact O-N 3.15Å; A277-L281 WeakPolarHBondContact O-CG 3.2Å; A277-L281 PolarHBondContact O-N 3.49Å; A277-L281 VanDerWaalsContact O-N 3.15Å |
| 278 | K | 98.4 | Very high | 98 | Very high | 158 Ų | 158 | 61.3 Ų | 61.3 | 69% | 0.687 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60.8 | -44 | 177.7 | -176.8 | -179.4 | 177.7 | -178.1 | 0 | 112.4 | S276 | S276-K278 PolarHBondContact O-N 3.5Å |
| 279 | N | 98.7 | Very high | 98 | Very high | 92 Ų | 92 | 62 Ų | 62 | 49% | 0.492 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -74.8 | -34 | 180 | -68.8 | -5 | 0 | 0 | 0 | 111.5 | I275 S276 A277 L281 V282 | I275-N279 HydrophobicContact CD1-CB 4.03Å; I275-N279 HydrophobicContact CG1-CB 3.72Å; S276-N279 PolarHBondContact O-N 3.04Å; S276-N279 VanDerWaalsContact O-N 3.09Å; S276-N279 WeakPolarHBondContact OG-CB 3.26Å; S276-N279 VanDerWaalsContact OG-CG 3.27Å; S276-N279 PolarHBondContact OG-N 3.48Å; S276-N279 VanDerWaalsContact OG-N 3.16Å; S276-N279 PolarHBondContact OG-ND2 3.07Å; A277-N279 PolarHBondContact O-N 2.99Å; N279-L281 VanDerWaalsContact C-N 3.27Å; N279-L281 PolarHBondContact O-N 3.28Å; N279-V282 WeakPolarHBondContact O-CG2 3.32Å; N279-V282 PolarHBondContact O-N 3.32Å |
| 280 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.1 | -34.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L112 L262 I275 S276 A277 V282 H283 F286 | L112-A280 HydrophobicContact CD1-CB 3.78Å; L112-A280 HydrophobicContact CD2-CB 3.77Å; L112-A280 HydrophobicContact CG-CB 4.41Å; L262-A280 HydrophobicContact CD1-CB 3.94Å; I275-A280 HydrophobicContact CD1-CB 4.06Å; I275-A280 HydrophobicContact CG1-CB 4.16Å; I275-A280 HydrophobicContact CG2-CB 4.36Å; S276-A280 WeakPolarHBondContact O-CB 3.43Å; S276-A280 PolarHBondContact O-N 3.11Å; A277-A280 PolarHBondContact O-N 3.15Å; A280-V282 PolarHBondContact O-N 2.8Å; A280-H283 WeakPolarHBondContact O-CB 3.08Å; A280-H283 PolarHBondContact O-N 2.95Å; A280-F286 VanDerWaalsContact O-CD2 3.3Å; A280-F286 WeakPolarHBondContact O-CD2 3.49Å; A280-F286 WeakPolarHBondContact O-CE2 3.33Å |
| 281 | L | 98.7 | Very high | 97.7 | Very high | 39 Ų | 39 | 68.9 Ų | 68.9 | 20% | 0.204 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.2 | 177.6 | -74.2 | 167.8 | 0 | 0 | 0 | 114.4 | F109 L112 Q113 A116 A277 N279 | F109-L281 HydrophobicContact CD2-CD2 3.69Å; F109-L281 HydrophobicContact CE2-CD2 3.57Å; F109-L281 HydrophobicContact CG-CD2 4.41Å; F109-L281 HydrophobicContact CZ-CD2 4.2Å; L112-L281 HydrophobicContact CB-CD2 3.62Å; L112-L281 HydrophobicContact CB-CG 3.97Å; Q113-L281 HydrophobicContact CG-CD1 4.26Å; Q113-L281 HydrophobicContact CG-CD2 3.66Å; A116-L281 HydrophobicContact CB-CD1 3.97Å; A277-L281 WeakPolarHBondContact O-CG 3.2Å; A277-L281 PolarHBondContact O-N 3.49Å; A277-L281 VanDerWaalsContact O-N 3.15Å; N279-L281 VanDerWaalsContact C-N 3.27Å; N279-L281 PolarHBondContact O-N 3.28Å |
| 282 | V | 98.3 | Very high | 97.7 | Very high | 126 Ų | 126 | 69.5 Ų | 69.5 | 76% | 0.764 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 8.4 | 177.6 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | N279 A280 | N279-V282 WeakPolarHBondContact O-CG2 3.32Å; N279-V282 PolarHBondContact O-N 3.32Å; A280-V282 PolarHBondContact O-N 2.8Å |
| 283 | H | 98.8 | Very high | 97.5 | Very high | 20 Ų | 20 | 67.1 Ų | 67.1 | 9% | 0.093 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -66.1 | 145.3 | 178.4 | -165.6 | -86.6 | 0 | 0 | 0 | 111.7 | D258 E261 L262 E265 A280 F285 F286 | D258-H283 PolarHBondContact O-CE1 2.99Å; E261-H283 IonicContact OE2-CE1 2.62Å; E261-H283 PolarHBondContact OE2-CE1 2.86Å; E261-H283 IonicContact OE2-NE2 2.89Å; E261-H283 PolarHBondContact OE2-NE2 3.37Å; L262-H283 HydrophobicContact CD1-CB 4.04Å; L262-H283 HydrophobicContact CD2-CB 4.45Å; E265-H283 IonicContact OE2-CD2 2.88Å; A280-H283 WeakPolarHBondContact O-CB 3.08Å; A280-H283 PolarHBondContact O-N 2.95Å; H283-F285 WeakPolarHBondContact ND1-CB 3.46Å; H283-F285 PolarHBondContact ND1-N 3.2Å; H283-F285 VanDerWaalsContact ND1-N 3.17Å; H283-F285 PolarHBondContact O-N 3.32Å; H283-F285 VanDerWaalsContact O-N 3.12Å; H283-F286 HydrophobicContact CB-CD2 4.19Å; H283-F286 HydrophobicContact CB-CE2 4.38Å; H283-F286 PolarHBondContact O-N 3.1Å |
| 284 | R | 98.3 | Very high | 97.2 | Very high | 90 Ų | 90 | 61.6 Ų | 61.6 | 34% | 0.34 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -59.9 | -25.9 | -177 | 55.3 | 178 | -176.4 | -99.2 | 16.5 | 114.5 | D258 E261 F286 R287 | D258-R284 HydrophobicContact CB-CG 4.11Å; D258-R284 WeakPolarHBondContact OD1-CD 3.49Å; D258-R284 IonicContact OD1-CZ 2.72Å; D258-R284 IonicContact OD1-NE 2.8Å; D258-R284 PolarHBondContact OD1-NE 3.46Å; E261-R284 VanDerWaalsContact CD-NH1 3.25Å; E261-R284 IonicContact OE1-CZ 3.82Å; E261-R284 IonicContact OE1-NH1 3.19Å; E261-R284 PolarHBondContact OE1-NH1 2.73Å; E261-R284 IonicContact OE1-NH2 2.82Å; E261-R284 PolarHBondContact OE1-NH2 3.03Å; E261-R284 IonicContact OE2-CZ 2.94Å; E261-R284 IonicContact OE2-NE 2.65Å; E261-R284 PolarHBondContact OE2-NE 3.37Å; E261-R284 IonicContact OE2-NH1 3.96Å; E261-R284 PolarHBondContact OE2-NH1 3.05Å; E261-R284 IonicContact OE2-NH2 2.66Å; E261-R284 PolarHBondContact OE2-NH2 3.19Å; R284-F286 PolarHBondContact O-N 2.91Å; R284-R287 WeakPolarHBondContact O-CB 3.25Å; R284-R287 WeakPolarHBondContact O-CG 3.25Å; R284-R287 PolarHBondContact O-N 2.92Å; R284-R287 VanDerWaalsContact O-N 3.09Å |
| 285 | F | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 0% | 0.004 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -53.1 | -25.6 | 172.4 | -176.7 | -115.7 | 0 | 0 | 0 | 113.7 | L101 K105 L108 F193 L255 D256 D258 G259 L262 H283 | L101-F285 HydrophobicContact CD1-CZ 4.4Å; K105-F285 HydrophobicContact CB-CE1 4.13Å; K105-F285 HydrophobicContact CB-CZ 4.17Å; K105-F285 VanDerWaalsContact CD-O 3.22Å; K105-F285 WeakPolarHBondContact CD-O 3.48Å; K105-F285 WeakPolarHBondContact CE-O 3.41Å; K105-F285 HydrophobicContact CG-CD1 4.27Å; K105-F285 HydrophobicContact CG-CE1 3.81Å; K105-F285 HydrophobicContact CG-CZ 4.12Å; K105-F285 PolarHBondContact NZ-O 2.93Å; K105-F285 VanDerWaalsContact NZ-O 3.13Å; L108-F285 HydrophobicContact CD2-CD1 4.4Å; L108-F285 HydrophobicContact CD2-CE1 4.06Å; F193-F285 HydrophobicContact CE2-CE1 4.1Å; F193-F285 HydrophobicContact CE2-CZ 4.07Å; F193-F285 HydrophobicContact CZ-CD1 4.43Å; F193-F285 AromaticContact CZ-CE1 3.71Å; F193-F285 HydrophobicContact CZ-CE1 3.71Å; F193-F285 AromaticContact CZ-CZ 3.76Å; F193-F285 HydrophobicContact CZ-CZ 3.76Å; L255-F285 HydrophobicContact CD1-CE2 4Å; L255-F285 HydrophobicContact CD1-CZ 4.07Å; D256-F285 WeakPolarHBondContact OD1-CE2 3.43Å; D258-F285 HydrophobicContact CB-CB 4.03Å; D258-F285 HydrophobicContact CB-CD2 4.19Å; G259-F285 VanDerWaalsContact CA-CD2 3.41Å; L262-F285 HydrophobicContact CD2-CB 4.19Å; L262-F285 HydrophobicContact CD2-CD1 3.79Å; L262-F285 HydrophobicContact CD2-CG 4.31Å; H283-F285 WeakPolarHBondContact ND1-CB 3.46Å; H283-F285 PolarHBondContact ND1-N 3.2Å; H283-F285 VanDerWaalsContact ND1-N 3.17Å; H283-F285 PolarHBondContact O-N 3.32Å; H283-F285 VanDerWaalsContact O-N 3.12Å |
| 286 | F | 98.6 | Very high | 95.9 | Very high | 12 Ų | 12 | 69.8 Ų | 69.8 | 5% | 0.053 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -99 | 6.2 | -178 | -59.3 | -63.3 | 0 | 0 | 0 | 114.8 | K105 L108 F109 L112 L262 A280 H283 R284 D288 V289 | K105-F286 HydrophobicContact CG-CD1 3.87Å; K105-F286 HydrophobicContact CG-CE1 4.18Å; L108-F286 HydrophobicContact CB-CE1 4.32Å; L108-F286 HydrophobicContact CB-CZ 4.43Å; L108-F286 HydrophobicContact CD2-CE1 4.14Å; L108-F286 HydrophobicContact CD2-CZ 3.71Å; L108-F286 HydrophobicContact CG-CE1 4.21Å; L108-F286 HydrophobicContact CG-CZ 3.83Å; F109-F286 HydrophobicContact CB-CD1 3.81Å; F109-F286 HydrophobicContact CB-CE1 3.74Å; F109-F286 HydrophobicContact CD2-CB 3.99Å; F109-F286 AromaticContact CD2-CD1 3.68Å; F109-F286 HydrophobicContact CD2-CD1 3.68Å; F109-F286 HydrophobicContact CD2-CD2 4.07Å; F109-F286 HydrophobicContact CD2-CE1 4.14Å; F109-F286 HydrophobicContact CD2-CE2 4.49Å; F109-F286 AromaticContact CD2-CG 3.64Å; F109-F286 HydrophobicContact CD2-CG 3.64Å; F109-F286 HydrophobicContact CE2-CB 4.24Å; F109-F286 HydrophobicContact CE2-CG 4.29Å; F109-F286 HydrophobicContact CG-CD1 4.13Å; F109-F286 HydrophobicContact CG-CE1 4.44Å; L112-F286 HydrophobicContact CD1-CE2 3.64Å; L112-F286 HydrophobicContact CD1-CZ 3.54Å; L262-F286 HydrophobicContact CD2-CE2 3.53Å; L262-F286 HydrophobicContact CD2-CZ 3.63Å; A280-F286 VanDerWaalsContact O-CD2 3.3Å; A280-F286 WeakPolarHBondContact O-CD2 3.49Å; A280-F286 WeakPolarHBondContact O-CE2 3.33Å; H283-F286 HydrophobicContact CB-CD2 4.19Å; H283-F286 HydrophobicContact CB-CE2 4.38Å; H283-F286 PolarHBondContact O-N 3.1Å; R284-F286 PolarHBondContact O-N 2.91Å; F286-D288 PolarHBondContact O-N 3.25Å; F286-D288 VanDerWaalsContact O-N 3.16Å; F286-V289 HydrophobicContact CB-CB 4.41Å; F286-V289 HydrophobicContact CB-CG1 4.41Å; F286-V289 HydrophobicContact CD1-CB 4.49Å; F286-V289 VanDerWaalsContact O-CG1 3.28Å; F286-V289 WeakPolarHBondContact O-CG1 3.33Å; F286-V289 PolarHBondContact O-N 2.65Å; F286-V289 VanDerWaalsContact O-N 3.17Å |
| 287 | R | 96.8 | Very high | 94.7 | Very high | 212 Ų | 212 | 79.2 Ų | 79.2 | 80% | 0.8 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -30.7 | -178 | -77.6 | 173.7 | 177.9 | 175.5 | 0.7 | 114 | R284 | R284-R287 WeakPolarHBondContact O-CB 3.25Å; R284-R287 WeakPolarHBondContact O-CG 3.25Å; R284-R287 PolarHBondContact O-N 2.92Å; R284-R287 VanDerWaalsContact O-N 3.09Å |
| 288 | D | 96.4 | Very high | 93.6 | Very high | 108 Ų | 108 | 86.3 Ų | 86.3 | 58% | 0.578 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.5 | 18.7 | -177.1 | 65.4 | -37.4 | 0 | 0 | 0 | 112.2 | K105 F286 S290 | K105-D288 IonicContact NZ-OD1 2.6Å; K105-D288 PolarHBondContact NZ-OD1 2.84Å; K105-D288 IonicContact NZ-OD2 3.77Å; K105-D288 PolarHBondContact NZ-OD2 3.26Å; F286-D288 PolarHBondContact O-N 3.25Å; F286-D288 VanDerWaalsContact O-N 3.16Å; D288-S290 PolarHBondContact O-N 3.48Å |
| 289 | V | 97.2 | Very high | 93.4 | Very high | 45 Ų | 45 | 82.8 Ų | 82.8 | 27% | 0.273 | 41% | 0.406 | S | S | . | . | trans | -61.4 | 134.9 | 179.9 | 70.6 | 0 | 0 | 0 | 0 | 110.9 | K105 F109 F286 | K105-V289 HydrophobicContact CD-CB 4.24Å; K105-V289 HydrophobicContact CD-CG2 4.5Å; K105-V289 HydrophobicContact CG-CB 4.23Å; K105-V289 HydrophobicContact CG-CG2 4.02Å; F109-V289 HydrophobicContact CB-CG2 4Å; F109-V289 HydrophobicContact CD1-CG1 4.26Å; F109-V289 HydrophobicContact CD1-CG2 4.3Å; F109-V289 HydrophobicContact CE1-CG1 4.34Å; F109-V289 HydrophobicContact CG-CG1 4.38Å; F109-V289 HydrophobicContact CG-CG2 4.16Å; F286-V289 HydrophobicContact CB-CB 4.41Å; F286-V289 HydrophobicContact CB-CG1 4.41Å; F286-V289 HydrophobicContact CD1-CB 4.49Å; F286-V289 VanDerWaalsContact O-CG1 3.28Å; F286-V289 WeakPolarHBondContact O-CG1 3.33Å; F286-V289 PolarHBondContact O-N 2.65Å; F286-V289 VanDerWaalsContact O-N 3.17Å | ||
| 290 | S | 95.8 | Very high | 93.1 | Very high | 63 Ų | 63 | 82.3 Ų | 82.3 | 44% | 0.441 | 40% | 0.401 | S | S | . | . | trans | -129.8 | 174.7 | 174.8 | 57.1 | 0 | 0 | 0 | 0 | 109.8 | S106 D288 P292 | S106-S290 VanDerWaalsContact CB-O 3.25Å; S106-S290 WeakPolarHBondContact CB-O 3.32Å; S106-S290 PolarHBondContact OG-O 3.08Å; D288-S290 PolarHBondContact O-N 3.48Å; S290-P292 WeakPolarHBondContact O-CD 3.32Å | ||
| 291 | M | 95.1 | Very high | 92.8 | Very high | 103 Ų | 103 | 86.8 Ų | 86.8 | 51% | 0.507 | 42% | 0.424 | S | S | . | . | trans | -112.4 | 72.5 | 178.4 | -73.3 | -70.4 | -62.8 | 0 | 0 | 110.7 | S106 Q110 G139 | S106-M291 PolarHBondContact OG-SD 3Å; Q110-M291 HydrophobicContact CG-SD 4.17Å; Q110-M291 PolarHBondContact NE2-SD 3.26Å; G139-M291 WeakPolarHBondContact O-CE 3.26Å | ||
| 292 | P | 95 | Very high | 92.4 | Very high | 38 Ų | 38 | 89.6 Ų | 89.6 | 25% | 0.247 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 149.7 | 177.7 | 30.5 | -34.2 | 0 | 0 | 0 | 111.3 | P102 L103 S290 | P102-P292 HydrophobicContact CB-CG 4.18Å; L103-P292 HydrophobicContact CB-CG 3.96Å; L103-P292 HydrophobicContact CD1-CG 4.05Å; S290-P292 WeakPolarHBondContact O-CD 3.32Å |
| 293 | V | 92.9 | Very high | 92.1 | Very high | 97 Ų | 97 | 87.4 Ų | 87.4 | 59% | 0.588 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -84.2 | 130.3 | 177.9 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | A137 | A137-V293 VanDerWaalsContact O-CG1 3.26Å; A137-V293 WeakPolarHBondContact O-CG1 3.45Å |
| 294 | P | 90.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 91.9 Ų | 91.9 | 5% | 0.045 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -77 | 148.2 | 175.9 | 30.7 | -35.5 | 0 | 0 | 0 | 111.5 | F90 L103 N136 L296 | F90-P294 HydrophobicContact CE2-CB 4.1Å; F90-P294 HydrophobicContact CZ-CB 3.97Å; L103-P294 HydrophobicContact CD2-CB 3.84Å; N136-P294 WeakPolarHBondContact O-CG 3.38Å; P294-L296 HydrophobicContact CB-CD2 4.12Å; P294-L296 HydrophobicContact CB-CG 4.29Å; P294-L296 HydrophobicContact CG-CD1 4.46Å; P294-L296 HydrophobicContact CG-CD2 4.25Å; P294-L296 HydrophobicContact CG-CG 4.04Å; P294-L296 PolarHBondContact O-N 2.92Å; P294-L296 VanDerWaalsContact O-N 3.12Å |
| 295 | H | 85.1 | Confident | 91.1 | Very high | 181 Ų | 181 | 92 Ų | 92 | 84% | 0.838 | 45% | 0.445 | S | S | * | . | trans | -81.3 | 87.5 | 167.4 | -68.2 | -53.6 | 0 | 0 | 0 | 110.4 | ||||
| 296 | L | 84.1 | Confident | 90.6 | Very high | 28 Ų | 28 | 99 Ų | 99 | 15% | 0.147 | 48% | 0.478 | C | S | . | . | trans | -86.8 | 134.4 | 172.1 | -57.4 | -172.7 | 0 | 0 | 0 | 110.7 | H84 F90 I135 N136 A137 P294 L298 | H84-L296 HydrophobicContact CB-CD1 4.46Å; F90-L296 HydrophobicContact CD2-CD2 3.53Å; F90-L296 HydrophobicContact CE2-CD2 3.69Å; I135-L296 HydrophobicContact CD1-CD2 3.69Å; I135-L296 HydrophobicContact CG1-CD2 4.41Å; N136-L296 WeakPolarHBondContact O-CD1 3.05Å; A137-L296 HydrophobicContact CB-CD1 4.21Å; P294-L296 HydrophobicContact CB-CD2 4.12Å; P294-L296 HydrophobicContact CB-CG 4.29Å; P294-L296 HydrophobicContact CG-CD1 4.46Å; P294-L296 HydrophobicContact CG-CD2 4.25Å; P294-L296 HydrophobicContact CG-CG 4.04Å; P294-L296 PolarHBondContact O-N 2.92Å; P294-L296 VanDerWaalsContact O-N 3.12Å; L296-L298 HydrophobicContact CB-CD2 3.8Å; L296-L298 HydrophobicContact CB-CG 3.94Å; L296-L298 HydrophobicContact CD1-CD2 4.11Å; L296-L298 PolarHBondContact O-N 3.41Å | ||
| 297 | R | 74.2 | Confident | 89.9 | Confident | 242 Ų | 242 | 106.3 Ų | 106.3 | 91% | 0.913 | 51% | 0.514 | S | S | * | . | trans | -94.2 | 90.6 | 168.5 | -63.8 | -177 | -174.1 | 176.4 | 2 | 107.5 | ||||
| 298 | L | 75.6 | Confident | 89.3 | Confident | 151 Ų | 151 | 96.6 Ų | 96.6 | 79% | 0.791 | 49% | 0.488 | S | S | * | . | trans | -87.1 | 0 | -175.7 | -61.6 | -174.9 | 0 | 0 | 0 | 113.2 | H84 A137 L296 | H84-L298 HydrophobicContact CB-CD2 3.41Å; H84-L298 VanDerWaalsContact CB-CD2 3.41Å; A137-L298 HydrophobicContact CB-CD1 4.05Å; L296-L298 HydrophobicContact CB-CD2 3.8Å; L296-L298 HydrophobicContact CB-CG 3.94Å; L296-L298 HydrophobicContact CD1-CD2 4.11Å; L296-L298 PolarHBondContact O-N 3.41Å |
Retrieved 298 of 298 residues in 316 ms
(Link to these results)