| 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 | 33.2 | Very low | 51.3 | Low | 230 Ų | 230 | 131.1 Ų | 131.1 | 100% | 1.133 | 65% | 0.65 | S | S | * | * | 0 | 90.1 | 0 | -73.1 | -177.8 | -160.6 | 0 | 0 | 108.8 | R3 | M1-R3 PolarHBondContact O-N 2.6Š| |||
| 2 | I | 36.2 | Very low | 54.8 | Low | 115 Ų | 115 | 120.4 Ų | 120.4 | 59% | 0.59 | 60% | 0.598 | S | S | * | * | trans | -67 | 108 | 157.9 | -63.8 | 172 | 0 | 0 | 0 | 103.5 | H4 A323 | I2-H4 PolarHBondContact O-N 3.24Å; I2-A323 HydrophobicContact CD1-CB 4.25Å | ||
| 3 | R | 35.2 | Very low | 57.9 | Low | 228 Ų | 228 | 113 Ų | 113 | 86% | 0.86 | 56% | 0.563 | S | S | * | * | trans | -52.3 | 129.9 | 169 | -70.9 | -178.3 | 179.6 | -172.3 | -0.3 | 105.9 | M1 A5 | M1-R3 PolarHBondContact O-N 2.6Å; R3-A5 PolarHBondContact O-N 3.24Å | ||
| 4 | H | 37.2 | Very low | 60.7 | Low | 188 Ų | 188 | 104.9 Ų | 104.9 | 87% | 0.87 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -3.1 | 103.6 | 175.7 | -66.9 | -79.9 | 0 | 0 | 0 | 112.6 | I2 D6 | I2-H4 PolarHBondContact O-N 3.24Å; H4-D6 PolarHBondContact O-N 2.76Å |
| 5 | A | 44.2 | Very low | 63.3 | Low | 64 Ų | 64 | 99.3 Ų | 99.3 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | trans | -51.2 | 109.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | R3 P7 I11 | R3-A5 PolarHBondContact O-N 3.24Å; A5-P7 VanDerWaalsContact O-CD 3.24Å; A5-P7 WeakPolarHBondContact O-CD 3.44Å; A5-P7 VanDerWaalsContact O-N 3.12Å; A5-I11 HydrophobicContact CB-CD1 4.49Å | ||
| 6 | D | 49.4 | Very low | 65.5 | Low | 85 Ų | 85 | 93.1 Ų | 93.1 | 46% | 0.455 | 47% | 0.465 | S | S | . | . | trans | -58.2 | 114.2 | 172.7 | -179.8 | -7 | 0 | 0 | 0 | 106.2 | H4 E8 R9 | H4-D6 PolarHBondContact O-N 2.76Å; D6-E8 PolarHBondContact O-N 3.09Å; D6-E8 PolarHBondContact OD1-N 2.76Å; D6-E8 VanDerWaalsContact OD1-N 3.16Å; D6-R9 HydrophobicContact CB-CB 4.25Å; D6-R9 PolarHBondContact O-N 3.07Å | ||
| 7 | P | 51.4 | Low | 67.4 | Low | 130 Ų | 130 | 87.6 Ų | 87.6 | 84% | 0.844 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -14.6 | -175.2 | 3.7 | -1.7 | 0 | 0 | 0 | 112.9 | A5 | A5-P7 VanDerWaalsContact O-CD 3.24Å; A5-P7 WeakPolarHBondContact O-CD 3.44Å; A5-P7 VanDerWaalsContact O-N 3.12Å |
| 8 | E | 55.3 | Low | 69.2 | Low | 161 Ų | 161 | 82.8 Ų | 82.8 | 75% | 0.752 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -6.1 | 178.1 | -59.3 | -152.6 | 154.3 | 0 | 0 | 114.3 | D6 P10 | D6-E8 PolarHBondContact O-N 3.09Å; D6-E8 PolarHBondContact OD1-N 2.76Å; D6-E8 VanDerWaalsContact OD1-N 3.16Å; E8-P10 WeakPolarHBondContact O-CD 3.15Å |
| 9 | R | 65.3 | Low | 70.7 | Confident | 126 Ų | 126 | 78.5 Ų | 78.5 | 48% | 0.475 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -93.7 | 116.8 | -179.5 | -119.6 | 174.4 | 170.3 | 161.3 | -3.8 | 111.3 | D6 I11 D178 | D6-R9 HydrophobicContact CB-CB 4.25Å; D6-R9 PolarHBondContact O-N 3.07Å; R9-I11 PolarHBondContact O-N 2.96Å; R9-D178 IonicContact CZ-OD1 3.99Å; R9-D178 IonicContact CZ-OD2 3.18Å; R9-D178 IonicContact NE-OD2 2.76Å; R9-D178 PolarHBondContact NE-OD2 3.34Å; R9-D178 IonicContact NH2-OD1 3.19Å; R9-D178 PolarHBondContact NH2-OD1 2.8Å; R9-D178 IonicContact NH2-OD2 2.78Å; R9-D178 PolarHBondContact NH2-OD2 3.15Å |
| 10 | P | 72.7 | Confident | 72.1 | Confident | 35 Ų | 35 | 74.6 Ų | 74.6 | 23% | 0.227 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 123.8 | 178.2 | 27.1 | -32.7 | 0 | 0 | 0 | 109.9 | E8 Y164 I174 | E8-P10 WeakPolarHBondContact O-CD 3.15Å; P10-Y164 HydrophobicContact CB-CD1 3.91Å; P10-Y164 HydrophobicContact CG-CD1 4.49Å; P10-I174 HydrophobicContact CG-CD1 4.39Å; P10-I174 HydrophobicContact CG-CG1 3.97Å |
| 11 | I | 84.7 | Confident | 73.4 | Confident | 80 Ų | 80 | 71 Ų | 71 | 41% | 0.41 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -99.1 | 122.5 | 178 | -55.3 | 177.5 | 0 | 0 | 0 | 108.1 | A5 R9 T13 A361 | A5-I11 HydrophobicContact CB-CD1 4.49Å; R9-I11 PolarHBondContact O-N 2.96Å; I11-T13 HydrophobicContact CB-CG2 4.26Å; I11-T13 HydrophobicContact CG2-CG2 3.71Å; I11-T13 PolarHBondContact O-N 3.43Å; I11-A361 HydrophobicContact CG2-CB 3.52Å |
| 12 | A | 92.6 | Very high | 76.5 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 3% | 0.025 | 30% | 0.301 | C | S | . | . | trans | -70.5 | 113.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109 | V163 Y164 V180 A361 I362 | A12-V163 WeakPolarHBondContact CA-O 3.25Å; A12-V163 HydrophobicContact CB-CB 4.3Å; A12-V163 HydrophobicContact CB-CG2 3.61Å; A12-Y164 HydrophobicContact CB-CD1 3.88Å; A12-Y164 HydrophobicContact CB-CE1 3.59Å; A12-Y164 HydrophobicContact CB-CE2 4.28Å; A12-Y164 HydrophobicContact CB-CG 4.4Å; A12-V180 HydrophobicContact CB-CG2 3.53Å; A12-A361 CarbonylContact O-C 3.55Å; A12-A361 VanDerWaalsContact O-CA 3.32Å; A12-A361 WeakPolarHBondContact O-CA 3.48Å; A12-I362 HydrophobicContact CB-CB 4.16Å; A12-I362 HydrophobicContact CB-CD1 4.19Å; A12-I362 PolarHBondContact O-N 2.89Å | ||
| 13 | T | 95.5 | Very high | 79.3 | Confident | 24 Ų | 24 | 54.7 Ų | 54.7 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 150.1 | -179.3 | 65.3 | 0 | 0 | 0 | 0 | 111.7 | I11 V163 L325 Y360 A361 | I11-T13 HydrophobicContact CB-CG2 4.26Å; I11-T13 HydrophobicContact CG2-CG2 3.71Å; I11-T13 PolarHBondContact O-N 3.43Å; T13-V163 PolarHBondContact N-O 3.18Å; T13-L325 HydrophobicContact CG2-CD1 3.66Å; T13-Y360 VanDerWaalsContact CA-O 3.24Å; T13-Y360 WeakPolarHBondContact CA-O 3.34Å; T13-A361 HydrophobicContact CG2-CB 4.31Å |
| 14 | F | 97.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 161.6 | 171 | 73.3 | -78.1 | 0 | 0 | 0 | 111.2 | D59 V60 F117 L185 L234 L322 Y360 I362 | F14-D59 WeakPolarHBondContact CA-OD2 3.11Å; F14-D59 HydrophobicContact CB-CB 3.99Å; F14-D59 WeakPolarHBondContact CB-OD2 3.45Å; F14-V60 HydrophobicContact CD2-CG2 4.22Å; F14-V60 HydrophobicContact CE2-CG2 4.44Å; F14-F117 HydrophobicContact CB-CE2 4.4Å; F14-F117 HydrophobicContact CB-CZ 3.89Å; F14-F117 HydrophobicContact CD2-CZ 4.12Å; F14-F117 AromaticContact CG-CZ 3.93Å; F14-F117 HydrophobicContact CG-CZ 3.93Å; F14-L185 HydrophobicContact CE1-CD2 4.4Å; F14-L185 HydrophobicContact CE2-CD2 4Å; F14-L185 HydrophobicContact CZ-CD1 4.2Å; F14-L185 HydrophobicContact CZ-CD2 3.88Å; F14-L234 HydrophobicContact CE2-CD1 3.48Å; F14-L234 VanDerWaalsContact CE2-CD1 3.48Å; F14-L234 HydrophobicContact CZ-CD1 3.66Å; F14-L322 HydrophobicContact CE1-CD2 3.77Å; F14-L322 HydrophobicContact CZ-CD1 4.49Å; F14-L322 HydrophobicContact CZ-CD2 4.06Å; F14-Y360 PolarHBondContact N-O 2.8Å; F14-Y360 PolarHBondContact O-N 3.48Å; F14-I362 HydrophobicContact CD1-CD1 3.83Å; F14-I362 HydrophobicContact CD1-CG1 3.77Å; F14-I362 HydrophobicContact CE1-CD1 4.02Å; F14-I362 HydrophobicContact CE1-CG1 3.62Å |
| 15 | T | 98.4 | Very high | 84.9 | Confident | 20 Ų | 20 | 43.3 Ų | 43.3 | 12% | 0.123 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 147.9 | 176.8 | 52.6 | 0 | 0 | 0 | 0 | 112 | A58 D59 V60 M357 A358 Q359 | T15-A58 VanDerWaalsContact OG1-CA 3.28Å; T15-A58 WeakPolarHBondContact OG1-CA 3.1Å; T15-D59 PolarHBondContact N-OD2 2.92Å; T15-D59 WeakPolarHBondContact O-CB 3.47Å; T15-D59 PolarHBondContact O-N 2.93Å; T15-D59 VanDerWaalsContact O-N 3.11Å; T15-D59 PolarHBondContact OG1-N 2.86Å; T15-D59 PolarHBondContact OG1-OD2 2.85Å; T15-V60 PolarHBondContact O-N 2.94Å; T15-M357 HydrophobicContact CG2-CE 3.69Å; T15-A358 CarbonylContact C-O 3.59Å; T15-A358 WeakPolarHBondContact CA-O 3.1Å; T15-Q359 HydrophobicContact CG2-CB 3.98Å; T15-Q359 HydrophobicContact CG2-CG 3.87Å |
| 16 | V | 98.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 130.6 | 175.8 | 58.7 | 0 | 0 | 0 | 0 | 110.3 | V60 L234 I315 M357 A358 Y360 | V16-V60 CarbonylContact C-O 3.53Å; V16-V60 VanDerWaalsContact CA-O 3.27Å; V16-V60 WeakPolarHBondContact CA-O 3.24Å; V16-V60 HydrophobicContact CB-CB 4.42Å; V16-V60 HydrophobicContact CG2-CB 4.3Å; V16-V60 HydrophobicContact CG2-CG1 4.23Å; V16-L234 HydrophobicContact CB-CD1 4.17Å; V16-L234 HydrophobicContact CG1-CD1 4.24Å; V16-L234 HydrophobicContact CG1-CD2 4.42Å; V16-L234 HydrophobicContact CG2-CD1 4.25Å; V16-I315 HydrophobicContact CG1-CD1 4.28Å; V16-I315 HydrophobicContact CG1-CG2 3.86Å; V16-M357 CarbonylContact O-C 3.59Å; V16-M357 WeakPolarHBondContact O-CA 3.36Å; V16-M357 VanDerWaalsContact O-CG 3.28Å; V16-M357 WeakPolarHBondContact O-CG 2.9Å; V16-A358 HydrophobicContact CG1-CB 4.28Å; V16-A358 PolarHBondContact N-O 3.01Å; V16-A358 PolarHBondContact O-N 2.86Å; V16-Y360 HydrophobicContact CG1-CD2 4.01Å; V16-Y360 HydrophobicContact CG1-CE2 3.7Å |
| 17 | L | 98.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 131.7 | 174.4 | -178.4 | 71.8 | 0 | 0 | 0 | 109.4 | I53 Y56 A58 V60 I61 T62 P355 M357 | L17-I53 HydrophobicContact CD2-CG1 4.42Å; L17-Y56 HydrophobicContact CD1-CD2 3.73Å; L17-Y56 HydrophobicContact CD1-CE2 4.21Å; L17-Y56 HydrophobicContact CD1-CG 4.12Å; L17-Y56 HydrophobicContact CD2-CD2 4.04Å; L17-A58 HydrophobicContact CB-CB 3.53Å; L17-V60 PolarHBondContact N-O 2.89Å; L17-I61 HydrophobicContact CB-CG1 4.26Å; L17-I61 HydrophobicContact CB-CG2 4.44Å; L17-I61 HydrophobicContact CD2-CG1 4.28Å; L17-I61 HydrophobicContact CD2-CG2 4.05Å; L17-I61 CarbonylContact O-C 3.48Å; L17-I61 WeakPolarHBondContact O-CA 3.32Å; L17-T62 PolarHBondContact O-N 3.34Å; L17-T62 PolarHBondContact O-OG1 3.05Å; L17-P355 HydrophobicContact CD1-CB 3.78Å; L17-M357 HydrophobicContact CD1-CB 3.96Å; L17-M357 HydrophobicContact CD1-CG 4.43Å |
| 18 | C | 98.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.007 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 127.5 | 170 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | T62 C236 G237 I315 I356 | C18-T62 WeakPolarHBondContact CA-O 3.39Å; C18-T62 WeakPolarHBondContact CA-OG1 3.43Å; C18-C236 HydrophobicContact CB-CB 3.97Å; C18-G237 VanDerWaalsContact SG-CA 3.54Å; C18-G237 PolarHBondContact SG-N 3.08Å; C18-I315 HydrophobicContact CB-CD1 4.18Å; C18-I315 HydrophobicContact CB-CG1 3.82Å; C18-I356 HydrophobicContact CB-CD1 4.21Å; C18-I356 HydrophobicContact CB-CG1 3.79Å; C18-I356 PolarHBondContact N-O 3.35Å; C18-I356 PolarHBondContact O-N 3.14Å |
| 19 | Y | 98.8 | Very high | 93.4 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 118.2 | -174.1 | -173.3 | -156.5 | 0 | 0 | 0 | 113.2 | V21 I49 E52 T62 L63 Q64 S351 H353 P355 | Y19-V21 HydrophobicContact CD1-CG1 3.79Å; Y19-V21 HydrophobicContact CE1-CG1 4.07Å; Y19-V21 HydrophobicContact CG-CG1 4.22Å; Y19-I49 HydrophobicContact CE1-CG2 4.31Å; Y19-E52 VanDerWaalsContact CE1-OE2 3.24Å; Y19-E52 WeakPolarHBondContact CE1-OE2 3.44Å; Y19-E52 PolarHBondContact OH-OE2 2.56Å; Y19-T62 PolarHBondContact N-O 2.89Å; Y19-L63 HydrophobicContact CD1-CD2 4.41Å; Y19-L63 VanDerWaalsContact O-CA 3.26Å; Y19-L63 WeakPolarHBondContact O-CA 3.48Å; Y19-Q64 VanDerWaalsContact C-OE1 3.27Å; Y19-Q64 PolarHBondContact O-N 3.42Å; Y19-Q64 VanDerWaalsContact O-N 3.12Å; Y19-Q64 PolarHBondContact O-OE1 2.82Å; Y19-S351 VanDerWaalsContact OH-CB 3.29Å; Y19-S351 WeakPolarHBondContact OH-CB 3.44Å; Y19-H353 WeakPolarHBondContact CE2-O 3.4Å; Y19-P355 HydrophobicContact CD1-CB 4.34Å; Y19-P355 HydrophobicContact CD2-CB 3.98Å; Y19-P355 HydrophobicContact CD2-CG 4.47Å; Y19-P355 HydrophobicContact CE2-CB 4.48Å; Y19-P355 HydrophobicContact CE2-CG 4.49Å; Y19-P355 HydrophobicContact CG-CB 3.91Å |
| 20 | N | 98.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 118.4 | 163.2 | -178.3 | -19.1 | 0 | 0 | 0 | 108.8 | L22 Q64 E65 D238 S351 H353 | N20-L22 PolarHBondContact OD1-N 2.71Å; N20-L22 VanDerWaalsContact OD1-N 3.07Å; N20-Q64 HydrophobicContact CB-CB 4.08Å; N20-E65 PolarHBondContact ND2-OE1 2.89Å; N20-E65 VanDerWaalsContact OD1-CB 3.3Å; N20-E65 WeakPolarHBondContact OD1-CB 3.33Å; N20-E65 WeakPolarHBondContact OD1-CG 3.29Å; N20-E65 PolarHBondContact OD1-OE1 3.37Å; N20-D238 PolarHBondContact ND2-OD2 2.79Å; N20-S351 WeakPolarHBondContact O-CB 3.38Å; N20-S351 PolarHBondContact O-OG 3.44Å; N20-H353 HydrophobicContact CB-CB 4.01Å |
| 21 | V | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -90.4 | 0.5 | -170.9 | -57.7 | 0 | 0 | 0 | 0 | 114.4 | Y19 R45 I49 L63 Q64 E65 V66 F75 | Y19-V21 HydrophobicContact CD1-CG1 3.79Å; Y19-V21 HydrophobicContact CE1-CG1 4.07Å; Y19-V21 HydrophobicContact CG-CG1 4.22Å; V21-R45 PolarHBondContact O-NH1 3.37Å; V21-I49 HydrophobicContact CB-CD1 4.23Å; V21-I49 HydrophobicContact CB-CG2 4.2Å; V21-I49 HydrophobicContact CG1-CG2 3.92Å; V21-L63 HydrophobicContact CG1-CD1 4.36Å; V21-L63 HydrophobicContact CG1-CD2 4.03Å; V21-Q64 WeakPolarHBondContact CG2-O 3.28Å; V21-Q64 PolarHBondContact N-O 3.46Å; V21-Q64 VanDerWaalsContact N-O 3.1Å; V21-E65 WeakPolarHBondContact CG2-O 3.46Å; V21-V66 HydrophobicContact CG2-CG2 4.26Å; V21-F75 HydrophobicContact CG2-CZ 4.1Å | ||
| 22 | L | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | trans | 53.7 | 100.1 | -172.3 | 179.8 | 64.2 | 0 | 0 | 0 | 112.4 | N20 A27 Y32 R45 E65 P345 | N20-L22 PolarHBondContact OD1-N 2.71Å; N20-L22 VanDerWaalsContact OD1-N 3.07Å; L22-A27 HydrophobicContact CD2-CB 4.05Å; L22-A27 HydrophobicContact CG-CB 4.18Å; L22-Y32 HydrophobicContact CD1-CE2 4.1Å; L22-Y32 WeakPolarHBondContact CD1-OH 3.47Å; L22-Y32 HydrophobicContact CD2-CE2 3.93Å; L22-R45 VanDerWaalsContact O-CZ 3.31Å; L22-R45 PolarHBondContact O-NH1 3Å; L22-R45 PolarHBondContact O-NH2 2.98Å; L22-E65 WeakPolarHBondContact CA-OE2 3.37Å; L22-P345 HydrophobicContact CD2-CG 3.33Å | ||
| 23 | C | 96.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.007 | 20% | 0.202 | C | C | . | . | trans | -62.7 | 155.8 | 179.1 | 65 | 0 | 0 | 0 | 0 | 111.8 | K25 Y26 A27 E65 E67 D106 | C23-K25 PolarHBondContact O-N 3.03Å; C23-Y26 PolarHBondContact O-N 3.16Å; C23-Y26 WeakPolarHBondContact SG-CD2 3.45Å; C23-Y26 VanDerWaalsContact SG-CG 3.57Å; C23-A27 PolarHBondContact O-N 3.37Å; C23-E65 HydrophobicContact CB-CB 4.05Å; C23-E65 WeakPolarHBondContact CB-O 3.2Å; C23-E65 PolarHBondContact N-OE2 3.25Å; C23-E65 PolarHBondContact SG-OE2 3.22Å; C23-E65 VanDerWaalsContact SG-OE2 3.39Å; C23-E67 HydrophobicContact CB-CG 3.75Å; C23-D106 HydrophobicContact CB-CB 4.07Å | ||
| 24 | D | 95.6 | Very high | 96.4 | Very high | 70 Ų | 70 | 38.9 Ų | 38.9 | 37% | 0.374 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -36.1 | -178 | -170.2 | 50.4 | 0 | 0 | 0 | 111.2 | Y26 A27 W42 E67 | D24-Y26 PolarHBondContact O-N 3.39Å; D24-Y26 VanDerWaalsContact O-N 3.16Å; D24-A27 PolarHBondContact O-N 3.34Å; D24-A27 VanDerWaalsContact O-N 3.16Å; D24-W42 HydrophobicContact CB-CB 4.04Å; D24-W42 HydrophobicContact CB-CD2 4.4Å; D24-W42 HydrophobicContact CB-CE3 4.3Å; D24-W42 HydrophobicContact CB-CG 4.32Å; D24-W42 WeakPolarHBondContact OD1-CB 3.4Å; D24-E67 WeakPolarHBondContact CB-OE1 3.34Å; D24-E67 PolarHBondContact N-OE1 3.01Å |
| 25 | K | 93.6 | Very high | 96.3 | Very high | 108 Ų | 108 | 39.1 Ų | 39.1 | 47% | 0.47 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -34.2 | 176.8 | -172.8 | 172.1 | -175.8 | 171.7 | 0 | 114.2 | C23 E67 | C23-K25 PolarHBondContact O-N 3.03Å; K25-E67 PolarHBondContact N-OE1 2.73Å |
| 26 | Y | 93.7 | Very high | 96.3 | Very high | 73 Ų | 73 | 40.7 Ų | 40.7 | 29% | 0.286 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -16.2 | -178.9 | -59.7 | -31.1 | 0 | 0 | 0 | 113.2 | C23 D24 T28 Q31 Y32 E65 | C23-Y26 PolarHBondContact O-N 3.16Å; C23-Y26 WeakPolarHBondContact SG-CD2 3.45Å; C23-Y26 VanDerWaalsContact SG-CG 3.57Å; D24-Y26 PolarHBondContact O-N 3.39Å; D24-Y26 VanDerWaalsContact O-N 3.16Å; Y26-T28 PolarHBondContact O-N 3.07Å; Y26-Q31 PolarHBondContact O-OE1 3.33Å; Y26-Y32 WeakPolarHBondContact O-CE2 3.47Å; Y26-E65 WeakPolarHBondContact CD2-OE2 3.29Å |
| 27 | A | 95.8 | Very high | 96.2 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | trans | -73.7 | 56.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L22 C23 D24 | L22-A27 HydrophobicContact CD2-CB 4.05Å; L22-A27 HydrophobicContact CG-CB 4.18Å; C23-A27 PolarHBondContact O-N 3.37Å; D24-A27 PolarHBondContact O-N 3.34Å; D24-A27 VanDerWaalsContact O-N 3.16Å | ||
| 28 | T | 95.1 | Very high | 96.1 | Very high | 59 Ų | 59 | 51.2 Ų | 51.2 | 36% | 0.362 | 27% | 0.268 | S | S | . | . | trans | -92 | 150.4 | -175.4 | 73.1 | 0 | 0 | 0 | 0 | 112.8 | Y26 N30 Q31 Y32 | Y26-T28 PolarHBondContact O-N 3.07Å; T28-N30 PolarHBondContact O-N 2.73Å; T28-Q31 PolarHBondContact O-N 3Å; T28-Q31 PolarHBondContact OG1-N 3.47Å; T28-Y32 PolarHBondContact O-N 3.28Å | ||
| 29 | V | 92.9 | Very high | 96.1 | Very high | 73 Ų | 73 | 51.2 Ų | 51.2 | 44% | 0.442 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.1 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 112.1 | Y32 S33 L40 | V29-Y32 CarbonylContact O-C 3.54Å; V29-S33 WeakPolarHBondContact O-CA 3.19Å; V29-S33 WeakPolarHBondContact O-CB 3.28Å; V29-S33 PolarHBondContact O-N 2.79Å; V29-S33 VanDerWaalsContact O-N 3.09Å; V29-L40 HydrophobicContact CG2-CD1 4.2Å |
| 30 | N | 92.7 | Very high | 96 | Very high | 156 Ų | 156 | 51.4 Ų | 51.4 | 83% | 0.834 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -42 | 177.1 | -69.8 | -11.2 | 0 | 0 | 0 | 111.6 | T28 | T28-N30 PolarHBondContact O-N 2.73Š|
| 31 | Q | 93 | Very high | 95.9 | Very high | 105 Ų | 105 | 55.3 Ų | 55.3 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -35.1 | 179.8 | -172.8 | 167.6 | -4.8 | 0 | 0 | 112.1 | Y26 T28 | Y26-Q31 PolarHBondContact O-OE1 3.33Å; T28-Q31 PolarHBondContact O-N 3Å; T28-Q31 PolarHBondContact OG1-N 3.47Å |
| 32 | Y | 96.7 | Very high | 95.9 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | trans | -119.4 | 51.8 | -175.9 | -54.6 | -77.3 | 0 | 0 | 0 | 111.5 | L22 Y26 T28 V29 Y34 C35 L40 T305 P345 D352 | L22-Y32 HydrophobicContact CD1-CE2 4.1Å; L22-Y32 WeakPolarHBondContact CD1-OH 3.47Å; L22-Y32 HydrophobicContact CD2-CE2 3.93Å; Y26-Y32 WeakPolarHBondContact O-CE2 3.47Å; T28-Y32 PolarHBondContact O-N 3.28Å; V29-Y32 CarbonylContact O-C 3.54Å; Y32-Y34 HydrophobicContact CD1-CE2 4.44Å; Y32-Y34 AromaticContact CD1-CZ 3.92Å; Y32-Y34 WeakPolarHBondContact CD1-OH 3.25Å; Y32-Y34 PolarHBondContact O-N 3Å; Y32-Y34 VanDerWaalsContact O-N 3.09Å; Y32-C35 PolarHBondContact O-N 3.44Å; Y32-L40 HydrophobicContact CD2-CD2 4.25Å; Y32-L40 HydrophobicContact CG-CD2 4.15Å; Y32-T305 HydrophobicContact CE1-CG2 4.02Å; Y32-P345 HydrophobicContact CD1-CG 4.41Å; Y32-D352 HydrophobicContact CE1-CB 3.74Å; Y32-D352 PolarHBondContact OH-OD2 2.71Å | ||
| 33 | S | 95.9 | Very high | 95.9 | Very high | 86 Ų | 86 | 61.6 Ų | 61.6 | 60% | 0.601 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20 | -174.6 | 60.9 | 0 | 0 | 0 | 0 | 114.8 | V29 | V29-S33 WeakPolarHBondContact O-CA 3.19Å; V29-S33 WeakPolarHBondContact O-CB 3.28Å; V29-S33 PolarHBondContact O-N 2.79Å; V29-S33 VanDerWaalsContact O-N 3.09Å |
| 34 | Y | 95.8 | Very high | 96 | Very high | 50 Ų | 50 | 65.5 Ų | 65.5 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -14.1 | 174.1 | 49.4 | -92.4 | 0 | 0 | 0 | 113.7 | Y32 T305 L306 G343 F344 | Y32-Y34 HydrophobicContact CD1-CE2 4.44Å; Y32-Y34 AromaticContact CD1-CZ 3.92Å; Y32-Y34 WeakPolarHBondContact CD1-OH 3.25Å; Y32-Y34 PolarHBondContact O-N 3Å; Y32-Y34 VanDerWaalsContact O-N 3.09Å; Y34-T305 WeakPolarHBondContact OH-CA 3.37Å; Y34-T305 WeakPolarHBondContact OH-CB 3.49Å; Y34-L306 HydrophobicContact CD1-CB 3.73Å; Y34-L306 HydrophobicContact CD1-CD2 4.15Å; Y34-L306 HydrophobicContact CD1-CG 4.47Å; Y34-L306 HydrophobicContact CE1-CB 3.41Å; Y34-L306 VanDerWaalsContact CE1-CB 3.41Å; Y34-L306 PolarHBondContact OH-N 3.08Å; Y34-G343 VanDerWaalsContact CE2-C 3.4Å; Y34-F344 PolarHBondContact OH-O 2.91Å |
| 35 | C | 97.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -97.7 | 126.4 | 179.5 | -169.8 | 0 | 0 | 0 | 0 | 110.3 | Y32 S37 L40 P345 | Y32-C35 PolarHBondContact O-N 3.44Å; C35-S37 PolarHBondContact O-N 2.78Å; C35-L40 HydrophobicContact CB-CD1 4.18Å; C35-L40 HydrophobicContact CB-CD2 3.79Å; C35-L40 HydrophobicContact CB-CG 3.81Å; C35-P345 WeakPolarHBondContact CB-O 3.26Å; C35-P345 PolarHBondContact SG-O 2.95Å; C35-P345 VanDerWaalsContact SG-O 3.39Å |
| 36 | P | 97.1 | Very high | 96.3 | Very high | 52 Ų | 52 | 59.2 Ų | 59.2 | 34% | 0.338 | 30% | 0.304 | S | S | . | . | trans | -57.1 | 139.2 | 176.3 | -24.6 | 33.6 | 0 | 0 | 0 | 112.2 | W38 A39 L40 P347 | P36-W38 HydrophobicContact CB-CD2 4.4Å; P36-W38 HydrophobicContact CB-CG 4.26Å; P36-W38 HydrophobicContact CB-CZ2 4.44Å; P36-W38 HydrophobicContact CG-CZ2 4.48Å; P36-W38 PolarHBondContact O-N 2.92Å; P36-W38 VanDerWaalsContact O-N 3.07Å; P36-A39 HydrophobicContact CB-CB 4.48Å; P36-A39 WeakPolarHBondContact O-CA 3.28Å; P36-A39 WeakPolarHBondContact O-CB 3.35Å; P36-A39 PolarHBondContact O-N 2.94Å; P36-L40 PolarHBondContact O-N 3.34Å; P36-P347 HydrophobicContact CG-CG 4.47Å | ||
| 37 | S | 96.9 | Very high | 96.5 | Very high | 76 Ų | 76 | 57.9 Ų | 57.9 | 53% | 0.531 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.2 | -31.1 | -176.2 | -48.8 | 0 | 0 | 0 | 0 | 114 | C35 A39 L40 N41 | C35-S37 PolarHBondContact O-N 2.78Å; S37-A39 VanDerWaalsContact C-N 3.31Å; S37-A39 PolarHBondContact O-N 3.02Å; S37-L40 PolarHBondContact O-N 3.19Å; S37-N41 PolarHBondContact O-N 2.76Å |
| 38 | W | 97.6 | Very high | 96.6 | Very high | 146 Ų | 146 | 59.5 Ų | 59.5 | 55% | 0.553 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -68.7 | -29.6 | 175.4 | 65.2 | -100.2 | 0 | 0 | 0 | 112.9 | P36 Y44 P347 | P36-W38 HydrophobicContact CB-CD2 4.4Å; P36-W38 HydrophobicContact CB-CG 4.26Å; P36-W38 HydrophobicContact CB-CZ2 4.44Å; P36-W38 HydrophobicContact CG-CZ2 4.48Å; P36-W38 PolarHBondContact O-N 2.92Å; P36-W38 VanDerWaalsContact O-N 3.07Å; W38-Y44 HydrophobicContact CE3-CD2 4.28Å; W38-Y44 HydrophobicContact CE3-CE1 4.47Å; W38-Y44 HydrophobicContact CE3-CE2 4.24Å; W38-Y44 HydrophobicContact CE3-CG 4.42Å; W38-Y44 HydrophobicContact CZ3-CD1 4.41Å; W38-Y44 HydrophobicContact CZ3-CD2 4.24Å; W38-Y44 AromaticContact CZ3-CE1 3.93Å; W38-Y44 HydrophobicContact CZ3-CE1 3.93Å; W38-Y44 AromaticContact CZ3-CE2 3.74Å; W38-Y44 HydrophobicContact CZ3-CE2 3.74Å; W38-Y44 AromaticContact CZ3-CZ 3.58Å; W38-Y44 VanDerWaalsContact O-CB 3.31Å; W38-Y44 WeakPolarHBondContact O-CB 3.48Å; W38-P347 HydrophobicContact CH2-CB 3.7Å; W38-P347 HydrophobicContact CH2-CG 3.83Å; W38-P347 HydrophobicContact CZ2-CB 4.31Å; W38-P347 HydrophobicContact CZ2-CG 3.94Å; W38-P347 HydrophobicContact CZ3-CB 4.44Å |
| 39 | A | 97.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.008 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -83.9 | -26.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P36 S37 Y44 R45 P347 | P36-A39 HydrophobicContact CB-CB 4.48Å; P36-A39 WeakPolarHBondContact O-CA 3.28Å; P36-A39 WeakPolarHBondContact O-CB 3.35Å; P36-A39 PolarHBondContact O-N 2.94Å; S37-A39 VanDerWaalsContact C-N 3.31Å; S37-A39 PolarHBondContact O-N 3.02Å; A39-Y44 HydrophobicContact CB-CD1 4.37Å; A39-Y44 HydrophobicContact CB-CE1 4.33Å; A39-R45 WeakPolarHBondContact O-CD 3.11Å; A39-R45 WeakPolarHBondContact O-CG 3.29Å; A39-P347 HydrophobicContact CB-CG 4.05Å |
| 40 | L | 97.3 | Very high | 97 | Very high | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74 | -30.2 | 170.4 | -72.3 | 175.3 | 0 | 0 | 0 | 113 | V29 Y32 C35 P36 S37 W42 R45 P345 | V29-L40 HydrophobicContact CG2-CD1 4.2Å; Y32-L40 HydrophobicContact CD2-CD2 4.25Å; Y32-L40 HydrophobicContact CG-CD2 4.15Å; C35-L40 HydrophobicContact CB-CD1 4.18Å; C35-L40 HydrophobicContact CB-CD2 3.79Å; C35-L40 HydrophobicContact CB-CG 3.81Å; P36-L40 PolarHBondContact O-N 3.34Å; S37-L40 PolarHBondContact O-N 3.19Å; L40-W42 PolarHBondContact O-N 3Å; L40-R45 VanDerWaalsContact O-CD 3.31Å; L40-R45 WeakPolarHBondContact O-CD 3.37Å; L40-R45 PolarHBondContact O-NE 3.49Å; L40-P345 HydrophobicContact CD2-CB 4.25Å; L40-P345 HydrophobicContact CD2-CG 3.97Å |
| 41 | N | 98 | Very high | 97.3 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 43% | 0.433 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -53.2 | 129.4 | -177.7 | -174.6 | -78.2 | 0 | 0 | 0 | 111.8 | S37 E43 Y44 R45 | S37-N41 PolarHBondContact O-N 2.76Å; N41-E43 VanDerWaalsContact C-N 3.26Å; N41-E43 PolarHBondContact O-N 2.96Å; N41-E43 VanDerWaalsContact OD1-CB 3.23Å; N41-E43 WeakPolarHBondContact OD1-CB 3.24Å; N41-E43 PolarHBondContact OD1-N 2.97Å; N41-Y44 WeakPolarHBondContact O-CB 3.34Å; N41-Y44 PolarHBondContact O-N 3.23Å; N41-R45 PolarHBondContact O-N 3.47Å |
| 42 | W | 98.1 | Very high | 97.4 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 5% | 0.049 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -53 | -39.3 | -179.3 | -178.8 | -112.9 | 0 | 0 | 0 | 114.2 | D24 L40 Y44 R45 K46 I49 Q70 L74 F75 | D24-W42 HydrophobicContact CB-CB 4.04Å; D24-W42 HydrophobicContact CB-CD2 4.4Å; D24-W42 HydrophobicContact CB-CE3 4.3Å; D24-W42 HydrophobicContact CB-CG 4.32Å; D24-W42 WeakPolarHBondContact OD1-CB 3.4Å; L40-W42 PolarHBondContact O-N 3Å; W42-Y44 PolarHBondContact O-N 2.9Å; W42-R45 PolarHBondContact O-N 2.67Å; W42-K46 HydrophobicContact CD2-CB 4.1Å; W42-K46 HydrophobicContact CH2-CB 4.35Å; W42-K46 HydrophobicContact CZ2-CB 3.84Å; W42-K46 VanDerWaalsContact O-CB 3.23Å; W42-K46 WeakPolarHBondContact O-CB 3.4Å; W42-K46 VanDerWaalsContact O-CG 3.26Å; W42-K46 WeakPolarHBondContact O-CG 3.18Å; W42-K46 PolarHBondContact O-N 3.42Å; W42-I49 HydrophobicContact CH2-CD1 4.19Å; W42-I49 HydrophobicContact CZ3-CD1 3.86Å; W42-Q70 HydrophobicContact CZ2-CB 3.91Å; W42-Q70 HydrophobicContact CZ2-CG 3.59Å; W42-L74 HydrophobicContact CZ2-CD2 3.8Å; W42-F75 HydrophobicContact CH2-CE2 4.15Å; W42-F75 HydrophobicContact CH2-CZ 4.13Å; W42-F75 HydrophobicContact CZ2-CE2 4.3Å |
| 43 | E | 97.8 | Very high | 97.4 | Very high | 121 Ų | 121 | 49.5 Ų | 49.5 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.1 | -29.5 | -179.1 | -62.8 | -61.3 | 111.3 | 0 | 0 | 112.3 | N41 K46 | N41-E43 VanDerWaalsContact C-N 3.26Å; N41-E43 PolarHBondContact O-N 2.96Å; N41-E43 VanDerWaalsContact OD1-CB 3.23Å; N41-E43 WeakPolarHBondContact OD1-CB 3.24Å; N41-E43 PolarHBondContact OD1-N 2.97Å; E43-K46 IonicContact OE1-NZ 2.57Å; E43-K46 PolarHBondContact OE1-NZ 2.74Å; E43-K46 VanDerWaalsContact OE2-CE 3.31Å; E43-K46 WeakPolarHBondContact OE2-CE 3.3Å; E43-K46 IonicContact OE2-NZ 2.72Å; E43-K46 PolarHBondContact OE2-NZ 2.99Å |
| 44 | Y | 97.9 | Very high | 97.5 | Very high | 82 Ų | 82 | 50.6 Ų | 50.6 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -80.4 | -53.4 | 172.3 | -177 | -97.2 | 0 | 0 | 0 | 111.6 | W38 A39 N41 W42 K46 G47 L48 P347 | W38-Y44 HydrophobicContact CE3-CD2 4.28Å; W38-Y44 HydrophobicContact CE3-CE1 4.47Å; W38-Y44 HydrophobicContact CE3-CE2 4.24Å; W38-Y44 HydrophobicContact CE3-CG 4.42Å; W38-Y44 HydrophobicContact CZ3-CD1 4.41Å; W38-Y44 HydrophobicContact CZ3-CD2 4.24Å; W38-Y44 AromaticContact CZ3-CE1 3.93Å; W38-Y44 HydrophobicContact CZ3-CE1 3.93Å; W38-Y44 AromaticContact CZ3-CE2 3.74Å; W38-Y44 HydrophobicContact CZ3-CE2 3.74Å; W38-Y44 AromaticContact CZ3-CZ 3.58Å; W38-Y44 VanDerWaalsContact O-CB 3.31Å; W38-Y44 WeakPolarHBondContact O-CB 3.48Å; A39-Y44 HydrophobicContact CB-CD1 4.37Å; A39-Y44 HydrophobicContact CB-CE1 4.33Å; N41-Y44 WeakPolarHBondContact O-CB 3.34Å; N41-Y44 PolarHBondContact O-N 3.23Å; W42-Y44 PolarHBondContact O-N 2.9Å; Y44-K46 PolarHBondContact O-N 2.82Å; Y44-G47 PolarHBondContact O-N 2.84Å; Y44-L48 HydrophobicContact CD1-CD1 4.22Å; Y44-L48 HydrophobicContact CE1-CD1 3.52Å; Y44-L48 HydrophobicContact CE1-CG 4.39Å; Y44-P347 PolarHBondContact OH-O 2.79Å |
| 45 | R | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | -174.3 | -65.4 | -166.9 | -53.3 | 109.5 | -4.1 | 112.6 | V21 L22 A39 L40 N41 W42 G47 L48 I49 A350 | V21-R45 PolarHBondContact O-NH1 3.37Å; L22-R45 VanDerWaalsContact O-CZ 3.31Å; L22-R45 PolarHBondContact O-NH1 3Å; L22-R45 PolarHBondContact O-NH2 2.98Å; A39-R45 WeakPolarHBondContact O-CD 3.11Å; A39-R45 WeakPolarHBondContact O-CG 3.29Å; L40-R45 VanDerWaalsContact O-CD 3.31Å; L40-R45 WeakPolarHBondContact O-CD 3.37Å; L40-R45 PolarHBondContact O-NE 3.49Å; N41-R45 PolarHBondContact O-N 3.47Å; W42-R45 PolarHBondContact O-N 2.67Å; R45-G47 PolarHBondContact O-N 2.84Å; R45-L48 WeakPolarHBondContact O-CB 3.46Å; R45-L48 PolarHBondContact O-N 2.75Å; R45-I49 HydrophobicContact CB-CD1 4.26Å; R45-I49 WeakPolarHBondContact O-CG1 3.44Å; R45-I49 PolarHBondContact O-N 2.7Å; R45-A350 HydrophobicContact CB-CB 4.29Å; R45-A350 VanDerWaalsContact CD-O 3.29Å; R45-A350 WeakPolarHBondContact CD-O 3.29Å; R45-A350 PolarHBondContact NH1-O 2.06Å |
| 46 | K | 97.9 | Very high | 97.5 | Very high | 47 Ų | 47 | 55.5 Ų | 55.5 | 20% | 0.204 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58 | -35.8 | -176.7 | 78 | -174.5 | -176.8 | -175.3 | 0 | 112.8 | W42 E43 Y44 I49 I50 L74 | W42-K46 HydrophobicContact CD2-CB 4.1Å; W42-K46 HydrophobicContact CH2-CB 4.35Å; W42-K46 HydrophobicContact CZ2-CB 3.84Å; W42-K46 VanDerWaalsContact O-CB 3.23Å; W42-K46 WeakPolarHBondContact O-CB 3.4Å; W42-K46 VanDerWaalsContact O-CG 3.26Å; W42-K46 WeakPolarHBondContact O-CG 3.18Å; W42-K46 PolarHBondContact O-N 3.42Å; E43-K46 IonicContact OE1-NZ 2.57Å; E43-K46 PolarHBondContact OE1-NZ 2.74Å; E43-K46 VanDerWaalsContact OE2-CE 3.31Å; E43-K46 WeakPolarHBondContact OE2-CE 3.3Å; E43-K46 IonicContact OE2-NZ 2.72Å; E43-K46 PolarHBondContact OE2-NZ 2.99Å; Y44-K46 PolarHBondContact O-N 2.82Å; K46-I49 PolarHBondContact O-N 3.07Å; K46-I50 WeakPolarHBondContact O-CB 3.06Å; K46-I50 WeakPolarHBondContact O-CG1 3.34Å; K46-I50 PolarHBondContact O-N 2.79Å; K46-L74 HydrophobicContact CB-CD2 3.74Å; K46-L74 HydrophobicContact CD-CD1 4.45Å; K46-L74 HydrophobicContact CD-CD2 4.38Å; K46-L74 HydrophobicContact CG-CD2 4.41Å |
| 47 | G | 97.4 | Very high | 97.4 | Very high | 44 Ų | 44 | 59.6 Ų | 59.6 | 45% | 0.454 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y44 R45 K51 | Y44-G47 PolarHBondContact O-N 2.84Å; R45-G47 PolarHBondContact O-N 2.84Å; G47-K51 VanDerWaalsContact O-CB 3.3Å; G47-K51 WeakPolarHBondContact O-CB 3.35Å; G47-K51 PolarHBondContact O-N 3.46Å |
| 48 | L | 98 | Very high | 97.5 | Very high | 44 Ų | 44 | 56 Ų | 56 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.8 | -43.2 | 175.9 | -65.9 | -178.5 | 0 | 0 | 0 | 112 | Y44 R45 I50 K51 E52 A350 | Y44-L48 HydrophobicContact CD1-CD1 4.22Å; Y44-L48 HydrophobicContact CE1-CD1 3.52Å; Y44-L48 HydrophobicContact CE1-CG 4.39Å; R45-L48 WeakPolarHBondContact O-CB 3.46Å; R45-L48 PolarHBondContact O-N 2.75Å; L48-I50 PolarHBondContact O-N 2.74Å; L48-K51 WeakPolarHBondContact O-CB 3.34Å; L48-K51 PolarHBondContact O-N 3.45Å; L48-E52 WeakPolarHBondContact O-CB 3.26Å; L48-E52 PolarHBondContact O-N 2.57Å; L48-A350 HydrophobicContact CB-CB 3.57Å; L48-A350 HydrophobicContact CD1-CB 4.19Å |
| 49 | I | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.9 | -48.9 | 176.9 | -67.3 | 161.9 | 0 | 0 | 0 | 110.4 | Y19 V21 W42 R45 K46 K51 E52 I53 F75 A350 | Y19-I49 HydrophobicContact CE1-CG2 4.31Å; V21-I49 HydrophobicContact CB-CD1 4.23Å; V21-I49 HydrophobicContact CB-CG2 4.2Å; V21-I49 HydrophobicContact CG1-CG2 3.92Å; W42-I49 HydrophobicContact CH2-CD1 4.19Å; W42-I49 HydrophobicContact CZ3-CD1 3.86Å; R45-I49 HydrophobicContact CB-CD1 4.26Å; R45-I49 WeakPolarHBondContact O-CG1 3.44Å; R45-I49 PolarHBondContact O-N 2.7Å; K46-I49 PolarHBondContact O-N 3.07Å; I49-K51 VanDerWaalsContact C-N 3.35Å; I49-K51 PolarHBondContact O-N 3.34Å; I49-E52 PolarHBondContact O-N 3.49Å; I49-I53 HydrophobicContact CG2-CD1 3.89Å; I49-I53 WeakPolarHBondContact O-CG1 3.44Å; I49-I53 PolarHBondContact O-N 2.62Å; I49-F75 HydrophobicContact CG2-CE1 3.88Å; I49-F75 HydrophobicContact CG2-CZ 4.21Å; I49-A350 HydrophobicContact CD1-CB 4.42Å; I49-A350 HydrophobicContact CG1-CB 3.67Å |
| 50 | I | 98.3 | Very high | 97.6 | Very high | 10 Ų | 10 | 49.7 Ų | 49.7 | 5% | 0.051 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.9 | -39.4 | 178.1 | -68.1 | -63.1 | 0 | 0 | 0 | 111.4 | K46 L48 E52 R54 L74 F75 E78 | K46-I50 WeakPolarHBondContact O-CB 3.06Å; K46-I50 WeakPolarHBondContact O-CG1 3.34Å; K46-I50 PolarHBondContact O-N 2.79Å; L48-I50 PolarHBondContact O-N 2.74Å; I50-E52 VanDerWaalsContact C-N 3.33Å; I50-E52 PolarHBondContact O-N 2.86Å; I50-R54 HydrophobicContact CG2-CG 4.37Å; I50-R54 VanDerWaalsContact CG2-NE 3.33Å; I50-R54 VanDerWaalsContact O-CB 3.3Å; I50-R54 WeakPolarHBondContact O-CB 3.31Å; I50-R54 WeakPolarHBondContact O-CD 3.5Å; I50-R54 WeakPolarHBondContact O-CG 3.19Å; I50-R54 PolarHBondContact O-N 3.02Å; I50-L74 HydrophobicContact CD1-CD2 4.38Å; I50-L74 HydrophobicContact CD1-CG 4.15Å; I50-L74 HydrophobicContact CG1-CD1 4.05Å; I50-L74 HydrophobicContact CG1-CD2 4.17Å; I50-L74 HydrophobicContact CG1-CG 4.1Å; I50-F75 HydrophobicContact CD1-CD1 3.92Å; I50-F75 HydrophobicContact CD1-CE1 4.2Å; I50-E78 HydrophobicContact CD1-CB 4.16Å; I50-E78 HydrophobicContact CD1-CG 4.43Å; I50-E78 HydrophobicContact CG2-CB 4.41Å; I50-E78 HydrophobicContact CG2-CG 4.49Å |
| 51 | K | 97.7 | Very high | 97.7 | Very high | 136 Ų | 136 | 49.4 Ų | 49.4 | 59% | 0.591 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.2 | -42.4 | 175.5 | -178.7 | -176 | 176.6 | -173.7 | 0 | 111.7 | G47 L48 I49 R54 T55 | G47-K51 VanDerWaalsContact O-CB 3.3Å; G47-K51 WeakPolarHBondContact O-CB 3.35Å; G47-K51 PolarHBondContact O-N 3.46Å; L48-K51 WeakPolarHBondContact O-CB 3.34Å; L48-K51 PolarHBondContact O-N 3.45Å; I49-K51 VanDerWaalsContact C-N 3.35Å; I49-K51 PolarHBondContact O-N 3.34Å; K51-R54 WeakPolarHBondContact O-CB 3.24Å; K51-R54 PolarHBondContact O-N 2.92Å; K51-T55 WeakPolarHBondContact O-CB 3.42Å; K51-T55 PolarHBondContact O-N 3.08Å; K51-T55 PolarHBondContact O-OG1 2.99Å |
| 52 | E | 95.8 | Very high | 97.8 | Very high | 38 Ų | 38 | 45.6 Ų | 45.6 | 18% | 0.178 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.9 | -50.4 | 179 | -179 | 164.1 | -127.2 | 0 | 0 | 111.1 | Y19 L48 I49 I50 R54 T55 Y56 P355 | Y19-E52 VanDerWaalsContact CE1-OE2 3.24Å; Y19-E52 WeakPolarHBondContact CE1-OE2 3.44Å; Y19-E52 PolarHBondContact OH-OE2 2.56Å; L48-E52 WeakPolarHBondContact O-CB 3.26Å; L48-E52 PolarHBondContact O-N 2.57Å; I49-E52 PolarHBondContact O-N 3.49Å; I50-E52 VanDerWaalsContact C-N 3.33Å; I50-E52 PolarHBondContact O-N 2.86Å; E52-R54 VanDerWaalsContact C-N 3.29Å; E52-R54 PolarHBondContact O-N 2.92Å; E52-T55 WeakPolarHBondContact O-CB 3.3Å; E52-T55 PolarHBondContact O-N 2.95Å; E52-Y56 HydrophobicContact CG-CD2 4.05Å; E52-Y56 HydrophobicContact CG-CE2 3.37Å; E52-Y56 WeakPolarHBondContact O-CD2 3.13Å; E52-Y56 PolarHBondContact O-N 3.26Å; E52-P355 HydrophobicContact CG-CG 4.19Å; E52-P355 WeakPolarHBondContact OE1-CG 3.33Å |
| 53 | I | 97.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.5 | -43.4 | 175.1 | -67.7 | 168.7 | 0 | 0 | 0 | 111.4 | L17 I49 T55 Y56 E57 I61 L63 F75 L79 | L17-I53 HydrophobicContact CD2-CG1 4.42Å; I49-I53 HydrophobicContact CG2-CD1 3.89Å; I49-I53 WeakPolarHBondContact O-CG1 3.44Å; I49-I53 PolarHBondContact O-N 2.62Å; I53-T55 VanDerWaalsContact C-N 3.31Å; I53-T55 PolarHBondContact O-N 3.4Å; I53-Y56 PolarHBondContact O-N 2.86Å; I53-E57 PolarHBondContact O-N 3.41Å; I53-I61 HydrophobicContact CG2-CD1 3.68Å; I53-L63 HydrophobicContact CD1-CD1 4.03Å; I53-L63 HydrophobicContact CD1-CD2 4.24Å; I53-F75 HydrophobicContact CD1-CD1 4.33Å; I53-F75 HydrophobicContact CD1-CE1 4.06Å; I53-L79 HydrophobicContact CG2-CD2 3.63Å |
| 54 | R | 97.1 | Very high | 97.8 | Very high | 109 Ų | 109 | 39.2 Ų | 39.2 | 41% | 0.411 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.5 | -36.9 | 175.7 | -80.1 | 167.6 | 178.6 | -163.4 | 3 | 113 | I50 K51 E52 E57 E78 L82 | I50-R54 HydrophobicContact CG2-CG 4.37Å; I50-R54 VanDerWaalsContact CG2-NE 3.33Å; I50-R54 VanDerWaalsContact O-CB 3.3Å; I50-R54 WeakPolarHBondContact O-CB 3.31Å; I50-R54 WeakPolarHBondContact O-CD 3.5Å; I50-R54 WeakPolarHBondContact O-CG 3.19Å; I50-R54 PolarHBondContact O-N 3.02Å; K51-R54 WeakPolarHBondContact O-CB 3.24Å; K51-R54 PolarHBondContact O-N 2.92Å; E52-R54 VanDerWaalsContact C-N 3.29Å; E52-R54 PolarHBondContact O-N 2.92Å; R54-E57 WeakPolarHBondContact O-CG 3.42Å; R54-E78 IonicContact CZ-OE2 3.59Å; R54-E78 IonicContact NH2-OE2 2.7Å; R54-E78 PolarHBondContact NH2-OE2 3.11Å; R54-L82 HydrophobicContact CG-CD1 3.42Å; R54-L82 VanDerWaalsContact CG-CD1 3.42Å; R54-L82 HydrophobicContact CG-CD2 4.44Å |
| 55 | T | 96.7 | Very high | 97.9 | Very high | 98 Ų | 98 | 36 Ų | 36 | 60% | 0.601 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -70.9 | -34.7 | -176.2 | -59 | 0 | 0 | 0 | 0 | 111.5 | K51 E52 I53 | K51-T55 WeakPolarHBondContact O-CB 3.42Å; K51-T55 PolarHBondContact O-N 3.08Å; K51-T55 PolarHBondContact O-OG1 2.99Å; E52-T55 WeakPolarHBondContact O-CB 3.3Å; E52-T55 PolarHBondContact O-N 2.95Å; I53-T55 VanDerWaalsContact C-N 3.31Å; I53-T55 PolarHBondContact O-N 3.4Å |
| 56 | Y | 96.3 | Very high | 97.9 | Very high | 61 Ų | 61 | 36 Ų | 36 | 24% | 0.239 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -76 | -25.3 | -179.9 | -68.2 | -54.3 | 0 | 0 | 0 | 114.2 | L17 E52 I53 A58 L328 P355 M357 | L17-Y56 HydrophobicContact CD1-CD2 3.73Å; L17-Y56 HydrophobicContact CD1-CE2 4.21Å; L17-Y56 HydrophobicContact CD1-CG 4.12Å; L17-Y56 HydrophobicContact CD2-CD2 4.04Å; E52-Y56 HydrophobicContact CG-CD2 4.05Å; E52-Y56 HydrophobicContact CG-CE2 3.37Å; E52-Y56 WeakPolarHBondContact O-CD2 3.13Å; E52-Y56 PolarHBondContact O-N 3.26Å; I53-Y56 PolarHBondContact O-N 2.86Å; Y56-A58 PolarHBondContact O-N 2.95Å; Y56-L328 HydrophobicContact CD1-CD2 4.08Å; Y56-L328 HydrophobicContact CE1-CD1 4.16Å; Y56-L328 HydrophobicContact CE1-CD2 3.33Å; Y56-L328 HydrophobicContact CE1-CG 4.4Å; Y56-P355 HydrophobicContact CE2-CB 3.88Å; Y56-P355 HydrophobicContact CE2-CG 3.5Å; Y56-P355 WeakPolarHBondContact OH-CG 3.2Å; Y56-M357 HydrophobicContact CD1-SD 4.05Å; Y56-M357 HydrophobicContact CG-SD 4.21Å; Y56-M357 WeakPolarHBondContact O-CE 3.19Å |
| 57 | E | 96.1 | Very high | 97.9 | Very high | 138 Ų | 138 | 34.1 Ų | 34.1 | 65% | 0.645 | 17% | 0.171 | S | C | * | . | trans | 48.4 | 34.9 | -179.7 | -59.3 | -167.3 | 103 | 0 | 0 | 113.8 | I53 R54 | I53-E57 PolarHBondContact O-N 3.41Å; R54-E57 WeakPolarHBondContact O-CG 3.42Å | ||
| 58 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -64.7 | 144 | -175 | 0 | 0 | 0 | 0 | 0 | 112 | T15 L17 Y56 I61 Y84 M357 | T15-A58 VanDerWaalsContact OG1-CA 3.28Å; T15-A58 WeakPolarHBondContact OG1-CA 3.1Å; L17-A58 HydrophobicContact CB-CB 3.53Å; Y56-A58 PolarHBondContact O-N 2.95Å; A58-I61 HydrophobicContact CB-CG1 4.05Å; A58-Y84 WeakPolarHBondContact O-CE1 3.28Å; A58-Y84 PolarHBondContact O-OH 2.85Å; A58-M357 HydrophobicContact CB-CE 3.86Å | ||
| 59 | D | 98.7 | Very high | 97.9 | Very high | 14 Ų | 14 | 32.9 Ų | 32.9 | 8% | 0.075 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -74.2 | -31.5 | -178.3 | -63.5 | -52.3 | 0 | 0 | 0 | 113.1 | F14 T15 W112 K113 K116 F117 | F14-D59 WeakPolarHBondContact CA-OD2 3.11Å; F14-D59 HydrophobicContact CB-CB 3.99Å; F14-D59 WeakPolarHBondContact CB-OD2 3.45Å; T15-D59 PolarHBondContact N-OD2 2.92Å; T15-D59 WeakPolarHBondContact O-CB 3.47Å; T15-D59 PolarHBondContact O-N 2.93Å; T15-D59 VanDerWaalsContact O-N 3.11Å; T15-D59 PolarHBondContact OG1-N 2.86Å; T15-D59 PolarHBondContact OG1-OD2 2.85Å; D59-W112 CarbonylContact O-C 3.46Å; D59-W112 VanDerWaalsContact O-CA 3.29Å; D59-W112 WeakPolarHBondContact O-CA 3.45Å; D59-K113 PolarHBondContact O-N 3.18Å; D59-K116 HydrophobicContact CB-CD 4.14Å; D59-K116 VanDerWaalsContact OD1-CD 3.25Å; D59-K116 WeakPolarHBondContact OD1-CD 3.33Å; D59-K116 VanDerWaalsContact OD1-CE 3.28Å; D59-K116 WeakPolarHBondContact OD1-CE 3.29Å; D59-K116 IonicContact OD1-NZ 2.71Å; D59-K116 PolarHBondContact OD1-NZ 3.26Å; D59-K116 IonicContact OD2-NZ 2.79Å; D59-K116 PolarHBondContact OD2-NZ 3.23Å; D59-F117 HydrophobicContact CB-CE2 4.1Å |
| 60 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 134.3 | 172.6 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | F14 T15 V16 L17 I110 F111 W112 F117 L157 V187 | F14-V60 HydrophobicContact CD2-CG2 4.22Å; F14-V60 HydrophobicContact CE2-CG2 4.44Å; T15-V60 PolarHBondContact O-N 2.94Å; V16-V60 CarbonylContact C-O 3.53Å; V16-V60 VanDerWaalsContact CA-O 3.27Å; V16-V60 WeakPolarHBondContact CA-O 3.24Å; V16-V60 HydrophobicContact CB-CB 4.42Å; V16-V60 HydrophobicContact CG2-CB 4.3Å; V16-V60 HydrophobicContact CG2-CG1 4.23Å; L17-V60 PolarHBondContact N-O 2.89Å; V60-I110 HydrophobicContact CG1-CG2 4.48Å; V60-F111 CarbonylContact C-O 3.54Å; V60-F111 WeakPolarHBondContact CA-O 3.48Å; V60-W112 HydrophobicContact CG2-CB 4.49Å; V60-F117 HydrophobicContact CG2-CD2 4.34Å; V60-F117 HydrophobicContact CG2-CE2 3.91Å; V60-F117 HydrophobicContact CG2-CZ 4.37Å; V60-L157 HydrophobicContact CG2-CD1 4.29Å; V60-V187 HydrophobicContact CG1-CG1 3.84Å; V60-V187 HydrophobicContact CG1-CG2 4.25Å |
| 61 | I | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 126.3 | 178.6 | -57.7 | 158.6 | 0 | 0 | 0 | 108.3 | L17 I53 A58 L63 L79 Y84 I110 F111 | L17-I61 HydrophobicContact CB-CG1 4.26Å; L17-I61 HydrophobicContact CB-CG2 4.44Å; L17-I61 HydrophobicContact CD2-CG1 4.28Å; L17-I61 HydrophobicContact CD2-CG2 4.05Å; L17-I61 CarbonylContact O-C 3.48Å; L17-I61 WeakPolarHBondContact O-CA 3.32Å; I53-I61 HydrophobicContact CG2-CD1 3.68Å; A58-I61 HydrophobicContact CB-CG1 4.05Å; I61-L63 HydrophobicContact CG2-CD1 4.47Å; I61-L63 HydrophobicContact CG2-CD2 3.53Å; I61-L63 HydrophobicContact CG2-CG 3.82Å; I61-L79 HydrophobicContact CD1-CD2 4.33Å; I61-Y84 HydrophobicContact CD1-CD1 4.09Å; I61-Y84 HydrophobicContact CD1-CE1 3.53Å; I61-Y84 HydrophobicContact CD1-CE2 4.45Å; I61-Y84 HydrophobicContact CG1-CE1 4.21Å; I61-I110 CarbonylContact O-C 3.57Å; I61-I110 WeakPolarHBondContact O-CA 3.29Å; I61-F111 HydrophobicContact CB-CB 4.22Å; I61-F111 PolarHBondContact N-O 2.84Å; I61-F111 PolarHBondContact O-N 2.97Å |
| 62 | T | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 120.3 | 172 | 64.2 | 0 | 0 | 0 | 0 | 109.6 | L17 C18 Y19 A109 I110 V187 C236 | L17-T62 PolarHBondContact O-N 3.34Å; L17-T62 PolarHBondContact O-OG1 3.05Å; C18-T62 WeakPolarHBondContact CA-O 3.39Å; C18-T62 WeakPolarHBondContact CA-OG1 3.43Å; Y19-T62 PolarHBondContact N-O 2.89Å; T62-A109 CarbonylContact C-O 3.5Å; T62-A109 WeakPolarHBondContact CA-O 3.37Å; T62-I110 HydrophobicContact CG2-CG1 4.36Å; T62-V187 HydrophobicContact CG2-CG1 3.94Å; T62-C236 HydrophobicContact CG2-CB 3.96Å; T62-C236 WeakPolarHBondContact OG1-CB 3.13Å |
| 63 | L | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 142.6 | -179.1 | -55.1 | -178.6 | 0 | 0 | 0 | 111.3 | Y19 V21 I53 I61 V66 F75 C108 A109 F111 | Y19-L63 HydrophobicContact CD1-CD2 4.41Å; Y19-L63 VanDerWaalsContact O-CA 3.26Å; Y19-L63 WeakPolarHBondContact O-CA 3.48Å; V21-L63 HydrophobicContact CG1-CD1 4.36Å; V21-L63 HydrophobicContact CG1-CD2 4.03Å; I53-L63 HydrophobicContact CD1-CD1 4.03Å; I53-L63 HydrophobicContact CD1-CD2 4.24Å; I61-L63 HydrophobicContact CG2-CD1 4.47Å; I61-L63 HydrophobicContact CG2-CD2 3.53Å; I61-L63 HydrophobicContact CG2-CG 3.82Å; L63-V66 HydrophobicContact CB-CG2 3.46Å; L63-V66 VanDerWaalsContact CB-CG2 3.46Å; L63-V66 HydrophobicContact CD1-CG2 3.99Å; L63-V66 HydrophobicContact CG-CG2 4.38Å; L63-F75 HydrophobicContact CD1-CD1 3.79Å; L63-F75 HydrophobicContact CD1-CE1 3.82Å; L63-C108 CarbonylContact O-C 3.58Å; L63-C108 VanDerWaalsContact O-CA 3.28Å; L63-C108 WeakPolarHBondContact O-CA 3.31Å; L63-A109 HydrophobicContact CB-CB 4.39Å; L63-A109 PolarHBondContact N-O 2.91Å; L63-A109 PolarHBondContact O-N 2.87Å; L63-F111 HydrophobicContact CD1-CD2 4.43Å; L63-F111 HydrophobicContact CD1-CE2 3.98Å |
| 64 | Q | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 158.9 | 168.6 | -56.1 | 74.7 | 48.8 | 0 | 0 | 109.2 | Y19 N20 V21 V66 T189 H191 D238 | Y19-Q64 VanDerWaalsContact C-OE1 3.27Å; Y19-Q64 PolarHBondContact O-N 3.42Å; Y19-Q64 VanDerWaalsContact O-N 3.12Å; Y19-Q64 PolarHBondContact O-OE1 2.82Å; N20-Q64 HydrophobicContact CB-CB 4.08Å; V21-Q64 WeakPolarHBondContact CG2-O 3.28Å; V21-Q64 PolarHBondContact N-O 3.46Å; V21-Q64 VanDerWaalsContact N-O 3.1Å; Q64-V66 VanDerWaalsContact C-N 3.27Å; Q64-V66 PolarHBondContact O-N 2.84Å; Q64-T189 PolarHBondContact NE2-OG1 2.99Å; Q64-H191 HydrophobicContact CB-CB 4.24Å; Q64-H191 HydrophobicContact CG-CB 4.08Å; Q64-D238 HydrophobicContact CG-CB 4.29Å |
| 65 | E | 98.6 | Very high | 98.2 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 7% | 0.07 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 59.7 | 33.3 | -177 | -60.7 | -164.5 | -157.7 | 0 | 0 | 114.8 | N20 V21 L22 C23 Y26 G107 H191 | N20-E65 PolarHBondContact ND2-OE1 2.89Å; N20-E65 VanDerWaalsContact OD1-CB 3.3Å; N20-E65 WeakPolarHBondContact OD1-CB 3.33Å; N20-E65 WeakPolarHBondContact OD1-CG 3.29Å; N20-E65 PolarHBondContact OD1-OE1 3.37Å; V21-E65 WeakPolarHBondContact CG2-O 3.46Å; L22-E65 WeakPolarHBondContact CA-OE2 3.37Å; C23-E65 HydrophobicContact CB-CB 4.05Å; C23-E65 WeakPolarHBondContact CB-O 3.2Å; C23-E65 PolarHBondContact N-OE2 3.25Å; C23-E65 PolarHBondContact SG-OE2 3.22Å; C23-E65 VanDerWaalsContact SG-OE2 3.39Å; Y26-E65 WeakPolarHBondContact CD2-OE2 3.29Å; E65-G107 PolarHBondContact N-O 3.41Å; E65-H191 IonicContact OE1-CE1 2.92Å; E65-H191 PolarHBondContact OE1-CE1 3.33Å |
| 66 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 119.6 | 171.6 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | V21 L63 Q64 F71 F75 F88 D106 G107 A109 | V21-V66 HydrophobicContact CG2-CG2 4.26Å; L63-V66 HydrophobicContact CB-CG2 3.46Å; L63-V66 VanDerWaalsContact CB-CG2 3.46Å; L63-V66 HydrophobicContact CD1-CG2 3.99Å; L63-V66 HydrophobicContact CG-CG2 4.38Å; Q64-V66 VanDerWaalsContact C-N 3.27Å; Q64-V66 PolarHBondContact O-N 2.84Å; V66-F71 HydrophobicContact CG1-CB 3.82Å; V66-F71 HydrophobicContact CG1-CD2 4.38Å; V66-F75 HydrophobicContact CG1-CD2 3.69Å; V66-F75 HydrophobicContact CG1-CE2 3.86Å; V66-F75 HydrophobicContact CG1-CG 4.47Å; V66-F75 HydrophobicContact CG2-CE2 4.45Å; V66-F88 HydrophobicContact CB-CD2 4.24Å; V66-F88 HydrophobicContact CB-CE2 4.05Å; V66-F88 HydrophobicContact CG1-CD2 4.18Å; V66-F88 HydrophobicContact CG1-CE2 4.17Å; V66-F88 WeakPolarHBondContact O-CE2 3.36Å; V66-F88 WeakPolarHBondContact O-CZ 3.42Å; V66-D106 CarbonylContact O-C 3.47Å; V66-D106 VanDerWaalsContact O-CA 3.25Å; V66-D106 WeakPolarHBondContact O-CA 3.25Å; V66-G107 PolarHBondContact N-O 3.02Å; V66-G107 VanDerWaalsContact N-O 3.14Å; V66-G107 PolarHBondContact O-N 2.87Å; V66-A109 HydrophobicContact CG2-CB 4.18Å |
| 67 | E | 98.4 | Very high | 98.4 | Very high | 7 Ų | 7 | 32 Ų | 32 | 3% | 0.033 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 145 | 173.7 | -66.8 | -172.8 | -172.4 | 0 | 0 | 112.2 | C23 D24 K25 E69 Q70 F71 | C23-E67 HydrophobicContact CB-CG 3.75Å; D24-E67 WeakPolarHBondContact CB-OE1 3.34Å; D24-E67 PolarHBondContact N-OE1 3.01Å; K25-E67 PolarHBondContact N-OE1 2.73Å; E67-E69 VanDerWaalsContact C-N 3.35Å; E67-E69 PolarHBondContact O-N 2.74Å; E67-Q70 HydrophobicContact CB-CB 4.17Å; E67-Q70 HydrophobicContact CB-CG 3.92Å; E67-Q70 PolarHBondContact O-N 3.31Å; E67-Q70 VanDerWaalsContact O-N 3.11Å; E67-F71 PolarHBondContact O-N 3.17Å |
| 68 | T | 98.1 | Very high | 98.5 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56 | -44.5 | -174.8 | -64.1 | 0 | 0 | 0 | 0 | 113.2 | F88 A90 R102 K103 V105 | T68-F88 HydrophobicContact CG2-CE1 4.12Å; T68-F88 WeakPolarHBondContact OG1-CE1 3.09Å; T68-A90 WeakPolarHBondContact OG1-CB 3.42Å; T68-R102 WeakPolarHBondContact CB-O 3.23Å; T68-R102 PolarHBondContact OG1-O 2.99Å; T68-K103 WeakPolarHBondContact CB-O 3.41Å; T68-K103 PolarHBondContact N-O 3.35Å; T68-V105 PolarHBondContact N-O 2.82Å; T68-V105 PolarHBondContact OG1-O 2.82Å |
| 69 | E | 97.5 | Very high | 98.5 | Very high | 57 Ų | 57 | 27.9 Ų | 27.9 | 27% | 0.266 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -69.5 | -43.1 | 176.9 | -178.3 | 167 | -120 | 0 | 0 | 111.4 | E67 F71 R72 T73 K103 | E67-E69 VanDerWaalsContact C-N 3.35Å; E67-E69 PolarHBondContact O-N 2.74Å; E69-F71 VanDerWaalsContact C-N 3.29Å; E69-F71 PolarHBondContact O-N 2.88Å; E69-R72 PolarHBondContact O-N 2.9Å; E69-T73 HydrophobicContact CG-CG2 3.95Å; E69-T73 PolarHBondContact O-N 3.35Å; E69-T73 PolarHBondContact O-OG1 3.08Å; E69-K103 HydrophobicContact CB-CB 3.94Å; E69-K103 HydrophobicContact CB-CG 4.44Å; E69-K103 PolarHBondContact N-O 3.17Å |
| 70 | Q | 98.4 | Very high | 98.5 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 11% | 0.107 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.6 | -32.9 | -179.6 | -59.3 | -55.9 | -37.1 | 0 | 0 | 112.4 | W42 E67 R72 L74 F75 | W42-Q70 HydrophobicContact CZ2-CB 3.91Å; W42-Q70 HydrophobicContact CZ2-CG 3.59Å; E67-Q70 HydrophobicContact CB-CB 4.17Å; E67-Q70 HydrophobicContact CB-CG 3.92Å; E67-Q70 PolarHBondContact O-N 3.31Å; E67-Q70 VanDerWaalsContact O-N 3.11Å; Q70-R72 VanDerWaalsContact C-N 3.29Å; Q70-R72 PolarHBondContact O-N 2.8Å; Q70-L74 CarbonylContact O-C 3.57Å; Q70-L74 WeakPolarHBondContact O-CA 3.23Å; Q70-L74 VanDerWaalsContact O-CB 3.29Å; Q70-L74 WeakPolarHBondContact O-CB 3.28Å; Q70-L74 PolarHBondContact O-N 2.8Å; Q70-F75 HydrophobicContact CB-CD2 4.22Å; Q70-F75 HydrophobicContact CB-CE2 4.07Å; Q70-F75 WeakPolarHBondContact O-CD2 3.28Å; Q70-F75 PolarHBondContact O-N 3.17Å |
| 71 | F | 98.6 | Very high | 98.5 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 7% | 0.07 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -56 | -47.2 | 170.1 | 178.6 | -98.2 | 0 | 0 | 0 | 111.1 | V66 E67 E69 Q76 F88 A109 F111 | V66-F71 HydrophobicContact CG1-CB 3.82Å; V66-F71 HydrophobicContact CG1-CD2 4.38Å; E67-F71 PolarHBondContact O-N 3.17Å; E69-F71 VanDerWaalsContact C-N 3.29Å; E69-F71 PolarHBondContact O-N 2.88Å; F71-Q76 HydrophobicContact CE1-CB 4.26Å; F71-Q76 HydrophobicContact CZ-CB 4.32Å; F71-Q76 WeakPolarHBondContact O-CB 3.43Å; F71-Q76 PolarHBondContact O-N 3.31Å; F71-F88 HydrophobicContact CB-CB 4.31Å; F71-F88 HydrophobicContact CB-CD1 4.23Å; F71-F88 HydrophobicContact CB-CD2 4.27Å; F71-F88 HydrophobicContact CB-CG 4Å; F71-F88 HydrophobicContact CD1-CB 3.64Å; F71-F88 HydrophobicContact CD1-CD1 4.26Å; F71-F88 HydrophobicContact CD1-CG 4.09Å; F71-F88 HydrophobicContact CD2-CB 3.39Å; F71-F88 HydrophobicContact CD2-CD2 4.26Å; F71-F88 AromaticContact CD2-CG 3.93Å; F71-F88 HydrophobicContact CD2-CG 3.93Å; F71-F88 HydrophobicContact CE1-CB 3.7Å; F71-F88 HydrophobicContact CE2-CB 3.43Å; F71-F88 VanDerWaalsContact CE2-CB 3.43Å; F71-F88 HydrophobicContact CE2-CG 4.44Å; F71-F88 HydrophobicContact CG-CB 3.49Å; F71-F88 VanDerWaalsContact CG-CB 3.49Å; F71-F88 HydrophobicContact CG-CD1 4.18Å; F71-F88 HydrophobicContact CG-CD2 4.28Å; F71-F88 AromaticContact CG-CG 3.72Å; F71-F88 HydrophobicContact CG-CG 3.72Å; F71-F88 HydrophobicContact CZ-CB 3.58Å; F71-A109 HydrophobicContact CD2-CB 4.12Å; F71-A109 HydrophobicContact CE2-CB 4.14Å; F71-F111 HydrophobicContact CD2-CE2 4.49Å; F71-F111 AromaticContact CD2-CZ 3.75Å; F71-F111 HydrophobicContact CD2-CZ 3.75Å; F71-F111 AromaticContact CE2-CE1 3.78Å; F71-F111 HydrophobicContact CE2-CE1 3.78Å; F71-F111 HydrophobicContact CE2-CE2 4.17Å; F71-F111 AromaticContact CE2-CZ 3.35Å; F71-F111 HydrophobicContact CE2-CZ 3.35Å; F71-F111 HydrophobicContact CZ-CE1 4.46Å; F71-F111 HydrophobicContact CZ-CZ 4.4Å |
| 72 | R | 98.1 | Very high | 98.4 | Very high | 160 Ų | 160 | 44.6 Ų | 44.6 | 60% | 0.604 | 21% | 0.212 | S | C | * | . | I | π-helix | trans | -75.8 | -39.4 | -175.2 | -65.9 | 177.6 | 178.6 | 143.5 | 1.6 | 113.3 | E69 Q70 P77 | E69-R72 PolarHBondContact O-N 2.9Å; Q70-R72 VanDerWaalsContact C-N 3.29Å; Q70-R72 PolarHBondContact O-N 2.8Å; R72-P77 VanDerWaalsContact O-CD 3.28Å; R72-P77 WeakPolarHBondContact O-CD 3.11Å |
| 73 | T | 98.2 | Very high | 98.3 | Very high | 86 Ų | 86 | 46 Ų | 46 | 53% | 0.528 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -96.1 | -22.8 | -170.6 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | E69 P77 | E69-T73 HydrophobicContact CG-CG2 3.95Å; E69-T73 PolarHBondContact O-N 3.35Å; E69-T73 PolarHBondContact O-OG1 3.08Å; T73-P77 VanDerWaalsContact O-CG 3.29Å; T73-P77 WeakPolarHBondContact O-CG 3.28Å |
| 74 | L | 98.5 | Very high | 98.3 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 9% | 0.094 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -120.9 | -71.2 | -177.5 | 179.6 | 76.6 | 0 | 0 | 0 | 111.9 | W42 K46 I50 Q70 Q76 P77 E78 | W42-L74 HydrophobicContact CZ2-CD2 3.8Å; K46-L74 HydrophobicContact CB-CD2 3.74Å; K46-L74 HydrophobicContact CD-CD1 4.45Å; K46-L74 HydrophobicContact CD-CD2 4.38Å; K46-L74 HydrophobicContact CG-CD2 4.41Å; I50-L74 HydrophobicContact CD1-CD2 4.38Å; I50-L74 HydrophobicContact CD1-CG 4.15Å; I50-L74 HydrophobicContact CG1-CD1 4.05Å; I50-L74 HydrophobicContact CG1-CD2 4.17Å; I50-L74 HydrophobicContact CG1-CG 4.1Å; Q70-L74 CarbonylContact O-C 3.57Å; Q70-L74 WeakPolarHBondContact O-CA 3.23Å; Q70-L74 VanDerWaalsContact O-CB 3.29Å; Q70-L74 WeakPolarHBondContact O-CB 3.28Å; Q70-L74 PolarHBondContact O-N 2.8Å; L74-Q76 PolarHBondContact O-N 3.31Å; L74-P77 VanDerWaalsContact O-CD 3.26Å; L74-P77 WeakPolarHBondContact O-CD 3.2Å; L74-P77 WeakPolarHBondContact O-CG 3.33Å; L74-E78 HydrophobicContact CD1-CG 4.08Å; L74-E78 WeakPolarHBondContact O-CB 3.45Å; L74-E78 WeakPolarHBondContact O-CG 3.46Å; L74-E78 PolarHBondContact O-N 2.64Å |
| 75 | F | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -62.9 | -48 | -166.6 | -67.9 | -82.5 | 0 | 0 | 0 | 112.5 | V21 W42 I49 I50 I53 L63 V66 Q70 L79 F111 | V21-F75 HydrophobicContact CG2-CZ 4.1Å; W42-F75 HydrophobicContact CH2-CE2 4.15Å; W42-F75 HydrophobicContact CH2-CZ 4.13Å; W42-F75 HydrophobicContact CZ2-CE2 4.3Å; I49-F75 HydrophobicContact CG2-CE1 3.88Å; I49-F75 HydrophobicContact CG2-CZ 4.21Å; I50-F75 HydrophobicContact CD1-CD1 3.92Å; I50-F75 HydrophobicContact CD1-CE1 4.2Å; I53-F75 HydrophobicContact CD1-CD1 4.33Å; I53-F75 HydrophobicContact CD1-CE1 4.06Å; L63-F75 HydrophobicContact CD1-CD1 3.79Å; L63-F75 HydrophobicContact CD1-CE1 3.82Å; V66-F75 HydrophobicContact CG1-CD2 3.69Å; V66-F75 HydrophobicContact CG1-CE2 3.86Å; V66-F75 HydrophobicContact CG1-CG 4.47Å; V66-F75 HydrophobicContact CG2-CE2 4.45Å; Q70-F75 HydrophobicContact CB-CD2 4.22Å; Q70-F75 HydrophobicContact CB-CE2 4.07Å; Q70-F75 WeakPolarHBondContact O-CD2 3.28Å; Q70-F75 PolarHBondContact O-N 3.17Å; F75-L79 WeakPolarHBondContact O-CB 3.42Å; F75-L79 VanDerWaalsContact O-CG 3.31Å; F75-L79 WeakPolarHBondContact O-CG 3.28Å; F75-L79 PolarHBondContact O-N 3.35Å; F75-F111 HydrophobicContact CB-CE2 4.39Å; F75-F111 HydrophobicContact CB-CZ 3.75Å |
| 76 | Q | 98.4 | Very high | 98.3 | Very high | 84 Ų | 84 | 48.1 Ų | 48.1 | 39% | 0.393 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.2 | -53 | 179.7 | -173.7 | 177.2 | 28 | 0 | 0 | 113.1 | F71 L74 K80 | F71-Q76 HydrophobicContact CE1-CB 4.26Å; F71-Q76 HydrophobicContact CZ-CB 4.32Å; F71-Q76 WeakPolarHBondContact O-CB 3.43Å; F71-Q76 PolarHBondContact O-N 3.31Å; L74-Q76 PolarHBondContact O-N 3.31Å; Q76-K80 WeakPolarHBondContact O-CB 3.3Å; Q76-K80 PolarHBondContact O-N 3.21Å |
| 77 | P | 98.5 | Very high | 98.3 | Very high | 47 Ų | 47 | 48.7 Ų | 48.7 | 31% | 0.305 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.5 | -39.3 | 179.7 | 22 | -31.7 | 0 | 0 | 0 | 113.1 | R72 T73 L74 Q81 | R72-P77 VanDerWaalsContact O-CD 3.28Å; R72-P77 WeakPolarHBondContact O-CD 3.11Å; T73-P77 VanDerWaalsContact O-CG 3.29Å; T73-P77 WeakPolarHBondContact O-CG 3.28Å; L74-P77 VanDerWaalsContact O-CD 3.26Å; L74-P77 WeakPolarHBondContact O-CD 3.2Å; L74-P77 WeakPolarHBondContact O-CG 3.33Å; P77-Q81 WeakPolarHBondContact O-CG 3.46Å; P77-Q81 PolarHBondContact O-N 2.64Å |
| 78 | E | 98.4 | Very high | 98.4 | Very high | 52 Ų | 52 | 49.8 Ų | 49.8 | 24% | 0.243 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.4 | -47.2 | 179.3 | -69.9 | -63.7 | 161.9 | 0 | 0 | 112 | I50 R54 L74 Q81 | I50-E78 HydrophobicContact CD1-CB 4.16Å; I50-E78 HydrophobicContact CD1-CG 4.43Å; I50-E78 HydrophobicContact CG2-CB 4.41Å; I50-E78 HydrophobicContact CG2-CG 4.49Å; R54-E78 IonicContact CZ-OE2 3.59Å; R54-E78 IonicContact NH2-OE2 2.7Å; R54-E78 PolarHBondContact NH2-OE2 3.11Å; L74-E78 HydrophobicContact CD1-CG 4.08Å; L74-E78 WeakPolarHBondContact O-CB 3.45Å; L74-E78 WeakPolarHBondContact O-CG 3.46Å; L74-E78 PolarHBondContact O-N 2.64Å; E78-Q81 PolarHBondContact O-N 3.43Å |
| 79 | L | 98.4 | Very high | 98.4 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.2 | -29.7 | 179.8 | -68.7 | 174.2 | 0 | 0 | 0 | 112 | I53 I61 F75 Q81 L82 G83 Y84 F111 | I53-L79 HydrophobicContact CG2-CD2 3.63Å; I61-L79 HydrophobicContact CD1-CD2 4.33Å; F75-L79 WeakPolarHBondContact O-CB 3.42Å; F75-L79 VanDerWaalsContact O-CG 3.31Å; F75-L79 WeakPolarHBondContact O-CG 3.28Å; F75-L79 PolarHBondContact O-N 3.35Å; L79-Q81 VanDerWaalsContact C-N 3.29Å; L79-Q81 PolarHBondContact O-N 3.39Å; L79-L82 HydrophobicContact CD2-CD1 3.93Å; L79-L82 CarbonylContact O-C 3.57Å; L79-L82 WeakPolarHBondContact O-CA 3.45Å; L79-L82 WeakPolarHBondContact O-CB 3.37Å; L79-L82 PolarHBondContact O-N 3.46Å; L79-G83 PolarHBondContact O-N 2.99Å; L79-Y84 HydrophobicContact CB-CD2 4.18Å; L79-Y84 HydrophobicContact CB-CG 4.27Å; L79-Y84 HydrophobicContact CD2-CD2 4.1Å; L79-Y84 HydrophobicContact CD2-CE2 4.26Å; L79-Y84 WeakPolarHBondContact O-CB 3.45Å; L79-Y84 WeakPolarHBondContact O-CD2 3.4Å; L79-Y84 PolarHBondContact O-N 3.49Å; L79-F111 HydrophobicContact CB-CD1 4.11Å; L79-F111 HydrophobicContact CB-CE1 4.29Å; L79-F111 HydrophobicContact CD1-CB 4.33Å; L79-F111 HydrophobicContact CD1-CD1 3.55Å; L79-F111 HydrophobicContact CD1-CD2 3.67Å; L79-F111 HydrophobicContact CD1-CE1 3.64Å; L79-F111 HydrophobicContact CD1-CE2 3.74Å; L79-F111 HydrophobicContact CD1-CG 3.58Å; L79-F111 HydrophobicContact CD1-CZ 3.72Å; L79-F111 HydrophobicContact CG-CD1 4.49Å |
| 80 | K | 98.5 | Very high | 98.4 | Very high | 154 Ų | 154 | 50.2 Ų | 50.2 | 67% | 0.67 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -60.5 | -38.5 | 173.3 | -175 | 177.9 | -178.9 | -178.4 | 0 | 112.4 | Q76 L82 G83 Y84 | Q76-K80 WeakPolarHBondContact O-CB 3.3Å; Q76-K80 PolarHBondContact O-N 3.21Å; K80-L82 PolarHBondContact O-N 3.25Å; K80-G83 PolarHBondContact O-N 3.06Å; K80-G83 VanDerWaalsContact O-N 3.07Å; K80-Y84 WeakPolarHBondContact CA-O 3.39Å |
| 81 | Q | 98 | Very high | 98.3 | Very high | 148 Ų | 148 | 49.6 Ų | 49.6 | 69% | 0.692 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -63.2 | -26.2 | 174.9 | -68.4 | 174.2 | 41.5 | 0 | 0 | 112.5 | P77 E78 L79 G83 | P77-Q81 WeakPolarHBondContact O-CG 3.46Å; P77-Q81 PolarHBondContact O-N 2.64Å; E78-Q81 PolarHBondContact O-N 3.43Å; L79-Q81 VanDerWaalsContact C-N 3.29Å; L79-Q81 PolarHBondContact O-N 3.39Å; Q81-G83 VanDerWaalsContact C-N 3.3Å |
| 82 | L | 97.4 | Very high | 98 | Very high | 63 Ų | 63 | 49.6 Ų | 49.6 | 33% | 0.33 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 9.6 | 177.5 | -56 | 168.4 | 0 | 0 | 0 | 112.7 | R54 L79 K80 Y84 K113 | R54-L82 HydrophobicContact CG-CD1 3.42Å; R54-L82 VanDerWaalsContact CG-CD1 3.42Å; R54-L82 HydrophobicContact CG-CD2 4.44Å; L79-L82 HydrophobicContact CD2-CD1 3.93Å; L79-L82 CarbonylContact O-C 3.57Å; L79-L82 WeakPolarHBondContact O-CA 3.45Å; L79-L82 WeakPolarHBondContact O-CB 3.37Å; L79-L82 PolarHBondContact O-N 3.46Å; K80-L82 PolarHBondContact O-N 3.25Å; L82-Y84 HydrophobicContact CB-CD2 3.76Å; L82-Y84 HydrophobicContact CB-CE2 3.81Å; L82-K113 PolarHBondContact O-NZ 2.71Å |
| 83 | G | 98.3 | Very high | 97.7 | Very high | 30 Ų | 30 | 44.3 Ų | 44.3 | 31% | 0.309 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 23.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L79 K80 Q81 V114 | L79-G83 PolarHBondContact O-N 2.99Å; K80-G83 PolarHBondContact O-N 3.06Å; K80-G83 VanDerWaalsContact O-N 3.07Å; Q81-G83 VanDerWaalsContact C-N 3.3Å; G83-V114 WeakPolarHBondContact O-CG2 3.26Å; G83-V114 PolarHBondContact O-N 3.42Å |
| 84 | Y | 98.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 147.8 | 172.4 | -63.6 | -97 | 0 | 0 | 0 | 112.1 | A58 I61 L79 K80 L82 F111 W112 K113 | A58-Y84 WeakPolarHBondContact O-CE1 3.28Å; A58-Y84 PolarHBondContact O-OH 2.85Å; I61-Y84 HydrophobicContact CD1-CD1 4.09Å; I61-Y84 HydrophobicContact CD1-CE1 3.53Å; I61-Y84 HydrophobicContact CD1-CE2 4.45Å; I61-Y84 HydrophobicContact CG1-CE1 4.21Å; L79-Y84 HydrophobicContact CB-CD2 4.18Å; L79-Y84 HydrophobicContact CB-CG 4.27Å; L79-Y84 HydrophobicContact CD2-CD2 4.1Å; L79-Y84 HydrophobicContact CD2-CE2 4.26Å; L79-Y84 WeakPolarHBondContact O-CB 3.45Å; L79-Y84 WeakPolarHBondContact O-CD2 3.4Å; L79-Y84 PolarHBondContact O-N 3.49Å; K80-Y84 WeakPolarHBondContact CA-O 3.39Å; L82-Y84 HydrophobicContact CB-CD2 3.76Å; L82-Y84 HydrophobicContact CB-CE2 3.81Å; Y84-F111 HydrophobicContact CD1-CB 4.09Å; Y84-W112 VanDerWaalsContact CA-O 3.24Å; Y84-W112 WeakPolarHBondContact CA-O 3.18Å; Y84-W112 VanDerWaalsContact CD1-C 3.47Å; Y84-K113 HydrophobicContact CD1-CD 4.11Å; Y84-K113 HydrophobicContact CD1-CG 4.2Å; Y84-K113 HydrophobicContact CD2-CD 4.13Å; Y84-K113 HydrophobicContact CE1-CD 3.73Å; Y84-K113 HydrophobicContact CE1-CG 3.71Å; Y84-K113 HydrophobicContact CE2-CD 3.79Å; Y84-K113 HydrophobicContact CG-CD 4.29Å; Y84-K113 WeakPolarHBondContact OH-CE 3.3Å; Y84-K113 PolarHBondContact OH-NZ 3.01Å |
| 85 | A | 98.8 | Very high | 96.8 | Very high | 33 Ų | 33 | 46 Ų | 46 | 27% | 0.273 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 162.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | F111 W112 V114 | A85-F111 CarbonylContact O-C 3.52Å; A85-F111 WeakPolarHBondContact O-CA 3.31Å; A85-W112 HydrophobicContact CB-CD2 4.45Å; A85-W112 HydrophobicContact CB-CH2 4.16Å; A85-W112 HydrophobicContact CB-CZ2 3.47Å; A85-W112 VanDerWaalsContact CB-CZ2 3.47Å; A85-W112 PolarHBondContact N-O 3.29Å; A85-W112 PolarHBondContact O-N 2.73Å; A85-V114 HydrophobicContact CB-CG1 3.61Å |
| 86 | G | 98.6 | Very high | 96.4 | Very high | 16 Ų | 16 | 52.1 Ų | 52.1 | 17% | 0.165 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 158.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | I110 | G86-I110 CarbonylContact C-O 3.43Å; G86-I110 WeakPolarHBondContact CA-O 3.43Å |
| 87 | I | 98.9 | Very high | 96 | Very high | 13 Ų | 13 | 50.1 Ų | 50.1 | 7% | 0.067 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 155.2 | 175.7 | 58.6 | 171.6 | 0 | 0 | 0 | 109.6 | A109 I110 W112 M119 Q122 L153 A155 | I87-A109 CarbonylContact O-C 3.58Å; I87-A109 VanDerWaalsContact O-CA 3.23Å; I87-A109 WeakPolarHBondContact O-CA 3.39Å; I87-I110 HydrophobicContact CG1-CB 4.06Å; I87-I110 PolarHBondContact N-O 3.01Å; I87-I110 PolarHBondContact O-N 2.83Å; I87-W112 HydrophobicContact CG1-CZ3 4.21Å; I87-W112 HydrophobicContact CG2-CH2 3.95Å; I87-W112 HydrophobicContact CG2-CZ3 4.12Å; I87-M119 HydrophobicContact CG2-SD 3.68Å; I87-Q122 HydrophobicContact CD1-CB 3.67Å; I87-Q122 VanDerWaalsContact CG2-OE1 3.22Å; I87-L153 HydrophobicContact CD1-CD1 3.92Å; I87-L153 HydrophobicContact CD1-CD2 4.22Å; I87-L153 HydrophobicContact CD1-CG 4.09Å; I87-L153 HydrophobicContact CG1-CD2 4.06Å; I87-L153 HydrophobicContact CG1-CG 4.47Å; I87-A155 HydrophobicContact CD1-CB 3.95Å |
| 88 | F | 98.8 | Very high | 95.7 | Very high | 29 Ų | 29 | 50 Ų | 50 | 13% | 0.127 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 142.2 | -180 | 165.7 | -97.2 | 0 | 0 | 0 | 110.3 | V66 T68 F71 A90 C108 A109 | V66-F88 HydrophobicContact CB-CD2 4.24Å; V66-F88 HydrophobicContact CB-CE2 4.05Å; V66-F88 HydrophobicContact CG1-CD2 4.18Å; V66-F88 HydrophobicContact CG1-CE2 4.17Å; V66-F88 WeakPolarHBondContact O-CE2 3.36Å; V66-F88 WeakPolarHBondContact O-CZ 3.42Å; T68-F88 HydrophobicContact CG2-CE1 4.12Å; T68-F88 WeakPolarHBondContact OG1-CE1 3.09Å; F71-F88 HydrophobicContact CB-CB 4.31Å; F71-F88 HydrophobicContact CB-CD1 4.23Å; F71-F88 HydrophobicContact CB-CD2 4.27Å; F71-F88 HydrophobicContact CB-CG 4Å; F71-F88 HydrophobicContact CD1-CB 3.64Å; F71-F88 HydrophobicContact CD1-CD1 4.26Å; F71-F88 HydrophobicContact CD1-CG 4.09Å; F71-F88 HydrophobicContact CD2-CB 3.39Å; F71-F88 HydrophobicContact CD2-CD2 4.26Å; F71-F88 AromaticContact CD2-CG 3.93Å; F71-F88 HydrophobicContact CD2-CG 3.93Å; F71-F88 HydrophobicContact CE1-CB 3.7Å; F71-F88 HydrophobicContact CE2-CB 3.43Å; F71-F88 VanDerWaalsContact CE2-CB 3.43Å; F71-F88 HydrophobicContact CE2-CG 4.44Å; F71-F88 HydrophobicContact CG-CB 3.49Å; F71-F88 VanDerWaalsContact CG-CB 3.49Å; F71-F88 HydrophobicContact CG-CD1 4.18Å; F71-F88 HydrophobicContact CG-CD2 4.28Å; F71-F88 AromaticContact CG-CG 3.72Å; F71-F88 HydrophobicContact CG-CG 3.72Å; F71-F88 HydrophobicContact CZ-CB 3.58Å; F88-A90 HydrophobicContact CE1-CB 3.93Å; F88-A90 HydrophobicContact CZ-CB 3.88Å; F88-C108 WeakPolarHBondContact CA-O 3.23Å; F88-C108 VanDerWaalsContact CD2-O 3.26Å; F88-C108 WeakPolarHBondContact CD2-O 3.26Å; F88-A109 HydrophobicContact CB-CB 4.35Å; F88-A109 HydrophobicContact CD2-CB 4.22Å |
| 89 | E | 98.6 | Very high | 95.2 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 26% | 0.262 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133.6 | 168.6 | -69.5 | -67.3 | 173.9 | 0 | 0 | 109.3 | G107 C108 Q122 L124 I151 L153 | E89-G107 VanDerWaalsContact O-CA 3.3Å; E89-G107 WeakPolarHBondContact O-CA 3.34Å; E89-C108 PolarHBondContact N-O 2.98Å; E89-C108 VanDerWaalsContact N-O 3.1Å; E89-C108 PolarHBondContact O-N 3.44Å; E89-Q122 PolarHBondContact OE1-NE2 3.14Å; E89-L124 HydrophobicContact CB-CD1 3.73Å; E89-L124 HydrophobicContact CG-CB 4.25Å; E89-L124 HydrophobicContact CG-CD1 4.01Å; E89-L124 HydrophobicContact CG-CD2 4.39Å; E89-L124 HydrophobicContact CG-CG 4.42Å; E89-I151 HydrophobicContact CB-CD1 4.06Å; E89-I151 WeakPolarHBondContact O-CD1 3.49Å; E89-L153 HydrophobicContact CB-CD1 4.28Å; E89-L153 HydrophobicContact CG-CD1 3.7Å |
| 90 | A | 97.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 60 Ų | 60 | 13% | 0.132 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 155.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | T68 F88 A94 V105 | T68-A90 WeakPolarHBondContact OG1-CB 3.42Å; F88-A90 HydrophobicContact CE1-CB 3.93Å; F88-A90 HydrophobicContact CZ-CB 3.88Å; A90-A94 HydrophobicContact CB-CB 3.81Å; A90-V105 HydrophobicContact CB-CB 4.5Å; A90-V105 HydrophobicContact CB-CG1 4.1Å |
| 91 | K | 96.6 | Very high | 94.6 | Very high | 10 Ų | 10 | 58 Ų | 58 | 4% | 0.043 | 31% | 0.314 | C | S | . | . | trans | -53.5 | 147.7 | 170.9 | -75.3 | 174.4 | 179.9 | 158.7 | 0 | 111.4 | R93 A94 V105 D106 D149 | K91-R93 HydrophobicContact CB-CG 4.47Å; K91-R93 VanDerWaalsContact CD-NH1 3.27Å; K91-R93 PolarHBondContact O-N 3.19Å; K91-A94 VanDerWaalsContact O-CB 3.32Å; K91-A94 WeakPolarHBondContact O-CB 3.34Å; K91-A94 PolarHBondContact O-N 2.94Å; K91-V105 HydrophobicContact CB-CG1 4.11Å; K91-D106 WeakPolarHBondContact CE-OD2 3.41Å; K91-D106 WeakPolarHBondContact CG-O 3.37Å; K91-D106 PolarHBondContact N-O 2.86Å; K91-D106 IonicContact NZ-OD1 3.21Å; K91-D106 PolarHBondContact NZ-OD1 3.11Å; K91-D106 IonicContact NZ-OD2 2.83Å; K91-D106 PolarHBondContact NZ-OD2 2.96Å; K91-D149 WeakPolarHBondContact CB-O 3.23Å | ||
| 92 | S | 92.5 | Very high | 94.3 | Very high | 17 Ų | 17 | 55.3 Ų | 55.3 | 12% | 0.119 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -56.8 | -25.9 | -167.6 | -67.3 | 0 | 0 | 0 | 0 | 114.6 | A94 K95 E126 D149 | S92-A94 PolarHBondContact O-N 3.45Å; S92-A94 VanDerWaalsContact O-N 3.14Å; S92-K95 WeakPolarHBondContact O-CB 3.34Å; S92-K95 PolarHBondContact O-N 3.47Å; S92-K95 VanDerWaalsContact O-N 3.13Å; S92-E126 WeakPolarHBondContact CB-OE1 3.46Å; S92-E126 WeakPolarHBondContact OG-CG 3.36Å; S92-E126 PolarHBondContact OG-OE1 2.8Å; S92-D149 PolarHBondContact N-O 3.47Å |
| 93 | R | 91 | Very high | 94.2 | Very high | 48 Ų | 48 | 54.9 Ų | 54.9 | 18% | 0.181 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -56.4 | -26.4 | 175.2 | 67 | 178.8 | 176.9 | -103.4 | 3.1 | 113.8 | K91 K95 T96 M97 V105 D106 D149 | K91-R93 HydrophobicContact CB-CG 4.47Å; K91-R93 VanDerWaalsContact CD-NH1 3.27Å; K91-R93 PolarHBondContact O-N 3.19Å; R93-K95 PolarHBondContact O-N 3.01Å; R93-T96 PolarHBondContact O-N 3.03Å; R93-T96 VanDerWaalsContact O-N 3.09Å; R93-T96 PolarHBondContact O-OG1 3.18Å; R93-M97 HydrophobicContact CB-SD 4.41Å; R93-M97 HydrophobicContact CG-SD 4.1Å; R93-M97 WeakPolarHBondContact O-CG 3.35Å; R93-M97 PolarHBondContact O-N 3.28Å; R93-V105 HydrophobicContact CG-CG1 3.88Å; R93-V105 HydrophobicContact CG-CG2 4.31Å; R93-D106 IonicContact CZ-OD1 3.65Å; R93-D106 IonicContact NH2-OD1 3.69Å; R93-D106 PolarHBondContact NH2-OD1 3.31Å; R93-D149 HydrophobicContact CB-CB 4.47Å; R93-D149 WeakPolarHBondContact CB-OD2 3.41Å; R93-D149 WeakPolarHBondContact CD-OD2 3.39Å; R93-D149 WeakPolarHBondContact CG-OD2 3.46Å; R93-D149 IonicContact CZ-OD2 3.97Å; R93-D149 IonicContact NE-OD2 3.44Å; R93-D149 IonicContact NH1-OD1 3.66Å; R93-D149 IonicContact NH1-OD2 3.57Å; R93-D149 PolarHBondContact NH1-OD2 2.67Å |
| 94 | A | 88.4 | Confident | 94 | Very high | 9 Ų | 9 | 58.8 Ų | 58.8 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -52.3 | -30.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A90 K91 S92 T96 R102 V105 | A90-A94 HydrophobicContact CB-CB 3.81Å; K91-A94 VanDerWaalsContact O-CB 3.32Å; K91-A94 WeakPolarHBondContact O-CB 3.34Å; K91-A94 PolarHBondContact O-N 2.94Å; S92-A94 PolarHBondContact O-N 3.45Å; S92-A94 VanDerWaalsContact O-N 3.14Å; A94-T96 VanDerWaalsContact C-N 3.34Å; A94-T96 PolarHBondContact O-N 3.21Å; A94-R102 HydrophobicContact CB-CG 3.93Å; A94-R102 PolarHBondContact O-NE 2.89Å; A94-V105 HydrophobicContact CB-CB 4.21Å; A94-V105 HydrophobicContact CB-CG1 4.01Å; A94-V105 HydrophobicContact CB-CG2 4.34Å |
| 95 | K | 89.8 | Confident | 93.9 | Very high | 130 Ų | 130 | 58.4 Ų | 58.4 | 57% | 0.565 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -70.6 | -25.8 | -177.6 | -65.2 | 179.2 | 176.5 | 178.6 | 0 | 113.9 | S92 R93 E126 | S92-K95 WeakPolarHBondContact O-CB 3.34Å; S92-K95 PolarHBondContact O-N 3.47Å; S92-K95 VanDerWaalsContact O-N 3.13Å; R93-K95 PolarHBondContact O-N 3.01Å; K95-E126 WeakPolarHBondContact CE-OE1 3.42Å; K95-E126 IonicContact NZ-OE1 2.74Å; K95-E126 PolarHBondContact NZ-OE1 3.43Å; K95-E126 IonicContact NZ-OE2 2.73Å; K95-E126 PolarHBondContact NZ-OE2 3.3Å |
| 96 | T | 89.5 | Confident | 93.9 | Very high | 130 Ų | 130 | 56.8 Ų | 56.8 | 80% | 0.798 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -6.3 | -178 | 57.1 | 0 | 0 | 0 | 0 | 113.1 | R93 A94 | R93-T96 PolarHBondContact O-N 3.03Å; R93-T96 VanDerWaalsContact O-N 3.09Å; R93-T96 PolarHBondContact O-OG1 3.18Å; A94-T96 VanDerWaalsContact C-N 3.34Å; A94-T96 PolarHBondContact O-N 3.21Å |
| 97 | M | 90.6 | Very high | 93.9 | Very high | 42 Ų | 42 | 56 Ų | 56 | 21% | 0.207 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -89 | 153.6 | 179.1 | -65.8 | 178.1 | 87.2 | 0 | 0 | 111.9 | R93 E101 R102 V105 | R93-M97 HydrophobicContact CB-SD 4.41Å; R93-M97 HydrophobicContact CG-SD 4.1Å; R93-M97 WeakPolarHBondContact O-CG 3.35Å; R93-M97 PolarHBondContact O-N 3.28Å; M97-E101 HydrophobicContact CB-CB 4.42Å; M97-E101 HydrophobicContact CE-CB 3.54Å; M97-E101 HydrophobicContact CE-CG 4.36Å; M97-E101 WeakPolarHBondContact CE-OE2 3.4Å; M97-R102 PolarHBondContact O-NH2 2.82Å; M97-V105 HydrophobicContact CE-CG2 4.46Å; M97-V105 HydrophobicContact SD-CG2 3.52Å; M97-V105 VanDerWaalsContact SD-CG2 3.52Å |
| 98 | G | 91.8 | Very high | 93.9 | Very high | 43 Ų | 43 | 55.4 Ų | 55.4 | 44% | 0.443 | 27% | 0.273 | S | S | . | . | trans | -64 | 161.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E100 E101 R102 | G98-E100 VanDerWaalsContact C-N 3.34Å; G98-E100 PolarHBondContact O-N 2.71Å; G98-E101 PolarHBondContact O-N 3.03Å; G98-R102 WeakPolarHBondContact O-CB 3.46Å; G98-R102 PolarHBondContact O-N 2.63Å | ||
| 99 | E | 89.2 | Confident | 93.9 | Very high | 149 Ų | 149 | 54 Ų | 54 | 70% | 0.696 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.1 | -38.8 | -172.6 | -67.5 | -171.1 | 158.9 | 0 | 0 | 113.9 | ||
| 100 | E | 91.4 | Very high | 93.9 | Very high | 114 Ų | 114 | 51.4 Ų | 51.4 | 53% | 0.533 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.6 | -46.1 | 179.5 | -69.6 | -55.2 | 126.8 | 0 | 0 | 112.2 | G98 R102 K103 Y104 | G98-E100 VanDerWaalsContact C-N 3.34Å; G98-E100 PolarHBondContact O-N 2.71Å; E100-R102 VanDerWaalsContact C-N 3.3Å; E100-R102 PolarHBondContact O-N 3.19Å; E100-K103 WeakPolarHBondContact O-CB 3.27Å; E100-K103 PolarHBondContact O-N 3.49Å; E100-K103 IonicContact OE1-NZ 3.72Å; E100-K103 PolarHBondContact OE1-NZ 2.8Å; E100-K103 IonicContact OE2-NZ 2.62Å; E100-K103 PolarHBondContact OE2-NZ 2.8Å; E100-Y104 WeakPolarHBondContact O-CD2 3.49Å; E100-Y104 WeakPolarHBondContact O-CE2 3.41Å |
| 101 | E | 91.2 | Very high | 94 | Very high | 114 Ų | 114 | 50.7 Ų | 50.7 | 53% | 0.533 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -70.2 | -30.8 | 179.6 | -56.5 | -179.1 | 148.2 | 0 | 0 | 112.1 | M97 G98 K103 Y104 | M97-E101 HydrophobicContact CB-CB 4.42Å; M97-E101 HydrophobicContact CE-CB 3.54Å; M97-E101 HydrophobicContact CE-CG 4.36Å; M97-E101 WeakPolarHBondContact CE-OE2 3.4Å; G98-E101 PolarHBondContact O-N 3.03Å; E101-K103 PolarHBondContact O-N 2.83Å; E101-Y104 PolarHBondContact O-N 2.88Å; E101-Y104 VanDerWaalsContact O-N 3.14Å |
| 102 | R | 93.1 | Very high | 94.1 | Very high | 90 Ų | 90 | 50.8 Ų | 50.8 | 34% | 0.34 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.5 | -31.1 | 177.8 | -171.8 | -177 | -62.8 | 148.3 | 6.5 | 112.2 | T68 A94 M97 G98 E100 Y104 V105 | T68-R102 WeakPolarHBondContact CB-O 3.23Å; T68-R102 PolarHBondContact OG1-O 2.99Å; A94-R102 HydrophobicContact CB-CG 3.93Å; A94-R102 PolarHBondContact O-NE 2.89Å; M97-R102 PolarHBondContact O-NH2 2.82Å; G98-R102 WeakPolarHBondContact O-CB 3.46Å; G98-R102 PolarHBondContact O-N 2.63Å; E100-R102 VanDerWaalsContact C-N 3.3Å; E100-R102 PolarHBondContact O-N 3.19Å; R102-Y104 PolarHBondContact O-N 3.31Å; R102-V105 PolarHBondContact O-N 2.88Å; R102-V105 VanDerWaalsContact O-N 3.14Å |
| 103 | K | 94.1 | Very high | 94.4 | Very high | 55 Ų | 55 | 51.6 Ų | 51.6 | 24% | 0.239 | 25% | 0.25 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -32.9 | 178 | -69.8 | 175.1 | -171.7 | 170.4 | 0 | 112.8 | T68 E69 E100 E101 | T68-K103 WeakPolarHBondContact CB-O 3.41Å; T68-K103 PolarHBondContact N-O 3.35Å; E69-K103 HydrophobicContact CB-CB 3.94Å; E69-K103 HydrophobicContact CB-CG 4.44Å; E69-K103 PolarHBondContact N-O 3.17Å; E100-K103 WeakPolarHBondContact O-CB 3.27Å; E100-K103 PolarHBondContact O-N 3.49Å; E100-K103 IonicContact OE1-NZ 3.72Å; E100-K103 PolarHBondContact OE1-NZ 2.8Å; E100-K103 IonicContact OE2-NZ 2.62Å; E100-K103 PolarHBondContact OE2-NZ 2.8Å; E101-K103 PolarHBondContact O-N 2.83Å |
| 104 | Y | 95.1 | Very high | 94.7 | Very high | 111 Ų | 111 | 52.2 Ų | 52.2 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | 7 | -176.7 | -50.7 | -74.1 | 0 | 0 | 0 | 113 | E100 E101 R102 D106 | E100-Y104 WeakPolarHBondContact O-CD2 3.49Å; E100-Y104 WeakPolarHBondContact O-CE2 3.41Å; E101-Y104 PolarHBondContact O-N 2.88Å; E101-Y104 VanDerWaalsContact O-N 3.14Å; R102-Y104 PolarHBondContact O-N 3.31Å; Y104-D106 PolarHBondContact O-N 2.86Å |
| 105 | V | 96.9 | Very high | 95.1 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | trans | -77.4 | 121.8 | 171.9 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | T68 A90 K91 R93 A94 M97 R102 | T68-V105 PolarHBondContact N-O 2.82Å; T68-V105 PolarHBondContact OG1-O 2.82Å; A90-V105 HydrophobicContact CB-CB 4.5Å; A90-V105 HydrophobicContact CB-CG1 4.1Å; K91-V105 HydrophobicContact CB-CG1 4.11Å; R93-V105 HydrophobicContact CG-CG1 3.88Å; R93-V105 HydrophobicContact CG-CG2 4.31Å; A94-V105 HydrophobicContact CB-CB 4.21Å; A94-V105 HydrophobicContact CB-CG1 4.01Å; A94-V105 HydrophobicContact CB-CG2 4.34Å; M97-V105 HydrophobicContact CE-CG2 4.46Å; M97-V105 HydrophobicContact SD-CG2 3.52Å; M97-V105 VanDerWaalsContact SD-CG2 3.52Å; R102-V105 PolarHBondContact O-N 2.88Å; R102-V105 VanDerWaalsContact O-N 3.14Å | ||
| 106 | D | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 162.3 | 175.6 | 78.2 | -66.3 | 0 | 0 | 0 | 112.4 | C23 V66 K91 R93 Y104 | C23-D106 HydrophobicContact CB-CB 4.07Å; V66-D106 CarbonylContact O-C 3.47Å; V66-D106 VanDerWaalsContact O-CA 3.25Å; V66-D106 WeakPolarHBondContact O-CA 3.25Å; K91-D106 WeakPolarHBondContact CE-OD2 3.41Å; K91-D106 WeakPolarHBondContact CG-O 3.37Å; K91-D106 PolarHBondContact N-O 2.86Å; K91-D106 IonicContact NZ-OD1 3.21Å; K91-D106 PolarHBondContact NZ-OD1 3.11Å; K91-D106 IonicContact NZ-OD2 2.83Å; K91-D106 PolarHBondContact NZ-OD2 2.96Å; R93-D106 IonicContact CZ-OD1 3.65Å; R93-D106 IonicContact NH2-OD1 3.69Å; R93-D106 PolarHBondContact NH2-OD1 3.31Å; Y104-D106 PolarHBondContact O-N 2.86Å |
| 107 | G | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -167 | -157.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E65 V66 E89 | E65-G107 PolarHBondContact N-O 3.41Å; V66-G107 PolarHBondContact N-O 3.02Å; V66-G107 VanDerWaalsContact N-O 3.14Å; V66-G107 PolarHBondContact O-N 2.87Å; E89-G107 VanDerWaalsContact O-CA 3.3Å; E89-G107 WeakPolarHBondContact O-CA 3.34Å |
| 108 | C | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 144.4 | -179.6 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | L63 F88 E89 L153 T189 | L63-C108 CarbonylContact O-C 3.58Å; L63-C108 VanDerWaalsContact O-CA 3.28Å; L63-C108 WeakPolarHBondContact O-CA 3.31Å; F88-C108 WeakPolarHBondContact CA-O 3.23Å; F88-C108 VanDerWaalsContact CD2-O 3.26Å; F88-C108 WeakPolarHBondContact CD2-O 3.26Å; E89-C108 PolarHBondContact N-O 2.98Å; E89-C108 VanDerWaalsContact N-O 3.1Å; E89-C108 PolarHBondContact O-N 3.44Å; C108-L153 HydrophobicContact CB-CB 4.2Å; C108-L153 VanDerWaalsContact O-CD2 3.23Å; C108-L153 WeakPolarHBondContact O-CD2 3.28Å; C108-T189 HydrophobicContact CB-CG2 3.75Å |
| 109 | A | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 147 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T62 L63 V66 F71 I87 F88 F111 | T62-A109 CarbonylContact C-O 3.5Å; T62-A109 WeakPolarHBondContact CA-O 3.37Å; L63-A109 HydrophobicContact CB-CB 4.39Å; L63-A109 PolarHBondContact N-O 2.91Å; L63-A109 PolarHBondContact O-N 2.87Å; V66-A109 HydrophobicContact CG2-CB 4.18Å; F71-A109 HydrophobicContact CD2-CB 4.12Å; F71-A109 HydrophobicContact CE2-CB 4.14Å; I87-A109 CarbonylContact O-C 3.58Å; I87-A109 VanDerWaalsContact O-CA 3.23Å; I87-A109 WeakPolarHBondContact O-CA 3.39Å; F88-A109 HydrophobicContact CB-CB 4.35Å; F88-A109 HydrophobicContact CD2-CB 4.22Å; A109-F111 HydrophobicContact CB-CD2 4.32Å; A109-F111 HydrophobicContact CB-CE2 3.63Å; A109-F111 HydrophobicContact CB-CZ 4.29Å |
| 110 | I | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.3 | 170 | -56.4 | 177.7 | 0 | 0 | 0 | 107.8 | V60 I61 T62 G86 I87 W112 L153 A155 V187 T189 | V60-I110 HydrophobicContact CG1-CG2 4.48Å; I61-I110 CarbonylContact O-C 3.57Å; I61-I110 WeakPolarHBondContact O-CA 3.29Å; T62-I110 HydrophobicContact CG2-CG1 4.36Å; G86-I110 CarbonylContact C-O 3.43Å; G86-I110 WeakPolarHBondContact CA-O 3.43Å; I87-I110 HydrophobicContact CG1-CB 4.06Å; I87-I110 PolarHBondContact N-O 3.01Å; I87-I110 PolarHBondContact O-N 2.83Å; I110-W112 HydrophobicContact CG2-CE3 4.46Å; I110-L153 HydrophobicContact CD1-CG 4.1Å; I110-L153 HydrophobicContact CG1-CD2 4.22Å; I110-L153 HydrophobicContact CG1-CG 4.3Å; I110-A155 HydrophobicContact CD1-CB 4.12Å; I110-A155 HydrophobicContact CG2-CB 4.44Å; I110-V187 HydrophobicContact CD1-CG1 4.39Å; I110-V187 WeakPolarHBondContact CD1-O 3.42Å; I110-V187 HydrophobicContact CG2-CG1 4.24Å; I110-T189 HydrophobicContact CD1-CG2 3.99Å; I110-T189 HydrophobicContact CG1-CG2 3.63Å |
| 111 | F | 98.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 150.6 | 171.3 | -59.2 | -94.9 | 0 | 0 | 0 | 110.7 | V60 I61 L63 F71 F75 L79 Y84 A85 A109 | V60-F111 CarbonylContact C-O 3.54Å; V60-F111 WeakPolarHBondContact CA-O 3.48Å; I61-F111 HydrophobicContact CB-CB 4.22Å; I61-F111 PolarHBondContact N-O 2.84Å; I61-F111 PolarHBondContact O-N 2.97Å; L63-F111 HydrophobicContact CD1-CD2 4.43Å; L63-F111 HydrophobicContact CD1-CE2 3.98Å; F71-F111 HydrophobicContact CD2-CE2 4.49Å; F71-F111 AromaticContact CD2-CZ 3.75Å; F71-F111 HydrophobicContact CD2-CZ 3.75Å; F71-F111 AromaticContact CE2-CE1 3.78Å; F71-F111 HydrophobicContact CE2-CE1 3.78Å; F71-F111 HydrophobicContact CE2-CE2 4.17Å; F71-F111 AromaticContact CE2-CZ 3.35Å; F71-F111 HydrophobicContact CE2-CZ 3.35Å; F71-F111 HydrophobicContact CZ-CE1 4.46Å; F71-F111 HydrophobicContact CZ-CZ 4.4Å; F75-F111 HydrophobicContact CB-CE2 4.39Å; F75-F111 HydrophobicContact CB-CZ 3.75Å; L79-F111 HydrophobicContact CB-CD1 4.11Å; L79-F111 HydrophobicContact CB-CE1 4.29Å; L79-F111 HydrophobicContact CD1-CB 4.33Å; L79-F111 HydrophobicContact CD1-CD1 3.55Å; L79-F111 HydrophobicContact CD1-CD2 3.67Å; L79-F111 HydrophobicContact CD1-CE1 3.64Å; L79-F111 HydrophobicContact CD1-CE2 3.74Å; L79-F111 HydrophobicContact CD1-CG 3.58Å; L79-F111 HydrophobicContact CD1-CZ 3.72Å; L79-F111 HydrophobicContact CG-CD1 4.49Å; Y84-F111 HydrophobicContact CD1-CB 4.09Å; A85-F111 CarbonylContact O-C 3.52Å; A85-F111 WeakPolarHBondContact O-CA 3.31Å; A109-F111 HydrophobicContact CB-CD2 4.32Å; A109-F111 HydrophobicContact CB-CE2 3.63Å; A109-F111 HydrophobicContact CB-CZ 4.29Å |
| 112 | W | 98.9 | Very high | 97.7 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 5% | 0.049 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 148.5 | 175.6 | 63.6 | 90.1 | 0 | 0 | 0 | 111.2 | D59 V60 Y84 A85 I87 I110 V114 F117 M119 L157 | D59-W112 CarbonylContact O-C 3.46Å; D59-W112 VanDerWaalsContact O-CA 3.29Å; D59-W112 WeakPolarHBondContact O-CA 3.45Å; V60-W112 HydrophobicContact CG2-CB 4.49Å; Y84-W112 VanDerWaalsContact CA-O 3.24Å; Y84-W112 WeakPolarHBondContact CA-O 3.18Å; Y84-W112 VanDerWaalsContact CD1-C 3.47Å; A85-W112 HydrophobicContact CB-CD2 4.45Å; A85-W112 HydrophobicContact CB-CH2 4.16Å; A85-W112 HydrophobicContact CB-CZ2 3.47Å; A85-W112 VanDerWaalsContact CB-CZ2 3.47Å; A85-W112 PolarHBondContact N-O 3.29Å; A85-W112 PolarHBondContact O-N 2.73Å; I87-W112 HydrophobicContact CG1-CZ3 4.21Å; I87-W112 HydrophobicContact CG2-CH2 3.95Å; I87-W112 HydrophobicContact CG2-CZ3 4.12Å; I110-W112 HydrophobicContact CG2-CE3 4.46Å; W112-V114 PolarHBondContact O-N 3.36Å; W112-F117 HydrophobicContact CB-CB 4.37Å; W112-F117 HydrophobicContact CB-CD2 4.23Å; W112-F117 VanDerWaalsContact CD1-O 3.28Å; W112-F117 HydrophobicContact CG-CB 4.24Å; W112-F117 PolarHBondContact NE1-O 3.27Å; W112-M119 HydrophobicContact CH2-CB 3.65Å; W112-M119 HydrophobicContact CH2-CG 4.07Å; W112-M119 HydrophobicContact CH2-SD 3.8Å; W112-M119 HydrophobicContact CZ2-CB 3.34Å; W112-M119 HydrophobicContact CZ2-CG 4.26Å; W112-M119 HydrophobicContact CZ2-SD 4.39Å; W112-L157 HydrophobicContact CB-CD1 3.97Å; W112-L157 HydrophobicContact CD2-CD2 3.79Å; W112-L157 HydrophobicContact CE3-CD2 4Å; W112-L157 HydrophobicContact CG-CD1 4.26Å; W112-L157 HydrophobicContact CG-CD2 4.05Å |
| 113 | K | 98.7 | Very high | 98 | Very high | 33 Ų | 33 | 36.4 Ų | 36.4 | 14% | 0.143 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 122.5 | 172.6 | -74.4 | -67.3 | -158.7 | -169.6 | 0 | 110.8 | D59 L82 Y84 D115 K116 F117 | D59-K113 PolarHBondContact O-N 3.18Å; L82-K113 PolarHBondContact O-NZ 2.71Å; Y84-K113 HydrophobicContact CD1-CD 4.11Å; Y84-K113 HydrophobicContact CD1-CG 4.2Å; Y84-K113 HydrophobicContact CD2-CD 4.13Å; Y84-K113 HydrophobicContact CE1-CD 3.73Å; Y84-K113 HydrophobicContact CE1-CG 3.71Å; Y84-K113 HydrophobicContact CE2-CD 3.79Å; Y84-K113 HydrophobicContact CG-CD 4.29Å; Y84-K113 WeakPolarHBondContact OH-CE 3.3Å; Y84-K113 PolarHBondContact OH-NZ 3.01Å; K113-D115 VanDerWaalsContact C-N 3.28Å; K113-D115 WeakPolarHBondContact CB-OD1 3.23Å; K113-D115 PolarHBondContact O-N 3.14Å; K113-K116 HydrophobicContact CB-CB 4.39Å; K113-K116 PolarHBondContact O-N 2.99Å; K113-F117 PolarHBondContact O-N 3.39Å |
| 114 | V | 98.3 | Very high | 98.2 | Very high | 62 Ų | 62 | 36.1 Ų | 36.1 | 38% | 0.376 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -17.8 | -172.4 | -56.9 | 0 | 0 | 0 | 0 | 114.1 | G83 A85 W112 K160 | G83-V114 WeakPolarHBondContact O-CG2 3.26Å; G83-V114 PolarHBondContact O-N 3.42Å; A85-V114 HydrophobicContact CB-CG1 3.61Å; W112-V114 PolarHBondContact O-N 3.36Å; V114-K160 WeakPolarHBondContact O-CD 3.17Å; V114-K160 PolarHBondContact O-NZ 3.24Å |
| 115 | D | 96.9 | Very high | 98.3 | Very high | 82 Ų | 82 | 30.9 Ų | 30.9 | 44% | 0.439 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -27.3 | 174.4 | 63.8 | -22.1 | 0 | 0 | 0 | 112 | K113 K160 S162 | K113-D115 VanDerWaalsContact C-N 3.28Å; K113-D115 WeakPolarHBondContact CB-OD1 3.23Å; K113-D115 PolarHBondContact O-N 3.14Å; D115-K160 WeakPolarHBondContact O-CB 3.41Å; D115-S162 WeakPolarHBondContact O-CB 3.41Å; D115-S162 PolarHBondContact O-OG 3.12Å |
| 116 | K | 97.5 | Very high | 98.3 | Very high | 25 Ų | 25 | 32.3 Ų | 32.3 | 11% | 0.109 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -28.5 | 178.7 | -70.5 | -172.2 | 178.3 | -177.4 | 0 | 114.3 | D59 K113 K160 V163 | D59-K116 HydrophobicContact CB-CD 4.14Å; D59-K116 VanDerWaalsContact OD1-CD 3.25Å; D59-K116 WeakPolarHBondContact OD1-CD 3.33Å; D59-K116 VanDerWaalsContact OD1-CE 3.28Å; D59-K116 WeakPolarHBondContact OD1-CE 3.29Å; D59-K116 IonicContact OD1-NZ 2.71Å; D59-K116 PolarHBondContact OD1-NZ 3.26Å; D59-K116 IonicContact OD2-NZ 2.79Å; D59-K116 PolarHBondContact OD2-NZ 3.23Å; K113-K116 HydrophobicContact CB-CB 4.39Å; K113-K116 PolarHBondContact O-N 2.99Å; K116-K160 WeakPolarHBondContact O-CB 3.34Å; K116-K160 PolarHBondContact O-N 2.88Å; K116-V163 HydrophobicContact CB-CG1 3.99Å; K116-V163 HydrophobicContact CD-CG1 4.41Å; K116-V163 HydrophobicContact CG-CG1 4.25Å |
| 117 | F | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 143.8 | -176.3 | -51.2 | -80.3 | 0 | 0 | 0 | 113.1 | F14 D59 V60 W112 K113 L157 K158 I159 V163 L185 | F14-F117 HydrophobicContact CB-CE2 4.4Å; F14-F117 HydrophobicContact CB-CZ 3.89Å; F14-F117 HydrophobicContact CD2-CZ 4.12Å; F14-F117 AromaticContact CG-CZ 3.93Å; F14-F117 HydrophobicContact CG-CZ 3.93Å; D59-F117 HydrophobicContact CB-CE2 4.1Å; V60-F117 HydrophobicContact CG2-CD2 4.34Å; V60-F117 HydrophobicContact CG2-CE2 3.91Å; V60-F117 HydrophobicContact CG2-CZ 4.37Å; W112-F117 HydrophobicContact CB-CB 4.37Å; W112-F117 HydrophobicContact CB-CD2 4.23Å; W112-F117 VanDerWaalsContact CD1-O 3.28Å; W112-F117 HydrophobicContact CG-CB 4.24Å; W112-F117 PolarHBondContact NE1-O 3.27Å; K113-F117 PolarHBondContact O-N 3.39Å; F117-L157 HydrophobicContact CB-CB 4.2Å; F117-L157 HydrophobicContact CB-CD1 4.27Å; F117-L157 HydrophobicContact CD1-CB 4.25Å; F117-L157 HydrophobicContact CD1-CD1 4.5Å; F117-L157 HydrophobicContact CG-CB 4.47Å; F117-L157 HydrophobicContact CG-CD1 4.25Å; F117-K158 WeakPolarHBondContact CA-O 3.33Å; F117-I159 HydrophobicContact CD1-CG1 4.27Å; F117-I159 HydrophobicContact CE1-CG1 4.08Å; F117-V163 HydrophobicContact CE1-CG1 4.16Å; F117-V163 HydrophobicContact CZ-CG1 4.12Å; F117-L185 HydrophobicContact CD1-CD2 4.36Å; F117-L185 HydrophobicContact CE1-CD2 3.73Å; F117-L185 HydrophobicContact CZ-CD2 4.18Å |
| 118 | D | 98.3 | Very high | 98.1 | Very high | 72 Ų | 72 | 33.3 Ų | 33.3 | 39% | 0.385 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 138.3 | 165.5 | -64.9 | -43.1 | 0 | 0 | 0 | 109.1 | L157 K158 K160 | D118-L157 CarbonylContact O-C 3.58Å; D118-L157 WeakPolarHBondContact O-CA 3.25Å; D118-K158 PolarHBondContact N-O 2.84Å; D118-K158 PolarHBondContact O-N 2.64Å; D118-K160 IonicContact OD1-NZ 2.82Å; D118-K160 PolarHBondContact OD1-NZ 2.89Å; D118-K160 WeakPolarHBondContact OD2-CD 3.2Å; D118-K160 WeakPolarHBondContact OD2-CE 3.2Å; D118-K160 IonicContact OD2-NZ 3.42Å; D118-K160 PolarHBondContact OD2-NZ 2.98Å |
| 119 | M | 98.4 | Very high | 97.9 | Very high | 78 Ų | 78 | 35 Ų | 35 | 38% | 0.384 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 127.6 | 174.8 | 179.5 | -160.7 | 73.3 | 0 | 0 | 110.4 | I87 W112 Q122 L157 | I87-M119 HydrophobicContact CG2-SD 3.68Å; W112-M119 HydrophobicContact CH2-CB 3.65Å; W112-M119 HydrophobicContact CH2-CG 4.07Å; W112-M119 HydrophobicContact CH2-SD 3.8Å; W112-M119 HydrophobicContact CZ2-CB 3.34Å; W112-M119 HydrophobicContact CZ2-CG 4.26Å; W112-M119 HydrophobicContact CZ2-SD 4.39Å; M119-Q122 HydrophobicContact SD-CB 4.45Å; M119-L157 HydrophobicContact CB-CD2 4.16Å |
| 120 | D | 97.8 | Very high | 97.8 | Very high | 58 Ų | 58 | 35.6 Ų | 35.6 | 31% | 0.31 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | -48.4 | 174.9 | -173 | 26.6 | 0 | 0 | 0 | 111.3 | V156 K223 Y224 | D120-V156 HydrophobicContact CB-CB 4.39Å; D120-V156 HydrophobicContact CB-CG1 4.21Å; D120-V156 WeakPolarHBondContact CB-O 3.16Å; D120-V156 PolarHBondContact N-O 2.87Å; D120-K223 IonicContact OD1-NZ 3.67Å; D120-K223 PolarHBondContact OD1-NZ 2.89Å; D120-K223 WeakPolarHBondContact OD2-CE 3.42Å; D120-K223 IonicContact OD2-NZ 2.67Å; D120-K223 PolarHBondContact OD2-NZ 3.08Å; D120-Y224 PolarHBondContact OD2-OH 3.26Å |
| 121 | K | 98.4 | Very high | 97.5 | Very high | 80 Ų | 80 | 35.6 Ų | 35.6 | 35% | 0.348 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.9 | 149.2 | -178.2 | -167.5 | 159.4 | 169.9 | -174.9 | 0 | 112.3 | Y123 V156 E219 | K121-Y123 HydrophobicContact CB-CE2 4.06Å; K121-Y123 HydrophobicContact CD-CE1 4.28Å; K121-Y123 HydrophobicContact CD-CE2 4.07Å; K121-Y123 VanDerWaalsContact CD-OH 3.31Å; K121-Y123 WeakPolarHBondContact CD-OH 3.36Å; K121-Y123 WeakPolarHBondContact CE-OH 3.46Å; K121-Y123 HydrophobicContact CG-CD2 4.43Å; K121-Y123 HydrophobicContact CG-CE2 3.74Å; K121-V156 PolarHBondContact N-O 3.33Å; K121-V156 PolarHBondContact O-N 3.2Å; K121-E219 IonicContact NZ-OE1 3.52Å; K121-E219 PolarHBondContact NZ-OE1 2.87Å; K121-E219 IonicContact NZ-OE2 2.68Å; K121-E219 PolarHBondContact NZ-OE2 2.99Å |
| 122 | Q | 98.5 | Very high | 97.2 | Very high | 75 Ų | 75 | 40.6 Ų | 40.6 | 35% | 0.35 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 154 | 170.6 | 72.5 | 176.9 | 54.7 | 0 | 0 | 111.8 | I87 E89 M119 C154 | I87-Q122 HydrophobicContact CD1-CB 3.67Å; I87-Q122 VanDerWaalsContact CG2-OE1 3.22Å; E89-Q122 PolarHBondContact OE1-NE2 3.14Å; M119-Q122 HydrophobicContact SD-CB 4.45Å; Q122-C154 CarbonylContact C-O 3.53Å; Q122-C154 VanDerWaalsContact CA-O 3.28Å; Q122-C154 WeakPolarHBondContact CA-O 3.35Å |
| 123 | Y | 98.7 | Very high | 96.9 | Very high | 19 Ų | 19 | 48.4 Ų | 48.4 | 8% | 0.075 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 133.7 | 175.5 | -57.3 | -98.5 | 0 | 0 | 0 | 110.4 | K121 F125 C154 V156 V216 E219 | K121-Y123 HydrophobicContact CB-CE2 4.06Å; K121-Y123 HydrophobicContact CD-CE1 4.28Å; K121-Y123 HydrophobicContact CD-CE2 4.07Å; K121-Y123 VanDerWaalsContact CD-OH 3.31Å; K121-Y123 WeakPolarHBondContact CD-OH 3.36Å; K121-Y123 WeakPolarHBondContact CE-OH 3.46Å; K121-Y123 HydrophobicContact CG-CD2 4.43Å; K121-Y123 HydrophobicContact CG-CE2 3.74Å; Y123-F125 HydrophobicContact CG-CE1 4.42Å; Y123-C154 PolarHBondContact N-O 3.34Å; Y123-C154 PolarHBondContact O-N 3.04Å; Y123-V156 HydrophobicContact CD2-CG2 4.48Å; Y123-V156 HydrophobicContact CE2-CG2 3.78Å; Y123-V216 HydrophobicContact CD1-CG2 3.89Å; Y123-V216 HydrophobicContact CD2-CG1 4.15Å; Y123-V216 HydrophobicContact CD2-CG2 3.79Å; Y123-V216 HydrophobicContact CE1-CG2 4.01Å; Y123-V216 HydrophobicContact CE2-CG1 3.76Å; Y123-V216 HydrophobicContact CE2-CG2 3.95Å; Y123-V216 HydrophobicContact CG-CG2 3.75Å; Y123-E219 WeakPolarHBondContact CE1-OE2 3.33Å; Y123-E219 PolarHBondContact OH-OE1 3Å; Y123-E219 PolarHBondContact OH-OE2 2.9Å |
| 124 | L | 98.5 | Very high | 96.6 | Very high | 49 Ų | 49 | 50 Ų | 50 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.4 | 169.8 | 174.4 | 60.3 | 0 | 0 | 0 | 109.3 | E89 E126 I151 | E89-L124 HydrophobicContact CB-CD1 3.73Å; E89-L124 HydrophobicContact CG-CB 4.25Å; E89-L124 HydrophobicContact CG-CD1 4.01Å; E89-L124 HydrophobicContact CG-CD2 4.39Å; E89-L124 HydrophobicContact CG-CG 4.42Å; L124-E126 HydrophobicContact CD1-CG 4.29Å; L124-E126 HydrophobicContact CD2-CG 3.73Å; L124-E126 HydrophobicContact CG-CG 3.76Å; L124-I151 HydrophobicContact CD1-CB 4.01Å; L124-I151 HydrophobicContact CD1-CD1 4Å; L124-I151 HydrophobicContact CD1-CG2 4.14Å |
| 125 | F | 98.2 | Very high | 96.2 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 91.6 | 175.3 | -51.7 | -30.5 | 0 | 0 | 0 | 109.3 | Y123 F127 I151 G152 C154 L209 E212 V213 V216 | Y123-F125 HydrophobicContact CG-CE1 4.42Å; F125-F127 HydrophobicContact CB-CE1 4.3Å; F125-F127 PolarHBondContact O-N 2.8Å; F125-I151 CarbonylContact O-C 3.55Å; F125-I151 WeakPolarHBondContact O-CA 3.1Å; F125-G152 PolarHBondContact N-O 2.9Å; F125-G152 PolarHBondContact O-N 3.47Å; F125-C154 HydrophobicContact CE1-CB 4.29Å; F125-C154 HydrophobicContact CE2-CB 3.57Å; F125-C154 HydrophobicContact CZ-CB 3.43Å; F125-C154 VanDerWaalsContact CZ-CB 3.43Å; F125-L209 HydrophobicContact CD2-CD1 3.82Å; F125-L209 HydrophobicContact CE2-CD1 4.17Å; F125-E212 HydrophobicContact CB-CB 4.48Å; F125-E212 HydrophobicContact CB-CG 4.45Å; F125-E212 HydrophobicContact CD1-CB 3.58Å; F125-E212 HydrophobicContact CD1-CG 3.99Å; F125-E212 HydrophobicContact CD2-CB 3.99Å; F125-E212 HydrophobicContact CE1-CB 3.66Å; F125-E212 HydrophobicContact CE1-CG 4.46Å; F125-E212 HydrophobicContact CE2-CB 4.04Å; F125-E212 HydrophobicContact CG-CB 3.76Å; F125-E212 HydrophobicContact CG-CG 4.19Å; F125-E212 HydrophobicContact CZ-CB 3.87Å; F125-V213 HydrophobicContact CE2-CG2 3.87Å; F125-V213 HydrophobicContact CZ-CG2 4.4Å; F125-V216 HydrophobicContact CE1-CG2 4.04Å; F125-V216 HydrophobicContact CZ-CG2 3.88Å |
| 126 | E | 97.4 | Very high | 95.8 | Very high | 30 Ų | 30 | 46.1 Ų | 46.1 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 102.6 | 173.5 | -61.3 | -178 | 94.9 | 0 | 0 | 109.4 | S92 K95 L124 S128 S129 V130 I151 | S92-E126 WeakPolarHBondContact CB-OE1 3.46Å; S92-E126 WeakPolarHBondContact OG-CG 3.36Å; S92-E126 PolarHBondContact OG-OE1 2.8Å; K95-E126 WeakPolarHBondContact CE-OE1 3.42Å; K95-E126 IonicContact NZ-OE1 2.74Å; K95-E126 PolarHBondContact NZ-OE1 3.43Å; K95-E126 IonicContact NZ-OE2 2.73Å; K95-E126 PolarHBondContact NZ-OE2 3.3Å; L124-E126 HydrophobicContact CD1-CG 4.29Å; L124-E126 HydrophobicContact CD2-CG 3.73Å; L124-E126 HydrophobicContact CG-CG 3.76Å; E126-S128 PolarHBondContact O-N 3.03Å; E126-S129 WeakPolarHBondContact O-CA 3.47Å; E126-S129 WeakPolarHBondContact O-CB 3.39Å; E126-S129 PolarHBondContact O-N 3.05Å; E126-V130 WeakPolarHBondContact O-CG2 3.43Å; E126-V130 PolarHBondContact O-N 3.1Å; E126-I151 HydrophobicContact CG-CG2 4.43Å |
| 127 | F | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.2 | -35.1 | -173.6 | -59 | -46.3 | 0 | 0 | 0 | 112.6 | F125 S129 V130 A131 N150 A190 I192 Q205 M208 L209 | F125-F127 HydrophobicContact CB-CE1 4.3Å; F125-F127 PolarHBondContact O-N 2.8Å; F127-S129 VanDerWaalsContact C-N 3.34Å; F127-S129 PolarHBondContact O-N 2.86Å; F127-V130 PolarHBondContact O-N 2.78Å; F127-A131 VanDerWaalsContact O-CB 3.31Å; F127-A131 WeakPolarHBondContact O-CB 3.36Å; F127-A131 PolarHBondContact O-N 3.23Å; F127-N150 HydrophobicContact CD2-CB 3.87Å; F127-N150 VanDerWaalsContact CD2-O 3.28Å; F127-N150 WeakPolarHBondContact CD2-O 3.25Å; F127-N150 HydrophobicContact CE2-CB 4.27Å; F127-A190 HydrophobicContact CZ-CB 4.38Å; F127-I192 HydrophobicContact CE2-CD1 3.87Å; F127-I192 HydrophobicContact CZ-CD1 4.1Å; F127-Q205 HydrophobicContact CB-CG 4.11Å; F127-Q205 HydrophobicContact CD2-CB 3.99Å; F127-Q205 HydrophobicContact CD2-CG 3.85Å; F127-Q205 HydrophobicContact CE2-CB 4.23Å; F127-Q205 HydrophobicContact CG-CB 4.27Å; F127-Q205 HydrophobicContact CG-CG 4.07Å; F127-M208 HydrophobicContact CB-SD 4.06Å; F127-M208 HydrophobicContact CD1-CB 3.81Å; F127-M208 HydrophobicContact CE1-CB 4.3Å; F127-L209 HydrophobicContact CE1-CB 4.03Å; F127-L209 HydrophobicContact CZ-CB 4.19Å |
| 128 | S | 94.8 | Very high | 95.2 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 15% | 0.154 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -41 | 172.4 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | E126 M132 M146 | E126-S128 PolarHBondContact O-N 3.03Å; S128-M132 WeakPolarHBondContact O-CB 3.46Å; S128-M132 PolarHBondContact O-N 3.02Å; S128-M146 WeakPolarHBondContact CB-O 3.42Å |
| 129 | S | 94.8 | Very high | 95.1 | Very high | 36 Ų | 36 | 54.4 Ų | 54.4 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -71.7 | -35.9 | 175.9 | -66.7 | 0 | 0 | 0 | 0 | 112.3 | E126 F127 M132 K133 | E126-S129 WeakPolarHBondContact O-CA 3.47Å; E126-S129 WeakPolarHBondContact O-CB 3.39Å; E126-S129 PolarHBondContact O-N 3.05Å; F127-S129 VanDerWaalsContact C-N 3.34Å; F127-S129 PolarHBondContact O-N 2.86Å; S129-M132 PolarHBondContact O-N 2.88Å; S129-K133 WeakPolarHBondContact O-CB 3.31Å; S129-K133 VanDerWaalsContact O-CG 3.3Å; S129-K133 WeakPolarHBondContact O-CG 3.46Å; S129-K133 PolarHBondContact O-N 3.41Å |
| 130 | V | 95.2 | Very high | 94.8 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 7% | 0.067 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 173.9 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | E126 F127 M132 K133 K134 M208 E212 F275 | E126-V130 WeakPolarHBondContact O-CG2 3.43Å; E126-V130 PolarHBondContact O-N 3.1Å; F127-V130 PolarHBondContact O-N 2.78Å; V130-M132 VanDerWaalsContact C-N 3.35Å; V130-M132 PolarHBondContact O-N 3.2Å; V130-K133 PolarHBondContact O-N 3.04Å; V130-K134 HydrophobicContact CG1-CD 4.19Å; V130-K134 WeakPolarHBondContact O-CB 3.42Å; V130-K134 PolarHBondContact O-N 3.27Å; V130-M208 HydrophobicContact CB-CG 4.42Å; V130-M208 HydrophobicContact CB-SD 4.16Å; V130-M208 HydrophobicContact CG1-CB 4.13Å; V130-M208 HydrophobicContact CG1-CG 3.87Å; V130-M208 HydrophobicContact CG1-SD 4.17Å; V130-E212 HydrophobicContact CG2-CG 3.99Å; V130-F275 HydrophobicContact CG1-CE1 3.83Å; V130-F275 HydrophobicContact CG1-CZ 4.43Å |
| 131 | A | 94.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.6 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F127 A135 S136 M141 V145 M146 M208 | F127-A131 VanDerWaalsContact O-CB 3.31Å; F127-A131 WeakPolarHBondContact O-CB 3.36Å; F127-A131 PolarHBondContact O-N 3.23Å; A131-A135 CarbonylContact O-C 3.59Å; A131-A135 VanDerWaalsContact O-C 3.28Å; A131-A135 VanDerWaalsContact O-CA 3.29Å; A131-A135 WeakPolarHBondContact O-CA 3.45Å; A131-A135 PolarHBondContact O-N 3.36Å; A131-S136 PolarHBondContact O-N 3.32Å; A131-M141 HydrophobicContact CB-SD 3.93Å; A131-V145 HydrophobicContact CB-CG1 4.23Å; A131-M146 HydrophobicContact CB-CG 3.55Å; A131-M146 HydrophobicContact CB-SD 4.42Å; A131-M208 HydrophobicContact CB-CE 3.58Å; A131-M208 HydrophobicContact CB-SD 4.36Å |
| 132 | M | 92.3 | Very high | 94.5 | Very high | 107 Ų | 107 | 49.2 Ų | 49.2 | 53% | 0.527 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 177.5 | -173.8 | -175.2 | -69.9 | 0 | 0 | 112.5 | S128 S129 V130 S136 M146 | S128-M132 WeakPolarHBondContact O-CB 3.46Å; S128-M132 PolarHBondContact O-N 3.02Å; S129-M132 PolarHBondContact O-N 2.88Å; V130-M132 VanDerWaalsContact C-N 3.35Å; V130-M132 PolarHBondContact O-N 3.2Å; M132-S136 VanDerWaalsContact O-CB 3.23Å; M132-S136 WeakPolarHBondContact O-CB 3.32Å; M132-S136 PolarHBondContact O-OG 3.38Å; M132-M146 HydrophobicContact CB-CE 3.79Å; M132-M146 HydrophobicContact CB-SD 3.99Å; M132-M146 HydrophobicContact CE-CE 3.49Å; M132-M146 VanDerWaalsContact CE-CE 3.49Å; M132-M146 HydrophobicContact CG-CE 4Å |
| 133 | K | 93.2 | Very high | 94.3 | Very high | 176 Ų | 176 | 51 Ų | 51 | 77% | 0.765 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -69.6 | -40.2 | -177.2 | -73.7 | 172.9 | -175.8 | 174.5 | 0 | 112.6 | S129 V130 | S129-K133 WeakPolarHBondContact O-CB 3.31Å; S129-K133 VanDerWaalsContact O-CG 3.3Å; S129-K133 WeakPolarHBondContact O-CG 3.46Å; S129-K133 PolarHBondContact O-N 3.41Å; V130-K133 PolarHBondContact O-N 3.04Å |
| 134 | K | 91.2 | Very high | 94.1 | Very high | 68 Ų | 68 | 53 Ų | 53 | 30% | 0.296 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -95.1 | -35.5 | -172.9 | -75.7 | 177 | 171.1 | -91.7 | 0 | 112.1 | V130 H211 K274 F275 | V130-K134 HydrophobicContact CG1-CD 4.19Å; V130-K134 WeakPolarHBondContact O-CB 3.42Å; V130-K134 PolarHBondContact O-N 3.27Å; K134-H211 WeakPolarHBondContact CE-NE2 3.38Å; K134-H211 PolarHBondContact NZ-CE1 3.13Å; K134-H211 PolarHBondContact NZ-NE2 2.85Å; K134-K274 HydrophobicContact CB-CD 4.42Å; K134-K274 WeakPolarHBondContact O-CD 3.4Å; K134-K274 VanDerWaalsContact O-CE 3.24Å; K134-K274 WeakPolarHBondContact O-CE 3.24Å; K134-K274 PolarHBondContact O-NZ 2.92Å; K134-F275 HydrophobicContact CB-CE1 4.12Å; K134-F275 HydrophobicContact CB-CZ 3.93Å; K134-F275 HydrophobicContact CD-CD1 4.29Å; K134-F275 HydrophobicContact CD-CE1 3.62Å; K134-F275 HydrophobicContact CD-CZ 4.31Å; K134-F275 HydrophobicContact CG-CE1 4.49Å |
| 135 | A | 90.1 | Very high | 94 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -135.3 | 30 | -164.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A131 T137 S138 M141 C271 | A131-A135 CarbonylContact O-C 3.59Å; A131-A135 VanDerWaalsContact O-C 3.28Å; A131-A135 VanDerWaalsContact O-CA 3.29Å; A131-A135 WeakPolarHBondContact O-CA 3.45Å; A131-A135 PolarHBondContact O-N 3.36Å; A135-T137 PolarHBondContact O-N 3.13Å; A135-S138 PolarHBondContact O-N 3.41Å; A135-M141 HydrophobicContact CB-CB 4.26Å; A135-M141 HydrophobicContact CB-CG 3.56Å; A135-M141 HydrophobicContact CB-SD 4.03Å; A135-M141 WeakPolarHBondContact O-CB 3.44Å; A135-C271 HydrophobicContact CB-CB 3.72Å |
| 136 | S | 87.8 | Confident | 93.8 | Very high | 61 Ų | 61 | 52.4 Ų | 52.4 | 43% | 0.427 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.1 | 177.9 | 49.5 | 0 | 0 | 0 | 0 | 115.6 | A131 M132 L142 | A131-S136 PolarHBondContact O-N 3.32Å; M132-S136 VanDerWaalsContact O-CB 3.23Å; M132-S136 WeakPolarHBondContact O-CB 3.32Å; M132-S136 PolarHBondContact O-OG 3.38Å; S136-L142 WeakPolarHBondContact O-CD1 3.29Å |
| 137 | T | 90.6 | Very high | 93.7 | Very high | 118 Ų | 118 | 54.9 Ų | 54.9 | 72% | 0.724 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -7.9 | 178.4 | 60 | 0 | 0 | 0 | 0 | 113.7 | A135 | A135-T137 PolarHBondContact O-N 3.13Š|
| 138 | S | 94.5 | Very high | 93.6 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | trans | -91 | 124 | 178.7 | 157.6 | 0 | 0 | 0 | 0 | 110.4 | A135 N140 M141 L142 D269 | A135-S138 PolarHBondContact O-N 3.41Å; S138-N140 VanDerWaalsContact C-N 3.29Å; S138-N140 PolarHBondContact O-N 3.44Å; S138-N140 PolarHBondContact OG-N 3.44Å; S138-M141 WeakPolarHBondContact O-CB 3.41Å; S138-M141 PolarHBondContact O-N 3.33Å; S138-M141 PolarHBondContact OG-N 2.91Å; S138-L142 VanDerWaalsContact O-CG 3.32Å; S138-L142 WeakPolarHBondContact O-CG 3.28Å; S138-L142 PolarHBondContact O-N 2.75Å; S138-D269 WeakPolarHBondContact CB-OD2 3.39Å; S138-D269 PolarHBondContact OG-OD2 3.2Å | ||
| 139 | E | 94.4 | Very high | 93.6 | Very high | 148 Ų | 148 | 58 Ų | 58 | 69% | 0.692 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.1 | -38.5 | 174 | -65.8 | -174.5 | 175.4 | 0 | 0 | 111.7 | M141 L142 N143 | E139-M141 VanDerWaalsContact C-N 3.33Å; E139-M141 PolarHBondContact O-N 2.81Å; E139-L142 PolarHBondContact O-N 2.64Å; E139-N143 VanDerWaalsContact O-CB 3.29Å; E139-N143 WeakPolarHBondContact O-CB 3.19Å; E139-N143 VanDerWaalsContact O-CG 3.29Å; E139-N143 PolarHBondContact O-N 2.73Å; E139-N143 PolarHBondContact O-ND2 3.18Å |
| 140 | N | 93.9 | Very high | 93.8 | Very high | 36 Ų | 36 | 56.6 Ų | 56.6 | 19% | 0.193 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.8 | -42.2 | 176.7 | -66 | -55.5 | 0 | 0 | 0 | 111.1 | S138 R144 S265 F266 D269 | S138-N140 VanDerWaalsContact C-N 3.29Å; S138-N140 PolarHBondContact O-N 3.44Å; S138-N140 PolarHBondContact OG-N 3.44Å; N140-R144 VanDerWaalsContact O-CB 3.23Å; N140-R144 WeakPolarHBondContact O-CB 3.39Å; N140-R144 PolarHBondContact O-N 2.92Å; N140-S265 PolarHBondContact ND2-O 3.49Å; N140-S265 WeakPolarHBondContact OD1-CB 3.16Å; N140-S265 PolarHBondContact OD1-OG 2.73Å; N140-F266 HydrophobicContact CB-CD1 3.75Å; N140-F266 HydrophobicContact CB-CD2 4.37Å; N140-F266 HydrophobicContact CB-CE1 3.19Å; N140-F266 HydrophobicContact CB-CE2 3.95Å; N140-F266 HydrophobicContact CB-CG 4.3Å; N140-F266 HydrophobicContact CB-CZ 3.34Å; N140-D269 PolarHBondContact ND2-OD2 3.03Å |
| 141 | M | 94.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -62.2 | -48.4 | 175.1 | -77.7 | -77.1 | 104.7 | 0 | 0 | 112.6 | A131 A135 S138 E139 N143 V145 M146 V204 M208 F266 C271 | A131-M141 HydrophobicContact CB-SD 3.93Å; A135-M141 HydrophobicContact CB-CB 4.26Å; A135-M141 HydrophobicContact CB-CG 3.56Å; A135-M141 HydrophobicContact CB-SD 4.03Å; A135-M141 WeakPolarHBondContact O-CB 3.44Å; S138-M141 WeakPolarHBondContact O-CB 3.41Å; S138-M141 PolarHBondContact O-N 3.33Å; S138-M141 PolarHBondContact OG-N 2.91Å; E139-M141 VanDerWaalsContact C-N 3.33Å; E139-M141 PolarHBondContact O-N 2.81Å; M141-N143 PolarHBondContact O-N 3.46Å; M141-V145 HydrophobicContact CE-CB 3.68Å; M141-V145 HydrophobicContact CE-CG1 4.14Å; M141-V145 HydrophobicContact CE-CG2 3.32Å; M141-V145 PolarHBondContact O-N 3.42Å; M141-V145 HydrophobicContact SD-CB 4.2Å; M141-V145 HydrophobicContact SD-CG1 4.39Å; M141-V145 HydrophobicContact SD-CG2 4.46Å; M141-M146 WeakPolarHBondContact O-CB 3.49Å; M141-M146 WeakPolarHBondContact O-CG 3.48Å; M141-M146 PolarHBondContact O-N 3.02Å; M141-V204 HydrophobicContact CE-CB 4.08Å; M141-V204 HydrophobicContact CE-CG1 3.37Å; M141-V204 HydrophobicContact CE-CG2 4.25Å; M141-V204 HydrophobicContact SD-CG1 4.25Å; M141-M208 HydrophobicContact CE-CE 4.24Å; M141-M208 HydrophobicContact SD-CE 3.53Å; M141-M208 VanDerWaalsContact SD-CE 3.53Å; M141-F266 HydrophobicContact CE-CD1 4.08Å; M141-F266 HydrophobicContact CE-CE1 3.08Å; M141-F266 HydrophobicContact CE-CE2 4.38Å; M141-F266 HydrophobicContact CE-CZ 3.25Å; M141-F266 HydrophobicContact CG-CE1 4.06Å; M141-F266 HydrophobicContact SD-CE1 4.42Å; M141-C271 HydrophobicContact CG-CB 4.5Å |
| 142 | L | 93.6 | Very high | 94.1 | Very high | 71 Ų | 71 | 56.1 Ų | 56.1 | 37% | 0.372 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -63.1 | -41.8 | -178.5 | -68.4 | 168.1 | 0 | 0 | 0 | 112.1 | S136 S138 E139 M146 P147 | S136-L142 WeakPolarHBondContact O-CD1 3.29Å; S138-L142 VanDerWaalsContact O-CG 3.32Å; S138-L142 WeakPolarHBondContact O-CG 3.28Å; S138-L142 PolarHBondContact O-N 2.75Å; E139-L142 PolarHBondContact O-N 2.64Å; L142-M146 HydrophobicContact CD2-CE 4.14Å; L142-M146 HydrophobicContact CD2-SD 3.6Å; L142-M146 HydrophobicContact CG-SD 4.49Å; L142-P147 VanDerWaalsContact O-CD 3.31Å; L142-P147 WeakPolarHBondContact O-CD 3.39Å; L142-P147 WeakPolarHBondContact O-CG 3.47Å |
| 143 | N | 94.6 | Very high | 94.4 | Very high | 112 Ų | 112 | 51 Ų | 51 | 60% | 0.599 | 26% | 0.261 | S | S | * | . | I | π-helix | trans | -90.7 | -31.7 | -170.9 | -65.2 | -27.8 | 0 | 0 | 0 | 113.3 | E139 M141 | E139-N143 VanDerWaalsContact O-CB 3.29Å; E139-N143 WeakPolarHBondContact O-CB 3.19Å; E139-N143 VanDerWaalsContact O-CG 3.29Å; E139-N143 PolarHBondContact O-N 2.73Å; E139-N143 PolarHBondContact O-ND2 3.18Å; M141-N143 PolarHBondContact O-N 3.46Å |
| 144 | R | 95.8 | Very high | 94.7 | Very high | 60 Ų | 60 | 42.6 Ų | 42.6 | 23% | 0.226 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -107.8 | -39.4 | -170.4 | -53.7 | -177.7 | 58.3 | 72.2 | 4.7 | 113 | N140 F198 D200 V201 | N140-R144 VanDerWaalsContact O-CB 3.23Å; N140-R144 WeakPolarHBondContact O-CB 3.39Å; N140-R144 PolarHBondContact O-N 2.92Å; R144-F198 VanDerWaalsContact NH2-CD1 3.31Å; R144-D200 IonicContact CZ-OD1 3.79Å; R144-D200 IonicContact CZ-OD2 3.29Å; R144-D200 VanDerWaalsContact CZ-OD2 3.29Å; R144-D200 IonicContact NE-OD1 3.9Å; R144-D200 IonicContact NE-OD2 2.66Å; R144-D200 PolarHBondContact NE-OD2 3.19Å; R144-D200 VanDerWaalsContact NH2-CG 3.35Å; R144-D200 IonicContact NH2-OD1 2.83Å; R144-D200 PolarHBondContact NH2-OD1 2.69Å; R144-D200 IonicContact NH2-OD2 3.08Å; R144-D200 PolarHBondContact NH2-OD2 2.94Å; R144-D200 VanDerWaalsContact NH2-OD2 3.08Å; R144-V201 HydrophobicContact CB-CG2 4.03Å; R144-V201 WeakPolarHBondContact O-CG2 3.44Å |
| 145 | V | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | I | π-helix | trans | -100.2 | -48 | -173.5 | 178.7 | 0 | 0 | 0 | 0 | 112.9 | A131 M141 P147 R148 V201 V204 Q205 M208 F266 | A131-V145 HydrophobicContact CB-CG1 4.23Å; M141-V145 HydrophobicContact CE-CB 3.68Å; M141-V145 HydrophobicContact CE-CG1 4.14Å; M141-V145 HydrophobicContact CE-CG2 3.32Å; M141-V145 PolarHBondContact O-N 3.42Å; M141-V145 HydrophobicContact SD-CB 4.2Å; M141-V145 HydrophobicContact SD-CG1 4.39Å; M141-V145 HydrophobicContact SD-CG2 4.46Å; V145-P147 VanDerWaalsContact C-CD 3.42Å; V145-R148 WeakPolarHBondContact O-CB 3.26Å; V145-R148 PolarHBondContact O-N 3.5Å; V145-R148 VanDerWaalsContact O-N 3.07Å; V145-V201 HydrophobicContact CG2-CB 4.28Å; V145-V201 HydrophobicContact CG2-CG1 4.13Å; V145-V201 HydrophobicContact CG2-CG2 3.94Å; V145-V204 HydrophobicContact CG2-CB 4.47Å; V145-Q205 HydrophobicContact CG1-CG 4.47Å; V145-M208 HydrophobicContact CG1-CE 4.11Å; V145-M208 HydrophobicContact CG1-SD 4.38Å; V145-F266 HydrophobicContact CG2-CE2 4.43Å; V145-F266 HydrophobicContact CG2-CZ 3.93Å |
| 146 | M | 93.6 | Very high | 95.5 | Very high | 38 Ų | 38 | 39.4 Ų | 39.4 | 19% | 0.187 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -34.6 | -178.2 | -80.4 | -173.2 | 52 | 0 | 0 | 115.6 | S128 A131 M132 M141 L142 R148 | S128-M146 WeakPolarHBondContact CB-O 3.42Å; A131-M146 HydrophobicContact CB-CG 3.55Å; A131-M146 HydrophobicContact CB-SD 4.42Å; M132-M146 HydrophobicContact CB-CE 3.79Å; M132-M146 HydrophobicContact CB-SD 3.99Å; M132-M146 HydrophobicContact CE-CE 3.49Å; M132-M146 VanDerWaalsContact CE-CE 3.49Å; M132-M146 HydrophobicContact CG-CE 4Å; M141-M146 WeakPolarHBondContact O-CB 3.49Å; M141-M146 WeakPolarHBondContact O-CG 3.48Å; M141-M146 PolarHBondContact O-N 3.02Å; L142-M146 HydrophobicContact CD2-CE 4.14Å; L142-M146 HydrophobicContact CD2-SD 3.6Å; L142-M146 HydrophobicContact CG-SD 4.49Å; M146-R148 PolarHBondContact O-N 2.97Å |
| 147 | P | 95.2 | Very high | 96 | Very high | 82 Ų | 82 | 36.5 Ų | 36.5 | 53% | 0.532 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -4.9 | 178.5 | -18 | 33.4 | 0 | 0 | 0 | 113.8 | L142 V145 | L142-P147 VanDerWaalsContact O-CD 3.31Å; L142-P147 WeakPolarHBondContact O-CD 3.39Å; L142-P147 WeakPolarHBondContact O-CG 3.47Å; V145-P147 VanDerWaalsContact C-CD 3.42Å |
| 148 | R | 95.6 | Very high | 96.4 | Very high | 50 Ų | 50 | 35.5 Ų | 35.5 | 19% | 0.189 | 18% | 0.176 | C | C | . | . | trans | -92.6 | 134.3 | 177.6 | -52.7 | -57.5 | -174.3 | -91.2 | 3 | 109.6 | V145 M146 H193 V201 | V145-R148 WeakPolarHBondContact O-CB 3.26Å; V145-R148 PolarHBondContact O-N 3.5Å; V145-R148 VanDerWaalsContact O-N 3.07Å; M146-R148 PolarHBondContact O-N 2.97Å; R148-H193 VanDerWaalsContact CD-CE1 3.5Å; R148-H193 WeakPolarHBondContact CD-CE1 3.45Å; R148-H193 PolarHBondContact NE-CE1 2.74Å; R148-H193 VanDerWaalsContact NE-CE1 3.31Å; R148-H193 PolarHBondContact NE-NE2 2.95Å; R148-H193 VanDerWaalsContact NE-NE2 3.11Å; R148-V201 HydrophobicContact CG-CG1 4.13Å | ||
| 149 | D | 94.9 | Very high | 96.6 | Very high | 38 Ų | 38 | 35.3 Ų | 35.3 | 20% | 0.203 | 18% | 0.175 | C | C | . | . | trans | -102 | 15.9 | -172.3 | 69.1 | -20.1 | 0 | 0 | 0 | 113.6 | K91 S92 R93 | K91-D149 WeakPolarHBondContact CB-O 3.23Å; S92-D149 PolarHBondContact N-O 3.47Å; R93-D149 HydrophobicContact CB-CB 4.47Å; R93-D149 WeakPolarHBondContact CB-OD2 3.41Å; R93-D149 WeakPolarHBondContact CD-OD2 3.39Å; R93-D149 WeakPolarHBondContact CG-OD2 3.46Å; R93-D149 IonicContact CZ-OD2 3.97Å; R93-D149 IonicContact NE-OD2 3.44Å; R93-D149 IonicContact NH1-OD1 3.66Å; R93-D149 IonicContact NH1-OD2 3.57Å; R93-D149 PolarHBondContact NH1-OD2 2.67Å | ||
| 150 | N | 98.2 | Very high | 96.6 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 3% | 0.032 | 15% | 0.154 | C | C | . | . | trans | -58.2 | 148.1 | 174.4 | -61.5 | 97.2 | 0 | 0 | 0 | 111.3 | F127 H191 H193 Q205 | F127-N150 HydrophobicContact CD2-CB 3.87Å; F127-N150 VanDerWaalsContact CD2-O 3.28Å; F127-N150 WeakPolarHBondContact CD2-O 3.25Å; F127-N150 HydrophobicContact CE2-CB 4.27Å; N150-H191 WeakPolarHBondContact CB-O 3.44Å; N150-H191 PolarHBondContact ND2-O 3.37Å; N150-H193 PolarHBondContact ND2-N 3.34Å; N150-H193 WeakPolarHBondContact OD1-CB 3.46Å; N150-Q205 PolarHBondContact OD1-NE2 2.85Å | ||
| 151 | I | 98.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 158.9 | -176.8 | 61.5 | 161.4 | 0 | 0 | 0 | 111.6 | E89 L124 F125 E126 H191 | E89-I151 HydrophobicContact CB-CD1 4.06Å; E89-I151 WeakPolarHBondContact O-CD1 3.49Å; L124-I151 HydrophobicContact CD1-CB 4.01Å; L124-I151 HydrophobicContact CD1-CD1 4Å; L124-I151 HydrophobicContact CD1-CG2 4.14Å; F125-I151 CarbonylContact O-C 3.55Å; F125-I151 WeakPolarHBondContact O-CA 3.1Å; E126-I151 HydrophobicContact CG-CG2 4.43Å; I151-H191 PolarHBondContact O-N 3.38Å |
| 152 | G | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 149.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | F125 T189 | F125-G152 PolarHBondContact N-O 2.9Å; F125-G152 PolarHBondContact O-N 3.47Å; G152-T189 CarbonylContact C-O 3.58Å; G152-T189 VanDerWaalsContact CA-O 3.25Å; G152-T189 WeakPolarHBondContact CA-O 3.49Å |
| 153 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 136.2 | 173.9 | 178.8 | 57.9 | 0 | 0 | 0 | 108.5 | I87 E89 C108 I110 A188 T189 | I87-L153 HydrophobicContact CD1-CD1 3.92Å; I87-L153 HydrophobicContact CD1-CD2 4.22Å; I87-L153 HydrophobicContact CD1-CG 4.09Å; I87-L153 HydrophobicContact CG1-CD2 4.06Å; I87-L153 HydrophobicContact CG1-CG 4.47Å; E89-L153 HydrophobicContact CB-CD1 4.28Å; E89-L153 HydrophobicContact CG-CD1 3.7Å; C108-L153 HydrophobicContact CB-CB 4.2Å; C108-L153 VanDerWaalsContact O-CD2 3.23Å; C108-L153 WeakPolarHBondContact O-CD2 3.28Å; I110-L153 HydrophobicContact CD1-CG 4.1Å; I110-L153 HydrophobicContact CG1-CD2 4.22Å; I110-L153 HydrophobicContact CG1-CG 4.3Å; L153-A188 CarbonylContact O-C 3.47Å; L153-A188 VanDerWaalsContact O-CA 3.29Å; L153-A188 WeakPolarHBondContact O-CA 3.36Å; L153-T189 HydrophobicContact CB-CG2 4.04Å; L153-T189 PolarHBondContact N-O 2.93Å; L153-T189 PolarHBondContact O-N 3.26Å |
| 154 | C | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 135.9 | -178.6 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | Q122 Y123 F125 V187 A188 | Q122-C154 CarbonylContact C-O 3.53Å; Q122-C154 VanDerWaalsContact CA-O 3.28Å; Q122-C154 WeakPolarHBondContact CA-O 3.35Å; Y123-C154 PolarHBondContact N-O 3.34Å; Y123-C154 PolarHBondContact O-N 3.04Å; F125-C154 HydrophobicContact CE1-CB 4.29Å; F125-C154 HydrophobicContact CE2-CB 3.57Å; F125-C154 HydrophobicContact CZ-CB 3.43Å; F125-C154 VanDerWaalsContact CZ-CB 3.43Å; C154-V187 CarbonylContact C-O 3.41Å; C154-V187 WeakPolarHBondContact CA-O 3.15Å; C154-A188 HydrophobicContact CB-CB 4.2Å |
| 155 | A | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 134.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110 | I87 I110 L157 V187 | I87-A155 HydrophobicContact CD1-CB 3.95Å; I110-A155 HydrophobicContact CD1-CB 4.12Å; I110-A155 HydrophobicContact CG2-CB 4.44Å; A155-L157 HydrophobicContact CB-CD2 4.06Å; A155-L157 HydrophobicContact CB-CG 4.35Å; A155-V187 PolarHBondContact N-O 3.2Å; A155-V187 PolarHBondContact O-N 3.01Å |
| 156 | V | 98.9 | Very high | 93 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 111.9 | 164.3 | -177 | 0 | 0 | 0 | 0 | 106.8 | D120 K121 Y123 P184 V186 V216 V220 | D120-V156 HydrophobicContact CB-CB 4.39Å; D120-V156 HydrophobicContact CB-CG1 4.21Å; D120-V156 WeakPolarHBondContact CB-O 3.16Å; D120-V156 PolarHBondContact N-O 2.87Å; K121-V156 PolarHBondContact N-O 3.33Å; K121-V156 PolarHBondContact O-N 3.2Å; Y123-V156 HydrophobicContact CD2-CG2 4.48Å; Y123-V156 HydrophobicContact CE2-CG2 3.78Å; V156-P184 HydrophobicContact CG1-CB 4.22Å; V156-V186 HydrophobicContact CG2-CG2 4.33Å; V156-V216 HydrophobicContact CG2-CG1 3.87Å; V156-V220 HydrophobicContact CB-CG2 4.47Å; V156-V220 HydrophobicContact CG1-CG2 3.91Å; V156-V220 HydrophobicContact CG2-CG2 3.68Å |
| 157 | L | 98.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 136.3 | 179.7 | -58.6 | -176.3 | 0 | 0 | 0 | 109.6 | V60 W112 F117 D118 M119 A155 P184 L185 V187 | V60-L157 HydrophobicContact CG2-CD1 4.29Å; W112-L157 HydrophobicContact CB-CD1 3.97Å; W112-L157 HydrophobicContact CD2-CD2 3.79Å; W112-L157 HydrophobicContact CE3-CD2 4Å; W112-L157 HydrophobicContact CG-CD1 4.26Å; W112-L157 HydrophobicContact CG-CD2 4.05Å; F117-L157 HydrophobicContact CB-CB 4.2Å; F117-L157 HydrophobicContact CB-CD1 4.27Å; F117-L157 HydrophobicContact CD1-CB 4.25Å; F117-L157 HydrophobicContact CD1-CD1 4.5Å; F117-L157 HydrophobicContact CG-CB 4.47Å; F117-L157 HydrophobicContact CG-CD1 4.25Å; D118-L157 CarbonylContact O-C 3.58Å; D118-L157 WeakPolarHBondContact O-CA 3.25Å; M119-L157 HydrophobicContact CB-CD2 4.16Å; A155-L157 HydrophobicContact CB-CD2 4.06Å; A155-L157 HydrophobicContact CB-CG 4.35Å; L157-P184 CarbonylContact O-C 3.49Å; L157-P184 WeakPolarHBondContact O-CA 3.43Å; L157-L185 HydrophobicContact CB-CB 4.4Å; L157-L185 PolarHBondContact N-O 2.78Å; L157-L185 PolarHBondContact O-N 2.89Å; L157-V187 HydrophobicContact CD1-CG2 3.91Å; L157-V187 HydrophobicContact CG-CG2 4.47Å |
| 158 | K | 98.5 | Very high | 88.8 | Confident | 96 Ų | 96 | 49.9 Ų | 49.9 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 125.1 | 171.5 | -174.6 | 178.7 | -179.3 | -178.7 | 0 | 109 | F117 D118 | F117-K158 WeakPolarHBondContact CA-O 3.33Å; D118-K158 PolarHBondContact N-O 2.84Å; D118-K158 PolarHBondContact O-N 2.64Å |
| 159 | I | 98 | Very high | 86.5 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 136.1 | -177.1 | -62.7 | 158 | 0 | 0 | 0 | 110.8 | F117 V163 V180 G182 N183 L185 I362 | F117-I159 HydrophobicContact CD1-CG1 4.27Å; F117-I159 HydrophobicContact CE1-CG1 4.08Å; I159-V163 HydrophobicContact CG2-CB 4.32Å; I159-V163 HydrophobicContact CG2-CG1 3.77Å; I159-V163 HydrophobicContact CG2-CG2 3.64Å; I159-V180 HydrophobicContact CD1-CG2 4.47Å; I159-V180 HydrophobicContact CG2-CG2 3.95Å; I159-G182 PolarHBondContact O-N 2.97Å; I159-N183 HydrophobicContact CD1-CB 4.16Å; I159-N183 WeakPolarHBondContact CG1-O 3.4Å; I159-N183 PolarHBondContact N-O 3.28Å; I159-L185 HydrophobicContact CD1-CB 4.41Å; I159-L185 HydrophobicContact CG1-CB 4.31Å; I159-I362 HydrophobicContact CD1-CD1 3.86Å; I159-I362 HydrophobicContact CD1-CG2 4.37Å; I159-I362 HydrophobicContact CG1-CD1 4.31Å; I159-I362 HydrophobicContact CG2-CD1 4.42Å |
| 160 | K | 95.9 | Very high | 84.4 | Confident | 59 Ų | 59 | 56.4 Ų | 56.4 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | trans | -110 | 166.1 | 176.7 | -56.5 | 172.3 | 80 | 156.4 | 0 | 110.7 | V114 D115 K116 D118 S162 V163 | V114-K160 WeakPolarHBondContact O-CD 3.17Å; V114-K160 PolarHBondContact O-NZ 3.24Å; D115-K160 WeakPolarHBondContact O-CB 3.41Å; K116-K160 WeakPolarHBondContact O-CB 3.34Å; K116-K160 PolarHBondContact O-N 2.88Å; D118-K160 IonicContact OD1-NZ 2.82Å; D118-K160 PolarHBondContact OD1-NZ 2.89Å; D118-K160 WeakPolarHBondContact OD2-CD 3.2Å; D118-K160 WeakPolarHBondContact OD2-CE 3.2Å; D118-K160 IonicContact OD2-NZ 3.42Å; D118-K160 PolarHBondContact OD2-NZ 2.98Å; K160-S162 PolarHBondContact O-N 3.42Å; K160-S162 VanDerWaalsContact O-N 3.15Å; K160-V163 VanDerWaalsContact O-CG2 3.3Å; K160-V163 WeakPolarHBondContact O-CG2 3.38Å; K160-V163 PolarHBondContact O-N 3.24Å | ||
| 161 | E | 91.9 | Very high | 82.3 | Confident | 145 Ų | 145 | 67.2 Ų | 67.2 | 68% | 0.678 | 35% | 0.345 | S | S | * | . | G | 310 helix | trans | -57.5 | -30.5 | -176.4 | -170.1 | 172 | -164.5 | 0 | 0 | 114.1 | V163 Y164 V181 | E161-V163 PolarHBondContact O-N 3.1Å; E161-Y164 WeakPolarHBondContact O-CD2 3.38Å; E161-Y164 PolarHBondContact O-N 3.02Å; E161-Y164 VanDerWaalsContact O-N 3.07Å; E161-V181 HydrophobicContact CB-CG2 4.13Å |
| 162 | S | 91.4 | Very high | 80.4 | Confident | 56 Ų | 56 | 71.8 Ų | 71.8 | 39% | 0.392 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -64.4 | -7.5 | -176.6 | -45.1 | 0 | 0 | 0 | 0 | 114.8 | D115 K160 Y164 | D115-S162 WeakPolarHBondContact O-CB 3.41Å; D115-S162 PolarHBondContact O-OG 3.12Å; K160-S162 PolarHBondContact O-N 3.42Å; K160-S162 VanDerWaalsContact O-N 3.15Å; S162-Y164 PolarHBondContact O-N 2.89Å |
| 163 | V | 92.6 | Very high | 79 | Confident | 0 Ų | 0 | 80.6 Ų | 80.6 | 0% | 0 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -68.7 | -20.4 | 171.2 | -60.5 | 0 | 0 | 0 | 0 | 113.1 | A12 T13 K116 F117 I159 K160 E161 A165 V180 | A12-V163 WeakPolarHBondContact CA-O 3.25Å; A12-V163 HydrophobicContact CB-CB 4.3Å; A12-V163 HydrophobicContact CB-CG2 3.61Å; T13-V163 PolarHBondContact N-O 3.18Å; K116-V163 HydrophobicContact CB-CG1 3.99Å; K116-V163 HydrophobicContact CD-CG1 4.41Å; K116-V163 HydrophobicContact CG-CG1 4.25Å; F117-V163 HydrophobicContact CE1-CG1 4.16Å; F117-V163 HydrophobicContact CZ-CG1 4.12Å; I159-V163 HydrophobicContact CG2-CB 4.32Å; I159-V163 HydrophobicContact CG2-CG1 3.77Å; I159-V163 HydrophobicContact CG2-CG2 3.64Å; K160-V163 VanDerWaalsContact O-CG2 3.3Å; K160-V163 WeakPolarHBondContact O-CG2 3.38Å; K160-V163 PolarHBondContact O-N 3.24Å; E161-V163 PolarHBondContact O-N 3.1Å; V163-A165 PolarHBondContact O-N 3.14Å; V163-V180 HydrophobicContact CG2-CG2 4.22Å |
| 164 | Y | 89.4 | Confident | 78 | Confident | 24 Ų | 24 | 82.2 Ų | 82.2 | 9% | 0.094 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -82.8 | 47.6 | 178.5 | -70 | -77.7 | 0 | 0 | 0 | 112.2 | P10 A12 E161 S162 N166 I174 D178 N179 V180 V181 | P10-Y164 HydrophobicContact CB-CD1 3.91Å; P10-Y164 HydrophobicContact CG-CD1 4.49Å; A12-Y164 HydrophobicContact CB-CD1 3.88Å; A12-Y164 HydrophobicContact CB-CE1 3.59Å; A12-Y164 HydrophobicContact CB-CE2 4.28Å; A12-Y164 HydrophobicContact CB-CG 4.4Å; E161-Y164 WeakPolarHBondContact O-CD2 3.38Å; E161-Y164 PolarHBondContact O-N 3.02Å; E161-Y164 VanDerWaalsContact O-N 3.07Å; S162-Y164 PolarHBondContact O-N 2.89Å; Y164-N166 VanDerWaalsContact C-N 3.29Å; Y164-N166 PolarHBondContact O-N 3.06Å; Y164-I174 HydrophobicContact CD1-CD1 3.82Å; Y164-I174 HydrophobicContact CD2-CD1 3.43Å; Y164-I174 VanDerWaalsContact CD2-CD1 3.43Å; Y164-I174 HydrophobicContact CE1-CD1 3.8Å; Y164-I174 HydrophobicContact CE1-CG2 4.45Å; Y164-I174 HydrophobicContact CE2-CD1 3.45Å; Y164-I174 VanDerWaalsContact CE2-CD1 3.45Å; Y164-I174 HydrophobicContact CG-CD1 3.61Å; Y164-D178 PolarHBondContact OH-O 3.37Å; Y164-N179 WeakPolarHBondContact OH-CA 3.32Å; Y164-V180 HydrophobicContact CE2-CG2 4.09Å; Y164-V180 WeakPolarHBondContact OH-CG2 3.33Å; Y164-V180 PolarHBondContact OH-N 2.79Å; Y164-V181 HydrophobicContact CD2-CG2 4.36Å; Y164-V181 HydrophobicContact CE2-CG2 3.86Å |
| 165 | A | 68.9 | Low | 77.1 | Confident | 61 Ų | 61 | 85.3 Ų | 85.3 | 50% | 0.504 | 44% | 0.437 | S | S | . | . | trans | -66.5 | 82.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V163 | V163-A165 PolarHBondContact O-N 3.14Š| ||
| 166 | N | 56.6 | Low | 76.3 | Confident | 133 Ų | 133 | 93.7 Ų | 93.7 | 71% | 0.711 | 48% | 0.478 | S | S | * | . | trans | -146.5 | 102.3 | 148.6 | -105.9 | -23.8 | 0 | 0 | 0 | 104.9 | Y164 F168 | Y164-N166 VanDerWaalsContact C-N 3.29Å; Y164-N166 PolarHBondContact O-N 3.06Å; N166-F168 PolarHBondContact O-N 3.46Å | ||
| 167 | K | 50.8 | Low | 75.6 | Confident | 215 Ų | 215 | 98.4 Ų | 98.4 | 94% | 0.935 | 50% | 0.504 | S | S | * | . | trans | -68.4 | 43.9 | 179.3 | -68.7 | -179 | 176.2 | 176.3 | 0 | 112.5 | L169 | K167-L169 VanDerWaalsContact C-N 3.27Å; K167-L169 PolarHBondContact O-N 2.86Å; K167-L169 VanDerWaalsContact O-N 3.09Å | ||
| 168 | F | 50.1 | Low | 75 | Confident | 159 Ų | 159 | 99 Ų | 99 | 70% | 0.697 | 51% | 0.507 | S | S | * | . | trans | -81.4 | 86 | 162.6 | -102.2 | -89 | 0 | 0 | 0 | 108.3 | N166 | N166-F168 PolarHBondContact O-N 3.46Š| ||
| 169 | L | 47.9 | Very low | 74.6 | Confident | 132 Ų | 132 | 97.3 Ų | 97.3 | 69% | 0.691 | 50% | 0.502 | S | S | * | . | trans | 53.1 | 120.3 | 151.1 | -65.8 | 156.6 | 0 | 0 | 0 | 116 | K167 R171 | K167-L169 VanDerWaalsContact C-N 3.27Å; K167-L169 PolarHBondContact O-N 2.86Å; K167-L169 VanDerWaalsContact O-N 3.09Å; L169-R171 PolarHBondContact O-N 3.1Å | ||
| 170 | G | 50 | Low | 74.4 | Confident | 93 Ų | 93 | 97.1 Ų | 97.1 | 96% | 0.959 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | 63.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 171 | R | 53.8 | Low | 74.3 | Confident | 233 Ų | 233 | 96.9 Ų | 96.9 | 88% | 0.879 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.3 | -11.5 | -179 | -71.9 | -168 | 178.4 | -174.2 | 0 | 112.8 | L169 Q173 | L169-R171 PolarHBondContact O-N 3.1Å; R171-Q173 PolarHBondContact O-N 2.84Å |
| 172 | M | 59.1 | Low | 74.5 | Confident | 98 Ų | 98 | 90.9 Ų | 90.9 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | trans | -78.2 | 106.7 | 170.4 | -90.6 | -163 | -68.2 | 0 | 0 | 110.1 | I174 | M172-I174 PolarHBondContact O-N 2.8Š| ||
| 173 | Q | 69.1 | Low | 74.7 | Confident | 184 Ų | 184 | 89.9 Ų | 89.9 | 86% | 0.86 | 47% | 0.472 | S | S | * | . | trans | -70.2 | 110.1 | 162.7 | -69.6 | -178.9 | 4.3 | 0 | 0 | 107.7 | R171 P175 | R171-Q173 PolarHBondContact O-N 2.84Å; Q173-P175 WeakPolarHBondContact O-CD 3.34Å | ||
| 174 | I | 77.4 | Confident | 75 | Confident | 35 Ų | 35 | 89.9 Ų | 89.9 | 18% | 0.179 | 47% | 0.472 | C | S | . | . | trans | -65.5 | 121 | 169 | -54.8 | 179.6 | 0 | 0 | 0 | 106.4 | P10 Y164 M172 M176 D178 N179 | P10-I174 HydrophobicContact CG-CD1 4.39Å; P10-I174 HydrophobicContact CG-CG1 3.97Å; Y164-I174 HydrophobicContact CD1-CD1 3.82Å; Y164-I174 HydrophobicContact CD2-CD1 3.43Å; Y164-I174 VanDerWaalsContact CD2-CD1 3.43Å; Y164-I174 HydrophobicContact CE1-CD1 3.8Å; Y164-I174 HydrophobicContact CE1-CG2 4.45Å; Y164-I174 HydrophobicContact CE2-CD1 3.45Å; Y164-I174 VanDerWaalsContact CE2-CD1 3.45Å; Y164-I174 HydrophobicContact CG-CD1 3.61Å; M172-I174 PolarHBondContact O-N 2.8Å; I174-M176 PolarHBondContact O-N 2.81Å; I174-D178 HydrophobicContact CG2-CB 4Å; I174-N179 HydrophobicContact CG2-CB 4.11Å | ||
| 175 | P | 81.3 | Confident | 75.4 | Confident | 64 Ų | 64 | 88.8 Ų | 88.8 | 42% | 0.416 | 47% | 0.467 | S | S | . | . | trans | -52.5 | 141.7 | 177 | -26 | 34.4 | 0 | 0 | 0 | 110.2 | Q173 N177 D178 N179 | Q173-P175 WeakPolarHBondContact O-CD 3.34Å; P175-N177 PolarHBondContact O-N 2.79Å; P175-D178 HydrophobicContact CB-CB 4.37Å; P175-D178 WeakPolarHBondContact O-CA 3.49Å; P175-D178 PolarHBondContact O-N 2.92Å; P175-N179 PolarHBondContact O-N 3.46Å; P175-N179 VanDerWaalsContact O-N 3.08Å | ||
| 176 | M | 81.9 | Confident | 76.8 | Confident | 176 Ų | 176 | 85.9 Ų | 85.9 | 87% | 0.867 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -33.7 | -176.8 | -172.2 | 172.9 | -178 | 0 | 0 | 112.7 | I174 D178 N179 | I174-M176 PolarHBondContact O-N 2.81Å; M176-D178 VanDerWaalsContact C-N 3.32Å; M176-D178 PolarHBondContact O-N 3.08Å; M176-N179 PolarHBondContact O-N 3.41Å |
| 177 | N | 84 | Confident | 78.9 | Confident | 101 Ų | 101 | 79.5 Ų | 79.5 | 54% | 0.54 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -26.4 | 176.4 | -65.9 | -14.3 | 0 | 0 | 0 | 113.3 | P175 P364 T366 | P175-N177 PolarHBondContact O-N 2.79Å; N177-P364 VanDerWaalsContact O-CB 3.25Å; N177-P364 WeakPolarHBondContact O-CB 3.45Å; N177-T366 HydrophobicContact CB-CG2 4.09Å; N177-T366 PolarHBondContact O-OG1 3.15Å |
| 178 | D | 85.8 | Confident | 81.1 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 6% | 0.064 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -7.8 | -179 | -59.3 | -9.9 | 0 | 0 | 0 | 112 | R9 Y164 I174 P175 M176 P364 H367 | R9-D178 IonicContact CZ-OD1 3.99Å; R9-D178 IonicContact CZ-OD2 3.18Å; R9-D178 IonicContact NE-OD2 2.76Å; R9-D178 PolarHBondContact NE-OD2 3.34Å; R9-D178 IonicContact NH2-OD1 3.19Å; R9-D178 PolarHBondContact NH2-OD1 2.8Å; R9-D178 IonicContact NH2-OD2 2.78Å; R9-D178 PolarHBondContact NH2-OD2 3.15Å; Y164-D178 PolarHBondContact OH-O 3.37Å; I174-D178 HydrophobicContact CG2-CB 4Å; P175-D178 HydrophobicContact CB-CB 4.37Å; P175-D178 WeakPolarHBondContact O-CA 3.49Å; P175-D178 PolarHBondContact O-N 2.92Å; M176-D178 VanDerWaalsContact C-N 3.32Å; M176-D178 PolarHBondContact O-N 3.08Å; D178-P364 WeakPolarHBondContact O-CG 3.31Å; D178-H367 IonicContact OD1-CD2 3.31Å; D178-H367 IonicContact OD1-CE1 3.7Å; D178-H367 IonicContact OD1-NE2 2.63Å; D178-H367 PolarHBondContact OD1-NE2 2.84Å |
| 179 | N | 89.7 | Confident | 83.5 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 32% | 0.321 | 33% | 0.332 | S | S | . | . | trans | -78.3 | 122 | -176.3 | -170.8 | 5.7 | 0 | 0 | 0 | 111.5 | Y164 I174 P175 M176 V181 | Y164-N179 WeakPolarHBondContact OH-CA 3.32Å; I174-N179 HydrophobicContact CG2-CB 4.11Å; P175-N179 PolarHBondContact O-N 3.46Å; P175-N179 VanDerWaalsContact O-N 3.08Å; M176-N179 PolarHBondContact O-N 3.41Å; N179-V181 VanDerWaalsContact OD1-CB 3.28Å; N179-V181 WeakPolarHBondContact OD1-CB 3.41Å; N179-V181 VanDerWaalsContact OD1-CG2 3.29Å; N179-V181 WeakPolarHBondContact OD1-CG2 3.42Å; N179-V181 PolarHBondContact OD1-N 2.93Å | ||
| 180 | V | 93.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -106.9 | -3.7 | 176.3 | -48.4 | 0 | 0 | 0 | 0 | 112.8 | A12 I159 V163 Y164 G182 N183 I362 P364 | A12-V180 HydrophobicContact CB-CG2 3.53Å; I159-V180 HydrophobicContact CD1-CG2 4.47Å; I159-V180 HydrophobicContact CG2-CG2 3.95Å; V163-V180 HydrophobicContact CG2-CG2 4.22Å; Y164-V180 HydrophobicContact CE2-CG2 4.09Å; Y164-V180 WeakPolarHBondContact OH-CG2 3.33Å; Y164-V180 PolarHBondContact OH-N 2.79Å; V180-G182 PolarHBondContact O-N 3.14Å; V180-N183 VanDerWaalsContact O-CB 3.26Å; V180-N183 WeakPolarHBondContact O-CB 3.41Å; V180-N183 PolarHBondContact O-N 2.95Å; V180-I362 HydrophobicContact CB-CG2 4.11Å; V180-I362 HydrophobicContact CG1-CG2 3.94Å; V180-I362 HydrophobicContact CG2-CB 4.4Å; V180-I362 HydrophobicContact CG2-CD1 4.27Å; V180-I362 HydrophobicContact CG2-CG2 4.21Å; V180-P364 HydrophobicContact CG1-CB 3.97Å; V180-P364 HydrophobicContact CG1-CG 3.89Å | ||
| 181 | V | 94.4 | Very high | 88.2 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 33% | 0.327 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 131.8 | 177.4 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | E161 Y164 N179 N183 | E161-V181 HydrophobicContact CB-CG2 4.13Å; Y164-V181 HydrophobicContact CD2-CG2 4.36Å; Y164-V181 HydrophobicContact CE2-CG2 3.86Å; N179-V181 VanDerWaalsContact OD1-CB 3.28Å; N179-V181 WeakPolarHBondContact OD1-CB 3.41Å; N179-V181 VanDerWaalsContact OD1-CG2 3.29Å; N179-V181 WeakPolarHBondContact OD1-CG2 3.42Å; N179-V181 PolarHBondContact OD1-N 2.93Å; V181-N183 VanDerWaalsContact C-N 3.26Å; V181-N183 PolarHBondContact O-N 2.97Å |
| 182 | G | 95.4 | Very high | 90.3 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 20% | 0.196 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | -11.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | I159 V180 Y224 | I159-G182 PolarHBondContact O-N 2.97Å; V180-G182 PolarHBondContact O-N 3.14Å; G182-Y224 WeakPolarHBondContact O-CE1 3.29Å |
| 183 | N | 96.6 | Very high | 92.2 | Very high | 35 Ų | 35 | 36.3 Ų | 36.3 | 19% | 0.187 | 19% | 0.194 | C | C | . | . | trans | -70 | 153 | 173.2 | -68 | -13.2 | 0 | 0 | 0 | 110.8 | I159 V180 V181 | I159-N183 HydrophobicContact CD1-CB 4.16Å; I159-N183 WeakPolarHBondContact CG1-O 3.4Å; I159-N183 PolarHBondContact N-O 3.28Å; V180-N183 VanDerWaalsContact O-CB 3.26Å; V180-N183 WeakPolarHBondContact O-CB 3.41Å; V180-N183 PolarHBondContact O-N 2.95Å; V181-N183 VanDerWaalsContact C-N 3.26Å; V181-N183 PolarHBondContact O-N 2.97Å | ||
| 184 | P | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 154.4 | 176.1 | 32.6 | -32.3 | 0 | 0 | 0 | 111.2 | V156 L157 V220 Y224 I226 V231 P232 | V156-P184 HydrophobicContact CG1-CB 4.22Å; L157-P184 CarbonylContact O-C 3.49Å; L157-P184 WeakPolarHBondContact O-CA 3.43Å; P184-V220 HydrophobicContact CB-CG1 3.63Å; P184-V220 HydrophobicContact CG-CG1 3.59Å; P184-Y224 HydrophobicContact CB-CD1 4.28Å; P184-Y224 HydrophobicContact CB-CD2 4.04Å; P184-Y224 HydrophobicContact CB-CE1 4.12Å; P184-Y224 HydrophobicContact CB-CE2 3.9Å; P184-Y224 HydrophobicContact CB-CG 4.24Å; P184-Y224 HydrophobicContact CG-CD1 3.98Å; P184-Y224 HydrophobicContact CG-CD2 3.93Å; P184-Y224 HydrophobicContact CG-CE1 4.33Å; P184-Y224 HydrophobicContact CG-CE2 4.3Å; P184-Y224 HydrophobicContact CG-CG 3.76Å; P184-I226 HydrophobicContact CG-CD1 3.81Å; P184-V231 HydrophobicContact CG-CG1 4.26Å; P184-V231 HydrophobicContact CG-CG2 4.43Å; P184-P232 VanDerWaalsContact O-CD 3.23Å; P184-P232 WeakPolarHBondContact O-CD 3.44Å |
| 185 | L | 98.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 122.3 | 165.5 | 167.7 | 65 | 0 | 0 | 0 | 106.8 | F14 F117 L157 I159 V187 P232 L322 | F14-L185 HydrophobicContact CE1-CD2 4.4Å; F14-L185 HydrophobicContact CE2-CD2 4Å; F14-L185 HydrophobicContact CZ-CD1 4.2Å; F14-L185 HydrophobicContact CZ-CD2 3.88Å; F117-L185 HydrophobicContact CD1-CD2 4.36Å; F117-L185 HydrophobicContact CE1-CD2 3.73Å; F117-L185 HydrophobicContact CZ-CD2 4.18Å; L157-L185 HydrophobicContact CB-CB 4.4Å; L157-L185 PolarHBondContact N-O 2.78Å; L157-L185 PolarHBondContact O-N 2.89Å; I159-L185 HydrophobicContact CD1-CB 4.41Å; I159-L185 HydrophobicContact CG1-CB 4.31Å; L185-V187 HydrophobicContact CD2-CG2 4.06Å; L185-V187 HydrophobicContact CG-CG2 3.9Å; L185-P232 HydrophobicContact CD1-CB 3.74Å; L185-L322 HydrophobicContact CD1-CD1 4.48Å |
| 186 | V | 98.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 121.7 | 176 | 174.2 | 0 | 0 | 0 | 0 | 108.8 | V156 V216 L217 V220 V231 P232 V233 L234 | V156-V186 HydrophobicContact CG2-CG2 4.33Å; V186-V216 HydrophobicContact CG2-CG1 4.47Å; V186-L217 HydrophobicContact CG2-CD2 3.96Å; V186-V220 HydrophobicContact CG2-CG2 4.45Å; V186-V231 HydrophobicContact CB-CG1 4.46Å; V186-V231 HydrophobicContact CG2-CG1 3.7Å; V186-P232 PolarHBondContact N-O 2.89Å; V186-V233 HydrophobicContact CB-CG2 4.29Å; V186-V233 HydrophobicContact CG1-CG1 4.48Å; V186-V233 CarbonylContact O-C 3.58Å; V186-V233 WeakPolarHBondContact O-CA 3.48Å; V186-L234 PolarHBondContact O-N 2.95Å |
| 187 | V | 98.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 116.7 | 176 | -175.4 | 0 | 0 | 0 | 0 | 108.2 | V60 T62 I110 C154 A155 L157 L185 L234 | V60-V187 HydrophobicContact CG1-CG1 3.84Å; V60-V187 HydrophobicContact CG1-CG2 4.25Å; T62-V187 HydrophobicContact CG2-CG1 3.94Å; I110-V187 HydrophobicContact CD1-CG1 4.39Å; I110-V187 WeakPolarHBondContact CD1-O 3.42Å; I110-V187 HydrophobicContact CG2-CG1 4.24Å; C154-V187 CarbonylContact C-O 3.41Å; C154-V187 WeakPolarHBondContact CA-O 3.15Å; A155-V187 PolarHBondContact N-O 3.2Å; A155-V187 PolarHBondContact O-N 3.01Å; L157-V187 HydrophobicContact CD1-CG2 3.91Å; L157-V187 HydrophobicContact CG-CG2 4.47Å; L185-V187 HydrophobicContact CD2-CG2 4.06Å; L185-V187 HydrophobicContact CG-CG2 3.9Å; V187-L234 HydrophobicContact CG1-CB 4.46Å; V187-L234 HydrophobicContact CG2-CD1 4.43Å |
| 188 | A | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 147.2 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | L153 C154 V213 L234 I235 C236 | L153-A188 CarbonylContact O-C 3.47Å; L153-A188 VanDerWaalsContact O-CA 3.29Å; L153-A188 WeakPolarHBondContact O-CA 3.36Å; C154-A188 HydrophobicContact CB-CB 4.2Å; A188-V213 HydrophobicContact CB-CG2 4Å; A188-L234 PolarHBondContact N-O 3.34Å; A188-I235 HydrophobicContact CB-CG1 4.37Å; A188-I235 HydrophobicContact CB-CG2 4.46Å; A188-I235 WeakPolarHBondContact O-CA 3.47Å; A188-C236 PolarHBondContact O-N 3.35Å |
| 189 | T | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 145.3 | 167.7 | -172.2 | 0 | 0 | 0 | 0 | 111.1 | Q64 C108 I110 G152 L153 C236 | Q64-T189 PolarHBondContact NE2-OG1 2.99Å; C108-T189 HydrophobicContact CB-CG2 3.75Å; I110-T189 HydrophobicContact CD1-CG2 3.99Å; I110-T189 HydrophobicContact CG1-CG2 3.63Å; G152-T189 CarbonylContact C-O 3.58Å; G152-T189 VanDerWaalsContact CA-O 3.25Å; G152-T189 WeakPolarHBondContact CA-O 3.49Å; L153-T189 HydrophobicContact CB-CG2 4.04Å; L153-T189 PolarHBondContact N-O 2.93Å; L153-T189 PolarHBondContact O-N 3.26Å; T189-C236 CarbonylContact C-O 3.56Å; T189-C236 WeakPolarHBondContact CA-O 3.44Å; T189-C236 PolarHBondContact OG1-O 2.64Å |
| 190 | A | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 155.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | F127 I192 L209 C236 G237 D238 | F127-A190 HydrophobicContact CZ-CB 4.38Å; A190-I192 HydrophobicContact CB-CD1 4.14Å; A190-L209 HydrophobicContact CB-CD1 4.28Å; A190-L209 HydrophobicContact CB-CD2 3.76Å; A190-C236 PolarHBondContact N-O 2.8Å; A190-C236 VanDerWaalsContact N-O 3.1Å; A190-G237 VanDerWaalsContact O-CA 3.28Å; A190-G237 WeakPolarHBondContact O-CA 3.33Å; A190-D238 PolarHBondContact O-N 3.4Å |
| 191 | H | 98.3 | Very high | 97.3 | Very high | 9 Ų | 9 | 26.1 Ų | 26.1 | 4% | 0.042 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 97.7 | 166.7 | -175.7 | 174.2 | 0 | 0 | 0 | 107.6 | Q64 E65 N150 I151 D238 | Q64-H191 HydrophobicContact CB-CB 4.24Å; Q64-H191 HydrophobicContact CG-CB 4.08Å; E65-H191 IonicContact OE1-CE1 2.92Å; E65-H191 PolarHBondContact OE1-CE1 3.33Å; N150-H191 WeakPolarHBondContact CB-O 3.44Å; N150-H191 PolarHBondContact ND2-O 3.37Å; I151-H191 PolarHBondContact O-N 3.38Å; H191-D238 WeakPolarHBondContact CA-O 3.43Å; H191-D238 IonicContact CD2-OD2 3.8Å; H191-D238 IonicContact NE2-OD2 3.51Å |
| 192 | I | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.116 | C | C | . | . | trans | -76.2 | 155.1 | -175.6 | -57.6 | -60.8 | 0 | 0 | 0 | 110.4 | F127 A190 W194 K202 Q205 D238 F239 N240 | F127-I192 HydrophobicContact CE2-CD1 3.87Å; F127-I192 HydrophobicContact CZ-CD1 4.1Å; A190-I192 HydrophobicContact CB-CD1 4.14Å; I192-W194 PolarHBondContact O-N 3.47Å; I192-K202 HydrophobicContact CG2-CB 3.73Å; I192-K202 HydrophobicContact CG2-CG 3.98Å; I192-Q205 HydrophobicContact CD1-CB 3.91Å; I192-Q205 HydrophobicContact CG2-CB 4.4Å; I192-D238 PolarHBondContact N-O 3.45Å; I192-F239 HydrophobicContact CG1-CB 4.47Å; I192-F239 HydrophobicContact CG1-CD1 3.81Å; I192-F239 HydrophobicContact CG1-CE1 4.35Å; I192-F239 HydrophobicContact CG1-CG 4.3Å; I192-N240 PolarHBondContact O-ND2 2.88Å | ||
| 193 | H | 98.4 | Very high | 97.7 | Very high | 14 Ų | 14 | 23 Ų | 23 | 7% | 0.065 | 11% | 0.106 | C | C | . | . | trans | -51.6 | 138.5 | -179 | -170.3 | 48.6 | 0 | 0 | 0 | 112.8 | R148 N150 D195 F198 V201 K202 N240 | R148-H193 VanDerWaalsContact CD-CE1 3.5Å; R148-H193 WeakPolarHBondContact CD-CE1 3.45Å; R148-H193 PolarHBondContact NE-CE1 2.74Å; R148-H193 VanDerWaalsContact NE-CE1 3.31Å; R148-H193 PolarHBondContact NE-NE2 2.95Å; R148-H193 VanDerWaalsContact NE-NE2 3.11Å; N150-H193 PolarHBondContact ND2-N 3.34Å; N150-H193 WeakPolarHBondContact OD1-CB 3.46Å; H193-D195 WeakPolarHBondContact NE2-CB 3.44Å; H193-F198 AromaticContact NE2-CG 3.94Å; H193-V201 HydrophobicContact CB-CG1 4.02Å; H193-K202 WeakPolarHBondContact O-CD 3Å; H193-K202 WeakPolarHBondContact O-CE 3.46Å; H193-K202 VanDerWaalsContact O-CG 3.3Å; H193-K202 WeakPolarHBondContact O-CG 3.05Å; H193-N240 VanDerWaalsContact O-CB 3.31Å; H193-N240 WeakPolarHBondContact O-CB 3.34Å | ||
| 194 | W | 95.8 | Very high | 97.8 | Very high | 166 Ų | 166 | 21.4 Ų | 21.4 | 63% | 0.629 | 10% | 0.097 | S | C | * | . | trans | -86.1 | -35.8 | -169.6 | 68.8 | -91.4 | 0 | 0 | 0 | 113.9 | I192 P196 K202 | I192-W194 PolarHBondContact O-N 3.47Å; W194-P196 WeakPolarHBondContact O-CD 3.44Å; W194-K202 WeakPolarHBondContact O-CE 3.16Å; W194-K202 PolarHBondContact O-NZ 2.99Å | ||
| 195 | D | 96.1 | Very high | 97.8 | Very high | 37 Ų | 37 | 21.4 Ų | 21.4 | 20% | 0.198 | 10% | 0.097 | C | C | . | . | trans | -58 | 118.9 | -166.5 | -170.1 | -28.9 | 0 | 0 | 0 | 111.6 | H193 E197 F198 K202 | H193-D195 WeakPolarHBondContact NE2-CB 3.44Å; D195-E197 PolarHBondContact O-N 3.19Å; D195-E197 PolarHBondContact OD1-N 3.38Å; D195-F198 HydrophobicContact CB-CB 4.42Å; D195-F198 HydrophobicContact CB-CD2 3.68Å; D195-F198 HydrophobicContact CB-CE2 4.42Å; D195-F198 HydrophobicContact CB-CG 4.45Å; D195-F198 VanDerWaalsContact CG-CD2 3.41Å; D195-F198 PolarHBondContact O-N 3.42Å; D195-F198 WeakPolarHBondContact OD2-CD2 3.37Å; D195-F198 WeakPolarHBondContact OD2-CE2 3.47Å; D195-K202 WeakPolarHBondContact O-CE 3.3Å; D195-K202 PolarHBondContact O-NZ 2.86Å | ||
| 196 | P | 93.9 | Very high | 97.8 | Very high | 38 Ų | 38 | 21.4 Ų | 21.4 | 25% | 0.247 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -54.4 | -34.1 | 178.3 | -21.4 | 31.2 | 0 | 0 | 0 | 112.3 | W194 F198 L398 C400 | W194-P196 WeakPolarHBondContact O-CD 3.44Å; P196-F198 PolarHBondContact O-N 3.18Å; P196-L398 HydrophobicContact CB-CD2 4.38Å; P196-L398 HydrophobicContact CG-CD2 4.19Å; P196-C400 CarbonylContact C-O 3.56Å; P196-C400 WeakPolarHBondContact CA-O 3.15Å; P196-C400 WeakPolarHBondContact CB-OXT 3.42Å; P196-C400 CarbonylContact O-C 3.01Å; P196-C400 WeakPolarHBondContact O-CB 3.44Å |
| 197 | E | 95.6 | Very high | 97.7 | Very high | 140 Ų | 140 | 21.4 Ų | 21.4 | 65% | 0.654 | 10% | 0.097 | S | C | * | . | G | 310 helix | trans | -70 | -3.7 | 179.1 | -62.1 | -156.3 | 130.1 | 0 | 0 | 114.3 | D195 K264 | D195-E197 PolarHBondContact O-N 3.19Å; D195-E197 PolarHBondContact OD1-N 3.38Å; E197-K264 PolarHBondContact O-NZ 2.95Å |
| 198 | F | 97.1 | Very high | 97.7 | Very high | 31 Ų | 31 | 21.4 Ų | 21.4 | 14% | 0.136 | 10% | 0.097 | C | C | . | . | G | 310 helix | trans | -118.2 | 36.9 | -174.9 | -70.7 | -95.5 | 0 | 0 | 0 | 113.4 | R144 H193 D195 P196 D200 V201 K202 | R144-F198 VanDerWaalsContact NH2-CD1 3.31Å; H193-F198 AromaticContact NE2-CG 3.94Å; D195-F198 HydrophobicContact CB-CB 4.42Å; D195-F198 HydrophobicContact CB-CD2 3.68Å; D195-F198 HydrophobicContact CB-CE2 4.42Å; D195-F198 HydrophobicContact CB-CG 4.45Å; D195-F198 VanDerWaalsContact CG-CD2 3.41Å; D195-F198 PolarHBondContact O-N 3.42Å; D195-F198 WeakPolarHBondContact OD2-CD2 3.37Å; D195-F198 WeakPolarHBondContact OD2-CE2 3.47Å; P196-F198 PolarHBondContact O-N 3.18Å; F198-D200 WeakPolarHBondContact CA-OD1 3.33Å; F198-D200 PolarHBondContact O-N 3.09Å; F198-V201 HydrophobicContact CB-CB 4.02Å; F198-V201 HydrophobicContact CB-CG2 3.97Å; F198-V201 HydrophobicContact CD1-CG2 3.59Å; F198-V201 HydrophobicContact CG-CG2 4.24Å; F198-V201 WeakPolarHBondContact O-CA 3.49Å; F198-V201 WeakPolarHBondContact O-CB 3.15Å; F198-V201 PolarHBondContact O-N 3.03Å; F198-K202 WeakPolarHBondContact O-CG 3.37Å; F198-K202 PolarHBondContact O-N 3.13Å |
| 199 | C | 97.3 | Very high | 97.7 | Very high | 5 Ų | 5 | 21.4 Ų | 21.4 | 3% | 0.034 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -48 | -31.3 | 170.7 | 49.2 | 0 | 0 | 0 | 0 | 113.9 | K202 L203 D262 K264 C400 | C199-K202 PolarHBondContact O-N 2.92Å; C199-L203 VanDerWaalsContact O-CB 3.3Å; C199-L203 WeakPolarHBondContact O-CB 3.31Å; C199-L203 PolarHBondContact O-N 3.23Å; C199-D262 HydrophobicContact CB-CB 4.07Å; C199-K264 WeakPolarHBondContact SG-CE 3.35Å; C199-C400 HydrophobicContact CB-CB 3.5Å; C199-C400 VanDerWaalsContact CB-CB 3.5Å; C199-C400 WeakPolarHBondContact CB-SG 3.27Å; C199-C400 WeakPolarHBondContact SG-CB 3.28Å; C199-C400 CovalentContact SG-SG 2.06Å; C199-C400 PolarHBondContact SG-SG 3.36Å |
| 200 | D | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -68.2 | -41.4 | 174.4 | 60.8 | -47.9 | 0 | 0 | 0 | 112.9 | R144 F198 L203 V204 D262 K264 F266 | R144-D200 IonicContact CZ-OD1 3.79Å; R144-D200 IonicContact CZ-OD2 3.29Å; R144-D200 VanDerWaalsContact CZ-OD2 3.29Å; R144-D200 IonicContact NE-OD1 3.9Å; R144-D200 IonicContact NE-OD2 2.66Å; R144-D200 PolarHBondContact NE-OD2 3.19Å; R144-D200 VanDerWaalsContact NH2-CG 3.35Å; R144-D200 IonicContact NH2-OD1 2.83Å; R144-D200 PolarHBondContact NH2-OD1 2.69Å; R144-D200 IonicContact NH2-OD2 3.08Å; R144-D200 PolarHBondContact NH2-OD2 2.94Å; R144-D200 VanDerWaalsContact NH2-OD2 3.08Å; F198-D200 WeakPolarHBondContact CA-OD1 3.33Å; F198-D200 PolarHBondContact O-N 3.09Å; D200-L203 PolarHBondContact O-N 3.29Å; D200-V204 VanDerWaalsContact O-CG2 3.3Å; D200-V204 WeakPolarHBondContact O-CG2 3.49Å; D200-V204 PolarHBondContact O-N 2.78Å; D200-D262 WeakPolarHBondContact CA-O 3.29Å; D200-D262 WeakPolarHBondContact CB-O 3.47Å; D200-D262 PolarHBondContact N-O 2.88Å; D200-D262 VanDerWaalsContact N-O 3.12Å; D200-K264 HydrophobicContact CB-CB 4.13Å; D200-K264 HydrophobicContact CB-CD 4.32Å; D200-K264 HydrophobicContact CB-CG 4.22Å; D200-F266 HydrophobicContact CB-CD2 3.92Å; D200-F266 HydrophobicContact CB-CE2 4.19Å; D200-F266 WeakPolarHBondContact OD2-CE2 3.5Å |
| 201 | V | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.9 | -43.7 | 174 | 176.2 | 0 | 0 | 0 | 0 | 110.3 | R144 V145 R148 H193 F198 L203 V204 Q205 | R144-V201 HydrophobicContact CB-CG2 4.03Å; R144-V201 WeakPolarHBondContact O-CG2 3.44Å; V145-V201 HydrophobicContact CG2-CB 4.28Å; V145-V201 HydrophobicContact CG2-CG1 4.13Å; V145-V201 HydrophobicContact CG2-CG2 3.94Å; R148-V201 HydrophobicContact CG-CG1 4.13Å; H193-V201 HydrophobicContact CB-CG1 4.02Å; F198-V201 HydrophobicContact CB-CB 4.02Å; F198-V201 HydrophobicContact CB-CG2 3.97Å; F198-V201 HydrophobicContact CD1-CG2 3.59Å; F198-V201 HydrophobicContact CG-CG2 4.24Å; F198-V201 WeakPolarHBondContact O-CA 3.49Å; F198-V201 WeakPolarHBondContact O-CB 3.15Å; F198-V201 PolarHBondContact O-N 3.03Å; V201-L203 VanDerWaalsContact C-N 3.31Å; V201-L203 PolarHBondContact O-N 2.91Å; V201-V204 PolarHBondContact O-N 3.24Å; V201-Q205 HydrophobicContact CG1-CG 4.17Å; V201-Q205 WeakPolarHBondContact O-CB 3.48Å; V201-Q205 VanDerWaalsContact O-CG 3.3Å; V201-Q205 WeakPolarHBondContact O-CG 3.46Å; V201-Q205 PolarHBondContact O-N 3.44Å |
| 202 | K | 98.6 | Very high | 97.6 | Very high | 9 Ų | 9 | 23.4 Ų | 23.4 | 4% | 0.039 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.6 | -46.3 | 177.8 | -59.7 | -178.3 | -171.6 | 179 | 0 | 111.1 | I192 H193 W194 D195 F198 C199 S206 N240 V247 | I192-K202 HydrophobicContact CG2-CB 3.73Å; I192-K202 HydrophobicContact CG2-CG 3.98Å; H193-K202 WeakPolarHBondContact O-CD 3Å; H193-K202 WeakPolarHBondContact O-CE 3.46Å; H193-K202 VanDerWaalsContact O-CG 3.3Å; H193-K202 WeakPolarHBondContact O-CG 3.05Å; W194-K202 WeakPolarHBondContact O-CE 3.16Å; W194-K202 PolarHBondContact O-NZ 2.99Å; D195-K202 WeakPolarHBondContact O-CE 3.3Å; D195-K202 PolarHBondContact O-NZ 2.86Å; F198-K202 WeakPolarHBondContact O-CG 3.37Å; F198-K202 PolarHBondContact O-N 3.13Å; C199-K202 PolarHBondContact O-N 2.92Å; K202-S206 WeakPolarHBondContact O-CB 3.33Å; K202-S206 PolarHBondContact O-N 3.5Å; K202-S206 PolarHBondContact O-OG 3.42Å; K202-N240 HydrophobicContact CD-CB 4.4Å; K202-N240 WeakPolarHBondContact CD-O 3.37Å; K202-N240 WeakPolarHBondContact CE-O 3.25Å; K202-N240 PolarHBondContact NZ-O 3.5Å; K202-V247 HydrophobicContact CB-CG2 3.91Å |
| 203 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.5 | -46.1 | 178 | -179.6 | 52.3 | 0 | 0 | 0 | 112.2 | C199 D200 V201 S206 M207 G246 V247 Y250 I256 D262 L263 | C199-L203 VanDerWaalsContact O-CB 3.3Å; C199-L203 WeakPolarHBondContact O-CB 3.31Å; C199-L203 PolarHBondContact O-N 3.23Å; D200-L203 PolarHBondContact O-N 3.29Å; V201-L203 VanDerWaalsContact C-N 3.31Å; V201-L203 PolarHBondContact O-N 2.91Å; L203-S206 WeakPolarHBondContact O-CB 3.4Å; L203-S206 PolarHBondContact O-N 2.82Å; L203-M207 HydrophobicContact CD1-CE 3.87Å; L203-M207 HydrophobicContact CD2-CE 4.29Å; L203-M207 HydrophobicContact CG-CE 3.84Å; L203-M207 WeakPolarHBondContact O-CG 3.45Å; L203-M207 PolarHBondContact O-N 2.86Å; L203-G246 WeakPolarHBondContact CD1-O 3.37Å; L203-V247 HydrophobicContact CB-CG2 4.07Å; L203-V247 HydrophobicContact CD1-CG2 4.41Å; L203-Y250 HydrophobicContact CD1-CD1 4.47Å; L203-Y250 HydrophobicContact CD1-CG 4.23Å; L203-I256 HydrophobicContact CD1-CD1 4.32Å; L203-I256 HydrophobicContact CD2-CD1 3.84Å; L203-D262 HydrophobicContact CD2-CB 4.2Å; L203-L263 HydrophobicContact CD2-CD2 3.51Å; L203-L263 HydrophobicContact CD2-CG 3.7Å; L203-L263 HydrophobicContact CG-CD2 4.05Å |
| 204 | V | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.3 | -37 | 179.3 | 180 | 0 | 0 | 0 | 0 | 112.4 | M141 V145 D200 V201 S206 M207 M208 F266 L272 | M141-V204 HydrophobicContact CE-CB 4.08Å; M141-V204 HydrophobicContact CE-CG1 3.37Å; M141-V204 HydrophobicContact CE-CG2 4.25Å; M141-V204 HydrophobicContact SD-CG1 4.25Å; V145-V204 HydrophobicContact CG2-CB 4.47Å; D200-V204 VanDerWaalsContact O-CG2 3.3Å; D200-V204 WeakPolarHBondContact O-CG2 3.49Å; D200-V204 PolarHBondContact O-N 2.78Å; V201-V204 PolarHBondContact O-N 3.24Å; V204-S206 VanDerWaalsContact C-N 3.26Å; V204-S206 PolarHBondContact O-N 2.85Å; V204-M207 WeakPolarHBondContact O-CB 3.45Å; V204-M207 PolarHBondContact O-N 2.97Å; V204-M207 VanDerWaalsContact O-N 3.16Å; V204-M208 HydrophobicContact CG1-CE 3.71Å; V204-M208 WeakPolarHBondContact O-CG 3.38Å; V204-M208 PolarHBondContact O-N 2.86Å; V204-F266 HydrophobicContact CG2-CD1 4.39Å; V204-F266 HydrophobicContact CG2-CD2 4.26Å; V204-F266 HydrophobicContact CG2-CE2 4.37Å; V204-F266 HydrophobicContact CG2-CG 4.24Å; V204-L272 HydrophobicContact CG1-CD2 4.26Å; V204-L272 HydrophobicContact CG2-CD2 3.82Å |
| 205 | Q | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.5 | -38.5 | 171.6 | -74.1 | -179.5 | -13.3 | 0 | 0 | 111.3 | F127 V145 N150 I192 V201 M208 L209 | F127-Q205 HydrophobicContact CB-CG 4.11Å; F127-Q205 HydrophobicContact CD2-CB 3.99Å; F127-Q205 HydrophobicContact CD2-CG 3.85Å; F127-Q205 HydrophobicContact CE2-CB 4.23Å; F127-Q205 HydrophobicContact CG-CB 4.27Å; F127-Q205 HydrophobicContact CG-CG 4.07Å; V145-Q205 HydrophobicContact CG1-CG 4.47Å; N150-Q205 PolarHBondContact OD1-NE2 2.85Å; I192-Q205 HydrophobicContact CD1-CB 3.91Å; I192-Q205 HydrophobicContact CG2-CB 4.4Å; V201-Q205 HydrophobicContact CG1-CG 4.17Å; V201-Q205 WeakPolarHBondContact O-CB 3.48Å; V201-Q205 VanDerWaalsContact O-CG 3.3Å; V201-Q205 WeakPolarHBondContact O-CG 3.46Å; V201-Q205 PolarHBondContact O-N 3.44Å; Q205-M208 WeakPolarHBondContact O-CB 3.48Å; Q205-M208 PolarHBondContact O-N 3.07Å; Q205-L209 PolarHBondContact O-N 2.84Å |
| 206 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.6 | -36.5 | 174.5 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | K202 L203 V204 L209 T210 V247 | K202-S206 WeakPolarHBondContact O-CB 3.33Å; K202-S206 PolarHBondContact O-N 3.5Å; K202-S206 PolarHBondContact O-OG 3.42Å; L203-S206 WeakPolarHBondContact O-CB 3.4Å; L203-S206 PolarHBondContact O-N 2.82Å; V204-S206 VanDerWaalsContact C-N 3.26Å; V204-S206 PolarHBondContact O-N 2.85Å; S206-L209 WeakPolarHBondContact O-CB 3.28Å; S206-L209 PolarHBondContact O-N 3.26Å; S206-T210 PolarHBondContact O-N 3.39Å; S206-T210 VanDerWaalsContact O-N 3.09Å; S206-T210 PolarHBondContact O-OG1 3.02Å; S206-V247 WeakPolarHBondContact OG-CG1 3.19Å |
| 207 | M | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -65.5 | -39.2 | 171.4 | -65.2 | 175.2 | 177.2 | 0 | 0 | 112.3 | L203 V204 L209 T210 H211 Y250 I256 L263 L272 F275 I284 | L203-M207 HydrophobicContact CD1-CE 3.87Å; L203-M207 HydrophobicContact CD2-CE 4.29Å; L203-M207 HydrophobicContact CG-CE 3.84Å; L203-M207 WeakPolarHBondContact O-CG 3.45Å; L203-M207 PolarHBondContact O-N 2.86Å; V204-M207 WeakPolarHBondContact O-CB 3.45Å; V204-M207 PolarHBondContact O-N 2.97Å; V204-M207 VanDerWaalsContact O-N 3.16Å; M207-L209 VanDerWaalsContact C-N 3.34Å; M207-T210 PolarHBondContact O-OG1 2.73Å; M207-T210 VanDerWaalsContact O-OG1 3.08Å; M207-H211 VanDerWaalsContact O-CB 3.22Å; M207-H211 WeakPolarHBondContact O-CB 3.46Å; M207-H211 PolarHBondContact O-N 3.16Å; M207-Y250 HydrophobicContact CB-CE1 4.33Å; M207-Y250 HydrophobicContact CE-CD2 4.34Å; M207-Y250 HydrophobicContact CE-CE2 4.38Å; M207-Y250 HydrophobicContact CG-CD1 4.34Å; M207-Y250 HydrophobicContact CG-CE1 3.8Å; M207-Y250 HydrophobicContact CG-CE2 4.09Å; M207-I256 HydrophobicContact CE-CG2 3.76Å; M207-L263 HydrophobicContact CE-CD2 4.06Å; M207-L272 HydrophobicContact SD-CD2 4.34Å; M207-F275 HydrophobicContact CB-CB 4.28Å; M207-I284 HydrophobicContact CE-CB 4.08Å; M207-I284 HydrophobicContact CE-CD1 3.79Å; M207-I284 HydrophobicContact CE-CG2 3.69Å; M207-I284 HydrophobicContact CG-CG2 4.43Å; M207-I284 HydrophobicContact SD-CD1 4.3Å; M207-I284 HydrophobicContact SD-CG2 3.79Å |
| 208 | M | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -65.8 | -38.7 | 174.7 | -68.6 | 174 | -178.9 | 0 | 0 | 111.5 | F127 V130 A131 M141 V145 V204 Q205 H211 E212 F275 | F127-M208 HydrophobicContact CB-SD 4.06Å; F127-M208 HydrophobicContact CD1-CB 3.81Å; F127-M208 HydrophobicContact CE1-CB 4.3Å; V130-M208 HydrophobicContact CB-CG 4.42Å; V130-M208 HydrophobicContact CB-SD 4.16Å; V130-M208 HydrophobicContact CG1-CB 4.13Å; V130-M208 HydrophobicContact CG1-CG 3.87Å; V130-M208 HydrophobicContact CG1-SD 4.17Å; A131-M208 HydrophobicContact CB-CE 3.58Å; A131-M208 HydrophobicContact CB-SD 4.36Å; M141-M208 HydrophobicContact CE-CE 4.24Å; M141-M208 HydrophobicContact SD-CE 3.53Å; M141-M208 VanDerWaalsContact SD-CE 3.53Å; V145-M208 HydrophobicContact CG1-CE 4.11Å; V145-M208 HydrophobicContact CG1-SD 4.38Å; V204-M208 HydrophobicContact CG1-CE 3.71Å; V204-M208 WeakPolarHBondContact O-CG 3.38Å; V204-M208 PolarHBondContact O-N 2.86Å; Q205-M208 WeakPolarHBondContact O-CB 3.48Å; Q205-M208 PolarHBondContact O-N 3.07Å; M208-H211 PolarHBondContact O-N 3.25Å; M208-E212 WeakPolarHBondContact O-CB 3.48Å; M208-E212 WeakPolarHBondContact O-CG 3.46Å; M208-E212 PolarHBondContact O-N 3.21Å; M208-F275 HydrophobicContact CE-CE1 4.35Å; M208-F275 HydrophobicContact CE-CE2 4.08Å; M208-F275 HydrophobicContact CE-CZ 3.65Å; M208-F275 HydrophobicContact CG-CD1 4.26Å; M208-F275 HydrophobicContact CG-CE1 3.79Å; M208-F275 HydrophobicContact CG-CZ 4.01Å |
| 209 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.9 | -53 | 176.1 | 178.1 | 62.1 | 0 | 0 | 0 | 111.6 | F125 F127 A190 Q205 S206 M207 H211 E212 V213 I235 F239 | F125-L209 HydrophobicContact CD2-CD1 3.82Å; F125-L209 HydrophobicContact CE2-CD1 4.17Å; F127-L209 HydrophobicContact CE1-CB 4.03Å; F127-L209 HydrophobicContact CZ-CB 4.19Å; A190-L209 HydrophobicContact CB-CD1 4.28Å; A190-L209 HydrophobicContact CB-CD2 3.76Å; Q205-L209 PolarHBondContact O-N 2.84Å; S206-L209 WeakPolarHBondContact O-CB 3.28Å; S206-L209 PolarHBondContact O-N 3.26Å; M207-L209 VanDerWaalsContact C-N 3.34Å; L209-H211 VanDerWaalsContact C-N 3.28Å; L209-H211 PolarHBondContact O-N 3.09Å; L209-E212 PolarHBondContact O-N 2.71Å; L209-V213 HydrophobicContact CD1-CG2 4.35Å; L209-V213 VanDerWaalsContact O-CG2 3.31Å; L209-V213 WeakPolarHBondContact O-CG2 3.05Å; L209-V213 PolarHBondContact O-N 2.9Å; L209-I235 HydrophobicContact CD2-CG2 3.73Å; L209-I235 HydrophobicContact CG-CG2 4.39Å; L209-F239 HydrophobicContact CD2-CE1 3.99Å; L209-F239 HydrophobicContact CD2-CZ 4.12Å |
| 210 | T | 98.4 | Very high | 98.1 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65 | -33.8 | 179 | 57.7 | 0 | 0 | 0 | 0 | 112 | S206 M207 S214 Y250 L251 H286 L288 | S206-T210 PolarHBondContact O-N 3.39Å; S206-T210 VanDerWaalsContact O-N 3.09Å; S206-T210 PolarHBondContact O-OG1 3.02Å; M207-T210 PolarHBondContact O-OG1 2.73Å; M207-T210 VanDerWaalsContact O-OG1 3.08Å; T210-S214 WeakPolarHBondContact O-CB 3.42Å; T210-S214 PolarHBondContact O-N 3.18Å; T210-S214 PolarHBondContact O-OG 3.17Å; T210-Y250 HydrophobicContact CG2-CE1 3.94Å; T210-Y250 PolarHBondContact OG1-OH 3.02Å; T210-L251 HydrophobicContact CG2-CD2 3.5Å; T210-H286 HydrophobicContact CG2-CB 4.48Å; T210-L288 HydrophobicContact CG2-CD1 4.23Å |
| 211 | H | 97.4 | Very high | 98.1 | Very high | 34 Ų | 34 | 16.9 Ų | 16.9 | 16% | 0.157 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.3 | -50.1 | 174.2 | -177.1 | 74.6 | 0 | 0 | 0 | 112 | K134 M207 M208 L209 S214 R215 F275 | K134-H211 WeakPolarHBondContact CE-NE2 3.38Å; K134-H211 PolarHBondContact NZ-CE1 3.13Å; K134-H211 PolarHBondContact NZ-NE2 2.85Å; M207-H211 VanDerWaalsContact O-CB 3.22Å; M207-H211 WeakPolarHBondContact O-CB 3.46Å; M207-H211 PolarHBondContact O-N 3.16Å; M208-H211 PolarHBondContact O-N 3.25Å; L209-H211 VanDerWaalsContact C-N 3.28Å; L209-H211 PolarHBondContact O-N 3.09Å; H211-S214 WeakPolarHBondContact O-CB 3.21Å; H211-S214 PolarHBondContact O-N 3.01Å; H211-R215 PolarHBondContact O-N 3.16Å; H211-F275 HydrophobicContact CB-CD1 4.18Å |
| 212 | E | 98.3 | Very high | 98.1 | Very high | 17 Ų | 17 | 24.2 Ų | 24.2 | 8% | 0.079 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.4 | -36.8 | 179.3 | -74.9 | -61.7 | 114.7 | 0 | 0 | 112.2 | F125 V130 M208 L209 S214 R215 V216 | F125-E212 HydrophobicContact CB-CB 4.48Å; F125-E212 HydrophobicContact CB-CG 4.45Å; F125-E212 HydrophobicContact CD1-CB 3.58Å; F125-E212 HydrophobicContact CD1-CG 3.99Å; F125-E212 HydrophobicContact CD2-CB 3.99Å; F125-E212 HydrophobicContact CE1-CB 3.66Å; F125-E212 HydrophobicContact CE1-CG 4.46Å; F125-E212 HydrophobicContact CE2-CB 4.04Å; F125-E212 HydrophobicContact CG-CB 3.76Å; F125-E212 HydrophobicContact CG-CG 4.19Å; F125-E212 HydrophobicContact CZ-CB 3.87Å; V130-E212 HydrophobicContact CG2-CG 3.99Å; M208-E212 WeakPolarHBondContact O-CB 3.48Å; M208-E212 WeakPolarHBondContact O-CG 3.46Å; M208-E212 PolarHBondContact O-N 3.21Å; L209-E212 PolarHBondContact O-N 2.71Å; E212-S214 VanDerWaalsContact C-N 3.32Å; E212-S214 PolarHBondContact O-N 2.78Å; E212-R215 WeakPolarHBondContact O-CB 3.08Å; E212-R215 PolarHBondContact O-N 3.32Å; E212-R215 IonicContact OE1-NE 2.63Å; E212-R215 IonicContact OE2-CZ 3.35Å; E212-R215 VanDerWaalsContact OE2-CZ 3.26Å; E212-R215 IonicContact OE2-NE 2.71Å; E212-R215 PolarHBondContact OE2-NE 2.78Å; E212-R215 IonicContact OE2-NH2 2.64Å; E212-R215 PolarHBondContact OE2-NH2 2.72Å; E212-V216 WeakPolarHBondContact O-CG2 3.28Å; E212-V216 PolarHBondContact O-N 3.39Å |
| 213 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 171.2 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | F125 A188 L209 R215 V216 L217 V233 I235 L288 | F125-V213 HydrophobicContact CE2-CG2 3.87Å; F125-V213 HydrophobicContact CZ-CG2 4.4Å; A188-V213 HydrophobicContact CB-CG2 4Å; L209-V213 HydrophobicContact CD1-CG2 4.35Å; L209-V213 VanDerWaalsContact O-CG2 3.31Å; L209-V213 WeakPolarHBondContact O-CG2 3.05Å; L209-V213 PolarHBondContact O-N 2.9Å; V213-R215 VanDerWaalsContact C-N 3.31Å; V213-R215 PolarHBondContact O-N 3.07Å; V213-V216 WeakPolarHBondContact O-CB 3.36Å; V213-V216 PolarHBondContact O-N 3.42Å; V213-V216 VanDerWaalsContact O-N 3.13Å; V213-L217 WeakPolarHBondContact O-CG 3.48Å; V213-L217 PolarHBondContact O-N 3.22Å; V213-V233 HydrophobicContact CG1-CG1 4Å; V213-I235 HydrophobicContact CG1-CD1 4.47Å; V213-I235 HydrophobicContact CG2-CD1 4.24Å; V213-L288 HydrophobicContact CB-CD1 3.93Å; V213-L288 HydrophobicContact CG1-CD1 3.63Å; V213-L288 HydrophobicContact CG1-CD2 4.23Å |
| 214 | S | 97.5 | Very high | 97.9 | Very high | 6 Ų | 6 | 31.5 Ų | 31.5 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.2 | -38.7 | 176.5 | -56.8 | 0 | 0 | 0 | 0 | 112 | T210 H211 E212 V216 L217 E218 | T210-S214 WeakPolarHBondContact O-CB 3.42Å; T210-S214 PolarHBondContact O-N 3.18Å; T210-S214 PolarHBondContact O-OG 3.17Å; H211-S214 WeakPolarHBondContact O-CB 3.21Å; H211-S214 PolarHBondContact O-N 3.01Å; E212-S214 VanDerWaalsContact C-N 3.32Å; E212-S214 PolarHBondContact O-N 2.78Å; S214-V216 PolarHBondContact O-N 3.4Å; S214-L217 WeakPolarHBondContact O-CB 3.49Å; S214-L217 PolarHBondContact O-N 3.06Å; S214-E218 PolarHBondContact O-N 2.88Å |
| 215 | R | 97.3 | Very high | 97.8 | Very high | 99 Ų | 99 | 40.1 Ų | 40.1 | 37% | 0.374 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 172.8 | -173.8 | -177.9 | 67.5 | 75.7 | 0.4 | 112.2 | H211 E212 V213 L217 E218 E219 | H211-R215 PolarHBondContact O-N 3.16Å; E212-R215 WeakPolarHBondContact O-CB 3.08Å; E212-R215 PolarHBondContact O-N 3.32Å; E212-R215 IonicContact OE1-NE 2.63Å; E212-R215 IonicContact OE2-CZ 3.35Å; E212-R215 VanDerWaalsContact OE2-CZ 3.26Å; E212-R215 IonicContact OE2-NE 2.71Å; E212-R215 PolarHBondContact OE2-NE 2.78Å; E212-R215 IonicContact OE2-NH2 2.64Å; E212-R215 PolarHBondContact OE2-NH2 2.72Å; V213-R215 VanDerWaalsContact C-N 3.31Å; V213-R215 PolarHBondContact O-N 3.07Å; R215-L217 VanDerWaalsContact C-N 3.34Å; R215-E218 PolarHBondContact O-N 2.68Å; R215-E219 PolarHBondContact O-N 3.33Å |
| 216 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.6 | -42 | 173.5 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | Y123 F125 V156 V186 E212 V213 S214 E218 E219 V220 | Y123-V216 HydrophobicContact CD1-CG2 3.89Å; Y123-V216 HydrophobicContact CD2-CG1 4.15Å; Y123-V216 HydrophobicContact CD2-CG2 3.79Å; Y123-V216 HydrophobicContact CE1-CG2 4.01Å; Y123-V216 HydrophobicContact CE2-CG1 3.76Å; Y123-V216 HydrophobicContact CE2-CG2 3.95Å; Y123-V216 HydrophobicContact CG-CG2 3.75Å; F125-V216 HydrophobicContact CE1-CG2 4.04Å; F125-V216 HydrophobicContact CZ-CG2 3.88Å; V156-V216 HydrophobicContact CG2-CG1 3.87Å; V186-V216 HydrophobicContact CG2-CG1 4.47Å; E212-V216 WeakPolarHBondContact O-CG2 3.28Å; E212-V216 PolarHBondContact O-N 3.39Å; V213-V216 WeakPolarHBondContact O-CB 3.36Å; V213-V216 PolarHBondContact O-N 3.42Å; V213-V216 VanDerWaalsContact O-N 3.13Å; S214-V216 PolarHBondContact O-N 3.4Å; V216-E218 VanDerWaalsContact C-N 3.32Å; V216-E218 PolarHBondContact O-N 2.97Å; V216-E219 PolarHBondContact O-N 3.05Å; V216-E219 VanDerWaalsContact O-N 3.13Å; V216-V220 HydrophobicContact CG1-CG2 3.99Å; V216-V220 WeakPolarHBondContact O-CG2 3.31Å; V216-V220 PolarHBondContact O-N 2.93Å |
| 217 | L | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.7 | -38.6 | 177.1 | -69.9 | -174.6 | 0 | 0 | 0 | 113 | V186 V213 S214 R215 E219 V220 S221 Q228 V231 V233 L288 | V186-L217 HydrophobicContact CG2-CD2 3.96Å; V213-L217 WeakPolarHBondContact O-CG 3.48Å; V213-L217 PolarHBondContact O-N 3.22Å; S214-L217 WeakPolarHBondContact O-CB 3.49Å; S214-L217 PolarHBondContact O-N 3.06Å; R215-L217 VanDerWaalsContact C-N 3.34Å; L217-E219 VanDerWaalsContact C-N 3.31Å; L217-E219 PolarHBondContact O-N 2.63Å; L217-V220 PolarHBondContact O-N 3.31Å; L217-S221 WeakPolarHBondContact O-CB 3.22Å; L217-S221 PolarHBondContact O-N 2.89Å; L217-S221 PolarHBondContact O-OG 3.32Å; L217-Q228 HydrophobicContact CB-CB 4.26Å; L217-Q228 HydrophobicContact CB-CG 4.13Å; L217-V231 HydrophobicContact CD2-CB 3.68Å; L217-V231 HydrophobicContact CD2-CG1 3.51Å; L217-V231 HydrophobicContact CD2-CG2 4.19Å; L217-V233 HydrophobicContact CD1-CG2 4.02Å; L217-V233 HydrophobicContact CD2-CG2 3.78Å; L217-V233 HydrophobicContact CG-CG2 4.36Å; L217-L288 HydrophobicContact CD1-CD2 3.3Å; L217-L288 HydrophobicContact CG-CD2 4.5Å |
| 218 | E | 97.5 | Very high | 97.1 | Very high | 90 Ų | 90 | 47.4 Ų | 47.4 | 42% | 0.421 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.2 | -39.5 | 173.8 | -75.4 | 176.3 | -159.9 | 0 | 0 | 113.1 | S214 R215 V216 S221 K222 | S214-E218 PolarHBondContact O-N 2.88Å; R215-E218 PolarHBondContact O-N 2.68Å; V216-E218 VanDerWaalsContact C-N 3.32Å; V216-E218 PolarHBondContact O-N 2.97Å; E218-S221 PolarHBondContact O-OG 3.37Å; E218-K222 WeakPolarHBondContact O-CD 3.43Å; E218-K222 VanDerWaalsContact O-CG 3.28Å; E218-K222 WeakPolarHBondContact O-CG 3.44Å; E218-K222 PolarHBondContact O-N 3.39Å |
| 219 | E | 98.1 | Very high | 96.8 | Very high | 74 Ų | 74 | 51.8 Ų | 51.8 | 35% | 0.346 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -70.2 | -48 | 177.8 | -169.1 | -173.9 | 155.4 | 0 | 0 | 110.8 | K121 Y123 R215 V216 L217 K222 K223 | K121-E219 IonicContact NZ-OE1 3.52Å; K121-E219 PolarHBondContact NZ-OE1 2.87Å; K121-E219 IonicContact NZ-OE2 2.68Å; K121-E219 PolarHBondContact NZ-OE2 2.99Å; Y123-E219 WeakPolarHBondContact CE1-OE2 3.33Å; Y123-E219 PolarHBondContact OH-OE1 3Å; Y123-E219 PolarHBondContact OH-OE2 2.9Å; R215-E219 PolarHBondContact O-N 3.33Å; V216-E219 PolarHBondContact O-N 3.05Å; V216-E219 VanDerWaalsContact O-N 3.13Å; L217-E219 VanDerWaalsContact C-N 3.31Å; L217-E219 PolarHBondContact O-N 2.63Å; E219-K222 PolarHBondContact O-N 3.41Å; E219-K223 PolarHBondContact O-N 3.43Å; E219-K223 VanDerWaalsContact O-N 3.08Å |
| 220 | V | 98.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.024 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -63.7 | -45.4 | -179.5 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | V156 P184 V186 V216 L217 K222 K223 Y224 V231 | V156-V220 HydrophobicContact CB-CG2 4.47Å; V156-V220 HydrophobicContact CG1-CG2 3.91Å; V156-V220 HydrophobicContact CG2-CG2 3.68Å; P184-V220 HydrophobicContact CB-CG1 3.63Å; P184-V220 HydrophobicContact CG-CG1 3.59Å; V186-V220 HydrophobicContact CG2-CG2 4.45Å; V216-V220 HydrophobicContact CG1-CG2 3.99Å; V216-V220 WeakPolarHBondContact O-CG2 3.31Å; V216-V220 PolarHBondContact O-N 2.93Å; L217-V220 PolarHBondContact O-N 3.31Å; V220-K222 VanDerWaalsContact C-N 3.29Å; V220-K222 PolarHBondContact O-N 2.72Å; V220-K223 PolarHBondContact O-N 3.23Å; V220-K223 VanDerWaalsContact O-N 3.17Å; V220-Y224 HydrophobicContact CG1-CD2 3.74Å; V220-Y224 HydrophobicContact CG1-CE2 4.12Å; V220-Y224 WeakPolarHBondContact O-CD2 3.39Å; V220-Y224 PolarHBondContact O-N 3.09Å; V220-V231 HydrophobicContact CG1-CG1 4.11Å; V220-V231 HydrophobicContact CG1-CG2 4Å |
| 221 | S | 96.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 53.8 Ų | 53.8 | 11% | 0.112 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.4 | -40.3 | -178.2 | 77.6 | 0 | 0 | 0 | 0 | 111.5 | L217 E218 Q225 I226 | L217-S221 WeakPolarHBondContact O-CB 3.22Å; L217-S221 PolarHBondContact O-N 2.89Å; L217-S221 PolarHBondContact O-OG 3.32Å; E218-S221 PolarHBondContact O-OG 3.37Å; S221-Q225 WeakPolarHBondContact O-CA 3.45Å; S221-Q225 PolarHBondContact O-N 3.44Å; S221-I226 CarbonylContact C-O 3.56Å; S221-I226 WeakPolarHBondContact CA-O 3.39Å; S221-I226 WeakPolarHBondContact CB-O 3.3Å; S221-I226 PolarHBondContact O-N 3.09Å; S221-I226 VanDerWaalsContact O-N 3.08Å; S221-I226 VanDerWaalsContact O-O 3.04Å |
| 222 | K | 97.5 | Very high | 96.5 | Very high | 155 Ų | 155 | 52.4 Ų | 52.4 | 67% | 0.674 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -65.9 | -46.5 | 175 | -71 | 170.7 | -173 | 168.7 | 0 | 111.9 | E218 E219 V220 Q225 | E218-K222 WeakPolarHBondContact O-CD 3.43Å; E218-K222 VanDerWaalsContact O-CG 3.28Å; E218-K222 WeakPolarHBondContact O-CG 3.44Å; E218-K222 PolarHBondContact O-N 3.39Å; E219-K222 PolarHBondContact O-N 3.41Å; V220-K222 VanDerWaalsContact C-N 3.29Å; V220-K222 PolarHBondContact O-N 2.72Å; K222-Q225 PolarHBondContact O-N 2.83Å |
| 223 | K | 97.4 | Very high | 96.5 | Very high | 114 Ų | 114 | 51.6 Ų | 51.6 | 50% | 0.496 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.3 | -44 | -178.5 | 178.7 | 175.3 | 178 | 178.3 | 0 | 112.5 | D120 E219 V220 | D120-K223 IonicContact OD1-NZ 3.67Å; D120-K223 PolarHBondContact OD1-NZ 2.89Å; D120-K223 WeakPolarHBondContact OD2-CE 3.42Å; D120-K223 IonicContact OD2-NZ 2.67Å; D120-K223 PolarHBondContact OD2-NZ 3.08Å; E219-K223 PolarHBondContact O-N 3.43Å; E219-K223 VanDerWaalsContact O-N 3.08Å; V220-K223 PolarHBondContact O-N 3.23Å; V220-K223 VanDerWaalsContact O-N 3.17Å |
| 224 | Y | 95.3 | Very high | 96.5 | Very high | 47 Ų | 47 | 51.6 Ų | 51.6 | 18% | 0.184 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -91.8 | 1.5 | -176.5 | -70.6 | -96 | 0 | 0 | 0 | 113.3 | D120 G182 P184 V220 I226 | D120-Y224 PolarHBondContact OD2-OH 3.26Å; G182-Y224 WeakPolarHBondContact O-CE1 3.29Å; P184-Y224 HydrophobicContact CB-CD1 4.28Å; P184-Y224 HydrophobicContact CB-CD2 4.04Å; P184-Y224 HydrophobicContact CB-CE1 4.12Å; P184-Y224 HydrophobicContact CB-CE2 3.9Å; P184-Y224 HydrophobicContact CB-CG 4.24Å; P184-Y224 HydrophobicContact CG-CD1 3.98Å; P184-Y224 HydrophobicContact CG-CD2 3.93Å; P184-Y224 HydrophobicContact CG-CE1 4.33Å; P184-Y224 HydrophobicContact CG-CE2 4.3Å; P184-Y224 HydrophobicContact CG-CG 3.76Å; V220-Y224 HydrophobicContact CG1-CD2 3.74Å; V220-Y224 HydrophobicContact CG1-CE2 4.12Å; V220-Y224 WeakPolarHBondContact O-CD2 3.39Å; V220-Y224 PolarHBondContact O-N 3.09Å; Y224-I226 VanDerWaalsContact C-N 3.29Å; Y224-I226 PolarHBondContact O-N 2.82Å |
| 225 | Q | 95.4 | Very high | 96.6 | Very high | 181 Ų | 181 | 51.3 Ų | 51.3 | 85% | 0.846 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 41.7 | 178.9 | -57.2 | 176.3 | 37.4 | 0 | 0 | 113.4 | S221 K222 | S221-Q225 WeakPolarHBondContact O-CA 3.45Å; S221-Q225 PolarHBondContact O-N 3.44Å; K222-Q225 PolarHBondContact O-N 2.83Å |
| 226 | I | 94.1 | Very high | 96.6 | Very high | 31 Ų | 31 | 46.6 Ų | 46.6 | 16% | 0.159 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -126.8 | 169 | 176.9 | 56 | 175 | 0 | 0 | 0 | 109.9 | P184 S221 Y224 Q230 V231 | P184-I226 HydrophobicContact CG-CD1 3.81Å; S221-I226 CarbonylContact C-O 3.56Å; S221-I226 WeakPolarHBondContact CA-O 3.39Å; S221-I226 WeakPolarHBondContact CB-O 3.3Å; S221-I226 PolarHBondContact O-N 3.09Å; S221-I226 VanDerWaalsContact O-N 3.08Å; S221-I226 VanDerWaalsContact O-O 3.04Å; Y224-I226 VanDerWaalsContact C-N 3.29Å; Y224-I226 PolarHBondContact O-N 2.82Å; I226-Q230 HydrophobicContact CB-CB 4.19Å; I226-Q230 HydrophobicContact CD1-CB 4.44Å; I226-V231 HydrophobicContact CD1-CG2 3.68Å; I226-V231 HydrophobicContact CG1-CG2 4.16Å |
| 227 | T | 93.8 | Very high | 96.6 | Very high | 70 Ų | 70 | 46.6 Ų | 46.6 | 43% | 0.429 | 22% | 0.22 | S | C | . | . | trans | -79.9 | 159.1 | 173.1 | 72.8 | 0 | 0 | 0 | 0 | 111.1 | Q229 Q230 | T227-Q229 PolarHBondContact O-N 3.43Å; T227-Q230 WeakPolarHBondContact O-CB 3.23Å; T227-Q230 PolarHBondContact O-N 3.02Å; T227-Q230 VanDerWaalsContact OG1-CG 3.28Å; T227-Q230 WeakPolarHBondContact OG1-CG 3.24Å; T227-Q230 PolarHBondContact OG1-N 2.92Å; T227-Q230 PolarHBondContact OG1-OE1 2.94Å | ||
| 228 | Q | 93.6 | Very high | 96.6 | Very high | 52 Ų | 52 | 46.5 Ų | 46.5 | 24% | 0.243 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -60.2 | -37.1 | 177.5 | -64.8 | 179.1 | 21.5 | 0 | 0 | 112.1 | L217 Q230 V231 | L217-Q228 HydrophobicContact CB-CB 4.26Å; L217-Q228 HydrophobicContact CB-CG 4.13Å; Q228-Q230 PolarHBondContact O-N 3.37Å; Q228-V231 PolarHBondContact O-N 3.45Å |
| 229 | Q | 91.4 | Very high | 96.7 | Very high | 92 Ų | 92 | 42.2 Ų | 42.2 | 43% | 0.43 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -67.2 | -21.3 | 178.6 | -65 | 74.1 | 18.9 | 0 | 0 | 112.1 | T227 | T227-Q229 PolarHBondContact O-N 3.43Š|
| 230 | Q | 94.3 | Very high | 96.7 | Very high | 43 Ų | 43 | 39.9 Ų | 39.9 | 20% | 0.201 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -81.4 | -19.1 | 178.2 | -74 | 174.4 | -50.8 | 0 | 0 | 114.1 | I226 T227 Q228 P232 T365 Q368 | I226-Q230 HydrophobicContact CB-CB 4.19Å; I226-Q230 HydrophobicContact CD1-CB 4.44Å; T227-Q230 WeakPolarHBondContact O-CB 3.23Å; T227-Q230 PolarHBondContact O-N 3.02Å; T227-Q230 VanDerWaalsContact OG1-CG 3.28Å; T227-Q230 WeakPolarHBondContact OG1-CG 3.24Å; T227-Q230 PolarHBondContact OG1-N 2.92Å; T227-Q230 PolarHBondContact OG1-OE1 2.94Å; Q228-Q230 PolarHBondContact O-N 3.37Å; Q230-P232 VanDerWaalsContact O-CD 3.28Å; Q230-P232 WeakPolarHBondContact O-CD 2.81Å; Q230-T365 HydrophobicContact CB-CG2 4.24Å; Q230-T365 PolarHBondContact NE2-O 2.84Å; Q230-Q368 VanDerWaalsContact CG-OE1 3.28Å; Q230-Q368 PolarHBondContact O-NE2 3.32Å; Q230-Q368 PolarHBondContact O-OE1 3.48Å |
| 231 | V | 96.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -75.2 | 119.8 | 177 | -175.8 | 0 | 0 | 0 | 0 | 108.8 | P184 V186 L217 V220 I226 Q228 | P184-V231 HydrophobicContact CG-CG1 4.26Å; P184-V231 HydrophobicContact CG-CG2 4.43Å; V186-V231 HydrophobicContact CB-CG1 4.46Å; V186-V231 HydrophobicContact CG2-CG1 3.7Å; L217-V231 HydrophobicContact CD2-CB 3.68Å; L217-V231 HydrophobicContact CD2-CG1 3.51Å; L217-V231 HydrophobicContact CD2-CG2 4.19Å; V220-V231 HydrophobicContact CG1-CG1 4.11Å; V220-V231 HydrophobicContact CG1-CG2 4Å; I226-V231 HydrophobicContact CD1-CG2 3.68Å; I226-V231 HydrophobicContact CG1-CG2 4.16Å; Q228-V231 PolarHBondContact O-N 3.45Å |
| 232 | P | 97.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | trans | -62.4 | 132 | 168.6 | -18.5 | 32.3 | 0 | 0 | 0 | 111.7 | P184 L185 V186 Q230 S321 L322 I362 | P184-P232 VanDerWaalsContact O-CD 3.23Å; P184-P232 WeakPolarHBondContact O-CD 3.44Å; L185-P232 HydrophobicContact CD1-CB 3.74Å; V186-P232 PolarHBondContact N-O 2.89Å; Q230-P232 VanDerWaalsContact O-CD 3.28Å; Q230-P232 WeakPolarHBondContact O-CD 2.81Å; P232-S321 WeakPolarHBondContact CA-OG 3.05Å; P232-L322 HydrophobicContact CB-CD1 4.19Å; P232-L322 HydrophobicContact CB-CD2 3.83Å; P232-L322 HydrophobicContact CB-CG 3.88Å; P232-I362 HydrophobicContact CG-CG2 4.42Å | ||
| 233 | V | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.006 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133.7 | 178.3 | -177.8 | 0 | 0 | 0 | 0 | 110.3 | V186 V213 L217 I235 A317 T318 | V186-V233 HydrophobicContact CB-CG2 4.29Å; V186-V233 HydrophobicContact CG1-CG1 4.48Å; V186-V233 CarbonylContact O-C 3.58Å; V186-V233 WeakPolarHBondContact O-CA 3.48Å; V213-V233 HydrophobicContact CG1-CG1 4Å; L217-V233 HydrophobicContact CD1-CG2 4.02Å; L217-V233 HydrophobicContact CD2-CG2 3.78Å; L217-V233 HydrophobicContact CG-CG2 4.36Å; V233-I235 HydrophobicContact CG1-CD1 4.39Å; V233-I235 HydrophobicContact CG1-CG1 3.87Å; V233-A317 WeakPolarHBondContact O-CA 3.45Å; V233-T318 HydrophobicContact CB-CG2 3.83Å; V233-T318 HydrophobicContact CG2-CG2 4.21Å; V233-T318 PolarHBondContact N-OG1 2.97Å; V233-T318 PolarHBondContact O-N 3.34Å; V233-T318 VanDerWaalsContact O-N 3.15Å; V233-T318 PolarHBondContact O-OG1 2.77Å |
| 234 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.6 | 163.5 | -72.1 | 171.4 | 0 | 0 | 0 | 109.5 | F14 V16 V186 V187 A188 I315 F316 A317 L322 Y360 | F14-L234 HydrophobicContact CE2-CD1 3.48Å; F14-L234 VanDerWaalsContact CE2-CD1 3.48Å; F14-L234 HydrophobicContact CZ-CD1 3.66Å; V16-L234 HydrophobicContact CB-CD1 4.17Å; V16-L234 HydrophobicContact CG1-CD1 4.24Å; V16-L234 HydrophobicContact CG1-CD2 4.42Å; V16-L234 HydrophobicContact CG2-CD1 4.25Å; V186-L234 PolarHBondContact O-N 2.95Å; V187-L234 HydrophobicContact CG1-CB 4.46Å; V187-L234 HydrophobicContact CG2-CD1 4.43Å; A188-L234 PolarHBondContact N-O 3.34Å; L234-I315 HydrophobicContact CD2-CG2 4.21Å; L234-F316 CarbonylContact C-O 3.51Å; L234-F316 WeakPolarHBondContact CA-O 3.43Å; L234-A317 HydrophobicContact CD2-CB 3.7Å; L234-L322 HydrophobicContact CD2-CD1 3.83Å; L234-L322 HydrophobicContact CG-CD1 3.84Å; L234-Y360 HydrophobicContact CD2-CD2 4.29Å; L234-Y360 HydrophobicContact CD2-CE2 3.87Å |
| 235 | I | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 109.9 | 170 | -51.4 | -174.8 | 0 | 0 | 0 | 107.4 | A188 L209 V213 V233 F239 L288 L290 F316 | A188-I235 HydrophobicContact CB-CG1 4.37Å; A188-I235 HydrophobicContact CB-CG2 4.46Å; A188-I235 WeakPolarHBondContact O-CA 3.47Å; L209-I235 HydrophobicContact CD2-CG2 3.73Å; L209-I235 HydrophobicContact CG-CG2 4.39Å; V213-I235 HydrophobicContact CG1-CD1 4.47Å; V213-I235 HydrophobicContact CG2-CD1 4.24Å; V233-I235 HydrophobicContact CG1-CD1 4.39Å; V233-I235 HydrophobicContact CG1-CG1 3.87Å; I235-F239 HydrophobicContact CG2-CZ 4Å; I235-L288 HydrophobicContact CD1-CD1 4.02Å; I235-L290 HydrophobicContact CD1-CD1 3.89Å; I235-L290 HydrophobicContact CD1-CD2 4.39Å; I235-F316 HydrophobicContact CB-CB 4.29Å; I235-F316 PolarHBondContact N-O 3.44Å; I235-F316 PolarHBondContact O-N 3.45Å |
| 236 | C | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 162.8 | -179.2 | -53.5 | 0 | 0 | 0 | 0 | 110.4 | C18 T62 A188 T189 A190 Y314 | C18-C236 HydrophobicContact CB-CB 3.97Å; T62-C236 HydrophobicContact CG2-CB 3.96Å; T62-C236 WeakPolarHBondContact OG1-CB 3.13Å; A188-C236 PolarHBondContact O-N 3.35Å; T189-C236 CarbonylContact C-O 3.56Å; T189-C236 WeakPolarHBondContact CA-O 3.44Å; T189-C236 PolarHBondContact OG1-O 2.64Å; A190-C236 PolarHBondContact N-O 2.8Å; A190-C236 VanDerWaalsContact N-O 3.1Å; C236-Y314 CarbonylContact C-O 3.28Å; C236-Y314 VanDerWaalsContact CA-O 3.25Å; C236-Y314 WeakPolarHBondContact CA-O 3.33Å |
| 237 | G | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 148.3 | -178.6 | 163.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | C18 A190 F239 D313 Y314 | C18-G237 VanDerWaalsContact SG-CA 3.54Å; C18-G237 PolarHBondContact SG-N 3.08Å; A190-G237 VanDerWaalsContact O-CA 3.28Å; A190-G237 WeakPolarHBondContact O-CA 3.33Å; G237-F239 WeakPolarHBondContact O-CD2 3.39Å; G237-D313 VanDerWaalsContact O-CA 3.31Å; G237-D313 WeakPolarHBondContact O-CA 3.41Å; G237-Y314 PolarHBondContact N-O 3.03Å; G237-Y314 PolarHBondContact O-N 3.2Å |
| 238 | D | 98.7 | Very high | 97 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 109.1 | 169.1 | -176.7 | -8.9 | 0 | 0 | 0 | 108.6 | N20 Q64 A190 H191 I192 N240 D313 H353 | N20-D238 PolarHBondContact ND2-OD2 2.79Å; Q64-D238 HydrophobicContact CG-CB 4.29Å; A190-D238 PolarHBondContact O-N 3.4Å; H191-D238 WeakPolarHBondContact CA-O 3.43Å; H191-D238 IonicContact CD2-OD2 3.8Å; H191-D238 IonicContact NE2-OD2 3.51Å; I192-D238 PolarHBondContact N-O 3.45Å; D238-N240 VanDerWaalsContact OD1-CG 3.3Å; D238-N240 PolarHBondContact OD1-N 3.29Å; D238-N240 PolarHBondContact OD1-ND2 3.24Å; D238-D313 WeakPolarHBondContact CB-OD1 3.43Å; D238-H353 IonicContact OD2-CE1 3.72Å; D238-H353 PolarHBondContact OD2-CE1 3.12Å; D238-H353 IonicContact OD2-NE2 3.83Å |
| 239 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -93.9 | -6.2 | -179.9 | -74.5 | -97.1 | 0 | 0 | 0 | 112.6 | I192 L209 I235 G237 S241 V247 L251 I312 Y314 F316 | I192-F239 HydrophobicContact CG1-CB 4.47Å; I192-F239 HydrophobicContact CG1-CD1 3.81Å; I192-F239 HydrophobicContact CG1-CE1 4.35Å; I192-F239 HydrophobicContact CG1-CG 4.3Å; L209-F239 HydrophobicContact CD2-CE1 3.99Å; L209-F239 HydrophobicContact CD2-CZ 4.12Å; I235-F239 HydrophobicContact CG2-CZ 4Å; G237-F239 WeakPolarHBondContact O-CD2 3.39Å; F239-S241 WeakPolarHBondContact O-CB 3.35Å; F239-S241 PolarHBondContact O-N 3.44Å; F239-S241 PolarHBondContact O-OG 3.48Å; F239-V247 HydrophobicContact CB-CG1 4.29Å; F239-V247 HydrophobicContact CD1-CG1 3.85Å; F239-V247 HydrophobicContact CG-CG1 4.45Å; F239-L251 HydrophobicContact CD1-CD1 3.81Å; F239-L251 HydrophobicContact CE1-CD1 3.44Å; F239-L251 VanDerWaalsContact CE1-CD1 3.44Å; F239-L251 HydrophobicContact CZ-CD1 4.03Å; F239-I312 PolarHBondContact N-O 2.99Å; F239-Y314 HydrophobicContact CB-CD2 3.96Å; F239-Y314 HydrophobicContact CB-CE2 4.12Å; F239-Y314 AromaticContact CD2-CD2 3.71Å; F239-Y314 HydrophobicContact CD2-CD2 3.71Å; F239-Y314 HydrophobicContact CD2-CG 4.45Å; F239-Y314 HydrophobicContact CG-CD2 4.07Å; F239-F316 HydrophobicContact CE2-CD2 4.43Å; F239-F316 HydrophobicContact CE2-CE2 4.47Å; F239-F316 HydrophobicContact CZ-CD2 4.43Å | ||
| 240 | N | 98.4 | Very high | 97.5 | Very high | 25 Ų | 25 | 18.5 Ų | 18.5 | 13% | 0.134 | 10% | 0.098 | C | C | . | . | trans | 48.4 | 32.5 | -176.7 | -80.6 | -68.5 | 0 | 0 | 0 | 113.2 | I192 H193 K202 D238 | I192-N240 PolarHBondContact O-ND2 2.88Å; H193-N240 VanDerWaalsContact O-CB 3.31Å; H193-N240 WeakPolarHBondContact O-CB 3.34Å; K202-N240 HydrophobicContact CD-CB 4.4Å; K202-N240 WeakPolarHBondContact CD-O 3.37Å; K202-N240 WeakPolarHBondContact CE-O 3.25Å; K202-N240 PolarHBondContact NZ-O 3.5Å; D238-N240 VanDerWaalsContact OD1-CG 3.3Å; D238-N240 PolarHBondContact OD1-N 3.29Å; D238-N240 PolarHBondContact OD1-ND2 3.24Å | ||
| 241 | S | 97.9 | Very high | 97.7 | Very high | 9 Ų | 9 | 16.5 Ų | 16.5 | 6% | 0.063 | 9% | 0.088 | C | C | . | . | trans | -141.2 | 128.2 | -169.4 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | F239 S245 V247 Y314 | F239-S241 WeakPolarHBondContact O-CB 3.35Å; F239-S241 PolarHBondContact O-N 3.44Å; F239-S241 PolarHBondContact O-OG 3.48Å; S241-S245 WeakPolarHBondContact CB-OG 3.48Å; S241-V247 WeakPolarHBondContact OG-CG2 3.46Å; S241-Y314 WeakPolarHBondContact O-CE2 3.39Å; S241-Y314 PolarHBondContact O-OH 3Å | ||
| 242 | L | 97.1 | Very high | 97.6 | Very high | 50 Ų | 50 | 18.3 Ų | 18.3 | 26% | 0.262 | 10% | 0.101 | S | C | . | . | trans | -72 | 162.9 | -179.6 | -69.6 | 172.3 | 0 | 0 | 0 | 112.6 | D244 S245 F308 I312 Y314 | L242-D244 VanDerWaalsContact CB-OD1 3.25Å; L242-D244 WeakPolarHBondContact CB-OD1 3.4Å; L242-D244 PolarHBondContact O-N 3.48Å; L242-D244 VanDerWaalsContact O-N 3.14Å; L242-S245 WeakPolarHBondContact O-CB 3.08Å; L242-S245 PolarHBondContact O-N 3.06Å; L242-S245 PolarHBondContact O-OG 2.71Å; L242-F308 HydrophobicContact CD2-CE2 4.28Å; L242-F308 HydrophobicContact CD2-CZ 3.89Å; L242-F308 HydrophobicContact CG-CZ 4.47Å; L242-I312 HydrophobicContact CD2-CG2 4.3Å; L242-Y314 VanDerWaalsContact C-OH 3.24Å | ||
| 243 | P | 95.8 | Very high | 97.5 | Very high | 30 Ų | 30 | 24.4 Ų | 24.4 | 20% | 0.195 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -18.4 | -179 | -26.3 | 36.7 | 0 | 0 | 0 | 115.3 | F248 I296 M311 Y314 | P243-F248 WeakPolarHBondContact O-CD1 3.48Å; P243-I296 HydrophobicContact CG-CD1 4.35Å; P243-M311 HydrophobicContact CG-CB 4.07Å; P243-M311 HydrophobicContact CG-CG 4.33Å; P243-M311 HydrophobicContact CG-SD 4.02Å; P243-Y314 WeakPolarHBondContact CD-OH 3.33Å; P243-Y314 HydrophobicContact CG-CE1 4.49Å |
| 244 | D | 94.2 | Very high | 97.4 | Very high | 113 Ų | 113 | 24.9 Ų | 24.9 | 60% | 0.604 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.5 | 4.1 | 175.3 | 64.9 | -21.5 | 0 | 0 | 0 | 113.7 | L242 | L242-D244 VanDerWaalsContact CB-OD1 3.25Å; L242-D244 WeakPolarHBondContact CB-OD1 3.4Å; L242-D244 PolarHBondContact O-N 3.48Å; L242-D244 VanDerWaalsContact O-N 3.14Å |
| 245 | S | 97.1 | Very high | 97.3 | Very high | 17 Ų | 17 | 29.8 Ų | 29.8 | 12% | 0.119 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -77.5 | 160.4 | 177.9 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | S241 L242 V247 F248 E249 | S241-S245 WeakPolarHBondContact CB-OG 3.48Å; L242-S245 WeakPolarHBondContact O-CB 3.08Å; L242-S245 PolarHBondContact O-N 3.06Å; L242-S245 PolarHBondContact O-OG 2.71Å; S245-V247 PolarHBondContact O-N 3.08Å; S245-F248 PolarHBondContact O-N 2.93Å; S245-F248 PolarHBondContact OG-N 2.92Å; S245-E249 PolarHBondContact O-N 3.39Å |
| 246 | G | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.2 | -27.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L203 Y250 I256 H260 D262 | L203-G246 WeakPolarHBondContact CD1-O 3.37Å; G246-Y250 WeakPolarHBondContact O-CB 3.43Å; G246-Y250 PolarHBondContact O-N 3.42Å; G246-I256 WeakPolarHBondContact O-CD1 3.31Å; G246-H260 WeakPolarHBondContact CA-CE1 3.38Å; G246-D262 WeakPolarHBondContact CA-OD2 2.82Å; G246-D262 PolarHBondContact N-OD2 2.68Å |
| 247 | V | 98.1 | Very high | 97.1 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.3 | -52.5 | 173.8 | 168.5 | 0 | 0 | 0 | 0 | 110.2 | K202 L203 S206 F239 S241 S245 Y250 L251 | K202-V247 HydrophobicContact CB-CG2 3.91Å; L203-V247 HydrophobicContact CB-CG2 4.07Å; L203-V247 HydrophobicContact CD1-CG2 4.41Å; S206-V247 WeakPolarHBondContact OG-CG1 3.19Å; F239-V247 HydrophobicContact CB-CG1 4.29Å; F239-V247 HydrophobicContact CD1-CG1 3.85Å; F239-V247 HydrophobicContact CG-CG1 4.45Å; S241-V247 WeakPolarHBondContact OG-CG2 3.46Å; S245-V247 PolarHBondContact O-N 3.08Å; V247-Y250 PolarHBondContact O-N 3.02Å; V247-L251 HydrophobicContact CG1-CD1 3.89Å; V247-L251 VanDerWaalsContact O-CG 3.31Å; V247-L251 WeakPolarHBondContact O-CG 3.27Å; V247-L251 PolarHBondContact O-N 2.94Å |
| 248 | F | 97.1 | Very high | 96.9 | Very high | 39 Ų | 39 | 33.6 Ų | 33.6 | 17% | 0.171 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.6 | -43 | -180 | -171.1 | -88.5 | 0 | 0 | 0 | 111.2 | P243 S245 Y250 L251 S252 Y314 F316 | P243-F248 WeakPolarHBondContact O-CD1 3.48Å; S245-F248 PolarHBondContact O-N 2.93Å; S245-F248 PolarHBondContact OG-N 2.92Å; F248-Y250 PolarHBondContact O-N 2.99Å; F248-L251 PolarHBondContact O-N 2.9Å; F248-S252 VanDerWaalsContact O-CB 3.27Å; F248-S252 WeakPolarHBondContact O-CB 3.14Å; F248-S252 PolarHBondContact O-N 3.45Å; F248-S252 PolarHBondContact O-OG 2.91Å; F248-Y314 AromaticContact CD2-CD1 3.86Å; F248-Y314 HydrophobicContact CD2-CD1 3.86Å; F248-Y314 AromaticContact CD2-CE1 3.36Å; F248-Y314 HydrophobicContact CD2-CE1 3.36Å; F248-Y314 HydrophobicContact CD2-CE2 4.46Å; F248-Y314 AromaticContact CD2-CZ 3.72Å; F248-Y314 AromaticContact CE2-CD1 3.67Å; F248-Y314 HydrophobicContact CE2-CD1 3.67Å; F248-Y314 AromaticContact CE2-CE1 3.4Å; F248-Y314 HydrophobicContact CE2-CE1 3.4Å; F248-Y314 VanDerWaalsContact CE2-CE1 3.4Å; F248-F316 AromaticContact CD2-CZ 3.8Å; F248-F316 HydrophobicContact CD2-CZ 3.8Å; F248-F316 HydrophobicContact CE2-CE1 4.2Å; F248-F316 AromaticContact CE2-CZ 3.81Å; F248-F316 HydrophobicContact CE2-CZ 3.81Å |
| 249 | E | 97.3 | Very high | 96.7 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 25% | 0.248 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.7 | -50.6 | 175.2 | 175.5 | 167.9 | -161.7 | 0 | 0 | 111.7 | S245 S252 K253 I256 H260 | S245-E249 PolarHBondContact O-N 3.39Å; E249-S252 PolarHBondContact O-OG 3.35Å; E249-K253 HydrophobicContact CG-CD 3.8Å; E249-K253 HydrophobicContact CG-CG 4.31Å; E249-K253 VanDerWaalsContact O-CB 3.28Å; E249-K253 WeakPolarHBondContact O-CB 3.44Å; E249-K253 WeakPolarHBondContact O-CG 3.31Å; E249-K253 PolarHBondContact O-N 2.93Å; E249-K253 IonicContact OE1-NZ 3.4Å; E249-K253 PolarHBondContact OE1-NZ 3.23Å; E249-I256 HydrophobicContact CG-CG1 4.48Å; E249-H260 IonicContact OE2-CD2 3.7Å; E249-H260 PolarHBondContact OE2-CD2 3Å; E249-H260 IonicContact OE2-NE2 2.72Å; E249-H260 PolarHBondContact OE2-NE2 2.94Å |
| 250 | Y | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.5 | -52.2 | -179.2 | 171.5 | -106.8 | 0 | 0 | 0 | 111.3 | L203 M207 T210 G246 V247 F248 G254 Q255 I256 I284 H286 | L203-Y250 HydrophobicContact CD1-CD1 4.47Å; L203-Y250 HydrophobicContact CD1-CG 4.23Å; M207-Y250 HydrophobicContact CB-CE1 4.33Å; M207-Y250 HydrophobicContact CE-CD2 4.34Å; M207-Y250 HydrophobicContact CE-CE2 4.38Å; M207-Y250 HydrophobicContact CG-CD1 4.34Å; M207-Y250 HydrophobicContact CG-CE1 3.8Å; M207-Y250 HydrophobicContact CG-CE2 4.09Å; T210-Y250 HydrophobicContact CG2-CE1 3.94Å; T210-Y250 PolarHBondContact OG1-OH 3.02Å; G246-Y250 WeakPolarHBondContact O-CB 3.43Å; G246-Y250 PolarHBondContact O-N 3.42Å; V247-Y250 PolarHBondContact O-N 3.02Å; F248-Y250 PolarHBondContact O-N 2.99Å; Y250-G254 CarbonylContact O-C 3.55Å; Y250-G254 WeakPolarHBondContact O-CA 3.22Å; Y250-G254 PolarHBondContact O-N 3.17Å; Y250-Q255 PolarHBondContact O-N 3.46Å; Y250-I256 HydrophobicContact CD2-CB 4.15Å; Y250-I256 HydrophobicContact CD2-CG2 3.78Å; Y250-I256 HydrophobicContact CG-CG2 4.43Å; Y250-I284 HydrophobicContact CE2-CG2 4.07Å; Y250-H286 AromaticContact CE1-CD2 3.54Å; Y250-H286 AromaticContact CE2-CD2 3.63Å; Y250-H286 AromaticContact CZ-CD2 3.33Å; Y250-H286 PolarHBondContact O-NE2 3.27Å |
| 251 | L | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.3 | -45.2 | -177.5 | -68.5 | 171.3 | 0 | 0 | 0 | 112.2 | T210 F239 V247 F248 H286 L290 F316 | T210-L251 HydrophobicContact CG2-CD2 3.5Å; F239-L251 HydrophobicContact CD1-CD1 3.81Å; F239-L251 HydrophobicContact CE1-CD1 3.44Å; F239-L251 VanDerWaalsContact CE1-CD1 3.44Å; F239-L251 HydrophobicContact CZ-CD1 4.03Å; V247-L251 HydrophobicContact CG1-CD1 3.89Å; V247-L251 VanDerWaalsContact O-CG 3.31Å; V247-L251 WeakPolarHBondContact O-CG 3.27Å; V247-L251 PolarHBondContact O-N 2.94Å; F248-L251 PolarHBondContact O-N 2.9Å; L251-H286 WeakPolarHBondContact CA-NE2 3.46Å; L251-H286 PolarHBondContact O-CE1 3.03Å; L251-H286 PolarHBondContact O-NE2 3.1Å; L251-L290 HydrophobicContact CD2-CD1 4.2Å; L251-L290 WeakPolarHBondContact O-CB 3.43Å; L251-F316 HydrophobicContact CB-CE1 4.03Å; L251-F316 HydrophobicContact CB-CE2 4.19Å; L251-F316 HydrophobicContact CB-CZ 3.86Å; L251-F316 HydrophobicContact CD1-CD2 4.21Å; L251-F316 HydrophobicContact CD1-CE2 3.65Å; L251-F316 HydrophobicContact CD1-CZ 4.07Å |
| 252 | S | 95.7 | Very high | 96.5 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -76.3 | -42 | -175.6 | 60.9 | 0 | 0 | 0 | 0 | 113.4 | F248 E249 G254 | F248-S252 VanDerWaalsContact O-CB 3.27Å; F248-S252 WeakPolarHBondContact O-CB 3.14Å; F248-S252 PolarHBondContact O-N 3.45Å; F248-S252 PolarHBondContact O-OG 2.91Å; E249-S252 PolarHBondContact O-OG 3.35Å; S252-G254 VanDerWaalsContact C-N 3.35Å |
| 253 | K | 95.8 | Very high | 96.4 | Very high | 132 Ų | 132 | 47 Ų | 47 | 57% | 0.574 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -84.1 | -12.3 | -179.4 | -60.4 | -171.8 | -168.2 | 165.7 | 0 | 112.9 | E249 Q255 | E249-K253 HydrophobicContact CG-CD 3.8Å; E249-K253 HydrophobicContact CG-CG 4.31Å; E249-K253 VanDerWaalsContact O-CB 3.28Å; E249-K253 WeakPolarHBondContact O-CB 3.44Å; E249-K253 WeakPolarHBondContact O-CG 3.31Å; E249-K253 PolarHBondContact O-N 2.93Å; E249-K253 IonicContact OE1-NZ 3.4Å; E249-K253 PolarHBondContact OE1-NZ 3.23Å; K253-Q255 PolarHBondContact O-N 3.2Å |
| 254 | G | 96.3 | Very high | 96.4 | Very high | 12 Ų | 12 | 49.2 Ų | 49.2 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 75.5 | 1.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y250 S252 S285 H286 | Y250-G254 CarbonylContact O-C 3.55Å; Y250-G254 WeakPolarHBondContact O-CA 3.22Å; Y250-G254 PolarHBondContact O-N 3.17Å; S252-G254 VanDerWaalsContact C-N 3.35Å; G254-S285 CarbonylContact O-C 3.5Å; G254-S285 WeakPolarHBondContact O-CA 3.31Å; G254-S285 VanDerWaalsContact O-CB 3.3Å; G254-S285 WeakPolarHBondContact O-CB 3.48Å; G254-H286 WeakPolarHBondContact CA-NE2 3.5Å; G254-H286 PolarHBondContact O-N 3.14Å |
| 255 | Q | 96.6 | Very high | 96.4 | Very high | 103 Ų | 103 | 46.4 Ų | 46.4 | 48% | 0.481 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 156.3 | -175.6 | 66.5 | 179.2 | 16.1 | 0 | 0 | 112.5 | Y250 K253 V283 I284 | Y250-Q255 PolarHBondContact O-N 3.46Å; K253-Q255 PolarHBondContact O-N 3.2Å; Q255-V283 HydrophobicContact CB-CG1 3.75Å; Q255-V283 HydrophobicContact CG-CG1 4.42Å; Q255-I284 CarbonylContact C-O 3.5Å; Q255-I284 VanDerWaalsContact CA-O 3.23Å; Q255-I284 WeakPolarHBondContact CA-O 3.48Å |
| 256 | I | 96.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.015 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 149.1 | 172.3 | -159.9 | 175 | 0 | 0 | 0 | 110.2 | L203 M207 G246 E249 Y250 H260 V283 I284 | L203-I256 HydrophobicContact CD1-CD1 4.32Å; L203-I256 HydrophobicContact CD2-CD1 3.84Å; M207-I256 HydrophobicContact CE-CG2 3.76Å; G246-I256 WeakPolarHBondContact O-CD1 3.31Å; E249-I256 HydrophobicContact CG-CG1 4.48Å; Y250-I256 HydrophobicContact CD2-CB 4.15Å; Y250-I256 HydrophobicContact CD2-CG2 3.78Å; Y250-I256 HydrophobicContact CG-CG2 4.43Å; I256-H260 HydrophobicContact CD1-CB 3.72Å; I256-H260 HydrophobicContact CG1-CB 3.84Å; I256-V283 WeakPolarHBondContact O-CA 3.3Å; I256-I284 HydrophobicContact CG2-CB 4.17Å; I256-I284 PolarHBondContact N-O 3.1Å; I256-I284 PolarHBondContact O-N 2.78Å |
| 257 | T | 96.1 | Very high | 96.1 | Very high | 50 Ų | 50 | 49 Ų | 49 | 31% | 0.307 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 142.5 | 174.7 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | R259 H260 N282 | T257-R259 HydrophobicContact CG2-CB 4.48Å; T257-R259 PolarHBondContact O-N 3.26Å; T257-R259 VanDerWaalsContact O-N 3.11Å; T257-R259 PolarHBondContact OG1-N 2.7Å; T257-H260 HydrophobicContact CG2-CB 4.2Å; T257-H260 VanDerWaalsContact O-CB 3.22Å; T257-H260 WeakPolarHBondContact O-CB 3.43Å; T257-H260 PolarHBondContact O-N 3.21Å; T257-N282 PolarHBondContact OG1-O 2.99Å |
| 258 | R | 94.2 | Very high | 95.7 | Very high | 27 Ų | 27 | 56.3 Ų | 56.3 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -20.3 | 170.3 | -77.9 | -161.9 | 178.2 | -106.9 | -7.6 | 114 | H260 R267 D269 K281 N282 I284 | R258-H260 PolarHBondContact O-N 2.83Å; R258-R267 VanDerWaalsContact O-CB 3.27Å; R258-R267 WeakPolarHBondContact O-CB 3.3Å; R258-R267 WeakPolarHBondContact O-CG 3.36Å; R258-D269 PolarHBondContact NH1-O 3.32Å; R258-K281 WeakPolarHBondContact CD-O 3.48Å; R258-K281 PolarHBondContact NE-O 3.19Å; R258-N282 PolarHBondContact N-O 3.24Å; R258-I284 HydrophobicContact CG-CD1 4.03Å; R258-I284 HydrophobicContact CG-CG1 4.06Å |
| 259 | R | 94.4 | Very high | 95.5 | Very high | 183 Ų | 183 | 55.5 Ų | 55.5 | 69% | 0.691 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 2.6 | 177 | -66 | -172.1 | -69.4 | -114.8 | 0.5 | 113.3 | T257 | T257-R259 HydrophobicContact CG2-CB 4.48Å; T257-R259 PolarHBondContact O-N 3.26Å; T257-R259 VanDerWaalsContact O-N 3.11Å; T257-R259 PolarHBondContact OG1-N 2.7Å |
| 260 | H | 96.8 | Very high | 95.2 | Very high | 29 Ų | 29 | 56.7 Ų | 56.7 | 13% | 0.134 | 28% | 0.283 | C | S | . | . | trans | -61 | 140.7 | -175.9 | -169 | -82.2 | 0 | 0 | 0 | 111.5 | G246 E249 I256 T257 R258 D262 L263 R267 | G246-H260 WeakPolarHBondContact CA-CE1 3.38Å; E249-H260 IonicContact OE2-CD2 3.7Å; E249-H260 PolarHBondContact OE2-CD2 3Å; E249-H260 IonicContact OE2-NE2 2.72Å; E249-H260 PolarHBondContact OE2-NE2 2.94Å; I256-H260 HydrophobicContact CD1-CB 3.72Å; I256-H260 HydrophobicContact CG1-CB 3.84Å; T257-H260 HydrophobicContact CG2-CB 4.2Å; T257-H260 VanDerWaalsContact O-CB 3.22Å; T257-H260 WeakPolarHBondContact O-CB 3.43Å; T257-H260 PolarHBondContact O-N 3.21Å; R258-H260 PolarHBondContact O-N 2.83Å; H260-D262 VanDerWaalsContact C-N 3.33Å; H260-D262 IonicContact CE1-OD1 3.45Å; H260-D262 PolarHBondContact CE1-OD1 2.67Å; H260-D262 IonicContact CE1-OD2 3.46Å; H260-D262 WeakPolarHBondContact ND1-CB 3.31Å; H260-D262 PolarHBondContact ND1-N 2.95Å; H260-D262 VanDerWaalsContact ND1-N 3.14Å; H260-D262 IonicContact ND1-OD1 2.74Å; H260-D262 PolarHBondContact O-N 3.26Å; H260-L263 HydrophobicContact CB-CD1 4.33Å; H260-L263 PolarHBondContact O-N 3.35Å; H260-R267 PolarHBondContact O-NE 2.59Å | ||
| 261 | M | 96.6 | Very high | 94.9 | Very high | 129 Ų | 129 | 56.8 Ų | 56.8 | 64% | 0.635 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -63.6 | -41.6 | -169.7 | -71.1 | -59.9 | -67.4 | 0 | 0 | 112.4 | L263 K264 R267 | M261-L263 PolarHBondContact O-N 3.48Å; M261-L263 VanDerWaalsContact O-N 3.11Å; M261-K264 PolarHBondContact O-N 2.7Å; M261-R267 PolarHBondContact O-NH2 3.45Å; M261-R267 PolarHBondContact SD-NH2 2.97Å |
| 262 | D | 96.8 | Very high | 94.7 | Very high | 26 Ų | 26 | 56.8 Ų | 56.8 | 14% | 0.139 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -62.3 | -19.2 | -179.8 | -61.3 | 13.9 | 0 | 0 | 0 | 114 | C199 D200 L203 G246 H260 K264 | C199-D262 HydrophobicContact CB-CB 4.07Å; D200-D262 WeakPolarHBondContact CA-O 3.29Å; D200-D262 WeakPolarHBondContact CB-O 3.47Å; D200-D262 PolarHBondContact N-O 2.88Å; D200-D262 VanDerWaalsContact N-O 3.12Å; L203-D262 HydrophobicContact CD2-CB 4.2Å; G246-D262 WeakPolarHBondContact CA-OD2 2.82Å; G246-D262 PolarHBondContact N-OD2 2.68Å; H260-D262 VanDerWaalsContact C-N 3.33Å; H260-D262 IonicContact CE1-OD1 3.45Å; H260-D262 PolarHBondContact CE1-OD1 2.67Å; H260-D262 IonicContact CE1-OD2 3.46Å; H260-D262 WeakPolarHBondContact ND1-CB 3.31Å; H260-D262 PolarHBondContact ND1-N 2.95Å; H260-D262 VanDerWaalsContact ND1-N 3.14Å; H260-D262 IonicContact ND1-OD1 2.74Å; H260-D262 PolarHBondContact O-N 3.26Å; D262-K264 PolarHBondContact O-N 2.87Å |
| 263 | L | 96.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -70.5 | -14.6 | 175.5 | -74.4 | 172.3 | 0 | 0 | 0 | 113 | L203 M207 H260 M261 S265 F266 R267 L272 I284 | L203-L263 HydrophobicContact CD2-CD2 3.51Å; L203-L263 HydrophobicContact CD2-CG 3.7Å; L203-L263 HydrophobicContact CG-CD2 4.05Å; M207-L263 HydrophobicContact CE-CD2 4.06Å; H260-L263 HydrophobicContact CB-CD1 4.33Å; H260-L263 PolarHBondContact O-N 3.35Å; M261-L263 PolarHBondContact O-N 3.48Å; M261-L263 VanDerWaalsContact O-N 3.11Å; L263-S265 PolarHBondContact O-N 3.48Å; L263-S265 VanDerWaalsContact O-N 3.13Å; L263-F266 HydrophobicContact CB-CB 4.47Å; L263-F266 HydrophobicContact CD2-CB 4.4Å; L263-F266 WeakPolarHBondContact O-CA 3.48Å; L263-F266 VanDerWaalsContact O-CB 3.25Å; L263-F266 WeakPolarHBondContact O-CB 3.5Å; L263-F266 PolarHBondContact O-N 2.82Å; L263-R267 HydrophobicContact CB-CG 3.63Å; L263-L272 HydrophobicContact CD1-CD1 4.45Å; L263-L272 HydrophobicContact CD2-CD1 3.76Å; L263-I284 HydrophobicContact CD1-CD1 4.19Å |
| 264 | K | 95.7 | Very high | 94.2 | Very high | 76 Ų | 76 | 57.5 Ų | 57.5 | 33% | 0.33 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | 43.7 | -118.1 | -179.5 | -63.3 | -173.2 | 173.3 | 179 | 0 | 112.5 | E197 C199 D200 M261 D262 F266 R267 | E197-K264 PolarHBondContact O-NZ 2.95Å; C199-K264 WeakPolarHBondContact SG-CE 3.35Å; D200-K264 HydrophobicContact CB-CB 4.13Å; D200-K264 HydrophobicContact CB-CD 4.32Å; D200-K264 HydrophobicContact CB-CG 4.22Å; M261-K264 PolarHBondContact O-N 2.7Å; D262-K264 PolarHBondContact O-N 2.87Å; K264-F266 VanDerWaalsContact C-N 3.28Å; K264-F266 PolarHBondContact O-N 3.42Å; K264-R267 VanDerWaalsContact O-CG 3.28Å; K264-R267 WeakPolarHBondContact O-CG 3.46Å |
| 265 | S | 93.7 | Very high | 93.9 | Very high | 54 Ų | 54 | 57 Ų | 57 | 38% | 0.378 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -75.7 | -11.5 | -179.9 | 53.8 | 0 | 0 | 0 | 0 | 114 | N140 L263 R267 | N140-S265 PolarHBondContact ND2-O 3.49Å; N140-S265 WeakPolarHBondContact OD1-CB 3.16Å; N140-S265 PolarHBondContact OD1-OG 2.73Å; L263-S265 PolarHBondContact O-N 3.48Å; L263-S265 VanDerWaalsContact O-N 3.13Å; S265-R267 VanDerWaalsContact C-N 3.28Å; S265-R267 PolarHBondContact O-N 3.06Å |
| 266 | F | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -77.2 | -9.6 | 176.2 | -70.2 | -82.2 | 0 | 0 | 0 | 114.3 | N140 M141 V145 D200 V204 L263 K264 D268 D269 L272 | N140-F266 HydrophobicContact CB-CD1 3.75Å; N140-F266 HydrophobicContact CB-CD2 4.37Å; N140-F266 HydrophobicContact CB-CE1 3.19Å; N140-F266 HydrophobicContact CB-CE2 3.95Å; N140-F266 HydrophobicContact CB-CG 4.3Å; N140-F266 HydrophobicContact CB-CZ 3.34Å; M141-F266 HydrophobicContact CE-CD1 4.08Å; M141-F266 HydrophobicContact CE-CE1 3.08Å; M141-F266 HydrophobicContact CE-CE2 4.38Å; M141-F266 HydrophobicContact CE-CZ 3.25Å; M141-F266 HydrophobicContact CG-CE1 4.06Å; M141-F266 HydrophobicContact SD-CE1 4.42Å; V145-F266 HydrophobicContact CG2-CE2 4.43Å; V145-F266 HydrophobicContact CG2-CZ 3.93Å; D200-F266 HydrophobicContact CB-CD2 3.92Å; D200-F266 HydrophobicContact CB-CE2 4.19Å; D200-F266 WeakPolarHBondContact OD2-CE2 3.5Å; V204-F266 HydrophobicContact CG2-CD1 4.39Å; V204-F266 HydrophobicContact CG2-CD2 4.26Å; V204-F266 HydrophobicContact CG2-CE2 4.37Å; V204-F266 HydrophobicContact CG2-CG 4.24Å; L263-F266 HydrophobicContact CB-CB 4.47Å; L263-F266 HydrophobicContact CD2-CB 4.4Å; L263-F266 WeakPolarHBondContact O-CA 3.48Å; L263-F266 VanDerWaalsContact O-CB 3.25Å; L263-F266 WeakPolarHBondContact O-CB 3.5Å; L263-F266 PolarHBondContact O-N 2.82Å; K264-F266 VanDerWaalsContact C-N 3.28Å; K264-F266 PolarHBondContact O-N 3.42Å; F266-D268 PolarHBondContact O-N 3.32Å; F266-D269 HydrophobicContact CB-CB 4.47Å; F266-D269 HydrophobicContact CD1-CB 4.18Å; F266-D269 PolarHBondContact O-N 2.98Å; F266-D269 VanDerWaalsContact O-N 3.08Å; F266-L272 HydrophobicContact CB-CD1 3.89Å; F266-L272 HydrophobicContact CB-CG 4.42Å; F266-L272 HydrophobicContact CD1-CD2 4.23Å |
| 267 | R | 94.2 | Very high | 93.1 | Very high | 71 Ų | 71 | 57.9 Ų | 57.9 | 27% | 0.268 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -56.4 | -40 | 179.2 | -63.2 | -177.3 | -164.8 | 155.3 | 20.2 | 112 | R258 H260 M261 L263 K264 S265 | R258-R267 VanDerWaalsContact O-CB 3.27Å; R258-R267 WeakPolarHBondContact O-CB 3.3Å; R258-R267 WeakPolarHBondContact O-CG 3.36Å; H260-R267 PolarHBondContact O-NE 2.59Å; M261-R267 PolarHBondContact O-NH2 3.45Å; M261-R267 PolarHBondContact SD-NH2 2.97Å; L263-R267 HydrophobicContact CB-CG 3.63Å; K264-R267 VanDerWaalsContact O-CG 3.28Å; K264-R267 WeakPolarHBondContact O-CG 3.46Å; S265-R267 VanDerWaalsContact C-N 3.28Å; S265-R267 PolarHBondContact O-N 3.06Å |
| 268 | D | 89.8 | Confident | 92.6 | Very high | 157 Ų | 157 | 57.2 Ų | 57.2 | 84% | 0.84 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -95.2 | 1.2 | -178.6 | -55.6 | -47.8 | 0 | 0 | 0 | 112.6 | F266 | F266-D268 PolarHBondContact O-N 3.32Š|
| 269 | D | 91.3 | Very high | 92.1 | Very high | 21 Ų | 21 | 63 Ų | 63 | 11% | 0.112 | 32% | 0.323 | C | S | . | . | trans | -88.8 | 119.2 | -176.2 | -160 | -40.2 | 0 | 0 | 0 | 111 | S138 N140 R258 F266 C271 | S138-D269 WeakPolarHBondContact CB-OD2 3.39Å; S138-D269 PolarHBondContact OG-OD2 3.2Å; N140-D269 PolarHBondContact ND2-OD2 3.03Å; R258-D269 PolarHBondContact NH1-O 3.32Å; F266-D269 HydrophobicContact CB-CB 4.47Å; F266-D269 HydrophobicContact CD1-CB 4.18Å; F266-D269 PolarHBondContact O-N 2.98Å; F266-D269 VanDerWaalsContact O-N 3.08Å; D269-C271 PolarHBondContact O-N 2.91Å; D269-C271 VanDerWaalsContact OD1-CB 3.24Å; D269-C271 WeakPolarHBondContact OD1-CB 3.4Å; D269-C271 PolarHBondContact OD1-N 3.39Å; D269-C271 PolarHBondContact OD1-SG 3.32Å | ||
| 270 | S | 91.6 | Very high | 91.9 | Very high | 78 Ų | 78 | 57.8 Ų | 57.8 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -68.5 | -14.3 | 179 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | L272 E273 | S270-L272 PolarHBondContact O-N 3.42Å; S270-L272 VanDerWaalsContact O-N 3.12Å; S270-E273 VanDerWaalsContact O-CB 3.26Å; S270-E273 WeakPolarHBondContact O-CB 3.22Å; S270-E273 WeakPolarHBondContact O-CG 3.23Å; S270-E273 PolarHBondContact O-N 2.97Å |
| 271 | C | 92.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.014 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -59.5 | -28.1 | 179.4 | 74.1 | 0 | 0 | 0 | 0 | 113.6 | A135 M141 D269 E273 K274 | A135-C271 HydrophobicContact CB-CB 3.72Å; M141-C271 HydrophobicContact CG-CB 4.5Å; D269-C271 PolarHBondContact O-N 2.91Å; D269-C271 VanDerWaalsContact OD1-CB 3.24Å; D269-C271 WeakPolarHBondContact OD1-CB 3.4Å; D269-C271 PolarHBondContact OD1-N 3.39Å; D269-C271 PolarHBondContact OD1-SG 3.32Å; C271-E273 PolarHBondContact O-N 3.19Å; C271-K274 WeakPolarHBondContact O-CB 3.43Å; C271-K274 WeakPolarHBondContact O-CG 3.3Å; C271-K274 PolarHBondContact O-N 2.84Å; C271-K274 VanDerWaalsContact O-N 3.1Å |
| 272 | L | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -66.8 | -18.4 | 177.9 | -57.5 | -170.6 | 0 | 0 | 0 | 113.1 | V204 M207 L263 F266 S270 K274 F275 T276 I284 | V204-L272 HydrophobicContact CG1-CD2 4.26Å; V204-L272 HydrophobicContact CG2-CD2 3.82Å; M207-L272 HydrophobicContact SD-CD2 4.34Å; L263-L272 HydrophobicContact CD1-CD1 4.45Å; L263-L272 HydrophobicContact CD2-CD1 3.76Å; F266-L272 HydrophobicContact CB-CD1 3.89Å; F266-L272 HydrophobicContact CB-CG 4.42Å; F266-L272 HydrophobicContact CD1-CD2 4.23Å; S270-L272 PolarHBondContact O-N 3.42Å; S270-L272 VanDerWaalsContact O-N 3.12Å; L272-K274 PolarHBondContact O-N 3.16Å; L272-K274 VanDerWaalsContact O-N 3.14Å; L272-F275 HydrophobicContact CD2-CD2 4.5Å; L272-F275 PolarHBondContact O-N 2.89Å; L272-F275 VanDerWaalsContact O-N 3.16Å; L272-T276 PolarHBondContact O-N 3.07Å; L272-I284 HydrophobicContact CB-CD1 3.8Å; L272-I284 HydrophobicContact CB-CG1 4.45Å; L272-I284 HydrophobicContact CD1-CD1 3.44Å; L272-I284 VanDerWaalsContact CD1-CD1 3.44Å; L272-I284 HydrophobicContact CG-CD1 4.27Å |
| 273 | E | 90.9 | Very high | 91 | Very high | 96 Ų | 96 | 61.5 Ų | 61.5 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -61.3 | -20.1 | 172.7 | -63.1 | -176.1 | 174.3 | 0 | 0 | 112.2 | S270 C271 F275 | S270-E273 VanDerWaalsContact O-CB 3.26Å; S270-E273 WeakPolarHBondContact O-CB 3.22Å; S270-E273 WeakPolarHBondContact O-CG 3.23Å; S270-E273 PolarHBondContact O-N 2.97Å; C271-E273 PolarHBondContact O-N 3.19Å; E273-F275 VanDerWaalsContact C-N 3.28Å; E273-F275 PolarHBondContact O-N 3.24Å |
| 274 | K | 90.5 | Very high | 90.9 | Very high | 90 Ų | 90 | 61.5 Ų | 61.5 | 39% | 0.391 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -81.9 | -8.7 | -178.9 | -55 | -178.6 | -171.4 | -174.5 | 0 | 113.5 | K134 C271 L272 | K134-K274 HydrophobicContact CB-CD 4.42Å; K134-K274 WeakPolarHBondContact O-CD 3.4Å; K134-K274 VanDerWaalsContact O-CE 3.24Å; K134-K274 WeakPolarHBondContact O-CE 3.24Å; K134-K274 PolarHBondContact O-NZ 2.92Å; C271-K274 WeakPolarHBondContact O-CB 3.43Å; C271-K274 WeakPolarHBondContact O-CG 3.3Å; C271-K274 PolarHBondContact O-N 2.84Å; C271-K274 VanDerWaalsContact O-N 3.1Å; L272-K274 PolarHBondContact O-N 3.16Å; L272-K274 VanDerWaalsContact O-N 3.14Å |
| 275 | F | 90.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 0% | 0.004 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | -4.9 | -178.5 | -53.9 | -68.5 | 0 | 0 | 0 | 113.1 | V130 K134 M207 M208 H211 L272 E273 | V130-F275 HydrophobicContact CG1-CE1 3.83Å; V130-F275 HydrophobicContact CG1-CZ 4.43Å; K134-F275 HydrophobicContact CB-CE1 4.12Å; K134-F275 HydrophobicContact CB-CZ 3.93Å; K134-F275 HydrophobicContact CD-CD1 4.29Å; K134-F275 HydrophobicContact CD-CE1 3.62Å; K134-F275 HydrophobicContact CD-CZ 4.31Å; K134-F275 HydrophobicContact CG-CE1 4.49Å; M207-F275 HydrophobicContact CB-CB 4.28Å; M208-F275 HydrophobicContact CE-CE1 4.35Å; M208-F275 HydrophobicContact CE-CE2 4.08Å; M208-F275 HydrophobicContact CE-CZ 3.65Å; M208-F275 HydrophobicContact CG-CD1 4.26Å; M208-F275 HydrophobicContact CG-CE1 3.79Å; M208-F275 HydrophobicContact CG-CZ 4.01Å; H211-F275 HydrophobicContact CB-CD1 4.18Å; L272-F275 HydrophobicContact CD2-CD2 4.5Å; L272-F275 PolarHBondContact O-N 2.89Å; L272-F275 VanDerWaalsContact O-N 3.16Å; E273-F275 VanDerWaalsContact C-N 3.28Å; E273-F275 PolarHBondContact O-N 3.24Å |
| 276 | T | 91.1 | Very high | 91 | Very high | 30 Ų | 30 | 56.7 Ų | 56.7 | 18% | 0.184 | 30% | 0.301 | C | S | . | . | trans | -91.8 | 149.6 | 179.5 | -168.9 | 0 | 0 | 0 | 0 | 112.3 | L272 S278 V283 I284 S285 | L272-T276 PolarHBondContact O-N 3.07Å; T276-S278 WeakPolarHBondContact OG1-CB 3.39Å; T276-S278 PolarHBondContact OG1-N 3.13Å; T276-S278 VanDerWaalsContact OG1-N 3.11Å; T276-V283 PolarHBondContact OG1-O 3.01Å; T276-I284 WeakPolarHBondContact OG1-CA 3.43Å; T276-S285 PolarHBondContact OG1-N 3.24Å | ||
| 277 | N | 84.7 | Confident | 91 | Very high | 95 Ų | 95 | 58.8 Ų | 58.8 | 51% | 0.508 | 31% | 0.314 | S | S | . | . | trans | -104.6 | 2.4 | 168.3 | -67.3 | -92.9 | 0 | 0 | 0 | 112.4 | S285 P287 | N277-S285 PolarHBondContact N-O 3.45Å; N277-S285 PolarHBondContact ND2-O 3.48Å; N277-P287 WeakPolarHBondContact ND2-CD 3.5Å | ||
| 278 | S | 85.8 | Confident | 90.9 | Very high | 36 Ų | 36 | 55.7 Ų | 55.7 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | trans | -85.4 | 143.6 | 179.7 | -175.1 | 0 | 0 | 0 | 0 | 111.7 | T276 D280 S285 | T276-S278 WeakPolarHBondContact OG1-CB 3.39Å; T276-S278 PolarHBondContact OG1-N 3.13Å; T276-S278 VanDerWaalsContact OG1-N 3.11Å; S278-D280 PolarHBondContact OG-N 3.05Å; S278-D280 PolarHBondContact OG-O 3.11Å; S278-S285 WeakPolarHBondContact CB-OG 3.5Å; S278-S285 PolarHBondContact N-OG 3.16Å; S278-S285 VanDerWaalsContact N-OG 3.13Å | ||
| 279 | T | 84.9 | Confident | 91 | Very high | 148 Ų | 148 | 53.4 Ų | 53.4 | 91% | 0.908 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -84.2 | -19 | 165.6 | 53.8 | 0 | 0 | 0 | 0 | 112.6 | K281 | T279-K281 PolarHBondContact O-N 3Š|
| 280 | D | 88.9 | Confident | 91.2 | Very high | 75 Ų | 75 | 52.9 Ų | 52.9 | 40% | 0.401 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -75.3 | 114.8 | 171.6 | -178.5 | 0.4 | 0 | 0 | 0 | 109.8 | S278 N282 V283 | S278-D280 PolarHBondContact OG-N 3.05Å; S278-D280 PolarHBondContact OG-O 3.11Å; D280-N282 PolarHBondContact O-N 3.38Å; D280-N282 VanDerWaalsContact O-N 3.16Å; D280-N282 WeakPolarHBondContact OD1-CB 3.4Å; D280-N282 PolarHBondContact OD1-N 3.29Å; D280-N282 PolarHBondContact OD1-ND2 3.01Å; D280-N282 VanDerWaalsContact OD1-ND2 3.15Å; D280-V283 PolarHBondContact O-N 2.84Å; D280-V283 VanDerWaalsContact O-N 3.17Å; D280-V283 VanDerWaalsContact O-O 3.1Å |
| 281 | K | 85 | Confident | 91.4 | Very high | 151 Ų | 151 | 52.5 Ų | 52.5 | 66% | 0.657 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.2 | 179 | -66.3 | -168.5 | 175.9 | -167 | 0 | 113.1 | R258 T279 V283 | R258-K281 WeakPolarHBondContact CD-O 3.48Å; R258-K281 PolarHBondContact NE-O 3.19Å; T279-K281 PolarHBondContact O-N 3Å; K281-V283 VanDerWaalsContact C-N 3.28Å; K281-V283 PolarHBondContact O-N 3.49Å |
| 282 | N | 91.1 | Very high | 91.6 | Very high | 86 Ų | 86 | 52.9 Ų | 52.9 | 46% | 0.46 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -5 | -179.3 | -60.8 | -64.6 | 0 | 0 | 0 | 113.9 | T257 R258 D280 | T257-N282 PolarHBondContact OG1-O 2.99Å; R258-N282 PolarHBondContact N-O 3.24Å; D280-N282 PolarHBondContact O-N 3.38Å; D280-N282 VanDerWaalsContact O-N 3.16Å; D280-N282 WeakPolarHBondContact OD1-CB 3.4Å; D280-N282 PolarHBondContact OD1-N 3.29Å; D280-N282 PolarHBondContact OD1-ND2 3.01Å; D280-N282 VanDerWaalsContact OD1-ND2 3.15Å |
| 283 | V | 94.5 | Very high | 91.6 | Very high | 25 Ų | 25 | 53 Ų | 53 | 15% | 0.152 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 137.9 | -173.5 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | Q255 I256 T276 D280 K281 | Q255-V283 HydrophobicContact CB-CG1 3.75Å; Q255-V283 HydrophobicContact CG-CG1 4.42Å; I256-V283 WeakPolarHBondContact O-CA 3.3Å; T276-V283 PolarHBondContact OG1-O 3.01Å; D280-V283 PolarHBondContact O-N 2.84Å; D280-V283 VanDerWaalsContact O-N 3.17Å; D280-V283 VanDerWaalsContact O-O 3.1Å; K281-V283 VanDerWaalsContact C-N 3.28Å; K281-V283 PolarHBondContact O-N 3.49Å |
| 284 | I | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 122.8 | 170.7 | -59.2 | 161.3 | 0 | 0 | 0 | 107.1 | M207 Y250 Q255 I256 R258 L263 L272 T276 | M207-I284 HydrophobicContact CE-CB 4.08Å; M207-I284 HydrophobicContact CE-CD1 3.79Å; M207-I284 HydrophobicContact CE-CG2 3.69Å; M207-I284 HydrophobicContact CG-CG2 4.43Å; M207-I284 HydrophobicContact SD-CD1 4.3Å; M207-I284 HydrophobicContact SD-CG2 3.79Å; Y250-I284 HydrophobicContact CE2-CG2 4.07Å; Q255-I284 CarbonylContact C-O 3.5Å; Q255-I284 VanDerWaalsContact CA-O 3.23Å; Q255-I284 WeakPolarHBondContact CA-O 3.48Å; I256-I284 HydrophobicContact CG2-CB 4.17Å; I256-I284 PolarHBondContact N-O 3.1Å; I256-I284 PolarHBondContact O-N 2.78Å; R258-I284 HydrophobicContact CG-CD1 4.03Å; R258-I284 HydrophobicContact CG-CG1 4.06Å; L263-I284 HydrophobicContact CD1-CD1 4.19Å; L272-I284 HydrophobicContact CB-CD1 3.8Å; L272-I284 HydrophobicContact CB-CG1 4.45Å; L272-I284 HydrophobicContact CD1-CD1 3.44Å; L272-I284 VanDerWaalsContact CD1-CD1 3.44Å; L272-I284 HydrophobicContact CG-CD1 4.27Å; T276-I284 WeakPolarHBondContact OG1-CA 3.43Å |
| 285 | S | 96.4 | Very high | 90.8 | Very high | 18 Ų | 18 | 47 Ų | 47 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 158 | -174.1 | 70.3 | 0 | 0 | 0 | 0 | 113.9 | G254 T276 N277 S278 | G254-S285 CarbonylContact O-C 3.5Å; G254-S285 WeakPolarHBondContact O-CA 3.31Å; G254-S285 VanDerWaalsContact O-CB 3.3Å; G254-S285 WeakPolarHBondContact O-CB 3.48Å; T276-S285 PolarHBondContact OG1-N 3.24Å; N277-S285 PolarHBondContact N-O 3.45Å; N277-S285 PolarHBondContact ND2-O 3.48Å; S278-S285 WeakPolarHBondContact CB-OG 3.5Å; S278-S285 PolarHBondContact N-OG 3.16Å; S278-S285 VanDerWaalsContact N-OG 3.13Å |
| 286 | H | 95.7 | Very high | 90.1 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 5% | 0.051 | 28% | 0.275 | C | S | . | . | trans | -127.7 | 154.4 | 169.6 | 64.9 | 91.2 | 0 | 0 | 0 | 111.4 | T210 Y250 L251 G254 L288 | T210-H286 HydrophobicContact CG2-CB 4.48Å; Y250-H286 AromaticContact CE1-CD2 3.54Å; Y250-H286 AromaticContact CE2-CD2 3.63Å; Y250-H286 AromaticContact CZ-CD2 3.33Å; Y250-H286 PolarHBondContact O-NE2 3.27Å; L251-H286 WeakPolarHBondContact CA-NE2 3.46Å; L251-H286 PolarHBondContact O-CE1 3.03Å; L251-H286 PolarHBondContact O-NE2 3.1Å; G254-H286 WeakPolarHBondContact CA-NE2 3.5Å; G254-H286 PolarHBondContact O-N 3.14Å; H286-L288 PolarHBondContact CE1-O 3.05Å; H286-L288 WeakPolarHBondContact ND1-CB 3.36Å; H286-L288 PolarHBondContact ND1-N 2.98Å; H286-L288 PolarHBondContact ND1-O 3.17Å | ||
| 287 | P | 94.1 | Very high | 89.7 | Confident | 43 Ų | 43 | 57.5 Ų | 57.5 | 28% | 0.279 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -82.7 | -15.5 | -176.3 | 33.6 | -37 | 0 | 0 | 0 | 113.1 | N277 R289 | N277-P287 WeakPolarHBondContact ND2-CD 3.5Å; P287-R289 PolarHBondContact O-N 3.39Å |
| 288 | L | 91.3 | Very high | 89.6 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | trans | -68.8 | 97.6 | -179 | -44.8 | 176 | 0 | 0 | 0 | 108.1 | T210 V213 L217 I235 H286 L290 | T210-L288 HydrophobicContact CG2-CD1 4.23Å; V213-L288 HydrophobicContact CB-CD1 3.93Å; V213-L288 HydrophobicContact CG1-CD1 3.63Å; V213-L288 HydrophobicContact CG1-CD2 4.23Å; L217-L288 HydrophobicContact CD1-CD2 3.3Å; L217-L288 HydrophobicContact CG-CD2 4.5Å; I235-L288 HydrophobicContact CD1-CD1 4.02Å; H286-L288 PolarHBondContact CE1-O 3.05Å; H286-L288 WeakPolarHBondContact ND1-CB 3.36Å; H286-L288 PolarHBondContact ND1-N 2.98Å; H286-L288 PolarHBondContact ND1-O 3.17Å; L288-L290 HydrophobicContact CB-CD1 4.21Å; L288-L290 HydrophobicContact CB-CD2 4.03Å; L288-L290 HydrophobicContact CB-CG 3.9Å; L288-L290 WeakPolarHBondContact O-CG 3.26Å; L288-L290 PolarHBondContact O-N 2.84Å | ||
| 289 | R | 91.9 | Very high | 89.7 | Confident | 110 Ų | 110 | 53.8 Ų | 53.8 | 42% | 0.415 | 29% | 0.286 | S | S | . | . | trans | -72.1 | 97.4 | 173.8 | -64.3 | 178.3 | -178 | -153 | -4.3 | 107.4 | P287 P319 Q371 | P287-R289 PolarHBondContact O-N 3.39Å; R289-P319 WeakPolarHBondContact O-CD 3.17Å; R289-Q371 VanDerWaalsContact NH1-OE1 3.12Å | ||
| 290 | L | 96.6 | Very high | 89.9 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.047 | 26% | 0.262 | C | S | . | . | trans | -102.3 | 142.5 | -173.8 | -60.9 | 171.4 | 0 | 0 | 0 | 110.3 | I235 L251 L288 F316 A317 T318 | I235-L290 HydrophobicContact CD1-CD1 3.89Å; I235-L290 HydrophobicContact CD1-CD2 4.39Å; L251-L290 HydrophobicContact CD2-CD1 4.2Å; L251-L290 WeakPolarHBondContact O-CB 3.43Å; L288-L290 HydrophobicContact CB-CD1 4.21Å; L288-L290 HydrophobicContact CB-CD2 4.03Å; L288-L290 HydrophobicContact CB-CG 3.9Å; L288-L290 WeakPolarHBondContact O-CG 3.26Å; L288-L290 PolarHBondContact O-N 2.84Å; L290-F316 HydrophobicContact CB-CB 4.1Å; L290-F316 HydrophobicContact CB-CD1 3.94Å; L290-F316 HydrophobicContact CB-CG 4.37Å; L290-F316 HydrophobicContact CD1-CB 4.2Å; L290-F316 HydrophobicContact CD2-CB 4.31Å; L290-F316 HydrophobicContact CG-CB 4.42Å; L290-A317 CarbonylContact C-O 3.54Å; L290-A317 WeakPolarHBondContact CA-O 3.17Å; L290-T318 HydrophobicContact CD2-CG2 4.17Å | ||
| 291 | D | 95.4 | Very high | 90.1 | Very high | 70 Ų | 70 | 47.6 Ų | 47.6 | 37% | 0.374 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 133.1 | 169.3 | -175.7 | 49.4 | 0 | 0 | 0 | 108.6 | F316 A317 P319 R324 | D291-F316 WeakPolarHBondContact O-CA 3.42Å; D291-A317 PolarHBondContact N-O 2.9Å; D291-A317 PolarHBondContact O-N 3.33Å; D291-P319 HydrophobicContact CB-CB 4.28Å; D291-P319 HydrophobicContact CB-CG 4.03Å; D291-R324 IonicContact OD2-CZ 2.75Å; D291-R324 IonicContact OD2-NH1 2.73Å; D291-R324 PolarHBondContact OD2-NH1 2.89Å; D291-R324 IonicContact OD2-NH2 2.64Å |
| 292 | S | 95.9 | Very high | 90.6 | Very high | 11 Ų | 11 | 40.4 Ų | 40.4 | 8% | 0.077 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 133.6 | 176.8 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | C294 I315 R324 | S292-C294 VanDerWaalsContact C-N 3.25Å; S292-C294 WeakPolarHBondContact CB-O 3.32Å; S292-C294 PolarHBondContact OG-N 2.73Å; S292-C294 VanDerWaalsContact OG-N 3.17Å; S292-C294 PolarHBondContact OG-O 3.43Å; S292-I315 CarbonylContact C-O 3.6Å; S292-R324 PolarHBondContact O-NH1 2.93Å |
| 293 | A | 92.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -65 | -34.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I315 I327 A358 Y360 | A293-I315 HydrophobicContact CB-CB 3.92Å; A293-I315 HydrophobicContact CB-CG2 4.19Å; A293-I315 WeakPolarHBondContact CB-O 3.25Å; A293-I315 PolarHBondContact N-O 3.29Å; A293-I327 HydrophobicContact CB-CG2 4.12Å; A293-I327 WeakPolarHBondContact O-CG2 3.45Å; A293-A358 HydrophobicContact CB-CB 3.84Å; A293-Y360 WeakPolarHBondContact CB-OH 3.38Å |
| 294 | C | 84.4 | Confident | 91.1 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.02 | 20% | 0.196 | C | C | . | . | trans | -99.8 | 132 | -174.1 | -56 | 0 | 0 | 0 | 0 | 109.8 | S292 I299 M311 | S292-C294 VanDerWaalsContact C-N 3.25Å; S292-C294 WeakPolarHBondContact CB-O 3.32Å; S292-C294 PolarHBondContact OG-N 2.73Å; S292-C294 VanDerWaalsContact OG-N 3.17Å; S292-C294 PolarHBondContact OG-O 3.43Å; C294-I299 HydrophobicContact CB-CD1 4.11Å; C294-M311 HydrophobicContact CB-CE 4.06Å; C294-M311 HydrophobicContact CB-SD 4.01Å | ||
| 295 | D | 80.6 | Confident | 91.1 | Very high | 58 Ų | 58 | 37.8 Ų | 37.8 | 31% | 0.31 | 20% | 0.202 | S | C | . | . | trans | -125.8 | 151.6 | 170.7 | 77.2 | 83.6 | 0 | 0 | 0 | 110 | N297 S298 I299 | D295-N297 PolarHBondContact O-N 3.33Å; D295-N297 VanDerWaalsContact O-N 3.17Å; D295-N297 WeakPolarHBondContact OD1-CA 3.42Å; D295-N297 WeakPolarHBondContact OD1-CB 3.23Å; D295-N297 PolarHBondContact OD1-N 3.41Å; D295-N297 PolarHBondContact OD1-ND2 3.42Å; D295-S298 PolarHBondContact O-N 3.09Å; D295-S298 PolarHBondContact OD1-N 3Å; D295-S298 VanDerWaalsContact OD1-N 3.08Å; D295-S298 PolarHBondContact OD1-OG 2.9Å; D295-S298 WeakPolarHBondContact OD2-CB 3.44Å; D295-S298 PolarHBondContact OD2-OG 3.21Å; D295-I299 PolarHBondContact O-N 3.09Å | ||
| 296 | I | 76.3 | Confident | 91 | Very high | 100 Ų | 100 | 40.5 Ų | 40.5 | 51% | 0.513 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.7 | -173.7 | -163.4 | 165.7 | 0 | 0 | 0 | 113.6 | P243 | P243-I296 HydrophobicContact CG-CD1 4.35Š|
| 297 | N | 82.1 | Confident | 91 | Very high | 151 Ų | 151 | 46.6 Ų | 46.6 | 81% | 0.807 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -29.3 | 177.3 | -51 | -59.6 | 0 | 0 | 0 | 111.2 | D295 | D295-N297 PolarHBondContact O-N 3.33Å; D295-N297 VanDerWaalsContact O-N 3.17Å; D295-N297 WeakPolarHBondContact OD1-CA 3.42Å; D295-N297 WeakPolarHBondContact OD1-CB 3.23Å; D295-N297 PolarHBondContact OD1-N 3.41Å; D295-N297 PolarHBondContact OD1-ND2 3.42Å |
| 298 | S | 81.9 | Confident | 91 | Very high | 45 Ų | 45 | 46.9 Ų | 46.9 | 32% | 0.315 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -40.9 | 179.8 | -59.5 | 0 | 0 | 0 | 0 | 112.7 | D295 P330 | D295-S298 PolarHBondContact O-N 3.09Å; D295-S298 PolarHBondContact OD1-N 3Å; D295-S298 VanDerWaalsContact OD1-N 3.08Å; D295-S298 PolarHBondContact OD1-OG 2.9Å; D295-S298 WeakPolarHBondContact OD2-CB 3.44Å; D295-S298 PolarHBondContact OD2-OG 3.21Å; S298-P330 WeakPolarHBondContact O-CB 3.5Å; S298-P330 WeakPolarHBondContact O-CD 3.49Å; S298-P330 WeakPolarHBondContact O-CG 3.41Å |
| 299 | I | 88.6 | Confident | 91.2 | Very high | 9 Ų | 9 | 50.9 Ų | 50.9 | 5% | 0.046 | 26% | 0.262 | C | S | . | . | trans | -128.9 | 104.8 | -176.8 | -62.1 | 173 | 0 | 0 | 0 | 108 | C294 D295 F301 T302 M311 I327 I356 | C294-I299 HydrophobicContact CB-CD1 4.11Å; D295-I299 PolarHBondContact O-N 3.09Å; I299-F301 VanDerWaalsContact C-N 3.35Å; I299-F301 WeakPolarHBondContact CG2-O 3.41Å; I299-F301 PolarHBondContact O-N 3.09Å; I299-T302 HydrophobicContact CG2-CG2 3.92Å; I299-M311 HydrophobicContact CB-CE 3.82Å; I299-M311 HydrophobicContact CG2-CE 4.14Å; I299-M311 WeakPolarHBondContact O-CE 3.1Å; I299-I327 HydrophobicContact CD1-CD1 4.31Å; I299-I356 HydrophobicContact CD1-CG2 4.27Å | ||
| 300 | P | 88.4 | Confident | 91.4 | Very high | 64 Ų | 64 | 45.9 Ų | 45.9 | 42% | 0.416 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -73.2 | -27.6 | -173.3 | 26.9 | -33.6 | 0 | 0 | 0 | 113.3 | ||
| 301 | F | 93.3 | Very high | 91.3 | Very high | 29 Ų | 29 | 45.6 Ų | 45.6 | 13% | 0.127 | 24% | 0.243 | C | C | . | . | trans | -152.7 | 149.9 | -179.9 | 47.3 | -99.6 | 0 | 0 | 0 | 110.9 | I299 Y304 F331 I354 | I299-F301 VanDerWaalsContact C-N 3.35Å; I299-F301 WeakPolarHBondContact CG2-O 3.41Å; I299-F301 PolarHBondContact O-N 3.09Å; F301-Y304 AromaticContact CD1-CD2 3.99Å; F301-Y304 HydrophobicContact CD1-CD2 3.99Å; F301-Y304 HydrophobicContact CD1-CE2 4.37Å; F301-Y304 AromaticContact CD2-CD2 3.67Å; F301-Y304 HydrophobicContact CD2-CD2 3.67Å; F301-Y304 HydrophobicContact CD2-CG 4.23Å; F301-Y304 AromaticContact CE1-CD2 3.93Å; F301-Y304 HydrophobicContact CE1-CD2 3.93Å; F301-Y304 AromaticContact CE1-CE2 3.99Å; F301-Y304 HydrophobicContact CE1-CE2 3.99Å; F301-Y304 AromaticContact CE2-CD2 3.6Å; F301-Y304 HydrophobicContact CE2-CD2 3.6Å; F301-Y304 HydrophobicContact CE2-CE2 4.25Å; F301-Y304 HydrophobicContact CE2-CG 4.19Å; F301-Y304 AromaticContact CG-CD2 3.88Å; F301-Y304 HydrophobicContact CG-CD2 3.88Å; F301-Y304 AromaticContact CZ-CD2 3.74Å; F301-Y304 HydrophobicContact CZ-CD2 3.74Å; F301-Y304 AromaticContact CZ-CE2 3.93Å; F301-Y304 HydrophobicContact CZ-CE2 3.93Å; F301-F331 HydrophobicContact CE2-CB 4.48Å; F301-I354 HydrophobicContact CD2-CD1 3.44Å; F301-I354 VanDerWaalsContact CD2-CD1 3.44Å; F301-I354 HydrophobicContact CE2-CD1 3.37Å | ||
| 302 | T | 96.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -121 | -21.8 | 170.8 | 64.1 | 0 | 0 | 0 | 0 | 111.3 | I299 G310 M311 I312 D313 H353 I354 I356 | I299-T302 HydrophobicContact CG2-CG2 3.92Å; T302-G310 PolarHBondContact N-O 3.4Å; T302-M311 HydrophobicContact CG2-CB 4.42Å; T302-M311 HydrophobicContact CG2-CG 3.95Å; T302-I312 PolarHBondContact OG1-N 3.23Å; T302-D313 WeakPolarHBondContact CB-OD2 3.36Å; T302-D313 HydrophobicContact CG2-CB 4.21Å; T302-D313 WeakPolarHBondContact OG1-CB 3.41Å; T302-D313 PolarHBondContact OG1-N 3.14Å; T302-D313 PolarHBondContact OG1-OD2 3Å; T302-H353 CarbonylContact O-C 3.57Å; T302-H353 WeakPolarHBondContact O-CA 2.96Å; T302-I354 PolarHBondContact O-N 3.18Å; T302-I356 HydrophobicContact CG2-CG2 3.66Å |
| 303 | N | 97.8 | Very high | 91.6 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 5% | 0.053 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 134.7 | 162.2 | -179.4 | -78.8 | 0 | 0 | 0 | 109.4 | F308 K309 G310 I312 D352 H353 | N303-F308 HydrophobicContact CB-CD1 4.33Å; N303-F308 HydrophobicContact CB-CE1 4.2Å; N303-F308 WeakPolarHBondContact OD1-CD1 3.21Å; N303-K309 WeakPolarHBondContact O-CA 3.39Å; N303-G310 PolarHBondContact N-O 2.8Å; N303-G310 PolarHBondContact O-N 3.01Å; N303-G310 VanDerWaalsContact O-N 3.08Å; N303-I312 HydrophobicContact CB-CD1 3.67Å; N303-I312 HydrophobicContact CB-CG1 3.84Å; N303-D352 WeakPolarHBondContact CA-O 3.34Å; N303-D352 PolarHBondContact ND2-OD2 2.74Å; N303-H353 PolarHBondContact ND2-CD2 2.62Å; N303-H353 PolarHBondContact ND2-NE2 3.29Å |
| 304 | Y | 97.1 | Very high | 91.8 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 10% | 0.102 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 92.9 | -177 | -170.5 | -87.1 | 0 | 0 | 0 | 110.1 | F301 K309 V336 I341 G343 F344 D352 | F301-Y304 AromaticContact CD1-CD2 3.99Å; F301-Y304 HydrophobicContact CD1-CD2 3.99Å; F301-Y304 HydrophobicContact CD1-CE2 4.37Å; F301-Y304 AromaticContact CD2-CD2 3.67Å; F301-Y304 HydrophobicContact CD2-CD2 3.67Å; F301-Y304 HydrophobicContact CD2-CG 4.23Å; F301-Y304 AromaticContact CE1-CD2 3.93Å; F301-Y304 HydrophobicContact CE1-CD2 3.93Å; F301-Y304 AromaticContact CE1-CE2 3.99Å; F301-Y304 HydrophobicContact CE1-CE2 3.99Å; F301-Y304 AromaticContact CE2-CD2 3.6Å; F301-Y304 HydrophobicContact CE2-CD2 3.6Å; F301-Y304 HydrophobicContact CE2-CE2 4.25Å; F301-Y304 HydrophobicContact CE2-CG 4.19Å; F301-Y304 AromaticContact CG-CD2 3.88Å; F301-Y304 HydrophobicContact CG-CD2 3.88Å; F301-Y304 AromaticContact CZ-CD2 3.74Å; F301-Y304 HydrophobicContact CZ-CD2 3.74Å; F301-Y304 AromaticContact CZ-CE2 3.93Å; F301-Y304 HydrophobicContact CZ-CE2 3.93Å; Y304-K309 HydrophobicContact CD2-CB 4.29Å; Y304-K309 HydrophobicContact CD2-CD 3.84Å; Y304-K309 HydrophobicContact CD2-CG 3.72Å; Y304-K309 HydrophobicContact CE2-CD 3.47Å; Y304-K309 VanDerWaalsContact CE2-CD 3.47Å; Y304-K309 HydrophobicContact CE2-CG 3.92Å; Y304-K309 HydrophobicContact CG-CG 4.24Å; Y304-K309 WeakPolarHBondContact OH-CE 3.38Å; Y304-V336 HydrophobicContact CE1-CG1 4.2Å; Y304-V336 WeakPolarHBondContact OH-CG1 3.28Å; Y304-I341 HydrophobicContact CE1-CG2 4.49Å; Y304-I341 PolarHBondContact OH-O 2.75Å; Y304-G343 CarbonylContact O-C 3.54Å; Y304-F344 AromaticContact CD1-CD2 3.98Å; Y304-F344 HydrophobicContact CD1-CD2 3.98Å; Y304-F344 HydrophobicContact CD1-CE2 4.12Å; Y304-F344 HydrophobicContact CD1-CG 4.18Å; Y304-F344 HydrophobicContact CD1-CZ 4.47Å; Y304-F344 HydrophobicContact CG-CD2 4.17Å; Y304-F344 HydrophobicContact CG-CE2 4.25Å; Y304-F344 WeakPolarHBondContact O-CA 3.3Å; Y304-F344 WeakPolarHBondContact O-CB 3.48Å; Y304-F344 PolarHBondContact O-N 3.16Å; Y304-D352 PolarHBondContact N-O 3.45Å |
| 305 | T | 96.9 | Very high | 92.5 | Very high | 19 Ų | 19 | 42 Ų | 42 | 12% | 0.117 | 22% | 0.222 | C | C | . | . | trans | -114.3 | 177.3 | 174.3 | 63.9 | 0 | 0 | 0 | 0 | 110.7 | Y32 Y34 D307 F308 K309 D352 | Y32-T305 HydrophobicContact CE1-CG2 4.02Å; Y34-T305 WeakPolarHBondContact OH-CA 3.37Å; Y34-T305 WeakPolarHBondContact OH-CB 3.49Å; T305-D307 VanDerWaalsContact C-N 3.35Å; T305-F308 PolarHBondContact N-O 3.04Å; T305-F308 PolarHBondContact OG1-N 2.93Å; T305-F308 PolarHBondContact OG1-O 2.98Å; T305-K309 PolarHBondContact O-NZ 2.67Å; T305-D352 HydrophobicContact CG2-CB 3.79Å | ||
| 306 | L | 94.4 | Very high | 93.4 | Very high | 75 Ų | 75 | 39.3 Ų | 39.3 | 39% | 0.393 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -57.6 | -49.1 | 173.8 | -178.3 | 67.3 | 0 | 0 | 0 | 111.4 | Y34 K309 L342 | Y34-L306 HydrophobicContact CD1-CB 3.73Å; Y34-L306 HydrophobicContact CD1-CD2 4.15Å; Y34-L306 HydrophobicContact CD1-CG 4.47Å; Y34-L306 HydrophobicContact CE1-CB 3.41Å; Y34-L306 VanDerWaalsContact CE1-CB 3.41Å; Y34-L306 PolarHBondContact OH-N 3.08Å; L306-K309 PolarHBondContact O-NZ 2.8Å; L306-L342 HydrophobicContact CD1-CB 4.08Å |
| 307 | D | 93.9 | Very high | 94.4 | Very high | 139 Ų | 139 | 34.6 Ų | 34.6 | 74% | 0.743 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -90 | -25.2 | -170.1 | -59.8 | -38.5 | 0 | 0 | 0 | 113.5 | T305 | T305-D307 VanDerWaalsContact C-N 3.35Š|
| 308 | F | 95.8 | Very high | 95.1 | Very high | 49 Ų | 49 | 27.6 Ų | 27.6 | 22% | 0.215 | 15% | 0.146 | C | C | . | . | trans | -136 | 134 | -177.7 | 178.6 | -100.6 | 0 | 0 | 0 | 112.1 | L242 N303 T305 I312 L398 | L242-F308 HydrophobicContact CD2-CE2 4.28Å; L242-F308 HydrophobicContact CD2-CZ 3.89Å; L242-F308 HydrophobicContact CG-CZ 4.47Å; N303-F308 HydrophobicContact CB-CD1 4.33Å; N303-F308 HydrophobicContact CB-CE1 4.2Å; N303-F308 WeakPolarHBondContact OD1-CD1 3.21Å; T305-F308 PolarHBondContact N-O 3.04Å; T305-F308 PolarHBondContact OG1-N 2.93Å; T305-F308 PolarHBondContact OG1-O 2.98Å; F308-I312 HydrophobicContact CE1-CD1 4.08Å; F308-I312 HydrophobicContact CE1-CG1 4.49Å; F308-I312 HydrophobicContact CE1-CG2 3.96Å; F308-I312 HydrophobicContact CZ-CG2 3.78Å; F308-L398 HydrophobicContact CD2-CD1 4.15Å; F308-L398 HydrophobicContact CD2-CD2 4.46Å | ||
| 309 | K | 95.3 | Very high | 95.8 | Very high | 91 Ų | 91 | 28.4 Ų | 28.4 | 40% | 0.396 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 116.3 | 174.8 | -62.9 | 171.2 | 175.1 | 64.2 | 0 | 107.6 | N303 Y304 T305 L306 L342 | N303-K309 WeakPolarHBondContact O-CA 3.39Å; Y304-K309 HydrophobicContact CD2-CB 4.29Å; Y304-K309 HydrophobicContact CD2-CD 3.84Å; Y304-K309 HydrophobicContact CD2-CG 3.72Å; Y304-K309 HydrophobicContact CE2-CD 3.47Å; Y304-K309 VanDerWaalsContact CE2-CD 3.47Å; Y304-K309 HydrophobicContact CE2-CG 3.92Å; Y304-K309 HydrophobicContact CG-CG 4.24Å; Y304-K309 WeakPolarHBondContact OH-CE 3.38Å; T305-K309 PolarHBondContact O-NZ 2.67Å; L306-K309 PolarHBondContact O-NZ 2.8Å; K309-L342 PolarHBondContact NZ-O 3.37Å |
| 310 | G | 95 | Very high | 96 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 5% | 0.052 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.7 | 163 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T302 N303 | T302-G310 PolarHBondContact N-O 3.4Å; N303-G310 PolarHBondContact N-O 2.8Å; N303-G310 PolarHBondContact O-N 3.01Å; N303-G310 VanDerWaalsContact O-N 3.08Å |
| 311 | M | 96.1 | Very high | 96.3 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 14% | 0.136 | C | C | . | . | trans | -84.8 | 112.4 | 171 | 178.8 | -176.9 | -59.5 | 0 | 0 | 108.6 | P243 C294 I299 T302 Y314 | P243-M311 HydrophobicContact CG-CB 4.07Å; P243-M311 HydrophobicContact CG-CG 4.33Å; P243-M311 HydrophobicContact CG-SD 4.02Å; C294-M311 HydrophobicContact CB-CE 4.06Å; C294-M311 HydrophobicContact CB-SD 4.01Å; I299-M311 HydrophobicContact CB-CE 3.82Å; I299-M311 HydrophobicContact CG2-CE 4.14Å; I299-M311 WeakPolarHBondContact O-CE 3.1Å; T302-M311 HydrophobicContact CG2-CB 4.42Å; T302-M311 HydrophobicContact CG2-CG 3.95Å; M311-Y314 HydrophobicContact CG-CD1 4.36Å; M311-Y314 HydrophobicContact CG-CE1 3.67Å; M311-Y314 PolarHBondContact O-OH 2.64Å; M311-Y314 HydrophobicContact SD-CD1 4.05Å; M311-Y314 HydrophobicContact SD-CE1 3.46Å; M311-Y314 WeakPolarHBondContact SD-CE1 3.43Å | ||
| 312 | I | 97.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 25.3 Ų | 25.3 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | trans | -128.7 | -6.1 | 176.3 | 57.7 | 171.7 | 0 | 0 | 0 | 112.9 | F239 L242 T302 N303 F308 Y314 | F239-I312 PolarHBondContact N-O 2.99Å; L242-I312 HydrophobicContact CD2-CG2 4.3Å; T302-I312 PolarHBondContact OG1-N 3.23Å; N303-I312 HydrophobicContact CB-CD1 3.67Å; N303-I312 HydrophobicContact CB-CG1 3.84Å; F308-I312 HydrophobicContact CE1-CD1 4.08Å; F308-I312 HydrophobicContact CE1-CG1 4.49Å; F308-I312 HydrophobicContact CE1-CG2 3.96Å; F308-I312 HydrophobicContact CZ-CG2 3.78Å; I312-Y314 WeakPolarHBondContact O-CE2 3.44Å | ||
| 313 | D | 98.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.016 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 137.4 | 176.3 | -52 | -85.8 | 0 | 0 | 0 | 110.1 | G237 D238 T302 H353 I356 | G237-D313 VanDerWaalsContact O-CA 3.31Å; G237-D313 WeakPolarHBondContact O-CA 3.41Å; D238-D313 WeakPolarHBondContact CB-OD1 3.43Å; T302-D313 WeakPolarHBondContact CB-OD2 3.36Å; T302-D313 HydrophobicContact CG2-CB 4.21Å; T302-D313 WeakPolarHBondContact OG1-CB 3.41Å; T302-D313 PolarHBondContact OG1-N 3.14Å; T302-D313 PolarHBondContact OG1-OD2 3Å; D313-H353 IonicContact OD1-CE1 3.62Å; D313-H353 IonicContact OD1-ND1 3.52Å; D313-H353 PolarHBondContact OD1-ND1 3.35Å; D313-H353 IonicContact OD2-CE1 3.9Å; D313-H353 IonicContact OD2-CG 3.26Å; D313-H353 IonicContact OD2-ND1 3.18Å; D313-H353 PolarHBondContact OD2-ND1 2.83Å; D313-I356 HydrophobicContact CB-CD1 4Å; D313-I356 WeakPolarHBondContact O-CD1 3.05Å |
| 314 | Y | 98.2 | Very high | 96.4 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.008 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 151.4 | -175.6 | -56.7 | -84.2 | 0 | 0 | 0 | 112.7 | C236 G237 F239 S241 L242 P243 F248 M311 I312 F316 | C236-Y314 CarbonylContact C-O 3.28Å; C236-Y314 VanDerWaalsContact CA-O 3.25Å; C236-Y314 WeakPolarHBondContact CA-O 3.33Å; G237-Y314 PolarHBondContact N-O 3.03Å; G237-Y314 PolarHBondContact O-N 3.2Å; F239-Y314 HydrophobicContact CB-CD2 3.96Å; F239-Y314 HydrophobicContact CB-CE2 4.12Å; F239-Y314 AromaticContact CD2-CD2 3.71Å; F239-Y314 HydrophobicContact CD2-CD2 3.71Å; F239-Y314 HydrophobicContact CD2-CG 4.45Å; F239-Y314 HydrophobicContact CG-CD2 4.07Å; S241-Y314 WeakPolarHBondContact O-CE2 3.39Å; S241-Y314 PolarHBondContact O-OH 3Å; L242-Y314 VanDerWaalsContact C-OH 3.24Å; P243-Y314 WeakPolarHBondContact CD-OH 3.33Å; P243-Y314 HydrophobicContact CG-CE1 4.49Å; F248-Y314 AromaticContact CD2-CD1 3.86Å; F248-Y314 HydrophobicContact CD2-CD1 3.86Å; F248-Y314 AromaticContact CD2-CE1 3.36Å; F248-Y314 HydrophobicContact CD2-CE1 3.36Å; F248-Y314 HydrophobicContact CD2-CE2 4.46Å; F248-Y314 AromaticContact CD2-CZ 3.72Å; F248-Y314 AromaticContact CE2-CD1 3.67Å; F248-Y314 HydrophobicContact CE2-CD1 3.67Å; F248-Y314 AromaticContact CE2-CE1 3.4Å; F248-Y314 HydrophobicContact CE2-CE1 3.4Å; F248-Y314 VanDerWaalsContact CE2-CE1 3.4Å; M311-Y314 HydrophobicContact CG-CD1 4.36Å; M311-Y314 HydrophobicContact CG-CE1 3.67Å; M311-Y314 PolarHBondContact O-OH 2.64Å; M311-Y314 HydrophobicContact SD-CD1 4.05Å; M311-Y314 HydrophobicContact SD-CE1 3.46Å; M311-Y314 WeakPolarHBondContact SD-CE1 3.43Å; I312-Y314 WeakPolarHBondContact O-CE2 3.44Å; Y314-F316 VanDerWaalsContact CB-CE2 3.41Å; Y314-F316 HydrophobicContact CD1-CE2 4.34Å; Y314-F316 HydrophobicContact CD1-CZ 4.36Å; Y314-F316 HydrophobicContact CD2-CE2 4.3Å; Y314-F316 AromaticContact CG-CE2 3.77Å; Y314-F316 HydrophobicContact CG-CE2 3.77Å; Y314-F316 HydrophobicContact CG-CZ 4.24Å |
| 315 | I | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 104.3 | 164.3 | -63.5 | 162.5 | 0 | 0 | 0 | 106.5 | V16 C18 L234 S292 A293 I356 A358 Y360 | V16-I315 HydrophobicContact CG1-CD1 4.28Å; V16-I315 HydrophobicContact CG1-CG2 3.86Å; C18-I315 HydrophobicContact CB-CD1 4.18Å; C18-I315 HydrophobicContact CB-CG1 3.82Å; L234-I315 HydrophobicContact CD2-CG2 4.21Å; S292-I315 CarbonylContact C-O 3.6Å; A293-I315 HydrophobicContact CB-CB 3.92Å; A293-I315 HydrophobicContact CB-CG2 4.19Å; A293-I315 WeakPolarHBondContact CB-O 3.25Å; A293-I315 PolarHBondContact N-O 3.29Å; I315-I356 HydrophobicContact CD1-CB 4.38Å; I315-I356 HydrophobicContact CD1-CD1 4.1Å; I315-I356 HydrophobicContact CD1-CG1 3.85Å; I315-I356 HydrophobicContact CG1-CD1 3.85Å; I315-I356 HydrophobicContact CG1-CG1 4.08Å; I315-A358 HydrophobicContact CD1-CB 4.3Å; I315-Y360 HydrophobicContact CG2-CE2 4.19Å |
| 316 | F | 98.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 136 | 172.7 | -73.7 | -79.6 | 0 | 0 | 0 | 110.3 | L234 I235 F239 F248 L251 L290 D291 Y314 | L234-F316 CarbonylContact C-O 3.51Å; L234-F316 WeakPolarHBondContact CA-O 3.43Å; I235-F316 HydrophobicContact CB-CB 4.29Å; I235-F316 PolarHBondContact N-O 3.44Å; I235-F316 PolarHBondContact O-N 3.45Å; F239-F316 HydrophobicContact CE2-CD2 4.43Å; F239-F316 HydrophobicContact CE2-CE2 4.47Å; F239-F316 HydrophobicContact CZ-CD2 4.43Å; F248-F316 AromaticContact CD2-CZ 3.8Å; F248-F316 HydrophobicContact CD2-CZ 3.8Å; F248-F316 HydrophobicContact CE2-CE1 4.2Å; F248-F316 AromaticContact CE2-CZ 3.81Å; F248-F316 HydrophobicContact CE2-CZ 3.81Å; L251-F316 HydrophobicContact CB-CE1 4.03Å; L251-F316 HydrophobicContact CB-CE2 4.19Å; L251-F316 HydrophobicContact CB-CZ 3.86Å; L251-F316 HydrophobicContact CD1-CD2 4.21Å; L251-F316 HydrophobicContact CD1-CE2 3.65Å; L251-F316 HydrophobicContact CD1-CZ 4.07Å; L290-F316 HydrophobicContact CB-CB 4.1Å; L290-F316 HydrophobicContact CB-CD1 3.94Å; L290-F316 HydrophobicContact CB-CG 4.37Å; L290-F316 HydrophobicContact CD1-CB 4.2Å; L290-F316 HydrophobicContact CD2-CB 4.31Å; L290-F316 HydrophobicContact CG-CB 4.42Å; D291-F316 WeakPolarHBondContact O-CA 3.42Å; Y314-F316 VanDerWaalsContact CB-CE2 3.41Å; Y314-F316 HydrophobicContact CD1-CE2 4.34Å; Y314-F316 HydrophobicContact CD1-CZ 4.36Å; Y314-F316 HydrophobicContact CD2-CE2 4.3Å; Y314-F316 AromaticContact CG-CE2 3.77Å; Y314-F316 HydrophobicContact CG-CE2 3.77Å; Y314-F316 HydrophobicContact CG-CZ 4.24Å |
| 317 | A | 98.2 | Very high | 96.1 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 2% | 0.017 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 157.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V233 L234 L290 D291 P319 L322 Y360 | V233-A317 WeakPolarHBondContact O-CA 3.45Å; L234-A317 HydrophobicContact CD2-CB 3.7Å; L290-A317 CarbonylContact C-O 3.54Å; L290-A317 WeakPolarHBondContact CA-O 3.17Å; D291-A317 PolarHBondContact N-O 2.9Å; D291-A317 PolarHBondContact O-N 3.33Å; A317-P319 WeakPolarHBondContact O-CD 3.48Å; A317-L322 HydrophobicContact CB-CB 4.37Å; A317-L322 HydrophobicContact CB-CD1 4.09Å; A317-Y360 HydrophobicContact CB-CD1 4.36Å; A317-Y360 HydrophobicContact CB-CE1 3.51Å; A317-Y360 HydrophobicContact CB-CE2 4.48Å; A317-Y360 WeakPolarHBondContact CB-OH 3.45Å |
| 318 | T | 97.5 | Very high | 96.2 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.018 | 15% | 0.153 | C | C | . | . | trans | -84.1 | 101.9 | 171.1 | 43.4 | 0 | 0 | 0 | 0 | 111.3 | V233 L290 Q320 S321 L322 | V233-T318 HydrophobicContact CB-CG2 3.83Å; V233-T318 HydrophobicContact CG2-CG2 4.21Å; V233-T318 PolarHBondContact N-OG1 2.97Å; V233-T318 PolarHBondContact O-N 3.34Å; V233-T318 VanDerWaalsContact O-N 3.15Å; V233-T318 PolarHBondContact O-OG1 2.77Å; L290-T318 HydrophobicContact CD2-CG2 4.17Å; T318-Q320 PolarHBondContact O-N 2.77Å; T318-Q320 VanDerWaalsContact O-N 3.08Å; T318-S321 WeakPolarHBondContact CB-OG 3.37Å; T318-S321 PolarHBondContact O-N 2.99Å; T318-S321 PolarHBondContact O-OG 3.11Å; T318-S321 PolarHBondContact OG1-OG 3.31Å; T318-L322 PolarHBondContact O-N 3.05Å | ||
| 319 | P | 95.2 | Very high | 95.9 | Very high | 63 Ų | 63 | 29 Ų | 29 | 41% | 0.409 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -16.5 | -172.4 | 30 | -37 | 0 | 0 | 0 | 113.8 | R289 D291 A317 S321 L322 | R289-P319 WeakPolarHBondContact O-CD 3.17Å; D291-P319 HydrophobicContact CB-CB 4.28Å; D291-P319 HydrophobicContact CB-CG 4.03Å; A317-P319 WeakPolarHBondContact O-CD 3.48Å; P319-S321 VanDerWaalsContact C-N 3.29Å; P319-L322 WeakPolarHBondContact CA-O 3.44Å |
| 320 | Q | 93.8 | Very high | 95.5 | Very high | 34 Ų | 34 | 27.7 Ų | 27.7 | 16% | 0.159 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -23.5 | 172.9 | 62.5 | -84.8 | 13.9 | 0 | 0 | 113.6 | T318 Q368 | T318-Q320 PolarHBondContact O-N 2.77Å; T318-Q320 VanDerWaalsContact O-N 3.08Å; Q320-Q368 WeakPolarHBondContact O-CG 3.25Å |
| 321 | S | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.8 | -16.2 | -176.2 | 48.5 | 0 | 0 | 0 | 0 | 113.6 | P232 T318 P319 I363 | P232-S321 WeakPolarHBondContact CA-OG 3.05Å; T318-S321 WeakPolarHBondContact CB-OG 3.37Å; T318-S321 PolarHBondContact O-N 2.99Å; T318-S321 PolarHBondContact O-OG 3.11Å; T318-S321 PolarHBondContact OG1-OG 3.31Å; P319-S321 VanDerWaalsContact C-N 3.29Å; S321-I363 PolarHBondContact O-N 2.66Å |
| 322 | L | 96.6 | Very high | 95 | Very high | 2 Ų | 2 | 33.8 Ų | 33.8 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 111 | 176.3 | -65.1 | 177.1 | 0 | 0 | 0 | 110.2 | F14 L185 P232 L234 A317 T318 P319 Y360 A361 I362 | F14-L322 HydrophobicContact CE1-CD2 3.77Å; F14-L322 HydrophobicContact CZ-CD1 4.49Å; F14-L322 HydrophobicContact CZ-CD2 4.06Å; L185-L322 HydrophobicContact CD1-CD1 4.48Å; P232-L322 HydrophobicContact CB-CD1 4.19Å; P232-L322 HydrophobicContact CB-CD2 3.83Å; P232-L322 HydrophobicContact CB-CG 3.88Å; L234-L322 HydrophobicContact CD2-CD1 3.83Å; L234-L322 HydrophobicContact CG-CD1 3.84Å; A317-L322 HydrophobicContact CB-CB 4.37Å; A317-L322 HydrophobicContact CB-CD1 4.09Å; T318-L322 PolarHBondContact O-N 3.05Å; P319-L322 WeakPolarHBondContact CA-O 3.44Å; L322-Y360 HydrophobicContact CB-CD1 3.8Å; L322-Y360 HydrophobicContact CB-CE1 4.41Å; L322-Y360 HydrophobicContact CB-CG 4.33Å; L322-A361 WeakPolarHBondContact CA-O 3.4Å; L322-I362 HydrophobicContact CD2-CG1 4.11Å |
| 323 | A | 95.8 | Very high | 94.5 | Very high | 19 Ų | 19 | 37.2 Ų | 37.2 | 16% | 0.157 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 116.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110 | I2 L325 Y360 A361 I363 | I2-A323 HydrophobicContact CD1-CB 4.25Å; A323-L325 PolarHBondContact O-N 2.99Å; A323-Y360 CarbonylContact O-C 3.57Å; A323-Y360 WeakPolarHBondContact O-CA 3.35Å; A323-A361 HydrophobicContact CB-CB 4.32Å; A323-A361 PolarHBondContact N-O 3.08Å; A323-A361 PolarHBondContact O-N 3.28Å; A323-I363 HydrophobicContact CB-CD1 4.14Å; A323-I363 HydrophobicContact CB-CG1 4.19Å |
| 324 | R | 95.4 | Very high | 94.2 | Very high | 102 Ų | 102 | 43.5 Ų | 43.5 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 123.3 | 174.5 | -171.6 | 169.5 | 70.4 | -125.1 | 0.8 | 110 | D291 S292 Y360 | D291-R324 IonicContact OD2-CZ 2.75Å; D291-R324 IonicContact OD2-NH1 2.73Å; D291-R324 PolarHBondContact OD2-NH1 2.89Å; D291-R324 IonicContact OD2-NH2 2.64Å; S292-R324 PolarHBondContact O-NH1 2.93Å; R324-Y360 HydrophobicContact CB-CD1 4.07Å; R324-Y360 HydrophobicContact CB-CE1 3.75Å; R324-Y360 HydrophobicContact CG-CE1 4.14Å |
| 325 | L | 94.7 | Very high | 94.1 | Very high | 79 Ų | 79 | 47.2 Ų | 47.2 | 41% | 0.414 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -33.4 | 178 | -59.3 | -174.2 | 0 | 0 | 0 | 112.2 | T13 A323 Q359 A361 | T13-L325 HydrophobicContact CG2-CD1 3.66Å; A323-L325 PolarHBondContact O-N 2.99Å; L325-Q359 HydrophobicContact CB-CB 4.34Å; L325-Q359 HydrophobicContact CB-CG 4.32Å; L325-Q359 HydrophobicContact CD1-CG 4.22Å; L325-Q359 PolarHBondContact N-O 3.11Å; L325-A361 HydrophobicContact CD1-CB 4.04Å; L325-A361 HydrophobicContact CD2-CB 3.94Å; L325-A361 HydrophobicContact CG-CB 4.09Å |
| 326 | G | 94 | Very high | 93.8 | Very high | 31 Ų | 31 | 47.6 Ų | 47.6 | 32% | 0.32 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | 168.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A358 Q359 | G326-A358 WeakPolarHBondContact O-CA 3.07Å; G326-Q359 PolarHBondContact O-N 3.47Å |
| 327 | I | 95.4 | Very high | 93.5 | Very high | 55 Ų | 55 | 55.1 Ų | 55.1 | 28% | 0.282 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 153.7 | 173.3 | 61.1 | 174.7 | 0 | 0 | 0 | 109.3 | A293 I299 G329 M357 A358 | A293-I327 HydrophobicContact CB-CG2 4.12Å; A293-I327 WeakPolarHBondContact O-CG2 3.45Å; I299-I327 HydrophobicContact CD1-CD1 4.31Å; I327-G329 PolarHBondContact O-N 3.48Å; I327-M357 CarbonylContact C-O 3.4Å; I327-M357 WeakPolarHBondContact CA-O 3.45Å; I327-A358 HydrophobicContact CG2-CB 4.1Å |
| 328 | L | 93.9 | Very high | 93.4 | Very high | 62 Ų | 62 | 59.5 Ų | 59.5 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 130.2 | 165.5 | 179.6 | 67.6 | 0 | 0 | 0 | 108.5 | Y56 M357 | Y56-L328 HydrophobicContact CD1-CD2 4.08Å; Y56-L328 HydrophobicContact CE1-CD1 4.16Å; Y56-L328 HydrophobicContact CE1-CD2 3.33Å; Y56-L328 HydrophobicContact CE1-CG 4.4Å; L328-M357 HydrophobicContact CB-CB 3.85Å; L328-M357 HydrophobicContact CD2-CB 4.24Å; L328-M357 PolarHBondContact N-O 2.97Å |
| 329 | G | 89.8 | Confident | 93.4 | Very high | 47 Ų | 47 | 63.3 Ų | 63.3 | 49% | 0.485 | 35% | 0.35 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 165.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I327 | I327-G329 PolarHBondContact O-N 3.48Š|
| 330 | P | 88.3 | Confident | 93.4 | Very high | 65 Ų | 65 | 68.7 Ų | 68.7 | 42% | 0.422 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 156.8 | 178.9 | 29.1 | -35.3 | 0 | 0 | 0 | 110.9 | S298 D332 | S298-P330 WeakPolarHBondContact O-CB 3.5Å; S298-P330 WeakPolarHBondContact O-CD 3.49Å; S298-P330 WeakPolarHBondContact O-CG 3.41Å; P330-D332 PolarHBondContact O-N 3.47Å |
| 331 | F | 87.6 | Confident | 93.4 | Very high | 55 Ų | 55 | 67.5 Ų | 67.5 | 24% | 0.241 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -58.9 | 135.2 | 167.9 | -160.4 | -85.7 | 0 | 0 | 0 | 109.9 | F301 P333 W335 V336 F344 V349 I354 | F301-F331 HydrophobicContact CE2-CB 4.48Å; F331-P333 WeakPolarHBondContact O-CD 3.49Å; F331-W335 AromaticContact CE1-CE3 3.52Å; F331-W335 HydrophobicContact CE1-CE3 3.52Å; F331-W335 AromaticContact CE1-CZ3 3.61Å; F331-W335 HydrophobicContact CE1-CZ3 3.61Å; F331-W335 AromaticContact CZ-CE3 3.98Å; F331-W335 HydrophobicContact CZ-CE3 3.98Å; F331-W335 AromaticContact CZ-CZ3 3.7Å; F331-W335 HydrophobicContact CZ-CZ3 3.7Å; F331-V336 HydrophobicContact CD1-CG2 3.63Å; F331-V336 HydrophobicContact CE1-CG2 3.66Å; F331-F344 HydrophobicContact CD1-CE2 4.49Å; F331-F344 HydrophobicContact CD1-CZ 4.12Å; F331-F344 HydrophobicContact CE1-CE2 4.38Å; F331-F344 AromaticContact CE1-CZ 3.66Å; F331-F344 HydrophobicContact CE1-CZ 3.66Å; F331-F344 HydrophobicContact CE2-CZ 4.46Å; F331-F344 HydrophobicContact CZ-CE2 4.5Å; F331-F344 AromaticContact CZ-CZ 3.86Å; F331-F344 HydrophobicContact CZ-CZ 3.86Å; F331-V349 HydrophobicContact CE2-CG2 4.23Å; F331-V349 HydrophobicContact CZ-CG2 3.81Å; F331-I354 HydrophobicContact CB-CD1 3.73Å; F331-I354 HydrophobicContact CB-CG2 4.18Å; F331-I354 HydrophobicContact CD2-CD1 4.33Å; F331-I354 HydrophobicContact CD2-CG2 4.08Å; F331-I354 HydrophobicContact CG-CD1 4.09Å |
| 332 | D | 91.3 | Very high | 93.4 | Very high | 80 Ų | 80 | 72.5 Ų | 72.5 | 43% | 0.428 | 39% | 0.388 | S | S | . | . | trans | -61.8 | 108.9 | -171.6 | 178.2 | 8 | 0 | 0 | 0 | 111.4 | P330 Q334 W335 V336 | P330-D332 PolarHBondContact O-N 3.47Å; D332-Q334 PolarHBondContact O-N 2.87Å; D332-Q334 WeakPolarHBondContact OD1-CB 3.35Å; D332-Q334 PolarHBondContact OD1-N 2.86Å; D332-W335 HydrophobicContact CB-CB 4.02Å; D332-W335 PolarHBondContact O-N 3.21Å; D332-W335 PolarHBondContact OD1-N 3.46Å; D332-W335 PolarHBondContact OD2-N 3.17Å; D332-V336 PolarHBondContact O-N 3.44Å | ||
| 333 | P | 88.8 | Confident | 93.4 | Very high | 77 Ų | 77 | 72.5 Ų | 72.5 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.4 | -26.2 | -178.4 | 29.4 | -34.5 | 0 | 0 | 0 | 112 | F331 V336 Q337 | F331-P333 WeakPolarHBondContact O-CD 3.49Å; P333-V336 PolarHBondContact O-N 3.25Å; P333-Q337 WeakPolarHBondContact O-CB 3.42Å; P333-Q337 PolarHBondContact O-N 3.03Å |
| 334 | Q | 92.6 | Very high | 93.5 | Very high | 136 Ų | 136 | 71.6 Ų | 71.6 | 64% | 0.636 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -69.8 | -39.2 | 177.8 | -61 | -175.3 | -2 | 0 | 0 | 110.8 | D332 Q337 S338 | D332-Q334 PolarHBondContact O-N 2.87Å; D332-Q334 WeakPolarHBondContact OD1-CB 3.35Å; D332-Q334 PolarHBondContact OD1-N 2.86Å; Q334-Q337 PolarHBondContact O-N 3.19Å; Q334-S338 VanDerWaalsContact O-CB 3.23Å; Q334-S338 WeakPolarHBondContact O-CB 3.47Å; Q334-S338 PolarHBondContact O-N 3.44Å; Q334-S338 PolarHBondContact O-OG 3.33Å |
| 335 | W | 94.4 | Very high | 93.6 | Very high | 79 Ų | 79 | 66.8 Ų | 66.8 | 30% | 0.299 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.8 | -43.7 | 174.1 | -176.1 | 91.3 | 0 | 0 | 0 | 111.5 | F331 D332 Q337 S338 N339 I341 H348 V349 | F331-W335 AromaticContact CE1-CE3 3.52Å; F331-W335 HydrophobicContact CE1-CE3 3.52Å; F331-W335 AromaticContact CE1-CZ3 3.61Å; F331-W335 HydrophobicContact CE1-CZ3 3.61Å; F331-W335 AromaticContact CZ-CE3 3.98Å; F331-W335 HydrophobicContact CZ-CE3 3.98Å; F331-W335 AromaticContact CZ-CZ3 3.7Å; F331-W335 HydrophobicContact CZ-CZ3 3.7Å; D332-W335 HydrophobicContact CB-CB 4.02Å; D332-W335 PolarHBondContact O-N 3.21Å; D332-W335 PolarHBondContact OD1-N 3.46Å; D332-W335 PolarHBondContact OD2-N 3.17Å; W335-Q337 PolarHBondContact O-N 2.93Å; W335-S338 PolarHBondContact O-N 2.92Å; W335-N339 VanDerWaalsContact CD1-ND2 3.33Å; W335-N339 PolarHBondContact NE1-ND2 3.04Å; W335-N339 WeakPolarHBondContact O-CB 3.3Å; W335-N339 PolarHBondContact O-N 3.34Å; W335-N339 PolarHBondContact O-ND2 3.01Å; W335-I341 HydrophobicContact CE3-CD1 3.72Å; W335-I341 HydrophobicContact CH2-CD1 3.41Å; W335-I341 VanDerWaalsContact CH2-CD1 3.41Å; W335-I341 HydrophobicContact CZ2-CD1 4.33Å; W335-I341 HydrophobicContact CZ3-CD1 3.05Å; W335-H348 HydrophobicContact CH2-CB 4.11Å; W335-H348 HydrophobicContact CZ2-CB 4.33Å; W335-V349 HydrophobicContact CH2-CG2 4.38Å; W335-V349 HydrophobicContact CZ3-CG2 4.39Å |
| 336 | V | 93.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 65.1 Ų | 65.1 | 5% | 0.048 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -58.1 | -47.9 | 175.8 | 174.6 | 0 | 0 | 0 | 0 | 110.8 | Y304 F331 D332 P333 K340 I341 F344 | Y304-V336 HydrophobicContact CE1-CG1 4.2Å; Y304-V336 WeakPolarHBondContact OH-CG1 3.28Å; F331-V336 HydrophobicContact CD1-CG2 3.63Å; F331-V336 HydrophobicContact CE1-CG2 3.66Å; D332-V336 PolarHBondContact O-N 3.44Å; P333-V336 PolarHBondContact O-N 3.25Å; V336-K340 PolarHBondContact O-N 3.12Å; V336-I341 HydrophobicContact CG1-CB 4.16Å; V336-I341 PolarHBondContact O-N 2.97Å; V336-I341 VanDerWaalsContact O-N 3.09Å; V336-F344 HydrophobicContact CG2-CZ 4.24Å |
| 337 | Q | 92.9 | Very high | 93.9 | Very high | 158 Ų | 158 | 64.6 Ų | 64.6 | 74% | 0.738 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.6 | -45.7 | 179.5 | -172.2 | 178.5 | 19.4 | 0 | 0 | 112.3 | P333 Q334 W335 N339 K340 | P333-Q337 WeakPolarHBondContact O-CB 3.42Å; P333-Q337 PolarHBondContact O-N 3.03Å; Q334-Q337 PolarHBondContact O-N 3.19Å; W335-Q337 PolarHBondContact O-N 2.93Å; Q337-N339 VanDerWaalsContact C-N 3.29Å; Q337-N339 PolarHBondContact O-N 3.23Å; Q337-K340 PolarHBondContact O-N 3.1Å; Q337-K340 VanDerWaalsContact O-N 3.1Å |
| 338 | S | 96.1 | Very high | 93.9 | Very high | 94 Ų | 94 | 68.3 Ų | 68.3 | 66% | 0.657 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.1 | -34.1 | -177.1 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | Q334 W335 K340 | Q334-S338 VanDerWaalsContact O-CB 3.23Å; Q334-S338 WeakPolarHBondContact O-CB 3.47Å; Q334-S338 PolarHBondContact O-N 3.44Å; Q334-S338 PolarHBondContact O-OG 3.33Å; W335-S338 PolarHBondContact O-N 2.92Å; S338-K340 VanDerWaalsContact C-N 3.34Å |
| 339 | N | 95.8 | Very high | 94.1 | Very high | 83 Ų | 83 | 65.7 Ų | 65.7 | 44% | 0.444 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 3.3 | 177.1 | -67 | -81.5 | 0 | 0 | 0 | 113.3 | W335 Q337 I341 | W335-N339 VanDerWaalsContact CD1-ND2 3.33Å; W335-N339 PolarHBondContact NE1-ND2 3.04Å; W335-N339 WeakPolarHBondContact O-CB 3.3Å; W335-N339 PolarHBondContact O-N 3.34Å; W335-N339 PolarHBondContact O-ND2 3.01Å; Q337-N339 VanDerWaalsContact C-N 3.29Å; Q337-N339 PolarHBondContact O-N 3.23Å; N339-I341 HydrophobicContact CB-CD1 4Å; N339-I341 HydrophobicContact CB-CG1 3.86Å; N339-I341 PolarHBondContact O-N 2.55Å |
| 340 | K | 95 | Very high | 94.4 | Very high | 176 Ų | 176 | 63.6 Ų | 63.6 | 77% | 0.765 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 39.9 | 179.3 | -57.7 | 176.9 | -178.7 | 177.1 | 0 | 113.1 | V336 Q337 S338 L342 | V336-K340 PolarHBondContact O-N 3.12Å; Q337-K340 PolarHBondContact O-N 3.1Å; Q337-K340 VanDerWaalsContact O-N 3.1Å; S338-K340 VanDerWaalsContact C-N 3.34Å; K340-L342 PolarHBondContact O-N 3.23Å |
| 341 | I | 95.2 | Very high | 94.9 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 5% | 0.051 | 30% | 0.304 | C | S | . | . | trans | -76.4 | 123.2 | -177.6 | -60.8 | 175.8 | 0 | 0 | 0 | 109.3 | Y304 W335 V336 N339 G343 F344 | Y304-I341 HydrophobicContact CE1-CG2 4.49Å; Y304-I341 PolarHBondContact OH-O 2.75Å; W335-I341 HydrophobicContact CE3-CD1 3.72Å; W335-I341 HydrophobicContact CH2-CD1 3.41Å; W335-I341 VanDerWaalsContact CH2-CD1 3.41Å; W335-I341 HydrophobicContact CZ2-CD1 4.33Å; W335-I341 HydrophobicContact CZ3-CD1 3.05Å; V336-I341 HydrophobicContact CG1-CB 4.16Å; V336-I341 PolarHBondContact O-N 2.97Å; V336-I341 VanDerWaalsContact O-N 3.09Å; N339-I341 HydrophobicContact CB-CD1 4Å; N339-I341 HydrophobicContact CB-CG1 3.86Å; N339-I341 PolarHBondContact O-N 2.55Å; I341-G343 WeakPolarHBondContact CG2-O 2.99Å; I341-F344 HydrophobicContact CD1-CE1 4.23Å; I341-F344 HydrophobicContact CG2-CD1 3.93Å; I341-F344 HydrophobicContact CG2-CE1 3.68Å | ||
| 342 | L | 94.4 | Very high | 95.4 | Very high | 105 Ų | 105 | 58.3 Ų | 58.3 | 55% | 0.55 | 30% | 0.295 | S | S | . | . | trans | -84.9 | -30.5 | -177.4 | -60.1 | 177.2 | 0 | 0 | 0 | 113.1 | L306 K309 K340 | L306-L342 HydrophobicContact CD1-CB 4.08Å; K309-L342 PolarHBondContact NZ-O 3.37Å; K340-L342 PolarHBondContact O-N 3.23Å | ||
| 343 | G | 96.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -174.1 | 167.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y34 Y304 I341 | Y34-G343 VanDerWaalsContact CE2-C 3.4Å; Y304-G343 CarbonylContact O-C 3.54Å; I341-G343 WeakPolarHBondContact CG2-O 2.99Å |
| 344 | F | 97.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -110.5 | 152.7 | 170.6 | -60.7 | -36.6 | 0 | 0 | 0 | 109.6 | Y34 Y304 F331 V336 I341 H346 V349 S351 D352 I354 | Y34-F344 PolarHBondContact OH-O 2.91Å; Y304-F344 AromaticContact CD1-CD2 3.98Å; Y304-F344 HydrophobicContact CD1-CD2 3.98Å; Y304-F344 HydrophobicContact CD1-CE2 4.12Å; Y304-F344 HydrophobicContact CD1-CG 4.18Å; Y304-F344 HydrophobicContact CD1-CZ 4.47Å; Y304-F344 HydrophobicContact CG-CD2 4.17Å; Y304-F344 HydrophobicContact CG-CE2 4.25Å; Y304-F344 WeakPolarHBondContact O-CA 3.3Å; Y304-F344 WeakPolarHBondContact O-CB 3.48Å; Y304-F344 PolarHBondContact O-N 3.16Å; F331-F344 HydrophobicContact CD1-CE2 4.49Å; F331-F344 HydrophobicContact CD1-CZ 4.12Å; F331-F344 HydrophobicContact CE1-CE2 4.38Å; F331-F344 AromaticContact CE1-CZ 3.66Å; F331-F344 HydrophobicContact CE1-CZ 3.66Å; F331-F344 HydrophobicContact CE2-CZ 4.46Å; F331-F344 HydrophobicContact CZ-CE2 4.5Å; F331-F344 AromaticContact CZ-CZ 3.86Å; F331-F344 HydrophobicContact CZ-CZ 3.86Å; V336-F344 HydrophobicContact CG2-CZ 4.24Å; I341-F344 HydrophobicContact CD1-CE1 4.23Å; I341-F344 HydrophobicContact CG2-CD1 3.93Å; I341-F344 HydrophobicContact CG2-CE1 3.68Å; F344-H346 HydrophobicContact CD1-CB 3.89Å; F344-H346 HydrophobicContact CE1-CB 4.38Å; F344-V349 HydrophobicContact CB-CG1 4.23Å; F344-V349 HydrophobicContact CD1-CB 3.72Å; F344-V349 HydrophobicContact CD1-CG1 3.86Å; F344-V349 HydrophobicContact CD1-CG2 3.92Å; F344-V349 HydrophobicContact CD2-CG1 3.85Å; F344-V349 HydrophobicContact CE1-CB 3.88Å; F344-V349 HydrophobicContact CE1-CG1 4.11Å; F344-V349 HydrophobicContact CE1-CG2 3.53Å; F344-V349 HydrophobicContact CE2-CG1 4.13Å; F344-V349 HydrophobicContact CG-CB 4.11Å; F344-V349 HydrophobicContact CG-CG1 3.74Å; F344-V349 HydrophobicContact CZ-CB 4.43Å; F344-V349 HydrophobicContact CZ-CG1 4.26Å; F344-V349 HydrophobicContact CZ-CG2 3.93Å; F344-S351 WeakPolarHBondContact CB-O 3.24Å; F344-D352 VanDerWaalsContact O-CB 3.25Å; F344-D352 WeakPolarHBondContact O-CB 3.38Å; F344-I354 HydrophobicContact CD2-CD1 4.36Å; F344-I354 HydrophobicContact CD2-CG1 4.2Å; F344-I354 HydrophobicContact CE2-CD1 3.83Å; F344-I354 HydrophobicContact CE2-CG1 4.03Å |
| 345 | P | 97.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | S | Bend | cis | -65.8 | 160.1 | 2.7 | -17 | 31.8 | 0 | 0 | 0 | 113 | L22 Y32 C35 L40 V349 | L22-P345 HydrophobicContact CD2-CG 3.33Å; Y32-P345 HydrophobicContact CD1-CG 4.41Å; C35-P345 WeakPolarHBondContact CB-O 3.26Å; C35-P345 PolarHBondContact SG-O 2.95Å; C35-P345 VanDerWaalsContact SG-O 3.39Å; L40-P345 HydrophobicContact CD2-CB 4.25Å; L40-P345 HydrophobicContact CD2-CG 3.97Å; P345-V349 CarbonylContact C-O 3.54Å; P345-V349 WeakPolarHBondContact CA-O 3.23Å; P345-V349 WeakPolarHBondContact CB-O 3.38Å |
| 346 | H | 97.6 | Very high | 96.4 | Very high | 45 Ų | 45 | 42 Ų | 42 | 21% | 0.208 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -139.3 | 157.8 | 178.8 | -179 | -92.2 | 0 | 0 | 0 | 108.3 | F344 H348 V349 | F344-H346 HydrophobicContact CD1-CB 3.89Å; F344-H346 HydrophobicContact CE1-CB 4.38Å; H346-H348 AromaticContact CE1-CD2 3.63Å; H346-H348 AromaticContact ND1-CD2 3.81Å; H346-H348 PolarHBondContact ND1-N 2.7Å; H346-H348 PolarHBondContact O-N 3.2Å; H346-V349 HydrophobicContact CB-CB 4.22Å; H346-V349 PolarHBondContact N-O 2.97Å; H346-V349 CarbonylContact O-C 3.59Å; H346-V349 PolarHBondContact O-N 2.87Å |
| 347 | P | 97.4 | Very high | 96.7 | Very high | 19 Ų | 19 | 42.9 Ų | 42.9 | 12% | 0.123 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.3 | -22 | 171.8 | -38 | 38.9 | 0 | 0 | 0 | 117.6 | P36 W38 A39 Y44 | P36-P347 HydrophobicContact CG-CG 4.47Å; W38-P347 HydrophobicContact CH2-CB 3.7Å; W38-P347 HydrophobicContact CH2-CG 3.83Å; W38-P347 HydrophobicContact CZ2-CB 4.31Å; W38-P347 HydrophobicContact CZ2-CG 3.94Å; W38-P347 HydrophobicContact CZ3-CB 4.44Å; A39-P347 HydrophobicContact CB-CG 4.05Å; Y44-P347 PolarHBondContact OH-O 2.79Å |
| 348 | H | 96.1 | Very high | 96.9 | Very high | 133 Ų | 133 | 35.5 Ų | 35.5 | 62% | 0.616 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.6 | -1.2 | 178.6 | -58 | -57.3 | 0 | 0 | 0 | 114.2 | W335 H346 | W335-H348 HydrophobicContact CH2-CB 4.11Å; W335-H348 HydrophobicContact CZ2-CB 4.33Å; H346-H348 AromaticContact CE1-CD2 3.63Å; H346-H348 AromaticContact ND1-CD2 3.81Å; H346-H348 PolarHBondContact ND1-N 2.7Å; H346-H348 PolarHBondContact O-N 3.2Å |
| 349 | V | 96.9 | Very high | 96.9 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -137.2 | 114.5 | -177.6 | -174.6 | 0 | 0 | 0 | 0 | 108.7 | F331 W335 F344 P345 H346 | F331-V349 HydrophobicContact CE2-CG2 4.23Å; F331-V349 HydrophobicContact CZ-CG2 3.81Å; W335-V349 HydrophobicContact CH2-CG2 4.38Å; W335-V349 HydrophobicContact CZ3-CG2 4.39Å; F344-V349 HydrophobicContact CB-CG1 4.23Å; F344-V349 HydrophobicContact CD1-CB 3.72Å; F344-V349 HydrophobicContact CD1-CG1 3.86Å; F344-V349 HydrophobicContact CD1-CG2 3.92Å; F344-V349 HydrophobicContact CD2-CG1 3.85Å; F344-V349 HydrophobicContact CE1-CB 3.88Å; F344-V349 HydrophobicContact CE1-CG1 4.11Å; F344-V349 HydrophobicContact CE1-CG2 3.53Å; F344-V349 HydrophobicContact CE2-CG1 4.13Å; F344-V349 HydrophobicContact CG-CB 4.11Å; F344-V349 HydrophobicContact CG-CG1 3.74Å; F344-V349 HydrophobicContact CZ-CB 4.43Å; F344-V349 HydrophobicContact CZ-CG1 4.26Å; F344-V349 HydrophobicContact CZ-CG2 3.93Å; P345-V349 CarbonylContact C-O 3.54Å; P345-V349 WeakPolarHBondContact CA-O 3.23Å; P345-V349 WeakPolarHBondContact CB-O 3.38Å; H346-V349 HydrophobicContact CB-CB 4.22Å; H346-V349 PolarHBondContact N-O 2.97Å; H346-V349 CarbonylContact O-C 3.59Å; H346-V349 PolarHBondContact O-N 2.87Å |
| 350 | A | 97.3 | Very high | 97 | Very high | 2 Ų | 2 | 31 Ų | 31 | 2% | 0.017 | 15% | 0.149 | C | C | . | . | trans | -91 | -7.6 | -160.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | R45 L48 I49 | R45-A350 HydrophobicContact CB-CB 4.29Å; R45-A350 VanDerWaalsContact CD-O 3.29Å; R45-A350 WeakPolarHBondContact CD-O 3.29Å; R45-A350 PolarHBondContact NH1-O 2.06Å; L48-A350 HydrophobicContact CB-CB 3.57Å; L48-A350 HydrophobicContact CD1-CB 4.19Å; I49-A350 HydrophobicContact CD1-CB 4.42Å; I49-A350 HydrophobicContact CG1-CB 3.67Å | ||
| 351 | S | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -129.6 | 157.7 | 174.6 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | Y19 N20 F344 H353 | Y19-S351 VanDerWaalsContact OH-CB 3.29Å; Y19-S351 WeakPolarHBondContact OH-CB 3.44Å; N20-S351 WeakPolarHBondContact O-CB 3.38Å; N20-S351 PolarHBondContact O-OG 3.44Å; F344-S351 WeakPolarHBondContact CB-O 3.24Å; S351-H353 WeakPolarHBondContact CB-O 3.46Å; S351-H353 PolarHBondContact OG-N 3.46Å; S351-H353 VanDerWaalsContact OG-N 3.09Å |
| 352 | D | 98.1 | Very high | 97.1 | Very high | 9 Ų | 9 | 22.9 Ų | 22.9 | 5% | 0.048 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -74.6 | -13.5 | 165.7 | 58.3 | -31.8 | 0 | 0 | 0 | 113.2 | Y32 N303 Y304 T305 F344 | Y32-D352 HydrophobicContact CE1-CB 3.74Å; Y32-D352 PolarHBondContact OH-OD2 2.71Å; N303-D352 WeakPolarHBondContact CA-O 3.34Å; N303-D352 PolarHBondContact ND2-OD2 2.74Å; Y304-D352 PolarHBondContact N-O 3.45Å; T305-D352 HydrophobicContact CG2-CB 3.79Å; F344-D352 VanDerWaalsContact O-CB 3.25Å; F344-D352 WeakPolarHBondContact O-CB 3.38Å |
| 353 | H | 98.3 | Very high | 97.1 | Very high | 6 Ų | 6 | 19.8 Ų | 19.8 | 3% | 0.028 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -94.3 | 154.8 | 169 | -66.7 | -113.5 | 0 | 0 | 0 | 112.2 | Y19 N20 D238 T302 N303 D313 S351 | Y19-H353 WeakPolarHBondContact CE2-O 3.4Å; N20-H353 HydrophobicContact CB-CB 4.01Å; D238-H353 IonicContact OD2-CE1 3.72Å; D238-H353 PolarHBondContact OD2-CE1 3.12Å; D238-H353 IonicContact OD2-NE2 3.83Å; T302-H353 CarbonylContact O-C 3.57Å; T302-H353 WeakPolarHBondContact O-CA 2.96Å; N303-H353 PolarHBondContact ND2-CD2 2.62Å; N303-H353 PolarHBondContact ND2-NE2 3.29Å; D313-H353 IonicContact OD1-CE1 3.62Å; D313-H353 IonicContact OD1-ND1 3.52Å; D313-H353 PolarHBondContact OD1-ND1 3.35Å; D313-H353 IonicContact OD2-CE1 3.9Å; D313-H353 IonicContact OD2-CG 3.26Å; D313-H353 IonicContact OD2-ND1 3.18Å; D313-H353 PolarHBondContact OD2-ND1 2.83Å; S351-H353 WeakPolarHBondContact CB-O 3.46Å; S351-H353 PolarHBondContact OG-N 3.46Å; S351-H353 VanDerWaalsContact OG-N 3.09Å |
| 354 | I | 96.5 | Very high | 96.9 | Very high | 15 Ų | 15 | 20.7 Ų | 20.7 | 8% | 0.077 | 11% | 0.105 | C | C | . | . | trans | -109 | 127.7 | 176.6 | -56.9 | 175.1 | 0 | 0 | 0 | 107.2 | F301 T302 F331 F344 I356 | F301-I354 HydrophobicContact CD2-CD1 3.44Å; F301-I354 VanDerWaalsContact CD2-CD1 3.44Å; F301-I354 HydrophobicContact CE2-CD1 3.37Å; T302-I354 PolarHBondContact O-N 3.18Å; F331-I354 HydrophobicContact CB-CD1 3.73Å; F331-I354 HydrophobicContact CB-CG2 4.18Å; F331-I354 HydrophobicContact CD2-CD1 4.33Å; F331-I354 HydrophobicContact CD2-CG2 4.08Å; F331-I354 HydrophobicContact CG-CD1 4.09Å; F344-I354 HydrophobicContact CD2-CD1 4.36Å; F344-I354 HydrophobicContact CD2-CG1 4.2Å; F344-I354 HydrophobicContact CE2-CD1 3.83Å; F344-I354 HydrophobicContact CE2-CG1 4.03Å; I354-I356 PolarHBondContact O-N 3.11Å | ||
| 355 | P | 96.8 | Very high | 96.5 | Very high | 6 Ų | 6 | 22.2 Ų | 22.2 | 4% | 0.039 | 11% | 0.114 | C | C | . | . | trans | -61.2 | 133.5 | 177.8 | 22.6 | -31.2 | 0 | 0 | 0 | 111.1 | L17 Y19 E52 Y56 | L17-P355 HydrophobicContact CD1-CB 3.78Å; Y19-P355 HydrophobicContact CD1-CB 4.34Å; Y19-P355 HydrophobicContact CD2-CB 3.98Å; Y19-P355 HydrophobicContact CD2-CG 4.47Å; Y19-P355 HydrophobicContact CE2-CB 4.48Å; Y19-P355 HydrophobicContact CE2-CG 4.49Å; Y19-P355 HydrophobicContact CG-CB 3.91Å; E52-P355 HydrophobicContact CG-CG 4.19Å; E52-P355 WeakPolarHBondContact OE1-CG 3.33Å; Y56-P355 HydrophobicContact CE2-CB 3.88Å; Y56-P355 HydrophobicContact CE2-CG 3.5Å; Y56-P355 WeakPolarHBondContact OH-CG 3.2Å | ||
| 356 | I | 97.5 | Very high | 96 | Very high | 4 Ų | 4 | 25.7 Ų | 25.7 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 142.5 | 171 | 58.9 | 175.3 | 0 | 0 | 0 | 109.5 | C18 I299 T302 D313 I315 I354 | C18-I356 HydrophobicContact CB-CD1 4.21Å; C18-I356 HydrophobicContact CB-CG1 3.79Å; C18-I356 PolarHBondContact N-O 3.35Å; C18-I356 PolarHBondContact O-N 3.14Å; I299-I356 HydrophobicContact CD1-CG2 4.27Å; T302-I356 HydrophobicContact CG2-CG2 3.66Å; D313-I356 HydrophobicContact CB-CD1 4Å; D313-I356 WeakPolarHBondContact O-CD1 3.05Å; I315-I356 HydrophobicContact CD1-CB 4.38Å; I315-I356 HydrophobicContact CD1-CD1 4.1Å; I315-I356 HydrophobicContact CD1-CG1 3.85Å; I315-I356 HydrophobicContact CG1-CD1 3.85Å; I315-I356 HydrophobicContact CG1-CG1 4.08Å; I354-I356 PolarHBondContact O-N 3.11Å |
| 357 | M | 97.6 | Very high | 95.4 | Very high | 26 Ų | 26 | 28 Ų | 28 | 13% | 0.128 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 144 | -176.9 | -176.8 | -176.3 | 178.9 | 0 | 0 | 110.9 | T15 V16 L17 Y56 A58 I327 L328 | T15-M357 HydrophobicContact CG2-CE 3.69Å; V16-M357 CarbonylContact O-C 3.59Å; V16-M357 WeakPolarHBondContact O-CA 3.36Å; V16-M357 VanDerWaalsContact O-CG 3.28Å; V16-M357 WeakPolarHBondContact O-CG 2.9Å; L17-M357 HydrophobicContact CD1-CB 3.96Å; L17-M357 HydrophobicContact CD1-CG 4.43Å; Y56-M357 HydrophobicContact CD1-SD 4.05Å; Y56-M357 HydrophobicContact CG-SD 4.21Å; Y56-M357 WeakPolarHBondContact O-CE 3.19Å; A58-M357 HydrophobicContact CB-CE 3.86Å; I327-M357 CarbonylContact C-O 3.4Å; I327-M357 WeakPolarHBondContact CA-O 3.45Å; L328-M357 HydrophobicContact CB-CB 3.85Å; L328-M357 HydrophobicContact CD2-CB 4.24Å; L328-M357 PolarHBondContact N-O 2.97Å |
| 358 | A | 97.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 27.9 Ų | 27.9 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 149.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | T15 V16 A293 I315 G326 I327 Y360 | T15-A358 CarbonylContact C-O 3.59Å; T15-A358 WeakPolarHBondContact CA-O 3.1Å; V16-A358 HydrophobicContact CG1-CB 4.28Å; V16-A358 PolarHBondContact N-O 3.01Å; V16-A358 PolarHBondContact O-N 2.86Å; A293-A358 HydrophobicContact CB-CB 3.84Å; I315-A358 HydrophobicContact CD1-CB 4.3Å; G326-A358 WeakPolarHBondContact O-CA 3.07Å; I327-A358 HydrophobicContact CG2-CB 4.1Å; A358-Y360 HydrophobicContact CB-CD2 4.3Å; A358-Y360 HydrophobicContact CB-CE2 3.56Å |
| 359 | Q | 97.6 | Very high | 93.8 | Very high | 78 Ų | 78 | 32 Ų | 32 | 36% | 0.364 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 134.4 | 171.6 | -170 | -178.9 | 42.7 | 0 | 0 | 109.8 | T15 L325 G326 | T15-Q359 HydrophobicContact CG2-CB 3.98Å; T15-Q359 HydrophobicContact CG2-CG 3.87Å; L325-Q359 HydrophobicContact CB-CB 4.34Å; L325-Q359 HydrophobicContact CB-CG 4.32Å; L325-Q359 HydrophobicContact CD1-CG 4.22Å; L325-Q359 PolarHBondContact N-O 3.11Å; G326-Q359 PolarHBondContact O-N 3.47Å |
| 360 | Y | 97.6 | Very high | 92 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.012 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 144.2 | 178.7 | -67.6 | -85.4 | 0 | 0 | 0 | 111.7 | T13 F14 V16 L234 A293 I315 A317 L322 A323 R324 A358 | T13-Y360 VanDerWaalsContact CA-O 3.24Å; T13-Y360 WeakPolarHBondContact CA-O 3.34Å; F14-Y360 PolarHBondContact N-O 2.8Å; F14-Y360 PolarHBondContact O-N 3.48Å; V16-Y360 HydrophobicContact CG1-CD2 4.01Å; V16-Y360 HydrophobicContact CG1-CE2 3.7Å; L234-Y360 HydrophobicContact CD2-CD2 4.29Å; L234-Y360 HydrophobicContact CD2-CE2 3.87Å; A293-Y360 WeakPolarHBondContact CB-OH 3.38Å; I315-Y360 HydrophobicContact CG2-CE2 4.19Å; A317-Y360 HydrophobicContact CB-CD1 4.36Å; A317-Y360 HydrophobicContact CB-CE1 3.51Å; A317-Y360 HydrophobicContact CB-CE2 4.48Å; A317-Y360 WeakPolarHBondContact CB-OH 3.45Å; L322-Y360 HydrophobicContact CB-CD1 3.8Å; L322-Y360 HydrophobicContact CB-CE1 4.41Å; L322-Y360 HydrophobicContact CB-CG 4.33Å; A323-Y360 CarbonylContact O-C 3.57Å; A323-Y360 WeakPolarHBondContact O-CA 3.35Å; R324-Y360 HydrophobicContact CB-CD1 4.07Å; R324-Y360 HydrophobicContact CB-CE1 3.75Å; R324-Y360 HydrophobicContact CG-CE1 4.14Å; A358-Y360 HydrophobicContact CB-CD2 4.3Å; A358-Y360 HydrophobicContact CB-CE2 3.56Å |
| 361 | A | 96 | Very high | 89.9 | Confident | 8 Ų | 8 | 44 Ų | 44 | 7% | 0.066 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 132.8 | 159.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | I11 A12 T13 L322 A323 L325 | I11-A361 HydrophobicContact CG2-CB 3.52Å; A12-A361 CarbonylContact O-C 3.55Å; A12-A361 VanDerWaalsContact O-CA 3.32Å; A12-A361 WeakPolarHBondContact O-CA 3.48Å; T13-A361 HydrophobicContact CG2-CB 4.31Å; L322-A361 WeakPolarHBondContact CA-O 3.4Å; A323-A361 HydrophobicContact CB-CB 4.32Å; A323-A361 PolarHBondContact N-O 3.08Å; A323-A361 PolarHBondContact O-N 3.28Å; L325-A361 HydrophobicContact CD1-CB 4.04Å; L325-A361 HydrophobicContact CD2-CB 3.94Å; L325-A361 HydrophobicContact CG-CB 4.09Å |
| 362 | I | 95.8 | Very high | 87.3 | Confident | 9 Ų | 9 | 49.4 Ų | 49.4 | 5% | 0.046 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 121.8 | 175 | -57.4 | 161.7 | 0 | 0 | 0 | 108 | A12 F14 I159 V180 P232 L322 P364 | A12-I362 HydrophobicContact CB-CB 4.16Å; A12-I362 HydrophobicContact CB-CD1 4.19Å; A12-I362 PolarHBondContact O-N 2.89Å; F14-I362 HydrophobicContact CD1-CD1 3.83Å; F14-I362 HydrophobicContact CD1-CG1 3.77Å; F14-I362 HydrophobicContact CE1-CD1 4.02Å; F14-I362 HydrophobicContact CE1-CG1 3.62Å; I159-I362 HydrophobicContact CD1-CD1 3.86Å; I159-I362 HydrophobicContact CD1-CG2 4.37Å; I159-I362 HydrophobicContact CG1-CD1 4.31Å; I159-I362 HydrophobicContact CG2-CD1 4.42Å; V180-I362 HydrophobicContact CB-CG2 4.11Å; V180-I362 HydrophobicContact CG1-CG2 3.94Å; V180-I362 HydrophobicContact CG2-CB 4.4Å; V180-I362 HydrophobicContact CG2-CD1 4.27Å; V180-I362 HydrophobicContact CG2-CG2 4.21Å; P232-I362 HydrophobicContact CG-CG2 4.42Å; L322-I362 HydrophobicContact CD2-CG1 4.11Å; I362-P364 WeakPolarHBondContact O-CD 3.11Å |
| 363 | I | 94.1 | Very high | 84.5 | Confident | 39 Ų | 39 | 57 Ų | 57 | 20% | 0.2 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 119.5 | 177.4 | -55.8 | 171.4 | 0 | 0 | 0 | 107.6 | S321 A323 H367 Q368 | S321-I363 PolarHBondContact O-N 2.66Å; A323-I363 HydrophobicContact CB-CD1 4.14Å; A323-I363 HydrophobicContact CB-CG1 4.19Å; I363-H367 HydrophobicContact CG2-CB 4.05Å; I363-Q368 HydrophobicContact CB-CG 4.06Å; I363-Q368 HydrophobicContact CG2-CG 3.7Å; I363-Q368 PolarHBondContact O-NE2 2.8Å |
| 364 | P | 92.2 | Very high | 81.7 | Confident | 21 Ų | 21 | 65 Ų | 65 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 144.3 | 179 | -21.8 | 32.4 | 0 | 0 | 0 | 111.8 | N177 D178 V180 I362 T366 H367 Q368 | N177-P364 VanDerWaalsContact O-CB 3.25Å; N177-P364 WeakPolarHBondContact O-CB 3.45Å; D178-P364 WeakPolarHBondContact O-CG 3.31Å; V180-P364 HydrophobicContact CG1-CB 3.97Å; V180-P364 HydrophobicContact CG1-CG 3.89Å; I362-P364 WeakPolarHBondContact O-CD 3.11Å; P364-T366 PolarHBondContact O-N 3.44Å; P364-H367 PolarHBondContact O-N 3.13Å; P364-Q368 WeakPolarHBondContact O-CG 3.22Å; P364-Q368 PolarHBondContact O-N 3.45Å |
| 365 | T | 89.6 | Confident | 78.6 | Confident | 31 Ų | 31 | 73 Ų | 73 | 19% | 0.19 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -27.3 | -171 | 51.9 | 0 | 0 | 0 | 0 | 114 | Q230 | Q230-T365 HydrophobicContact CB-CG2 4.24Å; Q230-T365 PolarHBondContact NE2-O 2.84Å |
| 366 | T | 86.5 | Confident | 75.7 | Confident | 75 Ų | 75 | 78.1 Ų | 78.1 | 46% | 0.46 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -23.1 | 176.1 | 62.1 | 0 | 0 | 0 | 0 | 113.9 | N177 P364 | N177-T366 HydrophobicContact CB-CG2 4.09Å; N177-T366 PolarHBondContact O-OG1 3.15Å; P364-T366 PolarHBondContact O-N 3.44Å |
| 367 | H | 86.4 | Confident | 72.5 | Confident | 93 Ų | 93 | 80.9 Ų | 80.9 | 43% | 0.431 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | -9.4 | -179.8 | -63.5 | -55.9 | 0 | 0 | 0 | 113.3 | D178 I363 P364 R369 | D178-H367 IonicContact OD1-CD2 3.31Å; D178-H367 IonicContact OD1-CE1 3.7Å; D178-H367 IonicContact OD1-NE2 2.63Å; D178-H367 PolarHBondContact OD1-NE2 2.84Å; I363-H367 HydrophobicContact CG2-CB 4.05Å; P364-H367 PolarHBondContact O-N 3.13Å; H367-R369 PolarHBondContact O-N 3.08Å |
| 368 | Q | 85.3 | Confident | 69.4 | Low | 17 Ų | 17 | 85.8 Ų | 85.8 | 8% | 0.079 | 47% | 0.465 | C | S | . | . | S | Bend | trans | -65.7 | 130.2 | 175.1 | -64.9 | 172.5 | -3.1 | 0 | 0 | 108.9 | Q230 Q320 I363 P364 Q370 | Q230-Q368 VanDerWaalsContact CG-OE1 3.28Å; Q230-Q368 PolarHBondContact O-NE2 3.32Å; Q230-Q368 PolarHBondContact O-OE1 3.48Å; Q320-Q368 WeakPolarHBondContact O-CG 3.25Å; I363-Q368 HydrophobicContact CB-CG 4.06Å; I363-Q368 HydrophobicContact CG2-CG 3.7Å; I363-Q368 PolarHBondContact O-NE2 2.8Å; P364-Q368 WeakPolarHBondContact O-CG 3.22Å; P364-Q368 PolarHBondContact O-N 3.45Å; Q368-Q370 PolarHBondContact O-N 2.69Å |
| 369 | R | 73.3 | Confident | 66.4 | Low | 219 Ų | 219 | 90.7 Ų | 90.7 | 83% | 0.826 | 51% | 0.506 | S | S | * | . | trans | -62.2 | 112.6 | -176.9 | -76.9 | -174.9 | -106.2 | 175 | -1.1 | 109.8 | H367 | H367-R369 PolarHBondContact O-N 3.08Š| ||
| 370 | Q | 59 | Low | 63.3 | Low | 184 Ų | 184 | 91.8 Ų | 91.8 | 86% | 0.86 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 134.3 | 165.6 | -68.7 | -173.8 | 0.9 | 0 | 0 | 108.7 | Q368 | Q368-Q370 PolarHBondContact O-N 2.69Š|
| 371 | Q | 54.4 | Low | 60 | Low | 78 Ų | 78 | 95 Ų | 95 | 36% | 0.364 | 56% | 0.561 | S | S | . | * | P | Polyproline II helix | trans | -90.9 | 145.3 | 176.3 | -67.3 | 173.1 | 23.7 | 0 | 0 | 110.1 | R289 L373 | R289-Q371 VanDerWaalsContact NH1-OE1 3.12Å; Q371-L373 PolarHBondContact O-N 3.27Å |
| 372 | P | 43.2 | Very low | 56.8 | Low | 113 Ų | 113 | 101.5 Ų | 101.5 | 73% | 0.734 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 136.4 | 161.1 | -13.2 | 26.4 | 0 | 0 | 0 | 108.5 | Q374 | P372-Q374 PolarHBondContact O-N 3.15Å; P372-Q374 VanDerWaalsContact O-N 3.09Å |
| 373 | L | 40.1 | Very low | 53.7 | Low | 168 Ų | 168 | 109 Ų | 109 | 88% | 0.88 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 119.9 | 164.1 | -74.5 | 155.1 | 0 | 0 | 0 | 107.4 | Q371 Q375 | Q371-L373 PolarHBondContact O-N 3.27Å; L373-Q375 VanDerWaalsContact C-N 3.33Å; L373-Q375 PolarHBondContact O-N 2.86Å |
| 374 | Q | 40 | Very low | 50.7 | Low | 174 Ų | 174 | 110.6 Ų | 110.6 | 81% | 0.813 | 67% | 0.665 | S | S | * | * | trans | -61.9 | 98.1 | 175.6 | -86.9 | 175.2 | -24.4 | 0 | 0 | 108.3 | P372 | P372-Q374 PolarHBondContact O-N 3.15Å; P372-Q374 VanDerWaalsContact O-N 3.09Å | ||
| 375 | Q | 30.6 | Very low | 47.6 | Very low | 183 Ų | 183 | 112.8 Ų | 112.8 | 86% | 0.855 | 69% | 0.691 | S | S | * | * | trans | -68.7 | 125.8 | 157.2 | -72.8 | -174.2 | -1.7 | 0 | 0 | 106.8 | L373 G377 | L373-Q375 VanDerWaalsContact C-N 3.33Å; L373-Q375 PolarHBondContact O-N 2.86Å; Q375-G377 PolarHBondContact O-N 3.46Å | ||
| 376 | A | 36.7 | Very low | 44.5 | Very low | 115 Ų | 115 | 115.2 Ų | 115.2 | 95% | 0.95 | 72% | 0.722 | S | S | * | * | trans | -58.7 | 107.6 | 173 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 377 | G | 30.2 | Very low | 41.9 | Very low | 61 Ų | 61 | 121.3 Ų | 121.3 | 63% | 0.629 | 74% | 0.743 | S | S | * | * | trans | -130.4 | 151.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110 | Q375 | Q375-G377 PolarHBondContact O-N 3.46Š| ||
| 378 | P | 31 | Very low | 39.2 | Very low | 130 Ų | 130 | 122.3 Ų | 122.3 | 84% | 0.844 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -71 | 149.9 | -158.3 | 29.6 | -33.9 | 0 | 0 | 0 | 112.7 | A380 | P378-A380 PolarHBondContact O-N 3.05Š|
| 379 | A | 35.3 | Very low | 36.6 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 88% | 0.876 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 117.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 380 | A | 31.6 | Very low | 34.7 | Very low | 101 Ų | 101 | 122.8 Ų | 122.8 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76 | 136.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | P378 | P378-A380 PolarHBondContact O-N 3.05Š|
| 381 | G | 28.3 | Very low | 33.4 | Very low | 69 Ų | 69 | 120 Ų | 120 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63 | 146.9 | -164.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | I383 | G381-I383 PolarHBondContact O-N 3.49Š|
| 382 | V | 30.1 | Very low | 32.8 | Very low | 145 Ų | 145 | 122.4 Ų | 122.4 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | trans | -60.5 | 115.4 | 168.7 | 178.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 383 | I | 29.4 | Very low | 32.2 | Very low | 167 Ų | 167 | 120.8 Ų | 120.8 | 86% | 0.856 | 82% | 0.819 | S | S | * | * | trans | -102.1 | 110.1 | 161.8 | -51.9 | 180 | 0 | 0 | 0 | 106.3 | G381 G385 | G381-I383 PolarHBondContact O-N 3.49Å; I383-G385 PolarHBondContact O-N 3.48Å | ||
| 384 | G | 32.2 | Very low | 31.7 | Very low | 73 Ų | 73 | 117.5 Ų | 117.5 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | trans | -68.1 | 125.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 385 | G | 25.8 | Very low | 31.4 | Very low | 67 Ų | 67 | 116.8 Ų | 116.8 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | trans | -123.9 | 108.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | I383 | I383-G385 PolarHBondContact O-N 3.48Š| ||
| 386 | G | 26 | Very low | 31.5 | Very low | 82 Ų | 82 | 113.5 Ų | 113.5 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 133.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 387 | F | 30.8 | Very low | 31.3 | Very low | 202 Ų | 202 | 116.7 Ų | 116.7 | 89% | 0.886 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 138.5 | 167.1 | -79.3 | -87.1 | 0 | 0 | 0 | 109.8 | ||
| 388 | P | 29.4 | Very low | 31.8 | Very low | 115 Ų | 115 | 117.4 Ų | 117.4 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 138 | 174.4 | 26.1 | -26.4 | 0 | 0 | 0 | 110.7 | T390 | P388-T390 PolarHBondContact O-N 3.32Š|
| 389 | S | 31.1 | Very low | 32.3 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 123.9 | 175.9 | 49.3 | 0 | 0 | 0 | 0 | 111.9 | ||
| 390 | T | 33.2 | Very low | 32.6 | Very low | 125 Ų | 125 | 118.9 Ų | 118.9 | 77% | 0.767 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -78 | 152.2 | 169 | 44.2 | 0 | 0 | 0 | 0 | 112 | P388 | P388-T390 PolarHBondContact O-N 3.32Š|
| 391 | P | 32.3 | Very low | 32.6 | Very low | 126 Ų | 126 | 119.8 Ų | 119.8 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 141.4 | -175.7 | -10.3 | 26.6 | 0 | 0 | 0 | 112.2 | G393 | P391-G393 PolarHBondContact O-N 3.28Š|
| 392 | S | 41.3 | Very low | 32.8 | Very low | 128 Ų | 128 | 122.4 Ų | 122.4 | 90% | 0.895 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -60.1 | 116.4 | 177.5 | 52.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 393 | G | 31 | Very low | 33 | Very low | 80 Ų | 80 | 121.2 Ų | 121.2 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | trans | -162 | 1.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | P391 | P391-G393 PolarHBondContact O-N 3.28Š| ||
| 394 | A | 30.6 | Very low | 33.2 | Very low | 98 Ų | 98 | 118.5 Ų | 118.5 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -98.7 | 129.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 395 | Q | 31.7 | Very low | 33.3 | Very low | 160 Ų | 160 | 121.3 Ų | 121.3 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | trans | -61.4 | 147.6 | 174.2 | -71.9 | -175 | -12 | 0 | 0 | 110.8 | F397 | Q395-F397 PolarHBondContact O-N 2.78Š| ||
| 396 | P | 34.7 | Very low | 33.8 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -72.7 | 3.3 | -172.2 | -14.4 | 30.2 | 0 | 0 | 0 | 115.8 | L398 | P396-L398 PolarHBondContact O-N 3.05Š|
| 397 | F | 32.3 | Very low | 34.3 | Very low | 182 Ų | 182 | 128 Ų | 128 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -89.4 | 6.8 | -170.2 | -77.8 | -79.3 | 0 | 0 | 0 | 115.4 | Q395 | Q395-F397 PolarHBondContact O-N 2.78Š|
| 398 | L | 39.1 | Very low | 34.6 | Very low | 76 Ų | 76 | 122.3 Ų | 122.3 | 40% | 0.398 | 73% | 0.733 | S | S | . | * | G | 310 helix | trans | -128.2 | 22.5 | -177.2 | -68.6 | 165 | 0 | 0 | 0 | 113.1 | P196 F308 P396 C400 | P196-L398 HydrophobicContact CB-CD2 4.38Å; P196-L398 HydrophobicContact CG-CD2 4.19Å; F308-L398 HydrophobicContact CD2-CD1 4.15Å; F308-L398 HydrophobicContact CD2-CD2 4.46Å; P396-L398 PolarHBondContact O-N 3.05Å; L398-C400 WeakPolarHBondContact CA-OXT 3.32Å |
| 399 | R | 43.2 | Very low | 35 | Very low | 218 Ų | 218 | 122.9 Ų | 122.9 | 82% | 0.823 | 73% | 0.732 | S | S | * | * | trans | -105 | 38.8 | 169.9 | -76 | -169.3 | 173.5 | -161.6 | -2.9 | 111.8 | ||||
| 400 | C | 39.7 | Very low | 35.4 | Very low | 48 Ų | 48 | 123.2 Ų | 123.2 | 32% | 0.324 | 72% | 0.722 | S | S | . | * | -134.5 | 0 | 106.1 | -85.7 | 0 | 0 | 0 | 0 | 105.1 | P196 C199 L398 | P196-C400 CarbonylContact C-O 3.56Å; P196-C400 WeakPolarHBondContact CA-O 3.15Å; P196-C400 WeakPolarHBondContact CB-OXT 3.42Å; P196-C400 CarbonylContact O-C 3.01Å; P196-C400 WeakPolarHBondContact O-CB 3.44Å; C199-C400 HydrophobicContact CB-CB 3.5Å; C199-C400 VanDerWaalsContact CB-CB 3.5Å; C199-C400 WeakPolarHBondContact CB-SG 3.27Å; C199-C400 WeakPolarHBondContact SG-CB 3.28Å; C199-C400 CovalentContact SG-SG 2.06Å; C199-C400 PolarHBondContact SG-SG 3.36Å; L398-C400 WeakPolarHBondContact CA-OXT 3.32Å |
Retrieved 400 of 400 residues in 267.9 ms
(Link to these results)