| 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 | 44.9 | Very low | 77.3 | Confident | 231 Ų | 231 | 86.6 Ų | 86.6 | 100% | 1.138 | 46% | 0.461 | S | S | * | . | 0 | 111.9 | 0 | -147.8 | 169.8 | 178.5 | 0 | 0 | 106.1 | M3 | M1-M3 PolarHBondContact O-N 2.94Š| |||
| 2 | M | 49 | Very low | 79.1 | Confident | 192 Ų | 192 | 79.4 Ų | 79.4 | 95% | 0.946 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 117 | 174.1 | -76.7 | -175.7 | 175.7 | 0 | 0 | 107 | L4 | M2-L4 PolarHBondContact O-N 2.9Š|
| 3 | M | 54 | Low | 80.6 | Confident | 148 Ų | 148 | 73.4 Ų | 73.4 | 73% | 0.729 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -67 | 125.6 | 169.2 | -66.1 | -154.9 | -62.3 | 0 | 0 | 107 | M1 N5 | M1-M3 PolarHBondContact O-N 2.94Å; M3-N5 PolarHBondContact O-N 3.19Å |
| 4 | L | 63.5 | Low | 81.9 | Confident | 70 Ų | 70 | 68.1 Ų | 68.1 | 37% | 0.366 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -57 | 139.2 | 170.8 | -72.5 | 167.3 | 0 | 0 | 0 | 108.3 | M2 H375 | M2-L4 PolarHBondContact O-N 2.9Å; L4-H375 HydrophobicContact CB-CB 4.32Å; L4-H375 WeakPolarHBondContact CB-CD2 3.39Å; L4-H375 HydrophobicContact CD1-CB 4.13Å |
| 5 | N | 75 | Confident | 83 | Confident | 144 Ų | 144 | 63.6 Ų | 63.6 | 77% | 0.77 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 134.5 | 175.3 | -73.8 | -18.1 | 0 | 0 | 0 | 109 | M3 | M3-N5 PolarHBondContact O-N 3.19Š|
| 6 | P | 84 | Confident | 84 | Confident | 60 Ų | 60 | 59.6 Ų | 59.6 | 39% | 0.39 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 144.4 | 175.1 | -24.3 | 33.3 | 0 | 0 | 0 | 111.6 | E372 F373 V374 | P6-E372 HydrophobicContact CB-CB 4.11Å; P6-E372 HydrophobicContact CB-CG 4.09Å; P6-F373 CarbonylContact C-O 3.48Å; P6-F373 VanDerWaalsContact CA-O 3.27Å; P6-F373 WeakPolarHBondContact CA-O 3.4Å; P6-V374 HydrophobicContact CB-CG2 4.37Å; P6-V374 HydrophobicContact CG-CG2 4.34Å |
| 7 | I | 90.1 | Very high | 84.8 | Confident | 32 Ų | 32 | 56.5 Ų | 56.5 | 16% | 0.164 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 114.4 | 175.5 | -61.1 | 174 | 0 | 0 | 0 | 107.9 | V135 F373 H375 | I7-V135 HydrophobicContact CB-CG1 4.22Å; I7-V135 HydrophobicContact CD1-CG1 3.71Å; I7-V135 HydrophobicContact CG2-CG1 3.86Å; I7-F373 HydrophobicContact CB-CB 4.47Å; I7-F373 PolarHBondContact N-O 3.17Å; I7-F373 PolarHBondContact O-N 3.49Å; I7-H375 VanDerWaalsContact CD1-CE1 3.47Å; I7-H375 WeakPolarHBondContact CD1-CE1 3.42Å |
| 8 | A | 94.5 | Very high | 85.5 | Confident | 48 Ų | 48 | 53.4 Ų | 53.4 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 136.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | F371 | A8-F371 CarbonylContact C-O 3.53Å; A8-F371 VanDerWaalsContact CA-O 3.29Å; A8-F371 WeakPolarHBondContact CA-O 3.44Å |
| 9 | F | 97.5 | Very high | 86.1 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 159.6 | 171.8 | 71.7 | -83.1 | 0 | 0 | 0 | 111.1 | D56 I57 F105 I151 I194 L334 E370 F371 F373 | F9-D56 WeakPolarHBondContact CA-OD2 3.24Å; F9-D56 HydrophobicContact CB-CB 4.15Å; F9-I57 HydrophobicContact CD2-CD1 4.2Å; F9-I57 HydrophobicContact CE2-CD1 4.1Å; F9-F105 HydrophobicContact CB-CE2 4.37Å; F9-F105 HydrophobicContact CB-CZ 3.84Å; F9-F105 HydrophobicContact CD1-CZ 4.31Å; F9-F105 AromaticContact CD2-CZ 3.75Å; F9-F105 HydrophobicContact CD2-CZ 3.75Å; F9-F105 HydrophobicContact CE2-CZ 4.4Å; F9-F105 AromaticContact CG-CZ 3.7Å; F9-F105 HydrophobicContact CG-CZ 3.7Å; F9-I151 HydrophobicContact CE1-CD1 4.25Å; F9-I151 HydrophobicContact CE2-CD1 4.31Å; F9-I151 HydrophobicContact CZ-CD1 3.5Å; F9-I194 HydrophobicContact CE2-CD1 4Å; F9-I194 HydrophobicContact CZ-CD1 3.91Å; F9-L334 HydrophobicContact CE1-CD1 3.89Å; F9-L334 HydrophobicContact CZ-CD1 3.89Å; F9-E370 CarbonylContact O-C 3.46Å; F9-E370 WeakPolarHBondContact O-CA 3.31Å; F9-F371 HydrophobicContact CD1-CB 4.21Å; F9-F371 HydrophobicContact CE1-CB 3.65Å; F9-F371 HydrophobicContact CE2-CB 4.14Å; F9-F371 HydrophobicContact CE2-CD2 4.14Å; F9-F371 HydrophobicContact CE2-CG 4.42Å; F9-F371 HydrophobicContact CZ-CB 3.6Å; F9-F371 HydrophobicContact CZ-CD2 4.28Å; F9-F371 HydrophobicContact CZ-CG 4.1Å; F9-F371 PolarHBondContact N-O 3.46Å; F9-F371 PolarHBondContact O-N 3.02Å; F9-F373 HydrophobicContact CE1-CB 4.23Å |
| 10 | T | 98.7 | Very high | 86.6 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 17% | 0.166 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 147.7 | 177.2 | 49 | 0 | 0 | 0 | 0 | 111.7 | A55 D56 I57 A369 E370 | T10-A55 WeakPolarHBondContact OG1-CA 3.16Å; T10-D56 PolarHBondContact N-OD2 3.16Å; T10-D56 WeakPolarHBondContact O-CB 3.47Å; T10-D56 PolarHBondContact O-N 3.39Å; T10-D56 VanDerWaalsContact O-N 3.13Å; T10-D56 PolarHBondContact OG1-N 2.74Å; T10-D56 PolarHBondContact OG1-OD2 3.33Å; T10-I57 PolarHBondContact O-N 3.48Å; T10-A369 CarbonylContact C-O 3.59Å; T10-A369 VanDerWaalsContact CA-O 3.23Å; T10-A369 WeakPolarHBondContact CA-O 3.5Å; T10-E370 HydrophobicContact CG2-CB 4.02Å; T10-E370 HydrophobicContact CG2-CG 4.18Å |
| 11 | L | 98.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 131.5 | 171.6 | -174.4 | 150.7 | 0 | 0 | 0 | 109.8 | I57 V153 I194 M311 L368 A369 F371 | L11-I57 CarbonylContact C-O 3.53Å; L11-I57 VanDerWaalsContact CA-O 3.29Å; L11-I57 WeakPolarHBondContact CA-O 3.24Å; L11-I57 HydrophobicContact CB-CB 4.3Å; L11-I57 HydrophobicContact CD1-CB 4.06Å; L11-I57 HydrophobicContact CD1-CD1 4.4Å; L11-I57 HydrophobicContact CD1-CG2 3.79Å; L11-I57 HydrophobicContact CG-CB 4.04Å; L11-I57 HydrophobicContact CG-CG2 4.03Å; L11-V153 HydrophobicContact CD1-CG1 3.73Å; L11-V153 HydrophobicContact CD1-CG2 4.13Å; L11-I194 HydrophobicContact CD1-CB 4.31Å; L11-I194 HydrophobicContact CD1-CD1 3.99Å; L11-I194 HydrophobicContact CD1-CG2 3.92Å; L11-I194 HydrophobicContact CD2-CG2 4.35Å; L11-M311 HydrophobicContact CD2-CE 3.41Å; L11-M311 VanDerWaalsContact CD2-CE 3.41Å; L11-M311 HydrophobicContact CD2-SD 3.94Å; L11-L368 WeakPolarHBondContact O-CA 3.49Å; L11-A369 PolarHBondContact N-O 3.32Å; L11-A369 PolarHBondContact O-N 3.21Å; L11-F371 HydrophobicContact CB-CD2 4.38Å; L11-F371 HydrophobicContact CB-CE2 4.05Å |
| 12 | C | 98.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 127.3 | 175.4 | -176.6 | 0 | 0 | 0 | 0 | 110.2 | A55 I57 F58 C59 L367 L368 | C12-A55 HydrophobicContact CB-CB 3.55Å; C12-I57 PolarHBondContact N-O 3.02Å; C12-F58 HydrophobicContact CB-CD1 3.58Å; C12-F58 HydrophobicContact CB-CE1 3.72Å; C12-F58 HydrophobicContact CB-CG 4.32Å; C12-F58 CarbonylContact O-C 3.57Å; C12-F58 WeakPolarHBondContact O-CA 3.41Å; C12-C59 PolarHBondContact O-N 2.65Å; C12-L367 CarbonylContact C-O 3.49Å; C12-L367 VanDerWaalsContact CA-O 3.27Å; C12-L367 WeakPolarHBondContact CA-O 3.43Å; C12-L368 HydrophobicContact CB-CD1 3.87Å |
| 13 | S | 98.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 128.5 | 166.7 | -173.5 | 0 | 0 | 0 | 0 | 109.2 | C59 Q61 G197 L367 | S13-C59 CarbonylContact C-O 3.49Å; S13-C59 WeakPolarHBondContact CA-O 3.31Å; S13-Q61 PolarHBondContact OG-NE2 3.34Å; S13-G197 WeakPolarHBondContact OG-CA 3.19Å; S13-G197 PolarHBondContact OG-N 3.48Å; S13-L367 PolarHBondContact N-O 2.86Å; S13-L367 PolarHBondContact O-N 2.98Å |
| 14 | Y | 98.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 116.7 | -174.9 | -170 | -170.9 | 0 | 0 | 0 | 112.3 | V16 L46 E49 F50 C59 L60 Q61 S362 H364 P366 | Y14-V16 HydrophobicContact CD1-CG1 4.17Å; Y14-V16 HydrophobicContact CG-CG1 4.24Å; Y14-V16 PolarHBondContact O-N 2.81Å; Y14-L46 HydrophobicContact CE1-CD2 3.89Å; Y14-E49 WeakPolarHBondContact CE1-OE2 3.37Å; Y14-E49 PolarHBondContact OH-OE1 2.84Å; Y14-E49 PolarHBondContact OH-OE2 2.89Å; Y14-F50 AromaticContact CD1-CE1 3.84Å; Y14-F50 HydrophobicContact CD1-CE1 3.84Å; Y14-F50 HydrophobicContact CE1-CE1 4.19Å; Y14-C59 PolarHBondContact N-O 2.81Å; Y14-L60 VanDerWaalsContact O-CA 3.26Å; Y14-L60 WeakPolarHBondContact O-CA 3.27Å; Y14-Q61 PolarHBondContact O-N 2.84Å; Y14-Q61 PolarHBondContact O-OE1 2.92Å; Y14-S362 VanDerWaalsContact CE2-CB 3.49Å; Y14-S362 VanDerWaalsContact OH-CB 3.27Å; Y14-S362 WeakPolarHBondContact OH-CB 3.43Å; Y14-H364 HydrophobicContact CE2-CB 4.39Å; Y14-H364 VanDerWaalsContact CE2-O 3.31Å; Y14-H364 WeakPolarHBondContact CE2-O 3.4Å; Y14-P366 HydrophobicContact CD1-CB 4.05Å; Y14-P366 HydrophobicContact CD2-CB 4.27Å; Y14-P366 HydrophobicContact CE1-CB 4.47Å; Y14-P366 HydrophobicContact CG-CB 3.95Å |
| 15 | N | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 115.8 | 166.3 | -176 | -17.8 | 0 | 0 | 0 | 108.7 | L17 Q61 E62 D198 S362 H364 | N15-L17 PolarHBondContact OD1-N 3.07Å; N15-Q61 HydrophobicContact CB-CB 4.1Å; N15-E62 PolarHBondContact ND2-OE1 2.95Å; N15-E62 VanDerWaalsContact ND2-OE1 3.1Å; N15-E62 VanDerWaalsContact OD1-CB 3.31Å; N15-E62 WeakPolarHBondContact OD1-CB 3.49Å; N15-E62 WeakPolarHBondContact OD1-CG 3.19Å; N15-D198 PolarHBondContact ND2-OD2 3.2Å; N15-S362 WeakPolarHBondContact O-CB 3.19Å; N15-S362 PolarHBondContact O-OG 2.88Å; N15-H364 HydrophobicContact CB-CB 3.97Å; N15-H364 PolarHBondContact ND2-NE2 2.76Å |
| 16 | V | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -93.8 | 5.6 | -172.9 | -59.8 | 0 | 0 | 0 | 0 | 113.5 | Y14 R42 L46 F50 L60 Q61 V63 Y72 | Y14-V16 HydrophobicContact CD1-CG1 4.17Å; Y14-V16 HydrophobicContact CG-CG1 4.24Å; Y14-V16 PolarHBondContact O-N 2.81Å; V16-R42 PolarHBondContact O-NH2 2.85Å; V16-L46 HydrophobicContact CB-CD1 4.25Å; V16-L46 HydrophobicContact CB-CD2 4.3Å; V16-L46 HydrophobicContact CG1-CD2 4.33Å; V16-F50 HydrophobicContact CG1-CE1 4.21Å; V16-F50 HydrophobicContact CG1-CZ 3.84Å; V16-L60 HydrophobicContact CG1-CB 4.32Å; V16-L60 HydrophobicContact CG1-CD1 4.37Å; V16-L60 HydrophobicContact CG1-CD2 4.05Å; V16-L60 HydrophobicContact CG1-CG 4.48Å; V16-Q61 VanDerWaalsContact CG2-O 3.23Å; V16-Q61 WeakPolarHBondContact CG2-O 3.29Å; V16-Q61 PolarHBondContact N-O 2.85Å; V16-V63 HydrophobicContact CG2-CG2 3.83Å; V16-Y72 HydrophobicContact CG2-CE1 4.12Å; V16-Y72 WeakPolarHBondContact CG2-OH 3.37Å | ||
| 17 | L | 97.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | trans | 53.9 | 105.1 | 178.1 | 173.5 | 69.4 | 0 | 0 | 0 | 113.6 | N15 Q19 M22 Y29 R42 P356 D363 | N15-L17 PolarHBondContact OD1-N 3.07Å; L17-Q19 PolarHBondContact O-N 3Å; L17-M22 HydrophobicContact CD1-CB 4.09Å; L17-M22 HydrophobicContact CD2-CB 4.11Å; L17-M22 HydrophobicContact CD2-CG 3.87Å; L17-M22 HydrophobicContact CD2-SD 3.76Å; L17-M22 HydrophobicContact CG-CB 4.06Å; L17-M22 HydrophobicContact CG-CG 4.38Å; L17-Y29 VanDerWaalsContact CD1-OH 3.29Å; L17-Y29 WeakPolarHBondContact CD1-OH 3.42Å; L17-Y29 HydrophobicContact CD2-CE1 4.05Å; L17-R42 VanDerWaalsContact CB-NH2 3.32Å; L17-R42 VanDerWaalsContact O-CZ 3.31Å; L17-R42 PolarHBondContact O-NH1 2.93Å; L17-R42 PolarHBondContact O-NH2 3.2Å; L17-P356 HydrophobicContact CD2-CG 4.32Å; L17-D363 WeakPolarHBondContact CB-OD1 3.19Å; L17-D363 HydrophobicContact CD2-CB 4.41Å | ||
| 18 | C | 97.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | trans | -62.7 | 131.4 | -178.5 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | D20 T21 M22 E62 Q64 D94 | C18-D20 PolarHBondContact O-N 3.17Å; C18-T21 PolarHBondContact O-N 3.23Å; C18-M22 WeakPolarHBondContact O-CB 3.14Å; C18-M22 PolarHBondContact O-N 3.16Å; C18-E62 WeakPolarHBondContact CA-O 3.34Å; C18-E62 HydrophobicContact CB-CB 4.02Å; C18-E62 WeakPolarHBondContact CB-O 3.41Å; C18-E62 PolarHBondContact N-O 3.15Å; C18-E62 PolarHBondContact N-OE2 3.31Å; C18-Q64 PolarHBondContact SG-OE1 2.8Å; C18-D94 HydrophobicContact CB-CB 3.7Å | ||
| 19 | Q | 97.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 2% | 0.023 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -58.9 | -48.3 | -178.8 | -175.2 | 69 | 21.6 | 0 | 0 | 111.8 | L17 T21 M22 E23 I37 W39 Q64 | L17-Q19 PolarHBondContact O-N 3Å; Q19-T21 VanDerWaalsContact C-N 3.28Å; Q19-T21 PolarHBondContact O-N 3.03Å; Q19-M22 VanDerWaalsContact NE2-CE 3.26Å; Q19-M22 PolarHBondContact O-N 2.73Å; Q19-E23 HydrophobicContact CG-CG 4.41Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.31Å; Q19-E23 PolarHBondContact NE2-OE1 2.88Å; Q19-E23 WeakPolarHBondContact O-CG 3.21Å; Q19-E23 PolarHBondContact O-N 3.03Å; Q19-I37 PolarHBondContact NE2-O 2.93Å; Q19-W39 HydrophobicContact CB-CE3 4.29Å; Q19-W39 HydrophobicContact CG-CB 4.05Å; Q19-Q64 VanDerWaalsContact CB-OE1 3.32Å; Q19-Q64 VanDerWaalsContact N-OE1 3.14Å |
| 20 | D | 96.5 | Very high | 95.6 | Very high | 49 Ų | 49 | 43.7 Ų | 43.7 | 26% | 0.262 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.1 | -38.1 | 177.6 | -79.1 | 24.8 | 0 | 0 | 0 | 112.4 | C18 R24 Q64 A93 | C18-D20 PolarHBondContact O-N 3.17Å; D20-R24 WeakPolarHBondContact O-CD 3.15Å; D20-R24 WeakPolarHBondContact O-CG 3.47Å; D20-R24 PolarHBondContact O-N 3.46Å; D20-Q64 PolarHBondContact OD1-NE2 2.87Å; D20-Q64 PolarHBondContact OD1-OE1 3.43Å; D20-A93 HydrophobicContact CB-CB 3.84Å |
| 21 | T | 93.2 | Very high | 95.3 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 31% | 0.313 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.8 | -45.4 | 177.7 | -61.9 | 0 | 0 | 0 | 0 | 110.6 | C18 Q19 R24 T25 | C18-T21 PolarHBondContact O-N 3.23Å; Q19-T21 VanDerWaalsContact C-N 3.28Å; Q19-T21 PolarHBondContact O-N 3.03Å; T21-R24 PolarHBondContact O-N 3.4Å; T21-T25 PolarHBondContact O-N 3.3Å; T21-T25 VanDerWaalsContact O-N 3.11Å; T21-T25 PolarHBondContact O-OG1 2.72Å |
| 22 | M | 94.3 | Very high | 95 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 177.4 | -174.4 | -166.9 | 73.2 | 0 | 0 | 111.5 | L17 C18 Q19 R24 T25 M26 Y29 I37 P356 | L17-M22 HydrophobicContact CD1-CB 4.09Å; L17-M22 HydrophobicContact CD2-CB 4.11Å; L17-M22 HydrophobicContact CD2-CG 3.87Å; L17-M22 HydrophobicContact CD2-SD 3.76Å; L17-M22 HydrophobicContact CG-CB 4.06Å; L17-M22 HydrophobicContact CG-CG 4.38Å; C18-M22 WeakPolarHBondContact O-CB 3.14Å; C18-M22 PolarHBondContact O-N 3.16Å; Q19-M22 VanDerWaalsContact NE2-CE 3.26Å; Q19-M22 PolarHBondContact O-N 2.73Å; M22-R24 VanDerWaalsContact C-N 3.32Å; M22-R24 PolarHBondContact O-N 3.43Å; M22-T25 CarbonylContact O-C 3.15Å; M22-T25 WeakPolarHBondContact O-CA 3.25Å; M22-T25 PolarHBondContact O-N 3.15Å; M22-T25 PolarHBondContact O-OG1 3.4Å; M22-M26 WeakPolarHBondContact O-CA 3.4Å; M22-M26 PolarHBondContact O-N 3.47Å; M22-Y29 HydrophobicContact CB-CE2 4.24Å; M22-Y29 HydrophobicContact CG-CD2 3.74Å; M22-Y29 HydrophobicContact CG-CE1 4.35Å; M22-Y29 HydrophobicContact CG-CE2 3.39Å; M22-Y29 HydrophobicContact CG-CG 4.37Å; M22-I37 HydrophobicContact CE-CB 3.91Å; M22-I37 HydrophobicContact CE-CG1 4.34Å; M22-I37 WeakPolarHBondContact CE-O 3.16Å; M22-I37 HydrophobicContact SD-CB 4.11Å; M22-P356 HydrophobicContact SD-CG 4.15Å |
| 23 | E | 94.4 | Very high | 94.7 | Very high | 105 Ų | 105 | 54.4 Ų | 54.4 | 49% | 0.491 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.2 | -36.7 | 178.3 | -74 | 176.7 | -174.6 | 0 | 0 | 112.3 | Q19 T25 | Q19-E23 HydrophobicContact CG-CG 4.41Å; Q19-E23 WeakPolarHBondContact CG-OE1 3.31Å; Q19-E23 PolarHBondContact NE2-OE1 2.88Å; Q19-E23 WeakPolarHBondContact O-CG 3.21Å; Q19-E23 PolarHBondContact O-N 3.03Å; E23-T25 PolarHBondContact O-N 2.83Å |
| 24 | R | 92.9 | Very high | 94.2 | Very high | 197 Ų | 197 | 60.7 Ų | 60.7 | 74% | 0.743 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -69.2 | -22 | 172.9 | -69.9 | 169.9 | -165 | -87.5 | -0.9 | 113.2 | D20 T21 M22 | D20-R24 WeakPolarHBondContact O-CD 3.15Å; D20-R24 WeakPolarHBondContact O-CG 3.47Å; D20-R24 PolarHBondContact O-N 3.46Å; T21-R24 PolarHBondContact O-N 3.4Å; M22-R24 VanDerWaalsContact C-N 3.32Å; M22-R24 PolarHBondContact O-N 3.43Å |
| 25 | T | 91.5 | Very high | 93.9 | Very high | 33 Ų | 33 | 64.4 Ų | 64.4 | 20% | 0.202 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 24.5 | -178.2 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | T21 M22 E23 Y27 L28 | T21-T25 PolarHBondContact O-N 3.3Å; T21-T25 VanDerWaalsContact O-N 3.11Å; T21-T25 PolarHBondContact O-OG1 2.72Å; M22-T25 CarbonylContact O-C 3.15Å; M22-T25 WeakPolarHBondContact O-CA 3.25Å; M22-T25 PolarHBondContact O-N 3.15Å; M22-T25 PolarHBondContact O-OG1 3.4Å; E23-T25 PolarHBondContact O-N 2.83Å; T25-Y27 HydrophobicContact CG2-CE1 4.47Å; T25-Y27 PolarHBondContact O-N 3.35Å; T25-L28 VanDerWaalsContact O-CB 3.31Å; T25-L28 WeakPolarHBondContact O-CB 3.5Å; T25-L28 WeakPolarHBondContact O-CG 3.29Å; T25-L28 PolarHBondContact O-N 2.74Å |
| 26 | M | 90.9 | Very high | 93.5 | Very high | 79 Ų | 79 | 65.8 Ų | 65.8 | 39% | 0.389 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -54.1 | -28.5 | -172.9 | -162.8 | -175 | -163.5 | 0 | 0 | 113.9 | M22 L28 Y29 E34 I37 | M22-M26 WeakPolarHBondContact O-CA 3.4Å; M22-M26 PolarHBondContact O-N 3.47Å; M26-L28 PolarHBondContact O-N 3.11Å; M26-L28 VanDerWaalsContact O-N 3.17Å; M26-Y29 PolarHBondContact O-N 3.22Å; M26-E34 HydrophobicContact CE-CG 3.97Å; M26-I37 HydrophobicContact CE-CD1 3.85Å; M26-I37 HydrophobicContact CG-CD1 4.32Å |
| 27 | Y | 91.7 | Very high | 93.3 | Very high | 165 Ų | 165 | 66 Ų | 66 | 65% | 0.647 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -59.2 | -23.9 | 175.7 | 67.8 | -89.7 | 0 | 0 | 0 | 113.7 | T25 Y29 H30 | T25-Y27 HydrophobicContact CG2-CE1 4.47Å; T25-Y27 PolarHBondContact O-N 3.35Å; Y27-Y29 VanDerWaalsContact C-N 3.3Å; Y27-H30 PolarHBondContact O-ND1 3.19Å |
| 28 | L | 92.5 | Very high | 93.2 | Very high | 49 Ų | 49 | 69.6 Ų | 69.6 | 26% | 0.257 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -71.4 | -25.3 | 174.3 | -64.2 | 179.8 | 0 | 0 | 0 | 112.6 | T25 M26 I301 | T25-L28 VanDerWaalsContact O-CB 3.31Å; T25-L28 WeakPolarHBondContact O-CB 3.5Å; T25-L28 WeakPolarHBondContact O-CG 3.29Å; T25-L28 PolarHBondContact O-N 2.74Å; M26-L28 PolarHBondContact O-N 3.11Å; M26-L28 VanDerWaalsContact O-N 3.17Å; L28-I301 HydrophobicContact CB-CG2 3.7Å; L28-I301 HydrophobicContact CD1-CG2 4.38Å; L28-I301 HydrophobicContact CG-CG2 4.46Å |
| 29 | Y | 93.6 | Very high | 93.2 | Very high | 9 Ų | 9 | 71.1 Ų | 71.1 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -104.6 | 23 | -173 | -52 | -82.7 | 0 | 0 | 0 | 113 | L17 M22 M26 Y27 L31 C32 I301 D363 | L17-Y29 VanDerWaalsContact CD1-OH 3.29Å; L17-Y29 WeakPolarHBondContact CD1-OH 3.42Å; L17-Y29 HydrophobicContact CD2-CE1 4.05Å; M22-Y29 HydrophobicContact CB-CE2 4.24Å; M22-Y29 HydrophobicContact CG-CD2 3.74Å; M22-Y29 HydrophobicContact CG-CE1 4.35Å; M22-Y29 HydrophobicContact CG-CE2 3.39Å; M22-Y29 HydrophobicContact CG-CG 4.37Å; M26-Y29 PolarHBondContact O-N 3.22Å; Y27-Y29 VanDerWaalsContact C-N 3.3Å; Y29-L31 PolarHBondContact O-N 2.58Å; Y29-L31 VanDerWaalsContact O-N 3.13Å; Y29-C32 VanDerWaalsContact O-CB 3.31Å; Y29-C32 WeakPolarHBondContact O-CB 3.5Å; Y29-C32 PolarHBondContact O-N 2.86Å; Y29-I301 HydrophobicContact CE1-CG2 4.38Å; Y29-D363 HydrophobicContact CE1-CB 4.19Å; Y29-D363 PolarHBondContact OH-OD2 2.91Å |
| 30 | H | 91.5 | Very high | 93.1 | Very high | 137 Ų | 137 | 74.4 Ų | 74.4 | 63% | 0.634 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -16.5 | -178.5 | 64.6 | -85.8 | 0 | 0 | 0 | 114.4 | Y27 | Y27-H30 PolarHBondContact O-ND1 3.19Š|
| 31 | L | 92.7 | Very high | 93.1 | Very high | 66 Ų | 66 | 78 Ų | 78 | 35% | 0.346 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -9.3 | 173.6 | -60.4 | 177.9 | 0 | 0 | 0 | 113 | Y29 I303 Y354 | Y29-L31 PolarHBondContact O-N 2.58Å; Y29-L31 VanDerWaalsContact O-N 3.13Å; L31-I303 HydrophobicContact CD1-CG2 4.35Å; L31-Y354 HydrophobicContact CB-CD1 4.06Å; L31-Y354 HydrophobicContact CB-CD2 3.82Å; L31-Y354 HydrophobicContact CB-CE1 4.3Å; L31-Y354 HydrophobicContact CB-CE2 4.08Å; L31-Y354 HydrophobicContact CB-CG 3.82Å; L31-Y354 HydrophobicContact CD1-CD1 3.99Å; L31-Y354 HydrophobicContact CD1-CE1 3.53Å; L31-Y354 HydrophobicContact CD1-CE2 4.29Å |
| 32 | C | 93.7 | Very high | 93.3 | Very high | 18 Ų | 18 | 75.6 Ų | 75.6 | 12% | 0.122 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -86.8 | 156.3 | 176.6 | -56 | 0 | 0 | 0 | 0 | 110.4 | Y29 E34 I37 L355 | Y29-C32 VanDerWaalsContact O-CB 3.31Å; Y29-C32 WeakPolarHBondContact O-CB 3.5Å; Y29-C32 PolarHBondContact O-N 2.86Å; C32-E34 PolarHBondContact O-N 2.82Å; C32-I37 HydrophobicContact CB-CG2 3.58Å; C32-L355 VanDerWaalsContact SG-C 3.52Å; C32-L355 PolarHBondContact SG-O 3.25Å |
| 33 | R | 91.5 | Very high | 93.5 | Very high | 168 Ų | 168 | 77.2 Ų | 77.2 | 63% | 0.634 | 36% | 0.363 | S | S | * | . | trans | -76.1 | 125.1 | 171.7 | -70.2 | 168.5 | 176.7 | 173.6 | 2.8 | 109.2 | S35 E36 I37 | R33-S35 PolarHBondContact O-N 3.27Å; R33-S35 VanDerWaalsContact O-N 3.08Å; R33-E36 HydrophobicContact CB-CB 4.22Å; R33-E36 HydrophobicContact CB-CG 3.94Å; R33-E36 VanDerWaalsContact CD-CD 3.47Å; R33-E36 WeakPolarHBondContact CD-OE1 3.43Å; R33-E36 IonicContact CZ-OE1 2.73Å; R33-E36 IonicContact NE-OE1 3.22Å; R33-E36 IonicContact NH1-OE1 3.63Å; R33-E36 PolarHBondContact NH1-OE1 2.83Å; R33-E36 PolarHBondContact O-N 3.3Å; R33-I37 PolarHBondContact O-N 3.47Å | ||
| 34 | E | 89.2 | Confident | 93.7 | Very high | 133 Ų | 133 | 77.4 Ų | 77.4 | 62% | 0.621 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -32.8 | -177.5 | -173.9 | 177.3 | -175.6 | 0 | 0 | 113.5 | M26 C32 I37 Q38 | M26-E34 HydrophobicContact CE-CG 3.97Å; C32-E34 PolarHBondContact O-N 2.82Å; E34-I37 VanDerWaalsContact O-CG1 3.31Å; E34-I37 WeakPolarHBondContact O-CG1 3.33Å; E34-Q38 WeakPolarHBondContact O-CG 3.23Å; E34-Q38 PolarHBondContact O-NE2 3.25Å; E34-Q38 VanDerWaalsContact O-NE2 3.14Å |
| 35 | S | 92.1 | Very high | 93.9 | Very high | 78 Ų | 78 | 68.2 Ų | 68.2 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -29.6 | 176.6 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | R33 K41 | R33-S35 PolarHBondContact O-N 3.27Å; R33-S35 VanDerWaalsContact O-N 3.08Å; S35-K41 VanDerWaalsContact O-CG 3.24Å; S35-K41 WeakPolarHBondContact O-CG 3.45Å |
| 36 | E | 91.1 | Very high | 94.2 | Very high | 29 Ų | 29 | 66.6 Ų | 66.6 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -27.3 | -177.4 | -66 | 177.3 | 179.5 | 0 | 0 | 111.6 | R33 Q38 R42 N357 A358 | R33-E36 HydrophobicContact CB-CB 4.22Å; R33-E36 HydrophobicContact CB-CG 3.94Å; R33-E36 VanDerWaalsContact CD-CD 3.47Å; R33-E36 WeakPolarHBondContact CD-OE1 3.43Å; R33-E36 IonicContact CZ-OE1 2.73Å; R33-E36 IonicContact NE-OE1 3.22Å; R33-E36 IonicContact NH1-OE1 3.63Å; R33-E36 PolarHBondContact NH1-OE1 2.83Å; R33-E36 PolarHBondContact O-N 3.3Å; E36-Q38 VanDerWaalsContact C-N 3.3Å; E36-Q38 PolarHBondContact O-N 2.82Å; E36-R42 WeakPolarHBondContact O-CG 3.26Å; E36-N357 WeakPolarHBondContact OE2-CA 3.48Å; E36-N357 WeakPolarHBondContact OE2-CB 3.32Å; E36-A358 HydrophobicContact CG-CB 4.4Å; E36-A358 PolarHBondContact OE2-N 2.79Å |
| 37 | I | 93.2 | Very high | 94.6 | Very high | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.026 | 31% | 0.306 | C | S | . | . | S | Bend | trans | -82.9 | -3.5 | 176.1 | 73.4 | 175.3 | 0 | 0 | 0 | 113.2 | Q19 M22 M26 C32 R33 E34 R42 P356 | Q19-I37 PolarHBondContact NE2-O 2.93Å; M22-I37 HydrophobicContact CE-CB 3.91Å; M22-I37 HydrophobicContact CE-CG1 4.34Å; M22-I37 WeakPolarHBondContact CE-O 3.16Å; M22-I37 HydrophobicContact SD-CB 4.11Å; M26-I37 HydrophobicContact CE-CD1 3.85Å; M26-I37 HydrophobicContact CG-CD1 4.32Å; C32-I37 HydrophobicContact CB-CG2 3.58Å; R33-I37 PolarHBondContact O-N 3.47Å; E34-I37 VanDerWaalsContact O-CG1 3.31Å; E34-I37 WeakPolarHBondContact O-CG1 3.33Å; I37-R42 WeakPolarHBondContact O-CD 3.32Å; I37-P356 HydrophobicContact CB-CG 4.48Å; I37-P356 HydrophobicContact CG2-CG 3.93Å |
| 38 | Q | 95.4 | Very high | 94.9 | Very high | 82 Ų | 82 | 60.8 Ų | 60.8 | 38% | 0.383 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -68.6 | 140.5 | 173.5 | -61.7 | -56.3 | -51.2 | 0 | 0 | 110.8 | E34 E36 A40 K41 R42 | E34-Q38 WeakPolarHBondContact O-CG 3.23Å; E34-Q38 PolarHBondContact O-NE2 3.25Å; E34-Q38 VanDerWaalsContact O-NE2 3.14Å; E36-Q38 VanDerWaalsContact C-N 3.3Å; E36-Q38 PolarHBondContact O-N 2.82Å; Q38-A40 VanDerWaalsContact C-N 3.27Å; Q38-A40 PolarHBondContact O-N 2.78Å; Q38-A40 VanDerWaalsContact O-N 3.09Å; Q38-K41 PolarHBondContact O-N 2.73Å; Q38-R42 PolarHBondContact O-N 2.83Å |
| 39 | W | 96.9 | Very high | 95.1 | Very high | 32 Ų | 32 | 59.7 Ų | 59.7 | 12% | 0.121 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -47.7 | -45.4 | -176.7 | 173.8 | -119.3 | 0 | 0 | 0 | 113.7 | Q19 K41 R42 W43 L46 Q67 Y71 Y72 | Q19-W39 HydrophobicContact CB-CE3 4.29Å; Q19-W39 HydrophobicContact CG-CB 4.05Å; W39-K41 VanDerWaalsContact C-N 3.26Å; W39-K41 PolarHBondContact O-N 3.18Å; W39-R42 PolarHBondContact O-N 2.78Å; W39-W43 HydrophobicContact CD2-CB 4.19Å; W39-W43 HydrophobicContact CE3-CB 4.41Å; W39-W43 HydrophobicContact CH2-CB 4.03Å; W39-W43 HydrophobicContact CH2-CD2 4.25Å; W39-W43 AromaticContact CH2-CE3 3.6Å; W39-W43 HydrophobicContact CH2-CE3 3.6Å; W39-W43 HydrophobicContact CH2-CG 4.45Å; W39-W43 HydrophobicContact CH2-CZ3 4.45Å; W39-W43 HydrophobicContact CZ2-CB 3.79Å; W39-W43 HydrophobicContact CZ2-CD2 4.02Å; W39-W43 AromaticContact CZ2-CE3 3.75Å; W39-W43 HydrophobicContact CZ2-CE3 3.75Å; W39-W43 HydrophobicContact CZ2-CG 4.04Å; W39-W43 HydrophobicContact CZ3-CB 4.33Å; W39-W43 VanDerWaalsContact O-CB 3.22Å; W39-W43 WeakPolarHBondContact O-CB 3.38Å; W39-W43 PolarHBondContact O-N 2.89Å; W39-L46 HydrophobicContact CZ3-CD1 4.35Å; W39-Q67 HydrophobicContact CH2-CB 4.45Å; W39-Q67 HydrophobicContact CH2-CG 4.49Å; W39-Q67 HydrophobicContact CZ2-CB 4.01Å; W39-Q67 VanDerWaalsContact CZ2-CD 3.45Å; W39-Q67 HydrophobicContact CZ2-CG 3.89Å; W39-Q67 VanDerWaalsContact CZ2-OE1 3.22Å; W39-Y71 HydrophobicContact CZ2-CD1 4.22Å; W39-Y71 AromaticContact CZ2-CD2 3.98Å; W39-Y71 HydrophobicContact CZ2-CD2 3.98Å; W39-Y71 HydrophobicContact CZ2-CE2 4.42Å; W39-Y71 AromaticContact CZ2-CG 3.88Å; W39-Y71 HydrophobicContact CZ2-CG 3.88Å; W39-Y71 AromaticContact NE1-CD2 3.91Å; W39-Y71 AromaticContact NE1-CE1 3.81Å; W39-Y71 AromaticContact NE1-CE2 3.46Å; W39-Y71 AromaticContact NE1-CZ 3.39Å; W39-Y72 AromaticContact CH2-CE2 3.8Å; W39-Y72 HydrophobicContact CH2-CE2 3.8Å; W39-Y72 AromaticContact CH2-CZ 3.94Å; W39-Y72 HydrophobicContact CZ2-CE2 4.4Å |
| 40 | A | 96.4 | Very high | 95.3 | Very high | 74 Ų | 74 | 59.3 Ų | 59.3 | 61% | 0.612 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.9 | -34.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q38 H44 | Q38-A40 VanDerWaalsContact C-N 3.27Å; Q38-A40 PolarHBondContact O-N 2.78Å; Q38-A40 VanDerWaalsContact O-N 3.09Å; A40-H44 WeakPolarHBondContact O-CB 3.31Å; A40-H44 PolarHBondContact O-N 3.48Å |
| 41 | K | 96.7 | Very high | 95.7 | Very high | 125 Ų | 125 | 56 Ų | 56 | 54% | 0.543 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -79.4 | -45 | 176.4 | -70.5 | -61 | -170.5 | 175.1 | 0 | 111.5 | S35 Q38 W39 W43 H44 A45 | S35-K41 VanDerWaalsContact O-CG 3.24Å; S35-K41 WeakPolarHBondContact O-CG 3.45Å; Q38-K41 PolarHBondContact O-N 2.73Å; W39-K41 VanDerWaalsContact C-N 3.26Å; W39-K41 PolarHBondContact O-N 3.18Å; K41-W43 PolarHBondContact O-N 2.8Å; K41-H44 WeakPolarHBondContact O-CB 3.32Å; K41-H44 PolarHBondContact O-N 3Å; K41-H44 VanDerWaalsContact O-N 3.16Å; K41-A45 PolarHBondContact O-N 2.73Å |
| 42 | R | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.3 | -47.2 | 175.3 | -67.5 | -174.1 | 60.9 | -139.4 | -9.3 | 112 | V16 L17 E36 I37 Q38 W39 H44 A45 L46 G361 | V16-R42 PolarHBondContact O-NH2 2.85Å; L17-R42 VanDerWaalsContact CB-NH2 3.32Å; L17-R42 VanDerWaalsContact O-CZ 3.31Å; L17-R42 PolarHBondContact O-NH1 2.93Å; L17-R42 PolarHBondContact O-NH2 3.2Å; E36-R42 WeakPolarHBondContact O-CG 3.26Å; I37-R42 WeakPolarHBondContact O-CD 3.32Å; Q38-R42 PolarHBondContact O-N 2.83Å; W39-R42 PolarHBondContact O-N 2.78Å; R42-H44 VanDerWaalsContact C-N 3.32Å; R42-H44 PolarHBondContact O-N 2.94Å; R42-A45 PolarHBondContact O-N 3.22Å; R42-L46 WeakPolarHBondContact O-CB 3.37Å; R42-L46 WeakPolarHBondContact O-CG 3.42Å; R42-L46 PolarHBondContact O-N 2.82Å; R42-G361 VanDerWaalsContact CZ-O 3.29Å; R42-G361 PolarHBondContact NE-O 2.89Å; R42-G361 PolarHBondContact NH2-O 2.95Å |
| 43 | W | 98.2 | Very high | 96.1 | Very high | 37 Ų | 37 | 61.5 Ų | 61.5 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -41.8 | 175.1 | 174.1 | -107.5 | 0 | 0 | 0 | 112.1 | W39 K41 A45 L46 S47 F50 Y71 Y72 L75 | W39-W43 HydrophobicContact CD2-CB 4.19Å; W39-W43 HydrophobicContact CE3-CB 4.41Å; W39-W43 HydrophobicContact CH2-CB 4.03Å; W39-W43 HydrophobicContact CH2-CD2 4.25Å; W39-W43 AromaticContact CH2-CE3 3.6Å; W39-W43 HydrophobicContact CH2-CE3 3.6Å; W39-W43 HydrophobicContact CH2-CG 4.45Å; W39-W43 HydrophobicContact CH2-CZ3 4.45Å; W39-W43 HydrophobicContact CZ2-CB 3.79Å; W39-W43 HydrophobicContact CZ2-CD2 4.02Å; W39-W43 AromaticContact CZ2-CE3 3.75Å; W39-W43 HydrophobicContact CZ2-CE3 3.75Å; W39-W43 HydrophobicContact CZ2-CG 4.04Å; W39-W43 HydrophobicContact CZ3-CB 4.33Å; W39-W43 VanDerWaalsContact O-CB 3.22Å; W39-W43 WeakPolarHBondContact O-CB 3.38Å; W39-W43 PolarHBondContact O-N 2.89Å; K41-W43 PolarHBondContact O-N 2.8Å; W43-A45 PolarHBondContact O-N 2.99Å; W43-L46 PolarHBondContact O-N 2.92Å; W43-S47 WeakPolarHBondContact O-CB 3.34Å; W43-S47 PolarHBondContact O-N 3.19Å; W43-S47 PolarHBondContact O-OG 3.33Å; W43-S47 VanDerWaalsContact O-OG 3.1Å; W43-F50 HydrophobicContact CZ3-CE2 4.3Å; W43-Y71 AromaticContact CD1-CD1 3.59Å; W43-Y71 AromaticContact CD1-CE1 3.86Å; W43-Y71 AromaticContact CD2-CD1 3.68Å; W43-Y71 HydrophobicContact CD2-CD1 3.68Å; W43-Y71 HydrophobicContact CD2-CG 4.17Å; W43-Y71 AromaticContact CE2-CD1 3.51Å; W43-Y71 HydrophobicContact CE3-CD1 4.44Å; W43-Y71 AromaticContact CG-CD1 3.74Å; W43-Y71 HydrophobicContact CG-CD1 3.74Å; W43-Y71 HydrophobicContact CG-CE1 4.16Å; W43-Y71 VanDerWaalsContact CH2-O 3.31Å; W43-Y71 WeakPolarHBondContact CH2-O 3.38Å; W43-Y71 HydrophobicContact CZ2-CD1 4.12Å; W43-Y71 HydrophobicContact CZ2-CG 4.43Å; W43-Y71 WeakPolarHBondContact CZ2-O 3.5Å; W43-Y71 AromaticContact NE1-CD1 3.45Å; W43-Y72 HydrophobicContact CH2-CD1 4.48Å; W43-Y72 HydrophobicContact CH2-CG 4.46Å; W43-Y72 AromaticContact CZ3-CD1 3.89Å; W43-Y72 HydrophobicContact CZ3-CD1 3.89Å; W43-Y72 HydrophobicContact CZ3-CD2 4.18Å; W43-Y72 AromaticContact CZ3-CE1 3.88Å; W43-Y72 HydrophobicContact CZ3-CE1 3.88Å; W43-Y72 HydrophobicContact CZ3-CE2 4.17Å; W43-Y72 HydrophobicContact CZ3-CG 4.05Å; W43-L75 HydrophobicContact CH2-CB 4.09Å; W43-L75 HydrophobicContact CH2-CD2 3.76Å; W43-L75 HydrophobicContact CZ2-CB 4.06Å; W43-L75 HydrophobicContact CZ2-CD2 3.9Å |
| 44 | H | 97.9 | Very high | 96.4 | Very high | 109 Ų | 109 | 57.5 Ų | 57.5 | 51% | 0.505 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.5 | -49.3 | 175.9 | -178.4 | 67.5 | 0 | 0 | 0 | 110.8 | A40 K41 R42 S47 Q48 | A40-H44 WeakPolarHBondContact O-CB 3.31Å; A40-H44 PolarHBondContact O-N 3.48Å; K41-H44 WeakPolarHBondContact O-CB 3.32Å; K41-H44 PolarHBondContact O-N 3Å; K41-H44 VanDerWaalsContact O-N 3.16Å; R42-H44 VanDerWaalsContact C-N 3.32Å; R42-H44 PolarHBondContact O-N 2.94Å; H44-S47 PolarHBondContact O-N 3.43Å; H44-S47 PolarHBondContact O-OG 3.1Å; H44-Q48 WeakPolarHBondContact O-CG 3.33Å; H44-Q48 PolarHBondContact O-N 3.28Å; H44-Q48 VanDerWaalsContact O-N 3.17Å |
| 45 | A | 97.4 | Very high | 96.9 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -54.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K41 R42 W43 S47 Q48 E49 | K41-A45 PolarHBondContact O-N 2.73Å; R42-A45 PolarHBondContact O-N 3.22Å; W43-A45 PolarHBondContact O-N 2.99Å; A45-S47 VanDerWaalsContact C-N 3.3Å; A45-S47 PolarHBondContact O-N 3.44Å; A45-Q48 PolarHBondContact O-N 3.05Å; A45-E49 WeakPolarHBondContact O-CG 3.46Å; A45-E49 PolarHBondContact O-N 3.49Å |
| 46 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -53.5 | -45.6 | 178.1 | -72.7 | 173.8 | 0 | 0 | 0 | 112.2 | Y14 V16 W39 R42 W43 Q48 E49 F50 | Y14-L46 HydrophobicContact CE1-CD2 3.89Å; V16-L46 HydrophobicContact CB-CD1 4.25Å; V16-L46 HydrophobicContact CB-CD2 4.3Å; V16-L46 HydrophobicContact CG1-CD2 4.33Å; W39-L46 HydrophobicContact CZ3-CD1 4.35Å; R42-L46 WeakPolarHBondContact O-CB 3.37Å; R42-L46 WeakPolarHBondContact O-CG 3.42Å; R42-L46 PolarHBondContact O-N 2.82Å; W43-L46 PolarHBondContact O-N 2.92Å; L46-Q48 VanDerWaalsContact C-N 3.32Å; L46-Q48 PolarHBondContact O-N 3.04Å; L46-E49 WeakPolarHBondContact O-CB 3.47Å; L46-E49 PolarHBondContact O-N 3.26Å; L46-F50 HydrophobicContact CB-CE2 3.87Å; L46-F50 HydrophobicContact CB-CZ 4.07Å; L46-F50 HydrophobicContact CD2-CZ 4.28Å; L46-F50 WeakPolarHBondContact O-CD2 3.38Å; L46-F50 WeakPolarHBondContact O-CG 3.47Å; L46-F50 PolarHBondContact O-N 3.36Å |
| 47 | S | 98.4 | Very high | 97.6 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63 | -37.9 | -179.7 | 71.1 | 0 | 0 | 0 | 0 | 112.5 | W43 H44 A45 V51 | W43-S47 WeakPolarHBondContact O-CB 3.34Å; W43-S47 PolarHBondContact O-N 3.19Å; W43-S47 PolarHBondContact O-OG 3.33Å; W43-S47 VanDerWaalsContact O-OG 3.1Å; H44-S47 PolarHBondContact O-N 3.43Å; H44-S47 PolarHBondContact O-OG 3.1Å; A45-S47 VanDerWaalsContact C-N 3.3Å; A45-S47 PolarHBondContact O-N 3.44Å; S47-V51 VanDerWaalsContact O-CG2 3.28Å; S47-V51 WeakPolarHBondContact O-CG2 3.45Å; S47-V51 PolarHBondContact O-N 3.1Å |
| 48 | Q | 98.1 | Very high | 97.8 | Very high | 109 Ų | 109 | 46.2 Ų | 46.2 | 51% | 0.509 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.7 | -41.1 | 174.4 | -66.1 | -57.7 | -58.6 | 0 | 0 | 111.1 | H44 A45 L46 F50 V51 H52 | H44-Q48 WeakPolarHBondContact O-CG 3.33Å; H44-Q48 PolarHBondContact O-N 3.28Å; H44-Q48 VanDerWaalsContact O-N 3.17Å; A45-Q48 PolarHBondContact O-N 3.05Å; L46-Q48 VanDerWaalsContact C-N 3.32Å; L46-Q48 PolarHBondContact O-N 3.04Å; Q48-F50 PolarHBondContact O-N 2.78Å; Q48-V51 PolarHBondContact O-N 2.93Å; Q48-H52 WeakPolarHBondContact O-CB 3.48Å; Q48-H52 PolarHBondContact O-N 2.94Å |
| 49 | E | 97.2 | Very high | 98 | Very high | 26 Ų | 26 | 42.3 Ų | 42.3 | 12% | 0.121 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 175.3 | -70.9 | 176.2 | -105.2 | 0 | 0 | 111.3 | Y14 A45 L46 V51 H52 L53 C360 G361 | Y14-E49 WeakPolarHBondContact CE1-OE2 3.37Å; Y14-E49 PolarHBondContact OH-OE1 2.84Å; Y14-E49 PolarHBondContact OH-OE2 2.89Å; A45-E49 WeakPolarHBondContact O-CG 3.46Å; A45-E49 PolarHBondContact O-N 3.49Å; L46-E49 WeakPolarHBondContact O-CB 3.47Å; L46-E49 PolarHBondContact O-N 3.26Å; E49-V51 VanDerWaalsContact C-N 3.35Å; E49-V51 PolarHBondContact O-N 3.48Å; E49-H52 PolarHBondContact O-N 2.79Å; E49-L53 VanDerWaalsContact O-CB 3.31Å; E49-L53 WeakPolarHBondContact O-CB 3.46Å; E49-L53 WeakPolarHBondContact O-CG 2.95Å; E49-L53 PolarHBondContact O-N 2.79Å; E49-C360 WeakPolarHBondContact OE1-CA 3.17Å; E49-G361 PolarHBondContact OE1-N 2.7Å |
| 50 | F | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -42.7 | 178.2 | -58 | -40.4 | 0 | 0 | 0 | 112.4 | Y14 V16 W43 L46 Q48 H52 D54 F58 L60 Y72 L75 F76 | Y14-F50 AromaticContact CD1-CE1 3.84Å; Y14-F50 HydrophobicContact CD1-CE1 3.84Å; Y14-F50 HydrophobicContact CE1-CE1 4.19Å; V16-F50 HydrophobicContact CG1-CE1 4.21Å; V16-F50 HydrophobicContact CG1-CZ 3.84Å; W43-F50 HydrophobicContact CZ3-CE2 4.3Å; L46-F50 HydrophobicContact CB-CE2 3.87Å; L46-F50 HydrophobicContact CB-CZ 4.07Å; L46-F50 HydrophobicContact CD2-CZ 4.28Å; L46-F50 WeakPolarHBondContact O-CD2 3.38Å; L46-F50 WeakPolarHBondContact O-CG 3.47Å; L46-F50 PolarHBondContact O-N 3.36Å; Q48-F50 PolarHBondContact O-N 2.78Å; F50-H52 VanDerWaalsContact C-N 3.34Å; F50-D54 PolarHBondContact O-N 3.48Å; F50-F58 HydrophobicContact CB-CZ 4.42Å; F50-F58 HydrophobicContact CD1-CD1 4.25Å; F50-F58 AromaticContact CD1-CE1 3.93Å; F50-F58 HydrophobicContact CD1-CE1 3.93Å; F50-L60 HydrophobicContact CE1-CD1 4.24Å; F50-L60 HydrophobicContact CE1-CD2 3.95Å; F50-L60 HydrophobicContact CZ-CD1 4.06Å; F50-L60 HydrophobicContact CZ-CD2 4.47Å; F50-Y72 HydrophobicContact CE2-CD1 4.27Å; F50-Y72 HydrophobicContact CE2-CE1 4.08Å; F50-Y72 HydrophobicContact CZ-CE1 4.17Å; F50-L75 HydrophobicContact CD2-CD2 3.96Å; F50-F76 HydrophobicContact CB-CZ 4.25Å; F50-F76 HydrophobicContact CD1-CZ 4.27Å; F50-F76 HydrophobicContact CD2-CE2 4.18Å; F50-F76 HydrophobicContact CD2-CZ 4.19Å; F50-F76 HydrophobicContact CE2-CE2 4.42Å; F50-F76 HydrophobicContact CG-CE2 4.44Å; F50-F76 AromaticContact CG-CZ 3.99Å; F50-F76 HydrophobicContact CG-CZ 3.99Å |
| 51 | V | 98.4 | Very high | 98.2 | Very high | 68 Ų | 68 | 37.2 Ų | 37.2 | 41% | 0.412 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.8 | -39.8 | 177 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | S47 Q48 E49 L79 | S47-V51 VanDerWaalsContact O-CG2 3.28Å; S47-V51 WeakPolarHBondContact O-CG2 3.45Å; S47-V51 PolarHBondContact O-N 3.1Å; Q48-V51 PolarHBondContact O-N 2.93Å; E49-V51 VanDerWaalsContact C-N 3.35Å; E49-V51 PolarHBondContact O-N 3.48Å; V51-L79 HydrophobicContact CG2-CD1 3.9Å; V51-L79 HydrophobicContact CG2-CD2 4.14Å |
| 52 | H | 97.8 | Very high | 98.3 | Very high | 167 Ų | 167 | 32.2 Ų | 32.2 | 77% | 0.773 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -73 | -41.7 | -179.5 | -174.3 | 70.9 | 0 | 0 | 0 | 112.7 | Q48 E49 F50 D54 | Q48-H52 WeakPolarHBondContact O-CB 3.48Å; Q48-H52 PolarHBondContact O-N 2.94Å; E49-H52 PolarHBondContact O-N 2.79Å; F50-H52 VanDerWaalsContact C-N 3.34Å; H52-D54 VanDerWaalsContact C-N 3.33Å |
| 53 | L | 97.9 | Very high | 98.3 | Very high | 32 Ų | 32 | 32.2 Ų | 32.2 | 17% | 0.168 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -66.1 | -35.9 | 177.8 | -71 | 167.3 | 0 | 0 | 0 | 111.6 | E49 A55 F58 P366 L368 | E49-L53 VanDerWaalsContact O-CB 3.31Å; E49-L53 WeakPolarHBondContact O-CB 3.46Å; E49-L53 WeakPolarHBondContact O-CG 2.95Å; E49-L53 PolarHBondContact O-N 2.79Å; L53-A55 PolarHBondContact O-N 2.96Å; L53-F58 HydrophobicContact CB-CE1 4.14Å; L53-F58 HydrophobicContact CB-CZ 3.95Å; L53-F58 HydrophobicContact CD1-CE1 4.17Å; L53-P366 HydrophobicContact CD1-CB 3.95Å; L53-P366 HydrophobicContact CD1-CG 4.03Å; L53-P366 HydrophobicContact CD2-CG 4.46Å; L53-L368 HydrophobicContact CD2-CD2 4.13Å |
| 54 | D | 98.2 | Very high | 98.3 | Very high | 84 Ų | 84 | 30.7 Ų | 30.7 | 45% | 0.449 | 15% | 0.153 | S | C | . | . | trans | 43 | 36.7 | 178.4 | -169.8 | 36 | 0 | 0 | 0 | 114.5 | F50 H52 Y81 K101 | F50-D54 PolarHBondContact O-N 3.48Å; H52-D54 VanDerWaalsContact C-N 3.33Å; D54-Y81 PolarHBondContact OD1-OH 2.79Å; D54-K101 PolarHBondContact O-NZ 2.8Å; D54-K101 WeakPolarHBondContact OD1-CE 3.37Å; D54-K101 IonicContact OD1-NZ 3.53Å; D54-K101 PolarHBondContact OD1-NZ 3.04Å; D54-K101 IonicContact OD2-NZ 3.47Å; D54-K101 PolarHBondContact OD2-NZ 2.82Å | ||
| 55 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -67.1 | 140.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T10 C12 L53 I57 F58 Y81 L368 | T10-A55 WeakPolarHBondContact OG1-CA 3.16Å; C12-A55 HydrophobicContact CB-CB 3.55Å; L53-A55 PolarHBondContact O-N 2.96Å; A55-I57 PolarHBondContact O-N 2.65Å; A55-F58 HydrophobicContact CB-CD1 4.39Å; A55-F58 HydrophobicContact CB-CD2 4.04Å; A55-F58 HydrophobicContact CB-CE1 4.01Å; A55-F58 HydrophobicContact CB-CE2 3.64Å; A55-F58 HydrophobicContact CB-CG 4.41Å; A55-F58 HydrophobicContact CB-CZ 3.63Å; A55-F58 VanDerWaalsContact O-CE2 3.29Å; A55-F58 WeakPolarHBondContact O-CE2 3.35Å; A55-Y81 WeakPolarHBondContact O-CE1 3.19Å; A55-Y81 PolarHBondContact O-OH 2.85Å; A55-L368 HydrophobicContact CB-CD1 3.65Å | ||
| 56 | D | 98.8 | Very high | 98.2 | Very high | 7 Ų | 7 | 31.7 Ų | 31.7 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -69.3 | -24.6 | -177.1 | -57.4 | -59.2 | 0 | 0 | 0 | 113.3 | F9 T10 W100 K101 K104 F105 | F9-D56 WeakPolarHBondContact CA-OD2 3.24Å; F9-D56 HydrophobicContact CB-CB 4.15Å; T10-D56 PolarHBondContact N-OD2 3.16Å; T10-D56 WeakPolarHBondContact O-CB 3.47Å; T10-D56 PolarHBondContact O-N 3.39Å; T10-D56 VanDerWaalsContact O-N 3.13Å; T10-D56 PolarHBondContact OG1-N 2.74Å; T10-D56 PolarHBondContact OG1-OD2 3.33Å; D56-W100 CarbonylContact O-C 3.59Å; D56-W100 WeakPolarHBondContact O-CA 3.38Å; D56-K101 HydrophobicContact CB-CD 4.47Å; D56-K101 PolarHBondContact O-N 2.67Å; D56-K101 WeakPolarHBondContact OD1-CD 3.47Å; D56-K101 IonicContact OD1-NZ 3.4Å; D56-K101 PolarHBondContact OD1-NZ 2.82Å; D56-K104 HydrophobicContact CB-CD 3.99Å; D56-K104 WeakPolarHBondContact OD1-CD 3.32Å; D56-K104 VanDerWaalsContact OD1-CE 3.26Å; D56-K104 WeakPolarHBondContact OD1-CE 3.42Å; D56-K104 IonicContact OD1-NZ 2.72Å; D56-K104 PolarHBondContact OD1-NZ 3.16Å; D56-K104 IonicContact OD2-NZ 3.56Å; D56-K104 PolarHBondContact OD2-NZ 3.32Å; D56-F105 HydrophobicContact CB-CE2 4.03Å |
| 57 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 131.1 | 170.9 | -59 | 174.7 | 0 | 0 | 0 | 108.7 | F9 T10 L11 C12 A55 T98 F99 W100 F105 L133 V153 | F9-I57 HydrophobicContact CD2-CD1 4.2Å; F9-I57 HydrophobicContact CE2-CD1 4.1Å; T10-I57 PolarHBondContact O-N 3.48Å; L11-I57 CarbonylContact C-O 3.53Å; L11-I57 VanDerWaalsContact CA-O 3.29Å; L11-I57 WeakPolarHBondContact CA-O 3.24Å; L11-I57 HydrophobicContact CB-CB 4.3Å; L11-I57 HydrophobicContact CD1-CB 4.06Å; L11-I57 HydrophobicContact CD1-CD1 4.4Å; L11-I57 HydrophobicContact CD1-CG2 3.79Å; L11-I57 HydrophobicContact CG-CB 4.04Å; L11-I57 HydrophobicContact CG-CG2 4.03Å; C12-I57 PolarHBondContact N-O 3.02Å; A55-I57 PolarHBondContact O-N 2.65Å; I57-T98 HydrophobicContact CG2-CG2 4.12Å; I57-F99 CarbonylContact C-O 3.51Å; I57-F99 VanDerWaalsContact CA-O 3.22Å; I57-F99 WeakPolarHBondContact CA-O 3.4Å; I57-F99 WeakPolarHBondContact CG2-O 3.34Å; I57-W100 HydrophobicContact CG1-CB 4.09Å; I57-F105 HydrophobicContact CD1-CD2 4.32Å; I57-F105 HydrophobicContact CD1-CE1 4.11Å; I57-F105 HydrophobicContact CD1-CE2 3.87Å; I57-F105 HydrophobicContact CD1-CZ 3.76Å; I57-F105 HydrophobicContact CG1-CD2 4.11Å; I57-F105 HydrophobicContact CG1-CE2 3.73Å; I57-F105 HydrophobicContact CG1-CZ 4.14Å; I57-L133 HydrophobicContact CD1-CD1 3.86Å; I57-L133 HydrophobicContact CG1-CD1 4.46Å; I57-V153 HydrophobicContact CD1-CG2 4.15Å; I57-V153 HydrophobicContact CG2-CG1 4.48Å |
| 58 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 127.6 | 168.9 | -76.7 | -90.6 | 0 | 0 | 0 | 110.1 | C12 F50 L53 A55 L60 F76 Y81 T98 F99 | C12-F58 HydrophobicContact CB-CD1 3.58Å; C12-F58 HydrophobicContact CB-CE1 3.72Å; C12-F58 HydrophobicContact CB-CG 4.32Å; C12-F58 CarbonylContact O-C 3.57Å; C12-F58 WeakPolarHBondContact O-CA 3.41Å; F50-F58 HydrophobicContact CB-CZ 4.42Å; F50-F58 HydrophobicContact CD1-CD1 4.25Å; F50-F58 AromaticContact CD1-CE1 3.93Å; F50-F58 HydrophobicContact CD1-CE1 3.93Å; L53-F58 HydrophobicContact CB-CE1 4.14Å; L53-F58 HydrophobicContact CB-CZ 3.95Å; L53-F58 HydrophobicContact CD1-CE1 4.17Å; A55-F58 HydrophobicContact CB-CD1 4.39Å; A55-F58 HydrophobicContact CB-CD2 4.04Å; A55-F58 HydrophobicContact CB-CE1 4.01Å; A55-F58 HydrophobicContact CB-CE2 3.64Å; A55-F58 HydrophobicContact CB-CG 4.41Å; A55-F58 HydrophobicContact CB-CZ 3.63Å; A55-F58 VanDerWaalsContact O-CE2 3.29Å; A55-F58 WeakPolarHBondContact O-CE2 3.35Å; F58-L60 HydrophobicContact CB-CD2 4.11Å; F58-L60 HydrophobicContact CB-CG 4.31Å; F58-L60 HydrophobicContact CD1-CD2 4.15Å; F58-F76 HydrophobicContact CB-CE1 4.28Å; F58-F76 HydrophobicContact CB-CZ 4.21Å; F58-F76 AromaticContact CD2-CE1 3.48Å; F58-F76 HydrophobicContact CD2-CE1 3.48Å; F58-F76 VanDerWaalsContact CD2-CE1 3.48Å; F58-F76 AromaticContact CD2-CZ 3.98Å; F58-F76 HydrophobicContact CD2-CZ 3.98Å; F58-F76 AromaticContact CE2-CE1 3.91Å; F58-F76 HydrophobicContact CE2-CE1 3.91Å; F58-F76 HydrophobicContact CE2-CZ 4.45Å; F58-F76 AromaticContact CG-CE1 3.96Å; F58-F76 HydrophobicContact CG-CE1 3.96Å; F58-F76 HydrophobicContact CG-CZ 4Å; F58-Y81 AromaticContact CD2-CE1 3.91Å; F58-Y81 HydrophobicContact CD2-CE1 3.91Å; F58-Y81 HydrophobicContact CE2-CE1 4.15Å; F58-T98 CarbonylContact O-C 3.57Å; F58-T98 VanDerWaalsContact O-CA 3.24Å; F58-T98 WeakPolarHBondContact O-CA 3.44Å; F58-F99 HydrophobicContact CB-CB 4.34Å; F58-F99 PolarHBondContact N-O 2.78Å; F58-F99 PolarHBondContact O-N 3.16Å |
| 59 | C | 99 | Very high | 98 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 102.6 | 169.6 | -70.6 | 0 | 0 | 0 | 0 | 108.1 | C12 S13 Y14 Q61 V153 N155 C196 | C12-C59 PolarHBondContact O-N 2.65Å; S13-C59 CarbonylContact C-O 3.49Å; S13-C59 WeakPolarHBondContact CA-O 3.31Å; Y14-C59 PolarHBondContact N-O 2.81Å; C59-Q61 PolarHBondContact O-NE2 2.65Å; C59-V153 WeakPolarHBondContact SG-CG1 3.35Å; C59-N155 HydrophobicContact CB-CB 3.95Å; C59-C196 WeakPolarHBondContact CB-SG 3.21Å |
| 60 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.7 | -175.7 | -51.8 | -176.5 | 0 | 0 | 0 | 111 | Y14 V16 F50 F58 V63 Y72 F76 C96 A97 F99 N155 | Y14-L60 VanDerWaalsContact O-CA 3.26Å; Y14-L60 WeakPolarHBondContact O-CA 3.27Å; V16-L60 HydrophobicContact CG1-CB 4.32Å; V16-L60 HydrophobicContact CG1-CD1 4.37Å; V16-L60 HydrophobicContact CG1-CD2 4.05Å; V16-L60 HydrophobicContact CG1-CG 4.48Å; F50-L60 HydrophobicContact CE1-CD1 4.24Å; F50-L60 HydrophobicContact CE1-CD2 3.95Å; F50-L60 HydrophobicContact CZ-CD1 4.06Å; F50-L60 HydrophobicContact CZ-CD2 4.47Å; F58-L60 HydrophobicContact CB-CD2 4.11Å; F58-L60 HydrophobicContact CB-CG 4.31Å; F58-L60 HydrophobicContact CD1-CD2 4.15Å; L60-V63 HydrophobicContact CB-CG2 3.52Å; L60-V63 HydrophobicContact CD1-CG2 4.3Å; L60-Y72 HydrophobicContact CD1-CD1 4.03Å; L60-Y72 HydrophobicContact CD1-CE1 4.27Å; L60-F76 HydrophobicContact CD1-CE2 3.94Å; L60-F76 HydrophobicContact CD1-CZ 4.25Å; L60-C96 CarbonylContact O-C 3.57Å; L60-C96 VanDerWaalsContact O-CA 3.27Å; L60-C96 WeakPolarHBondContact O-CA 3.49Å; L60-A97 HydrophobicContact CB-CB 4.4Å; L60-A97 PolarHBondContact N-O 3.5Å; L60-A97 PolarHBondContact O-N 2.84Å; L60-F99 HydrophobicContact CD1-CD2 4.09Å; L60-F99 HydrophobicContact CD1-CE2 3.9Å; L60-N155 PolarHBondContact N-ND2 2.83Å; L60-N155 PolarHBondContact O-ND2 2.92Å |
| 61 | Q | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 156.9 | 172.9 | -56.7 | 76.4 | 47.3 | 0 | 0 | 110.1 | S13 Y14 N15 V16 C59 V63 N155 T156 H157 D198 | S13-Q61 PolarHBondContact OG-NE2 3.34Å; Y14-Q61 PolarHBondContact O-N 2.84Å; Y14-Q61 PolarHBondContact O-OE1 2.92Å; N15-Q61 HydrophobicContact CB-CB 4.1Å; V16-Q61 VanDerWaalsContact CG2-O 3.23Å; V16-Q61 WeakPolarHBondContact CG2-O 3.29Å; V16-Q61 PolarHBondContact N-O 2.85Å; C59-Q61 PolarHBondContact O-NE2 2.65Å; Q61-V63 PolarHBondContact O-N 2.94Å; Q61-N155 PolarHBondContact NE2-OD1 3.38Å; Q61-T156 WeakPolarHBondContact CG-O 3.44Å; Q61-H157 HydrophobicContact CB-CB 4.03Å; Q61-H157 HydrophobicContact CG-CB 4.04Å; Q61-D198 HydrophobicContact CG-CB 4.41Å |
| 62 | E | 98.4 | Very high | 98 | Very high | 20 Ų | 20 | 35 Ų | 35 | 9% | 0.093 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 58 | 30.2 | -177.3 | -59.3 | -162.6 | -158.8 | 0 | 0 | 115.5 | N15 C18 Q64 G95 H157 | N15-E62 PolarHBondContact ND2-OE1 2.95Å; N15-E62 VanDerWaalsContact ND2-OE1 3.1Å; N15-E62 VanDerWaalsContact OD1-CB 3.31Å; N15-E62 WeakPolarHBondContact OD1-CB 3.49Å; N15-E62 WeakPolarHBondContact OD1-CG 3.19Å; C18-E62 WeakPolarHBondContact CA-O 3.34Å; C18-E62 HydrophobicContact CB-CB 4.02Å; C18-E62 WeakPolarHBondContact CB-O 3.41Å; C18-E62 PolarHBondContact N-O 3.15Å; C18-E62 PolarHBondContact N-OE2 3.31Å; E62-Q64 PolarHBondContact O-N 2.85Å; E62-G95 PolarHBondContact N-O 3.09Å; E62-H157 WeakPolarHBondContact CG-ND1 3.39Å; E62-H157 IonicContact OE1-CE1 2.82Å; E62-H157 PolarHBondContact OE1-CE1 3.22Å; E62-H157 IonicContact OE1-ND1 2.92Å |
| 63 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 118.5 | 173.9 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | V16 L60 Q61 F68 Y72 Y85 D94 G95 A97 | V16-V63 HydrophobicContact CG2-CG2 3.83Å; L60-V63 HydrophobicContact CB-CG2 3.52Å; L60-V63 HydrophobicContact CD1-CG2 4.3Å; Q61-V63 PolarHBondContact O-N 2.94Å; V63-F68 HydrophobicContact CG1-CB 4.36Å; V63-F68 HydrophobicContact CG1-CD2 3.92Å; V63-Y72 HydrophobicContact CG1-CD1 4.3Å; V63-Y72 HydrophobicContact CG1-CD2 3.75Å; V63-Y72 HydrophobicContact CG1-CE1 4.39Å; V63-Y72 HydrophobicContact CG1-CE2 3.86Å; V63-Y72 HydrophobicContact CG1-CG 3.98Å; V63-Y72 HydrophobicContact CG2-CE1 4.46Å; V63-Y85 HydrophobicContact CB-CD2 4.41Å; V63-Y85 HydrophobicContact CB-CE2 4.01Å; V63-Y85 HydrophobicContact CG1-CD2 4.4Å; V63-Y85 HydrophobicContact CG1-CE2 4.17Å; V63-Y85 PolarHBondContact O-OH 2.96Å; V63-D94 CarbonylContact O-C 3.52Å; V63-D94 VanDerWaalsContact O-CA 3.26Å; V63-D94 WeakPolarHBondContact O-CA 3.2Å; V63-G95 PolarHBondContact N-O 2.82Å; V63-G95 PolarHBondContact O-N 3.43Å; V63-A97 HydrophobicContact CB-CB 4.48Å; V63-A97 HydrophobicContact CG2-CB 3.95Å |
| 64 | Q | 98 | Very high | 98 | Very high | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.019 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 133.6 | -179.4 | -167 | 169.6 | -55.3 | 0 | 0 | 111.5 | C18 Q19 D20 E62 D66 Q67 F68 A93 | C18-Q64 PolarHBondContact SG-OE1 2.8Å; Q19-Q64 VanDerWaalsContact CB-OE1 3.32Å; Q19-Q64 VanDerWaalsContact N-OE1 3.14Å; D20-Q64 PolarHBondContact OD1-NE2 2.87Å; D20-Q64 PolarHBondContact OD1-OE1 3.43Å; E62-Q64 PolarHBondContact O-N 2.85Å; Q64-D66 VanDerWaalsContact CG-OD1 3.24Å; Q64-D66 WeakPolarHBondContact CG-OD1 3.22Å; Q64-D66 PolarHBondContact NE2-OD1 2.84Å; Q64-D66 PolarHBondContact O-N 3.04Å; Q64-Q67 HydrophobicContact CB-CB 4.26Å; Q64-Q67 HydrophobicContact CB-CG 4.26Å; Q64-Q67 HydrophobicContact CG-CG 4.5Å; Q64-Q67 PolarHBondContact O-N 2.85Å; Q64-F68 PolarHBondContact O-N 2.8Å; Q64-A93 HydrophobicContact CG-CB 4.41Å |
| 65 | A | 97.1 | Very high | 98.1 | Very high | 21 Ų | 21 | 31.5 Ų | 31.5 | 17% | 0.174 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.5 | -43 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q67 F68 Y85 R87 A93 | A65-Q67 PolarHBondContact O-N 2.92Å; A65-F68 PolarHBondContact O-N 3.13Å; A65-Y85 WeakPolarHBondContact CA-OH 3.24Å; A65-Y85 HydrophobicContact CB-CE1 4.33Å; A65-Y85 WeakPolarHBondContact CB-OH 3.46Å; A65-R87 HydrophobicContact CB-CG 4.09Å; A65-A93 VanDerWaalsContact CB-O 3.29Å; A65-A93 WeakPolarHBondContact CB-O 3.45Å; A65-A93 PolarHBondContact N-O 3.15Å |
| 66 | D | 95.7 | Very high | 98.1 | Very high | 114 Ų | 114 | 31.5 Ų | 31.5 | 61% | 0.61 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -76 | -13.6 | 179.9 | 64.6 | -11.8 | 0 | 0 | 0 | 113.2 | Q64 S70 | Q64-D66 VanDerWaalsContact CG-OD1 3.24Å; Q64-D66 WeakPolarHBondContact CG-OD1 3.22Å; Q64-D66 PolarHBondContact NE2-OD1 2.84Å; Q64-D66 PolarHBondContact O-N 3.04Å; D66-S70 PolarHBondContact O-OG 3.3Å |
| 67 | Q | 96.9 | Very high | 98.1 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -94.8 | -16.7 | 174.7 | -64.8 | 169 | -0.2 | 0 | 0 | 112.5 | W39 Q64 A65 S70 Y71 Y72 | W39-Q67 HydrophobicContact CH2-CB 4.45Å; W39-Q67 HydrophobicContact CH2-CG 4.49Å; W39-Q67 HydrophobicContact CZ2-CB 4.01Å; W39-Q67 VanDerWaalsContact CZ2-CD 3.45Å; W39-Q67 HydrophobicContact CZ2-CG 3.89Å; W39-Q67 VanDerWaalsContact CZ2-OE1 3.22Å; Q64-Q67 HydrophobicContact CB-CB 4.26Å; Q64-Q67 HydrophobicContact CB-CG 4.26Å; Q64-Q67 HydrophobicContact CG-CG 4.5Å; Q64-Q67 PolarHBondContact O-N 2.85Å; A65-Q67 PolarHBondContact O-N 2.92Å; Q67-S70 PolarHBondContact O-OG 2.85Å; Q67-Y71 HydrophobicContact CB-CD2 4.03Å; Q67-Y71 HydrophobicContact CG-CD2 4.26Å; Q67-Y71 WeakPolarHBondContact O-CB 3.31Å; Q67-Y71 PolarHBondContact O-N 2.83Å; Q67-Y72 HydrophobicContact CB-CD2 4.39Å; Q67-Y72 HydrophobicContact CB-CE2 4.11Å; Q67-Y72 PolarHBondContact O-N 3.26Å |
| 68 | F | 97.9 | Very high | 98 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 6% | 0.057 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -57 | -60.8 | -173.7 | 177.6 | -103.1 | 0 | 0 | 0 | 112.2 | V63 Q64 A65 S70 Y72 E73 Y85 A97 F99 | V63-F68 HydrophobicContact CG1-CB 4.36Å; V63-F68 HydrophobicContact CG1-CD2 3.92Å; Q64-F68 PolarHBondContact O-N 2.8Å; A65-F68 PolarHBondContact O-N 3.13Å; F68-S70 PolarHBondContact O-N 2.99Å; F68-Y72 PolarHBondContact O-N 2.97Å; F68-Y72 VanDerWaalsContact O-N 3.1Å; F68-E73 HydrophobicContact CD1-CB 4.45Å; F68-E73 HydrophobicContact CE1-CB 4.01Å; F68-E73 HydrophobicContact CE1-CG 4.37Å; F68-E73 HydrophobicContact CZ-CB 4.07Å; F68-E73 HydrophobicContact CZ-CG 4.43Å; F68-E73 PolarHBondContact O-N 2.88Å; F68-Y85 HydrophobicContact CB-CD1 4.42Å; F68-Y85 HydrophobicContact CB-CE1 4.48Å; F68-Y85 HydrophobicContact CD1-CD1 4.05Å; F68-Y85 HydrophobicContact CD1-CG 4.11Å; F68-Y85 HydrophobicContact CD2-CD1 4.39Å; F68-Y85 AromaticContact CD2-CD2 3.92Å; F68-Y85 HydrophobicContact CD2-CD2 3.92Å; F68-Y85 AromaticContact CD2-CG 3.78Å; F68-Y85 HydrophobicContact CD2-CG 3.78Å; F68-Y85 HydrophobicContact CE1-CG 4.29Å; F68-Y85 VanDerWaalsContact CE2-CB 3.43Å; F68-Y85 HydrophobicContact CE2-CD2 4.26Å; F68-Y85 AromaticContact CE2-CG 3.96Å; F68-Y85 HydrophobicContact CE2-CG 3.96Å; F68-Y85 HydrophobicContact CG-CD1 4Å; F68-Y85 HydrophobicContact CG-CD2 4.3Å; F68-Y85 AromaticContact CG-CG 3.87Å; F68-Y85 HydrophobicContact CG-CG 3.87Å; F68-Y85 HydrophobicContact CZ-CG 4.22Å; F68-A97 HydrophobicContact CD2-CB 4.44Å; F68-A97 HydrophobicContact CE2-CB 3.97Å; F68-F99 HydrophobicContact CD2-CZ 4.35Å; F68-F99 HydrophobicContact CE2-CE1 4.12Å; F68-F99 HydrophobicContact CE2-CE2 4.27Å; F68-F99 AromaticContact CE2-CZ 3.47Å; F68-F99 HydrophobicContact CE2-CZ 3.47Å; F68-F99 VanDerWaalsContact CE2-CZ 3.47Å; F68-F99 HydrophobicContact CZ-CE1 4.32Å; F68-F99 HydrophobicContact CZ-CZ 4.11Å |
| 69 | D | 96 | Very high | 98 | Very high | 108 Ų | 108 | 44.4 Ų | 44.4 | 58% | 0.578 | 22% | 0.224 | S | C | * | . | I | π-helix | trans | -64.6 | -43.6 | -176.6 | -59.3 | -29.5 | 0 | 0 | 0 | 111.7 | K74 | D69-K74 PolarHBondContact O-N 3.29Å |
| 70 | S | 96 | Very high | 98 | Very high | 57 Ų | 57 | 46.2 Ų | 46.2 | 40% | 0.399 | 24% | 0.243 | S | C | . | . | I | π-helix | trans | -76.8 | -29 | -169 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | D66 Q67 F68 K74 | D66-S70 PolarHBondContact O-OG 3.3Å; Q67-S70 PolarHBondContact O-OG 2.85Å; F68-S70 PolarHBondContact O-N 2.99Å; S70-K74 WeakPolarHBondContact O-CD 3.16Å |
| 71 | Y | 98.4 | Very high | 98 | Very high | 90 Ų | 90 | 46.4 Ų | 46.4 | 35% | 0.353 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -117.7 | -64.5 | -177.1 | -67.4 | -86.3 | 0 | 0 | 0 | 112 | W39 W43 Q67 L75 | W39-Y71 HydrophobicContact CZ2-CD1 4.22Å; W39-Y71 AromaticContact CZ2-CD2 3.98Å; W39-Y71 HydrophobicContact CZ2-CD2 3.98Å; W39-Y71 HydrophobicContact CZ2-CE2 4.42Å; W39-Y71 AromaticContact CZ2-CG 3.88Å; W39-Y71 HydrophobicContact CZ2-CG 3.88Å; W39-Y71 AromaticContact NE1-CD2 3.91Å; W39-Y71 AromaticContact NE1-CE1 3.81Å; W39-Y71 AromaticContact NE1-CE2 3.46Å; W39-Y71 AromaticContact NE1-CZ 3.39Å; W43-Y71 AromaticContact CD1-CD1 3.59Å; W43-Y71 AromaticContact CD1-CE1 3.86Å; W43-Y71 AromaticContact CD2-CD1 3.68Å; W43-Y71 HydrophobicContact CD2-CD1 3.68Å; W43-Y71 HydrophobicContact CD2-CG 4.17Å; W43-Y71 AromaticContact CE2-CD1 3.51Å; W43-Y71 HydrophobicContact CE3-CD1 4.44Å; W43-Y71 AromaticContact CG-CD1 3.74Å; W43-Y71 HydrophobicContact CG-CD1 3.74Å; W43-Y71 HydrophobicContact CG-CE1 4.16Å; W43-Y71 VanDerWaalsContact CH2-O 3.31Å; W43-Y71 WeakPolarHBondContact CH2-O 3.38Å; W43-Y71 HydrophobicContact CZ2-CD1 4.12Å; W43-Y71 HydrophobicContact CZ2-CG 4.43Å; W43-Y71 WeakPolarHBondContact CZ2-O 3.5Å; W43-Y71 AromaticContact NE1-CD1 3.45Å; Q67-Y71 HydrophobicContact CB-CD2 4.03Å; Q67-Y71 HydrophobicContact CG-CD2 4.26Å; Q67-Y71 WeakPolarHBondContact O-CB 3.31Å; Q67-Y71 PolarHBondContact O-N 2.83Å; Y71-L75 WeakPolarHBondContact O-CB 2.94Å; Y71-L75 PolarHBondContact O-N 2.94Å |
| 72 | Y | 98.7 | Very high | 98 | Very high | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -66.7 | -60.2 | -171.7 | -65.7 | -93 | 0 | 0 | 0 | 111.6 | V16 W39 W43 F50 L60 V63 Q67 F68 K74 L75 F76 | V16-Y72 HydrophobicContact CG2-CE1 4.12Å; V16-Y72 WeakPolarHBondContact CG2-OH 3.37Å; W39-Y72 AromaticContact CH2-CE2 3.8Å; W39-Y72 HydrophobicContact CH2-CE2 3.8Å; W39-Y72 AromaticContact CH2-CZ 3.94Å; W39-Y72 HydrophobicContact CZ2-CE2 4.4Å; W43-Y72 HydrophobicContact CH2-CD1 4.48Å; W43-Y72 HydrophobicContact CH2-CG 4.46Å; W43-Y72 AromaticContact CZ3-CD1 3.89Å; W43-Y72 HydrophobicContact CZ3-CD1 3.89Å; W43-Y72 HydrophobicContact CZ3-CD2 4.18Å; W43-Y72 AromaticContact CZ3-CE1 3.88Å; W43-Y72 HydrophobicContact CZ3-CE1 3.88Å; W43-Y72 HydrophobicContact CZ3-CE2 4.17Å; W43-Y72 HydrophobicContact CZ3-CG 4.05Å; F50-Y72 HydrophobicContact CE2-CD1 4.27Å; F50-Y72 HydrophobicContact CE2-CE1 4.08Å; F50-Y72 HydrophobicContact CZ-CE1 4.17Å; L60-Y72 HydrophobicContact CD1-CD1 4.03Å; L60-Y72 HydrophobicContact CD1-CE1 4.27Å; V63-Y72 HydrophobicContact CG1-CD1 4.3Å; V63-Y72 HydrophobicContact CG1-CD2 3.75Å; V63-Y72 HydrophobicContact CG1-CE1 4.39Å; V63-Y72 HydrophobicContact CG1-CE2 3.86Å; V63-Y72 HydrophobicContact CG1-CG 3.98Å; V63-Y72 HydrophobicContact CG2-CE1 4.46Å; Q67-Y72 HydrophobicContact CB-CD2 4.39Å; Q67-Y72 HydrophobicContact CB-CE2 4.11Å; Q67-Y72 PolarHBondContact O-N 3.26Å; F68-Y72 PolarHBondContact O-N 2.97Å; F68-Y72 VanDerWaalsContact O-N 3.1Å; Y72-K74 VanDerWaalsContact C-N 3.28Å; Y72-K74 PolarHBondContact O-N 2.77Å; Y72-L75 PolarHBondContact O-N 3.25Å; Y72-F76 WeakPolarHBondContact O-CB 3.14Å; Y72-F76 VanDerWaalsContact O-CD2 3.27Å; Y72-F76 WeakPolarHBondContact O-CD2 3.34Å; Y72-F76 PolarHBondContact O-N 2.83Å |
| 73 | E | 98.4 | Very high | 98 | Very high | 68 Ų | 68 | 52.1 Ų | 52.1 | 32% | 0.318 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -59.1 | -42 | -178.4 | -169.2 | -174.1 | -133.1 | 0 | 0 | 111.2 | F68 F76 N77 | F68-E73 HydrophobicContact CD1-CB 4.45Å; F68-E73 HydrophobicContact CE1-CB 4.01Å; F68-E73 HydrophobicContact CE1-CG 4.37Å; F68-E73 HydrophobicContact CZ-CB 4.07Å; F68-E73 HydrophobicContact CZ-CG 4.43Å; F68-E73 PolarHBondContact O-N 2.88Å; E73-F76 PolarHBondContact O-N 3.22Å; E73-N77 WeakPolarHBondContact CG-ND2 3.33Å; E73-N77 VanDerWaalsContact O-CB 3.24Å; E73-N77 WeakPolarHBondContact O-CB 3.29Å; E73-N77 PolarHBondContact O-N 2.84Å; E73-N77 PolarHBondContact O-ND2 3.09Å |
| 74 | K | 98.5 | Very high | 98 | Very high | 121 Ų | 121 | 52.6 Ų | 52.6 | 53% | 0.526 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57.6 | -51 | 175.5 | -175.7 | 179.2 | 179.3 | -178.3 | 0 | 112.6 | D69 S70 Y72 Q78 | D69-K74 PolarHBondContact O-N 3.29Å; S70-K74 WeakPolarHBondContact O-CD 3.16Å; Y72-K74 VanDerWaalsContact C-N 3.28Å; Y72-K74 PolarHBondContact O-N 2.77Å; K74-Q78 VanDerWaalsContact O-CG 3.28Å; K74-Q78 WeakPolarHBondContact O-CG 3.2Å; K74-Q78 PolarHBondContact O-N 3.44Å; K74-Q78 VanDerWaalsContact O-N 3.16Å |
| 75 | L | 98.6 | Very high | 98 | Very high | 22 Ų | 22 | 54.5 Ų | 54.5 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.1 | -51 | 178.9 | 175.3 | 64.9 | 0 | 0 | 0 | 110.9 | W43 F50 Y71 Y72 N77 Q78 L79 | W43-L75 HydrophobicContact CH2-CB 4.09Å; W43-L75 HydrophobicContact CH2-CD2 3.76Å; W43-L75 HydrophobicContact CZ2-CB 4.06Å; W43-L75 HydrophobicContact CZ2-CD2 3.9Å; F50-L75 HydrophobicContact CD2-CD2 3.96Å; Y71-L75 WeakPolarHBondContact O-CB 2.94Å; Y71-L75 PolarHBondContact O-N 2.94Å; Y72-L75 PolarHBondContact O-N 3.25Å; L75-N77 VanDerWaalsContact C-N 3.32Å; L75-N77 PolarHBondContact O-N 3.2Å; L75-Q78 WeakPolarHBondContact O-CB 3.46Å; L75-Q78 PolarHBondContact O-N 2.86Å; L75-L79 HydrophobicContact CD1-CD1 3.94Å; L75-L79 HydrophobicContact CD1-CG 4.17Å; L75-L79 HydrophobicContact CG-CD1 3.93Å; L75-L79 HydrophobicContact CG-CG 4.46Å; L75-L79 WeakPolarHBondContact O-CG 3.35Å; L75-L79 PolarHBondContact O-N 3.17Å |
| 76 | F | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62.9 | -38 | -177 | -84.6 | -71.8 | 0 | 0 | 0 | 112 | F50 F58 L60 Y72 E73 Q78 L79 G80 Y81 F99 | F50-F76 HydrophobicContact CB-CZ 4.25Å; F50-F76 HydrophobicContact CD1-CZ 4.27Å; F50-F76 HydrophobicContact CD2-CE2 4.18Å; F50-F76 HydrophobicContact CD2-CZ 4.19Å; F50-F76 HydrophobicContact CE2-CE2 4.42Å; F50-F76 HydrophobicContact CG-CE2 4.44Å; F50-F76 AromaticContact CG-CZ 3.99Å; F50-F76 HydrophobicContact CG-CZ 3.99Å; F58-F76 HydrophobicContact CB-CE1 4.28Å; F58-F76 HydrophobicContact CB-CZ 4.21Å; F58-F76 AromaticContact CD2-CE1 3.48Å; F58-F76 HydrophobicContact CD2-CE1 3.48Å; F58-F76 VanDerWaalsContact CD2-CE1 3.48Å; F58-F76 AromaticContact CD2-CZ 3.98Å; F58-F76 HydrophobicContact CD2-CZ 3.98Å; F58-F76 AromaticContact CE2-CE1 3.91Å; F58-F76 HydrophobicContact CE2-CE1 3.91Å; F58-F76 HydrophobicContact CE2-CZ 4.45Å; F58-F76 AromaticContact CG-CE1 3.96Å; F58-F76 HydrophobicContact CG-CE1 3.96Å; F58-F76 HydrophobicContact CG-CZ 4Å; L60-F76 HydrophobicContact CD1-CE2 3.94Å; L60-F76 HydrophobicContact CD1-CZ 4.25Å; Y72-F76 WeakPolarHBondContact O-CB 3.14Å; Y72-F76 VanDerWaalsContact O-CD2 3.27Å; Y72-F76 WeakPolarHBondContact O-CD2 3.34Å; Y72-F76 PolarHBondContact O-N 2.83Å; E73-F76 PolarHBondContact O-N 3.22Å; F76-Q78 PolarHBondContact O-N 2.88Å; F76-L79 CarbonylContact O-C 3.57Å; F76-L79 PolarHBondContact O-N 3.06Å; F76-G80 PolarHBondContact O-N 3.39Å; F76-Y81 AromaticContact CD1-CD1 3.93Å; F76-Y81 HydrophobicContact CD1-CD1 3.93Å; F76-Y81 AromaticContact CD1-CD2 3.89Å; F76-Y81 HydrophobicContact CD1-CD2 3.89Å; F76-Y81 HydrophobicContact CD1-CE1 4.37Å; F76-Y81 HydrophobicContact CD1-CE2 4.34Å; F76-Y81 AromaticContact CD1-CG 3.69Å; F76-Y81 HydrophobicContact CD1-CG 3.69Å; F76-Y81 HydrophobicContact CE1-CD1 4.37Å; F76-Y81 HydrophobicContact CE1-CE1 4.42Å; F76-Y81 WeakPolarHBondContact O-CA 3.48Å; F76-Y81 WeakPolarHBondContact O-CB 3.4Å; F76-Y81 WeakPolarHBondContact O-CD2 3.5Å; F76-Y81 PolarHBondContact O-N 3.4Å; F76-F99 HydrophobicContact CB-CD1 3.44Å; F76-F99 VanDerWaalsContact CB-CD1 3.44Å; F76-F99 HydrophobicContact CB-CE1 3.6Å; F76-F99 HydrophobicContact CB-CG 4.02Å; F76-F99 HydrophobicContact CB-CZ 4.29Å; F76-F99 HydrophobicContact CD1-CB 3.79Å; F76-F99 HydrophobicContact CD1-CD1 4.11Å; F76-F99 HydrophobicContact CD1-CD2 4.23Å; F76-F99 AromaticContact CD1-CG 3.8Å; F76-F99 HydrophobicContact CD1-CG 3.8Å; F76-F99 AromaticContact CD2-CD1 3.81Å; F76-F99 HydrophobicContact CD2-CD1 3.81Å; F76-F99 AromaticContact CD2-CD2 3.55Å; F76-F99 HydrophobicContact CD2-CD2 3.55Å; F76-F99 AromaticContact CD2-CE1 3.72Å; F76-F99 HydrophobicContact CD2-CE1 3.72Å; F76-F99 AromaticContact CD2-CE2 3.44Å; F76-F99 HydrophobicContact CD2-CE2 3.44Å; F76-F99 VanDerWaalsContact CD2-CE2 3.44Å; F76-F99 AromaticContact CD2-CG 3.72Å; F76-F99 HydrophobicContact CD2-CG 3.72Å; F76-F99 AromaticContact CD2-CZ 3.52Å; F76-F99 HydrophobicContact CD2-CZ 3.52Å; F76-F99 HydrophobicContact CE1-CB 4.07Å; F76-F99 HydrophobicContact CE1-CD2 4.26Å; F76-F99 HydrophobicContact CE1-CG 4.19Å; F76-F99 AromaticContact CE2-CD2 3.59Å; F76-F99 HydrophobicContact CE2-CD2 3.59Å; F76-F99 AromaticContact CE2-CE2 3.62Å; F76-F99 HydrophobicContact CE2-CE2 3.62Å; F76-F99 HydrophobicContact CE2-CG 4.13Å; F76-F99 HydrophobicContact CE2-CZ 4.17Å; F76-F99 HydrophobicContact CG-CB 4.07Å; F76-F99 AromaticContact CG-CD1 3.51Å; F76-F99 HydrophobicContact CG-CD1 3.51Å; F76-F99 AromaticContact CG-CD2 3.9Å; F76-F99 HydrophobicContact CG-CD2 3.9Å; F76-F99 AromaticContact CG-CE1 3.8Å; F76-F99 HydrophobicContact CG-CE1 3.8Å; F76-F99 HydrophobicContact CG-CE2 4.15Å; F76-F99 AromaticContact CG-CG 3.55Å; F76-F99 HydrophobicContact CG-CG 3.55Å; F76-F99 HydrophobicContact CG-CZ 4.09Å; F76-F99 AromaticContact CZ-CD2 3.96Å; F76-F99 HydrophobicContact CZ-CD2 3.96Å; F76-F99 HydrophobicContact CZ-CE2 4.42Å; F76-F99 HydrophobicContact CZ-CG 4.34Å |
| 77 | N | 98.5 | Very high | 98.2 | Very high | 73 Ų | 73 | 54.4 Ų | 54.4 | 39% | 0.39 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 171.6 | -83.1 | -38.8 | 0 | 0 | 0 | 112.4 | E73 L75 L79 G80 Y81 | E73-N77 WeakPolarHBondContact CG-ND2 3.33Å; E73-N77 VanDerWaalsContact O-CB 3.24Å; E73-N77 WeakPolarHBondContact O-CB 3.29Å; E73-N77 PolarHBondContact O-N 2.84Å; E73-N77 PolarHBondContact O-ND2 3.09Å; L75-N77 VanDerWaalsContact C-N 3.32Å; L75-N77 PolarHBondContact O-N 3.2Å; N77-L79 VanDerWaalsContact C-N 3.25Å; N77-L79 PolarHBondContact O-N 3.22Å; N77-G80 PolarHBondContact O-N 3.25Å; N77-G80 VanDerWaalsContact O-N 3.09Å; N77-Y81 PolarHBondContact OD1-O 3.02Å |
| 78 | Q | 98.4 | Very high | 98.2 | Very high | 136 Ų | 136 | 54.7 Ų | 54.7 | 64% | 0.636 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -62.8 | -33.8 | 176.5 | -71.7 | 171.2 | -3.2 | 0 | 0 | 112.2 | K74 L75 F76 G80 | K74-Q78 VanDerWaalsContact O-CG 3.28Å; K74-Q78 WeakPolarHBondContact O-CG 3.2Å; K74-Q78 PolarHBondContact O-N 3.44Å; K74-Q78 VanDerWaalsContact O-N 3.16Å; L75-Q78 WeakPolarHBondContact O-CB 3.46Å; L75-Q78 PolarHBondContact O-N 2.86Å; F76-Q78 PolarHBondContact O-N 2.88Å; Q78-G80 PolarHBondContact O-N 2.94Å |
| 79 | L | 98.6 | Very high | 97.9 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 36% | 0.356 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 3.6 | 176.5 | -60.5 | 176.6 | 0 | 0 | 0 | 113.4 | V51 L75 F76 N77 Y81 | V51-L79 HydrophobicContact CG2-CD1 3.9Å; V51-L79 HydrophobicContact CG2-CD2 4.14Å; L75-L79 HydrophobicContact CD1-CD1 3.94Å; L75-L79 HydrophobicContact CD1-CG 4.17Å; L75-L79 HydrophobicContact CG-CD1 3.93Å; L75-L79 HydrophobicContact CG-CG 4.46Å; L75-L79 WeakPolarHBondContact O-CG 3.35Å; L75-L79 PolarHBondContact O-N 3.17Å; F76-L79 CarbonylContact O-C 3.57Å; F76-L79 PolarHBondContact O-N 3.06Å; N77-L79 VanDerWaalsContact C-N 3.25Å; N77-L79 PolarHBondContact O-N 3.22Å; L79-Y81 HydrophobicContact CB-CD2 3.66Å; L79-Y81 HydrophobicContact CB-CE2 3.66Å; L79-Y81 WeakPolarHBondContact O-CD2 3.5Å; L79-Y81 WeakPolarHBondContact O-CE2 3.39Å |
| 80 | G | 98.6 | Very high | 97.6 | Very high | 39 Ų | 39 | 55.1 Ų | 55.1 | 40% | 0.402 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 21.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | F76 N77 Q78 A102 | F76-G80 PolarHBondContact O-N 3.39Å; N77-G80 PolarHBondContact O-N 3.25Å; N77-G80 VanDerWaalsContact O-N 3.09Å; Q78-G80 PolarHBondContact O-N 2.94Å; G80-A102 WeakPolarHBondContact O-CB 3.28Å; G80-A102 PolarHBondContact O-N 2.8Å |
| 81 | Y | 98.9 | Very high | 97 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 159 | 176 | -63.7 | -112.5 | 0 | 0 | 0 | 111.4 | D54 A55 F58 F76 N77 L79 F99 W100 K101 | D54-Y81 PolarHBondContact OD1-OH 2.79Å; A55-Y81 WeakPolarHBondContact O-CE1 3.19Å; A55-Y81 PolarHBondContact O-OH 2.85Å; F58-Y81 AromaticContact CD2-CE1 3.91Å; F58-Y81 HydrophobicContact CD2-CE1 3.91Å; F58-Y81 HydrophobicContact CE2-CE1 4.15Å; F76-Y81 AromaticContact CD1-CD1 3.93Å; F76-Y81 HydrophobicContact CD1-CD1 3.93Å; F76-Y81 AromaticContact CD1-CD2 3.89Å; F76-Y81 HydrophobicContact CD1-CD2 3.89Å; F76-Y81 HydrophobicContact CD1-CE1 4.37Å; F76-Y81 HydrophobicContact CD1-CE2 4.34Å; F76-Y81 AromaticContact CD1-CG 3.69Å; F76-Y81 HydrophobicContact CD1-CG 3.69Å; F76-Y81 HydrophobicContact CE1-CD1 4.37Å; F76-Y81 HydrophobicContact CE1-CE1 4.42Å; F76-Y81 WeakPolarHBondContact O-CA 3.48Å; F76-Y81 WeakPolarHBondContact O-CB 3.4Å; F76-Y81 WeakPolarHBondContact O-CD2 3.5Å; F76-Y81 PolarHBondContact O-N 3.4Å; N77-Y81 PolarHBondContact OD1-O 3.02Å; L79-Y81 HydrophobicContact CB-CD2 3.66Å; L79-Y81 HydrophobicContact CB-CE2 3.66Å; L79-Y81 WeakPolarHBondContact O-CD2 3.5Å; L79-Y81 WeakPolarHBondContact O-CE2 3.39Å; Y81-F99 HydrophobicContact CD1-CB 4.12Å; Y81-W100 CarbonylContact C-O 3.56Å; Y81-W100 WeakPolarHBondContact CA-O 3.43Å; Y81-W100 WeakPolarHBondContact CB-O 3.17Å; Y81-W100 VanDerWaalsContact CD1-C 3.41Å; Y81-K101 HydrophobicContact CD1-CG 3.93Å; Y81-K101 HydrophobicContact CD2-CG 4.36Å; Y81-K101 HydrophobicContact CE1-CB 4.49Å; Y81-K101 HydrophobicContact CE1-CG 3.47Å; Y81-K101 VanDerWaalsContact CE1-CG 3.47Å; Y81-K101 HydrophobicContact CE2-CG 3.95Å; Y81-K101 HydrophobicContact CG-CG 4.34Å; Y81-K101 VanDerWaalsContact CZ-CG 3.49Å; Y81-K101 WeakPolarHBondContact OH-CE 3.49Å |
| 82 | K | 98.7 | Very high | 96.6 | Very high | 114 Ų | 114 | 60.7 Ų | 60.7 | 50% | 0.496 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 158.8 | 156.6 | -63.9 | -59.7 | -179 | -172.9 | 0 | 108.7 | F99 W100 A102 | K82-F99 CarbonylContact O-C 3.5Å; K82-F99 WeakPolarHBondContact O-CA 3.12Å; K82-W100 HydrophobicContact CB-CD2 4.46Å; K82-W100 HydrophobicContact CB-CZ2 3.78Å; K82-W100 PolarHBondContact N-O 2.87Å; K82-W100 PolarHBondContact O-N 2.82Å; K82-A102 HydrophobicContact CG-CB 4.11Å |
| 83 | G | 98.4 | Very high | 96.4 | Very high | 27 Ų | 27 | 61.5 Ų | 61.5 | 28% | 0.278 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 157 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T98 F99 | G83-T98 CarbonylContact C-O 3.56Å; G83-T98 VanDerWaalsContact CA-O 3.27Å; G83-T98 WeakPolarHBondContact CA-O 3.05Å; G83-F99 VanDerWaalsContact CA-CD1 3.46Å |
| 84 | A | 98.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 58.4 Ų | 58.4 | 7% | 0.074 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 145.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | A97 T98 W100 I110 L129 V131 | A84-A97 CarbonylContact O-C 3.59Å; A84-A97 VanDerWaalsContact O-CA 3.25Å; A84-A97 WeakPolarHBondContact O-CA 3.21Å; A84-T98 PolarHBondContact N-O 2.94Å; A84-T98 PolarHBondContact O-N 3.31Å; A84-W100 HydrophobicContact CB-CH2 4.09Å; A84-W100 HydrophobicContact CB-CZ3 4.07Å; A84-I110 HydrophobicContact CB-CD1 3.62Å; A84-I110 HydrophobicContact CB-CG1 4.41Å; A84-L129 HydrophobicContact CB-CD1 4.46Å; A84-L129 HydrophobicContact CB-CD2 4.25Å; A84-L129 WeakPolarHBondContact O-CD2 3.15Å; A84-V131 HydrophobicContact CB-CG1 4.31Å |
| 85 | Y | 98.7 | Very high | 96.4 | Very high | 45 Ų | 45 | 52.7 Ų | 52.7 | 18% | 0.176 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 137.1 | 178.3 | 170.4 | -108.4 | 0 | 0 | 0 | 110.7 | V63 A65 F68 R87 G95 C96 A97 | V63-Y85 HydrophobicContact CB-CD2 4.41Å; V63-Y85 HydrophobicContact CB-CE2 4.01Å; V63-Y85 HydrophobicContact CG1-CD2 4.4Å; V63-Y85 HydrophobicContact CG1-CE2 4.17Å; V63-Y85 PolarHBondContact O-OH 2.96Å; A65-Y85 WeakPolarHBondContact CA-OH 3.24Å; A65-Y85 HydrophobicContact CB-CE1 4.33Å; A65-Y85 WeakPolarHBondContact CB-OH 3.46Å; F68-Y85 HydrophobicContact CB-CD1 4.42Å; F68-Y85 HydrophobicContact CB-CE1 4.48Å; F68-Y85 HydrophobicContact CD1-CD1 4.05Å; F68-Y85 HydrophobicContact CD1-CG 4.11Å; F68-Y85 HydrophobicContact CD2-CD1 4.39Å; F68-Y85 AromaticContact CD2-CD2 3.92Å; F68-Y85 HydrophobicContact CD2-CD2 3.92Å; F68-Y85 AromaticContact CD2-CG 3.78Å; F68-Y85 HydrophobicContact CD2-CG 3.78Å; F68-Y85 HydrophobicContact CE1-CG 4.29Å; F68-Y85 VanDerWaalsContact CE2-CB 3.43Å; F68-Y85 HydrophobicContact CE2-CD2 4.26Å; F68-Y85 AromaticContact CE2-CG 3.96Å; F68-Y85 HydrophobicContact CE2-CG 3.96Å; F68-Y85 HydrophobicContact CG-CD1 4Å; F68-Y85 HydrophobicContact CG-CD2 4.3Å; F68-Y85 AromaticContact CG-CG 3.87Å; F68-Y85 HydrophobicContact CG-CG 3.87Å; F68-Y85 HydrophobicContact CZ-CG 4.22Å; Y85-R87 HydrophobicContact CE1-CB 3.85Å; Y85-G95 PolarHBondContact OH-N 3.49Å; Y85-C96 WeakPolarHBondContact CA-O 3.31Å; Y85-C96 VanDerWaalsContact CD2-O 3.31Å; Y85-C96 WeakPolarHBondContact CD2-O 3.13Å; Y85-A97 HydrophobicContact CD2-CB 4.09Å |
| 86 | K | 98.2 | Very high | 96.4 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 13% | 0.126 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 112.3 | 170.4 | 177.3 | 53.6 | 169.3 | -160.8 | 0 | 109.4 | G95 C96 E112 E114 I127 L129 | K86-G95 CarbonylContact O-C 3.48Å; K86-G95 WeakPolarHBondContact O-CA 3.25Å; K86-C96 PolarHBondContact N-O 3.46Å; K86-C96 PolarHBondContact O-N 2.88Å; K86-E112 HydrophobicContact CB-CG 4.24Å; K86-E112 HydrophobicContact CD-CB 4.19Å; K86-E112 HydrophobicContact CD-CG 4.06Å; K86-E112 VanDerWaalsContact CD-OE2 3.3Å; K86-E112 WeakPolarHBondContact CD-OE2 3.24Å; K86-E112 WeakPolarHBondContact CE-OE2 3.24Å; K86-E112 HydrophobicContact CG-CB 4.22Å; K86-E112 HydrophobicContact CG-CG 4.17Å; K86-E112 IonicContact NZ-OE2 2.72Å; K86-E112 PolarHBondContact NZ-OE2 3.04Å; K86-E114 VanDerWaalsContact CE-OE1 3.28Å; K86-E114 WeakPolarHBondContact CE-OE1 3.23Å; K86-E114 IonicContact NZ-OE1 2.7Å; K86-E114 PolarHBondContact NZ-OE1 2.85Å; K86-I127 HydrophobicContact CB-CD1 4.06Å; K86-I127 HydrophobicContact CG-CB 4.15Å; K86-I127 HydrophobicContact CG-CD1 3.96Å; K86-I127 HydrophobicContact CG-CG1 4Å; K86-I127 HydrophobicContact CG-CG2 4.3Å; K86-I127 WeakPolarHBondContact O-CD1 3.18Å; K86-L129 HydrophobicContact CB-CD1 4.23Å |
| 87 | R | 97.8 | Very high | 96.4 | Very high | 104 Ų | 104 | 51.6 Ų | 51.6 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 142.7 | 167.6 | -165.6 | -178.9 | 176.3 | 167 | 0.5 | 110.3 | A65 Y85 K92 | A65-R87 HydrophobicContact CB-CG 4.09Å; Y85-R87 HydrophobicContact CE1-CB 3.85Å; R87-K92 PolarHBondContact NE-O 2.98Å; R87-K92 PolarHBondContact NH2-O 2.92Å |
| 88 | K | 97 | Very high | 96.4 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 9% | 0.087 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -55.6 | 153.2 | 165.3 | -76.1 | 177.9 | -178.5 | 161.9 | 0 | 110.2 | K92 D94 D125 I127 H157 | K88-K92 HydrophobicContact CB-CB 3.61Å; K88-K92 HydrophobicContact CB-CG 4.09Å; K88-K92 HydrophobicContact CD-CB 4.41Å; K88-D94 VanDerWaalsContact CB-O 3.31Å; K88-D94 WeakPolarHBondContact CB-O 3.28Å; K88-D94 VanDerWaalsContact CE-OD2 3.29Å; K88-D94 WeakPolarHBondContact CE-OD2 3.44Å; K88-D94 PolarHBondContact N-O 3.2Å; K88-D94 IonicContact NZ-OD1 2.94Å; K88-D94 IonicContact NZ-OD2 3.21Å; K88-D94 PolarHBondContact NZ-OD2 3.39Å; K88-D125 WeakPolarHBondContact CA-O 3.37Å; K88-D125 WeakPolarHBondContact CB-O 3.28Å; K88-D125 WeakPolarHBondContact CG-O 3.45Å; K88-I127 HydrophobicContact CG-CG1 4.14Å; K88-H157 PolarHBondContact NZ-CE1 2.99Å; K88-H157 PolarHBondContact NZ-ND1 3.33Å |
| 89 | T | 92.9 | Very high | 96.4 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 9% | 0.086 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -70 | 173.4 | -176.6 | 60.1 | 0 | 0 | 0 | 0 | 112.1 | E114 F116 D125 I127 | T89-E114 HydrophobicContact CG2-CB 3.9Å; T89-E114 VanDerWaalsContact CG2-CD 3.46Å; T89-E114 HydrophobicContact CG2-CG 3.61Å; T89-F116 HydrophobicContact CG2-CB 4.48Å; T89-D125 PolarHBondContact N-O 2.9Å; T89-D125 WeakPolarHBondContact OG1-CA 3.47Å; T89-D125 WeakPolarHBondContact OG1-CB 3.32Å; T89-D125 PolarHBondContact OG1-O 3.22Å; T89-D125 PolarHBondContact OG1-OD1 3.31Å; T89-I127 HydrophobicContact CG2-CG2 4.28Å |
| 90 | K | 88.3 | Confident | 96.4 | Very high | 117 Ų | 117 | 38.8 Ų | 38.8 | 51% | 0.509 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | -136.2 | -175.4 | -56.4 | -173.9 | -168.7 | 119.6 | 0 | 111.4 | F116 V123 D125 | K90-F116 VanDerWaalsContact NZ-CE2 3.34Å; K90-V123 PolarHBondContact NZ-O 3.49Å; K90-D125 WeakPolarHBondContact CD-OD1 3.39Å; K90-D125 WeakPolarHBondContact CE-OD1 3.28Å; K90-D125 WeakPolarHBondContact CG-OD1 3.38Å; K90-D125 IonicContact NZ-OD1 3.3Å; K90-D125 PolarHBondContact NZ-OD1 3.06Å; K90-D125 IonicContact NZ-OD2 2.65Å |
| 91 | L | 85.1 | Confident | 96.4 | Very high | 163 Ų | 163 | 38.1 Ų | 38.1 | 85% | 0.853 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | 19.9 | -174.5 | -61.9 | 175.5 | 0 | 0 | 0 | 112.6 | ||
| 92 | K | 90 | Very high | 96.4 | Very high | 100 Ų | 100 | 40 Ų | 40 | 44% | 0.435 | 20% | 0.199 | S | C | . | . | trans | -62.5 | 137.6 | 176.2 | -67.6 | -61 | -174.5 | 176.4 | 0 | 110.1 | R87 K88 D94 D125 | R87-K92 PolarHBondContact NE-O 2.98Å; R87-K92 PolarHBondContact NH2-O 2.92Å; K88-K92 HydrophobicContact CB-CB 3.61Å; K88-K92 HydrophobicContact CB-CG 4.09Å; K88-K92 HydrophobicContact CD-CB 4.41Å; K92-D94 VanDerWaalsContact C-N 3.27Å; K92-D94 PolarHBondContact O-N 3.14Å; K92-D125 VanDerWaalsContact CE-OD2 3.28Å; K92-D125 WeakPolarHBondContact CE-OD2 3.44Å; K92-D125 HydrophobicContact CG-CB 3.68Å | ||
| 93 | A | 94 | Very high | 96.3 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 16% | 0.157 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -74.5 | -20.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D20 Q64 A65 | D20-A93 HydrophobicContact CB-CB 3.84Å; Q64-A93 HydrophobicContact CG-CB 4.41Å; A65-A93 VanDerWaalsContact CB-O 3.29Å; A65-A93 WeakPolarHBondContact CB-O 3.45Å; A65-A93 PolarHBondContact N-O 3.15Å |
| 94 | D | 97.5 | Very high | 96.2 | Very high | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 173.6 | -166.7 | 69.2 | -52.6 | 0 | 0 | 0 | 114.3 | C18 V63 K88 K92 | C18-D94 HydrophobicContact CB-CB 3.7Å; V63-D94 CarbonylContact O-C 3.52Å; V63-D94 VanDerWaalsContact O-CA 3.26Å; V63-D94 WeakPolarHBondContact O-CA 3.2Å; K88-D94 VanDerWaalsContact CB-O 3.31Å; K88-D94 WeakPolarHBondContact CB-O 3.28Å; K88-D94 VanDerWaalsContact CE-OD2 3.29Å; K88-D94 WeakPolarHBondContact CE-OD2 3.44Å; K88-D94 PolarHBondContact N-O 3.2Å; K88-D94 IonicContact NZ-OD1 2.94Å; K88-D94 IonicContact NZ-OD2 3.21Å; K88-D94 PolarHBondContact NZ-OD2 3.39Å; K92-D94 VanDerWaalsContact C-N 3.27Å; K92-D94 PolarHBondContact O-N 3.14Å |
| 95 | G | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | -168 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | E62 V63 Y85 K86 | E62-G95 PolarHBondContact N-O 3.09Å; V63-G95 PolarHBondContact N-O 2.82Å; V63-G95 PolarHBondContact O-N 3.43Å; Y85-G95 PolarHBondContact OH-N 3.49Å; K86-G95 CarbonylContact O-C 3.48Å; K86-G95 WeakPolarHBondContact O-CA 3.25Å |
| 96 | C | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 137.1 | 172.1 | -62.2 | 0 | 0 | 0 | 0 | 109.9 | L60 Y85 K86 I127 L129 | L60-C96 CarbonylContact O-C 3.57Å; L60-C96 VanDerWaalsContact O-CA 3.27Å; L60-C96 WeakPolarHBondContact O-CA 3.49Å; Y85-C96 WeakPolarHBondContact CA-O 3.31Å; Y85-C96 VanDerWaalsContact CD2-O 3.31Å; Y85-C96 WeakPolarHBondContact CD2-O 3.13Å; K86-C96 PolarHBondContact N-O 3.46Å; K86-C96 PolarHBondContact O-N 2.88Å; C96-I127 HydrophobicContact CB-CD1 3.58Å; C96-I127 VanDerWaalsContact SG-CD1 3.58Å; C96-L129 HydrophobicContact CB-CB 4.39Å; C96-L129 WeakPolarHBondContact O-CD2 3.4Å |
| 97 | A | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 145.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | L60 V63 F68 A84 Y85 F99 N155 | L60-A97 HydrophobicContact CB-CB 4.4Å; L60-A97 PolarHBondContact N-O 3.5Å; L60-A97 PolarHBondContact O-N 2.84Å; V63-A97 HydrophobicContact CB-CB 4.48Å; V63-A97 HydrophobicContact CG2-CB 3.95Å; F68-A97 HydrophobicContact CD2-CB 4.44Å; F68-A97 HydrophobicContact CE2-CB 3.97Å; A84-A97 CarbonylContact O-C 3.59Å; A84-A97 VanDerWaalsContact O-CA 3.25Å; A84-A97 WeakPolarHBondContact O-CA 3.21Å; Y85-A97 HydrophobicContact CD2-CB 4.09Å; A97-F99 HydrophobicContact CB-CD2 4.23Å; A97-F99 HydrophobicContact CB-CE2 3.61Å; A97-F99 HydrophobicContact CB-CZ 4.21Å; A97-N155 PolarHBondContact O-ND2 3.04Å |
| 98 | T | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 121.6 | 167.6 | -56 | 0 | 0 | 0 | 0 | 108.7 | I57 F58 G83 A84 W100 V131 | I57-T98 HydrophobicContact CG2-CG2 4.12Å; F58-T98 CarbonylContact O-C 3.57Å; F58-T98 VanDerWaalsContact O-CA 3.24Å; F58-T98 WeakPolarHBondContact O-CA 3.44Å; G83-T98 CarbonylContact C-O 3.56Å; G83-T98 VanDerWaalsContact CA-O 3.27Å; G83-T98 WeakPolarHBondContact CA-O 3.05Å; A84-T98 PolarHBondContact N-O 2.94Å; A84-T98 PolarHBondContact O-N 3.31Å; T98-W100 HydrophobicContact CG2-CE3 4.31Å; T98-W100 VanDerWaalsContact O-CZ3 3.24Å; T98-W100 WeakPolarHBondContact O-CZ3 3.44Å; T98-V131 HydrophobicContact CG2-CG2 3.76Å |
| 99 | F | 98.9 | Very high | 96 | Very high | 1 Ų | 1 | 48.6 Ų | 48.6 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 145.1 | 176.2 | -62.6 | -83.4 | 0 | 0 | 0 | 110.3 | I57 F58 L60 F68 F76 Y81 K82 G83 A97 | I57-F99 CarbonylContact C-O 3.51Å; I57-F99 VanDerWaalsContact CA-O 3.22Å; I57-F99 WeakPolarHBondContact CA-O 3.4Å; I57-F99 WeakPolarHBondContact CG2-O 3.34Å; F58-F99 HydrophobicContact CB-CB 4.34Å; F58-F99 PolarHBondContact N-O 2.78Å; F58-F99 PolarHBondContact O-N 3.16Å; L60-F99 HydrophobicContact CD1-CD2 4.09Å; L60-F99 HydrophobicContact CD1-CE2 3.9Å; F68-F99 HydrophobicContact CD2-CZ 4.35Å; F68-F99 HydrophobicContact CE2-CE1 4.12Å; F68-F99 HydrophobicContact CE2-CE2 4.27Å; F68-F99 AromaticContact CE2-CZ 3.47Å; F68-F99 HydrophobicContact CE2-CZ 3.47Å; F68-F99 VanDerWaalsContact CE2-CZ 3.47Å; F68-F99 HydrophobicContact CZ-CE1 4.32Å; F68-F99 HydrophobicContact CZ-CZ 4.11Å; F76-F99 HydrophobicContact CB-CD1 3.44Å; F76-F99 VanDerWaalsContact CB-CD1 3.44Å; F76-F99 HydrophobicContact CB-CE1 3.6Å; F76-F99 HydrophobicContact CB-CG 4.02Å; F76-F99 HydrophobicContact CB-CZ 4.29Å; F76-F99 HydrophobicContact CD1-CB 3.79Å; F76-F99 HydrophobicContact CD1-CD1 4.11Å; F76-F99 HydrophobicContact CD1-CD2 4.23Å; F76-F99 AromaticContact CD1-CG 3.8Å; F76-F99 HydrophobicContact CD1-CG 3.8Å; F76-F99 AromaticContact CD2-CD1 3.81Å; F76-F99 HydrophobicContact CD2-CD1 3.81Å; F76-F99 AromaticContact CD2-CD2 3.55Å; F76-F99 HydrophobicContact CD2-CD2 3.55Å; F76-F99 AromaticContact CD2-CE1 3.72Å; F76-F99 HydrophobicContact CD2-CE1 3.72Å; F76-F99 AromaticContact CD2-CE2 3.44Å; F76-F99 HydrophobicContact CD2-CE2 3.44Å; F76-F99 VanDerWaalsContact CD2-CE2 3.44Å; F76-F99 AromaticContact CD2-CG 3.72Å; F76-F99 HydrophobicContact CD2-CG 3.72Å; F76-F99 AromaticContact CD2-CZ 3.52Å; F76-F99 HydrophobicContact CD2-CZ 3.52Å; F76-F99 HydrophobicContact CE1-CB 4.07Å; F76-F99 HydrophobicContact CE1-CD2 4.26Å; F76-F99 HydrophobicContact CE1-CG 4.19Å; F76-F99 AromaticContact CE2-CD2 3.59Å; F76-F99 HydrophobicContact CE2-CD2 3.59Å; F76-F99 AromaticContact CE2-CE2 3.62Å; F76-F99 HydrophobicContact CE2-CE2 3.62Å; F76-F99 HydrophobicContact CE2-CG 4.13Å; F76-F99 HydrophobicContact CE2-CZ 4.17Å; F76-F99 HydrophobicContact CG-CB 4.07Å; F76-F99 AromaticContact CG-CD1 3.51Å; F76-F99 HydrophobicContact CG-CD1 3.51Å; F76-F99 AromaticContact CG-CD2 3.9Å; F76-F99 HydrophobicContact CG-CD2 3.9Å; F76-F99 AromaticContact CG-CE1 3.8Å; F76-F99 HydrophobicContact CG-CE1 3.8Å; F76-F99 HydrophobicContact CG-CE2 4.15Å; F76-F99 AromaticContact CG-CG 3.55Å; F76-F99 HydrophobicContact CG-CG 3.55Å; F76-F99 HydrophobicContact CG-CZ 4.09Å; F76-F99 AromaticContact CZ-CD2 3.96Å; F76-F99 HydrophobicContact CZ-CD2 3.96Å; F76-F99 HydrophobicContact CZ-CE2 4.42Å; F76-F99 HydrophobicContact CZ-CG 4.34Å; Y81-F99 HydrophobicContact CD1-CB 4.12Å; K82-F99 CarbonylContact O-C 3.5Å; K82-F99 WeakPolarHBondContact O-CA 3.12Å; G83-F99 VanDerWaalsContact CA-CD1 3.46Å; A97-F99 HydrophobicContact CB-CD2 4.23Å; A97-F99 HydrophobicContact CB-CE2 3.61Å; A97-F99 HydrophobicContact CB-CZ 4.21Å |
| 100 | W | 98.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.027 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 143.8 | 176.7 | 57.8 | 88.6 | 0 | 0 | 0 | 111.3 | D56 I57 Y81 K82 A84 T98 A102 F105 L107 V131 L133 | D56-W100 CarbonylContact O-C 3.59Å; D56-W100 WeakPolarHBondContact O-CA 3.38Å; I57-W100 HydrophobicContact CG1-CB 4.09Å; Y81-W100 CarbonylContact C-O 3.56Å; Y81-W100 WeakPolarHBondContact CA-O 3.43Å; Y81-W100 WeakPolarHBondContact CB-O 3.17Å; Y81-W100 VanDerWaalsContact CD1-C 3.41Å; K82-W100 HydrophobicContact CB-CD2 4.46Å; K82-W100 HydrophobicContact CB-CZ2 3.78Å; K82-W100 PolarHBondContact N-O 2.87Å; K82-W100 PolarHBondContact O-N 2.82Å; A84-W100 HydrophobicContact CB-CH2 4.09Å; A84-W100 HydrophobicContact CB-CZ3 4.07Å; T98-W100 HydrophobicContact CG2-CE3 4.31Å; T98-W100 VanDerWaalsContact O-CZ3 3.24Å; T98-W100 WeakPolarHBondContact O-CZ3 3.44Å; W100-A102 PolarHBondContact O-N 3.28Å; W100-F105 HydrophobicContact CB-CB 4.19Å; W100-F105 HydrophobicContact CB-CD2 4.13Å; W100-F105 HydrophobicContact CB-CG 4.44Å; W100-F105 HydrophobicContact CG-CB 4.14Å; W100-L107 HydrophobicContact CH2-CD1 3.98Å; W100-L107 HydrophobicContact CH2-CD2 4.29Å; W100-L107 HydrophobicContact CZ2-CB 3.78Å; W100-L107 HydrophobicContact CZ2-CD1 4Å; W100-L107 HydrophobicContact CZ2-CD2 4.15Å; W100-L107 HydrophobicContact CZ2-CG 4.19Å; W100-V131 HydrophobicContact CZ3-CG1 4.19Å; W100-L133 HydrophobicContact CB-CD1 3.94Å; W100-L133 HydrophobicContact CD2-CD1 4.27Å; W100-L133 HydrophobicContact CD2-CD2 3.7Å; W100-L133 HydrophobicContact CE3-CD1 4.49Å; W100-L133 HydrophobicContact CE3-CD2 4.09Å; W100-L133 HydrophobicContact CG-CD1 4.04Å; W100-L133 HydrophobicContact CG-CD2 4.01Å; W100-L133 HydrophobicContact CZ2-CD2 4.33Å |
| 101 | K | 98.6 | Very high | 96.7 | Very high | 24 Ų | 24 | 48.5 Ų | 48.5 | 10% | 0.104 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 122.9 | 176.8 | -73 | -170.3 | -173.6 | 165.5 | 0 | 110.9 | D54 D56 Y81 N103 K104 F105 | D54-K101 PolarHBondContact O-NZ 2.8Å; D54-K101 WeakPolarHBondContact OD1-CE 3.37Å; D54-K101 IonicContact OD1-NZ 3.53Å; D54-K101 PolarHBondContact OD1-NZ 3.04Å; D54-K101 IonicContact OD2-NZ 3.47Å; D54-K101 PolarHBondContact OD2-NZ 2.82Å; D56-K101 HydrophobicContact CB-CD 4.47Å; D56-K101 PolarHBondContact O-N 2.67Å; D56-K101 WeakPolarHBondContact OD1-CD 3.47Å; D56-K101 IonicContact OD1-NZ 3.4Å; D56-K101 PolarHBondContact OD1-NZ 2.82Å; Y81-K101 HydrophobicContact CD1-CG 3.93Å; Y81-K101 HydrophobicContact CD2-CG 4.36Å; Y81-K101 HydrophobicContact CE1-CB 4.49Å; Y81-K101 HydrophobicContact CE1-CG 3.47Å; Y81-K101 VanDerWaalsContact CE1-CG 3.47Å; Y81-K101 HydrophobicContact CE2-CG 3.95Å; Y81-K101 HydrophobicContact CG-CG 4.34Å; Y81-K101 VanDerWaalsContact CZ-CG 3.49Å; Y81-K101 WeakPolarHBondContact OH-CE 3.49Å; K101-N103 WeakPolarHBondContact CB-OD1 3.43Å; K101-N103 PolarHBondContact O-N 3.27Å; K101-K104 HydrophobicContact CB-CB 4.42Å; K101-K104 PolarHBondContact O-N 3.35Å; K101-F105 PolarHBondContact O-N 3.1Å |
| 102 | A | 98.1 | Very high | 97.4 | Very high | 43 Ų | 43 | 45.2 Ų | 45.2 | 36% | 0.355 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -21.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | G80 K82 W100 | G80-A102 WeakPolarHBondContact O-CB 3.28Å; G80-A102 PolarHBondContact O-N 2.8Å; K82-A102 HydrophobicContact CG-CB 4.11Å; W100-A102 PolarHBondContact O-N 3.28Å |
| 103 | N | 96.3 | Very high | 97.7 | Very high | 121 Ų | 121 | 40.5 Ų | 40.5 | 65% | 0.647 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -11.8 | 175.8 | 68.7 | -18.6 | 0 | 0 | 0 | 113.7 | K101 | K101-N103 WeakPolarHBondContact CB-OD1 3.43Å; K101-N103 PolarHBondContact O-N 3.27Å |
| 104 | K | 95.7 | Very high | 97.9 | Very high | 64 Ų | 64 | 44.3 Ų | 44.3 | 28% | 0.278 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -24.9 | 179.5 | -72.3 | -172.7 | 176.4 | -172.2 | 0 | 113.3 | D56 K101 L136 | D56-K104 HydrophobicContact CB-CD 3.99Å; D56-K104 WeakPolarHBondContact OD1-CD 3.32Å; D56-K104 VanDerWaalsContact OD1-CE 3.26Å; D56-K104 WeakPolarHBondContact OD1-CE 3.42Å; D56-K104 IonicContact OD1-NZ 2.72Å; D56-K104 PolarHBondContact OD1-NZ 3.16Å; D56-K104 IonicContact OD2-NZ 3.56Å; D56-K104 PolarHBondContact OD2-NZ 3.32Å; K101-K104 HydrophobicContact CB-CB 4.42Å; K101-K104 PolarHBondContact O-N 3.35Å; K104-L136 WeakPolarHBondContact O-CB 3.27Å; K104-L136 PolarHBondContact O-N 3.39Å |
| 105 | F | 97.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.018 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 138.4 | -175.4 | -57.3 | -81.1 | 0 | 0 | 0 | 112.6 | F9 D56 I57 W100 K101 L133 K134 V135 I151 | F9-F105 HydrophobicContact CB-CE2 4.37Å; F9-F105 HydrophobicContact CB-CZ 3.84Å; F9-F105 HydrophobicContact CD1-CZ 4.31Å; F9-F105 AromaticContact CD2-CZ 3.75Å; F9-F105 HydrophobicContact CD2-CZ 3.75Å; F9-F105 HydrophobicContact CE2-CZ 4.4Å; F9-F105 AromaticContact CG-CZ 3.7Å; F9-F105 HydrophobicContact CG-CZ 3.7Å; D56-F105 HydrophobicContact CB-CE2 4.03Å; I57-F105 HydrophobicContact CD1-CD2 4.32Å; I57-F105 HydrophobicContact CD1-CE1 4.11Å; I57-F105 HydrophobicContact CD1-CE2 3.87Å; I57-F105 HydrophobicContact CD1-CZ 3.76Å; I57-F105 HydrophobicContact CG1-CD2 4.11Å; I57-F105 HydrophobicContact CG1-CE2 3.73Å; I57-F105 HydrophobicContact CG1-CZ 4.14Å; W100-F105 HydrophobicContact CB-CB 4.19Å; W100-F105 HydrophobicContact CB-CD2 4.13Å; W100-F105 HydrophobicContact CB-CG 4.44Å; W100-F105 HydrophobicContact CG-CB 4.14Å; K101-F105 PolarHBondContact O-N 3.1Å; F105-L133 HydrophobicContact CB-CB 4.23Å; F105-L133 HydrophobicContact CB-CD1 4.2Å; F105-L133 HydrophobicContact CD1-CB 4.05Å; F105-L133 HydrophobicContact CD1-CD1 4.28Å; F105-L133 HydrophobicContact CG-CB 4.47Å; F105-L133 HydrophobicContact CG-CD1 4.2Å; F105-K134 VanDerWaalsContact CA-O 3.32Å; F105-K134 WeakPolarHBondContact CA-O 3.44Å; F105-V135 HydrophobicContact CD1-CG2 4.31Å; F105-V135 HydrophobicContact CE1-CB 4.45Å; F105-V135 HydrophobicContact CE1-CG1 4.27Å; F105-V135 HydrophobicContact CE1-CG2 3.99Å; F105-I151 HydrophobicContact CE1-CG2 4.32Å |
| 106 | E | 96.9 | Very high | 97.6 | Very high | 99 Ų | 99 | 47 Ų | 47 | 46% | 0.463 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 135.8 | 169.8 | 177.3 | -176.7 | -167.6 | 0 | 0 | 109.3 | V108 L133 K134 L136 | E106-V108 PolarHBondContact O-N 2.92Å; E106-L133 CarbonylContact O-C 3.58Å; E106-L133 WeakPolarHBondContact O-CA 3.46Å; E106-K134 HydrophobicContact CB-CB 4.34Å; E106-K134 PolarHBondContact N-O 3.17Å; E106-K134 PolarHBondContact O-N 3.05Å; E106-K134 IonicContact OE2-NZ 3.47Å; E106-L136 HydrophobicContact CB-CD1 4.46Å; E106-L136 HydrophobicContact CB-CD2 3.9Å; E106-L136 HydrophobicContact CB-CG 4.43Å |
| 107 | L | 98.2 | Very high | 97.3 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 37% | 0.366 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 125.3 | 179.1 | 179 | 66.2 | 0 | 0 | 0 | 110.8 | W100 I110 V131 L133 | W100-L107 HydrophobicContact CH2-CD1 3.98Å; W100-L107 HydrophobicContact CH2-CD2 4.29Å; W100-L107 HydrophobicContact CZ2-CB 3.78Å; W100-L107 HydrophobicContact CZ2-CD1 4Å; W100-L107 HydrophobicContact CZ2-CD2 4.15Å; W100-L107 HydrophobicContact CZ2-CG 4.19Å; L107-I110 HydrophobicContact CD1-CD1 4.3Å; L107-I110 HydrophobicContact CD1-CG1 3.68Å; L107-I110 HydrophobicContact CD2-CD1 3.65Å; L107-I110 HydrophobicContact CD2-CG1 3.82Å; L107-I110 HydrophobicContact CG-CG1 4.27Å; L107-V131 HydrophobicContact CD1-CB 4.47Å; L107-L133 HydrophobicContact CD1-CD2 4Å |
| 108 | V | 96.8 | Very high | 96.8 | Very high | 68 Ų | 68 | 53.2 Ų | 53.2 | 41% | 0.412 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -46.8 | 172.9 | 178.9 | 0 | 0 | 0 | 0 | 110.7 | E106 C132 K134 E150 | E106-V108 PolarHBondContact O-N 2.92Å; V108-C132 HydrophobicContact CB-CB 4.22Å; V108-C132 WeakPolarHBondContact CB-O 3.47Å; V108-C132 PolarHBondContact N-O 2.91Å; V108-K134 HydrophobicContact CG2-CB 3.74Å; V108-E150 HydrophobicContact CG2-CG 4.24Å |
| 109 | K | 97.6 | Very high | 96.2 | Very high | 102 Ų | 102 | 57.4 Ų | 57.4 | 44% | 0.443 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 145.5 | -175.2 | -174.5 | 169.7 | -176.2 | 172.9 | 0 | 111.8 | V131 C132 | K109-V131 WeakPolarHBondContact O-CA 3.32Å; K109-C132 HydrophobicContact CB-CB 4.11Å; K109-C132 PolarHBondContact N-O 3.24Å; K109-C132 PolarHBondContact O-N 3.49Å |
| 110 | I | 98.6 | Very high | 95.7 | Very high | 65 Ų | 65 | 58.8 Ų | 58.8 | 33% | 0.333 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142.4 | 167.4 | -58 | 174.6 | 0 | 0 | 0 | 108.4 | A84 L107 E112 L129 V130 V131 | A84-I110 HydrophobicContact CB-CD1 3.62Å; A84-I110 HydrophobicContact CB-CG1 4.41Å; L107-I110 HydrophobicContact CD1-CD1 4.3Å; L107-I110 HydrophobicContact CD1-CG1 3.68Å; L107-I110 HydrophobicContact CD2-CD1 3.65Å; L107-I110 HydrophobicContact CD2-CG1 3.82Å; L107-I110 HydrophobicContact CG-CG1 4.27Å; I110-E112 HydrophobicContact CG2-CG 4.42Å; I110-L129 HydrophobicContact CG2-CD1 3.8Å; I110-V130 CarbonylContact C-O 3.53Å; I110-V130 WeakPolarHBondContact CA-O 3.01Å; I110-V131 HydrophobicContact CG1-CG1 4.3Å |
| 111 | R | 98.6 | Very high | 94.8 | Very high | 64 Ų | 64 | 62.4 Ų | 62.4 | 24% | 0.242 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 114.6 | 166.6 | 172 | 71.1 | 69.2 | 144.3 | 12.2 | 108.6 | V113 V130 H178 V182 | R111-V113 HydrophobicContact CG-CG2 3.94Å; R111-V130 HydrophobicContact CB-CB 4.15Å; R111-V130 PolarHBondContact N-O 3.36Å; R111-V130 PolarHBondContact O-N 2.88Å; R111-H178 HydrophobicContact CG-CB 4.16Å; R111-V182 HydrophobicContact CB-CG2 3.78Å; R111-V182 HydrophobicContact CG-CG2 4.22Å |
| 112 | E | 98.4 | Very high | 94.2 | Very high | 95 Ų | 95 | 61.4 Ų | 61.4 | 44% | 0.444 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 134.5 | 166.2 | -58.8 | 176 | -174.6 | 0 | 0 | 108.7 | K86 I110 L129 | K86-E112 HydrophobicContact CB-CG 4.24Å; K86-E112 HydrophobicContact CD-CB 4.19Å; K86-E112 HydrophobicContact CD-CG 4.06Å; K86-E112 VanDerWaalsContact CD-OE2 3.3Å; K86-E112 WeakPolarHBondContact CD-OE2 3.24Å; K86-E112 WeakPolarHBondContact CE-OE2 3.24Å; K86-E112 HydrophobicContact CG-CB 4.22Å; K86-E112 HydrophobicContact CG-CG 4.17Å; K86-E112 IonicContact NZ-OE2 2.72Å; K86-E112 PolarHBondContact NZ-OE2 3.04Å; I110-E112 HydrophobicContact CG2-CG 4.42Å; E112-L129 HydrophobicContact CG-CD1 4.39Å |
| 113 | V | 97.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 115 | 178.4 | -174.9 | 0 | 0 | 0 | 0 | 107.8 | R111 Y115 I127 G128 V130 L175 H178 | R111-V113 HydrophobicContact CG-CG2 3.94Å; V113-Y115 HydrophobicContact CB-CE1 4.32Å; V113-Y115 HydrophobicContact CG1-CD1 3.92Å; V113-Y115 HydrophobicContact CG1-CE1 3.59Å; V113-I127 CarbonylContact O-C 3.54Å; V113-I127 WeakPolarHBondContact O-CA 3.18Å; V113-I127 WeakPolarHBondContact O-CB 3.16Å; V113-G128 PolarHBondContact N-O 3.27Å; V113-G128 PolarHBondContact O-N 3.49Å; V113-V130 HydrophobicContact CG2-CG2 4.45Å; V113-L175 HydrophobicContact CG2-CD1 4.26Å; V113-H178 VanDerWaalsContact CG1-CD2 3.42Å; V113-H178 WeakPolarHBondContact CG1-CD2 3.3Å; V113-H178 HydrophobicContact CG2-CB 3.52Å |
| 114 | E | 96.9 | Very high | 93 | Very high | 99 Ų | 99 | 58.5 Ų | 58.5 | 46% | 0.463 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 127.1 | 173.1 | -63.3 | -179.6 | 174.6 | 0 | 0 | 108.4 | K86 T89 I127 | K86-E114 VanDerWaalsContact CE-OE1 3.28Å; K86-E114 WeakPolarHBondContact CE-OE1 3.23Å; K86-E114 IonicContact NZ-OE1 2.7Å; K86-E114 PolarHBondContact NZ-OE1 2.85Å; T89-E114 HydrophobicContact CG2-CB 3.9Å; T89-E114 VanDerWaalsContact CG2-CD 3.46Å; T89-E114 HydrophobicContact CG2-CG 3.61Å; E114-I127 HydrophobicContact CG-CG2 4.33Å |
| 115 | Y | 96.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | trans | -85.9 | -16.2 | 177.6 | -53.7 | -41.1 | 0 | 0 | 0 | 112.7 | V113 M117 L122 N126 I127 G128 T156 L158 Q171 L174 L175 | V113-Y115 HydrophobicContact CB-CE1 4.32Å; V113-Y115 HydrophobicContact CG1-CD1 3.92Å; V113-Y115 HydrophobicContact CG1-CE1 3.59Å; Y115-M117 PolarHBondContact O-N 2.84Å; Y115-L122 WeakPolarHBondContact O-CB 3.18Å; Y115-N126 WeakPolarHBondContact CB-O 3.36Å; Y115-N126 HydrophobicContact CD2-CB 3.62Å; Y115-N126 WeakPolarHBondContact CD2-O 3.42Å; Y115-N126 HydrophobicContact CE2-CB 4.14Å; Y115-N126 PolarHBondContact N-O 2.91Å; Y115-I127 WeakPolarHBondContact CE2-O 3.22Å; Y115-I127 PolarHBondContact OH-O 3.41Å; Y115-G128 WeakPolarHBondContact OH-CA 3.44Å; Y115-G128 PolarHBondContact OH-N 3.29Å; Y115-T156 PolarHBondContact OH-OG1 2.95Å; Y115-L158 HydrophobicContact CE2-CD2 4.18Å; Y115-Q171 HydrophobicContact CD1-CB 4.34Å; Y115-Q171 HydrophobicContact CD2-CB 3.79Å; Y115-Q171 HydrophobicContact CD2-CG 3.61Å; Y115-Q171 WeakPolarHBondContact CE1-O 3.5Å; Y115-Q171 HydrophobicContact CE2-CB 4.01Å; Y115-Q171 HydrophobicContact CE2-CG 4.3Å; Y115-Q171 HydrophobicContact CG-CB 4Å; Y115-Q171 HydrophobicContact CG-CG 3.77Å; Y115-L174 HydrophobicContact CD1-CB 4.12Å; Y115-L174 HydrophobicContact CD1-CD1 4.15Å; Y115-L174 HydrophobicContact CE1-CB 4.41Å; Y115-L175 HydrophobicContact CE1-CB 4.09Å | ||
| 116 | F | 94.3 | Very high | 92.9 | Very high | 60 Ų | 60 | 57 Ų | 57 | 26% | 0.263 | 32% | 0.322 | S | S | . | . | trans | -65.9 | 118.1 | 176.1 | -179.1 | -114.8 | 0 | 0 | 0 | 110.2 | T89 K90 P118 V123 C124 | T89-F116 HydrophobicContact CG2-CB 4.48Å; K90-F116 VanDerWaalsContact NZ-CE2 3.34Å; F116-P118 HydrophobicContact CD1-CG 4.18Å; F116-P118 HydrophobicContact CE1-CG 3.61Å; F116-P118 HydrophobicContact CZ-CG 4.09Å; F116-V123 HydrophobicContact CE2-CB 4.36Å; F116-C124 VanDerWaalsContact CA-O 3.3Å; F116-C124 WeakPolarHBondContact CA-O 3.47Å; F116-C124 VanDerWaalsContact CB-O 3.32Å; F116-C124 WeakPolarHBondContact CB-O 3.21Å; F116-C124 PolarHBondContact N-O 3.42Å | ||
| 117 | M | 91 | Very high | 92.9 | Very high | 34 Ų | 34 | 52.3 Ų | 52.3 | 17% | 0.167 | 30% | 0.3 | C | S | . | . | trans | -126.7 | 99.8 | 178.1 | -165 | 178.6 | -65.5 | 0 | 0 | 109.6 | Y115 G119 T120 L122 L174 P243 A245 A246 | Y115-M117 PolarHBondContact O-N 2.84Å; M117-G119 PolarHBondContact O-N 2.76Å; M117-T120 HydrophobicContact CB-CG2 4.23Å; M117-T120 HydrophobicContact CG-CG2 3.82Å; M117-T120 PolarHBondContact O-N 2.84Å; M117-T120 PolarHBondContact O-OG1 2.99Å; M117-T120 HydrophobicContact SD-CG2 3.9Å; M117-L122 HydrophobicContact CB-CB 4.19Å; M117-L122 PolarHBondContact N-O 2.9Å; M117-L174 HydrophobicContact CE-CD2 4.26Å; M117-P243 HydrophobicContact CE-CG 4.43Å; M117-P243 HydrophobicContact SD-CB 4.38Å; M117-P243 HydrophobicContact SD-CG 3.55Å; M117-P243 VanDerWaalsContact SD-CG 3.55Å; M117-A245 HydrophobicContact CG-CB 4.47Å; M117-A245 HydrophobicContact SD-CB 3.65Å; M117-A246 HydrophobicContact CE-CB 3.79Å; M117-A246 HydrophobicContact SD-CB 4.37Å | ||
| 118 | P | 88.4 | Confident | 92.9 | Very high | 96 Ų | 96 | 49 Ų | 49 | 62% | 0.623 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 138.4 | -178.3 | -25.2 | 31 | 0 | 0 | 0 | 112.9 | F116 T120 | F116-P118 HydrophobicContact CD1-CG 4.18Å; F116-P118 HydrophobicContact CE1-CG 3.61Å; F116-P118 HydrophobicContact CZ-CG 4.09Å; P118-T120 VanDerWaalsContact C-N 3.29Å; P118-T120 PolarHBondContact O-N 2.81Å |
| 119 | G | 87.3 | Confident | 93 | Very high | 88 Ų | 88 | 45.8 Ų | 45.8 | 91% | 0.907 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 5.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | M117 | M117-G119 PolarHBondContact O-N 2.76Š|
| 120 | T | 88.4 | Confident | 93.1 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 18% | 0.184 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -119 | 179.2 | 177.9 | 78.1 | 0 | 0 | 0 | 0 | 111.6 | M117 P118 L122 V123 P243 A245 | M117-T120 HydrophobicContact CB-CG2 4.23Å; M117-T120 HydrophobicContact CG-CG2 3.82Å; M117-T120 PolarHBondContact O-N 2.84Å; M117-T120 PolarHBondContact O-OG1 2.99Å; M117-T120 HydrophobicContact SD-CG2 3.9Å; P118-T120 VanDerWaalsContact C-N 3.29Å; P118-T120 PolarHBondContact O-N 2.81Å; T120-L122 PolarHBondContact O-N 3.48Å; T120-L122 PolarHBondContact OG1-N 2.85Å; T120-L122 VanDerWaalsContact OG1-N 3.08Å; T120-V123 WeakPolarHBondContact O-CG1 3.47Å; T120-P243 HydrophobicContact CG2-CB 3.6Å; T120-P243 HydrophobicContact CG2-CG 3.87Å; T120-A245 HydrophobicContact CG2-CB 4.47Å |
| 121 | S | 80 | Confident | 93.1 | Very high | 83 Ų | 83 | 37.8 Ų | 37.8 | 58% | 0.58 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -67.4 | -15.8 | 171 | 52 | 0 | 0 | 0 | 0 | 113.4 | V123 | S121-V123 VanDerWaalsContact C-N 3.3Å; S121-V123 PolarHBondContact O-N 2.93Å |
| 122 | L | 86.2 | Confident | 93.1 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | trans | -84.7 | 69.5 | -179.8 | -60.6 | 172.7 | 0 | 0 | 0 | 111.4 | Y115 M117 T120 C124 V167 C170 L174 P243 | Y115-L122 WeakPolarHBondContact O-CB 3.18Å; M117-L122 HydrophobicContact CB-CB 4.19Å; M117-L122 PolarHBondContact N-O 2.9Å; T120-L122 PolarHBondContact O-N 3.48Å; T120-L122 PolarHBondContact OG1-N 2.85Å; T120-L122 VanDerWaalsContact OG1-N 3.08Å; L122-C124 VanDerWaalsContact C-N 3.32Å; L122-V167 HydrophobicContact CD2-CG1 4.16Å; L122-C170 HydrophobicContact CD1-CB 4.28Å; L122-C170 HydrophobicContact CD2-CB 3.37Å; L122-C170 HydrophobicContact CG-CB 4.38Å; L122-L174 HydrophobicContact CD1-CD1 3.76Å; L122-P243 HydrophobicContact CD1-CG 3.89Å | ||
| 123 | V | 80.8 | Confident | 93 | Very high | 87 Ų | 87 | 30.4 Ų | 30.4 | 53% | 0.527 | 19% | 0.194 | S | C | . | . | trans | -91.8 | 10.2 | 180 | -64.8 | 0 | 0 | 0 | 0 | 113.9 | K90 F116 T120 S121 | K90-V123 PolarHBondContact NZ-O 3.49Å; F116-V123 HydrophobicContact CE2-CB 4.36Å; T120-V123 WeakPolarHBondContact O-CG1 3.47Å; S121-V123 VanDerWaalsContact C-N 3.3Å; S121-V123 PolarHBondContact O-N 2.93Å | ||
| 124 | C | 88 | Confident | 92.9 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 12% | 0.115 | 21% | 0.212 | C | C | . | . | trans | -86.1 | 142.5 | -174.8 | -58.7 | 0 | 0 | 0 | 0 | 112.6 | F116 L122 N126 V167 | F116-C124 VanDerWaalsContact CA-O 3.3Å; F116-C124 WeakPolarHBondContact CA-O 3.47Å; F116-C124 VanDerWaalsContact CB-O 3.32Å; F116-C124 WeakPolarHBondContact CB-O 3.21Å; F116-C124 PolarHBondContact N-O 3.42Å; L122-C124 VanDerWaalsContact C-N 3.32Å; C124-N126 VanDerWaalsContact C-N 3.32Å; C124-N126 PolarHBondContact O-N 3.2Å; C124-V167 VanDerWaalsContact SG-CG1 3.57Å | ||
| 125 | D | 92.9 | Very high | 92.7 | Very high | 23 Ų | 23 | 30.2 Ų | 30.2 | 12% | 0.123 | 19% | 0.192 | C | C | . | . | trans | -89.1 | 2.9 | -173.1 | -59.2 | -48.9 | 0 | 0 | 0 | 114.6 | K88 T89 K90 K92 | K88-D125 WeakPolarHBondContact CA-O 3.37Å; K88-D125 WeakPolarHBondContact CB-O 3.28Å; K88-D125 WeakPolarHBondContact CG-O 3.45Å; T89-D125 PolarHBondContact N-O 2.9Å; T89-D125 WeakPolarHBondContact OG1-CA 3.47Å; T89-D125 WeakPolarHBondContact OG1-CB 3.32Å; T89-D125 PolarHBondContact OG1-O 3.22Å; T89-D125 PolarHBondContact OG1-OD1 3.31Å; K90-D125 WeakPolarHBondContact CD-OD1 3.39Å; K90-D125 WeakPolarHBondContact CE-OD1 3.28Å; K90-D125 WeakPolarHBondContact CG-OD1 3.38Å; K90-D125 IonicContact NZ-OD1 3.3Å; K90-D125 PolarHBondContact NZ-OD1 3.06Å; K90-D125 IonicContact NZ-OD2 2.65Å; K92-D125 VanDerWaalsContact CE-OD2 3.28Å; K92-D125 WeakPolarHBondContact CE-OD2 3.44Å; K92-D125 HydrophobicContact CG-CB 3.68Å | ||
| 126 | N | 97 | Very high | 92.4 | Very high | 14 Ų | 14 | 33 Ų | 33 | 8% | 0.075 | 21% | 0.206 | C | C | . | . | trans | -64 | 157.1 | -179.4 | -61.7 | 90.1 | 0 | 0 | 0 | 111.3 | Y115 C124 H157 L158 Q171 | Y115-N126 WeakPolarHBondContact CB-O 3.36Å; Y115-N126 HydrophobicContact CD2-CB 3.62Å; Y115-N126 WeakPolarHBondContact CD2-O 3.42Å; Y115-N126 HydrophobicContact CE2-CB 4.14Å; Y115-N126 PolarHBondContact N-O 2.91Å; C124-N126 VanDerWaalsContact C-N 3.32Å; C124-N126 PolarHBondContact O-N 3.2Å; N126-H157 WeakPolarHBondContact CB-O 3.49Å; N126-H157 PolarHBondContact ND2-O 2.91Å; N126-L158 VanDerWaalsContact ND2-C 3.29Å; N126-L158 PolarHBondContact ND2-O 3.32Å; N126-L158 VanDerWaalsContact ND2-O 3.07Å; N126-Q171 PolarHBondContact OD1-NE2 3.29Å | ||
| 127 | I | 98.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 163.7 | -175.3 | 59.4 | 82.7 | 0 | 0 | 0 | 111.2 | K86 K88 T89 C96 V113 E114 Y115 T156 | K86-I127 HydrophobicContact CB-CD1 4.06Å; K86-I127 HydrophobicContact CG-CB 4.15Å; K86-I127 HydrophobicContact CG-CD1 3.96Å; K86-I127 HydrophobicContact CG-CG1 4Å; K86-I127 HydrophobicContact CG-CG2 4.3Å; K86-I127 WeakPolarHBondContact O-CD1 3.18Å; K88-I127 HydrophobicContact CG-CG1 4.14Å; T89-I127 HydrophobicContact CG2-CG2 4.28Å; C96-I127 HydrophobicContact CB-CD1 3.58Å; C96-I127 VanDerWaalsContact SG-CD1 3.58Å; V113-I127 CarbonylContact O-C 3.54Å; V113-I127 WeakPolarHBondContact O-CA 3.18Å; V113-I127 WeakPolarHBondContact O-CB 3.16Å; E114-I127 HydrophobicContact CG-CG2 4.33Å; Y115-I127 WeakPolarHBondContact CE2-O 3.22Å; Y115-I127 PolarHBondContact OH-O 3.41Å; I127-T156 PolarHBondContact O-OG1 3.44Å |
| 128 | G | 98.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 145.6 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | V113 Y115 N155 | V113-G128 PolarHBondContact N-O 3.27Å; V113-G128 PolarHBondContact O-N 3.49Å; Y115-G128 WeakPolarHBondContact OH-CA 3.44Å; Y115-G128 PolarHBondContact OH-N 3.29Å; G128-N155 CarbonylContact C-O 3.56Å; G128-N155 WeakPolarHBondContact CA-O 3.33Å |
| 129 | L | 98.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 112.2 | 175 | 179.2 | 61.6 | 0 | 0 | 0 | 108.4 | A84 K86 C96 I110 E112 N155 | A84-L129 HydrophobicContact CB-CD1 4.46Å; A84-L129 HydrophobicContact CB-CD2 4.25Å; A84-L129 WeakPolarHBondContact O-CD2 3.15Å; K86-L129 HydrophobicContact CB-CD1 4.23Å; C96-L129 HydrophobicContact CB-CB 4.39Å; C96-L129 WeakPolarHBondContact O-CD2 3.4Å; I110-L129 HydrophobicContact CG2-CD1 3.8Å; E112-L129 HydrophobicContact CG-CD1 4.39Å; L129-N155 PolarHBondContact N-O 3.22Å; L129-N155 PolarHBondContact O-N 3.3Å |
| 130 | V | 98.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125.7 | 179.8 | -177.8 | 0 | 0 | 0 | 0 | 109 | I110 R111 V113 V152 V153 A154 L175 L179 V182 | I110-V130 CarbonylContact C-O 3.53Å; I110-V130 WeakPolarHBondContact CA-O 3.01Å; R111-V130 HydrophobicContact CB-CB 4.15Å; R111-V130 PolarHBondContact N-O 3.36Å; R111-V130 PolarHBondContact O-N 2.88Å; V113-V130 HydrophobicContact CG2-CG2 4.45Å; V130-V152 HydrophobicContact CG1-CG1 3.4Å; V130-V152 VanDerWaalsContact CG1-CG1 3.4Å; V130-V153 CarbonylContact C-O 3.46Å; V130-V153 WeakPolarHBondContact CA-O 3.18Å; V130-A154 HydrophobicContact CG2-CB 3.95Å; V130-L175 HydrophobicContact CG2-CD1 3.8Å; V130-L179 HydrophobicContact CG1-CD1 3.77Å; V130-L179 HydrophobicContact CG2-CD1 4.43Å; V130-V182 HydrophobicContact CG1-CB 4.24Å; V130-V182 HydrophobicContact CG1-CG1 4.1Å; V130-V182 HydrophobicContact CG1-CG2 4.38Å |
| 131 | V | 98.8 | Very high | 84.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 131.8 | 175.5 | -58.7 | 0 | 0 | 0 | 0 | 109.9 | A84 T98 W100 L107 K109 I110 L133 V152 V153 | A84-V131 HydrophobicContact CB-CG1 4.31Å; T98-V131 HydrophobicContact CG2-CG2 3.76Å; W100-V131 HydrophobicContact CZ3-CG1 4.19Å; L107-V131 HydrophobicContact CD1-CB 4.47Å; K109-V131 WeakPolarHBondContact O-CA 3.32Å; I110-V131 HydrophobicContact CG1-CG1 4.3Å; V131-L133 HydrophobicContact CB-CD2 4.42Å; V131-L133 HydrophobicContact CG2-CD1 4.17Å; V131-L133 HydrophobicContact CG2-CD2 4.33Å; V131-L133 HydrophobicContact CG2-CG 4.05Å; V131-V152 CarbonylContact O-C 3.57Å; V131-V152 WeakPolarHBondContact O-CA 3.46Å; V131-V153 HydrophobicContact CG2-CB 3.91Å; V131-V153 PolarHBondContact N-O 3.16Å; V131-V153 PolarHBondContact O-N 3.46Å |
| 132 | C | 98.2 | Very high | 83.3 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 3% | 0.027 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 121.3 | 168.4 | -172.6 | 0 | 0 | 0 | 0 | 107.7 | V108 K109 V152 V182 | V108-C132 HydrophobicContact CB-CB 4.22Å; V108-C132 WeakPolarHBondContact CB-O 3.47Å; V108-C132 PolarHBondContact N-O 2.91Å; K109-C132 HydrophobicContact CB-CB 4.11Å; K109-C132 PolarHBondContact N-O 3.24Å; K109-C132 PolarHBondContact O-N 3.49Å; C132-V152 HydrophobicContact CB-CG2 4.36Å; C132-V182 HydrophobicContact CB-CG1 3.99Å |
| 133 | L | 97.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 132.3 | -175.6 | -60.4 | 178.5 | 0 | 0 | 0 | 109.6 | I57 W100 F105 E106 L107 V131 E150 I151 | I57-L133 HydrophobicContact CD1-CD1 3.86Å; I57-L133 HydrophobicContact CG1-CD1 4.46Å; W100-L133 HydrophobicContact CB-CD1 3.94Å; W100-L133 HydrophobicContact CD2-CD1 4.27Å; W100-L133 HydrophobicContact CD2-CD2 3.7Å; W100-L133 HydrophobicContact CE3-CD1 4.49Å; W100-L133 HydrophobicContact CE3-CD2 4.09Å; W100-L133 HydrophobicContact CG-CD1 4.04Å; W100-L133 HydrophobicContact CG-CD2 4.01Å; W100-L133 HydrophobicContact CZ2-CD2 4.33Å; F105-L133 HydrophobicContact CB-CB 4.23Å; F105-L133 HydrophobicContact CB-CD1 4.2Å; F105-L133 HydrophobicContact CD1-CB 4.05Å; F105-L133 HydrophobicContact CD1-CD1 4.28Å; F105-L133 HydrophobicContact CG-CB 4.47Å; F105-L133 HydrophobicContact CG-CD1 4.2Å; E106-L133 CarbonylContact O-C 3.58Å; E106-L133 WeakPolarHBondContact O-CA 3.46Å; L107-L133 HydrophobicContact CD1-CD2 4Å; V131-L133 HydrophobicContact CB-CD2 4.42Å; V131-L133 HydrophobicContact CG2-CD1 4.17Å; V131-L133 HydrophobicContact CG2-CD2 4.33Å; V131-L133 HydrophobicContact CG2-CG 4.05Å; L133-E150 CarbonylContact O-C 3.56Å; L133-E150 VanDerWaalsContact O-CA 3.25Å; L133-E150 WeakPolarHBondContact O-CA 3.23Å; L133-I151 HydrophobicContact CB-CG2 4.16Å; L133-I151 PolarHBondContact N-O 3.44Å; L133-I151 PolarHBondContact O-N 3.24Å |
| 134 | K | 94.8 | Very high | 79.9 | Confident | 90 Ų | 90 | 51.4 Ų | 51.4 | 39% | 0.391 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 122.3 | 167 | -179.8 | -178 | 173.1 | -165.1 | 0 | 108.5 | F105 E106 V108 L136 H149 E150 | F105-K134 VanDerWaalsContact CA-O 3.32Å; F105-K134 WeakPolarHBondContact CA-O 3.44Å; E106-K134 HydrophobicContact CB-CB 4.34Å; E106-K134 PolarHBondContact N-O 3.17Å; E106-K134 PolarHBondContact O-N 3.05Å; E106-K134 IonicContact OE2-NZ 3.47Å; V108-K134 HydrophobicContact CG2-CB 3.74Å; K134-L136 PolarHBondContact O-N 3.05Å; K134-H149 CarbonylContact C-O 3.52Å; K134-H149 WeakPolarHBondContact CA-O 3.31Å; K134-E150 HydrophobicContact CB-CG 4.43Å |
| 135 | V | 93 | Very high | 78.1 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.03 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 120.6 | 174.7 | -169.5 | 0 | 0 | 0 | 0 | 108.7 | I7 F105 H149 I151 F373 | I7-V135 HydrophobicContact CB-CG1 4.22Å; I7-V135 HydrophobicContact CD1-CG1 3.71Å; I7-V135 HydrophobicContact CG2-CG1 3.86Å; F105-V135 HydrophobicContact CD1-CG2 4.31Å; F105-V135 HydrophobicContact CE1-CB 4.45Å; F105-V135 HydrophobicContact CE1-CG1 4.27Å; F105-V135 HydrophobicContact CE1-CG2 3.99Å; V135-H149 HydrophobicContact CB-CB 4.39Å; V135-H149 WeakPolarHBondContact CB-O 3.49Å; V135-H149 WeakPolarHBondContact CG2-O 2.99Å; V135-H149 PolarHBondContact N-O 2.98Å; V135-I151 HydrophobicContact CG2-CB 4.5Å; V135-I151 HydrophobicContact CG2-CG2 3.99Å; V135-F373 HydrophobicContact CG2-CD1 4.3Å; V135-F373 HydrophobicContact CG2-CD2 4.1Å; V135-F373 HydrophobicContact CG2-CE1 4.4Å; V135-F373 HydrophobicContact CG2-CE2 4.19Å; V135-F373 HydrophobicContact CG2-CG 4.15Å; V135-F373 HydrophobicContact CG2-CZ 4.34Å |
| 136 | L | 89.3 | Confident | 76 | Confident | 59 Ų | 59 | 60.2 Ų | 60.2 | 31% | 0.309 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 132.9 | 179.5 | -55.8 | 179.5 | 0 | 0 | 0 | 109.7 | K104 E106 K134 | K104-L136 WeakPolarHBondContact O-CB 3.27Å; K104-L136 PolarHBondContact O-N 3.39Å; E106-L136 HydrophobicContact CB-CD1 4.46Å; E106-L136 HydrophobicContact CB-CD2 3.9Å; E106-L136 HydrophobicContact CB-CG 4.43Å; K134-L136 PolarHBondContact O-N 3.05Å |
| 137 | G | 76 | Confident | 74 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | trans | -158.2 | 174.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E139 | G137-E139 PolarHBondContact O-N 3.16Š| ||
| 138 | K | 57.8 | Low | 72.5 | Confident | 198 Ų | 198 | 65.2 Ų | 65.2 | 86% | 0.861 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -64.6 | 113.3 | 177.9 | -70.7 | -174 | 179.1 | -179 | 0 | 109.1 | ||
| 139 | E | 53.2 | Low | 71.8 | Confident | 161 Ų | 161 | 66 Ų | 66 | 75% | 0.752 | 37% | 0.372 | S | S | * | . | trans | 0.8 | 111.1 | 174 | -70.3 | -69.4 | 161.2 | 0 | 0 | 114.8 | G137 T141 | G137-E139 PolarHBondContact O-N 3.16Å; E139-T141 PolarHBondContact O-N 3.41Å | ||
| 140 | P | 51.7 | Low | 71.5 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | trans | -59.3 | 112.6 | 168.2 | 23.5 | -28.7 | 0 | 0 | 0 | 108.1 | S142 | P140-S142 PolarHBondContact O-N 3.44Š| ||
| 141 | T | 49.9 | Very low | 71.3 | Confident | 142 Ų | 142 | 66.7 Ų | 66.7 | 87% | 0.871 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -60.9 | -4.8 | 175.9 | 48.1 | 0 | 0 | 0 | 0 | 113.4 | E139 | E139-T141 PolarHBondContact O-N 3.41Š|
| 142 | S | 49.3 | Very low | 71.3 | Confident | 51 Ų | 51 | 66.7 Ų | 66.7 | 36% | 0.357 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -117.9 | 121.2 | 180 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | P140 N144 L147 | P140-S142 PolarHBondContact O-N 3.44Å; S142-N144 PolarHBondContact O-N 2.89Å; S142-L147 WeakPolarHBondContact OG-CD1 3.44Å |
| 143 | S | 47.9 | Very low | 71.3 | Confident | 126 Ų | 126 | 66.5 Ų | 66.5 | 88% | 0.881 | 37% | 0.374 | S | S | * | . | trans | -67.7 | 33 | 173.7 | 60.4 | 0 | 0 | 0 | 0 | 114.2 | P145 | S143-P145 WeakPolarHBondContact O-CD 3.33Š| ||
| 144 | N | 49.4 | Very low | 71.4 | Confident | 89 Ų | 89 | 66.5 Ų | 66.5 | 48% | 0.476 | 37% | 0.374 | S | S | . | . | trans | -89.7 | 108.7 | -177.2 | -160 | -4.5 | 0 | 0 | 0 | 109.6 | S142 D146 L147 | S142-N144 PolarHBondContact O-N 2.89Å; N144-D146 PolarHBondContact O-N 3.07Å; N144-D146 VanDerWaalsContact O-N 3.16Å; N144-L147 HydrophobicContact CB-CD1 3.71Å; N144-L147 HydrophobicContact CB-CG 4.11Å; N144-L147 VanDerWaalsContact O-CB 3.31Å; N144-L147 WeakPolarHBondContact O-CB 3.49Å; N144-L147 PolarHBondContact O-N 2.83Å | ||
| 145 | P | 48.7 | Very low | 71.6 | Confident | 101 Ų | 101 | 62.2 Ų | 62.2 | 66% | 0.656 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -62.1 | -20.7 | -178.1 | 23.7 | -33 | 0 | 0 | 0 | 113.6 | S143 L147 N148 | S143-P145 WeakPolarHBondContact O-CD 3.33Å; P145-L147 PolarHBondContact O-N 3.34Å; P145-L147 VanDerWaalsContact O-N 3.15Å; P145-N148 PolarHBondContact O-N 2.86Å; P145-N148 PolarHBondContact O-OD1 2.94Å |
| 146 | D | 50.3 | Low | 71.9 | Confident | 125 Ų | 125 | 62 Ų | 62 | 67% | 0.668 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -72.4 | 0.4 | 173.8 | -76.4 | -20.6 | 0 | 0 | 0 | 114.1 | N144 K318 | N144-D146 PolarHBondContact O-N 3.07Å; N144-D146 VanDerWaalsContact O-N 3.16Å; D146-K318 PolarHBondContact O-NZ 2.76Å |
| 147 | L | 54.5 | Low | 72.3 | Confident | 38 Ų | 38 | 59.6 Ų | 59.6 | 20% | 0.199 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -96.3 | 28.1 | 173.6 | -67.7 | 166.3 | 0 | 0 | 0 | 112.4 | S142 N144 P145 H149 | S142-L147 WeakPolarHBondContact OG-CD1 3.44Å; N144-L147 HydrophobicContact CB-CD1 3.71Å; N144-L147 HydrophobicContact CB-CG 4.11Å; N144-L147 VanDerWaalsContact O-CB 3.31Å; N144-L147 WeakPolarHBondContact O-CB 3.49Å; N144-L147 PolarHBondContact O-N 2.83Å; P145-L147 PolarHBondContact O-N 3.34Å; P145-L147 VanDerWaalsContact O-N 3.15Å; L147-H149 PolarHBondContact O-CD2 3.49Å; L147-H149 PolarHBondContact O-CE1 2.85Å; L147-H149 PolarHBondContact O-N 3.09Å; L147-H149 PolarHBondContact O-ND1 3.28Å |
| 148 | N | 65.6 | Low | 73.3 | Confident | 81 Ų | 81 | 57.4 Ų | 57.4 | 43% | 0.433 | 32% | 0.318 | S | S | . | . | trans | -51.6 | 103.8 | 168.9 | -84.4 | 10.1 | 0 | 0 | 0 | 109.3 | P145 E150 | P145-N148 PolarHBondContact O-N 2.86Å; P145-N148 PolarHBondContact O-OD1 2.94Å; N148-E150 HydrophobicContact CB-CG 3.95Å; N148-E150 PolarHBondContact ND2-OE1 2.79Å; N148-E150 PolarHBondContact ND2-OE2 2.89Å; N148-E150 PolarHBondContact O-N 2.84Å | ||
| 149 | H | 84.3 | Confident | 75.2 | Confident | 17 Ų | 17 | 48.8 Ų | 48.8 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | trans | -76 | 59.2 | 178.7 | -62.8 | -53.2 | 0 | 0 | 0 | 107.8 | K134 V135 L147 F373 H375 | K134-H149 CarbonylContact C-O 3.52Å; K134-H149 WeakPolarHBondContact CA-O 3.31Å; V135-H149 HydrophobicContact CB-CB 4.39Å; V135-H149 WeakPolarHBondContact CB-O 3.49Å; V135-H149 WeakPolarHBondContact CG2-O 2.99Å; V135-H149 PolarHBondContact N-O 2.98Å; L147-H149 PolarHBondContact O-CD2 3.49Å; L147-H149 PolarHBondContact O-CE1 2.85Å; L147-H149 PolarHBondContact O-N 3.09Å; L147-H149 PolarHBondContact O-ND1 3.28Å; H149-F373 HydrophobicContact CB-CE1 3.89Å; H149-F373 HydrophobicContact CB-CZ 4.23Å; H149-F373 AromaticContact ND1-CE1 3.86Å; H149-H375 AromaticContact CD2-ND1 3.86Å; H149-H375 AromaticContact CE1-CG 3.74Å; H149-H375 AromaticContact CE1-ND1 3.03Å; H149-H375 PolarHBondContact CE1-ND1 3.32Å; H149-H375 AromaticContact CG-ND1 3.84Å; H149-H375 AromaticContact ND1-ND1 3.3Å; H149-H375 PolarHBondContact ND1-ND1 3.28Å; H149-H375 AromaticContact NE2-ND1 3.35Å; H149-H375 PolarHBondContact NE2-ND1 3.37Å | ||
| 150 | E | 92.3 | Very high | 77.1 | Confident | 14 Ų | 14 | 48.1 Ų | 48.1 | 7% | 0.065 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 136.8 | -172.5 | -68.4 | 172.6 | 163.5 | 0 | 0 | 109.6 | V108 L133 K134 N148 R191 | V108-E150 HydrophobicContact CG2-CG 4.24Å; L133-E150 CarbonylContact O-C 3.56Å; L133-E150 VanDerWaalsContact O-CA 3.25Å; L133-E150 WeakPolarHBondContact O-CA 3.23Å; K134-E150 HydrophobicContact CB-CG 4.43Å; N148-E150 HydrophobicContact CB-CG 3.95Å; N148-E150 PolarHBondContact ND2-OE1 2.79Å; N148-E150 PolarHBondContact ND2-OE2 2.89Å; N148-E150 PolarHBondContact O-N 2.84Å; E150-R191 IonicContact OE2-CZ 2.74Å; E150-R191 IonicContact OE2-NE 2.78Å; E150-R191 PolarHBondContact OE2-NE 2.76Å; E150-R191 IonicContact OE2-NH2 3.55Å; E150-R191 PolarHBondContact OE2-NH2 2.83Å |
| 151 | I | 95.8 | Very high | 79.1 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 142.2 | 171 | -173.2 | 169.2 | 0 | 0 | 0 | 108.7 | F9 F105 L133 V135 P192 I194 L334 F373 | F9-I151 HydrophobicContact CE1-CD1 4.25Å; F9-I151 HydrophobicContact CE2-CD1 4.31Å; F9-I151 HydrophobicContact CZ-CD1 3.5Å; F105-I151 HydrophobicContact CE1-CG2 4.32Å; L133-I151 HydrophobicContact CB-CG2 4.16Å; L133-I151 PolarHBondContact N-O 3.44Å; L133-I151 PolarHBondContact O-N 3.24Å; V135-I151 HydrophobicContact CG2-CB 4.5Å; V135-I151 HydrophobicContact CG2-CG2 3.99Å; I151-P192 HydrophobicContact CG1-CB 4.31Å; I151-I194 HydrophobicContact CD1-CD1 3.71Å; I151-I194 HydrophobicContact CD1-CG1 4.07Å; I151-L334 HydrophobicContact CD1-CD1 3.94Å; I151-L334 HydrophobicContact CD1-CD2 3.96Å; I151-F373 HydrophobicContact CB-CE2 4.49Å |
| 152 | V | 98 | Very high | 81.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 126.3 | 175.5 | -172.2 | 0 | 0 | 0 | 0 | 109.1 | V130 V131 C132 L179 V182 A183 R191 P192 V193 I194 | V130-V152 HydrophobicContact CG1-CG1 3.4Å; V130-V152 VanDerWaalsContact CG1-CG1 3.4Å; V131-V152 CarbonylContact O-C 3.57Å; V131-V152 WeakPolarHBondContact O-CA 3.46Å; C132-V152 HydrophobicContact CB-CG2 4.36Å; V152-L179 HydrophobicContact CB-CD1 4.42Å; V152-L179 HydrophobicContact CG1-CD1 3.54Å; V152-V182 HydrophobicContact CG1-CB 4.45Å; V152-V182 HydrophobicContact CG1-CG1 3.82Å; V152-V182 HydrophobicContact CG2-CG1 4.2Å; V152-A183 HydrophobicContact CB-CB 4.47Å; V152-A183 HydrophobicContact CG2-CB 4.01Å; V152-R191 HydrophobicContact CG2-CB 4.23Å; V152-P192 PolarHBondContact N-O 2.96Å; V152-V193 HydrophobicContact CB-CG2 4.33Å; V152-V193 CarbonylContact O-C 3.53Å; V152-V193 VanDerWaalsContact O-CA 3.24Å; V152-V193 WeakPolarHBondContact O-CA 3.08Å; V152-I194 PolarHBondContact O-N 2.93Å |
| 153 | V | 98.8 | Very high | 83.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 126.1 | 177.9 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | L11 I57 C59 V130 V131 I194 | L11-V153 HydrophobicContact CD1-CG1 3.73Å; L11-V153 HydrophobicContact CD1-CG2 4.13Å; I57-V153 HydrophobicContact CD1-CG2 4.15Å; I57-V153 HydrophobicContact CG2-CG1 4.48Å; C59-V153 WeakPolarHBondContact SG-CG1 3.35Å; V130-V153 CarbonylContact C-O 3.46Å; V130-V153 WeakPolarHBondContact CA-O 3.18Å; V131-V153 HydrophobicContact CG2-CB 3.91Å; V131-V153 PolarHBondContact N-O 3.16Å; V131-V153 PolarHBondContact O-N 3.46Å; V153-I194 CarbonylContact C-O 3.59Å; V153-I194 WeakPolarHBondContact CA-O 3.48Å |
| 154 | A | 98.9 | Very high | 85.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | V130 L179 I194 L195 C196 | V130-A154 HydrophobicContact CG2-CB 3.95Å; A154-L179 HydrophobicContact CB-CD1 3.9Å; A154-L179 HydrophobicContact CB-CD2 3.88Å; A154-L179 HydrophobicContact CB-CG 4.48Å; A154-I194 PolarHBondContact N-O 2.84Å; A154-L195 HydrophobicContact CB-CD1 3.68Å; A154-C196 PolarHBondContact O-N 3.4Å |
| 155 | N | 98.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 134.1 | 175.1 | 179.8 | 2.1 | 0 | 0 | 0 | 109.1 | C59 L60 Q61 A97 G128 L129 C196 | C59-N155 HydrophobicContact CB-CB 3.95Å; L60-N155 PolarHBondContact N-ND2 2.83Å; L60-N155 PolarHBondContact O-ND2 2.92Å; Q61-N155 PolarHBondContact NE2-OD1 3.38Å; A97-N155 PolarHBondContact O-ND2 3.04Å; G128-N155 CarbonylContact C-O 3.56Å; G128-N155 WeakPolarHBondContact CA-O 3.33Å; L129-N155 PolarHBondContact N-O 3.22Å; L129-N155 PolarHBondContact O-N 3.3Å; N155-C196 WeakPolarHBondContact CA-O 3.24Å |
| 156 | T | 98.8 | Very high | 90 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 159.9 | 174.6 | -170.7 | 0 | 0 | 0 | 0 | 112.8 | Q61 Y115 I127 L158 L175 C196 G197 D198 F199 | Q61-T156 WeakPolarHBondContact CG-O 3.44Å; Y115-T156 PolarHBondContact OH-OG1 2.95Å; I127-T156 PolarHBondContact O-OG1 3.44Å; T156-L158 HydrophobicContact CG2-CD2 4.11Å; T156-L158 HydrophobicContact CG2-CG 4.36Å; T156-L175 HydrophobicContact CG2-CD2 3.84Å; T156-C196 PolarHBondContact N-O 2.83Å; T156-C196 VanDerWaalsContact N-O 3.15Å; T156-G197 VanDerWaalsContact O-CA 3.3Å; T156-G197 WeakPolarHBondContact O-CA 3.44Å; T156-D198 PolarHBondContact O-N 3.47Å; T156-D198 VanDerWaalsContact O-N 3.15Å; T156-F199 HydrophobicContact CG2-CE2 4.43Å; T156-F199 HydrophobicContact CG2-CZ 4.19Å |
| 157 | H | 98.5 | Very high | 92.2 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 107.4 | 164.9 | 178.3 | -171.7 | 0 | 0 | 0 | 107.8 | Q61 E62 K88 N126 D198 N200 | Q61-H157 HydrophobicContact CB-CB 4.03Å; Q61-H157 HydrophobicContact CG-CB 4.04Å; E62-H157 WeakPolarHBondContact CG-ND1 3.39Å; E62-H157 IonicContact OE1-CE1 2.82Å; E62-H157 PolarHBondContact OE1-CE1 3.22Å; E62-H157 IonicContact OE1-ND1 2.92Å; K88-H157 PolarHBondContact NZ-CE1 2.99Å; K88-H157 PolarHBondContact NZ-ND1 3.33Å; N126-H157 WeakPolarHBondContact CB-O 3.49Å; N126-H157 PolarHBondContact ND2-O 2.91Å; H157-D198 CarbonylContact C-O 3.58Å; H157-D198 WeakPolarHBondContact CA-O 3.31Å; H157-D198 IonicContact CD2-OD2 3.84Å; H157-D198 IonicContact NE2-OD2 3.11Å; H157-N200 PolarHBondContact CD2-ND2 3.1Å; H157-N200 PolarHBondContact NE2-ND2 3.25Å |
| 158 | L | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -74.8 | 172 | -177.8 | -59.5 | -170.9 | 0 | 0 | 0 | 112.4 | Y115 N126 T156 F160 K168 Q171 V172 D198 F199 N200 L207 | Y115-L158 HydrophobicContact CE2-CD2 4.18Å; N126-L158 VanDerWaalsContact ND2-C 3.29Å; N126-L158 PolarHBondContact ND2-O 3.32Å; N126-L158 VanDerWaalsContact ND2-O 3.07Å; T156-L158 HydrophobicContact CG2-CD2 4.11Å; T156-L158 HydrophobicContact CG2-CG 4.36Å; L158-F160 PolarHBondContact O-N 3.32Å; L158-K168 HydrophobicContact CD1-CB 4.38Å; L158-Q171 HydrophobicContact CD2-CB 3.76Å; L158-V172 HydrophobicContact CD1-CG2 3.47Å; L158-V172 VanDerWaalsContact CD1-CG2 3.47Å; L158-V172 HydrophobicContact CD2-CG2 4.28Å; L158-D198 PolarHBondContact N-O 3.44Å; L158-F199 WeakPolarHBondContact CB-O 3.33Å; L158-F199 HydrophobicContact CD1-CB 4.03Å; L158-F199 HydrophobicContact CD1-CD1 3.66Å; L158-F199 HydrophobicContact CD1-CE1 4.45Å; L158-F199 HydrophobicContact CD1-CG 4.14Å; L158-F199 WeakPolarHBondContact CD1-O 3.44Å; L158-F199 HydrophobicContact CG-CD1 4.44Å; L158-N200 PolarHBondContact O-ND2 3.47Å; L158-L207 HydrophobicContact CD1-CD1 4.35Å | ||
| 159 | L | 96.5 | Very high | 95.7 | Very high | 17 Ų | 17 | 28.2 Ų | 28.2 | 9% | 0.089 | 13% | 0.128 | C | C | . | . | trans | -60.8 | 132.6 | 178.2 | 178.8 | 66.8 | 0 | 0 | 0 | 111.5 | N161 L164 V167 K168 N200 | L159-N161 HydrophobicContact CD1-CB 4.49Å; L159-N161 HydrophobicContact CD2-CB 4.21Å; L159-N161 HydrophobicContact CG-CB 4.12Å; L159-L164 HydrophobicContact CD2-CB 3.64Å; L159-L164 HydrophobicContact CD2-CD1 3.83Å; L159-L164 HydrophobicContact CD2-CG 4.39Å; L159-V167 HydrophobicContact CD2-CB 4.09Å; L159-V167 HydrophobicContact CD2-CG1 3.93Å; L159-K168 HydrophobicContact CB-CG 4.16Å; L159-K168 WeakPolarHBondContact O-CD 3.2Å; L159-K168 WeakPolarHBondContact O-CE 3.19Å; L159-K168 PolarHBondContact O-NZ 3.4Å; L159-K168 VanDerWaalsContact O-NZ 3.16Å; L159-N200 WeakPolarHBondContact O-CB 3.3Å | ||
| 160 | F | 94.1 | Very high | 96.3 | Very high | 147 Ų | 147 | 27.6 Ų | 27.6 | 65% | 0.645 | 13% | 0.126 | S | C | * | . | trans | -68.4 | -36.3 | 178.8 | 79.1 | -84.4 | 0 | 0 | 0 | 113.5 | L158 E162 K168 | L158-F160 PolarHBondContact O-N 3.32Å; F160-E162 PolarHBondContact O-N 3.5Å; F160-K168 PolarHBondContact O-NZ 2.8Å | ||
| 161 | N | 93.8 | Very high | 96.6 | Very high | 55 Ų | 55 | 27 Ų | 27 | 29% | 0.294 | 12% | 0.123 | S | C | . | . | trans | -59.1 | 111.6 | -171 | -172.9 | -28.1 | 0 | 0 | 0 | 112.3 | L159 R163 L164 K168 | L159-N161 HydrophobicContact CD1-CB 4.49Å; L159-N161 HydrophobicContact CD2-CB 4.21Å; L159-N161 HydrophobicContact CG-CB 4.12Å; N161-R163 PolarHBondContact O-N 2.88Å; N161-R163 WeakPolarHBondContact OD1-CB 3.32Å; N161-R163 PolarHBondContact OD1-N 2.73Å; N161-L164 HydrophobicContact CB-CB 4.37Å; N161-L164 HydrophobicContact CB-CD1 4.15Å; N161-L164 HydrophobicContact CB-CG 4.36Å; N161-L164 PolarHBondContact O-N 3.36Å; N161-L164 VanDerWaalsContact O-N 3.12Å; N161-K168 WeakPolarHBondContact O-CE 3.45Å | ||
| 162 | E | 93.7 | Very high | 96.7 | Very high | 97 Ų | 97 | 27 Ų | 27 | 45% | 0.453 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.2 | -176.2 | -55.4 | 173.8 | 171.3 | 0 | 0 | 113.3 | F160 L164 Q229 | F160-E162 PolarHBondContact O-N 3.5Å; E162-L164 VanDerWaalsContact C-N 3.3Å; E162-L164 PolarHBondContact O-N 3.38Å; E162-Q229 HydrophobicContact CB-CB 3.92Å; E162-Q229 HydrophobicContact CG-CB 3.66Å |
| 163 | R | 94.3 | Very high | 96.7 | Very high | 153 Ų | 153 | 27 Ų | 27 | 58% | 0.577 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -2.8 | -179.7 | -59.5 | -179.7 | -177 | 171 | 0.7 | 113.4 | N161 R223 H224 | N161-R163 PolarHBondContact O-N 2.88Å; N161-R163 WeakPolarHBondContact OD1-CB 3.32Å; N161-R163 PolarHBondContact OD1-N 2.73Å; R163-R223 PolarHBondContact O-NE 3.45Å; R163-H224 PolarHBondContact O-CD2 2.86Å |
| 164 | L | 94.4 | Very high | 96.6 | Very high | 45 Ų | 45 | 27.3 Ų | 27.3 | 24% | 0.236 | 13% | 0.125 | C | C | . | . | trans | -117.9 | 44 | -177.3 | -64.8 | 179.2 | 0 | 0 | 0 | 110.7 | L159 N161 E162 D166 V167 K168 | L159-L164 HydrophobicContact CD2-CB 3.64Å; L159-L164 HydrophobicContact CD2-CD1 3.83Å; L159-L164 HydrophobicContact CD2-CG 4.39Å; N161-L164 HydrophobicContact CB-CB 4.37Å; N161-L164 HydrophobicContact CB-CD1 4.15Å; N161-L164 HydrophobicContact CB-CG 4.36Å; N161-L164 PolarHBondContact O-N 3.36Å; N161-L164 VanDerWaalsContact O-N 3.12Å; E162-L164 VanDerWaalsContact C-N 3.3Å; E162-L164 PolarHBondContact O-N 3.38Å; L164-D166 VanDerWaalsContact C-N 3.26Å; L164-D166 VanDerWaalsContact C-OD1 3.29Å; L164-D166 WeakPolarHBondContact CA-OD1 3.42Å; L164-D166 PolarHBondContact O-N 3.26Å; L164-V167 HydrophobicContact CB-CB 4.17Å; L164-V167 HydrophobicContact CB-CG2 4.06Å; L164-V167 HydrophobicContact CD2-CG2 4.44Å; L164-V167 WeakPolarHBondContact O-CB 3.33Å; L164-V167 PolarHBondContact O-N 3.16Å; L164-V167 VanDerWaalsContact O-N 3.08Å; L164-K168 PolarHBondContact O-N 2.83Å; L164-K168 VanDerWaalsContact O-N 3.14Å | ||
| 165 | G | 95.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.5 | -26.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | V167 K168 L169 R223 V226 | G165-V167 VanDerWaalsContact C-N 3.34Å; G165-K168 PolarHBondContact O-N 3.09Å; G165-L169 PolarHBondContact O-N 3.33Å; G165-R223 WeakPolarHBondContact CA-O 3.44Å; G165-R223 PolarHBondContact N-O 3.49Å; G165-V226 WeakPolarHBondContact O-CG1 3.36Å |
| 166 | D | 95.3 | Very high | 96.6 | Very high | 26 Ų | 26 | 27.3 Ų | 27.3 | 14% | 0.139 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 166.7 | 54.3 | -19.5 | 0 | 0 | 0 | 111.9 | L164 K168 L169 C170 R223 V237 | L164-D166 VanDerWaalsContact C-N 3.26Å; L164-D166 VanDerWaalsContact C-OD1 3.29Å; L164-D166 WeakPolarHBondContact CA-OD1 3.42Å; L164-D166 PolarHBondContact O-N 3.26Å; D166-K168 VanDerWaalsContact C-N 3.35Å; D166-K168 PolarHBondContact O-N 2.79Å; D166-L169 WeakPolarHBondContact O-CB 3.37Å; D166-L169 PolarHBondContact O-N 3.23Å; D166-C170 PolarHBondContact O-N 3.06Å; D166-C170 PolarHBondContact O-SG 3.26Å; D166-R223 HydrophobicContact CB-CB 3.89Å; D166-R223 WeakPolarHBondContact OD2-CD 3.35Å; D166-V237 HydrophobicContact CB-CG1 4.16Å; D166-V237 HydrophobicContact CB-CG2 4.18Å |
| 167 | V | 95.8 | Very high | 96.5 | Very high | 13 Ų | 13 | 27.4 Ų | 27.4 | 8% | 0.079 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -64.2 | -41.2 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 111 | L122 C124 L159 L164 G165 L169 C170 Q171 | L122-V167 HydrophobicContact CD2-CG1 4.16Å; C124-V167 VanDerWaalsContact SG-CG1 3.57Å; L159-V167 HydrophobicContact CD2-CB 4.09Å; L159-V167 HydrophobicContact CD2-CG1 3.93Å; L164-V167 HydrophobicContact CB-CB 4.17Å; L164-V167 HydrophobicContact CB-CG2 4.06Å; L164-V167 HydrophobicContact CD2-CG2 4.44Å; L164-V167 WeakPolarHBondContact O-CB 3.33Å; L164-V167 PolarHBondContact O-N 3.16Å; L164-V167 VanDerWaalsContact O-N 3.08Å; G165-V167 VanDerWaalsContact C-N 3.34Å; V167-L169 VanDerWaalsContact C-N 3.3Å; V167-L169 PolarHBondContact O-N 3.27Å; V167-C170 WeakPolarHBondContact O-CB 3.3Å; V167-C170 PolarHBondContact O-N 2.84Å; V167-Q171 VanDerWaalsContact O-CG 3.31Å; V167-Q171 WeakPolarHBondContact O-CG 3.37Å; V167-Q171 PolarHBondContact O-N 2.76Å |
| 168 | K | 97.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.7 | -42.1 | 173.7 | -57.2 | -175.7 | -156.9 | -161.4 | 0 | 111.1 | L158 L159 F160 N161 L164 G165 D166 C170 Q171 V172 N200 L207 | L158-K168 HydrophobicContact CD1-CB 4.38Å; L159-K168 HydrophobicContact CB-CG 4.16Å; L159-K168 WeakPolarHBondContact O-CD 3.2Å; L159-K168 WeakPolarHBondContact O-CE 3.19Å; L159-K168 PolarHBondContact O-NZ 3.4Å; L159-K168 VanDerWaalsContact O-NZ 3.16Å; F160-K168 PolarHBondContact O-NZ 2.8Å; N161-K168 WeakPolarHBondContact O-CE 3.45Å; L164-K168 PolarHBondContact O-N 2.83Å; L164-K168 VanDerWaalsContact O-N 3.14Å; G165-K168 PolarHBondContact O-N 3.09Å; D166-K168 VanDerWaalsContact C-N 3.35Å; D166-K168 PolarHBondContact O-N 2.79Å; K168-C170 PolarHBondContact O-N 3.42Å; K168-Q171 WeakPolarHBondContact O-CB 3.35Å; K168-Q171 PolarHBondContact O-N 3.32Å; K168-V172 WeakPolarHBondContact O-CG2 3.5Å; K168-V172 PolarHBondContact O-N 2.72Å; K168-N200 HydrophobicContact CD-CB 4.44Å; K168-N200 WeakPolarHBondContact CD-O 3.16Å; K168-N200 PolarHBondContact NZ-O 3.21Å; K168-L207 HydrophobicContact CB-CD1 3.66Å |
| 169 | L | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -41.2 | 176.4 | -173 | 64.5 | 0 | 0 | 0 | 111.9 | G165 D166 V167 V172 A173 F210 L216 V226 L241 V276 | G165-L169 PolarHBondContact O-N 3.33Å; D166-L169 WeakPolarHBondContact O-CB 3.37Å; D166-L169 PolarHBondContact O-N 3.23Å; V167-L169 VanDerWaalsContact C-N 3.3Å; V167-L169 PolarHBondContact O-N 3.27Å; L169-V172 PolarHBondContact O-N 3.38Å; L169-A173 WeakPolarHBondContact O-CB 3.4Å; L169-A173 PolarHBondContact O-N 3.32Å; L169-F210 HydrophobicContact CD1-CB 4.21Å; L169-F210 HydrophobicContact CD1-CD1 3.4Å; L169-F210 VanDerWaalsContact CD1-CD1 3.4Å; L169-F210 HydrophobicContact CD1-CE1 3.96Å; L169-F210 HydrophobicContact CD1-CG 3.96Å; L169-L216 HydrophobicContact CD1-CD2 4.02Å; L169-L216 HydrophobicContact CD2-CD2 3.81Å; L169-V226 HydrophobicContact CB-CG1 4.05Å; L169-V226 HydrophobicContact CD2-CG1 4.43Å; L169-L241 HydrophobicContact CB-CD1 4.47Å; L169-L241 HydrophobicContact CD2-CD1 4.07Å; L169-L241 HydrophobicContact CD2-CD2 3.79Å; L169-L241 HydrophobicContact CG-CD1 4.41Å; L169-L241 HydrophobicContact CG-CD2 3.81Å; L169-V276 HydrophobicContact CD1-CG1 4.26Å; L169-V276 HydrophobicContact CD2-CG1 4.17Å; L169-V276 HydrophobicContact CG-CG1 4.39Å |
| 170 | C | 96.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.034 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 172.7 | -61.8 | 0 | 0 | 0 | 0 | 112.4 | L122 D166 V167 K168 V172 A173 L174 L241 L242 | L122-C170 HydrophobicContact CD1-CB 4.28Å; L122-C170 HydrophobicContact CD2-CB 3.37Å; L122-C170 HydrophobicContact CG-CB 4.38Å; D166-C170 PolarHBondContact O-N 3.06Å; D166-C170 PolarHBondContact O-SG 3.26Å; V167-C170 WeakPolarHBondContact O-CB 3.3Å; V167-C170 PolarHBondContact O-N 2.84Å; K168-C170 PolarHBondContact O-N 3.42Å; C170-V172 VanDerWaalsContact C-N 3.32Å; C170-V172 PolarHBondContact O-N 2.81Å; C170-A173 PolarHBondContact O-N 3.27Å; C170-L174 WeakPolarHBondContact O-CG 3.29Å; C170-L174 PolarHBondContact O-N 2.83Å; C170-L241 WeakPolarHBondContact SG-CD1 3.31Å; C170-L241 VanDerWaalsContact SG-CG 3.52Å; C170-L241 PolarHBondContact SG-O 3.22Å; C170-L242 HydrophobicContact CB-CD2 4.13Å |
| 171 | Q | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58.9 | -44.4 | 177.5 | -70.3 | 175.6 | -30.6 | 0 | 0 | 111.3 | Y115 N126 L158 V167 K168 L174 L175 | Y115-Q171 HydrophobicContact CD1-CB 4.34Å; Y115-Q171 HydrophobicContact CD2-CB 3.79Å; Y115-Q171 HydrophobicContact CD2-CG 3.61Å; Y115-Q171 WeakPolarHBondContact CE1-O 3.5Å; Y115-Q171 HydrophobicContact CE2-CB 4.01Å; Y115-Q171 HydrophobicContact CE2-CG 4.3Å; Y115-Q171 HydrophobicContact CG-CB 4Å; Y115-Q171 HydrophobicContact CG-CG 3.77Å; N126-Q171 PolarHBondContact OD1-NE2 3.29Å; L158-Q171 HydrophobicContact CD2-CB 3.76Å; V167-Q171 VanDerWaalsContact O-CG 3.31Å; V167-Q171 WeakPolarHBondContact O-CG 3.37Å; V167-Q171 PolarHBondContact O-N 2.76Å; K168-Q171 WeakPolarHBondContact O-CB 3.35Å; K168-Q171 PolarHBondContact O-N 3.32Å; Q171-L174 PolarHBondContact O-N 3.1Å; Q171-L175 WeakPolarHBondContact O-CB 3.26Å; Q171-L175 PolarHBondContact O-N 3.1Å |
| 172 | V | 98.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63 | -46.2 | 174.4 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | L158 K168 L169 C170 L174 L175 L176 F199 L207 F210 L211 | L158-V172 HydrophobicContact CD1-CG2 3.47Å; L158-V172 VanDerWaalsContact CD1-CG2 3.47Å; L158-V172 HydrophobicContact CD2-CG2 4.28Å; K168-V172 WeakPolarHBondContact O-CG2 3.5Å; K168-V172 PolarHBondContact O-N 2.72Å; L169-V172 PolarHBondContact O-N 3.38Å; C170-V172 VanDerWaalsContact C-N 3.32Å; C170-V172 PolarHBondContact O-N 2.81Å; V172-L174 VanDerWaalsContact C-N 3.34Å; V172-L174 PolarHBondContact O-N 2.91Å; V172-L175 WeakPolarHBondContact O-CB 3.27Å; V172-L175 PolarHBondContact O-N 2.96Å; V172-L175 VanDerWaalsContact O-N 3.16Å; V172-L176 HydrophobicContact CG1-CD1 3.79Å; V172-L176 HydrophobicContact CG1-CG 4.09Å; V172-L176 WeakPolarHBondContact O-CB 3.42Å; V172-L176 VanDerWaalsContact O-CG 3.23Å; V172-L176 WeakPolarHBondContact O-CG 3.44Å; V172-L176 PolarHBondContact O-N 3.15Å; V172-F199 HydrophobicContact CG2-CD1 4.37Å; V172-F199 HydrophobicContact CG2-CE1 4.37Å; V172-L207 HydrophobicContact CG2-CD1 4.2Å; V172-L207 HydrophobicContact CG2-CD2 4.31Å; V172-L207 HydrophobicContact CG2-CG 4.43Å; V172-F210 HydrophobicContact CG1-CD1 4.14Å; V172-F210 HydrophobicContact CG1-CE1 3.86Å; V172-L211 HydrophobicContact CG1-CD2 3.67Å; V172-L211 HydrophobicContact CG1-CG 4.26Å |
| 173 | A | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L169 C170 L176 A177 L242 V276 | L169-A173 WeakPolarHBondContact O-CB 3.4Å; L169-A173 PolarHBondContact O-N 3.32Å; C170-A173 PolarHBondContact O-N 3.27Å; A173-L176 PolarHBondContact O-N 3.21Å; A173-A177 PolarHBondContact O-N 2.6Å; A173-A177 VanDerWaalsContact O-N 3.16Å; A173-L242 HydrophobicContact CB-CD1 4.07Å; A173-L242 HydrophobicContact CB-CD2 4.11Å; A173-L242 HydrophobicContact CB-CG 4.35Å; A173-V276 HydrophobicContact CB-CG2 4.19Å |
| 174 | L | 97.1 | Very high | 96.5 | Very high | 6 Ų | 6 | 11.1 Ų | 11.1 | 3% | 0.031 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -61.8 | -48.3 | 171.6 | -73.1 | 179.5 | 0 | 0 | 0 | 111.7 | Y115 M117 L122 C170 Q171 V172 L176 A177 H178 L242 A246 I248 | Y115-L174 HydrophobicContact CD1-CB 4.12Å; Y115-L174 HydrophobicContact CD1-CD1 4.15Å; Y115-L174 HydrophobicContact CE1-CB 4.41Å; M117-L174 HydrophobicContact CE-CD2 4.26Å; L122-L174 HydrophobicContact CD1-CD1 3.76Å; C170-L174 WeakPolarHBondContact O-CG 3.29Å; C170-L174 PolarHBondContact O-N 2.83Å; Q171-L174 PolarHBondContact O-N 3.1Å; V172-L174 VanDerWaalsContact C-N 3.34Å; V172-L174 PolarHBondContact O-N 2.91Å; L174-L176 VanDerWaalsContact C-N 3.3Å; L174-L176 PolarHBondContact O-N 2.72Å; L174-A177 PolarHBondContact O-N 2.8Å; L174-H178 PolarHBondContact O-CD2 2.77Å; L174-H178 PolarHBondContact O-N 2.86Å; L174-L242 HydrophobicContact CD2-CD2 4.19Å; L174-L242 HydrophobicContact CG-CD2 4.15Å; L174-A246 HydrophobicContact CD2-CB 3.83Å; L174-I248 HydrophobicContact CD2-CD1 3.55Å |
| 175 | L | 98.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -57.8 | -44.9 | 177.5 | 179.8 | 58.8 | 0 | 0 | 0 | 111.3 | V113 Y115 V130 T156 Q171 V172 A177 H178 L179 L195 | V113-L175 HydrophobicContact CG2-CD1 4.26Å; Y115-L175 HydrophobicContact CE1-CB 4.09Å; V130-L175 HydrophobicContact CG2-CD1 3.8Å; T156-L175 HydrophobicContact CG2-CD2 3.84Å; Q171-L175 WeakPolarHBondContact O-CB 3.26Å; Q171-L175 PolarHBondContact O-N 3.1Å; V172-L175 WeakPolarHBondContact O-CB 3.27Å; V172-L175 PolarHBondContact O-N 2.96Å; V172-L175 VanDerWaalsContact O-N 3.16Å; L175-A177 VanDerWaalsContact C-N 3.3Å; L175-A177 PolarHBondContact O-N 3.5Å; L175-H178 PolarHBondContact O-N 3.44Å; L175-L179 WeakPolarHBondContact O-CB 3.25Å; L175-L179 PolarHBondContact O-N 3.3Å; L175-L195 HydrophobicContact CD2-CD1 3.65Å |
| 176 | L | 98.4 | Very high | 94.7 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.1 | -35.9 | 179.7 | -70.4 | 173.5 | 0 | 0 | 0 | 112.3 | V172 A173 L174 L179 Q180 L195 F210 L211 C253 H278 L280 F282 | V172-L176 HydrophobicContact CG1-CD1 3.79Å; V172-L176 HydrophobicContact CG1-CG 4.09Å; V172-L176 WeakPolarHBondContact O-CB 3.42Å; V172-L176 VanDerWaalsContact O-CG 3.23Å; V172-L176 WeakPolarHBondContact O-CG 3.44Å; V172-L176 PolarHBondContact O-N 3.15Å; A173-L176 PolarHBondContact O-N 3.21Å; L174-L176 VanDerWaalsContact C-N 3.3Å; L174-L176 PolarHBondContact O-N 2.72Å; L176-L179 HydrophobicContact CD2-CD2 4.45Å; L176-L179 PolarHBondContact O-N 2.87Å; L176-Q180 VanDerWaalsContact O-CB 3.28Å; L176-Q180 WeakPolarHBondContact O-CB 3.31Å; L176-Q180 WeakPolarHBondContact O-CG 3.27Å; L176-Q180 PolarHBondContact O-N 2.78Å; L176-L195 HydrophobicContact CD2-CD2 4.48Å; L176-F210 HydrophobicContact CD1-CE1 3.61Å; L176-F210 HydrophobicContact CD1-CZ 3.63Å; L176-L211 HydrophobicContact CD1-CD2 4.3Å; L176-L211 HydrophobicContact CD2-CD2 4.32Å; L176-C253 HydrophobicContact CB-CB 3.81Å; L176-H278 HydrophobicContact CD1-CB 4.03Å; L176-H278 VanDerWaalsContact CD1-CD2 3.49Å; L176-H278 WeakPolarHBondContact CD1-CD2 3.48Å; L176-L280 HydrophobicContact CD2-CD1 4.21Å; L176-F282 HydrophobicContact CD2-CE2 3.61Å; L176-F282 HydrophobicContact CD2-CZ 4.12Å |
| 177 | A | 97.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.4 | -47.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A173 L174 L175 Q181 I248 C253 F255 | A173-A177 PolarHBondContact O-N 2.6Å; A173-A177 VanDerWaalsContact O-N 3.16Å; L174-A177 PolarHBondContact O-N 2.8Å; L175-A177 VanDerWaalsContact C-N 3.3Å; L175-A177 PolarHBondContact O-N 3.5Å; A177-Q181 WeakPolarHBondContact O-CB 3.27Å; A177-Q181 PolarHBondContact O-N 3.03Å; A177-I248 HydrophobicContact CB-CD1 3.37Å; A177-I248 HydrophobicContact CB-CG1 3.61Å; A177-I248 HydrophobicContact CB-CG2 4.08Å; A177-C253 WeakPolarHBondContact CA-O 3.45Å; A177-C253 WeakPolarHBondContact CB-O 3.49Å; A177-C253 PolarHBondContact N-O 3.1Å; A177-F255 HydrophobicContact CB-CD2 4.29Å; A177-F255 HydrophobicContact CB-CE1 4.44Å; A177-F255 HydrophobicContact CB-CE2 3.87Å; A177-F255 HydrophobicContact CB-CZ 3.93Å |
| 178 | H | 98 | Very high | 92.3 | Very high | 33 Ų | 33 | 25.2 Ų | 25.2 | 15% | 0.153 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.8 | -41.1 | 174.9 | -75.6 | -77.2 | 0 | 0 | 0 | 112.3 | R111 V113 L174 L175 Q181 V182 F255 | R111-H178 HydrophobicContact CG-CB 4.16Å; V113-H178 VanDerWaalsContact CG1-CD2 3.42Å; V113-H178 WeakPolarHBondContact CG1-CD2 3.3Å; V113-H178 HydrophobicContact CG2-CB 3.52Å; L174-H178 PolarHBondContact O-CD2 2.77Å; L174-H178 PolarHBondContact O-N 2.86Å; L175-H178 PolarHBondContact O-N 3.44Å; H178-Q181 PolarHBondContact O-N 3.25Å; H178-V182 WeakPolarHBondContact O-CG2 3.31Å; H178-V182 PolarHBondContact O-N 2.93Å; H178-F255 AromaticContact CD2-CZ 3.81Å; H178-F255 AromaticContact CE1-CZ 3.53Å; H178-F255 AromaticContact CG-CZ 3.92Å; H178-F255 AromaticContact ND1-CZ 3.73Å; H178-F255 AromaticContact NE2-CZ 3.58Å |
| 179 | L | 97.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -46.4 | -180 | -175.4 | 51 | 0 | 0 | 0 | 111.6 | V130 V152 A154 L175 L176 Q181 V182 A183 V193 L195 L280 F282 | V130-L179 HydrophobicContact CG1-CD1 3.77Å; V130-L179 HydrophobicContact CG2-CD1 4.43Å; V152-L179 HydrophobicContact CB-CD1 4.42Å; V152-L179 HydrophobicContact CG1-CD1 3.54Å; A154-L179 HydrophobicContact CB-CD1 3.9Å; A154-L179 HydrophobicContact CB-CD2 3.88Å; A154-L179 HydrophobicContact CB-CG 4.48Å; L175-L179 WeakPolarHBondContact O-CB 3.25Å; L175-L179 PolarHBondContact O-N 3.3Å; L176-L179 HydrophobicContact CD2-CD2 4.45Å; L176-L179 PolarHBondContact O-N 2.87Å; L179-Q181 VanDerWaalsContact C-N 3.33Å; L179-Q181 PolarHBondContact O-N 2.92Å; L179-V182 PolarHBondContact O-N 3.23Å; L179-A183 WeakPolarHBondContact O-CB 3.48Å; L179-A183 PolarHBondContact O-N 2.97Å; L179-V193 HydrophobicContact CD1-CG1 3.79Å; L179-V193 HydrophobicContact CD2-CG1 3.72Å; L179-V193 HydrophobicContact CG-CG1 3.94Å; L179-L195 HydrophobicContact CD2-CB 4.44Å; L179-L280 HydrophobicContact CD2-CD1 4.03Å; L179-L280 HydrophobicContact CG-CD1 4.04Å; L179-F282 HydrophobicContact CD2-CZ 4.16Å |
| 180 | Q | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.8 | -37.9 | 175.8 | -72.6 | -176.9 | 144.2 | 0 | 0 | 111.7 | L176 A183 S184 F190 S252 C253 L280 | L176-Q180 VanDerWaalsContact O-CB 3.28Å; L176-Q180 WeakPolarHBondContact O-CB 3.31Å; L176-Q180 WeakPolarHBondContact O-CG 3.27Å; L176-Q180 PolarHBondContact O-N 2.78Å; Q180-A183 PolarHBondContact O-N 2.92Å; Q180-S184 VanDerWaalsContact O-CB 3.31Å; Q180-S184 WeakPolarHBondContact O-CB 3.25Å; Q180-S184 PolarHBondContact O-N 3.39Å; Q180-F190 HydrophobicContact CB-CD1 4.43Å; Q180-F190 HydrophobicContact CB-CE1 3.68Å; Q180-F190 HydrophobicContact CB-CZ 4.2Å; Q180-F190 HydrophobicContact CG-CE1 3.96Å; Q180-F190 HydrophobicContact CG-CZ 4.11Å; Q180-F190 WeakPolarHBondContact O-CE1 3.37Å; Q180-S252 PolarHBondContact NE2-O 2.83Å; Q180-C253 PolarHBondContact NE2-O 3.03Å; Q180-L280 HydrophobicContact CG-CD1 3.87Å; Q180-L280 HydrophobicContact CG-CD2 4.4Å; Q180-L280 HydrophobicContact CG-CG 3.85Å |
| 181 | Q | 94.9 | Very high | 91 | Very high | 59 Ų | 59 | 29.9 Ų | 29.9 | 28% | 0.276 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 175.6 | -170 | -179.8 | 66.1 | 0 | 0 | 112 | A177 H178 L179 F255 D258 | A177-Q181 WeakPolarHBondContact O-CB 3.27Å; A177-Q181 PolarHBondContact O-N 3.03Å; H178-Q181 PolarHBondContact O-N 3.25Å; L179-Q181 VanDerWaalsContact C-N 3.33Å; L179-Q181 PolarHBondContact O-N 2.92Å; Q181-F255 HydrophobicContact CB-CD2 4.36Å; Q181-F255 HydrophobicContact CB-CE2 4.37Å; Q181-D258 WeakPolarHBondContact CG-OD2 3.37Å; Q181-D258 PolarHBondContact NE2-OD1 2.66Å; Q181-D258 VanDerWaalsContact NE2-OD1 3.09Å; Q181-D258 PolarHBondContact NE2-OD2 2.88Å; Q181-D258 VanDerWaalsContact NE2-OD2 3.16Å |
| 182 | V | 96 | Very high | 90.9 | Very high | 10 Ų | 10 | 30 Ų | 30 | 6% | 0.061 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.1 | -39.6 | 176.6 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | R111 V130 C132 V152 H178 L179 S184 R191 | R111-V182 HydrophobicContact CB-CG2 3.78Å; R111-V182 HydrophobicContact CG-CG2 4.22Å; V130-V182 HydrophobicContact CG1-CB 4.24Å; V130-V182 HydrophobicContact CG1-CG1 4.1Å; V130-V182 HydrophobicContact CG1-CG2 4.38Å; C132-V182 HydrophobicContact CB-CG1 3.99Å; V152-V182 HydrophobicContact CG1-CB 4.45Å; V152-V182 HydrophobicContact CG1-CG1 3.82Å; V152-V182 HydrophobicContact CG2-CG1 4.2Å; H178-V182 WeakPolarHBondContact O-CG2 3.31Å; H178-V182 PolarHBondContact O-N 2.93Å; L179-V182 PolarHBondContact O-N 3.23Å; V182-S184 VanDerWaalsContact C-N 3.33Å; V182-R191 PolarHBondContact O-NH1 3.42Å |
| 183 | A | 94.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -76.4 | -18.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | V152 L179 Q180 T185 F190 R191 V193 | V152-A183 HydrophobicContact CB-CB 4.47Å; V152-A183 HydrophobicContact CG2-CB 4.01Å; L179-A183 WeakPolarHBondContact O-CB 3.48Å; L179-A183 PolarHBondContact O-N 2.97Å; Q180-A183 PolarHBondContact O-N 2.92Å; A183-T185 PolarHBondContact O-N 2.95Å; A183-F190 HydrophobicContact CB-CB 4.14Å; A183-F190 HydrophobicContact CB-CD1 4.08Å; A183-F190 WeakPolarHBondContact O-CA 3.46Å; A183-R191 WeakPolarHBondContact O-CG 3.37Å; A183-R191 PolarHBondContact O-N 2.87Å; A183-R191 PolarHBondContact O-NH1 3.16Å; A183-R191 VanDerWaalsContact O-NH1 3.16Å; A183-V193 HydrophobicContact CB-CG2 3.72Å |
| 184 | S | 91.3 | Very high | 90.9 | Very high | 33 Ų | 33 | 29.9 Ų | 29.9 | 23% | 0.231 | 20% | 0.196 | C | C | . | . | B | Isolated β-bridge | trans | -57.2 | 125.3 | -179.6 | -179.8 | 0 | 0 | 0 | 0 | 112.1 | Q180 V182 G186 R191 | Q180-S184 VanDerWaalsContact O-CB 3.31Å; Q180-S184 WeakPolarHBondContact O-CB 3.25Å; Q180-S184 PolarHBondContact O-N 3.39Å; V182-S184 VanDerWaalsContact C-N 3.33Å; S184-G186 PolarHBondContact O-N 2.82Å; S184-G186 PolarHBondContact OG-N 2.87Å; S184-R191 VanDerWaalsContact C-NH1 3.26Å; S184-R191 PolarHBondContact O-NH1 3.1Å |
| 185 | T | 79.3 | Confident | 91 | Very high | 61 Ų | 61 | 29.6 Ų | 29.6 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | trans | -80.6 | 0.5 | -179.4 | 59.3 | 0 | 0 | 0 | 0 | 113.6 | A183 S187 G189 R191 | A183-T185 PolarHBondContact O-N 2.95Å; T185-S187 PolarHBondContact O-N 2.83Å; T185-S187 PolarHBondContact OG1-N 3.2Å; T185-S187 PolarHBondContact OG1-OG 2.87Å; T185-S187 VanDerWaalsContact OG1-OG 3.11Å; T185-G189 PolarHBondContact N-O 3.31Å; T185-G189 PolarHBondContact OG1-O 3.23Å; T185-G189 VanDerWaalsContact OG1-O 3.1Å; T185-R191 HydrophobicContact CG2-CG 4.04Å | ||
| 186 | G | 73.9 | Confident | 91 | Very high | 78 Ų | 78 | 29.6 Ų | 29.6 | 80% | 0.804 | 20% | 0.195 | S | C | * | . | S | Bend | trans | 78.9 | -15.7 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S184 | S184-G186 PolarHBondContact O-N 2.82Å; S184-G186 PolarHBondContact OG-N 2.87Å |
| 187 | S | 68.3 | Low | 91 | Very high | 85 Ų | 85 | 29.6 Ų | 29.6 | 59% | 0.594 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -112.2 | -167.4 | 170.9 | 68.9 | 0 | 0 | 0 | 0 | 110.8 | T185 G189 | T185-S187 PolarHBondContact O-N 2.83Å; T185-S187 PolarHBondContact OG1-N 3.2Å; T185-S187 PolarHBondContact OG1-OG 2.87Å; T185-S187 VanDerWaalsContact OG1-OG 3.11Å; S187-G189 PolarHBondContact O-N 2.97Å |
| 188 | V | 71.7 | Confident | 91.1 | Very high | 156 Ų | 156 | 29.6 Ų | 29.6 | 95% | 0.945 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -71.1 | 101.3 | 177 | -178.4 | 0 | 0 | 0 | 0 | 109.8 | ||
| 189 | G | 82.7 | Confident | 91.1 | Very high | 34 Ų | 34 | 28.1 Ų | 28.1 | 35% | 0.351 | 19% | 0.188 | S | C | . | . | S | Bend | trans | 137.1 | 172.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | T185 S187 | T185-G189 PolarHBondContact N-O 3.31Å; T185-G189 PolarHBondContact OG1-O 3.23Å; T185-G189 VanDerWaalsContact OG1-O 3.1Å; S187-G189 PolarHBondContact O-N 2.97Å |
| 190 | F | 89.7 | Confident | 91 | Very high | 26 Ų | 26 | 29 Ų | 29 | 11% | 0.114 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -115.5 | 148.1 | -178.5 | -58.4 | -75 | 0 | 0 | 0 | 110.5 | Q180 A183 Q279 L280 S316 | Q180-F190 HydrophobicContact CB-CD1 4.43Å; Q180-F190 HydrophobicContact CB-CE1 3.68Å; Q180-F190 HydrophobicContact CB-CZ 4.2Å; Q180-F190 HydrophobicContact CG-CE1 3.96Å; Q180-F190 HydrophobicContact CG-CZ 4.11Å; Q180-F190 WeakPolarHBondContact O-CE1 3.37Å; A183-F190 HydrophobicContact CB-CB 4.14Å; A183-F190 HydrophobicContact CB-CD1 4.08Å; A183-F190 WeakPolarHBondContact O-CA 3.46Å; F190-Q279 HydrophobicContact CE2-CB 3.64Å; F190-Q279 HydrophobicContact CZ-CB 4.1Å; F190-L280 HydrophobicContact CB-CD2 3.93Å; F190-L280 HydrophobicContact CD1-CD2 4.24Å; F190-L280 HydrophobicContact CD2-CD2 3.86Å; F190-L280 HydrophobicContact CE2-CD2 4.48Å; F190-L280 HydrophobicContact CG-CD2 3.72Å; F190-S316 WeakPolarHBondContact O-CB 3.26Å; F190-S316 PolarHBondContact O-OG 3.43Å |
| 191 | R | 92.5 | Very high | 91 | Very high | 43 Ų | 43 | 29 Ų | 29 | 16% | 0.162 | 19% | 0.193 | C | C | . | . | trans | -58.1 | 160.2 | 161.2 | -67.1 | 171.6 | -176.7 | 83.2 | -3.8 | 110.5 | E150 V152 V182 A183 S184 T185 V193 | E150-R191 IonicContact OE2-CZ 2.74Å; E150-R191 IonicContact OE2-NE 2.78Å; E150-R191 PolarHBondContact OE2-NE 2.76Å; E150-R191 IonicContact OE2-NH2 3.55Å; E150-R191 PolarHBondContact OE2-NH2 2.83Å; V152-R191 HydrophobicContact CG2-CB 4.23Å; V182-R191 PolarHBondContact O-NH1 3.42Å; A183-R191 WeakPolarHBondContact O-CG 3.37Å; A183-R191 PolarHBondContact O-N 2.87Å; A183-R191 PolarHBondContact O-NH1 3.16Å; A183-R191 VanDerWaalsContact O-NH1 3.16Å; S184-R191 VanDerWaalsContact C-NH1 3.26Å; S184-R191 PolarHBondContact O-NH1 3.1Å; T185-R191 HydrophobicContact CG2-CG 4.04Å; R191-V193 WeakPolarHBondContact O-CG2 3.47Å; R191-V193 PolarHBondContact O-N 3.2Å | ||
| 192 | P | 95 | Very high | 91 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.013 | 19% | 0.193 | C | C | . | . | trans | -55.2 | 139.4 | 168.4 | -24.5 | 35 | 0 | 0 | 0 | 111.3 | I151 V152 S314 K333 L334 F373 | I151-P192 HydrophobicContact CG1-CB 4.31Å; V152-P192 PolarHBondContact N-O 2.96Å; P192-S314 WeakPolarHBondContact CA-O 3.1Å; P192-K333 HydrophobicContact CG-CB 3.56Å; P192-K333 HydrophobicContact CG-CD 4.23Å; P192-L334 HydrophobicContact CB-CB 3.7Å; P192-L334 HydrophobicContact CB-CD2 3.93Å; P192-L334 HydrophobicContact CB-CG 4.4Å; P192-L334 HydrophobicContact CG-CB 4.25Å; P192-F373 HydrophobicContact CG-CE2 3.92Å | ||
| 193 | V | 97.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 138.2 | -178.6 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | V152 L179 A183 R191 L280 F282 Y313 S314 | V152-V193 HydrophobicContact CB-CG2 4.33Å; V152-V193 CarbonylContact O-C 3.53Å; V152-V193 VanDerWaalsContact O-CA 3.24Å; V152-V193 WeakPolarHBondContact O-CA 3.08Å; L179-V193 HydrophobicContact CD1-CG1 3.79Å; L179-V193 HydrophobicContact CD2-CG1 3.72Å; L179-V193 HydrophobicContact CG-CG1 3.94Å; A183-V193 HydrophobicContact CB-CG2 3.72Å; R191-V193 WeakPolarHBondContact O-CG2 3.47Å; R191-V193 PolarHBondContact O-N 3.2Å; V193-L280 HydrophobicContact CG2-CD2 3.97Å; V193-F282 HydrophobicContact CB-CE1 4.49Å; V193-F282 HydrophobicContact CG1-CE1 3.99Å; V193-F282 HydrophobicContact CG1-CZ 4.29Å; V193-Y313 CarbonylContact O-C 3.47Å; V193-Y313 WeakPolarHBondContact O-CA 3.46Å; V193-S314 PolarHBondContact N-O 2.9Å; V193-S314 PolarHBondContact O-N 3.34Å |
| 194 | I | 98.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 129.1 | 160.2 | -59.6 | 171.2 | 0 | 0 | 0 | 107.4 | F9 L11 I151 V152 V153 A154 M311 F312 L334 F371 | F9-I194 HydrophobicContact CE2-CD1 4Å; F9-I194 HydrophobicContact CZ-CD1 3.91Å; L11-I194 HydrophobicContact CD1-CB 4.31Å; L11-I194 HydrophobicContact CD1-CD1 3.99Å; L11-I194 HydrophobicContact CD1-CG2 3.92Å; L11-I194 HydrophobicContact CD2-CG2 4.35Å; I151-I194 HydrophobicContact CD1-CD1 3.71Å; I151-I194 HydrophobicContact CD1-CG1 4.07Å; V152-I194 PolarHBondContact O-N 2.93Å; V153-I194 CarbonylContact C-O 3.59Å; V153-I194 WeakPolarHBondContact CA-O 3.48Å; A154-I194 PolarHBondContact N-O 2.84Å; I194-M311 HydrophobicContact CG2-CG 4.16Å; I194-F312 CarbonylContact C-O 3.45Å; I194-F312 WeakPolarHBondContact CA-O 3.27Å; I194-L334 HydrophobicContact CD1-CD2 4.17Å; I194-L334 HydrophobicContact CG1-CD2 3.77Å; I194-F371 HydrophobicContact CD1-CD1 4.18Å; I194-F371 HydrophobicContact CD1-CD2 3.94Å; I194-F371 HydrophobicContact CD1-CE1 4.07Å; I194-F371 HydrophobicContact CD1-CE2 3.82Å; I194-F371 HydrophobicContact CD1-CG 4.12Å; I194-F371 HydrophobicContact CD1-CZ 3.87Å; I194-F371 HydrophobicContact CG1-CE1 4.37Å; I194-F371 HydrophobicContact CG1-CZ 4.34Å |
| 195 | L | 98.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.7 | 176.7 | 168.1 | 62.2 | 0 | 0 | 0 | 108 | A154 L175 L176 L179 F199 L211 F282 F312 | A154-L195 HydrophobicContact CB-CD1 3.68Å; L175-L195 HydrophobicContact CD2-CD1 3.65Å; L176-L195 HydrophobicContact CD2-CD2 4.48Å; L179-L195 HydrophobicContact CD2-CB 4.44Å; L195-F199 HydrophobicContact CD1-CZ 4.05Å; L195-F199 HydrophobicContact CD2-CE1 4.45Å; L195-F199 HydrophobicContact CD2-CZ 4.13Å; L195-F199 HydrophobicContact CG-CZ 3.87Å; L195-L211 HydrophobicContact CD2-CD2 3.86Å; L195-F282 HydrophobicContact CB-CE1 3.71Å; L195-F282 HydrophobicContact CB-CZ 3.91Å; L195-F282 HydrophobicContact CD2-CE1 4.26Å; L195-F282 HydrophobicContact CD2-CE2 4.03Å; L195-F282 HydrophobicContact CD2-CZ 3.73Å; L195-F282 HydrophobicContact CG-CZ 4.48Å; L195-F312 PolarHBondContact N-O 2.97Å; L195-F312 PolarHBondContact O-N 2.85Å |
| 196 | C | 98.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 168.4 | -178.2 | 64.4 | 0 | 0 | 0 | 0 | 113 | C59 A154 N155 T156 H310 M311 | C59-C196 WeakPolarHBondContact CB-SG 3.21Å; A154-C196 PolarHBondContact O-N 3.4Å; N155-C196 WeakPolarHBondContact CA-O 3.24Å; T156-C196 PolarHBondContact N-O 2.83Å; T156-C196 VanDerWaalsContact N-O 3.15Å; C196-H310 WeakPolarHBondContact CA-O 3.48Å; C196-M311 HydrophobicContact CB-CB 4.11Å; C196-M311 HydrophobicContact CB-CG 3.95Å |
| 197 | G | 98.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.5 | -163.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S13 T156 F199 D309 H310 | S13-G197 WeakPolarHBondContact OG-CA 3.19Å; S13-G197 PolarHBondContact OG-N 3.48Å; T156-G197 VanDerWaalsContact O-CA 3.3Å; T156-G197 WeakPolarHBondContact O-CA 3.44Å; G197-F199 VanDerWaalsContact O-CD2 3.32Å; G197-F199 WeakPolarHBondContact O-CD2 3.48Å; G197-D309 WeakPolarHBondContact O-CA 3.19Å; G197-H310 PolarHBondContact N-O 3.07Å; G197-H310 VanDerWaalsContact N-O 3.1Å; G197-H310 PolarHBondContact O-N 2.91Å |
| 198 | D | 98.4 | Very high | 93.7 | Very high | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.011 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 105 | 176.5 | -174.9 | -16.8 | 0 | 0 | 0 | 109.2 | N15 Q61 T156 H157 L158 N200 D309 H364 | N15-D198 PolarHBondContact ND2-OD2 3.2Å; Q61-D198 HydrophobicContact CG-CB 4.41Å; T156-D198 PolarHBondContact O-N 3.47Å; T156-D198 VanDerWaalsContact O-N 3.15Å; H157-D198 CarbonylContact C-O 3.58Å; H157-D198 WeakPolarHBondContact CA-O 3.31Å; H157-D198 IonicContact CD2-OD2 3.84Å; H157-D198 IonicContact NE2-OD2 3.11Å; L158-D198 PolarHBondContact N-O 3.44Å; D198-N200 VanDerWaalsContact C-N 3.33Å; D198-N200 PolarHBondContact OD1-N 3.19Å; D198-N200 PolarHBondContact OD1-ND2 2.8Å; D198-D309 WeakPolarHBondContact CB-OD1 3.38Å; D198-H364 IonicContact OD2-CE1 3.77Å; D198-H364 PolarHBondContact OD2-CE1 3.31Å; D198-H364 IonicContact OD2-NE2 2.7Å |
| 199 | F | 98.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 19 Ų | 19 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | trans | -85.7 | -10.5 | -178.8 | -74.3 | -108.1 | 0 | 0 | 0 | 112.2 | T156 L158 V172 L195 G197 A201 L207 L211 V308 H310 F312 | T156-F199 HydrophobicContact CG2-CE2 4.43Å; T156-F199 HydrophobicContact CG2-CZ 4.19Å; L158-F199 WeakPolarHBondContact CB-O 3.33Å; L158-F199 HydrophobicContact CD1-CB 4.03Å; L158-F199 HydrophobicContact CD1-CD1 3.66Å; L158-F199 HydrophobicContact CD1-CE1 4.45Å; L158-F199 HydrophobicContact CD1-CG 4.14Å; L158-F199 WeakPolarHBondContact CD1-O 3.44Å; L158-F199 HydrophobicContact CG-CD1 4.44Å; V172-F199 HydrophobicContact CG2-CD1 4.37Å; V172-F199 HydrophobicContact CG2-CE1 4.37Å; L195-F199 HydrophobicContact CD1-CZ 4.05Å; L195-F199 HydrophobicContact CD2-CE1 4.45Å; L195-F199 HydrophobicContact CD2-CZ 4.13Å; L195-F199 HydrophobicContact CG-CZ 3.87Å; G197-F199 VanDerWaalsContact O-CD2 3.32Å; G197-F199 WeakPolarHBondContact O-CD2 3.48Å; F199-A201 HydrophobicContact CB-CB 4.18Å; F199-A201 PolarHBondContact O-N 2.84Å; F199-L207 HydrophobicContact CD1-CD2 3.96Å; F199-L211 HydrophobicContact CD1-CD1 4.02Å; F199-L211 HydrophobicContact CE1-CD1 3.6Å; F199-L211 HydrophobicContact CZ-CD1 4.41Å; F199-V308 PolarHBondContact N-O 3.11Å; F199-H310 HydrophobicContact CD2-CB 3.81Å; F199-H310 HydrophobicContact CE2-CB 4.09Å; F199-H310 HydrophobicContact CG-CB 4.46Å; F199-F312 HydrophobicContact CE1-CE2 4.41Å; F199-F312 HydrophobicContact CE2-CE2 4.35Å; F199-F312 HydrophobicContact CZ-CD2 4.37Å; F199-F312 HydrophobicContact CZ-CE2 4.16Å | ||
| 200 | N | 96.9 | Very high | 95.5 | Very high | 19 Ų | 19 | 17.3 Ų | 17.3 | 10% | 0.102 | 9% | 0.09 | C | C | . | . | S | Bend | trans | 43.1 | 53.4 | -168.2 | -75 | -90 | 0 | 0 | 0 | 109.7 | H157 L158 L159 K168 D198 Q229 V308 | H157-N200 PolarHBondContact CD2-ND2 3.1Å; H157-N200 PolarHBondContact NE2-ND2 3.25Å; L158-N200 PolarHBondContact O-ND2 3.47Å; L159-N200 WeakPolarHBondContact O-CB 3.3Å; K168-N200 HydrophobicContact CD-CB 4.44Å; K168-N200 WeakPolarHBondContact CD-O 3.16Å; K168-N200 PolarHBondContact NZ-O 3.21Å; D198-N200 VanDerWaalsContact C-N 3.33Å; D198-N200 PolarHBondContact OD1-N 3.19Å; D198-N200 PolarHBondContact OD1-ND2 2.8Å; N200-Q229 PolarHBondContact O-OE1 2.79Å; N200-V308 PolarHBondContact N-O 3.45Å |
| 201 | A | 96.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | trans | -151 | 138.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | F199 L207 S227 V308 H310 | F199-A201 HydrophobicContact CB-CB 4.18Å; F199-A201 PolarHBondContact O-N 2.84Å; A201-L207 HydrophobicContact CB-CD2 4.01Å; A201-S227 CarbonylContact C-O 3.51Å; A201-S227 WeakPolarHBondContact CA-O 3.41Å; A201-V308 WeakPolarHBondContact O-CA 3.38Å; A201-H310 PolarHBondContact O-NE2 2.88Å | ||
| 202 | T | 93.8 | Very high | 96 | Very high | 44 Ų | 44 | 15.4 Ų | 15.4 | 27% | 0.27 | 9% | 0.086 | S | C | . | . | trans | -74 | 157.6 | 179.7 | 59.6 | 0 | 0 | 0 | 0 | 111.9 | S205 S227 G228 Q229 W307 | T202-S205 VanDerWaalsContact O-CB 3.31Å; T202-S205 WeakPolarHBondContact O-CB 3.35Å; T202-S205 PolarHBondContact O-N 2.99Å; T202-S205 PolarHBondContact O-OG 3.48Å; T202-S227 PolarHBondContact N-O 3.47Å; T202-S227 PolarHBondContact OG1-O 3.22Å; T202-G228 WeakPolarHBondContact OG1-CA 3.36Å; T202-G228 PolarHBondContact OG1-O 3.2Å; T202-Q229 HydrophobicContact CG2-CG 4.01Å; T202-W307 WeakPolarHBondContact CA-O 3.47Å | ||
| 203 | A | 87 | Confident | 96.1 | Very high | 24 Ų | 24 | 21.4 Ų | 21.4 | 20% | 0.198 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 140.7 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | S205 W307 | A203-S205 PolarHBondContact O-N 3.02Å; A203-W307 HydrophobicContact CB-CD2 4.43Å |
| 204 | S | 87 | Confident | 96 | Very high | 61 Ų | 61 | 21.9 Ų | 21.9 | 43% | 0.427 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 16 | -175.4 | -47.3 | 0 | 0 | 0 | 0 | 116.1 | W209 | S204-W209 WeakPolarHBondContact O-CZ2 3.24Š|
| 205 | S | 94.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | trans | -72 | 157.9 | 168.5 | 60.8 | 0 | 0 | 0 | 0 | 112.1 | T202 A203 L207 Y208 W209 S227 | T202-S205 VanDerWaalsContact O-CB 3.31Å; T202-S205 WeakPolarHBondContact O-CB 3.35Å; T202-S205 PolarHBondContact O-N 2.99Å; T202-S205 PolarHBondContact O-OG 3.48Å; A203-S205 PolarHBondContact O-N 3.02Å; S205-L207 PolarHBondContact O-N 3.44Å; S205-Y208 WeakPolarHBondContact O-CA 3.19Å; S205-Y208 WeakPolarHBondContact O-CB 3.33Å; S205-Y208 PolarHBondContact O-N 3.26Å; S205-Y208 WeakPolarHBondContact OG-CB 3.36Å; S205-Y208 PolarHBondContact OG-N 3.46Å; S205-W209 PolarHBondContact O-N 2.8Å; S205-S227 WeakPolarHBondContact CB-O 3.46Å | ||
| 206 | P | 97 | Very high | 95.8 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 10% | 0.104 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -52.6 | -37.2 | 170.6 | -27.8 | 34.1 | 0 | 0 | 0 | 113.8 | W209 F210 L216 L221 E225 V226 | P206-W209 HydrophobicContact CB-CE3 4.48Å; P206-W209 HydrophobicContact CG-CE3 4.49Å; P206-W209 HydrophobicContact CG-CZ3 4.4Å; P206-W209 PolarHBondContact O-N 3.1Å; P206-F210 PolarHBondContact O-N 2.7Å; P206-L216 HydrophobicContact CB-CD1 4.14Å; P206-L216 HydrophobicContact CB-CD2 4.28Å; P206-L221 HydrophobicContact CB-CD1 4.3Å; P206-L221 HydrophobicContact CB-CD2 3.92Å; P206-L221 HydrophobicContact CG-CD1 3.95Å; P206-L221 HydrophobicContact CG-CD2 4.45Å; P206-E225 VanDerWaalsContact CD-O 3.31Å; P206-E225 WeakPolarHBondContact CD-O 3.29Å; P206-V226 WeakPolarHBondContact CD-O 3.44Å |
| 207 | L | 97.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.1 | -41.8 | 174.4 | -173.8 | 149 | 0 | 0 | 0 | 111.8 | L158 K168 V172 F199 A201 S205 F210 L211 V226 | L158-L207 HydrophobicContact CD1-CD1 4.35Å; K168-L207 HydrophobicContact CB-CD1 3.66Å; V172-L207 HydrophobicContact CG2-CD1 4.2Å; V172-L207 HydrophobicContact CG2-CD2 4.31Å; V172-L207 HydrophobicContact CG2-CG 4.43Å; F199-L207 HydrophobicContact CD1-CD2 3.96Å; A201-L207 HydrophobicContact CB-CD2 4.01Å; S205-L207 PolarHBondContact O-N 3.44Å; L207-F210 WeakPolarHBondContact O-CB 3.4Å; L207-F210 PolarHBondContact O-N 2.7Å; L207-L211 HydrophobicContact CD2-CD1 4.19Å; L207-L211 PolarHBondContact O-N 3.09Å; L207-V226 HydrophobicContact CB-CG1 4.2Å; L207-V226 VanDerWaalsContact CB-O 3.3Å; L207-V226 WeakPolarHBondContact CB-O 3.46Å; L207-V226 PolarHBondContact N-O 3.39Å |
| 208 | Y | 96.2 | Very high | 95.5 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 4% | 0.035 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63 | -42.2 | 173.5 | 179.5 | -82.1 | 0 | 0 | 0 | 111.8 | S205 F210 L211 T212 P284 H310 F312 | S205-Y208 WeakPolarHBondContact O-CA 3.19Å; S205-Y208 WeakPolarHBondContact O-CB 3.33Å; S205-Y208 PolarHBondContact O-N 3.26Å; S205-Y208 WeakPolarHBondContact OG-CB 3.36Å; S205-Y208 PolarHBondContact OG-N 3.46Å; Y208-F210 VanDerWaalsContact C-N 3.34Å; Y208-F210 PolarHBondContact O-N 2.95Å; Y208-L211 PolarHBondContact O-N 2.92Å; Y208-T212 HydrophobicContact CD1-CG2 4.16Å; Y208-T212 HydrophobicContact CE1-CG2 3.7Å; Y208-T212 PolarHBondContact O-N 3.22Å; Y208-T212 PolarHBondContact O-OG1 2.95Å; Y208-P284 HydrophobicContact CE2-CB 4.46Å; Y208-P284 WeakPolarHBondContact OH-CB 3.39Å; Y208-P284 VanDerWaalsContact OH-CG 3.31Å; Y208-P284 WeakPolarHBondContact OH-CG 3.18Å; Y208-H310 AromaticContact CD2-CE1 3.8Å; Y208-H310 AromaticContact CD2-ND1 3.69Å; Y208-H310 AromaticContact CE2-ND1 3.71Å; Y208-F312 AromaticContact CD2-CE1 3.96Å; Y208-F312 HydrophobicContact CD2-CE1 3.96Å; Y208-F312 AromaticContact CD2-CZ 3.72Å; Y208-F312 HydrophobicContact CD2-CZ 3.72Å; Y208-F312 AromaticContact CE2-CE1 3.65Å; Y208-F312 HydrophobicContact CE2-CE1 3.65Å; Y208-F312 AromaticContact CE2-CZ 3.79Å; Y208-F312 HydrophobicContact CE2-CZ 3.79Å |
| 209 | W | 95.8 | Very high | 95.2 | Very high | 113 Ų | 113 | 40.8 Ų | 40.8 | 43% | 0.428 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.7 | -34.8 | 176.5 | -61.5 | -27.8 | 0 | 0 | 0 | 112.9 | S204 S205 P206 L211 T212 K213 | S204-W209 WeakPolarHBondContact O-CZ2 3.24Å; S205-W209 PolarHBondContact O-N 2.8Å; P206-W209 HydrophobicContact CB-CE3 4.48Å; P206-W209 HydrophobicContact CG-CE3 4.49Å; P206-W209 HydrophobicContact CG-CZ3 4.4Å; P206-W209 PolarHBondContact O-N 3.1Å; W209-L211 VanDerWaalsContact C-N 3.31Å; W209-L211 PolarHBondContact O-N 3.06Å; W209-T212 WeakPolarHBondContact CA-OG1 3.38Å; W209-T212 PolarHBondContact O-N 2.74Å; W209-K213 HydrophobicContact CB-CG 4.38Å; W209-K213 WeakPolarHBondContact O-CA 3.3Å; W209-K213 VanDerWaalsContact O-CB 3.24Å; W209-K213 WeakPolarHBondContact O-CB 3.31Å; W209-K213 WeakPolarHBondContact O-CG 3.44Å; W209-K213 PolarHBondContact O-N 3.38Å |
| 210 | F | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -55.8 | -49.7 | 172.9 | 170.3 | -132.6 | 0 | 0 | 0 | 111 | L169 V172 L176 P206 L207 Y208 G214 L216 V276 H278 | L169-F210 HydrophobicContact CD1-CB 4.21Å; L169-F210 HydrophobicContact CD1-CD1 3.4Å; L169-F210 VanDerWaalsContact CD1-CD1 3.4Å; L169-F210 HydrophobicContact CD1-CE1 3.96Å; L169-F210 HydrophobicContact CD1-CG 3.96Å; V172-F210 HydrophobicContact CG1-CD1 4.14Å; V172-F210 HydrophobicContact CG1-CE1 3.86Å; L176-F210 HydrophobicContact CD1-CE1 3.61Å; L176-F210 HydrophobicContact CD1-CZ 3.63Å; P206-F210 PolarHBondContact O-N 2.7Å; L207-F210 WeakPolarHBondContact O-CB 3.4Å; L207-F210 PolarHBondContact O-N 2.7Å; Y208-F210 VanDerWaalsContact C-N 3.34Å; Y208-F210 PolarHBondContact O-N 2.95Å; F210-G214 VanDerWaalsContact O-CA 3.25Å; F210-G214 WeakPolarHBondContact O-CA 3.35Å; F210-G214 PolarHBondContact O-N 3.45Å; F210-L216 HydrophobicContact CB-CB 3.79Å; F210-L216 HydrophobicContact CB-CD2 4.07Å; F210-L216 HydrophobicContact CD2-CB 4.02Å; F210-L216 HydrophobicContact CG-CB 4.19Å; F210-V276 HydrophobicContact CD2-CG1 3.88Å; F210-V276 HydrophobicContact CE1-CG1 4.38Å; F210-V276 HydrophobicContact CE1-CG2 4.37Å; F210-V276 HydrophobicContact CE2-CB 4.24Å; F210-V276 HydrophobicContact CE2-CG1 3.73Å; F210-V276 HydrophobicContact CE2-CG2 3.91Å; F210-V276 HydrophobicContact CG-CG1 4.29Å; F210-V276 HydrophobicContact CZ-CB 4.37Å; F210-V276 HydrophobicContact CZ-CG1 3.99Å; F210-V276 HydrophobicContact CZ-CG2 3.63Å; F210-H278 AromaticContact CE2-CD2 3.62Å; F210-H278 AromaticContact CZ-CD2 3.75Å; F210-H278 PolarHBondContact O-NE2 3.49Å; F210-H278 VanDerWaalsContact O-NE2 3.15Å |
| 211 | L | 97.4 | Very high | 94.9 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 179.3 | -71.8 | 167.9 | 0 | 0 | 0 | 112.4 | V172 L176 L195 F199 L207 Y208 W209 H278 F282 F312 | V172-L211 HydrophobicContact CG1-CD2 3.67Å; V172-L211 HydrophobicContact CG1-CG 4.26Å; L176-L211 HydrophobicContact CD1-CD2 4.3Å; L176-L211 HydrophobicContact CD2-CD2 4.32Å; L195-L211 HydrophobicContact CD2-CD2 3.86Å; F199-L211 HydrophobicContact CD1-CD1 4.02Å; F199-L211 HydrophobicContact CE1-CD1 3.6Å; F199-L211 HydrophobicContact CZ-CD1 4.41Å; L207-L211 HydrophobicContact CD2-CD1 4.19Å; L207-L211 PolarHBondContact O-N 3.09Å; Y208-L211 PolarHBondContact O-N 2.92Å; W209-L211 VanDerWaalsContact C-N 3.31Å; W209-L211 PolarHBondContact O-N 3.06Å; L211-H278 WeakPolarHBondContact CA-NE2 3.36Å; L211-H278 PolarHBondContact O-CE1 2.92Å; L211-H278 PolarHBondContact O-NE2 3.06Å; L211-H278 VanDerWaalsContact O-NE2 3.14Å; L211-F282 HydrophobicContact CD2-CD2 4.24Å; L211-F282 HydrophobicContact CD2-CE2 4.23Å; L211-F282 WeakPolarHBondContact O-CB 3.25Å; L211-F312 HydrophobicContact CB-CZ 4.44Å; L211-F312 HydrophobicContact CD1-CD2 4.22Å; L211-F312 HydrophobicContact CD1-CE2 3.6Å; L211-F312 HydrophobicContact CD1-CZ 3.91Å |
| 212 | T | 95.6 | Very high | 94.9 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 17% | 0.172 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -83.3 | -35.2 | -172.6 | 52.8 | 0 | 0 | 0 | 0 | 114 | Y208 W209 P284 F312 | Y208-T212 HydrophobicContact CD1-CG2 4.16Å; Y208-T212 HydrophobicContact CE1-CG2 3.7Å; Y208-T212 PolarHBondContact O-N 3.22Å; Y208-T212 PolarHBondContact O-OG1 2.95Å; W209-T212 WeakPolarHBondContact CA-OG1 3.38Å; W209-T212 PolarHBondContact O-N 2.74Å; T212-P284 HydrophobicContact CG2-CG 4.36Å; T212-F312 HydrophobicContact CG2-CD1 4.11Å; T212-F312 HydrophobicContact CG2-CE1 3.74Å |
| 213 | K | 95.5 | Very high | 95 | Very high | 128 Ų | 128 | 46.9 Ų | 46.9 | 56% | 0.557 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -93.6 | -11.5 | 179.7 | -48.2 | -59.2 | -180 | -168.4 | 0 | 112.2 | W209 K215 E289 | W209-K213 HydrophobicContact CB-CG 4.38Å; W209-K213 WeakPolarHBondContact O-CA 3.3Å; W209-K213 VanDerWaalsContact O-CB 3.24Å; W209-K213 WeakPolarHBondContact O-CB 3.31Å; W209-K213 WeakPolarHBondContact O-CG 3.44Å; W209-K213 PolarHBondContact O-N 3.38Å; K213-K215 PolarHBondContact O-N 3.32Å; K213-E289 IonicContact NZ-OE1 2.7Å; K213-E289 PolarHBondContact NZ-OE1 3.47Å |
| 214 | G | 95.8 | Very high | 95.4 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 76.3 | -2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F210 G277 H278 | F210-G214 VanDerWaalsContact O-CA 3.25Å; F210-G214 WeakPolarHBondContact O-CA 3.35Å; F210-G214 PolarHBondContact O-N 3.45Å; G214-G277 CarbonylContact O-C 3.54Å; G214-G277 WeakPolarHBondContact O-CA 3.43Å; G214-H278 PolarHBondContact O-N 3.47Å |
| 215 | K | 96.1 | Very high | 95.9 | Very high | 122 Ų | 122 | 46.6 Ų | 46.6 | 53% | 0.53 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 142.1 | 177.7 | -66.4 | -172.9 | -178.9 | -177.4 | 0 | 110.6 | K213 V276 | K213-K215 PolarHBondContact O-N 3.32Å; K215-V276 CarbonylContact C-O 3.53Å; K215-V276 WeakPolarHBondContact CA-O 3.42Å |
| 216 | L | 97.1 | Very high | 96 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 9% | 0.094 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 120.2 | 173.2 | 176.4 | 68.4 | 0 | 0 | 0 | 110.2 | L169 P206 F210 L221 Y275 V276 | L169-L216 HydrophobicContact CD1-CD2 4.02Å; L169-L216 HydrophobicContact CD2-CD2 3.81Å; P206-L216 HydrophobicContact CB-CD1 4.14Å; P206-L216 HydrophobicContact CB-CD2 4.28Å; F210-L216 HydrophobicContact CB-CB 3.79Å; F210-L216 HydrophobicContact CB-CD2 4.07Å; F210-L216 HydrophobicContact CD2-CB 4.02Å; F210-L216 HydrophobicContact CG-CB 4.19Å; L216-L221 HydrophobicContact CD1-CD2 4.43Å; L216-L221 HydrophobicContact CD2-CD2 4.07Å; L216-L221 HydrophobicContact CG-CD2 4.5Å; L216-Y275 CarbonylContact O-C 3.52Å; L216-Y275 WeakPolarHBondContact O-CA 3.16Å; L216-Y275 WeakPolarHBondContact O-CB 3.42Å; L216-V276 HydrophobicContact CB-CG1 4.08Å; L216-V276 PolarHBondContact N-O 2.89Å; L216-V276 PolarHBondContact O-N 2.89Å |
| 217 | F | 96.1 | Very high | 96 | Very high | 120 Ų | 120 | 45.8 Ų | 45.8 | 53% | 0.526 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 128.9 | 168.2 | -64.9 | -89.3 | 0 | 0 | 0 | 108.9 | Q273 Y275 | F217-Q273 HydrophobicContact CE1-CB 4.41Å; F217-Y275 HydrophobicContact CD1-CD1 4.32Å; F217-Y275 HydrophobicContact CD1-CG 4.29Å; F217-Y275 AromaticContact CE1-CD1 3.78Å; F217-Y275 HydrophobicContact CE1-CD1 3.78Å; F217-Y275 HydrophobicContact CE1-CG 4.02Å; F217-Y275 HydrophobicContact CZ-CD1 4.41Å; F217-Y275 HydrophobicContact CZ-CG 4.5Å |
| 218 | Y | 95.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | trans | -127.8 | 7.5 | -172.2 | 59.8 | -99.5 | 0 | 0 | 0 | 114.9 | A220 L221 V237 G238 Y239 L241 E250 A274 Y275 V276 | Y218-A220 VanDerWaalsContact C-N 3.26Å; Y218-A220 PolarHBondContact O-N 3.39Å; Y218-A220 VanDerWaalsContact O-N 3.16Å; Y218-L221 WeakPolarHBondContact O-CB 3.37Å; Y218-L221 PolarHBondContact O-N 2.92Å; Y218-V237 HydrophobicContact CD2-CB 3.97Å; Y218-V237 HydrophobicContact CD2-CG1 3.5Å; Y218-V237 HydrophobicContact CE2-CG1 4.08Å; Y218-V237 HydrophobicContact CG-CB 4.48Å; Y218-V237 HydrophobicContact CG-CG1 4.05Å; Y218-G238 WeakPolarHBondContact CE2-O 3.32Å; Y218-Y239 HydrophobicContact CE2-CD2 4.22Å; Y218-L241 HydrophobicContact CE1-CB 4.28Å; Y218-L241 HydrophobicContact CE1-CD2 4.42Å; Y218-L241 HydrophobicContact CE2-CB 4.15Å; Y218-L241 WeakPolarHBondContact OH-CB 3.27Å; Y218-E250 PolarHBondContact OH-OE2 2.93Å; Y218-A274 HydrophobicContact CD2-CB 4.08Å; Y218-A274 HydrophobicContact CE2-CB 3.72Å; Y218-A274 PolarHBondContact N-O 3.04Å; Y218-Y275 VanDerWaalsContact CE1-C 3.43Å; Y218-V276 HydrophobicContact CD1-CB 4.49Å; Y218-V276 HydrophobicContact CD1-CG1 4.21Å; Y218-V276 HydrophobicContact CE1-CB 4.04Å; Y218-V276 HydrophobicContact CE1-CG1 4.24Å | ||
| 219 | E | 92.1 | Very high | 95.7 | Very high | 137 Ų | 137 | 49 Ų | 49 | 64% | 0.64 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -39 | -177.9 | -169.8 | 171.5 | -174.5 | 0 | 0 | 114.2 | A274 | E219-A274 HydrophobicContact CB-CB 4.03Š|
| 220 | A | 92.5 | Very high | 95.3 | Very high | 71 Ų | 71 | 44.3 Ų | 44.3 | 59% | 0.587 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 5.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y218 P222 | Y218-A220 VanDerWaalsContact C-N 3.26Å; Y218-A220 PolarHBondContact O-N 3.39Å; Y218-A220 VanDerWaalsContact O-N 3.16Å; A220-P222 VanDerWaalsContact O-CD 3.32Å; A220-P222 WeakPolarHBondContact O-CD 3.38Å |
| 221 | L | 96.3 | Very high | 94.9 | Very high | 26 Ų | 26 | 48.7 Ų | 48.7 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | trans | -76.9 | 122.1 | -172.4 | -176.1 | 58.9 | 0 | 0 | 0 | 110.2 | P206 L216 Y218 V226 R236 V237 | P206-L221 HydrophobicContact CB-CD1 4.3Å; P206-L221 HydrophobicContact CB-CD2 3.92Å; P206-L221 HydrophobicContact CG-CD1 3.95Å; P206-L221 HydrophobicContact CG-CD2 4.45Å; L216-L221 HydrophobicContact CD1-CD2 4.43Å; L216-L221 HydrophobicContact CD2-CD2 4.07Å; L216-L221 HydrophobicContact CG-CD2 4.5Å; Y218-L221 WeakPolarHBondContact O-CB 3.37Å; Y218-L221 PolarHBondContact O-N 2.92Å; L221-V226 HydrophobicContact CD2-CG2 3.7Å; L221-V226 HydrophobicContact CG-CG2 3.9Å; L221-R236 WeakPolarHBondContact O-CA 3.22Å; L221-V237 HydrophobicContact CB-CG2 4.25Å; L221-V237 HydrophobicContact CD2-CG2 4.45Å; L221-V237 HydrophobicContact CG-CG2 4.29Å; L221-V237 WeakPolarHBondContact O-CG2 3.44Å; L221-V237 PolarHBondContact O-N 3.46Å | ||
| 222 | P | 97.1 | Very high | 94.7 | Very high | 26 Ų | 26 | 56 Ų | 56 | 17% | 0.169 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -70.3 | 131.4 | 172.4 | -19.4 | 35.2 | 0 | 0 | 0 | 110.2 | A220 H224 E225 G233 | A220-P222 VanDerWaalsContact O-CD 3.32Å; A220-P222 WeakPolarHBondContact O-CD 3.38Å; P222-H224 PolarHBondContact O-N 3.16Å; P222-E225 HydrophobicContact CB-CG 4.22Å; P222-E225 WeakPolarHBondContact CG-OE1 3.42Å; P222-E225 PolarHBondContact O-N 3.14Å; P222-G233 VanDerWaalsContact CB-O 3.23Å; P222-G233 WeakPolarHBondContact CB-O 3.46Å |
| 223 | R | 95.5 | Very high | 94.5 | Very high | 70 Ų | 70 | 55.9 Ų | 55.9 | 26% | 0.264 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -25.4 | -171.6 | 78.9 | -178.1 | -175.7 | 170 | 0.1 | 113.9 | R163 G165 D166 E225 P235 V237 | R163-R223 PolarHBondContact O-NE 3.45Å; G165-R223 WeakPolarHBondContact CA-O 3.44Å; G165-R223 PolarHBondContact N-O 3.49Å; D166-R223 HydrophobicContact CB-CB 3.89Å; D166-R223 WeakPolarHBondContact OD2-CD 3.35Å; R223-E225 PolarHBondContact O-N 3.01Å; R223-P235 WeakPolarHBondContact CG-O 3.3Å; R223-P235 PolarHBondContact N-O 3.24Å; R223-V237 HydrophobicContact CB-CG2 4.09Å |
| 224 | H | 96.4 | Very high | 94.2 | Very high | 22 Ų | 22 | 52 Ų | 52 | 10% | 0.102 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -26.2 | 177.8 | -57.4 | 172.3 | 0 | 0 | 0 | 111.3 | R163 P222 G230 V231 G233 | R163-H224 PolarHBondContact O-CD2 2.86Å; P222-H224 PolarHBondContact O-N 3.16Å; H224-G230 VanDerWaalsContact O-CA 3.3Å; H224-G230 WeakPolarHBondContact O-CA 3.35Å; H224-G230 PolarHBondContact O-N 3.46Å; H224-V231 VanDerWaalsContact CB-O 3.24Å; H224-V231 WeakPolarHBondContact CB-O 3.49Å; H224-G233 WeakPolarHBondContact CB-O 3.34Å; H224-G233 PolarHBondContact ND1-O 2.96Å |
| 225 | E | 96.7 | Very high | 94.2 | Very high | 58 Ų | 58 | 54.8 Ų | 54.8 | 27% | 0.271 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -15.6 | -176.9 | -64.2 | 177.3 | -145.8 | 0 | 0 | 112.8 | P206 P222 R223 S227 G228 L232 G233 | P206-E225 VanDerWaalsContact CD-O 3.31Å; P206-E225 WeakPolarHBondContact CD-O 3.29Å; P222-E225 HydrophobicContact CB-CG 4.22Å; P222-E225 WeakPolarHBondContact CG-OE1 3.42Å; P222-E225 PolarHBondContact O-N 3.14Å; R223-E225 PolarHBondContact O-N 3.01Å; E225-S227 PolarHBondContact O-N 3.44Å; E225-S227 VanDerWaalsContact O-N 3.16Å; E225-G228 PolarHBondContact O-N 3.16Å; E225-L232 HydrophobicContact CG-CD2 4.26Å; E225-G233 WeakPolarHBondContact OE1-CA 3.49Å; E225-G233 PolarHBondContact OE1-N 2.97Å |
| 226 | V | 97.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -38.1 | -174.8 | 175.6 | 0 | 0 | 0 | 0 | 112.6 | G165 L169 P206 L207 L221 V237 | G165-V226 WeakPolarHBondContact O-CG1 3.36Å; L169-V226 HydrophobicContact CB-CG1 4.05Å; L169-V226 HydrophobicContact CD2-CG1 4.43Å; P206-V226 WeakPolarHBondContact CD-O 3.44Å; L207-V226 HydrophobicContact CB-CG1 4.2Å; L207-V226 VanDerWaalsContact CB-O 3.3Å; L207-V226 WeakPolarHBondContact CB-O 3.46Å; L207-V226 PolarHBondContact N-O 3.39Å; L221-V226 HydrophobicContact CD2-CG2 3.7Å; L221-V226 HydrophobicContact CG-CG2 3.9Å; V226-V237 HydrophobicContact CG2-CG2 3.71Å |
| 227 | S | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -8.5 | 178.2 | 67.7 | 0 | 0 | 0 | 0 | 113.9 | A201 T202 S205 E225 Q229 | A201-S227 CarbonylContact C-O 3.51Å; A201-S227 WeakPolarHBondContact CA-O 3.41Å; T202-S227 PolarHBondContact N-O 3.47Å; T202-S227 PolarHBondContact OG1-O 3.22Å; S205-S227 WeakPolarHBondContact CB-O 3.46Å; E225-S227 PolarHBondContact O-N 3.44Å; E225-S227 VanDerWaalsContact O-N 3.16Å; S227-Q229 PolarHBondContact O-N 2.9Å; S227-Q229 VanDerWaalsContact O-N 3.14Å; S227-Q229 PolarHBondContact OG-N 3.32Å |
| 228 | G | 94.7 | Very high | 93.8 | Very high | 36 Ų | 36 | 53 Ų | 53 | 37% | 0.371 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 66.6 | 3.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | T202 E225 | T202-G228 WeakPolarHBondContact OG1-CA 3.36Å; T202-G228 PolarHBondContact OG1-O 3.2Å; E225-G228 PolarHBondContact O-N 3.16Å |
| 229 | Q | 92.3 | Very high | 93.6 | Very high | 42 Ų | 42 | 59.4 Ų | 59.4 | 20% | 0.196 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -94.5 | -28.6 | 175.1 | -61.4 | 177.5 | -62.5 | 0 | 0 | 112.8 | E162 N200 T202 S227 V308 | E162-Q229 HydrophobicContact CB-CB 3.92Å; E162-Q229 HydrophobicContact CG-CB 3.66Å; N200-Q229 PolarHBondContact O-OE1 2.79Å; T202-Q229 HydrophobicContact CG2-CG 4.01Å; S227-Q229 PolarHBondContact O-N 2.9Å; S227-Q229 VanDerWaalsContact O-N 3.14Å; S227-Q229 PolarHBondContact OG-N 3.32Å; Q229-V308 VanDerWaalsContact NE2-CG1 3.32Å |
| 230 | G | 87.4 | Confident | 93.6 | Very high | 15 Ų | 15 | 56.9 Ų | 56.9 | 16% | 0.155 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -77.1 | 163.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H224 | H224-G230 VanDerWaalsContact O-CA 3.3Å; H224-G230 WeakPolarHBondContact O-CA 3.35Å; H224-G230 PolarHBondContact O-N 3.46Å |
| 231 | V | 90.5 | Very high | 93.6 | Very high | 91 Ų | 91 | 53.9 Ų | 53.9 | 55% | 0.552 | 31% | 0.307 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 144.6 | 170.7 | -63 | 0 | 0 | 0 | 0 | 111.1 | H224 | H224-V231 VanDerWaalsContact CB-O 3.24Å; H224-V231 WeakPolarHBondContact CB-O 3.49Å |
| 232 | L | 91.6 | Very high | 93.5 | Very high | 156 Ų | 156 | 53 Ų | 53 | 82% | 0.817 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -56.2 | 138.4 | 177.5 | -63.4 | 176.6 | 0 | 0 | 0 | 111.7 | E225 | E225-L232 HydrophobicContact CG-CD2 4.26Š|
| 233 | G | 91.6 | Very high | 93.3 | Very high | 24 Ų | 24 | 53 Ų | 53 | 25% | 0.247 | 30% | 0.302 | C | S | . | . | trans | 87.1 | -145.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P222 H224 E225 | P222-G233 VanDerWaalsContact CB-O 3.23Å; P222-G233 WeakPolarHBondContact CB-O 3.46Å; H224-G233 WeakPolarHBondContact CB-O 3.34Å; H224-G233 PolarHBondContact ND1-O 2.96Å; E225-G233 WeakPolarHBondContact OE1-CA 3.49Å; E225-G233 PolarHBondContact OE1-N 2.97Å | ||
| 234 | G | 90.8 | Very high | 93.1 | Very high | 47 Ų | 47 | 58.6 Ų | 58.6 | 49% | 0.485 | 33% | 0.332 | S | S | . | . | trans | 92.7 | -175.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 235 | P | 94.8 | Very high | 93 | Very high | 68 Ų | 68 | 61.2 Ų | 61.2 | 44% | 0.442 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -61 | 147.6 | 177.8 | -20.5 | 33 | 0 | 0 | 0 | 111.3 | R223 | R223-P235 WeakPolarHBondContact CG-O 3.3Å; R223-P235 PolarHBondContact N-O 3.24Å |
| 236 | R | 95.3 | Very high | 92.8 | Very high | 173 Ų | 173 | 58.8 Ų | 58.8 | 65% | 0.653 | 35% | 0.347 | S | S | * | . | B | Isolated β-bridge | trans | -67.8 | 151.2 | 172.3 | -64 | -176.2 | -177.2 | -174.7 | 1.4 | 110.6 | L221 G238 | L221-R236 WeakPolarHBondContact O-CA 3.22Å; R236-G238 PolarHBondContact O-N 2.68Å |
| 237 | V | 94.9 | Very high | 92.7 | Very high | 9 Ų | 9 | 61 Ų | 61 | 6% | 0.055 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 132.4 | 168.1 | 179.9 | 0 | 0 | 0 | 0 | 108.9 | D166 Y218 L221 R223 V226 L241 | D166-V237 HydrophobicContact CB-CG1 4.16Å; D166-V237 HydrophobicContact CB-CG2 4.18Å; Y218-V237 HydrophobicContact CD2-CB 3.97Å; Y218-V237 HydrophobicContact CD2-CG1 3.5Å; Y218-V237 HydrophobicContact CE2-CG1 4.08Å; Y218-V237 HydrophobicContact CG-CB 4.48Å; Y218-V237 HydrophobicContact CG-CG1 4.05Å; L221-V237 HydrophobicContact CB-CG2 4.25Å; L221-V237 HydrophobicContact CD2-CG2 4.45Å; L221-V237 HydrophobicContact CG-CG2 4.29Å; L221-V237 WeakPolarHBondContact O-CG2 3.44Å; L221-V237 PolarHBondContact O-N 3.46Å; R223-V237 HydrophobicContact CB-CG2 4.09Å; V226-V237 HydrophobicContact CG2-CG2 3.71Å; V237-L241 HydrophobicContact CG1-CD1 3.77Å |
| 238 | G | 91.9 | Very high | 92.7 | Very high | 40 Ų | 40 | 61.5 Ų | 61.5 | 41% | 0.412 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -71.8 | 153.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y218 R236 P240 | Y218-G238 WeakPolarHBondContact CE2-O 3.32Å; R236-G238 PolarHBondContact O-N 2.68Å; G238-P240 CarbonylContact O-C 3.49Å |
| 239 | Y | 90.4 | Very high | 92.6 | Very high | 137 Ų | 137 | 59.9 Ų | 59.9 | 54% | 0.537 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -122.8 | 129.4 | 171.1 | 179 | -93.7 | 0 | 0 | 0 | 110.1 | Y218 A274 | Y218-Y239 HydrophobicContact CE2-CD2 4.22Å; Y239-A274 HydrophobicContact CD2-CB 3.48Å; Y239-A274 VanDerWaalsContact CD2-CB 3.48Å; Y239-A274 HydrophobicContact CE2-CB 4.1Å; Y239-A274 HydrophobicContact CG-CB 4.12Å |
| 240 | P | 91.7 | Very high | 92.7 | Very high | 83 Ų | 83 | 59 Ų | 59 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | S | Bend | cis | -64.4 | 155 | -6.6 | 29.9 | -35.3 | 0 | 0 | 0 | 111.9 | G238 E250 | G238-P240 CarbonylContact O-C 3.49Å; P240-E250 WeakPolarHBondContact CB-OE1 3.17Å |
| 241 | L | 93.4 | Very high | 92.9 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -71.1 | -49.2 | 173.9 | 173.6 | 73.2 | 0 | 0 | 0 | 110.5 | L169 C170 Y218 V237 E250 V276 | L169-L241 HydrophobicContact CB-CD1 4.47Å; L169-L241 HydrophobicContact CD2-CD1 4.07Å; L169-L241 HydrophobicContact CD2-CD2 3.79Å; L169-L241 HydrophobicContact CG-CD1 4.41Å; L169-L241 HydrophobicContact CG-CD2 3.81Å; C170-L241 WeakPolarHBondContact SG-CD1 3.31Å; C170-L241 VanDerWaalsContact SG-CG 3.52Å; C170-L241 PolarHBondContact SG-O 3.22Å; Y218-L241 HydrophobicContact CE1-CB 4.28Å; Y218-L241 HydrophobicContact CE1-CD2 4.42Å; Y218-L241 HydrophobicContact CE2-CB 4.15Å; Y218-L241 WeakPolarHBondContact OH-CB 3.27Å; V237-L241 HydrophobicContact CG1-CD1 3.77Å; L241-E250 VanDerWaalsContact CA-OE1 3.32Å; L241-E250 WeakPolarHBondContact CA-OE1 3.43Å; L241-E250 WeakPolarHBondContact CB-OE1 3.21Å; L241-E250 PolarHBondContact N-OE1 2.71Å; L241-V276 HydrophobicContact CD2-CB 4.08Å; L241-V276 HydrophobicContact CD2-CG1 4.22Å; L241-V276 HydrophobicContact CD2-CG2 4.16Å |
| 242 | L | 93.7 | Very high | 93 | Very high | 7 Ų | 7 | 56.1 Ų | 56.1 | 4% | 0.037 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -89.9 | 138.9 | 179.5 | -70.3 | 174.8 | 0 | 0 | 0 | 110.8 | C170 A173 L174 I248 E250 | C170-L242 HydrophobicContact CB-CD2 4.13Å; A173-L242 HydrophobicContact CB-CD1 4.07Å; A173-L242 HydrophobicContact CB-CD2 4.11Å; A173-L242 HydrophobicContact CB-CG 4.35Å; L174-L242 HydrophobicContact CD2-CD2 4.19Å; L174-L242 HydrophobicContact CG-CD2 4.15Å; L242-I248 HydrophobicContact CD1-CB 3.99Å; L242-I248 HydrophobicContact CD1-CG2 3.6Å; L242-E250 HydrophobicContact CB-CG 4.21Å; L242-E250 HydrophobicContact CD1-CG 4.09Å; L242-E250 HydrophobicContact CG-CG 4.27Å; L242-E250 PolarHBondContact N-OE1 2.82Å |
| 243 | P | 93.1 | Very high | 93.2 | Very high | 26 Ų | 26 | 48.7 Ų | 48.7 | 17% | 0.169 | 28% | 0.283 | C | S | . | . | trans | -67.9 | 148.2 | 171.5 | 30 | -34.5 | 0 | 0 | 0 | 110.6 | M117 T120 L122 A245 A246 | M117-P243 HydrophobicContact CE-CG 4.43Å; M117-P243 HydrophobicContact SD-CB 4.38Å; M117-P243 HydrophobicContact SD-CG 3.55Å; M117-P243 VanDerWaalsContact SD-CG 3.55Å; T120-P243 HydrophobicContact CG2-CB 3.6Å; T120-P243 HydrophobicContact CG2-CG 3.87Å; L122-P243 HydrophobicContact CD1-CG 3.89Å; P243-A245 PolarHBondContact O-N 2.94Å; P243-A245 VanDerWaalsContact O-N 3.14Å; P243-A246 HydrophobicContact CG-CB 4.32Å; P243-A246 WeakPolarHBondContact O-CB 3.23Å; P243-A246 PolarHBondContact O-N 2.86Å | ||
| 244 | E | 91.6 | Very high | 93.3 | Very high | 188 Ų | 188 | 49.4 Ų | 49.4 | 88% | 0.879 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -54.8 | -35.2 | 177.9 | -173.7 | 178.2 | -176.7 | 0 | 0 | 112.5 | A246 A247 | E244-A246 PolarHBondContact O-N 2.85Å; E244-A246 VanDerWaalsContact O-N 3.08Å; E244-A247 PolarHBondContact O-N 2.89Å |
| 245 | A | 92.3 | Very high | 93.6 | Very high | 76 Ų | 76 | 48.6 Ų | 48.6 | 63% | 0.628 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -59.4 | -19 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | M117 T120 P243 A247 | M117-A245 HydrophobicContact CG-CB 4.47Å; M117-A245 HydrophobicContact SD-CB 3.65Å; T120-A245 HydrophobicContact CG2-CB 4.47Å; P243-A245 PolarHBondContact O-N 2.94Å; P243-A245 VanDerWaalsContact O-N 3.14Å; A245-A247 PolarHBondContact O-N 3.34Å |
| 246 | A | 93.9 | Very high | 93.5 | Very high | 7 Ų | 7 | 49.4 Ų | 49.4 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -68 | -23.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M117 L174 P243 E244 I248 | M117-A246 HydrophobicContact CE-CB 3.79Å; M117-A246 HydrophobicContact SD-CB 4.37Å; L174-A246 HydrophobicContact CD2-CB 3.83Å; P243-A246 HydrophobicContact CG-CB 4.32Å; P243-A246 WeakPolarHBondContact O-CB 3.23Å; P243-A246 PolarHBondContact O-N 2.86Å; E244-A246 PolarHBondContact O-N 2.85Å; E244-A246 VanDerWaalsContact O-N 3.08Å; A246-I248 HydrophobicContact CB-CB 4.44Å; A246-I248 HydrophobicContact CB-CD1 4.26Å; A246-I248 WeakPolarHBondContact O-CG1 3.31Å; A246-I248 PolarHBondContact O-N 2.82Å |
| 247 | A | 95.2 | Very high | 93.3 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 38% | 0.38 | 25% | 0.253 | S | S | . | . | trans | 50.7 | 37.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | E244 A245 F255 H256 | E244-A247 PolarHBondContact O-N 2.89Å; A245-A247 PolarHBondContact O-N 3.34Å; A247-F255 CarbonylContact O-C 3.53Å; A247-F255 WeakPolarHBondContact O-CA 3.47Å; A247-H256 PolarHBondContact O-CD2 2.99Å; A247-H256 PolarHBondContact O-N 2.92Å | ||
| 248 | I | 95.1 | Very high | 93.1 | Very high | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.056 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.4 | -176.9 | -73.1 | 157.5 | 0 | 0 | 0 | 109.7 | L174 A177 L242 A246 E250 R254 F255 | L174-I248 HydrophobicContact CD2-CD1 3.55Å; A177-I248 HydrophobicContact CB-CD1 3.37Å; A177-I248 HydrophobicContact CB-CG1 3.61Å; A177-I248 HydrophobicContact CB-CG2 4.08Å; L242-I248 HydrophobicContact CD1-CB 3.99Å; L242-I248 HydrophobicContact CD1-CG2 3.6Å; A246-I248 HydrophobicContact CB-CB 4.44Å; A246-I248 HydrophobicContact CB-CD1 4.26Å; A246-I248 WeakPolarHBondContact O-CG1 3.31Å; A246-I248 PolarHBondContact O-N 2.82Å; I248-E250 PolarHBondContact O-N 3.49Å; I248-R254 WeakPolarHBondContact CA-O 3.43Å; I248-F255 HydrophobicContact CD1-CD1 4.14Å; I248-F255 HydrophobicContact CD1-CE1 3.63Å; I248-F255 HydrophobicContact CD1-CZ 4.1Å; I248-F255 HydrophobicContact CG1-CD1 3.56Å; I248-F255 HydrophobicContact CG1-CE1 3.6Å; I248-F255 HydrophobicContact CG1-CG 4.27Å; I248-F255 HydrophobicContact CG1-CZ 4.33Å |
| 249 | S | 94.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 121.8 | 167.9 | 166.9 | 0 | 0 | 0 | 0 | 109.9 | R251 S252 C253 R254 H256 D267 | S249-R251 PolarHBondContact O-N 2.99Å; S249-R251 PolarHBondContact OG-N 3.33Å; S249-S252 PolarHBondContact O-N 3.15Å; S249-S252 PolarHBondContact OG-OG 3.4Å; S249-C253 VanDerWaalsContact O-CA 3.25Å; S249-C253 WeakPolarHBondContact O-CA 3.46Å; S249-C253 PolarHBondContact O-N 3.04Å; S249-R254 PolarHBondContact N-O 3.29Å; S249-H256 PolarHBondContact N-CE1 3.11Å; S249-D267 VanDerWaalsContact CB-OD2 3.29Å; S249-D267 WeakPolarHBondContact CB-OD2 3.4Å; S249-D267 PolarHBondContact OG-OD1 3.47Å; S249-D267 PolarHBondContact OG-OD2 2.75Å |
| 250 | E | 92.6 | Very high | 92.6 | Very high | 23 Ų | 23 | 40.8 Ų | 40.8 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -31.7 | 174.9 | -66.5 | -179.8 | 163.8 | 0 | 0 | 112.1 | Y218 P240 L241 L242 I248 S252 V276 G277 | Y218-E250 PolarHBondContact OH-OE2 2.93Å; P240-E250 WeakPolarHBondContact CB-OE1 3.17Å; L241-E250 VanDerWaalsContact CA-OE1 3.32Å; L241-E250 WeakPolarHBondContact CA-OE1 3.43Å; L241-E250 WeakPolarHBondContact CB-OE1 3.21Å; L241-E250 PolarHBondContact N-OE1 2.71Å; L242-E250 HydrophobicContact CB-CG 4.21Å; L242-E250 HydrophobicContact CD1-CG 4.09Å; L242-E250 HydrophobicContact CG-CG 4.27Å; L242-E250 PolarHBondContact N-OE1 2.82Å; I248-E250 PolarHBondContact O-N 3.49Å; E250-S252 PolarHBondContact O-N 2.8Å; E250-V276 CarbonylContact O-C 3.58Å; E250-V276 VanDerWaalsContact O-CA 3.24Å; E250-V276 WeakPolarHBondContact O-CA 3.32Å; E250-V276 WeakPolarHBondContact O-CG2 3.5Å; E250-G277 PolarHBondContact O-N 2.85Å |
| 251 | R | 91.8 | Very high | 92 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 15% | 0.151 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -24.7 | -174.3 | -62 | -177.5 | 177.3 | -85.5 | -13.9 | 113.7 | S249 D267 D271 Y275 G277 | S249-R251 PolarHBondContact O-N 2.99Å; S249-R251 PolarHBondContact OG-N 3.33Å; R251-D267 WeakPolarHBondContact CD-OD1 3.48Å; R251-D271 IonicContact CZ-OD2 3.33Å; R251-D271 VanDerWaalsContact NH1-CG 3.34Å; R251-D271 IonicContact NH1-OD2 3.84Å; R251-D271 PolarHBondContact NH1-OD2 3.16Å; R251-D271 PolarHBondContact NH2-O 3.4Å; R251-D271 IonicContact NH2-OD1 3.88Å; R251-D271 IonicContact NH2-OD2 2.8Å; R251-Y275 HydrophobicContact CB-CE2 4Å; R251-Y275 HydrophobicContact CG-CE1 4.5Å; R251-Y275 HydrophobicContact CG-CE2 4.05Å; R251-Y275 WeakPolarHBondContact CG-OH 3.22Å; R251-Y275 PolarHBondContact NH1-OH 3.02Å; R251-G277 CarbonylContact C-O 3.51Å; R251-G277 CarbonylContact O-C 3.57Å; R251-G277 WeakPolarHBondContact O-CA 3.42Å |
| 252 | S | 92.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 5% | 0.049 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.4 | -5.6 | -173.9 | 62.7 | 0 | 0 | 0 | 0 | 114.1 | Q180 S249 E250 R254 G277 | Q180-S252 PolarHBondContact NE2-O 2.83Å; S249-S252 PolarHBondContact O-N 3.15Å; S249-S252 PolarHBondContact OG-OG 3.4Å; E250-S252 PolarHBondContact O-N 2.8Å; S252-R254 PolarHBondContact O-N 2.82Å; S252-G277 CarbonylContact C-O 3.56Å; S252-G277 WeakPolarHBondContact CA-O 3.46Å; S252-G277 PolarHBondContact N-O 2.77Å |
| 253 | C | 96 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.3 | 48.3 | -168.6 | -70 | 0 | 0 | 0 | 0 | 110.8 | L176 A177 Q180 S249 G277 H278 | L176-C253 HydrophobicContact CB-CB 3.81Å; A177-C253 WeakPolarHBondContact CA-O 3.45Å; A177-C253 WeakPolarHBondContact CB-O 3.49Å; A177-C253 PolarHBondContact N-O 3.1Å; Q180-C253 PolarHBondContact NE2-O 3.03Å; S249-C253 VanDerWaalsContact O-CA 3.25Å; S249-C253 WeakPolarHBondContact O-CA 3.46Å; S249-C253 PolarHBondContact O-N 3.04Å; C253-G277 PolarHBondContact N-O 3.2Å; C253-G277 PolarHBondContact SG-O 3.34Å; C253-H278 HydrophobicContact CB-CB 4.25Å |
| 254 | R | 94.8 | Very high | 88.3 | Confident | 38 Ų | 38 | 50.7 Ų | 50.7 | 14% | 0.143 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 148 | 175.7 | -67.7 | -170.7 | 69 | -179.6 | -2.7 | 110.3 | I248 S249 S252 L259 | I248-R254 WeakPolarHBondContact CA-O 3.43Å; S249-R254 PolarHBondContact N-O 3.29Å; S252-R254 PolarHBondContact O-N 2.82Å; R254-L259 HydrophobicContact CB-CD1 4.29Å; R254-L259 HydrophobicContact CB-CD2 3.99Å; R254-L259 HydrophobicContact CB-CG 4Å |
| 255 | F | 95.2 | Very high | 86.7 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 13% | 0.132 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 138.4 | 173.3 | -66.5 | -73.2 | 0 | 0 | 0 | 110.7 | A177 H178 Q181 A247 I248 A257 D258 L259 | A177-F255 HydrophobicContact CB-CD2 4.29Å; A177-F255 HydrophobicContact CB-CE1 4.44Å; A177-F255 HydrophobicContact CB-CE2 3.87Å; A177-F255 HydrophobicContact CB-CZ 3.93Å; H178-F255 AromaticContact CD2-CZ 3.81Å; H178-F255 AromaticContact CE1-CZ 3.53Å; H178-F255 AromaticContact CG-CZ 3.92Å; H178-F255 AromaticContact ND1-CZ 3.73Å; H178-F255 AromaticContact NE2-CZ 3.58Å; Q181-F255 HydrophobicContact CB-CD2 4.36Å; Q181-F255 HydrophobicContact CB-CE2 4.37Å; A247-F255 CarbonylContact O-C 3.53Å; A247-F255 WeakPolarHBondContact O-CA 3.47Å; I248-F255 HydrophobicContact CD1-CD1 4.14Å; I248-F255 HydrophobicContact CD1-CE1 3.63Å; I248-F255 HydrophobicContact CD1-CZ 4.1Å; I248-F255 HydrophobicContact CG1-CD1 3.56Å; I248-F255 HydrophobicContact CG1-CE1 3.6Å; I248-F255 HydrophobicContact CG1-CG 4.27Å; I248-F255 HydrophobicContact CG1-CZ 4.33Å; F255-A257 PolarHBondContact O-N 2.93Å; F255-D258 PolarHBondContact O-N 2.91Å; F255-L259 PolarHBondContact O-N 2.86Å; F255-L259 VanDerWaalsContact O-N 3.16Å |
| 256 | H | 93.9 | Very high | 84.9 | Confident | 86 Ų | 86 | 49.1 Ų | 49.1 | 40% | 0.398 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.4 | -35 | 176.9 | -66.2 | -54.6 | 0 | 0 | 0 | 112.1 | A247 S249 D258 L259 A260 D267 | A247-H256 PolarHBondContact O-CD2 2.99Å; A247-H256 PolarHBondContact O-N 2.92Å; S249-H256 PolarHBondContact N-CE1 3.11Å; H256-D258 VanDerWaalsContact C-N 3.34Å; H256-D258 PolarHBondContact O-N 3.28Å; H256-L259 PolarHBondContact O-N 3.44Å; H256-A260 WeakPolarHBondContact O-CB 3.49Å; H256-A260 PolarHBondContact O-N 3.49Å; H256-D267 IonicContact CE1-OD2 3.94Å; H256-D267 IonicContact ND1-OD2 2.95Å |
| 257 | A | 91.7 | Very high | 83.1 | Confident | 63 Ų | 63 | 52 Ų | 52 | 52% | 0.521 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | F255 Q261 | F255-A257 PolarHBondContact O-N 2.93Å; A257-Q261 WeakPolarHBondContact O-CG 3.45Å; A257-Q261 PolarHBondContact O-N 3.39Å |
| 258 | D | 88.9 | Confident | 81 | Confident | 25 Ų | 25 | 53 Ų | 53 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.8 | -36.4 | 179.1 | -63.1 | -14.5 | 0 | 0 | 0 | 111.2 | Q181 F255 H256 S262 | Q181-D258 WeakPolarHBondContact CG-OD2 3.37Å; Q181-D258 PolarHBondContact NE2-OD1 2.66Å; Q181-D258 VanDerWaalsContact NE2-OD1 3.09Å; Q181-D258 PolarHBondContact NE2-OD2 2.88Å; Q181-D258 VanDerWaalsContact NE2-OD2 3.16Å; F255-D258 PolarHBondContact O-N 2.91Å; H256-D258 VanDerWaalsContact C-N 3.34Å; H256-D258 PolarHBondContact O-N 3.28Å; D258-S262 PolarHBondContact O-N 3.48Å |
| 259 | L | 86.8 | Confident | 79.1 | Confident | 9 Ų | 9 | 57.2 Ų | 57.2 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.2 | -43.4 | 177.4 | -67.1 | 172.8 | 0 | 0 | 0 | 111.6 | R254 F255 H256 Q261 S262 G263 S264 | R254-L259 HydrophobicContact CB-CD1 4.29Å; R254-L259 HydrophobicContact CB-CD2 3.99Å; R254-L259 HydrophobicContact CB-CG 4Å; F255-L259 PolarHBondContact O-N 2.86Å; F255-L259 VanDerWaalsContact O-N 3.16Å; H256-L259 PolarHBondContact O-N 3.44Å; L259-Q261 VanDerWaalsContact C-N 3.28Å; L259-Q261 PolarHBondContact O-N 2.81Å; L259-S262 PolarHBondContact O-N 2.86Å; L259-S262 VanDerWaalsContact O-N 3.09Å; L259-S262 PolarHBondContact O-OG 3.1Å; L259-G263 PolarHBondContact O-N 2.97Å; L259-S264 WeakPolarHBondContact CD2-OG 3.38Å |
| 260 | A | 85.6 | Confident | 77.2 | Confident | 80 Ų | 80 | 64.8 Ų | 64.8 | 66% | 0.661 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.1 | -38.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | H256 S262 | H256-A260 WeakPolarHBondContact O-CB 3.49Å; H256-A260 PolarHBondContact O-N 3.49Å; A260-S262 VanDerWaalsContact C-N 3.33Å; A260-S262 PolarHBondContact O-N 3.46Å |
| 261 | Q | 79.7 | Confident | 75.7 | Confident | 165 Ų | 165 | 66.1 Ų | 66.1 | 77% | 0.771 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -69.1 | -30.1 | 177 | -69.6 | 173.6 | 25.7 | 0 | 0 | 113.2 | A257 L259 | A257-Q261 WeakPolarHBondContact O-CG 3.45Å; A257-Q261 PolarHBondContact O-N 3.39Å; L259-Q261 VanDerWaalsContact C-N 3.28Å; L259-Q261 PolarHBondContact O-N 2.81Å |
| 262 | S | 73.1 | Confident | 74.7 | Confident | 66 Ų | 66 | 72.8 Ų | 72.8 | 46% | 0.462 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -5.2 | -178.2 | 69.3 | 0 | 0 | 0 | 0 | 114.6 | D258 L259 A260 S264 | D258-S262 PolarHBondContact O-N 3.48Å; L259-S262 PolarHBondContact O-N 2.86Å; L259-S262 VanDerWaalsContact O-N 3.09Å; L259-S262 PolarHBondContact O-OG 3.1Å; A260-S262 VanDerWaalsContact C-N 3.33Å; A260-S262 PolarHBondContact O-N 3.46Å; S262-S264 PolarHBondContact O-N 2.95Å; S262-S264 PolarHBondContact OG-OG 3.49Å; S262-S264 VanDerWaalsContact OG-OG 3.07Å |
| 263 | G | 68.1 | Low | 74.2 | Confident | 55 Ų | 55 | 77 Ų | 77 | 57% | 0.567 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 7.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L259 H265 | L259-G263 PolarHBondContact O-N 2.97Å; G263-H265 PolarHBondContact O-N 3.45Å; G263-H265 VanDerWaalsContact O-N 3.17Å |
| 264 | S | 61.7 | Low | 73.9 | Confident | 48 Ų | 48 | 77.4 Ų | 77.4 | 34% | 0.336 | 45% | 0.451 | S | S | . | . | trans | -75.8 | 104.6 | 176.7 | 70.3 | 0 | 0 | 0 | 0 | 110.1 | L259 S262 A266 | L259-S264 WeakPolarHBondContact CD2-OG 3.38Å; S262-S264 PolarHBondContact O-N 2.95Å; S262-S264 PolarHBondContact OG-OG 3.49Å; S262-S264 VanDerWaalsContact OG-OG 3.07Å; S264-A266 PolarHBondContact O-N 3.16Å | ||
| 265 | H | 56.6 | Low | 73.9 | Confident | 184 Ų | 184 | 76.9 Ų | 76.9 | 85% | 0.852 | 45% | 0.449 | S | S | * | . | trans | -74 | 59.7 | 163.2 | -66.5 | -69 | 0 | 0 | 0 | 109.8 | G263 D267 | G263-H265 PolarHBondContact O-N 3.45Å; G263-H265 VanDerWaalsContact O-N 3.17Å; H265-D267 VanDerWaalsContact C-N 3.28Å; H265-D267 PolarHBondContact O-N 3.41Å | ||
| 266 | A | 54.6 | Low | 73.9 | Confident | 46 Ų | 46 | 75.4 Ų | 75.4 | 38% | 0.38 | 44% | 0.443 | S | S | . | . | trans | -70.7 | -26.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S264 S268 | S264-A266 PolarHBondContact O-N 3.16Å; A266-S268 PolarHBondContact O-N 3.29Å | ||
| 267 | D | 56.2 | Low | 74 | Confident | 67 Ų | 67 | 71.4 Ų | 71.4 | 36% | 0.358 | 42% | 0.424 | S | S | . | . | trans | -98.9 | 70.9 | 177.1 | -60.3 | -29.8 | 0 | 0 | 0 | 109.2 | S249 R251 H256 H265 A269 | S249-D267 VanDerWaalsContact CB-OD2 3.29Å; S249-D267 WeakPolarHBondContact CB-OD2 3.4Å; S249-D267 PolarHBondContact OG-OD1 3.47Å; S249-D267 PolarHBondContact OG-OD2 2.75Å; R251-D267 WeakPolarHBondContact CD-OD1 3.48Å; H256-D267 IonicContact CE1-OD2 3.94Å; H256-D267 IonicContact ND1-OD2 2.95Å; H265-D267 VanDerWaalsContact C-N 3.28Å; H265-D267 PolarHBondContact O-N 3.41Å; D267-A269 PolarHBondContact O-N 3.29Å; D267-A269 VanDerWaalsContact O-N 3.09Å | ||
| 268 | S | 52.5 | Low | 74.2 | Confident | 68 Ų | 68 | 69.2 Ų | 69.2 | 48% | 0.476 | 40% | 0.403 | S | S | . | . | trans | -63.9 | 115.4 | 164.7 | 77.5 | 0 | 0 | 0 | 0 | 107.1 | A266 L270 D271 | A266-S268 PolarHBondContact O-N 3.29Å; S268-L270 PolarHBondContact O-N 2.99Å; S268-D271 PolarHBondContact O-N 2.91Å | ||
| 269 | A | 53.9 | Low | 74.4 | Confident | 99 Ų | 99 | 72.8 Ų | 72.8 | 82% | 0.818 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -4.3 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | D267 | D267-A269 PolarHBondContact O-N 3.29Å; D267-A269 VanDerWaalsContact O-N 3.09Å |
| 270 | L | 53.8 | Low | 74.7 | Confident | 162 Ų | 162 | 72.6 Ų | 72.6 | 85% | 0.848 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -23.2 | -177.8 | -71 | 165.2 | 0 | 0 | 0 | 114 | S268 K272 | S268-L270 PolarHBondContact O-N 2.99Å; L270-K272 PolarHBondContact O-N 3.24Å |
| 271 | D | 62.7 | Low | 75.1 | Confident | 51 Ų | 51 | 76.3 Ų | 76.3 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | trans | -86 | 113.6 | 177.8 | -172.3 | 3.9 | 0 | 0 | 0 | 109.4 | R251 S268 Q273 | R251-D271 IonicContact CZ-OD2 3.33Å; R251-D271 VanDerWaalsContact NH1-CG 3.34Å; R251-D271 IonicContact NH1-OD2 3.84Å; R251-D271 PolarHBondContact NH1-OD2 3.16Å; R251-D271 PolarHBondContact NH2-O 3.4Å; R251-D271 IonicContact NH2-OD1 3.88Å; R251-D271 IonicContact NH2-OD2 2.8Å; S268-D271 PolarHBondContact O-N 2.91Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.38Å; D271-Q273 VanDerWaalsContact OD1-CG 3.3Å; D271-Q273 WeakPolarHBondContact OD1-CG 3.35Å; D271-Q273 PolarHBondContact OD1-N 2.94Å; D271-Q273 VanDerWaalsContact OD1-N 3.1Å | ||
| 272 | K | 70.6 | Confident | 75.9 | Confident | 179 Ų | 179 | 68.8 Ų | 68.8 | 78% | 0.778 | 38% | 0.384 | S | S | * | . | trans | -96.9 | 5.6 | -178.7 | -68.2 | -173.7 | 178.3 | -178.4 | 0 | 113 | L270 A274 | L270-K272 PolarHBondContact O-N 3.24Å; K272-A274 PolarHBondContact O-N 2.75Å | ||
| 273 | Q | 82.2 | Confident | 77 | Confident | 97 Ų | 97 | 68.4 Ų | 68.4 | 45% | 0.453 | 38% | 0.379 | S | S | . | . | trans | -68 | 128 | -179.1 | -68.7 | -179.9 | -4.7 | 0 | 0 | 111.1 | F217 D271 Y275 | F217-Q273 HydrophobicContact CE1-CB 4.41Å; D271-Q273 WeakPolarHBondContact OD1-CB 3.38Å; D271-Q273 VanDerWaalsContact OD1-CG 3.3Å; D271-Q273 WeakPolarHBondContact OD1-CG 3.35Å; D271-Q273 PolarHBondContact OD1-N 2.94Å; D271-Q273 VanDerWaalsContact OD1-N 3.1Å; Q273-Y275 HydrophobicContact CB-CD1 4.09Å; Q273-Y275 PolarHBondContact O-N 2.66Å | ||
| 274 | A | 89.8 | Confident | 78.3 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | trans | -78.1 | 87.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y218 E219 Y239 K272 | Y218-A274 HydrophobicContact CD2-CB 4.08Å; Y218-A274 HydrophobicContact CE2-CB 3.72Å; Y218-A274 PolarHBondContact N-O 3.04Å; E219-A274 HydrophobicContact CB-CB 4.03Å; Y239-A274 HydrophobicContact CD2-CB 3.48Å; Y239-A274 VanDerWaalsContact CD2-CB 3.48Å; Y239-A274 HydrophobicContact CE2-CB 4.1Å; Y239-A274 HydrophobicContact CG-CB 4.12Å; K272-A274 PolarHBondContact O-N 2.75Å | ||
| 275 | Y | 94.3 | Very high | 79.9 | Confident | 27 Ų | 27 | 64.7 Ų | 64.7 | 11% | 0.106 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 149.4 | 173.2 | 81.7 | -100.4 | 0 | 0 | 0 | 112.3 | L216 F217 Y218 R251 Q273 | L216-Y275 CarbonylContact O-C 3.52Å; L216-Y275 WeakPolarHBondContact O-CA 3.16Å; L216-Y275 WeakPolarHBondContact O-CB 3.42Å; F217-Y275 HydrophobicContact CD1-CD1 4.32Å; F217-Y275 HydrophobicContact CD1-CG 4.29Å; F217-Y275 AromaticContact CE1-CD1 3.78Å; F217-Y275 HydrophobicContact CE1-CD1 3.78Å; F217-Y275 HydrophobicContact CE1-CG 4.02Å; F217-Y275 HydrophobicContact CZ-CD1 4.41Å; F217-Y275 HydrophobicContact CZ-CG 4.5Å; Y218-Y275 VanDerWaalsContact CE1-C 3.43Å; R251-Y275 HydrophobicContact CB-CE2 4Å; R251-Y275 HydrophobicContact CG-CE1 4.5Å; R251-Y275 HydrophobicContact CG-CE2 4.05Å; R251-Y275 WeakPolarHBondContact CG-OH 3.22Å; R251-Y275 PolarHBondContact NH1-OH 3.02Å; Q273-Y275 HydrophobicContact CB-CD1 4.09Å; Q273-Y275 PolarHBondContact O-N 2.66Å |
| 276 | V | 95.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 142.4 | 171.9 | 64 | 0 | 0 | 0 | 0 | 108.8 | L169 A173 F210 K215 L216 Y218 L241 E250 | L169-V276 HydrophobicContact CD1-CG1 4.26Å; L169-V276 HydrophobicContact CD2-CG1 4.17Å; L169-V276 HydrophobicContact CG-CG1 4.39Å; A173-V276 HydrophobicContact CB-CG2 4.19Å; F210-V276 HydrophobicContact CD2-CG1 3.88Å; F210-V276 HydrophobicContact CE1-CG1 4.38Å; F210-V276 HydrophobicContact CE1-CG2 4.37Å; F210-V276 HydrophobicContact CE2-CB 4.24Å; F210-V276 HydrophobicContact CE2-CG1 3.73Å; F210-V276 HydrophobicContact CE2-CG2 3.91Å; F210-V276 HydrophobicContact CG-CG1 4.29Å; F210-V276 HydrophobicContact CZ-CB 4.37Å; F210-V276 HydrophobicContact CZ-CG1 3.99Å; F210-V276 HydrophobicContact CZ-CG2 3.63Å; K215-V276 CarbonylContact C-O 3.53Å; K215-V276 WeakPolarHBondContact CA-O 3.42Å; L216-V276 HydrophobicContact CB-CG1 4.08Å; L216-V276 PolarHBondContact N-O 2.89Å; L216-V276 PolarHBondContact O-N 2.89Å; Y218-V276 HydrophobicContact CD1-CB 4.49Å; Y218-V276 HydrophobicContact CD1-CG1 4.21Å; Y218-V276 HydrophobicContact CE1-CB 4.04Å; Y218-V276 HydrophobicContact CE1-CG1 4.24Å; L241-V276 HydrophobicContact CD2-CB 4.08Å; L241-V276 HydrophobicContact CD2-CG1 4.22Å; L241-V276 HydrophobicContact CD2-CG2 4.16Å; E250-V276 CarbonylContact O-C 3.58Å; E250-V276 VanDerWaalsContact O-CA 3.24Å; E250-V276 WeakPolarHBondContact O-CA 3.32Å; E250-V276 WeakPolarHBondContact O-CG2 3.5Å |
| 277 | G | 96.4 | Very high | 82.7 | Confident | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 157.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | G214 E250 R251 S252 C253 | G214-G277 CarbonylContact O-C 3.54Å; G214-G277 WeakPolarHBondContact O-CA 3.43Å; E250-G277 PolarHBondContact O-N 2.85Å; R251-G277 CarbonylContact C-O 3.51Å; R251-G277 CarbonylContact O-C 3.57Å; R251-G277 WeakPolarHBondContact O-CA 3.42Å; S252-G277 CarbonylContact C-O 3.56Å; S252-G277 WeakPolarHBondContact CA-O 3.46Å; S252-G277 PolarHBondContact N-O 2.77Å; C253-G277 PolarHBondContact N-O 3.2Å; C253-G277 PolarHBondContact SG-O 3.34Å |
| 278 | H | 95.5 | Very high | 83.2 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | trans | -142.6 | 168.7 | 172.6 | 66.8 | 75.4 | 0 | 0 | 0 | 111.7 | L176 F210 L211 G214 C253 L280 F282 | L176-H278 HydrophobicContact CD1-CB 4.03Å; L176-H278 VanDerWaalsContact CD1-CD2 3.49Å; L176-H278 WeakPolarHBondContact CD1-CD2 3.48Å; F210-H278 AromaticContact CE2-CD2 3.62Å; F210-H278 AromaticContact CZ-CD2 3.75Å; F210-H278 PolarHBondContact O-NE2 3.49Å; F210-H278 VanDerWaalsContact O-NE2 3.15Å; L211-H278 WeakPolarHBondContact CA-NE2 3.36Å; L211-H278 PolarHBondContact O-CE1 2.92Å; L211-H278 PolarHBondContact O-NE2 3.06Å; L211-H278 VanDerWaalsContact O-NE2 3.14Å; G214-H278 PolarHBondContact O-N 3.47Å; C253-H278 HydrophobicContact CB-CB 4.25Å; H278-L280 PolarHBondContact CE1-O 3.21Å; H278-L280 PolarHBondContact ND1-N 3.16Å; H278-L280 PolarHBondContact ND1-O 3.23Å; H278-F282 AromaticContact CE1-CD2 3.61Å | ||
| 279 | Q | 92.2 | Very high | 83.5 | Confident | 101 Ų | 101 | 57.8 Ų | 57.8 | 47% | 0.472 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -104.8 | -12.7 | -175.1 | -61.6 | -175 | 7.1 | 0 | 0 | 113.9 | F190 | F190-Q279 HydrophobicContact CE2-CB 3.64Å; F190-Q279 HydrophobicContact CZ-CB 4.1Å |
| 280 | L | 94.4 | Very high | 83.5 | Confident | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | trans | -65.3 | 136.3 | 172.5 | -62.8 | 173.3 | 0 | 0 | 0 | 110 | L176 L179 Q180 F190 V193 H278 F282 | L176-L280 HydrophobicContact CD2-CD1 4.21Å; L179-L280 HydrophobicContact CD2-CD1 4.03Å; L179-L280 HydrophobicContact CG-CD1 4.04Å; Q180-L280 HydrophobicContact CG-CD1 3.87Å; Q180-L280 HydrophobicContact CG-CD2 4.4Å; Q180-L280 HydrophobicContact CG-CG 3.85Å; F190-L280 HydrophobicContact CB-CD2 3.93Å; F190-L280 HydrophobicContact CD1-CD2 4.24Å; F190-L280 HydrophobicContact CD2-CD2 3.86Å; F190-L280 HydrophobicContact CE2-CD2 4.48Å; F190-L280 HydrophobicContact CG-CD2 3.72Å; V193-L280 HydrophobicContact CG2-CD2 3.97Å; H278-L280 PolarHBondContact CE1-O 3.21Å; H278-L280 PolarHBondContact ND1-N 3.16Å; H278-L280 PolarHBondContact ND1-O 3.23Å; L280-F282 HydrophobicContact CB-CD2 4.09Å; L280-F282 HydrophobicContact CB-CE2 3.69Å; L280-F282 HydrophobicContact CB-CZ 3.94Å; L280-F282 HydrophobicContact CD1-CE1 4.42Å; L280-F282 HydrophobicContact CD1-CE2 3.81Å; L280-F282 HydrophobicContact CD1-CZ 3.51Å; L280-F282 HydrophobicContact CG-CE2 4.4Å; L280-F282 HydrophobicContact CG-CZ 4.35Å; L280-F282 PolarHBondContact O-N 3.14Å | ||
| 281 | K | 93.8 | Very high | 83.3 | Confident | 157 Ų | 157 | 59.1 Ų | 59.1 | 68% | 0.683 | 30% | 0.296 | S | S | * | . | trans | -100.2 | 75 | -179.6 | -65.7 | -176.2 | -179.5 | -177.9 | 0 | 109.1 | T283 S314 | K281-T283 PolarHBondContact O-N 3.25Å; K281-S314 PolarHBondContact N-OG 3.39Å; K281-S314 WeakPolarHBondContact O-CA 3.32Å | ||
| 282 | F | 96.4 | Very high | 83 | Confident | 7 Ų | 7 | 59 Ų | 59 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | trans | -70 | 129.5 | -177.1 | -73.3 | -61.2 | 0 | 0 | 0 | 111.8 | L176 L179 V193 L195 L211 H278 L280 F312 Y313 | L176-F282 HydrophobicContact CD2-CE2 3.61Å; L176-F282 HydrophobicContact CD2-CZ 4.12Å; L179-F282 HydrophobicContact CD2-CZ 4.16Å; V193-F282 HydrophobicContact CB-CE1 4.49Å; V193-F282 HydrophobicContact CG1-CE1 3.99Å; V193-F282 HydrophobicContact CG1-CZ 4.29Å; L195-F282 HydrophobicContact CB-CE1 3.71Å; L195-F282 HydrophobicContact CB-CZ 3.91Å; L195-F282 HydrophobicContact CD2-CE1 4.26Å; L195-F282 HydrophobicContact CD2-CE2 4.03Å; L195-F282 HydrophobicContact CD2-CZ 3.73Å; L195-F282 HydrophobicContact CG-CZ 4.48Å; L211-F282 HydrophobicContact CD2-CD2 4.24Å; L211-F282 HydrophobicContact CD2-CE2 4.23Å; L211-F282 WeakPolarHBondContact O-CB 3.25Å; H278-F282 AromaticContact CE1-CD2 3.61Å; L280-F282 HydrophobicContact CB-CD2 4.09Å; L280-F282 HydrophobicContact CB-CE2 3.69Å; L280-F282 HydrophobicContact CB-CZ 3.94Å; L280-F282 HydrophobicContact CD1-CE1 4.42Å; L280-F282 HydrophobicContact CD1-CE2 3.81Å; L280-F282 HydrophobicContact CD1-CZ 3.51Å; L280-F282 HydrophobicContact CG-CE2 4.4Å; L280-F282 HydrophobicContact CG-CZ 4.35Å; L280-F282 PolarHBondContact O-N 3.14Å; F282-F312 HydrophobicContact CB-CB 4.02Å; F282-F312 HydrophobicContact CB-CD1 4.45Å; F282-F312 HydrophobicContact CB-CG 4.5Å; F282-F312 HydrophobicContact CD1-CB 3.64Å; F282-F312 HydrophobicContact CE1-CB 4.36Å; F282-F312 HydrophobicContact CG-CB 3.99Å; F282-Y313 CarbonylContact C-O 3.59Å; F282-Y313 WeakPolarHBondContact CA-O 3.22Å | ||
| 283 | T | 95.7 | Very high | 82.5 | Confident | 59 Ų | 59 | 60.3 Ų | 60.3 | 36% | 0.362 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129 | 165.9 | -56.1 | 0 | 0 | 0 | 0 | 107.7 | K281 F312 Y313 | K281-T283 PolarHBondContact O-N 3.25Å; T283-F312 WeakPolarHBondContact O-CA 3.48Å; T283-Y313 HydrophobicContact CG2-CE1 3.79Å; T283-Y313 PolarHBondContact N-O 2.94Å; T283-Y313 WeakPolarHBondContact O-CD1 3.33Å; T283-Y313 PolarHBondContact O-N 3.49Å |
| 284 | P | 95.5 | Very high | 81.8 | Confident | 23 Ų | 23 | 58.3 Ų | 58.3 | 15% | 0.149 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 134.9 | 174.9 | 28.9 | -33.8 | 0 | 0 | 0 | 110.2 | Y208 T212 D287 F312 | Y208-P284 HydrophobicContact CE2-CB 4.46Å; Y208-P284 WeakPolarHBondContact OH-CB 3.39Å; Y208-P284 VanDerWaalsContact OH-CG 3.31Å; Y208-P284 WeakPolarHBondContact OH-CG 3.18Å; T212-P284 HydrophobicContact CG2-CG 4.36Å; P284-D287 HydrophobicContact CG-CB 4.07Å; P284-F312 HydrophobicContact CB-CD1 4.04Å; P284-F312 HydrophobicContact CB-CE1 4.08Å |
| 285 | V | 95.5 | Very high | 81.3 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -73.5 | -38.4 | 173.9 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | M311 Y313 R339 A369 F371 | V285-M311 HydrophobicContact CB-CB 4.04Å; V285-M311 HydrophobicContact CB-CG 4.08Å; V285-M311 WeakPolarHBondContact CB-O 3.36Å; V285-M311 HydrophobicContact CB-SD 4.2Å; V285-M311 HydrophobicContact CG1-SD 4.06Å; V285-M311 HydrophobicContact CG2-CB 4.14Å; V285-M311 HydrophobicContact CG2-CG 3.67Å; V285-M311 HydrophobicContact CG2-SD 3.89Å; V285-M311 PolarHBondContact N-O 3.23Å; V285-Y313 HydrophobicContact CG2-CD1 3.7Å; V285-Y313 HydrophobicContact CG2-CE1 4.32Å; V285-R339 HydrophobicContact CG1-CB 4.22Å; V285-R339 WeakPolarHBondContact O-CD 3.44Å; V285-R339 PolarHBondContact O-NE 3.19Å; V285-R339 PolarHBondContact O-NH1 3.3Å; V285-A369 HydrophobicContact CG1-CB 3.56Å; V285-F371 HydrophobicContact CG2-CE1 4.09Å; V285-F371 HydrophobicContact CG2-CZ 3.78Å |
| 286 | Y | 91.2 | Very high | 81 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 2% | 0.02 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -110.4 | 104.9 | 174.8 | -67.3 | -99.9 | 0 | 0 | 0 | 107.5 | W307 R339 L340 L342 L367 L368 | Y286-W307 VanDerWaalsContact CB-CZ2 3.42Å; Y286-W307 HydrophobicContact CG-CZ2 4.39Å; Y286-R339 HydrophobicContact CD1-CG 4.37Å; Y286-R339 HydrophobicContact CE1-CB 4.14Å; Y286-R339 HydrophobicContact CE1-CG 4.06Å; Y286-R339 HydrophobicContact CE2-CB 4.34Å; Y286-L340 VanDerWaalsContact CE1-O 3.24Å; Y286-L340 WeakPolarHBondContact CE1-O 3.41Å; Y286-L340 PolarHBondContact OH-O 3.49Å; Y286-L342 HydrophobicContact CD1-CD1 3.85Å; Y286-L342 HydrophobicContact CD1-CG 4.04Å; Y286-L342 HydrophobicContact CE1-CD1 4.06Å; Y286-L342 HydrophobicContact CE1-CD2 4.35Å; Y286-L342 HydrophobicContact CE1-CG 3.8Å; Y286-L367 HydrophobicContact CD2-CD1 4.4Å; Y286-L367 HydrophobicContact CE1-CD2 4.43Å; Y286-L367 HydrophobicContact CE2-CB 3.84Å; Y286-L367 HydrophobicContact CE2-CD1 4.38Å; Y286-L367 HydrophobicContact CE2-CD2 4.28Å; Y286-L367 HydrophobicContact CE2-CG 4.4Å; Y286-L368 PolarHBondContact OH-N 2.91Å; Y286-L368 PolarHBondContact OH-O 3.41Å |
| 287 | D | 79.2 | Confident | 80.7 | Confident | 59 Ų | 59 | 64.7 Ų | 64.7 | 32% | 0.316 | 33% | 0.332 | S | S | . | . | trans | -107.9 | 133.6 | -175.8 | -172.7 | 5.3 | 0 | 0 | 0 | 110.2 | P284 E289 | P284-D287 HydrophobicContact CG-CB 4.07Å; D287-E289 PolarHBondContact OD1-N 3.37Å | ||
| 288 | C | 65.9 | Low | 80.6 | Confident | 37 Ų | 37 | 64.6 Ų | 64.6 | 25% | 0.25 | 33% | 0.332 | C | S | . | . | trans | -115.8 | 2.2 | -178.2 | -31.6 | 0 | 0 | 0 | 0 | 112.4 | Q290 W307 | C288-Q290 CarbonylContact C-O 3.54Å; C288-Q290 CarbonylContact O-C 2.89Å; C288-Q290 PolarHBondContact O-N 2.93Å; C288-Q290 VanDerWaalsContact O-N 3.1Å; C288-Q290 VanDerWaalsContact O-O 3.12Å; C288-W307 WeakPolarHBondContact SG-CH2 3.32Å; C288-W307 WeakPolarHBondContact SG-CZ3 3.36Å | ||
| 289 | E | 58.4 | Low | 80.5 | Confident | 119 Ų | 119 | 65.3 Ų | 65.3 | 56% | 0.556 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -61.2 | -19.4 | 177.6 | -74.6 | -168.8 | 178.5 | 0 | 0 | 111.1 | K213 D287 | K213-E289 IonicContact NZ-OE1 2.7Å; K213-E289 PolarHBondContact NZ-OE1 3.47Å; D287-E289 PolarHBondContact OD1-N 3.37Å |
| 290 | Q | 53.6 | Low | 80.6 | Confident | 163 Ų | 163 | 60.5 Ų | 60.5 | 76% | 0.762 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -86.9 | 121.8 | 163.1 | -62.6 | -166.4 | -1.4 | 0 | 0 | 109.6 | C288 S292 | C288-Q290 CarbonylContact C-O 3.54Å; C288-Q290 CarbonylContact O-C 2.89Å; C288-Q290 PolarHBondContact O-N 2.93Å; C288-Q290 VanDerWaalsContact O-N 3.1Å; C288-Q290 VanDerWaalsContact O-O 3.12Å; Q290-S292 VanDerWaalsContact C-N 3.34Å; Q290-S292 PolarHBondContact O-N 3.31Å |
| 291 | P | 49.9 | Very low | 80.4 | Confident | 126 Ų | 126 | 61.6 Ų | 61.6 | 82% | 0.818 | 32% | 0.318 | S | S | * | . | trans | -58.7 | 100.6 | 174.9 | 21.6 | -29.2 | 0 | 0 | 0 | 108.9 | ||||
| 292 | S | 56.5 | Low | 80.1 | Confident | 49 Ų | 49 | 54.3 Ų | 54.3 | 34% | 0.343 | 29% | 0.287 | S | S | . | . | trans | -68.8 | 132.4 | 165.4 | 163.1 | 0 | 0 | 0 | 0 | 106.8 | Q290 I294 | Q290-S292 VanDerWaalsContact C-N 3.34Å; Q290-S292 PolarHBondContact O-N 3.31Å; S292-I294 WeakPolarHBondContact CB-O 3.15Å; S292-I294 PolarHBondContact O-N 3.23Å; S292-I294 VanDerWaalsContact O-N 3.16Å; S292-I294 WeakPolarHBondContact OG-CA 3.3Å; S292-I294 WeakPolarHBondContact OG-CB 3.36Å; S292-I294 PolarHBondContact OG-N 2.95Å; S292-I294 PolarHBondContact OG-O 3.44Å | ||
| 293 | E | 60.4 | Low | 79.5 | Confident | 205 Ų | 205 | 60.4 Ų | 60.4 | 96% | 0.958 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -61.7 | -17 | 169 | -68.1 | -175.6 | 169.3 | 0 | 0 | 111.6 | ||
| 294 | I | 66.9 | Low | 79.1 | Confident | 55 Ų | 55 | 62.1 Ų | 62.1 | 28% | 0.282 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -102.9 | 120.3 | -175.7 | -50.1 | 178.2 | 0 | 0 | 0 | 109 | S292 W296 | S292-I294 WeakPolarHBondContact CB-O 3.15Å; S292-I294 PolarHBondContact O-N 3.23Å; S292-I294 VanDerWaalsContact O-N 3.16Å; S292-I294 WeakPolarHBondContact OG-CA 3.3Å; S292-I294 WeakPolarHBondContact OG-CB 3.36Å; S292-I294 PolarHBondContact OG-N 2.95Å; S292-I294 PolarHBondContact OG-O 3.44Å; I294-W296 PolarHBondContact O-N 3.14Å |
| 295 | D | 80.2 | Confident | 78.9 | Confident | 132 Ų | 132 | 63.4 Ų | 63.4 | 71% | 0.706 | 33% | 0.332 | S | S | * | . | trans | -76.7 | 87.2 | 171.1 | -168.5 | 24.1 | 0 | 0 | 0 | 109.2 | S344 | D295-S344 WeakPolarHBondContact O-CA 3.43Š| ||
| 296 | W | 86.7 | Confident | 78.6 | Confident | 35 Ų | 35 | 64.3 Ų | 64.3 | 13% | 0.133 | 34% | 0.342 | C | S | . | . | B | Isolated β-bridge | trans | -64.5 | 138.5 | -179.1 | -68.7 | -26.5 | 0 | 0 | 0 | 111.3 | I294 W307 L342 | I294-W296 PolarHBondContact O-N 3.14Å; W296-W307 HydrophobicContact CB-CE3 4.09Å; W296-W307 HydrophobicContact CB-CZ3 3.98Å; W296-W307 HydrophobicContact CD2-CZ3 4.46Å; W296-W307 AromaticContact CE3-CH2 3.88Å; W296-W307 HydrophobicContact CE3-CH2 3.88Å; W296-W307 AromaticContact CE3-CZ3 3.64Å; W296-W307 HydrophobicContact CE3-CZ3 3.64Å; W296-W307 HydrophobicContact CZ3-CH2 4.45Å; W296-L342 HydrophobicContact CB-CB 3.83Å; W296-L342 HydrophobicContact CB-CD1 4.2Å; W296-L342 HydrophobicContact CD2-CB 4.1Å; W296-L342 HydrophobicContact CG-CB 3.66Å; W296-L342 PolarHBondContact NE1-O 3.33Å; W296-L342 VanDerWaalsContact NE1-O 3.09Å |
| 297 | V | 91.4 | Very high | 78.6 | Confident | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | trans | -120.3 | 145.8 | 175.9 | -57.3 | 0 | 0 | 0 | 0 | 110.3 | V300 G306 L343 C345 I348 | V297-V300 HydrophobicContact CG2-CG2 3.89Å; V297-G306 CarbonylContact C-O 3.54Å; V297-G306 WeakPolarHBondContact CA-O 3.4Å; V297-L343 PolarHBondContact N-O 3.16Å; V297-C345 HydrophobicContact CG1-CB 4.16Å; V297-I348 HydrophobicContact CG2-CD1 3.41Å; V297-I348 VanDerWaalsContact CG2-CD1 3.41Å | ||
| 298 | S | 93 | Very high | 79.4 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -104.2 | -10 | 171.3 | 80.8 | 0 | 0 | 0 | 0 | 112.4 | G306 V308 D309 H364 I365 | S298-G306 PolarHBondContact N-O 3.38Å; S298-V308 PolarHBondContact OG-N 3.07Å; S298-D309 WeakPolarHBondContact CB-OD2 3.29Å; S298-D309 PolarHBondContact OG-N 3.07Å; S298-D309 VanDerWaalsContact OG-N 3.1Å; S298-D309 PolarHBondContact OG-OD2 2.7Å; S298-H364 CarbonylContact O-C 3.5Å; S298-H364 VanDerWaalsContact O-CA 3.29Å; S298-H364 WeakPolarHBondContact O-CA 3.31Å; S298-I365 PolarHBondContact O-N 2.95Å |
| 299 | F | 94.1 | Very high | 80.9 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 155 | 172.9 | 79.7 | -82.3 | 0 | 0 | 0 | 112.8 | I301 T305 G306 V308 D363 | F299-I301 HydrophobicContact CD2-CB 4.49Å; F299-I301 HydrophobicContact CD2-CD1 3.84Å; F299-I301 HydrophobicContact CD2-CG1 3.92Å; F299-I301 HydrophobicContact CE2-CD1 4.15Å; F299-I301 HydrophobicContact CE2-CG1 4.42Å; F299-T305 WeakPolarHBondContact O-CA 3.14Å; F299-G306 WeakPolarHBondContact CD1-O 3.21Å; F299-G306 VanDerWaalsContact CE1-C 3.49Å; F299-G306 VanDerWaalsContact CE1-CA 3.46Å; F299-G306 PolarHBondContact N-O 3.27Å; F299-V308 HydrophobicContact CD1-CG1 4.29Å; F299-V308 HydrophobicContact CD1-CG2 3.71Å; F299-V308 HydrophobicContact CE1-CG1 3.89Å; F299-V308 HydrophobicContact CE1-CG2 4.15Å; F299-D363 CarbonylContact C-O 3.58Å; F299-D363 VanDerWaalsContact CA-O 3.27Å; F299-D363 WeakPolarHBondContact CA-O 3.44Å |
| 300 | V | 93.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 107.3 | 175.2 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | V297 T305 I348 L349 L355 D363 | V297-V300 HydrophobicContact CG2-CG2 3.89Å; V300-T305 HydrophobicContact CB-CG2 4.17Å; V300-T305 HydrophobicContact CG1-CG2 3.91Å; V300-T305 HydrophobicContact CG2-CG2 3.95Å; V300-I348 HydrophobicContact CG2-CD1 3.86Å; V300-I348 HydrophobicContact CG2-CG2 4.2Å; V300-L349 HydrophobicContact CG1-CD2 4Å; V300-L355 HydrophobicContact CB-CD1 4.06Å; V300-L355 HydrophobicContact CB-CG 4.27Å; V300-L355 HydrophobicContact CG2-CD1 4.44Å; V300-D363 PolarHBondContact N-O 3.01Å |
| 301 | I | 90.8 | Very high | 84.8 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 15% | 0.149 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 96.8 | 176.7 | -63 | 167.1 | 0 | 0 | 0 | 108.8 | L28 Y29 F299 I303 N304 D363 | L28-I301 HydrophobicContact CB-CG2 3.7Å; L28-I301 HydrophobicContact CD1-CG2 4.38Å; L28-I301 HydrophobicContact CG-CG2 4.46Å; Y29-I301 HydrophobicContact CE1-CG2 4.38Å; F299-I301 HydrophobicContact CD2-CB 4.49Å; F299-I301 HydrophobicContact CD2-CD1 3.84Å; F299-I301 HydrophobicContact CD2-CG1 3.92Å; F299-I301 HydrophobicContact CE2-CD1 4.15Å; F299-I301 HydrophobicContact CE2-CG1 4.42Å; I301-I303 PolarHBondContact O-N 3.45Å; I301-I303 VanDerWaalsContact O-N 3.07Å; I301-N304 PolarHBondContact N-O 3.18Å; I301-N304 WeakPolarHBondContact O-CB 2.93Å; I301-N304 PolarHBondContact O-N 3.29Å; I301-D363 WeakPolarHBondContact CD1-OD2 3.44Å; I301-D363 HydrophobicContact CG1-CB 3.86Å; I301-D363 WeakPolarHBondContact CG1-OD2 3.42Å |
| 302 | G | 87.1 | Confident | 87.1 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | -111.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y354 | G302-Y354 WeakPolarHBondContact O-CD1 3.45Å; G302-Y354 WeakPolarHBondContact O-CE1 3.43Å |
| 303 | I | 83.4 | Confident | 89.1 | Confident | 136 Ų | 136 | 41 Ų | 41 | 70% | 0.697 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -12 | 174.6 | 64.4 | 170.2 | 0 | 0 | 0 | 113.4 | L31 I301 | L31-I303 HydrophobicContact CD1-CG2 4.35Å; I301-I303 PolarHBondContact O-N 3.45Å; I301-I303 VanDerWaalsContact O-N 3.07Å |
| 304 | N | 87.9 | Confident | 90.8 | Very high | 95 Ų | 95 | 31.6 Ų | 31.6 | 51% | 0.508 | 17% | 0.167 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 125.8 | -179.4 | -65.5 | -25.4 | 0 | 0 | 0 | 108.5 | I301 | I301-N304 PolarHBondContact N-O 3.18Å; I301-N304 WeakPolarHBondContact O-CB 2.93Å; I301-N304 PolarHBondContact O-N 3.29Å |
| 305 | T | 90.4 | Very high | 91.9 | Very high | 49 Ų | 49 | 29.4 Ų | 29.4 | 30% | 0.301 | 16% | 0.156 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 164.7 | 179.7 | 68.1 | 0 | 0 | 0 | 0 | 109.7 | F299 V300 C345 | F299-T305 WeakPolarHBondContact O-CA 3.14Å; V300-T305 HydrophobicContact CB-CG2 4.17Å; V300-T305 HydrophobicContact CG1-CG2 3.91Å; V300-T305 HydrophobicContact CG2-CG2 3.95Å; T305-C345 HydrophobicContact CG2-CB 3.82Å; T305-C345 WeakPolarHBondContact CG2-SG 3.24Å |
| 306 | G | 90 | Very high | 92.1 | Very high | 21 Ų | 21 | 24.1 Ų | 24.1 | 22% | 0.216 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.5 | -169.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | V297 S298 F299 | V297-G306 CarbonylContact C-O 3.54Å; V297-G306 WeakPolarHBondContact CA-O 3.4Å; S298-G306 PolarHBondContact N-O 3.38Å; F299-G306 WeakPolarHBondContact CD1-O 3.21Å; F299-G306 VanDerWaalsContact CE1-C 3.49Å; F299-G306 VanDerWaalsContact CE1-CA 3.46Å; F299-G306 PolarHBondContact N-O 3.27Å |
| 307 | W | 91.3 | Very high | 91.5 | Very high | 23 Ų | 23 | 25.6 Ų | 25.6 | 9% | 0.087 | 14% | 0.142 | C | C | . | . | trans | -120.6 | 112.5 | 179.3 | -176.3 | -23 | 0 | 0 | 0 | 109 | T202 A203 Y286 C288 W296 D309 H310 | T202-W307 WeakPolarHBondContact CA-O 3.47Å; A203-W307 HydrophobicContact CB-CD2 4.43Å; Y286-W307 VanDerWaalsContact CB-CZ2 3.42Å; Y286-W307 HydrophobicContact CG-CZ2 4.39Å; C288-W307 WeakPolarHBondContact SG-CH2 3.32Å; C288-W307 WeakPolarHBondContact SG-CZ3 3.36Å; W296-W307 HydrophobicContact CB-CE3 4.09Å; W296-W307 HydrophobicContact CB-CZ3 3.98Å; W296-W307 HydrophobicContact CD2-CZ3 4.46Å; W296-W307 AromaticContact CE3-CH2 3.88Å; W296-W307 HydrophobicContact CE3-CH2 3.88Å; W296-W307 AromaticContact CE3-CZ3 3.64Å; W296-W307 HydrophobicContact CE3-CZ3 3.64Å; W296-W307 HydrophobicContact CZ3-CH2 4.45Å; W307-D309 PolarHBondContact NE1-O 3.43Å; W307-H310 AromaticContact CD1-CE1 3.58Å; W307-H310 AromaticContact CD1-NE2 3.75Å; W307-H310 AromaticContact NE1-CE1 3.32Å; W307-H310 PolarHBondContact NE1-CE1 3.42Å; W307-H310 VanDerWaalsContact NE1-CE1 3.32Å; W307-H310 AromaticContact NE1-ND1 3.51Å; W307-H310 AromaticContact NE1-NE2 3.87Å | ||
| 308 | V | 95.5 | Very high | 90.3 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.024 | 16% | 0.156 | C | C | . | . | trans | -127.5 | -17.4 | 179.4 | -64.5 | 0 | 0 | 0 | 0 | 113.9 | F199 N200 A201 Q229 S298 F299 H310 | F199-V308 PolarHBondContact N-O 3.11Å; N200-V308 PolarHBondContact N-O 3.45Å; A201-V308 WeakPolarHBondContact O-CA 3.38Å; Q229-V308 VanDerWaalsContact NE2-CG1 3.32Å; S298-V308 PolarHBondContact OG-N 3.07Å; F299-V308 HydrophobicContact CD1-CG1 4.29Å; F299-V308 HydrophobicContact CD1-CG2 3.71Å; F299-V308 HydrophobicContact CE1-CG1 3.89Å; F299-V308 HydrophobicContact CE1-CG2 4.15Å; V308-H310 PolarHBondContact O-CD2 2.98Å; V308-H310 VanDerWaalsContact O-CD2 3.29Å | ||
| 309 | D | 97.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 131.6 | 178.5 | -55.9 | -81 | 0 | 0 | 0 | 110.2 | G197 D198 S298 W307 H364 L367 | G197-D309 WeakPolarHBondContact O-CA 3.19Å; D198-D309 WeakPolarHBondContact CB-OD1 3.38Å; S298-D309 WeakPolarHBondContact CB-OD2 3.29Å; S298-D309 PolarHBondContact OG-N 3.07Å; S298-D309 VanDerWaalsContact OG-N 3.1Å; S298-D309 PolarHBondContact OG-OD2 2.7Å; W307-D309 PolarHBondContact NE1-O 3.43Å; D309-H364 IonicContact OD1-ND1 3.92Å; D309-H364 PolarHBondContact OD1-ND1 2.81Å; D309-H364 IonicContact OD2-CE1 3.65Å; D309-H364 IonicContact OD2-CG 3.79Å; D309-H364 IonicContact OD2-ND1 3.79Å; D309-H364 PolarHBondContact OD2-ND1 2.72Å; D309-L367 HydrophobicContact CB-CD1 3.8Å; D309-L367 HydrophobicContact CB-CG 4.22Å; D309-L367 WeakPolarHBondContact O-CD1 3.18Å |
| 310 | H | 97.1 | Very high | 86.9 | Confident | 6 Ų | 6 | 34.3 Ų | 34.3 | 3% | 0.028 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 152.9 | -178.8 | -65.2 | -87.9 | 0 | 0 | 0 | 111.8 | C196 G197 F199 A201 Y208 W307 V308 F312 | C196-H310 WeakPolarHBondContact CA-O 3.48Å; G197-H310 PolarHBondContact N-O 3.07Å; G197-H310 VanDerWaalsContact N-O 3.1Å; G197-H310 PolarHBondContact O-N 2.91Å; F199-H310 HydrophobicContact CD2-CB 3.81Å; F199-H310 HydrophobicContact CE2-CB 4.09Å; F199-H310 HydrophobicContact CG-CB 4.46Å; A201-H310 PolarHBondContact O-NE2 2.88Å; Y208-H310 AromaticContact CD2-CE1 3.8Å; Y208-H310 AromaticContact CD2-ND1 3.69Å; Y208-H310 AromaticContact CE2-ND1 3.71Å; W307-H310 AromaticContact CD1-CE1 3.58Å; W307-H310 AromaticContact CD1-NE2 3.75Å; W307-H310 AromaticContact NE1-CE1 3.32Å; W307-H310 PolarHBondContact NE1-CE1 3.42Å; W307-H310 VanDerWaalsContact NE1-CE1 3.32Å; W307-H310 AromaticContact NE1-ND1 3.51Å; W307-H310 AromaticContact NE1-NE2 3.87Å; V308-H310 PolarHBondContact O-CD2 2.98Å; V308-H310 VanDerWaalsContact O-CD2 3.29Å; H310-F312 HydrophobicContact CB-CD2 4.23Å; H310-F312 HydrophobicContact CB-CE2 3.39Å; H310-F312 HydrophobicContact CB-CZ 3.72Å |
| 311 | M | 98 | Very high | 85 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 126 | 171.8 | -173.4 | -174.8 | -59.8 | 0 | 0 | 109.1 | L11 I194 C196 V285 L367 A369 F371 | L11-M311 HydrophobicContact CD2-CE 3.41Å; L11-M311 VanDerWaalsContact CD2-CE 3.41Å; L11-M311 HydrophobicContact CD2-SD 3.94Å; I194-M311 HydrophobicContact CG2-CG 4.16Å; C196-M311 HydrophobicContact CB-CB 4.11Å; C196-M311 HydrophobicContact CB-CG 3.95Å; V285-M311 HydrophobicContact CB-CB 4.04Å; V285-M311 HydrophobicContact CB-CG 4.08Å; V285-M311 WeakPolarHBondContact CB-O 3.36Å; V285-M311 HydrophobicContact CB-SD 4.2Å; V285-M311 HydrophobicContact CG1-SD 4.06Å; V285-M311 HydrophobicContact CG2-CB 4.14Å; V285-M311 HydrophobicContact CG2-CG 3.67Å; V285-M311 HydrophobicContact CG2-SD 3.89Å; V285-M311 PolarHBondContact N-O 3.23Å; M311-L367 HydrophobicContact CE-CB 4.1Å; M311-L367 WeakPolarHBondContact CE-O 3.28Å; M311-A369 HydrophobicContact SD-CB 3.89Å; M311-F371 HydrophobicContact SD-CE2 4.01Å; M311-F371 HydrophobicContact SD-CZ 3.85Å |
| 312 | F | 97.9 | Very high | 83.5 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.009 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 150.1 | 179 | -54.6 | -85.3 | 0 | 0 | 0 | 109.5 | I194 L195 F199 Y208 L211 T212 F282 T283 P284 H310 | I194-F312 CarbonylContact C-O 3.45Å; I194-F312 WeakPolarHBondContact CA-O 3.27Å; L195-F312 PolarHBondContact N-O 2.97Å; L195-F312 PolarHBondContact O-N 2.85Å; F199-F312 HydrophobicContact CE1-CE2 4.41Å; F199-F312 HydrophobicContact CE2-CE2 4.35Å; F199-F312 HydrophobicContact CZ-CD2 4.37Å; F199-F312 HydrophobicContact CZ-CE2 4.16Å; Y208-F312 AromaticContact CD2-CE1 3.96Å; Y208-F312 HydrophobicContact CD2-CE1 3.96Å; Y208-F312 AromaticContact CD2-CZ 3.72Å; Y208-F312 HydrophobicContact CD2-CZ 3.72Å; Y208-F312 AromaticContact CE2-CE1 3.65Å; Y208-F312 HydrophobicContact CE2-CE1 3.65Å; Y208-F312 AromaticContact CE2-CZ 3.79Å; Y208-F312 HydrophobicContact CE2-CZ 3.79Å; L211-F312 HydrophobicContact CB-CZ 4.44Å; L211-F312 HydrophobicContact CD1-CD2 4.22Å; L211-F312 HydrophobicContact CD1-CE2 3.6Å; L211-F312 HydrophobicContact CD1-CZ 3.91Å; T212-F312 HydrophobicContact CG2-CD1 4.11Å; T212-F312 HydrophobicContact CG2-CE1 3.74Å; F282-F312 HydrophobicContact CB-CB 4.02Å; F282-F312 HydrophobicContact CB-CD1 4.45Å; F282-F312 HydrophobicContact CB-CG 4.5Å; F282-F312 HydrophobicContact CD1-CB 3.64Å; F282-F312 HydrophobicContact CE1-CB 4.36Å; F282-F312 HydrophobicContact CG-CB 3.99Å; T283-F312 WeakPolarHBondContact O-CA 3.48Å; P284-F312 HydrophobicContact CB-CD1 4.04Å; P284-F312 HydrophobicContact CB-CE1 4.08Å; H310-F312 HydrophobicContact CB-CD2 4.23Å; H310-F312 HydrophobicContact CB-CE2 3.39Å; H310-F312 HydrophobicContact CB-CZ 3.72Å |
| 313 | Y | 97.8 | Very high | 82.2 | Confident | 30 Ų | 30 | 48.9 Ų | 48.9 | 12% | 0.118 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 146 | 170.6 | 73.3 | -76 | 0 | 0 | 0 | 111.5 | V193 F282 T283 V285 L334 C336 F371 | V193-Y313 CarbonylContact O-C 3.47Å; V193-Y313 WeakPolarHBondContact O-CA 3.46Å; F282-Y313 CarbonylContact C-O 3.59Å; F282-Y313 WeakPolarHBondContact CA-O 3.22Å; T283-Y313 HydrophobicContact CG2-CE1 3.79Å; T283-Y313 PolarHBondContact N-O 2.94Å; T283-Y313 WeakPolarHBondContact O-CD1 3.33Å; T283-Y313 PolarHBondContact O-N 3.49Å; V285-Y313 HydrophobicContact CG2-CD1 3.7Å; V285-Y313 HydrophobicContact CG2-CE1 4.32Å; Y313-L334 HydrophobicContact CD2-CD2 4.16Å; Y313-L334 HydrophobicContact CD2-CG 4.28Å; Y313-C336 HydrophobicContact CD1-CB 4.19Å; Y313-C336 HydrophobicContact CE1-CB 3.62Å; Y313-F371 HydrophobicContact CD1-CE1 4.03Å; Y313-F371 AromaticContact CG-CE1 3.9Å; Y313-F371 HydrophobicContact CG-CE1 3.9Å |
| 314 | S | 96.2 | Very high | 81.1 | Confident | 8 Ų | 8 | 49 Ų | 49 | 6% | 0.056 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 115 | 173.3 | 167.4 | 0 | 0 | 0 | 0 | 108 | P192 V193 K281 S316 | P192-S314 WeakPolarHBondContact CA-O 3.1Å; V193-S314 PolarHBondContact N-O 2.9Å; V193-S314 PolarHBondContact O-N 3.34Å; K281-S314 PolarHBondContact N-OG 3.39Å; K281-S314 WeakPolarHBondContact O-CA 3.32Å; S314-S316 VanDerWaalsContact C-N 3.32Å; S314-S316 PolarHBondContact O-N 3.45Å |
| 315 | P | 91.2 | Very high | 80.1 | Confident | 8 Ų | 8 | 53.7 Ų | 53.7 | 5% | 0.052 | 29% | 0.285 | C | S | . | . | trans | -71.3 | -18.2 | -161.1 | 24.4 | -35.2 | 0 | 0 | 0 | 115.8 | E332 K333 L334 | P315-E332 HydrophobicContact CB-CB 3.86Å; P315-E332 HydrophobicContact CB-CG 3.88Å; P315-E332 HydrophobicContact CG-CG 4.09Å; P315-K333 WeakPolarHBondContact O-CB 3.29Å; P315-K333 PolarHBondContact O-N 2.92Å; P315-L334 WeakPolarHBondContact CB-O 3.31Å; P315-L334 PolarHBondContact O-N 3.18Å | ||
| 316 | S | 84 | Confident | 78.5 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | trans | 57.2 | 126.6 | -159.8 | -171.2 | 0 | 0 | 0 | 0 | 112.6 | F190 S314 E332 K333 | F190-S316 WeakPolarHBondContact O-CB 3.26Å; F190-S316 PolarHBondContact O-OG 3.43Å; S314-S316 VanDerWaalsContact C-N 3.32Å; S314-S316 PolarHBondContact O-N 3.45Å; S316-E332 WeakPolarHBondContact O-CA 3.4Å; S316-K333 PolarHBondContact O-N 3.13Å; S316-K333 VanDerWaalsContact O-N 3.15Å | ||
| 317 | V | 73.5 | Confident | 76.9 | Confident | 67 Ų | 67 | 56.8 Ų | 56.8 | 41% | 0.406 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 122.8 | -178.2 | 169.4 | 0 | 0 | 0 | 0 | 109.2 | I330 | V317-I330 HydrophobicContact CB-CG2 4.41Å; V317-I330 HydrophobicContact CG1-CB 4.23Å; V317-I330 HydrophobicContact CG1-CG1 4.06Å; V317-I330 HydrophobicContact CG1-CG2 3.42Å; V317-I330 VanDerWaalsContact CG1-CG2 3.42Å; V317-I330 HydrophobicContact CG2-CG2 4.25Å |
| 318 | K | 65.2 | Low | 75.5 | Confident | 69 Ų | 69 | 61.8 Ų | 61.8 | 30% | 0.3 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 137.4 | 166 | -83.4 | -168.6 | 170.3 | -178 | 0 | 110.3 | D146 I330 V331 K333 | D146-K318 PolarHBondContact O-NZ 2.76Å; K318-I330 WeakPolarHBondContact O-CA 3.41Å; K318-V331 PolarHBondContact N-O 2.98Å; K318-V331 PolarHBondContact O-N 3.46Å; K318-K333 VanDerWaalsContact CD-CE 3.5Å |
| 319 | T | 58.5 | Low | 74 | Confident | 94 Ų | 94 | 63.7 Ų | 63.7 | 58% | 0.577 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 109.6 | 172 | -54.7 | 0 | 0 | 0 | 0 | 108.3 | H328 | T319-H328 HydrophobicContact CG2-CB 3.37Å |
| 320 | V | 58.2 | Low | 72.6 | Confident | 51 Ų | 51 | 69.4 Ų | 69.4 | 31% | 0.309 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129.9 | -179.8 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | F322 H328 S329 V331 | V320-F322 HydrophobicContact CG1-CE1 4.34Å; V320-F322 HydrophobicContact CG1-CZ 4.33Å; V320-H328 WeakPolarHBondContact O-CA 3.29Å; V320-S329 PolarHBondContact N-O 3.07Å; V320-S329 PolarHBondContact O-N 3.47Å; V320-V331 HydrophobicContact CB-CG2 4.36Å; V320-V331 HydrophobicContact CG2-CB 4.34Å; V320-V331 HydrophobicContact CG2-CG2 3.81Å |
| 321 | S | 53.3 | Low | 71.4 | Confident | 51 Ų | 51 | 70.9 Ų | 70.9 | 36% | 0.357 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 117.6 | 169.8 | -165.1 | 0 | 0 | 0 | 0 | 109.9 | Y323 | S321-Y323 PolarHBondContact OG-O 3.22Å |
| 322 | F | 60.6 | Low | 70.8 | Confident | 119 Ų | 119 | 73.9 Ų | 73.9 | 52% | 0.522 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -81.3 | -21.7 | 176.4 | -69.1 | -73.3 | 0 | 0 | 0 | 112.7 | V320 S329 | V320-F322 HydrophobicContact CG1-CE1 4.34Å; V320-F322 HydrophobicContact CG1-CZ 4.33Å; F322-S329 WeakPolarHBondContact CE2-OG 3.44Å |
| 323 | Y | 59.2 | Low | 70.3 | Confident | 169 Ų | 169 | 74.4 Ų | 74.4 | 66% | 0.663 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -138 | 142.9 | 178.8 | -57.5 | -79.3 | 0 | 0 | 0 | 109.5 | S321 Q325 G326 | S321-Y323 PolarHBondContact OG-O 3.22Å; Y323-Q325 PolarHBondContact O-N 3.21Å; Y323-G326 PolarHBondContact O-N 2.78Å |
| 324 | P | 60.4 | Low | 70.1 | Confident | 138 Ų | 138 | 73 Ų | 73 | 90% | 0.896 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | -26.5 | -176.9 | -25.7 | 32.2 | 0 | 0 | 0 | 115.1 | ||
| 325 | Q | 65.5 | Low | 70 | Confident | 194 Ų | 194 | 77.4 Ų | 77.4 | 91% | 0.907 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | 11.9 | -178.4 | -64.1 | -90.9 | 1.1 | 0 | 0 | 112.2 | Y323 | Y323-Q325 PolarHBondContact O-N 3.21Š|
| 326 | G | 57.3 | Low | 70.2 | Confident | 18 Ų | 18 | 78.6 Ų | 78.6 | 19% | 0.186 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -89.5 | 163.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y323 H328 | Y323-G326 PolarHBondContact O-N 2.78Å; G326-H328 PolarHBondContact O-N 3.21Å |
| 327 | P | 57.4 | Low | 70.8 | Confident | 117 Ų | 117 | 82.5 Ų | 82.5 | 76% | 0.76 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 134.6 | 174.4 | 25.6 | -32.6 | 0 | 0 | 0 | 110.2 | S329 | P327-S329 PolarHBondContact O-N 3.21Š|
| 328 | H | 62 | Low | 71.8 | Confident | 127 Ų | 127 | 87 Ų | 87 | 59% | 0.588 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 132.8 | 173.3 | -66 | -70.9 | 0 | 0 | 0 | 110.5 | T319 V320 G326 | T319-H328 HydrophobicContact CG2-CB 3.37Å; V320-H328 WeakPolarHBondContact O-CA 3.29Å; G326-H328 PolarHBondContact O-N 3.21Å |
| 329 | S | 62.4 | Low | 73.2 | Confident | 45 Ų | 45 | 88.4 Ų | 88.4 | 32% | 0.315 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 135 | 173.1 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | V320 F322 P327 | V320-S329 PolarHBondContact N-O 3.07Å; V320-S329 PolarHBondContact O-N 3.47Å; F322-S329 WeakPolarHBondContact CE2-OG 3.44Å; P327-S329 PolarHBondContact O-N 3.21Å |
| 330 | I | 68.2 | Low | 74.9 | Confident | 121 Ų | 121 | 87.9 Ų | 87.9 | 62% | 0.621 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 119.7 | 173.7 | -75.3 | 164.9 | 0 | 0 | 0 | 108.1 | V317 K318 | V317-I330 HydrophobicContact CB-CG2 4.41Å; V317-I330 HydrophobicContact CG1-CB 4.23Å; V317-I330 HydrophobicContact CG1-CG1 4.06Å; V317-I330 HydrophobicContact CG1-CG2 3.42Å; V317-I330 VanDerWaalsContact CG1-CG2 3.42Å; V317-I330 HydrophobicContact CG2-CG2 4.25Å; K318-I330 WeakPolarHBondContact O-CA 3.41Å |
| 331 | V | 73.4 | Confident | 76.4 | Confident | 36 Ų | 36 | 91.7 Ų | 91.7 | 22% | 0.218 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.1 | 175 | -175.6 | 0 | 0 | 0 | 0 | 108.8 | K318 V320 V374 | K318-V331 PolarHBondContact N-O 2.98Å; K318-V331 PolarHBondContact O-N 3.46Å; V320-V331 HydrophobicContact CB-CG2 4.36Å; V320-V331 HydrophobicContact CG2-CB 4.34Å; V320-V331 HydrophobicContact CG2-CG2 3.81Å; V331-V374 HydrophobicContact CG1-CG1 4.14Å |
| 332 | E | 84.9 | Confident | 78.1 | Confident | 66 Ų | 66 | 89.4 Ų | 89.4 | 31% | 0.308 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 128.3 | 170.8 | -71.9 | 175.6 | 156.8 | 0 | 0 | 109.4 | P315 S316 L334 R335 | P315-E332 HydrophobicContact CB-CB 3.86Å; P315-E332 HydrophobicContact CB-CG 3.88Å; P315-E332 HydrophobicContact CG-CG 4.09Å; S316-E332 WeakPolarHBondContact O-CA 3.4Å; E332-L334 VanDerWaalsContact C-N 3.33Å; E332-R335 HydrophobicContact CB-CG 4.32Å; E332-R335 IonicContact OE2-NE 3.2Å; E332-R335 PolarHBondContact OE2-NE 3.27Å; E332-R335 IonicContact OE2-NH2 3.98Å |
| 333 | K | 87.8 | Confident | 79.4 | Confident | 13 Ų | 13 | 86.1 Ų | 86.1 | 6% | 0.057 | 42% | 0.423 | C | S | . | . | S | Bend | trans | -80.1 | -14.4 | 179.5 | -79.1 | -166.3 | 165.3 | -163.4 | 0 | 114 | P192 P315 S316 K318 F373 V374 | P192-K333 HydrophobicContact CG-CB 3.56Å; P192-K333 HydrophobicContact CG-CD 4.23Å; P315-K333 WeakPolarHBondContact O-CB 3.29Å; P315-K333 PolarHBondContact O-N 2.92Å; S316-K333 PolarHBondContact O-N 3.13Å; S316-K333 VanDerWaalsContact O-N 3.15Å; K318-K333 VanDerWaalsContact CD-CE 3.5Å; K333-F373 CarbonylContact O-C 3.47Å; K333-F373 WeakPolarHBondContact O-CA 3.37Å; K333-V374 PolarHBondContact O-N 2.7Å |
| 334 | L | 93.3 | Very high | 80.8 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 133.6 | -178.9 | 178.4 | 74.3 | 0 | 0 | 0 | 109.8 | F9 I151 P192 I194 Y313 P315 E332 F371 E372 | F9-L334 HydrophobicContact CE1-CD1 3.89Å; F9-L334 HydrophobicContact CZ-CD1 3.89Å; I151-L334 HydrophobicContact CD1-CD1 3.94Å; I151-L334 HydrophobicContact CD1-CD2 3.96Å; P192-L334 HydrophobicContact CB-CB 3.7Å; P192-L334 HydrophobicContact CB-CD2 3.93Å; P192-L334 HydrophobicContact CB-CG 4.4Å; P192-L334 HydrophobicContact CG-CB 4.25Å; I194-L334 HydrophobicContact CD1-CD2 4.17Å; I194-L334 HydrophobicContact CG1-CD2 3.77Å; Y313-L334 HydrophobicContact CD2-CD2 4.16Å; Y313-L334 HydrophobicContact CD2-CG 4.28Å; P315-L334 WeakPolarHBondContact CB-O 3.31Å; P315-L334 PolarHBondContact O-N 3.18Å; E332-L334 VanDerWaalsContact C-N 3.33Å; L334-F371 HydrophobicContact CD1-CB 3.8Å; L334-F371 HydrophobicContact CD1-CD1 4.05Å; L334-F371 HydrophobicContact CD1-CG 4.22Å; L334-F371 HydrophobicContact CD2-CD1 4.49Å; L334-F371 HydrophobicContact CG-CD1 4.2Å; L334-E372 WeakPolarHBondContact CA-O 3.45Å |
| 335 | R | 94.1 | Very high | 82.2 | Confident | 101 Ų | 101 | 73.6 Ų | 73.6 | 38% | 0.381 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 137.4 | 177.6 | -65.7 | 178.7 | 174.1 | 159.1 | 1 | 110.2 | E332 F371 E372 | E332-R335 HydrophobicContact CB-CG 4.32Å; E332-R335 IonicContact OE2-NE 3.2Å; E332-R335 PolarHBondContact OE2-NE 3.27Å; E332-R335 IonicContact OE2-NH2 3.98Å; R335-F371 CarbonylContact O-C 3.54Å; R335-F371 WeakPolarHBondContact O-CA 3.35Å; R335-E372 PolarHBondContact N-O 3.25Å; R335-E372 PolarHBondContact O-N 3.3Å |
| 336 | C | 95.6 | Very high | 83.3 | Confident | 33 Ų | 33 | 67.7 Ų | 67.7 | 22% | 0.223 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 127.1 | 167.1 | -179.9 | 0 | 0 | 0 | 0 | 109.1 | Y313 F371 | Y313-C336 HydrophobicContact CD1-CB 4.19Å; Y313-C336 HydrophobicContact CE1-CB 3.62Å; C336-F371 HydrophobicContact CB-CD1 4.05Å; C336-F371 HydrophobicContact CB-CE1 3.87Å |
| 337 | K | 95.1 | Very high | 84.9 | Confident | 104 Ų | 104 | 69.2 Ų | 69.2 | 45% | 0.452 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -43.8 | -175.9 | -65 | -59.2 | -64.6 | -135.3 | 0 | 113 | E370 E372 | K337-E370 PolarHBondContact N-O 3.32Å; K337-E372 HydrophobicContact CD-CB 4.19Å; K337-E372 HydrophobicContact CD-CG 3.95Å; K337-E372 VanDerWaalsContact CD-OE2 3.31Å; K337-E372 WeakPolarHBondContact CD-OE2 3.2Å; K337-E372 WeakPolarHBondContact CE-OE1 3.42Å; K337-E372 HydrophobicContact CG-CB 3.99Å; K337-E372 HydrophobicContact CG-CG 3.63Å; K337-E372 IonicContact NZ-OE1 2.89Å; K337-E372 PolarHBondContact NZ-OE1 3.42Å; K337-E372 IonicContact NZ-OE2 2.84Å; K337-E372 PolarHBondContact NZ-OE2 2.82Å |
| 338 | R | 95.3 | Very high | 86.5 | Confident | 162 Ų | 162 | 64 Ų | 64 | 61% | 0.611 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 157.9 | 178.2 | 53.1 | -179.9 | 172.1 | 155.1 | 4.7 | 109 | A369 E370 | R338-A369 WeakPolarHBondContact O-CA 3.31Å; R338-E370 HydrophobicContact CG-CB 3.73Å; R338-E370 IonicContact CZ-OE1 3.92Å; R338-E370 IonicContact CZ-OE2 3.02Å; R338-E370 VanDerWaalsContact NE-CD 3.26Å; R338-E370 IonicContact NE-OE1 3.95Å; R338-E370 PolarHBondContact NE-OE1 3.2Å; R338-E370 IonicContact NE-OE2 2.83Å; R338-E370 PolarHBondContact NE-OE2 2.96Å; R338-E370 IonicContact NH2-OE1 3.5Å; R338-E370 PolarHBondContact NH2-OE1 2.84Å; R338-E370 IonicContact NH2-OE2 3.66Å; R338-E370 PolarHBondContact NH2-OE2 3.45Å; R338-E370 PolarHBondContact O-N 3.11Å |
| 339 | R | 94.8 | Very high | 87.8 | Confident | 98 Ų | 98 | 60.1 Ų | 60.1 | 37% | 0.37 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 151.1 | 176.2 | 66.2 | -162.6 | -174.7 | -148.9 | 1.7 | 108.5 | V285 Y286 L368 A369 | V285-R339 HydrophobicContact CG1-CB 4.22Å; V285-R339 WeakPolarHBondContact O-CD 3.44Å; V285-R339 PolarHBondContact O-NE 3.19Å; V285-R339 PolarHBondContact O-NH1 3.3Å; Y286-R339 HydrophobicContact CD1-CG 4.37Å; Y286-R339 HydrophobicContact CE1-CB 4.14Å; Y286-R339 HydrophobicContact CE1-CG 4.06Å; Y286-R339 HydrophobicContact CE2-CB 4.34Å; R339-L368 CarbonylContact C-O 3.49Å; R339-L368 WeakPolarHBondContact CA-O 3.17Å; R339-A369 HydrophobicContact CB-CB 4.26Å |
| 340 | L | 93.9 | Very high | 89.2 | Confident | 82 Ų | 82 | 64.6 Ų | 64.6 | 43% | 0.429 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 136.6 | 169.4 | -176.7 | 63.5 | 0 | 0 | 0 | 108 | Y286 L368 | Y286-L340 VanDerWaalsContact CE1-O 3.24Å; Y286-L340 WeakPolarHBondContact CE1-O 3.41Å; Y286-L340 PolarHBondContact OH-O 3.49Å; L340-L368 HydrophobicContact CB-CB 3.91Å; L340-L368 HydrophobicContact CD2-CB 4.24Å; L340-L368 PolarHBondContact N-O 2.88Å |
| 341 | E | 90.1 | Very high | 90.2 | Very high | 131 Ų | 131 | 66.6 Ų | 66.6 | 61% | 0.612 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 137.3 | 179 | -173.5 | 169.7 | -160.1 | 0 | 0 | 110.2 | ||
| 342 | L | 89.2 | Confident | 91 | Very high | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.016 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 152.6 | 172.4 | -67.3 | -179.9 | 0 | 0 | 0 | 110.3 | Y286 W296 I365 L367 | Y286-L342 HydrophobicContact CD1-CD1 3.85Å; Y286-L342 HydrophobicContact CD1-CG 4.04Å; Y286-L342 HydrophobicContact CE1-CD1 4.06Å; Y286-L342 HydrophobicContact CE1-CD2 4.35Å; Y286-L342 HydrophobicContact CE1-CG 3.8Å; W296-L342 HydrophobicContact CB-CB 3.83Å; W296-L342 HydrophobicContact CB-CD1 4.2Å; W296-L342 HydrophobicContact CD2-CB 4.1Å; W296-L342 HydrophobicContact CG-CB 3.66Å; W296-L342 PolarHBondContact NE1-O 3.33Å; W296-L342 VanDerWaalsContact NE1-O 3.09Å; L342-I365 HydrophobicContact CD2-CG2 3.99Å; L342-L367 HydrophobicContact CD1-CD2 3.92Å; L342-L367 HydrophobicContact CD2-CD2 3.7Å; L342-L367 HydrophobicContact CG-CD2 4.31Å |
| 343 | L | 88.2 | Confident | 91.3 | Very high | 51 Ų | 51 | 65 Ų | 65 | 27% | 0.267 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -103.1 | 156.1 | 178.9 | -61 | 179 | 0 | 0 | 0 | 109.8 | V297 E347 I348 | V297-L343 PolarHBondContact N-O 3.16Å; L343-E347 HydrophobicContact CB-CB 4.17Å; L343-I348 HydrophobicContact CB-CD1 4.23Å; L343-I348 HydrophobicContact CB-CG1 3.78Å; L343-I348 HydrophobicContact CD1-CG1 4.23Å |
| 344 | S | 88.7 | Confident | 91.6 | Very high | 14 Ų | 14 | 68.8 Ų | 68.8 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -71.8 | 159.6 | 164.7 | 63.9 | 0 | 0 | 0 | 0 | 111.8 | D295 S346 E347 I348 | D295-S344 WeakPolarHBondContact O-CA 3.43Å; S344-S346 PolarHBondContact O-N 3.08Å; S344-S346 PolarHBondContact OG-OG 3.42Å; S344-S346 VanDerWaalsContact OG-OG 3.1Å; S344-E347 PolarHBondContact N-OE2 3.22Å; S344-E347 PolarHBondContact O-N 2.94Å; S344-E347 VanDerWaalsContact O-N 3.16Å; S344-E347 VanDerWaalsContact OG-CG 3.28Å; S344-E347 WeakPolarHBondContact OG-CG 3.24Å; S344-E347 PolarHBondContact OG-N 3.08Å; S344-E347 PolarHBondContact OG-OE2 3.14Å; S344-I348 WeakPolarHBondContact O-CG1 3.31Å; S344-I348 PolarHBondContact O-N 3.3Å |
| 345 | C | 88.9 | Confident | 91.7 | Very high | 29 Ų | 29 | 68.8 Ų | 68.8 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -50 | -46.2 | 169.5 | 170.7 | 0 | 0 | 0 | 0 | 112.1 | V297 T305 E347 I348 L349 | V297-C345 HydrophobicContact CG1-CB 4.16Å; T305-C345 HydrophobicContact CG2-CB 3.82Å; T305-C345 WeakPolarHBondContact CG2-SG 3.24Å; C345-E347 VanDerWaalsContact C-N 3.31Å; C345-E347 PolarHBondContact O-N 3.42Å; C345-I348 PolarHBondContact O-N 3.09Å; C345-L349 WeakPolarHBondContact O-CB 2.95Å; C345-L349 WeakPolarHBondContact O-CG 3.39Å; C345-L349 PolarHBondContact O-N 2.83Å; C345-L349 VanDerWaalsContact SG-CD1 3.57Å |
| 346 | S | 89.1 | Confident | 91.7 | Very high | 71 Ų | 71 | 64 Ų | 64 | 50% | 0.497 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | -177.9 | 74.8 | 0 | 0 | 0 | 0 | 112.3 | S344 N350 | S344-S346 PolarHBondContact O-N 3.08Å; S344-S346 PolarHBondContact OG-OG 3.42Å; S344-S346 VanDerWaalsContact OG-OG 3.1Å; S346-N350 WeakPolarHBondContact O-CB 3.37Å; S346-N350 PolarHBondContact O-N 3.08Å; S346-N350 PolarHBondContact O-ND2 2.76Å |
| 347 | E | 90.2 | Very high | 91.7 | Very high | 50 Ų | 50 | 62.8 Ų | 62.8 | 23% | 0.234 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -69 | -40.8 | 177.2 | -70.9 | 173.4 | 107.1 | 0 | 0 | 112.2 | L343 S344 C345 N350 R351 | L343-E347 HydrophobicContact CB-CB 4.17Å; S344-E347 PolarHBondContact N-OE2 3.22Å; S344-E347 PolarHBondContact O-N 2.94Å; S344-E347 VanDerWaalsContact O-N 3.16Å; S344-E347 VanDerWaalsContact OG-CG 3.28Å; S344-E347 WeakPolarHBondContact OG-CG 3.24Å; S344-E347 PolarHBondContact OG-N 3.08Å; S344-E347 PolarHBondContact OG-OE2 3.14Å; C345-E347 VanDerWaalsContact C-N 3.31Å; C345-E347 PolarHBondContact O-N 3.42Å; E347-N350 PolarHBondContact O-N 3.14Å; E347-R351 VanDerWaalsContact O-CB 3.23Å; E347-R351 WeakPolarHBondContact O-CB 3.41Å; E347-R351 WeakPolarHBondContact O-CG 3.24Å; E347-R351 PolarHBondContact O-N 3.14Å; E347-R351 IonicContact OE1-NH2 3.59Å; E347-R351 PolarHBondContact OE1-NH2 2.96Å |
| 348 | I | 90.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 60.9 Ų | 60.9 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.7 | -53.5 | 176.7 | -66.2 | 166.3 | 0 | 0 | 0 | 109.5 | V297 V300 L343 S344 C345 N350 R351 V352 G353 L355 I365 | V297-I348 HydrophobicContact CG2-CD1 3.41Å; V297-I348 VanDerWaalsContact CG2-CD1 3.41Å; V300-I348 HydrophobicContact CG2-CD1 3.86Å; V300-I348 HydrophobicContact CG2-CG2 4.2Å; L343-I348 HydrophobicContact CB-CD1 4.23Å; L343-I348 HydrophobicContact CB-CG1 3.78Å; L343-I348 HydrophobicContact CD1-CG1 4.23Å; S344-I348 WeakPolarHBondContact O-CG1 3.31Å; S344-I348 PolarHBondContact O-N 3.3Å; C345-I348 PolarHBondContact O-N 3.09Å; I348-N350 VanDerWaalsContact C-N 3.29Å; I348-N350 PolarHBondContact O-N 3.34Å; I348-R351 PolarHBondContact O-N 3.48Å; I348-V352 HydrophobicContact CG2-CG2 3.85Å; I348-V352 VanDerWaalsContact O-CG2 3.31Å; I348-V352 WeakPolarHBondContact O-CG2 3.41Å; I348-V352 PolarHBondContact O-N 3.08Å; I348-G353 PolarHBondContact O-N 3.12Å; I348-L355 HydrophobicContact CG2-CD1 4.12Å; I348-L355 HydrophobicContact CG2-CD2 4.28Å; I348-L355 HydrophobicContact CG2-CG 4.24Å; I348-I365 HydrophobicContact CD1-CD1 3.99Å; I348-I365 HydrophobicContact CD1-CG1 4.02Å |
| 349 | L | 90.2 | Very high | 91.4 | Very high | 47 Ų | 47 | 59.1 Ų | 59.1 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.5 | -37.1 | -178.8 | -67.1 | -179.1 | 0 | 0 | 0 | 112.3 | V300 C345 G353 Y354 | V300-L349 HydrophobicContact CG1-CD2 4Å; C345-L349 WeakPolarHBondContact O-CB 2.95Å; C345-L349 WeakPolarHBondContact O-CG 3.39Å; C345-L349 PolarHBondContact O-N 2.83Å; C345-L349 VanDerWaalsContact SG-CD1 3.57Å; L349-G353 VanDerWaalsContact O-CA 3.25Å; L349-G353 WeakPolarHBondContact O-CA 3.23Å; L349-G353 PolarHBondContact O-N 2.85Å; L349-G353 VanDerWaalsContact O-N 3.16Å; L349-Y354 HydrophobicContact CD1-CE1 4.33Å; L349-Y354 HydrophobicContact CD2-CD1 3.51Å; L349-Y354 HydrophobicContact CD2-CE1 3.74Å; L349-Y354 HydrophobicContact CD2-CG 4.13Å |
| 350 | N | 90.9 | Very high | 91.4 | Very high | 139 Ų | 139 | 55.7 Ų | 55.7 | 74% | 0.743 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -74.4 | -31.8 | 178.3 | -72.6 | -27.3 | 0 | 0 | 0 | 113.4 | S346 E347 I348 | S346-N350 WeakPolarHBondContact O-CB 3.37Å; S346-N350 PolarHBondContact O-N 3.08Å; S346-N350 PolarHBondContact O-ND2 2.76Å; E347-N350 PolarHBondContact O-N 3.14Å; I348-N350 VanDerWaalsContact C-N 3.29Å; I348-N350 PolarHBondContact O-N 3.34Å |
| 351 | R | 89.9 | Confident | 91.4 | Very high | 163 Ų | 163 | 51.8 Ų | 51.8 | 62% | 0.615 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -87.7 | -44.8 | -176.6 | -70.5 | 178.3 | -169.9 | -161.9 | 12.1 | 112.8 | E347 I348 | E347-R351 VanDerWaalsContact O-CB 3.23Å; E347-R351 WeakPolarHBondContact O-CB 3.41Å; E347-R351 WeakPolarHBondContact O-CG 3.24Å; E347-R351 PolarHBondContact O-N 3.14Å; E347-R351 IonicContact OE1-NH2 3.59Å; E347-R351 PolarHBondContact OE1-NH2 2.96Å; I348-R351 PolarHBondContact O-N 3.48Å |
| 352 | V | 89.5 | Confident | 91.8 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 28% | 0.279 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -16.6 | -171.5 | -54.8 | 0 | 0 | 0 | 0 | 113.5 | I348 L355 N357 | I348-V352 HydrophobicContact CG2-CG2 3.85Å; I348-V352 VanDerWaalsContact O-CG2 3.31Å; I348-V352 WeakPolarHBondContact O-CG2 3.41Å; I348-V352 PolarHBondContact O-N 3.08Å; V352-L355 HydrophobicContact CG2-CD2 3.94Å; V352-N357 PolarHBondContact O-ND2 3.26Å; V352-N357 VanDerWaalsContact O-ND2 3.1Å |
| 353 | G | 91.8 | Very high | 92.1 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 23% | 0.227 | 24% | 0.244 | C | C | . | . | trans | 88.7 | -163.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I348 L349 | I348-G353 PolarHBondContact O-N 3.12Å; L349-G353 VanDerWaalsContact O-CA 3.25Å; L349-G353 WeakPolarHBondContact O-CA 3.23Å; L349-G353 PolarHBondContact O-N 2.85Å; L349-G353 VanDerWaalsContact O-N 3.16Å | ||
| 354 | Y | 93.8 | Very high | 92.5 | Very high | 92 Ų | 92 | 43.7 Ų | 43.7 | 36% | 0.361 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -65.7 | 152 | 177.3 | -61.4 | -74.1 | 0 | 0 | 0 | 111.4 | L31 G302 L349 N357 | L31-Y354 HydrophobicContact CB-CD1 4.06Å; L31-Y354 HydrophobicContact CB-CD2 3.82Å; L31-Y354 HydrophobicContact CB-CE1 4.3Å; L31-Y354 HydrophobicContact CB-CE2 4.08Å; L31-Y354 HydrophobicContact CB-CG 3.82Å; L31-Y354 HydrophobicContact CD1-CD1 3.99Å; L31-Y354 HydrophobicContact CD1-CE1 3.53Å; L31-Y354 HydrophobicContact CD1-CE2 4.29Å; G302-Y354 WeakPolarHBondContact O-CD1 3.45Å; G302-Y354 WeakPolarHBondContact O-CE1 3.43Å; L349-Y354 HydrophobicContact CD1-CE1 4.33Å; L349-Y354 HydrophobicContact CD2-CD1 3.51Å; L349-Y354 HydrophobicContact CD2-CE1 3.74Å; L349-Y354 HydrophobicContact CD2-CG 4.13Å; Y354-N357 WeakPolarHBondContact O-CB 3.3Å; Y354-N357 PolarHBondContact O-ND2 3.19Å |
| 355 | L | 95.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -113.2 | 148.2 | -178.9 | -51.2 | -174.2 | 0 | 0 | 0 | 111.1 | C32 V300 I348 V352 N357 C360 D363 I365 | C32-L355 VanDerWaalsContact SG-C 3.52Å; C32-L355 PolarHBondContact SG-O 3.25Å; V300-L355 HydrophobicContact CB-CD1 4.06Å; V300-L355 HydrophobicContact CB-CG 4.27Å; V300-L355 HydrophobicContact CG2-CD1 4.44Å; I348-L355 HydrophobicContact CG2-CD1 4.12Å; I348-L355 HydrophobicContact CG2-CD2 4.28Å; I348-L355 HydrophobicContact CG2-CG 4.24Å; V352-L355 HydrophobicContact CG2-CD2 3.94Å; L355-N357 VanDerWaalsContact CD2-ND2 3.3Å; L355-N357 WeakPolarHBondContact CD2-ND2 3.44Å; L355-C360 HydrophobicContact CD2-CB 3.85Å; L355-D363 HydrophobicContact CB-CB 4.31Å; L355-I365 HydrophobicContact CD1-CD1 3.74Å |
| 356 | P | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | cis | -74.8 | 157.1 | -7.3 | 28.6 | -28.4 | 0 | 0 | 0 | 112 | L17 M22 I37 C360 | L17-P356 HydrophobicContact CD2-CG 4.32Å; M22-P356 HydrophobicContact SD-CG 4.15Å; I37-P356 HydrophobicContact CB-CG 4.48Å; I37-P356 HydrophobicContact CG2-CG 3.93Å; P356-C360 CarbonylContact C-O 3.44Å; P356-C360 WeakPolarHBondContact CA-O 3.38Å; P356-C360 WeakPolarHBondContact CB-O 3.08Å |
| 357 | N | 94.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 5% | 0.048 | 21% | 0.21 | C | C | . | . | trans | -145 | -169.5 | -179.2 | 63.4 | 44.7 | 0 | 0 | 0 | 112 | E36 V352 Y354 L355 Q359 C360 | E36-N357 WeakPolarHBondContact OE2-CA 3.48Å; E36-N357 WeakPolarHBondContact OE2-CB 3.32Å; V352-N357 PolarHBondContact O-ND2 3.26Å; V352-N357 VanDerWaalsContact O-ND2 3.1Å; Y354-N357 WeakPolarHBondContact O-CB 3.3Å; Y354-N357 PolarHBondContact O-ND2 3.19Å; L355-N357 VanDerWaalsContact CD2-ND2 3.3Å; L355-N357 WeakPolarHBondContact CD2-ND2 3.44Å; N357-Q359 PolarHBondContact O-N 3.44Å; N357-Q359 WeakPolarHBondContact OD1-CA 3.28Å; N357-Q359 PolarHBondContact OD1-N 3.46Å; N357-C360 PolarHBondContact N-O 3.46Å; N357-C360 VanDerWaalsContact O-O 3.05Å; N357-C360 PolarHBondContact OD1-N 2.99Å | ||
| 358 | A | 92.3 | Very high | 94 | Very high | 64 Ų | 64 | 39.5 Ų | 39.5 | 53% | 0.529 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -63.1 | -20.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | E36 | E36-A358 HydrophobicContact CG-CB 4.4Å; E36-A358 PolarHBondContact OE2-N 2.79Å |
| 359 | Q | 91.4 | Very high | 94.4 | Very high | 125 Ų | 125 | 39.3 Ų | 39.3 | 58% | 0.584 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -101.9 | -35.3 | -179.7 | -61.7 | -178.5 | 10.7 | 0 | 0 | 112.6 | N357 | N357-Q359 PolarHBondContact O-N 3.44Å; N357-Q359 WeakPolarHBondContact OD1-CA 3.28Å; N357-Q359 PolarHBondContact OD1-N 3.46Å |
| 360 | C | 94.5 | Very high | 94.8 | Very high | 25 Ų | 25 | 39 Ų | 39 | 17% | 0.169 | 20% | 0.203 | C | C | . | . | trans | -119.7 | 113.5 | -176.9 | -63.7 | 0 | 0 | 0 | 0 | 109.6 | E49 L355 P356 N357 S362 | E49-C360 WeakPolarHBondContact OE1-CA 3.17Å; L355-C360 HydrophobicContact CD2-CB 3.85Å; P356-C360 CarbonylContact C-O 3.44Å; P356-C360 WeakPolarHBondContact CA-O 3.38Å; P356-C360 WeakPolarHBondContact CB-O 3.08Å; N357-C360 PolarHBondContact N-O 3.46Å; N357-C360 VanDerWaalsContact O-O 3.05Å; N357-C360 PolarHBondContact OD1-N 2.99Å; C360-S362 VanDerWaalsContact C-N 3.28Å; C360-S362 PolarHBondContact O-N 3.17Å | ||
| 361 | G | 95.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -82 | -4.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R42 E49 | R42-G361 VanDerWaalsContact CZ-O 3.29Å; R42-G361 PolarHBondContact NE-O 2.89Å; R42-G361 PolarHBondContact NH2-O 2.95Å; E49-G361 PolarHBondContact OE1-N 2.7Å |
| 362 | S | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -121.8 | 161.5 | 173 | -164.6 | 0 | 0 | 0 | 0 | 111 | Y14 N15 C360 H364 | Y14-S362 VanDerWaalsContact CE2-CB 3.49Å; Y14-S362 VanDerWaalsContact OH-CB 3.27Å; Y14-S362 WeakPolarHBondContact OH-CB 3.43Å; N15-S362 WeakPolarHBondContact O-CB 3.19Å; N15-S362 PolarHBondContact O-OG 2.88Å; C360-S362 VanDerWaalsContact C-N 3.28Å; C360-S362 PolarHBondContact O-N 3.17Å; S362-H364 PolarHBondContact OG-N 3.31Å |
| 363 | D | 96.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.011 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -84.8 | -10.7 | 166.6 | 56.9 | -10.9 | 0 | 0 | 0 | 113.2 | L17 Y29 F299 V300 I301 L355 | L17-D363 WeakPolarHBondContact CB-OD1 3.19Å; L17-D363 HydrophobicContact CD2-CB 4.41Å; Y29-D363 HydrophobicContact CE1-CB 4.19Å; Y29-D363 PolarHBondContact OH-OD2 2.91Å; F299-D363 CarbonylContact C-O 3.58Å; F299-D363 VanDerWaalsContact CA-O 3.27Å; F299-D363 WeakPolarHBondContact CA-O 3.44Å; V300-D363 PolarHBondContact N-O 3.01Å; I301-D363 WeakPolarHBondContact CD1-OD2 3.44Å; I301-D363 HydrophobicContact CG1-CB 3.86Å; I301-D363 WeakPolarHBondContact CG1-OD2 3.42Å; L355-D363 HydrophobicContact CB-CB 4.31Å |
| 364 | H | 97 | Very high | 94.9 | Very high | 13 Ų | 13 | 24.7 Ų | 24.7 | 6% | 0.06 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -91 | 161.9 | 169.3 | -71.2 | -109.8 | 0 | 0 | 0 | 112.5 | Y14 N15 D198 S298 D309 S362 | Y14-H364 HydrophobicContact CE2-CB 4.39Å; Y14-H364 VanDerWaalsContact CE2-O 3.31Å; Y14-H364 WeakPolarHBondContact CE2-O 3.4Å; N15-H364 HydrophobicContact CB-CB 3.97Å; N15-H364 PolarHBondContact ND2-NE2 2.76Å; D198-H364 IonicContact OD2-CE1 3.77Å; D198-H364 PolarHBondContact OD2-CE1 3.31Å; D198-H364 IonicContact OD2-NE2 2.7Å; S298-H364 CarbonylContact O-C 3.5Å; S298-H364 VanDerWaalsContact O-CA 3.29Å; S298-H364 WeakPolarHBondContact O-CA 3.31Å; D309-H364 IonicContact OD1-ND1 3.92Å; D309-H364 PolarHBondContact OD1-ND1 2.81Å; D309-H364 IonicContact OD2-CE1 3.65Å; D309-H364 IonicContact OD2-CG 3.79Å; D309-H364 IonicContact OD2-ND1 3.79Å; D309-H364 PolarHBondContact OD2-ND1 2.72Å; S362-H364 PolarHBondContact OG-N 3.31Å |
| 365 | I | 95.4 | Very high | 93.7 | Very high | 32 Ų | 32 | 22.5 Ų | 22.5 | 16% | 0.164 | 12% | 0.123 | C | C | . | . | trans | -108.1 | 132.9 | 177.7 | -55.4 | -58.4 | 0 | 0 | 0 | 109.3 | S298 L342 I348 L355 L367 | S298-I365 PolarHBondContact O-N 2.95Å; L342-I365 HydrophobicContact CD2-CG2 3.99Å; I348-I365 HydrophobicContact CD1-CD1 3.99Å; I348-I365 HydrophobicContact CD1-CG1 4.02Å; L355-I365 HydrophobicContact CD1-CD1 3.74Å; I365-L367 PolarHBondContact O-N 3.39Å | ||
| 366 | P | 97.3 | Very high | 93.6 | Very high | 16 Ų | 16 | 23.6 Ų | 23.6 | 10% | 0.104 | 13% | 0.13 | C | C | . | . | trans | -66.3 | 129.6 | 178.7 | 25.9 | -34.3 | 0 | 0 | 0 | 112.1 | Y14 L53 | Y14-P366 HydrophobicContact CD1-CB 4.05Å; Y14-P366 HydrophobicContact CD2-CB 4.27Å; Y14-P366 HydrophobicContact CE1-CB 4.47Å; Y14-P366 HydrophobicContact CG-CB 3.95Å; L53-P366 HydrophobicContact CD1-CB 3.95Å; L53-P366 HydrophobicContact CD1-CG 4.03Å; L53-P366 HydrophobicContact CD2-CG 4.46Å | ||
| 367 | L | 97.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 105.5 | 170.4 | -57.6 | -169.7 | 0 | 0 | 0 | 109.8 | C12 S13 Y286 D309 M311 L342 I365 | C12-L367 CarbonylContact C-O 3.49Å; C12-L367 VanDerWaalsContact CA-O 3.27Å; C12-L367 WeakPolarHBondContact CA-O 3.43Å; S13-L367 PolarHBondContact N-O 2.86Å; S13-L367 PolarHBondContact O-N 2.98Å; Y286-L367 HydrophobicContact CD2-CD1 4.4Å; Y286-L367 HydrophobicContact CE1-CD2 4.43Å; Y286-L367 HydrophobicContact CE2-CB 3.84Å; Y286-L367 HydrophobicContact CE2-CD1 4.38Å; Y286-L367 HydrophobicContact CE2-CD2 4.28Å; Y286-L367 HydrophobicContact CE2-CG 4.4Å; D309-L367 HydrophobicContact CB-CD1 3.8Å; D309-L367 HydrophobicContact CB-CG 4.22Å; D309-L367 WeakPolarHBondContact O-CD1 3.18Å; M311-L367 HydrophobicContact CE-CB 4.1Å; M311-L367 WeakPolarHBondContact CE-O 3.28Å; L342-L367 HydrophobicContact CD1-CD2 3.92Å; L342-L367 HydrophobicContact CD2-CD2 3.7Å; L342-L367 HydrophobicContact CG-CD2 4.31Å; I365-L367 PolarHBondContact O-N 3.39Å |
| 368 | L | 98.3 | Very high | 93.5 | Very high | 29 Ų | 29 | 25.7 Ų | 25.7 | 15% | 0.152 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 130.7 | -179.7 | -179.4 | 69.8 | 0 | 0 | 0 | 111.7 | L11 C12 L53 A55 Y286 R339 L340 | L11-L368 WeakPolarHBondContact O-CA 3.49Å; C12-L368 HydrophobicContact CB-CD1 3.87Å; L53-L368 HydrophobicContact CD2-CD2 4.13Å; A55-L368 HydrophobicContact CB-CD1 3.65Å; Y286-L368 PolarHBondContact OH-N 2.91Å; Y286-L368 PolarHBondContact OH-O 3.41Å; R339-L368 CarbonylContact C-O 3.49Å; R339-L368 WeakPolarHBondContact CA-O 3.17Å; L340-L368 HydrophobicContact CB-CB 3.91Å; L340-L368 HydrophobicContact CD2-CB 4.24Å; L340-L368 PolarHBondContact N-O 2.88Å |
| 369 | A | 98.4 | Very high | 93.6 | Very high | 2 Ų | 2 | 23.5 Ų | 23.5 | 2% | 0.017 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 146.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T10 L11 V285 M311 R338 R339 F371 | T10-A369 CarbonylContact C-O 3.59Å; T10-A369 VanDerWaalsContact CA-O 3.23Å; T10-A369 WeakPolarHBondContact CA-O 3.5Å; L11-A369 PolarHBondContact N-O 3.32Å; L11-A369 PolarHBondContact O-N 3.21Å; V285-A369 HydrophobicContact CG1-CB 3.56Å; M311-A369 HydrophobicContact SD-CB 3.89Å; R338-A369 WeakPolarHBondContact O-CA 3.31Å; R339-A369 HydrophobicContact CB-CB 4.26Å; A369-F371 HydrophobicContact CB-CD2 4.43Å; A369-F371 HydrophobicContact CB-CE2 3.69Å; A369-F371 HydrophobicContact CB-CZ 4.03Å |
| 370 | E | 98.2 | Very high | 93.7 | Very high | 41 Ų | 41 | 17.1 Ų | 17.1 | 19% | 0.192 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 130.6 | 172 | -173.3 | -177.9 | 69.6 | 0 | 0 | 109.8 | F9 T10 K337 R338 | F9-E370 CarbonylContact O-C 3.46Å; F9-E370 WeakPolarHBondContact O-CA 3.31Å; T10-E370 HydrophobicContact CG2-CB 4.02Å; T10-E370 HydrophobicContact CG2-CG 4.18Å; K337-E370 PolarHBondContact N-O 3.32Å; R338-E370 HydrophobicContact CG-CB 3.73Å; R338-E370 IonicContact CZ-OE1 3.92Å; R338-E370 IonicContact CZ-OE2 3.02Å; R338-E370 VanDerWaalsContact NE-CD 3.26Å; R338-E370 IonicContact NE-OE1 3.95Å; R338-E370 PolarHBondContact NE-OE1 3.2Å; R338-E370 IonicContact NE-OE2 2.83Å; R338-E370 PolarHBondContact NE-OE2 2.96Å; R338-E370 IonicContact NH2-OE1 3.5Å; R338-E370 PolarHBondContact NH2-OE1 2.84Å; R338-E370 IonicContact NH2-OE2 3.66Å; R338-E370 PolarHBondContact NH2-OE2 3.45Å; R338-E370 PolarHBondContact O-N 3.11Å |
| 371 | F | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 150.5 | 179.1 | -63.7 | -91.3 | 0 | 0 | 0 | 111 | A8 F9 L11 I194 V285 M311 Y313 L334 R335 C336 A369 | A8-F371 CarbonylContact C-O 3.53Å; A8-F371 VanDerWaalsContact CA-O 3.29Å; A8-F371 WeakPolarHBondContact CA-O 3.44Å; F9-F371 HydrophobicContact CD1-CB 4.21Å; F9-F371 HydrophobicContact CE1-CB 3.65Å; F9-F371 HydrophobicContact CE2-CB 4.14Å; F9-F371 HydrophobicContact CE2-CD2 4.14Å; F9-F371 HydrophobicContact CE2-CG 4.42Å; F9-F371 HydrophobicContact CZ-CB 3.6Å; F9-F371 HydrophobicContact CZ-CD2 4.28Å; F9-F371 HydrophobicContact CZ-CG 4.1Å; F9-F371 PolarHBondContact N-O 3.46Å; F9-F371 PolarHBondContact O-N 3.02Å; L11-F371 HydrophobicContact CB-CD2 4.38Å; L11-F371 HydrophobicContact CB-CE2 4.05Å; I194-F371 HydrophobicContact CD1-CD1 4.18Å; I194-F371 HydrophobicContact CD1-CD2 3.94Å; I194-F371 HydrophobicContact CD1-CE1 4.07Å; I194-F371 HydrophobicContact CD1-CE2 3.82Å; I194-F371 HydrophobicContact CD1-CG 4.12Å; I194-F371 HydrophobicContact CD1-CZ 3.87Å; I194-F371 HydrophobicContact CG1-CE1 4.37Å; I194-F371 HydrophobicContact CG1-CZ 4.34Å; V285-F371 HydrophobicContact CG2-CE1 4.09Å; V285-F371 HydrophobicContact CG2-CZ 3.78Å; M311-F371 HydrophobicContact SD-CE2 4.01Å; M311-F371 HydrophobicContact SD-CZ 3.85Å; Y313-F371 HydrophobicContact CD1-CE1 4.03Å; Y313-F371 AromaticContact CG-CE1 3.9Å; Y313-F371 HydrophobicContact CG-CE1 3.9Å; L334-F371 HydrophobicContact CD1-CB 3.8Å; L334-F371 HydrophobicContact CD1-CD1 4.05Å; L334-F371 HydrophobicContact CD1-CG 4.22Å; L334-F371 HydrophobicContact CD2-CD1 4.49Å; L334-F371 HydrophobicContact CG-CD1 4.2Å; R335-F371 CarbonylContact O-C 3.54Å; R335-F371 WeakPolarHBondContact O-CA 3.35Å; C336-F371 HydrophobicContact CB-CD1 4.05Å; C336-F371 HydrophobicContact CB-CE1 3.87Å; A369-F371 HydrophobicContact CB-CD2 4.43Å; A369-F371 HydrophobicContact CB-CE2 3.69Å; A369-F371 HydrophobicContact CB-CZ 4.03Å |
| 372 | E | 93.7 | Very high | 93.5 | Very high | 45 Ų | 45 | 17.8 Ų | 17.8 | 21% | 0.21 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.6 | 166.6 | -87.6 | 171.9 | -165.1 | 0 | 0 | 109.3 | P6 L334 R335 K337 | P6-E372 HydrophobicContact CB-CB 4.11Å; P6-E372 HydrophobicContact CB-CG 4.09Å; L334-E372 WeakPolarHBondContact CA-O 3.45Å; R335-E372 PolarHBondContact N-O 3.25Å; R335-E372 PolarHBondContact O-N 3.3Å; K337-E372 HydrophobicContact CD-CB 4.19Å; K337-E372 HydrophobicContact CD-CG 3.95Å; K337-E372 VanDerWaalsContact CD-OE2 3.31Å; K337-E372 WeakPolarHBondContact CD-OE2 3.2Å; K337-E372 WeakPolarHBondContact CE-OE1 3.42Å; K337-E372 HydrophobicContact CG-CB 3.99Å; K337-E372 HydrophobicContact CG-CG 3.63Å; K337-E372 IonicContact NZ-OE1 2.89Å; K337-E372 PolarHBondContact NZ-OE1 3.42Å; K337-E372 IonicContact NZ-OE2 2.84Å; K337-E372 PolarHBondContact NZ-OE2 2.82Å |
| 373 | F | 89.7 | Confident | 93.2 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 122.8 | 169.9 | -172 | -89.7 | 0 | 0 | 0 | 110.1 | P6 I7 F9 V135 H149 I151 P192 K333 | P6-F373 CarbonylContact C-O 3.48Å; P6-F373 VanDerWaalsContact CA-O 3.27Å; P6-F373 WeakPolarHBondContact CA-O 3.4Å; I7-F373 HydrophobicContact CB-CB 4.47Å; I7-F373 PolarHBondContact N-O 3.17Å; I7-F373 PolarHBondContact O-N 3.49Å; F9-F373 HydrophobicContact CE1-CB 4.23Å; V135-F373 HydrophobicContact CG2-CD1 4.3Å; V135-F373 HydrophobicContact CG2-CD2 4.1Å; V135-F373 HydrophobicContact CG2-CE1 4.4Å; V135-F373 HydrophobicContact CG2-CE2 4.19Å; V135-F373 HydrophobicContact CG2-CG 4.15Å; V135-F373 HydrophobicContact CG2-CZ 4.34Å; H149-F373 HydrophobicContact CB-CE1 3.89Å; H149-F373 HydrophobicContact CB-CZ 4.23Å; H149-F373 AromaticContact ND1-CE1 3.86Å; I151-F373 HydrophobicContact CB-CE2 4.49Å; P192-F373 HydrophobicContact CG-CE2 3.92Å; K333-F373 CarbonylContact O-C 3.47Å; K333-F373 WeakPolarHBondContact O-CA 3.37Å |
| 374 | V | 82.8 | Confident | 92.9 | Very high | 23 Ų | 23 | 20.6 Ų | 20.6 | 14% | 0.139 | 10% | 0.104 | C | C | . | . | trans | -102.7 | 126.7 | 179.3 | -172.3 | 0 | 0 | 0 | 0 | 108.9 | P6 V331 K333 | P6-V374 HydrophobicContact CB-CG2 4.37Å; P6-V374 HydrophobicContact CG-CG2 4.34Å; V331-V374 HydrophobicContact CG1-CG1 4.14Å; K333-V374 PolarHBondContact O-N 2.7Å | ||
| 375 | H | 69.6 | Low | 92.6 | Very high | 46 Ų | 46 | 21.3 Ų | 21.3 | 21% | 0.213 | 11% | 0.108 | C | C | . | . | trans | -58.9 | 0 | -171.4 | -73.5 | -84.3 | 0 | 0 | 0 | 114.9 | L4 I7 H149 | L4-H375 HydrophobicContact CB-CB 4.32Å; L4-H375 WeakPolarHBondContact CB-CD2 3.39Å; L4-H375 HydrophobicContact CD1-CB 4.13Å; I7-H375 VanDerWaalsContact CD1-CE1 3.47Å; I7-H375 WeakPolarHBondContact CD1-CE1 3.42Å; H149-H375 AromaticContact CD2-ND1 3.86Å; H149-H375 AromaticContact CE1-CG 3.74Å; H149-H375 AromaticContact CE1-ND1 3.03Å; H149-H375 PolarHBondContact CE1-ND1 3.32Å; H149-H375 AromaticContact CG-ND1 3.84Å; H149-H375 AromaticContact ND1-ND1 3.3Å; H149-H375 PolarHBondContact ND1-ND1 3.28Å; H149-H375 AromaticContact NE2-ND1 3.35Å; H149-H375 PolarHBondContact NE2-ND1 3.37Å |
Retrieved 375 of 375 residues in 376 ms
(Link to these results)