| 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 | 84.4 | Confident | 91.1 | Very high | 106 Ų | 106 | 53 Ų | 53 | 52% | 0.522 | 32% | 0.317 | S | S | . | . | 0 | 141.2 | 0 | -172.4 | 179.2 | -67.8 | 0 | 0 | 107.4 | N359 T362 | M1-N359 PolarHBondContact N-O 3.13Å; M1-N359 PolarHBondContact O-N 3.18Å; M1-T362 HydrophobicContact CB-CG2 3.65Å; M1-T362 VanDerWaalsContact N-C 3.28Å; M1-T362 PolarHBondContact N-O 2.57Å | |||
| 2 | A | 90.7 | Very high | 91.7 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 17% | 0.165 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 138 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | I325 V356 L357 W358 | A2-I325 HydrophobicContact CB-CD1 3.42Å; A2-I325 VanDerWaalsContact CB-CD1 3.42Å; A2-V356 HydrophobicContact CB-CG1 4.04Å; A2-L357 CarbonylContact C-O 3.54Å; A2-L357 WeakPolarHBondContact CA-O 3.36Å; A2-W358 HydrophobicContact CB-CD2 4.09Å; A2-W358 HydrophobicContact CB-CE3 3.47Å; A2-W358 VanDerWaalsContact CB-CE3 3.47Å; A2-W358 HydrophobicContact CB-CH2 4.43Å; A2-W358 HydrophobicContact CB-CZ3 3.67Å |
| 3 | I | 92.4 | Very high | 92.1 | Very high | 53 Ų | 53 | 47.7 Ų | 47.7 | 27% | 0.272 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 127.7 | -179.8 | -62.5 | 152.7 | 0 | 0 | 0 | 108.1 | H5 P42 V356 L357 | I3-H5 WeakPolarHBondContact CG2-NE2 3.46Å; I3-P42 HydrophobicContact CD1-CB 3.74Å; I3-P42 HydrophobicContact CD1-CG 4.16Å; I3-P42 HydrophobicContact CG1-CB 4.47Å; I3-V356 CarbonylContact O-C 3.56Å; I3-V356 VanDerWaalsContact O-CA 3.32Å; I3-V356 WeakPolarHBondContact O-CA 3.19Å; I3-L357 PolarHBondContact N-O 3.44Å; I3-L357 PolarHBondContact O-N 3.08Å |
| 4 | S | 93.8 | Very high | 92.6 | Very high | 52 Ų | 52 | 44.6 Ų | 44.6 | 36% | 0.364 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 131.2 | -179.8 | -174.4 | 0 | 0 | 0 | 0 | 111.2 | ||
| 5 | H | 95.4 | Very high | 93 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119.8 | 171.9 | -59.6 | -91.6 | 0 | 0 | 0 | 109.2 | I3 L7 P42 G44 F46 N354 L355 | I3-H5 WeakPolarHBondContact CG2-NE2 3.46Å; H5-L7 HydrophobicContact CB-CD2 4.2Å; H5-L7 PolarHBondContact O-N 3.23Å; H5-P42 PolarHBondContact CE1-O 2.95Å; H5-G44 PolarHBondContact ND1-O 3.29Å; H5-F46 HydrophobicContact CB-CD2 3.99Å; H5-F46 HydrophobicContact CB-CE2 3.84Å; H5-F46 AromaticContact CD2-CE2 3.69Å; H5-F46 AromaticContact CE1-CE2 4Å; H5-F46 AromaticContact CG-CD2 3.94Å; H5-F46 AromaticContact CG-CE2 3.49Å; H5-F46 VanDerWaalsContact CG-CE2 3.49Å; H5-F46 AromaticContact ND1-CD2 3.97Å; H5-F46 AromaticContact ND1-CE2 3.71Å; H5-F46 AromaticContact NE2-CE2 4Å; H5-N354 WeakPolarHBondContact O-CA 3.35Å; H5-L355 PolarHBondContact N-O 3.5Å; H5-L355 PolarHBondContact O-N 3.29Å |
| 6 | T | 94.3 | Very high | 93.3 | Very high | 88 Ų | 88 | 39.1 Ų | 39.1 | 54% | 0.54 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 114.3 | 169.1 | -64.2 | 0 | 0 | 0 | 0 | 109.1 | N354 | T6-N354 WeakPolarHBondContact CA-OD1 3.17Å; T6-N354 WeakPolarHBondContact CB-OD1 3.37Å; T6-N354 PolarHBondContact OG1-OD1 3.48Å |
| 7 | L | 94 | Very high | 93.6 | Very high | 47 Ų | 47 | 38.3 Ų | 38.3 | 25% | 0.246 | 23% | 0.227 | C | C | . | . | trans | -94.7 | -23.8 | 179.6 | -56.8 | -173.2 | 0 | 0 | 0 | 112.4 | H5 L12 L24 L26 F46 G353 L355 | H5-L7 HydrophobicContact CB-CD2 4.2Å; H5-L7 PolarHBondContact O-N 3.23Å; L7-L12 HydrophobicContact CD1-CD1 4.11Å; L7-L24 HydrophobicContact CD1-CD2 4.3Å; L7-L26 HydrophobicContact CB-CD2 4.5Å; L7-L26 HydrophobicContact CD1-CD2 3.64Å; L7-F46 HydrophobicContact CD2-CB 3.69Å; L7-F46 HydrophobicContact CD2-CD1 4.29Å; L7-F46 HydrophobicContact CD2-CD2 3.65Å; L7-F46 HydrophobicContact CD2-CE2 4.4Å; L7-F46 HydrophobicContact CD2-CG 3.61Å; L7-G353 PolarHBondContact N-O 3.42Å; L7-L355 HydrophobicContact CD1-CB 3.78Å; L7-L355 HydrophobicContact CD1-CD2 4.22Å; L7-L355 HydrophobicContact CG-CB 4.13Å | ||
| 8 | G | 86.7 | Confident | 93.8 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 30% | 0.299 | 22% | 0.22 | S | C | . | . | trans | -175.4 | -169 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R311 G353 | G8-R311 PolarHBondContact O-NH2 2.69Å; G8-G353 PolarHBondContact N-O 3Å | ||
| 9 | T | 85.6 | Confident | 93.9 | Very high | 56 Ų | 56 | 44.2 Ų | 44.2 | 34% | 0.344 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -97.1 | -22.6 | 171 | 48.2 | 0 | 0 | 0 | 0 | 112.4 | ||
| 10 | D | 90.2 | Very high | 93.9 | Very high | 87 Ų | 87 | 47.6 Ų | 47.6 | 47% | 0.465 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -73.3 | 155.6 | 178.8 | -65.2 | -59.3 | 0 | 0 | 0 | 113.4 | L12 G353 | D10-L12 PolarHBondContact O-N 3.12Å; D10-G353 VanDerWaalsContact O-CA 3.24Å; D10-G353 WeakPolarHBondContact O-CA 3.11Å |
| 11 | S | 95 | Very high | 93.9 | Very high | 27 Ų | 27 | 46.3 Ų | 46.3 | 19% | 0.189 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 123.5 | 173.3 | 170.2 | 0 | 0 | 0 | 0 | 111 | N29 N331 | S11-N29 PolarHBondContact O-N 2.65Å; S11-N331 PolarHBondContact OG-ND2 3.42Å |
| 12 | L | 97.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 124.8 | 171.1 | -52.3 | -168.5 | 0 | 0 | 0 | 109.1 | L7 D10 L26 V28 N331 V349 G350 N354 | L7-L12 HydrophobicContact CD1-CD1 4.11Å; D10-L12 PolarHBondContact O-N 3.12Å; L12-L26 HydrophobicContact CB-CD1 4.3Å; L12-L26 HydrophobicContact CD1-CD1 4.29Å; L12-L26 HydrophobicContact CD2-CD1 4.35Å; L12-L26 HydrophobicContact CD2-CD2 4.02Å; L12-L26 HydrophobicContact CD2-CG 4.49Å; L12-V28 HydrophobicContact CD2-CG1 3.74Å; L12-N331 PolarHBondContact O-ND2 2.96Å; L12-V349 HydrophobicContact CB-CB 3.72Å; L12-V349 HydrophobicContact CB-CG1 4.39Å; L12-V349 HydrophobicContact CB-CG2 4.2Å; L12-V349 HydrophobicContact CD1-CB 3.92Å; L12-V349 HydrophobicContact CD1-CG1 3.93Å; L12-V349 HydrophobicContact CG-CB 4.46Å; L12-G350 WeakPolarHBondContact CB-O 3.48Å; L12-G350 PolarHBondContact N-O 3.17Å; L12-G350 VanDerWaalsContact N-O 3.16Å; L12-N354 WeakPolarHBondContact CD1-O 3.47Å |
| 13 | V | 97.5 | Very high | 94.8 | Very high | 36 Ų | 36 | 45.1 Ų | 45.1 | 22% | 0.218 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -54.5 | -170.5 | 178.5 | 0 | 0 | 0 | 0 | 111.4 | S27 N29 T60 | V13-S27 PolarHBondContact N-O 2.89Å; V13-N29 HydrophobicContact CG2-CB 4.28Å; V13-T60 WeakPolarHBondContact CG1-O 3.36Å |
| 14 | S | 98.1 | Very high | 95 | Very high | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.028 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 151.4 | -179.9 | -172.1 | 0 | 0 | 0 | 0 | 111 | S27 I62 E332 | S14-S27 WeakPolarHBondContact CB-OG 3.32Å; S14-S27 PolarHBondContact N-O 3.43Å; S14-S27 PolarHBondContact N-OG 3.4Å; S14-S27 PolarHBondContact O-N 2.98Å; S14-S27 PolarHBondContact O-OG 3Å; S14-I62 PolarHBondContact OG-N 2.79Å; S14-E332 WeakPolarHBondContact CA-OE2 3.38Å; S14-E332 VanDerWaalsContact CB-OE2 3.32Å; S14-E332 WeakPolarHBondContact CB-OE2 3.35Å; S14-E332 PolarHBondContact OG-OE2 2.69Å |
| 15 | H | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 152.3 | -177.9 | 72.5 | -74 | 0 | 0 | 0 | 112.5 | F17 L24 A25 L26 E332 R334 S347 V349 | H15-F17 AromaticContact CD2-CE2 3.78Å; H15-L24 HydrophobicContact CB-CD1 3.99Å; H15-A25 CarbonylContact C-O 3.54Å; H15-A25 VanDerWaalsContact CA-O 3.25Å; H15-A25 WeakPolarHBondContact CA-O 3.39Å; H15-L26 HydrophobicContact CB-CD1 3.92Å; H15-E332 PolarHBondContact N-OE2 3.18Å; H15-E332 IonicContact ND1-OE2 3.95Å; H15-R334 WeakPolarHBondContact O-CD 3.41Å; H15-R334 PolarHBondContact O-NE 3.3Å; H15-R334 PolarHBondContact O-NH2 3.34Å; H15-S347 PolarHBondContact NE2-OG 3.36Å; H15-V349 HydrophobicContact CB-CG1 3.96Å; H15-V349 WeakPolarHBondContact ND1-CG1 3.48Å; H15-V349 VanDerWaalsContact ND1-CG2 3.3Å; H15-V349 WeakPolarHBondContact ND1-CG2 3.37Å |
| 16 | A | 98.5 | Very high | 95.4 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 135.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | L24 A25 I62 W64 | A16-L24 WeakPolarHBondContact O-CD1 3.3Å; A16-A25 PolarHBondContact N-O 3.34Å; A16-A25 PolarHBondContact O-N 2.88Å; A16-I62 HydrophobicContact CB-CG2 4.46Å; A16-W64 HydrophobicContact CB-CB 3.72Å |
| 17 | F | 98.1 | Very high | 95.5 | Very high | 25 Ų | 25 | 35.3 Ų | 35.3 | 11% | 0.11 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 151.8 | 174.7 | -69.3 | -96.6 | 0 | 0 | 0 | 110.2 | H15 E23 L24 V38 L336 L355 L357 | H15-F17 AromaticContact CD2-CE2 3.78Å; F17-E23 WeakPolarHBondContact CA-O 3.32Å; F17-L24 HydrophobicContact CD1-CB 4.27Å; F17-L24 HydrophobicContact CD1-CD1 4.09Å; F17-L24 HydrophobicContact CD2-CD1 3.87Å; F17-L24 HydrophobicContact CE1-CB 4.18Å; F17-L24 HydrophobicContact CE1-CD1 3.96Å; F17-L24 HydrophobicContact CE1-CG 4.47Å; F17-L24 HydrophobicContact CE2-CD1 3.71Å; F17-L24 HydrophobicContact CG-CD1 4.06Å; F17-L24 HydrophobicContact CZ-CD1 3.77Å; F17-L24 HydrophobicContact CZ-CD2 4.41Å; F17-V38 HydrophobicContact CD1-CG2 3.95Å; F17-V38 HydrophobicContact CE1-CG2 3.74Å; F17-L336 HydrophobicContact CB-CD1 4.09Å; F17-L336 HydrophobicContact CD1-CD1 3.59Å; F17-L336 HydrophobicContact CD2-CD1 3.57Å; F17-L336 HydrophobicContact CE1-CD1 3.8Å; F17-L336 HydrophobicContact CE2-CD1 3.79Å; F17-L336 HydrophobicContact CG-CD1 3.46Å; F17-L336 VanDerWaalsContact CG-CD1 3.46Å; F17-L336 HydrophobicContact CZ-CD1 3.89Å; F17-L355 HydrophobicContact CZ-CD2 4.29Å; F17-L357 HydrophobicContact CZ-CD2 4.4Å |
| 18 | N | 97.1 | Very high | 95.6 | Very high | 18 Ų | 18 | 33.8 Ų | 33.8 | 10% | 0.096 | 19% | 0.186 | C | C | . | . | trans | -69.7 | 175.3 | 164.5 | 74.4 | -20 | 0 | 0 | 0 | 110.7 | D20 G21 T22 E23 W64 | N18-D20 PolarHBondContact ND2-OD1 2.97Å; N18-D20 PolarHBondContact O-N 3.43Å; N18-D20 PolarHBondContact OD1-OD1 3.49Å; N18-G21 PolarHBondContact O-N 3.08Å; N18-G21 VanDerWaalsContact O-N 3.15Å; N18-G21 WeakPolarHBondContact OD1-CA 3.3Å; N18-G21 PolarHBondContact OD1-N 3.14Å; N18-G21 VanDerWaalsContact OD1-N 3.07Å; N18-T22 PolarHBondContact ND2-OG1 3.38Å; N18-T22 VanDerWaalsContact ND2-OG1 3.15Å; N18-T22 PolarHBondContact OD1-N 3.2Å; N18-E23 HydrophobicContact CB-CB 4.32Å; N18-E23 PolarHBondContact N-O 2.61Å; N18-E23 PolarHBondContact OD1-N 3.29Å; N18-E23 PolarHBondContact OD1-O 3.11Å; N18-W64 HydrophobicContact CB-CD2 4.03Å; N18-W64 HydrophobicContact CB-CE3 4.31Å; N18-W64 HydrophobicContact CB-CH2 4.02Å; N18-W64 HydrophobicContact CB-CZ2 3.68Å; N18-W64 HydrophobicContact CB-CZ3 4.31Å | ||
| 19 | R | 96 | Very high | 95.9 | Very high | 171 Ų | 171 | 36.3 Ų | 36.3 | 65% | 0.645 | 19% | 0.193 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -42.3 | -172.4 | -179 | 178.1 | 177.7 | 162 | 8.1 | 115.3 | P66 Q67 | R19-P66 HydrophobicContact CB-CB 3.75Å; R19-P66 WeakPolarHBondContact CB-O 3.38Å; R19-P66 WeakPolarHBondContact CD-O 3.25Å; R19-P66 HydrophobicContact CG-CB 4.15Å; R19-Q67 VanDerWaalsContact CZ-OE1 3.27Å |
| 20 | D | 93.5 | Very high | 96.4 | Very high | 112 Ų | 112 | 35.4 Ų | 35.4 | 60% | 0.599 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -2.3 | -176.6 | 61.2 | 11.1 | 0 | 0 | 0 | 112.7 | N18 T22 | N18-D20 PolarHBondContact ND2-OD1 2.97Å; N18-D20 PolarHBondContact O-N 3.43Å; N18-D20 PolarHBondContact OD1-OD1 3.49Å; D20-T22 VanDerWaalsContact C-N 3.27Å; D20-T22 HydrophobicContact CB-CG2 4.32Å; D20-T22 VanDerWaalsContact CG-OG1 3.28Å; D20-T22 PolarHBondContact O-N 3.08Å; D20-T22 WeakPolarHBondContact OD1-CB 3.37Å; D20-T22 WeakPolarHBondContact OD1-CG2 3.33Å; D20-T22 PolarHBondContact OD1-N 3.4Å; D20-T22 PolarHBondContact OD1-OG1 2.89Å; D20-T22 PolarHBondContact OD2-OG1 3.17Å |
| 21 | G | 94.7 | Very high | 96.7 | Very high | 20 Ų | 20 | 33.2 Ų | 33.2 | 21% | 0.206 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 71.4 | 18.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114 | N18 V38 | N18-G21 PolarHBondContact O-N 3.08Å; N18-G21 VanDerWaalsContact O-N 3.15Å; N18-G21 WeakPolarHBondContact OD1-CA 3.3Å; N18-G21 PolarHBondContact OD1-N 3.14Å; N18-G21 VanDerWaalsContact OD1-N 3.07Å; G21-V38 WeakPolarHBondContact O-CB 3.46Å; G21-V38 VanDerWaalsContact O-CG2 3.28Å; G21-V38 WeakPolarHBondContact O-CG2 3.35Å |
| 22 | T | 95.7 | Very high | 96.9 | Very high | 68 Ų | 68 | 33.1 Ų | 33.1 | 42% | 0.417 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -88.5 | -20.3 | 178.9 | 61.4 | 0 | 0 | 0 | 0 | 113.4 | N18 D20 V38 | N18-T22 PolarHBondContact ND2-OG1 3.38Å; N18-T22 VanDerWaalsContact ND2-OG1 3.15Å; N18-T22 PolarHBondContact OD1-N 3.2Å; D20-T22 VanDerWaalsContact C-N 3.27Å; D20-T22 HydrophobicContact CB-CG2 4.32Å; D20-T22 VanDerWaalsContact CG-OG1 3.28Å; D20-T22 PolarHBondContact O-N 3.08Å; D20-T22 WeakPolarHBondContact OD1-CB 3.37Å; D20-T22 WeakPolarHBondContact OD1-CG2 3.33Å; D20-T22 PolarHBondContact OD1-N 3.4Å; D20-T22 PolarHBondContact OD1-OG1 2.89Å; D20-T22 PolarHBondContact OD2-OG1 3.17Å; T22-V38 WeakPolarHBondContact O-CB 3.47Å; T22-V38 WeakPolarHBondContact O-CG2 3.42Å; T22-V38 PolarHBondContact O-N 3.45Å |
| 23 | E | 97.3 | Very high | 96.9 | Very high | 34 Ų | 34 | 33 Ų | 33 | 16% | 0.159 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 148.1 | 177.4 | -62.9 | -179.8 | 167 | 0 | 0 | 110.6 | F17 N18 L36 I49 W64 K85 | F17-E23 WeakPolarHBondContact CA-O 3.32Å; N18-E23 HydrophobicContact CB-CB 4.32Å; N18-E23 PolarHBondContact N-O 2.61Å; N18-E23 PolarHBondContact OD1-N 3.29Å; N18-E23 PolarHBondContact OD1-O 3.11Å; E23-L36 CarbonylContact C-O 3.55Å; E23-L36 WeakPolarHBondContact CA-O 3.35Å; E23-I49 HydrophobicContact CG-CD1 4.06Å; E23-W64 HydrophobicContact CB-CH2 3.71Å; E23-W64 HydrophobicContact CB-CZ3 4.1Å; E23-W64 WeakPolarHBondContact OE2-CH2 3.11Å; E23-K85 IonicContact OE1-NZ 3.6Å; E23-K85 PolarHBondContact OE1-NZ 3.4Å; E23-K85 IonicContact OE2-NZ 3.7Å |
| 24 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 125.1 | 179.6 | 175 | 64.9 | 0 | 0 | 0 | 109.8 | L7 H15 A16 F17 L35 L36 V38 F46 L355 | L7-L24 HydrophobicContact CD1-CD2 4.3Å; H15-L24 HydrophobicContact CB-CD1 3.99Å; A16-L24 WeakPolarHBondContact O-CD1 3.3Å; F17-L24 HydrophobicContact CD1-CB 4.27Å; F17-L24 HydrophobicContact CD1-CD1 4.09Å; F17-L24 HydrophobicContact CD2-CD1 3.87Å; F17-L24 HydrophobicContact CE1-CB 4.18Å; F17-L24 HydrophobicContact CE1-CD1 3.96Å; F17-L24 HydrophobicContact CE1-CG 4.47Å; F17-L24 HydrophobicContact CE2-CD1 3.71Å; F17-L24 HydrophobicContact CG-CD1 4.06Å; F17-L24 HydrophobicContact CZ-CD1 3.77Å; F17-L24 HydrophobicContact CZ-CD2 4.41Å; L24-L35 CarbonylContact O-C 3.49Å; L24-L35 WeakPolarHBondContact O-CA 3.33Å; L24-L36 HydrophobicContact CB-CB 4.47Å; L24-L36 HydrophobicContact CD2-CD1 4.41Å; L24-L36 HydrophobicContact CG-CD1 4.45Å; L24-L36 PolarHBondContact N-O 2.74Å; L24-L36 PolarHBondContact O-N 2.81Å; L24-V38 HydrophobicContact CB-CG2 4.22Å; L24-F46 HydrophobicContact CB-CE1 4.4Å; L24-F46 HydrophobicContact CD2-CD1 4.14Å; L24-F46 HydrophobicContact CD2-CE1 3.76Å; L24-L355 HydrophobicContact CD2-CD2 3.85Å |
| 25 | A | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 133.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | H15 A16 V33 Y34 L35 I62 W64 I71 | H15-A25 CarbonylContact C-O 3.54Å; H15-A25 VanDerWaalsContact CA-O 3.25Å; H15-A25 WeakPolarHBondContact CA-O 3.39Å; A16-A25 PolarHBondContact N-O 3.34Å; A16-A25 PolarHBondContact O-N 2.88Å; A25-V33 HydrophobicContact CB-CG1 4.37Å; A25-Y34 CarbonylContact C-O 3.45Å; A25-Y34 WeakPolarHBondContact CA-O 3.37Å; A25-L35 HydrophobicContact CB-CD2 3.65Å; A25-I62 HydrophobicContact CB-CG2 4.01Å; A25-W64 HydrophobicContact CB-CE3 3.55Å; A25-W64 HydrophobicContact CB-CZ3 3.79Å; A25-I71 HydrophobicContact CB-CD1 4.2Å |
| 26 | L | 98.1 | Very high | 96.9 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 125.1 | -173.6 | -177.1 | 68.1 | 0 | 0 | 0 | 110.3 | L7 L12 H15 V28 Y34 L36 V349 | L7-L26 HydrophobicContact CB-CD2 4.5Å; L7-L26 HydrophobicContact CD1-CD2 3.64Å; L12-L26 HydrophobicContact CB-CD1 4.3Å; L12-L26 HydrophobicContact CD1-CD1 4.29Å; L12-L26 HydrophobicContact CD2-CD1 4.35Å; L12-L26 HydrophobicContact CD2-CD2 4.02Å; L12-L26 HydrophobicContact CD2-CG 4.49Å; H15-L26 HydrophobicContact CB-CD1 3.92Å; L26-V28 HydrophobicContact CD2-CG1 4.06Å; L26-V28 HydrophobicContact CG-CG1 4.18Å; L26-Y34 PolarHBondContact N-O 3.09Å; L26-Y34 PolarHBondContact O-N 3.37Å; L26-L36 HydrophobicContact CB-CD1 3.7Å; L26-L36 HydrophobicContact CD2-CD1 3.96Å; L26-V349 HydrophobicContact CD1-CG1 4.4Å |
| 27 | S | 97.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 122.3 | 160.9 | 57.5 | 0 | 0 | 0 | 0 | 108.5 | V13 S14 I62 | V13-S27 PolarHBondContact N-O 2.89Å; S14-S27 WeakPolarHBondContact CB-OG 3.32Å; S14-S27 PolarHBondContact N-O 3.43Å; S14-S27 PolarHBondContact N-OG 3.4Å; S14-S27 PolarHBondContact O-N 2.98Å; S14-S27 PolarHBondContact O-OG 3Å; S27-I62 VanDerWaalsContact CB-CD1 3.48Å |
| 28 | V | 94.3 | Very high | 96.8 | Very high | 16 Ų | 16 | 36.8 Ų | 36.8 | 10% | 0.097 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 170 | 162.2 | -59.8 | 0 | 0 | 0 | 0 | 107.8 | L12 L26 T30 Y34 | L12-V28 HydrophobicContact CD2-CG1 3.74Å; L26-V28 HydrophobicContact CD2-CG1 4.06Å; L26-V28 HydrophobicContact CG-CG1 4.18Å; V28-T30 HydrophobicContact CG2-CG2 3.71Å; V28-T30 VanDerWaalsContact CG2-OG1 3.31Å; V28-T30 WeakPolarHBondContact CG2-OG1 3.5Å; V28-T30 PolarHBondContact O-N 3.19Å; V28-Y34 HydrophobicContact CG1-CD2 4.47Å; V28-Y34 HydrophobicContact CG2-CD2 3.74Å; V28-Y34 HydrophobicContact CG2-CE2 3.33Å |
| 29 | N | 93.5 | Very high | 96.7 | Very high | 82 Ų | 82 | 37.3 Ų | 37.3 | 44% | 0.439 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -66.6 | 56.3 | 179.5 | -168.9 | 44.6 | 0 | 0 | 0 | 113.5 | S11 V13 L58 | S11-N29 PolarHBondContact O-N 2.65Å; V13-N29 HydrophobicContact CG2-CB 4.28Å; N29-L58 VanDerWaalsContact C-CD2 3.45Å; N29-L58 WeakPolarHBondContact O-CD2 3.25Å |
| 30 | T | 96.4 | Very high | 96.4 | Very high | 37 Ų | 37 | 39 Ų | 39 | 23% | 0.227 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -144.5 | 177.7 | -177 | 73.2 | 0 | 0 | 0 | 0 | 109.8 | V28 D32 L58 V59 | V28-T30 HydrophobicContact CG2-CG2 3.71Å; V28-T30 VanDerWaalsContact CG2-OG1 3.31Å; V28-T30 WeakPolarHBondContact CG2-OG1 3.5Å; V28-T30 PolarHBondContact O-N 3.19Å; T30-D32 VanDerWaalsContact C-N 3.29Å; T30-D32 PolarHBondContact OG1-N 3.43Å; T30-L58 WeakPolarHBondContact O-CA 3.47Å; T30-V59 PolarHBondContact O-N 3.13Å |
| 31 | S | 97.4 | Very high | 96.3 | Very high | 41 Ų | 41 | 36.4 Ų | 36.4 | 29% | 0.287 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -77.3 | -9.2 | 173.2 | 52.4 | 0 | 0 | 0 | 0 | 114.8 | H55 A57 V59 | S31-H55 WeakPolarHBondContact CB-O 3.31Å; S31-H55 WeakPolarHBondContact O-CB 3.37Å; S31-A57 WeakPolarHBondContact CA-O 3.48Å; S31-V59 VanDerWaalsContact O-CG2 3.25Å; S31-V59 WeakPolarHBondContact O-CG2 3.49Å |
| 32 | D | 97.5 | Very high | 95.8 | Very high | 24 Ų | 24 | 39.3 Ų | 39.3 | 13% | 0.128 | 22% | 0.22 | C | C | . | . | P | Polyproline II helix | trans | -101.8 | 145.8 | -168.6 | -67.6 | 7.6 | 0 | 0 | 0 | 110.8 | T30 Y34 V51 R53 | T30-D32 VanDerWaalsContact C-N 3.29Å; T30-D32 PolarHBondContact OG1-N 3.43Å; D32-Y34 HydrophobicContact CB-CD2 4.47Å; D32-Y34 HydrophobicContact CB-CE2 3.85Å; D32-V51 HydrophobicContact CB-CG1 3.68Å; D32-V51 WeakPolarHBondContact OD2-CG1 3.43Å; D32-R53 WeakPolarHBondContact OD2-CG 3.37Å; D32-R53 IonicContact OD2-NE 3.13Å; D32-R53 PolarHBondContact OD2-NE 3.28Å; D32-R53 VanDerWaalsContact OD2-NE 3.13Å |
| 33 | V | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 122.8 | 167.1 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | A25 L35 V51 L52 V59 I62 | A25-V33 HydrophobicContact CB-CG1 4.37Å; V33-L35 HydrophobicContact CG1-CD2 4.44Å; V33-V51 CarbonylContact O-C 3.57Å; V33-V51 WeakPolarHBondContact O-CA 3.31Å; V33-L52 HydrophobicContact CB-CB 4.05Å; V33-L52 HydrophobicContact CB-CD1 4.15Å; V33-L52 HydrophobicContact CB-CG 4.27Å; V33-L52 HydrophobicContact CG1-CD1 4.11Å; V33-L52 PolarHBondContact N-O 3.06Å; V33-L52 VanDerWaalsContact N-O 3.13Å; V33-L52 PolarHBondContact O-N 3.17Å; V33-V59 HydrophobicContact CG2-CB 4.47Å; V33-V59 HydrophobicContact CG2-CG1 3.97Å; V33-V59 HydrophobicContact CG2-CG2 4Å; V33-I62 HydrophobicContact CB-CD1 4.2Å; V33-I62 HydrophobicContact CG1-CD1 3.5Å; V33-I62 VanDerWaalsContact CG1-CD1 3.5Å; V33-I62 HydrophobicContact CG1-CG1 4.34Å; V33-I62 HydrophobicContact CG2-CD1 3.8Å; V33-I62 HydrophobicContact CG2-CG1 4.16Å |
| 34 | Y | 98.2 | Very high | 95.1 | Very high | 65 Ų | 65 | 40.7 Ų | 40.7 | 26% | 0.255 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 131.8 | 179.3 | -67.9 | -100.3 | 0 | 0 | 0 | 109.7 | A25 L26 V28 D32 V48 V51 | A25-Y34 CarbonylContact C-O 3.45Å; A25-Y34 WeakPolarHBondContact CA-O 3.37Å; L26-Y34 PolarHBondContact N-O 3.09Å; L26-Y34 PolarHBondContact O-N 3.37Å; V28-Y34 HydrophobicContact CG1-CD2 4.47Å; V28-Y34 HydrophobicContact CG2-CD2 3.74Å; V28-Y34 HydrophobicContact CG2-CE2 3.33Å; D32-Y34 HydrophobicContact CB-CD2 4.47Å; D32-Y34 HydrophobicContact CB-CE2 3.85Å; Y34-V48 HydrophobicContact CD1-CG1 4.35Å; Y34-V48 HydrophobicContact CD1-CG2 4.36Å; Y34-V51 HydrophobicContact CD1-CG1 4.39Å; Y34-V51 HydrophobicContact CD1-CG2 3.86Å; Y34-V51 HydrophobicContact CE1-CG1 4.24Å; Y34-V51 HydrophobicContact CE1-CG2 3.97Å |
| 35 | L | 98.1 | Very high | 94.8 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 125.5 | 168.9 | -57 | -172.6 | 0 | 0 | 0 | 108.9 | L24 A25 V33 I49 D50 L52 W64 I71 W91 | L24-L35 CarbonylContact O-C 3.49Å; L24-L35 WeakPolarHBondContact O-CA 3.33Å; A25-L35 HydrophobicContact CB-CD2 3.65Å; V33-L35 HydrophobicContact CG1-CD2 4.44Å; L35-I49 PolarHBondContact O-N 3.11Å; L35-D50 HydrophobicContact CB-CB 4.21Å; L35-D50 HydrophobicContact CD1-CB 4.19Å; L35-D50 HydrophobicContact CG-CB 4.45Å; L35-D50 PolarHBondContact N-O 3.33Å; L35-D50 PolarHBondContact O-N 3.06Å; L35-L52 HydrophobicContact CD1-CD1 4.31Å; L35-L52 HydrophobicContact CD1-CD2 4.04Å; L35-L52 HydrophobicContact CD1-CG 4.31Å; L35-L52 HydrophobicContact CD2-CD1 4.26Å; L35-L52 HydrophobicContact CG-CD1 4.34Å; L35-L52 HydrophobicContact CG-CD2 4.43Å; L35-L52 HydrophobicContact CG-CG 4.24Å; L35-W64 HydrophobicContact CD2-CH2 4.48Å; L35-W64 HydrophobicContact CD2-CZ3 4.16Å; L35-I71 HydrophobicContact CD1-CD1 4.31Å; L35-I71 HydrophobicContact CD2-CD1 3.62Å; L35-W91 HydrophobicContact CD1-CD2 4.18Å; L35-W91 HydrophobicContact CD1-CG 4.06Å; L35-W91 HydrophobicContact CD1-CZ2 4.19Å |
| 36 | L | 98 | Very high | 94.7 | Very high | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 143.3 | -176.5 | -53.3 | 95.9 | 0 | 0 | 0 | 111.2 | E23 L24 L26 F46 Q47 V48 | E23-L36 CarbonylContact C-O 3.55Å; E23-L36 WeakPolarHBondContact CA-O 3.35Å; L24-L36 HydrophobicContact CB-CB 4.47Å; L24-L36 HydrophobicContact CD2-CD1 4.41Å; L24-L36 HydrophobicContact CG-CD1 4.45Å; L24-L36 PolarHBondContact N-O 2.74Å; L24-L36 PolarHBondContact O-N 2.81Å; L26-L36 HydrophobicContact CB-CD1 3.7Å; L26-L36 HydrophobicContact CD2-CD1 3.96Å; L36-F46 HydrophobicContact CB-CB 4.38Å; L36-F46 HydrophobicContact CB-CD1 4.1Å; L36-F46 HydrophobicContact CD2-CB 3.92Å; L36-Q47 CarbonylContact C-O 3.59Å; L36-Q47 WeakPolarHBondContact CA-O 3.44Å; L36-V48 HydrophobicContact CD2-CG2 4.35Å |
| 37 | S | 97.3 | Very high | 94.6 | Very high | 33 Ų | 33 | 58.1 Ų | 58.1 | 23% | 0.231 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 136.5 | 164.7 | 57.8 | 0 | 0 | 0 | 0 | 109.9 | F46 Q47 I49 | S37-F46 WeakPolarHBondContact O-CA 3.24Å; S37-F46 WeakPolarHBondContact O-CD1 3.47Å; S37-Q47 PolarHBondContact N-O 3.41Å; S37-Q47 PolarHBondContact O-N 2.92Å; S37-Q47 WeakPolarHBondContact OG-CB 3.15Å; S37-Q47 PolarHBondContact OG-O 2.88Å; S37-I49 VanDerWaalsContact N-CD1 3.31Å |
| 38 | V | 96.7 | Very high | 94.6 | Very high | 33 Ų | 33 | 62.1 Ų | 62.1 | 20% | 0.2 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -86.2 | 126.5 | 173.7 | -176.1 | 0 | 0 | 0 | 0 | 108.2 | F17 G21 T22 L24 F46 | F17-V38 HydrophobicContact CD1-CG2 3.95Å; F17-V38 HydrophobicContact CE1-CG2 3.74Å; G21-V38 WeakPolarHBondContact O-CB 3.46Å; G21-V38 VanDerWaalsContact O-CG2 3.28Å; G21-V38 WeakPolarHBondContact O-CG2 3.35Å; T22-V38 WeakPolarHBondContact O-CB 3.47Å; T22-V38 WeakPolarHBondContact O-CG2 3.42Å; T22-V38 PolarHBondContact O-N 3.45Å; L24-V38 HydrophobicContact CB-CG2 4.22Å; V38-F46 HydrophobicContact CB-CE1 4.26Å; V38-F46 HydrophobicContact CG1-CE1 4.22Å; V38-F46 HydrophobicContact CG1-CZ 4.14Å; V38-F46 HydrophobicContact CG2-CE1 3.87Å |
| 39 | P | 95.5 | Very high | 94.7 | Very high | 30 Ų | 30 | 65.8 Ų | 65.8 | 20% | 0.195 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 141 | -179.8 | 27.8 | -33.8 | 0 | 0 | 0 | 111.8 | S41 F46 | P39-S41 VanDerWaalsContact C-N 3.27Å; P39-S41 PolarHBondContact O-N 2.85Å; P39-F46 HydrophobicContact CG-CD2 4.12Å; P39-F46 HydrophobicContact CG-CE2 4.05Å |
| 40 | E | 90.9 | Very high | 94.8 | Very high | 206 Ų | 206 | 64.6 Ų | 64.6 | 96% | 0.963 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -65.2 | -31.4 | 174.9 | -64.1 | -179.1 | 175.4 | 0 | 0 | 112.9 | ||
| 41 | S | 90.2 | Very high | 94.9 | Very high | 57 Ų | 57 | 64.2 Ų | 64.2 | 40% | 0.399 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -97.5 | 139.3 | 178.4 | 175.8 | 0 | 0 | 0 | 0 | 111.3 | P39 S43 G44 | P39-S41 VanDerWaalsContact C-N 3.27Å; P39-S41 PolarHBondContact O-N 2.85Å; S41-S43 PolarHBondContact O-N 3.24Å; S41-S43 VanDerWaalsContact O-N 3.12Å; S41-S43 PolarHBondContact OG-N 3.24Å; S41-S43 PolarHBondContact OG-OG 3.34Å; S41-S43 VanDerWaalsContact OG-OG 3.06Å; S41-G44 WeakPolarHBondContact O-CA 3.35Å; S41-G44 PolarHBondContact O-N 3.11Å |
| 42 | P | 84.7 | Confident | 94.9 | Very high | 81 Ų | 81 | 62.5 Ų | 62.5 | 53% | 0.526 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -31.2 | 170.7 | -32.1 | 38.8 | 0 | 0 | 0 | 115.3 | I3 H5 G44 | I3-P42 HydrophobicContact CD1-CB 3.74Å; I3-P42 HydrophobicContact CD1-CG 4.16Å; I3-P42 HydrophobicContact CG1-CB 4.47Å; H5-P42 PolarHBondContact CE1-O 2.95Å; P42-G44 VanDerWaalsContact C-N 3.34Å |
| 43 | S | 84.9 | Confident | 94.9 | Very high | 108 Ų | 108 | 69.4 Ų | 69.4 | 76% | 0.755 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -3.6 | 177.4 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | S41 | S41-S43 PolarHBondContact O-N 3.24Å; S41-S43 VanDerWaalsContact O-N 3.12Å; S41-S43 PolarHBondContact OG-N 3.24Å; S41-S43 PolarHBondContact OG-OG 3.34Å; S41-S43 VanDerWaalsContact OG-OG 3.06Å |
| 44 | G | 92.3 | Very high | 94.9 | Very high | 23 Ų | 23 | 74 Ų | 74 | 24% | 0.237 | 38% | 0.379 | C | S | . | . | trans | -70.2 | 169.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | H5 S41 P42 | H5-G44 PolarHBondContact ND1-O 3.29Å; S41-G44 WeakPolarHBondContact O-CA 3.35Å; S41-G44 PolarHBondContact O-N 3.11Å; P42-G44 VanDerWaalsContact C-N 3.34Å | ||
| 45 | R | 93.1 | Very high | 94.9 | Very high | 214 Ų | 214 | 71.4 Ų | 71.4 | 81% | 0.808 | 37% | 0.369 | S | S | * | . | trans | -111.2 | 138.7 | 179.4 | -64.5 | -175.1 | -179.6 | -177 | 0.2 | 109.8 | ||||
| 46 | F | 96 | Very high | 94.9 | Very high | 25 Ų | 25 | 76.2 Ų | 76.2 | 11% | 0.11 | 40% | 0.403 | C | S | . | . | trans | -63.7 | 142 | 165.4 | -73.2 | -106.3 | 0 | 0 | 0 | 109.3 | H5 L7 L24 L36 S37 V38 P39 L355 | H5-F46 HydrophobicContact CB-CD2 3.99Å; H5-F46 HydrophobicContact CB-CE2 3.84Å; H5-F46 AromaticContact CD2-CE2 3.69Å; H5-F46 AromaticContact CE1-CE2 4Å; H5-F46 AromaticContact CG-CD2 3.94Å; H5-F46 AromaticContact CG-CE2 3.49Å; H5-F46 VanDerWaalsContact CG-CE2 3.49Å; H5-F46 AromaticContact ND1-CD2 3.97Å; H5-F46 AromaticContact ND1-CE2 3.71Å; H5-F46 AromaticContact NE2-CE2 4Å; L7-F46 HydrophobicContact CD2-CB 3.69Å; L7-F46 HydrophobicContact CD2-CD1 4.29Å; L7-F46 HydrophobicContact CD2-CD2 3.65Å; L7-F46 HydrophobicContact CD2-CE2 4.4Å; L7-F46 HydrophobicContact CD2-CG 3.61Å; L24-F46 HydrophobicContact CB-CE1 4.4Å; L24-F46 HydrophobicContact CD2-CD1 4.14Å; L24-F46 HydrophobicContact CD2-CE1 3.76Å; L36-F46 HydrophobicContact CB-CB 4.38Å; L36-F46 HydrophobicContact CB-CD1 4.1Å; L36-F46 HydrophobicContact CD2-CB 3.92Å; S37-F46 WeakPolarHBondContact O-CA 3.24Å; S37-F46 WeakPolarHBondContact O-CD1 3.47Å; V38-F46 HydrophobicContact CB-CE1 4.26Å; V38-F46 HydrophobicContact CG1-CE1 4.22Å; V38-F46 HydrophobicContact CG1-CZ 4.14Å; V38-F46 HydrophobicContact CG2-CE1 3.87Å; P39-F46 HydrophobicContact CG-CD2 4.12Å; P39-F46 HydrophobicContact CG-CE2 4.05Å; F46-L355 HydrophobicContact CE1-CD2 3.76Å; F46-L355 HydrophobicContact CE2-CD2 3.95Å; F46-L355 HydrophobicContact CZ-CD2 3.35Å | ||
| 47 | Q | 96.2 | Very high | 94.9 | Very high | 131 Ų | 131 | 77.2 Ų | 77.2 | 61% | 0.612 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.8 | 177.2 | -53.2 | 178.4 | 20.6 | 0 | 0 | 109.2 | L36 S37 I49 | L36-Q47 CarbonylContact C-O 3.59Å; L36-Q47 WeakPolarHBondContact CA-O 3.44Å; S37-Q47 PolarHBondContact N-O 3.41Å; S37-Q47 PolarHBondContact O-N 2.92Å; S37-Q47 WeakPolarHBondContact OG-CB 3.15Å; S37-Q47 PolarHBondContact OG-O 2.88Å; Q47-I49 PolarHBondContact O-N 3.16Å |
| 48 | V | 96.8 | Very high | 94.9 | Very high | 85 Ų | 85 | 79.4 Ų | 79.4 | 52% | 0.515 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 120.9 | 175.1 | 179.9 | 0 | 0 | 0 | 0 | 108.6 | Y34 L36 V51 | Y34-V48 HydrophobicContact CD1-CG1 4.35Å; Y34-V48 HydrophobicContact CD1-CG2 4.36Å; L36-V48 HydrophobicContact CD2-CG2 4.35Å; V48-V51 HydrophobicContact CG1-CG2 3.81Å |
| 49 | I | 96.4 | Very high | 95 | Very high | 92 Ų | 92 | 77.9 Ų | 77.9 | 47% | 0.472 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -42.4 | 175 | -58.3 | 164.5 | 0 | 0 | 0 | 109.8 | E23 L35 S37 Q47 | E23-I49 HydrophobicContact CG-CD1 4.06Å; L35-I49 PolarHBondContact O-N 3.11Å; S37-I49 VanDerWaalsContact N-CD1 3.31Å; Q47-I49 PolarHBondContact O-N 3.16Å |
| 50 | D | 96.7 | Very high | 95.1 | Very high | 57 Ų | 57 | 78.2 Ų | 78.2 | 31% | 0.305 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.1 | 161.8 | -175.9 | -157.4 | -0.6 | 0 | 0 | 0 | 110.9 | L35 | L35-D50 HydrophobicContact CB-CB 4.21Å; L35-D50 HydrophobicContact CD1-CB 4.19Å; L35-D50 HydrophobicContact CG-CB 4.45Å; L35-D50 PolarHBondContact N-O 3.33Å; L35-D50 PolarHBondContact O-N 3.06Å |
| 51 | V | 97.6 | Very high | 95.5 | Very high | 29 Ų | 29 | 68.8 Ų | 68.8 | 18% | 0.176 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 113.6 | 175.5 | -173 | 0 | 0 | 0 | 0 | 108.8 | D32 V33 Y34 V48 R53 | D32-V51 HydrophobicContact CB-CG1 3.68Å; D32-V51 WeakPolarHBondContact OD2-CG1 3.43Å; V33-V51 CarbonylContact O-C 3.57Å; V33-V51 WeakPolarHBondContact O-CA 3.31Å; Y34-V51 HydrophobicContact CD1-CG1 4.39Å; Y34-V51 HydrophobicContact CD1-CG2 3.86Å; Y34-V51 HydrophobicContact CE1-CG1 4.24Å; Y34-V51 HydrophobicContact CE1-CG2 3.97Å; V48-V51 HydrophobicContact CG1-CG2 3.81Å; V51-R53 HydrophobicContact CG1-CG 3.91Å; V51-R53 PolarHBondContact O-N 2.82Å |
| 52 | L | 98.2 | Very high | 95.9 | Very high | 6 Ų | 6 | 66.1 Ų | 66.1 | 3% | 0.031 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 110.8 | -179 | -43.4 | -179.2 | 0 | 0 | 0 | 109.4 | V33 L35 I71 W83 W91 | V33-L52 HydrophobicContact CB-CB 4.05Å; V33-L52 HydrophobicContact CB-CD1 4.15Å; V33-L52 HydrophobicContact CB-CG 4.27Å; V33-L52 HydrophobicContact CG1-CD1 4.11Å; V33-L52 PolarHBondContact N-O 3.06Å; V33-L52 VanDerWaalsContact N-O 3.13Å; V33-L52 PolarHBondContact O-N 3.17Å; L35-L52 HydrophobicContact CD1-CD1 4.31Å; L35-L52 HydrophobicContact CD1-CD2 4.04Å; L35-L52 HydrophobicContact CD1-CG 4.31Å; L35-L52 HydrophobicContact CD2-CD1 4.26Å; L35-L52 HydrophobicContact CG-CD1 4.34Å; L35-L52 HydrophobicContact CG-CD2 4.43Å; L35-L52 HydrophobicContact CG-CG 4.24Å; L52-I71 HydrophobicContact CD1-CD1 4.45Å; L52-W83 HydrophobicContact CB-CD2 4.28Å; L52-W83 HydrophobicContact CB-CE3 4Å; L52-W83 HydrophobicContact CB-CH2 3.57Å; L52-W83 HydrophobicContact CB-CZ2 3.9Å; L52-W83 HydrophobicContact CB-CZ3 3.64Å; L52-W83 HydrophobicContact CD1-CB 4.41Å; L52-W83 HydrophobicContact CD1-CD2 3.71Å; L52-W83 HydrophobicContact CD1-CE3 3.98Å; L52-W83 HydrophobicContact CD1-CG 3.9Å; L52-W83 HydrophobicContact CD1-CZ3 4.48Å; L52-W83 HydrophobicContact CD2-CE3 4.23Å; L52-W83 HydrophobicContact CD2-CZ3 4.41Å; L52-W83 HydrophobicContact CG-CD2 4.48Å; L52-W83 HydrophobicContact CG-CE3 4.31Å; L52-W83 HydrophobicContact CG-CZ3 4.4Å; L52-W91 HydrophobicContact CD2-CB 3.5Å; L52-W91 VanDerWaalsContact CD2-CB 3.5Å; L52-W91 HydrophobicContact CD2-CG 3.84Å |
| 53 | R | 97.6 | Very high | 96.6 | Very high | 168 Ų | 168 | 63.2 Ų | 63.2 | 63% | 0.634 | 33% | 0.332 | S | S | * | . | trans | -118.2 | 85.9 | -171.1 | -63.3 | -170.9 | 176.8 | 132.8 | 2.8 | 112.2 | D32 V51 | D32-R53 WeakPolarHBondContact OD2-CG 3.37Å; D32-R53 IonicContact OD2-NE 3.13Å; D32-R53 PolarHBondContact OD2-NE 3.28Å; D32-R53 VanDerWaalsContact OD2-NE 3.13Å; V51-R53 HydrophobicContact CG1-CG 3.91Å; V51-R53 PolarHBondContact O-N 2.82Å | ||
| 54 | E | 97.8 | Very high | 97.2 | Very high | 97 Ų | 97 | 58.4 Ų | 58.4 | 45% | 0.453 | 30% | 0.297 | S | S | . | . | trans | -134.7 | -34.5 | 174.8 | -72 | -67.8 | 147.5 | 0 | 0 | 113 | Y81 W83 P93 | E54-Y81 HydrophobicContact CB-CD2 4.38Å; E54-Y81 HydrophobicContact CB-CE1 4.21Å; E54-Y81 HydrophobicContact CB-CE2 4.07Å; E54-W83 HydrophobicContact CB-CH2 3.56Å; E54-W83 HydrophobicContact CB-CZ2 4.16Å; E54-W83 HydrophobicContact CB-CZ3 4.46Å; E54-W83 HydrophobicContact CG-CH2 3.37Å; E54-W83 HydrophobicContact CG-CZ2 4.35Å; E54-W83 HydrophobicContact CG-CZ3 3.79Å; E54-P93 HydrophobicContact CG-CB 3.8Å; E54-P93 HydrophobicContact CG-CG 3.65Å | ||
| 55 | H | 97.9 | Very high | 97.5 | Very high | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.046 | 29% | 0.286 | C | S | . | . | trans | -64.5 | 145.3 | 177.8 | -76.3 | -64.7 | 0 | 0 | 0 | 111 | S31 V59 S73 S75 D77 Y81 | S31-H55 WeakPolarHBondContact CB-O 3.31Å; S31-H55 WeakPolarHBondContact O-CB 3.37Å; H55-V59 HydrophobicContact CB-CG2 4.12Å; H55-S73 PolarHBondContact CD2-OG 3.41Å; H55-S73 PolarHBondContact NE2-OG 3.48Å; H55-S75 WeakPolarHBondContact CE1-CB 3.34Å; H55-S75 WeakPolarHBondContact ND1-CB 3.41Å; H55-D77 VanDerWaalsContact CA-OD2 3.27Å; H55-D77 WeakPolarHBondContact CA-OD2 3.49Å; H55-D77 WeakPolarHBondContact CB-OD2 3.36Å; H55-D77 IonicContact CE1-OD1 3.61Å; H55-D77 IonicContact CG-OD2 3.24Å; H55-D77 IonicContact ND1-OD1 3.46Å; H55-D77 PolarHBondContact ND1-OD1 3.16Å; H55-D77 IonicContact ND1-OD2 3.46Å; H55-D77 PolarHBondContact ND1-OD2 3.21Å; H55-Y81 AromaticContact CE1-CD2 3.39Å; H55-Y81 WeakPolarHBondContact CE1-CD2 3.4Å; H55-Y81 AromaticContact CE1-CE2 3.8Å; H55-Y81 AromaticContact ND1-CD2 3.73Å; H55-Y81 AromaticContact ND1-CE2 3.69Å; H55-Y81 AromaticContact NE2-CD2 3.63Å | ||
| 56 | S | 97.7 | Very high | 97.6 | Very high | 104 Ų | 104 | 49.9 Ų | 49.9 | 73% | 0.727 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -104.7 | -0.1 | -179.6 | 57.5 | 0 | 0 | 0 | 0 | 113.4 | D77 | S56-D77 PolarHBondContact N-OD2 3.02Å; S56-D77 WeakPolarHBondContact OG-CB 3.38Å |
| 57 | A | 98.1 | Very high | 97.6 | Very high | 33 Ų | 33 | 54.3 Ų | 54.3 | 27% | 0.273 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -147.2 | 176.6 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | S31 V59 S75 A76 D77 | S31-A57 WeakPolarHBondContact CA-O 3.48Å; A57-V59 PolarHBondContact O-N 3.47Å; A57-S75 VanDerWaalsContact C-OG 3.27Å; A57-S75 PolarHBondContact O-OG 2.87Å; A57-A76 HydrophobicContact CB-CB 4.01Å; A57-D77 HydrophobicContact CB-CB 3.91Å |
| 58 | L | 98.1 | Very high | 97.6 | Very high | 78 Ų | 78 | 51.1 Ų | 51.1 | 41% | 0.408 | 28% | 0.276 | S | S | . | . | trans | -48.3 | 126.4 | -175.2 | -60.5 | 177.9 | 0 | 0 | 0 | 113.1 | N29 T30 T60 S75 A76 | N29-L58 VanDerWaalsContact C-CD2 3.45Å; N29-L58 WeakPolarHBondContact O-CD2 3.25Å; T30-L58 WeakPolarHBondContact O-CA 3.47Å; L58-T60 PolarHBondContact O-N 3.31Å; L58-S75 VanDerWaalsContact O-CA 3.31Å; L58-S75 WeakPolarHBondContact O-CA 3.28Å; L58-S75 WeakPolarHBondContact O-CB 3.11Å; L58-S75 PolarHBondContact O-OG 3.4Å; L58-A76 PolarHBondContact O-N 3.29Å | ||
| 59 | V | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 115.1 | 170.8 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | T30 S31 V33 H55 A57 I62 C74 | T30-V59 PolarHBondContact O-N 3.13Å; S31-V59 VanDerWaalsContact O-CG2 3.25Å; S31-V59 WeakPolarHBondContact O-CG2 3.49Å; V33-V59 HydrophobicContact CG2-CB 4.47Å; V33-V59 HydrophobicContact CG2-CG1 3.97Å; V33-V59 HydrophobicContact CG2-CG2 4Å; H55-V59 HydrophobicContact CB-CG2 4.12Å; A57-V59 PolarHBondContact O-N 3.47Å; V59-I62 HydrophobicContact CG1-CD1 4.17Å; V59-I62 HydrophobicContact CG1-CG1 3.88Å; V59-C74 WeakPolarHBondContact CG1-O 3.38Å |
| 60 | T | 98.3 | Very high | 97.6 | Very high | 38 Ų | 38 | 47.6 Ų | 47.6 | 23% | 0.233 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | -27.1 | -171.9 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | V13 L58 C74 A76 A104 V105 | V13-T60 WeakPolarHBondContact CG1-O 3.36Å; L58-T60 PolarHBondContact O-N 3.31Å; T60-C74 PolarHBondContact N-O 2.83Å; T60-C74 PolarHBondContact OG1-O 2.84Å; T60-C74 PolarHBondContact OG1-SG 2.87Å; T60-A76 HydrophobicContact CG2-CB 4.47Å; T60-A104 PolarHBondContact OG1-O 2.86Å; T60-V105 WeakPolarHBondContact CB-O 3.35Å; T60-V105 PolarHBondContact OG1-O 2.9Å |
| 61 | S | 98.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 44.9 Ų | 44.9 | 6% | 0.056 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 147.5 | -179.3 | -176.9 | 0 | 0 | 0 | 0 | 111.4 | C74 V107 | S61-C74 PolarHBondContact O-N 3.14Å; S61-V107 WeakPolarHBondContact O-CG1 3.27Å; S61-V107 PolarHBondContact OG-N 2.83Å; S61-V107 VanDerWaalsContact OG-N 3.13Å; S61-V107 PolarHBondContact OG-O 3.34Å |
| 62 | I | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 150.1 | 176.5 | -66.5 | 157.3 | 0 | 0 | 0 | 109.3 | S14 A16 A25 S27 V33 V59 I71 V72 R334 | S14-I62 PolarHBondContact OG-N 2.79Å; A16-I62 HydrophobicContact CB-CG2 4.46Å; A25-I62 HydrophobicContact CB-CG2 4.01Å; S27-I62 VanDerWaalsContact CB-CD1 3.48Å; V33-I62 HydrophobicContact CB-CD1 4.2Å; V33-I62 HydrophobicContact CG1-CD1 3.5Å; V33-I62 VanDerWaalsContact CG1-CD1 3.5Å; V33-I62 HydrophobicContact CG1-CG1 4.34Å; V33-I62 HydrophobicContact CG2-CD1 3.8Å; V33-I62 HydrophobicContact CG2-CG1 4.16Å; V59-I62 HydrophobicContact CG1-CD1 4.17Å; V59-I62 HydrophobicContact CG1-CG1 3.88Å; I62-I71 HydrophobicContact CG2-CG2 3.71Å; I62-V72 CarbonylContact C-O 3.55Å; I62-V72 VanDerWaalsContact CA-O 3.27Å; I62-V72 WeakPolarHBondContact CA-O 3.34Å; I62-R334 PolarHBondContact O-NH2 3.4Å |
| 63 | D | 98.7 | Very high | 97.8 | Very high | 20 Ų | 20 | 43.2 Ų | 43.2 | 11% | 0.107 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 145.4 | 163.8 | -157.4 | 21.6 | 0 | 0 | 0 | 111.7 | I71 V72 K108 W109 R334 | D63-I71 CarbonylContact O-C 3.51Å; D63-I71 WeakPolarHBondContact O-CA 3.49Å; D63-V72 HydrophobicContact CB-CG1 3.8Å; D63-V72 PolarHBondContact N-O 2.98Å; D63-V72 PolarHBondContact O-N 2.8Å; D63-K108 WeakPolarHBondContact OD2-CA 3.29Å; D63-W109 PolarHBondContact O-NE1 3.13Å; D63-W109 PolarHBondContact OD2-N 2.98Å; D63-R334 IonicContact OD1-CZ 3.85Å; D63-R334 IonicContact OD1-NH1 3.02Å; D63-R334 PolarHBondContact OD1-NH1 3.49Å; D63-R334 IonicContact OD1-NH2 3.21Å |
| 64 | W | 98.6 | Very high | 97.8 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 3% | 0.03 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 118.6 | -179.6 | -160.6 | -32.4 | 0 | 0 | 0 | 108.9 | A16 N18 E23 A25 L35 P66 N69 I71 W91 | A16-W64 HydrophobicContact CB-CB 3.72Å; N18-W64 HydrophobicContact CB-CD2 4.03Å; N18-W64 HydrophobicContact CB-CE3 4.31Å; N18-W64 HydrophobicContact CB-CH2 4.02Å; N18-W64 HydrophobicContact CB-CZ2 3.68Å; N18-W64 HydrophobicContact CB-CZ3 4.31Å; E23-W64 HydrophobicContact CB-CH2 3.71Å; E23-W64 HydrophobicContact CB-CZ3 4.1Å; E23-W64 WeakPolarHBondContact OE2-CH2 3.11Å; A25-W64 HydrophobicContact CB-CE3 3.55Å; A25-W64 HydrophobicContact CB-CZ3 3.79Å; L35-W64 HydrophobicContact CD2-CH2 4.48Å; L35-W64 HydrophobicContact CD2-CZ3 4.16Å; W64-P66 VanDerWaalsContact O-CD 3.22Å; W64-P66 WeakPolarHBondContact O-CD 3.44Å; W64-N69 PolarHBondContact NE1-OD1 2.94Å; W64-I71 HydrophobicContact CB-CG1 4.41Å; W64-I71 HydrophobicContact CD2-CD1 3.87Å; W64-I71 HydrophobicContact CD2-CG1 3.54Å; W64-I71 HydrophobicContact CE3-CD1 3.86Å; W64-I71 HydrophobicContact CE3-CG1 3.99Å; W64-I71 HydrophobicContact CG-CG1 3.75Å; W64-I71 HydrophobicContact CH2-CD1 3.94Å; W64-I71 HydrophobicContact CZ2-CD1 3.95Å; W64-I71 HydrophobicContact CZ2-CG1 4.23Å; W64-I71 HydrophobicContact CZ3-CD1 3.89Å; W64-I71 HydrophobicContact CZ3-CG1 4.49Å; W64-W91 AromaticContact CE2-CH2 4Å; W64-W91 HydrophobicContact CH2-CH2 4.4Å; W64-W91 HydrophobicContact CH2-CZ2 4.03Å; W64-W91 AromaticContact CZ2-CH2 3.61Å; W64-W91 HydrophobicContact CZ2-CH2 3.61Å; W64-W91 AromaticContact CZ2-CZ2 3.6Å; W64-W91 HydrophobicContact CZ2-CZ2 3.6Å |
| 65 | A | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 108.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | Q67 T68 N69 R70 W109 E113 | A65-Q67 PolarHBondContact O-N 3.43Å; A65-T68 VanDerWaalsContact CB-OG1 3.31Å; A65-T68 WeakPolarHBondContact CB-OG1 3.36Å; A65-N69 VanDerWaalsContact O-CA 3.24Å; A65-N69 WeakPolarHBondContact O-CA 3.44Å; A65-N69 PolarHBondContact O-N 2.79Å; A65-R70 HydrophobicContact CB-CB 4.26Å; A65-R70 VanDerWaalsContact CB-O 3.3Å; A65-R70 WeakPolarHBondContact CB-O 3.12Å; A65-R70 PolarHBondContact N-O 3.05Å; A65-W109 HydrophobicContact CB-CD2 3.96Å; A65-W109 HydrophobicContact CB-CG 3.92Å; A65-E113 HydrophobicContact CB-CB 4.2Å; A65-E113 HydrophobicContact CB-CG 3.86Å; A65-E113 VanDerWaalsContact CB-OE2 3.25Å; A65-E113 WeakPolarHBondContact CB-OE2 3.36Å |
| 66 | P | 94.8 | Very high | 97.9 | Very high | 57 Ų | 57 | 32.1 Ų | 32.1 | 37% | 0.37 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -29.9 | -171.4 | 25.8 | -36.1 | 0 | 0 | 0 | 114.8 | R19 W64 E113 | R19-P66 HydrophobicContact CB-CB 3.75Å; R19-P66 WeakPolarHBondContact CB-O 3.38Å; R19-P66 WeakPolarHBondContact CD-O 3.25Å; R19-P66 HydrophobicContact CG-CB 4.15Å; W64-P66 VanDerWaalsContact O-CD 3.22Å; W64-P66 WeakPolarHBondContact O-CD 3.44Å; P66-E113 WeakPolarHBondContact CD-OE1 3.48Å; P66-E113 VanDerWaalsContact CG-OE1 3.31Å; P66-E113 WeakPolarHBondContact CG-OE1 3.46Å; P66-E113 VanDerWaalsContact N-OE1 3.11Å |
| 67 | Q | 95.6 | Very high | 97.9 | Very high | 119 Ų | 119 | 27.9 Ų | 27.9 | 56% | 0.556 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -46.3 | -177.2 | -56.3 | -57.5 | -45 | 0 | 0 | 112 | R19 A65 E113 | R19-Q67 VanDerWaalsContact CZ-OE1 3.27Å; A65-Q67 PolarHBondContact O-N 3.43Å; Q67-E113 WeakPolarHBondContact CB-OE1 3.35Å; Q67-E113 WeakPolarHBondContact CG-OE1 3.29Å; Q67-E113 PolarHBondContact N-OE1 3.31Å; Q67-E113 PolarHBondContact N-OE2 3.35Å |
| 68 | T | 96.4 | Very high | 97.8 | Very high | 63 Ų | 63 | 32.7 Ų | 32.7 | 39% | 0.387 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | -10.9 | -177.9 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | A65 R70 E113 | A65-T68 VanDerWaalsContact CB-OG1 3.31Å; A65-T68 WeakPolarHBondContact CB-OG1 3.36Å; T68-R70 VanDerWaalsContact C-N 3.28Å; T68-R70 PolarHBondContact O-N 3.06Å; T68-R70 PolarHBondContact OG1-NE 3.02Å; T68-R70 VanDerWaalsContact OG1-NE 3.12Å; T68-E113 VanDerWaalsContact CB-OE2 3.27Å; T68-E113 WeakPolarHBondContact CB-OE2 3.09Å; T68-E113 HydrophobicContact CG2-CB 4.11Å; T68-E113 VanDerWaalsContact CG2-OE2 3.28Å; T68-E113 WeakPolarHBondContact CG2-OE2 3.35Å; T68-E113 PolarHBondContact N-OE2 3.47Å; T68-E113 PolarHBondContact OG1-OE2 2.88Å |
| 69 | N | 96.9 | Very high | 97.7 | Very high | 56 Ų | 56 | 31.5 Ų | 31.5 | 30% | 0.299 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 42.1 | -178 | -165.1 | 34.6 | 0 | 0 | 0 | 113.1 | W64 A65 W91 | W64-N69 PolarHBondContact NE1-OD1 2.94Å; A65-N69 VanDerWaalsContact O-CA 3.24Å; A65-N69 WeakPolarHBondContact O-CA 3.44Å; A65-N69 PolarHBondContact O-N 2.79Å; N69-W91 WeakPolarHBondContact O-CH2 3.08Å; N69-W91 WeakPolarHBondContact O-CZ3 3.25Å |
| 70 | R | 97.8 | Very high | 97.7 | Very high | 48 Ų | 48 | 31.4 Ų | 31.4 | 18% | 0.181 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 138 | 177.9 | -62.7 | -173.7 | -70.3 | -166.4 | -0.9 | 110.3 | A65 T68 V82 W83 N84 W109 E113 | A65-R70 HydrophobicContact CB-CB 4.26Å; A65-R70 VanDerWaalsContact CB-O 3.3Å; A65-R70 WeakPolarHBondContact CB-O 3.12Å; A65-R70 PolarHBondContact N-O 3.05Å; T68-R70 VanDerWaalsContact C-N 3.28Å; T68-R70 PolarHBondContact O-N 3.06Å; T68-R70 PolarHBondContact OG1-NE 3.02Å; T68-R70 VanDerWaalsContact OG1-NE 3.12Å; R70-V82 HydrophobicContact CB-CG1 4.28Å; R70-W83 WeakPolarHBondContact CA-O 3.32Å; R70-N84 WeakPolarHBondContact CD-OD1 3.32Å; R70-N84 WeakPolarHBondContact CG-OD1 3.36Å; R70-W109 HydrophobicContact CB-CH2 4.36Å; R70-W109 HydrophobicContact CB-CZ2 3.86Å; R70-W109 PolarHBondContact O-NE1 3.23Å; R70-E113 PolarHBondContact NH2-O 2.86Å |
| 71 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139 | 172.9 | -59 | 168.7 | 0 | 0 | 0 | 107.4 | A25 L35 L52 I62 D63 W64 V82 W83 W91 | A25-I71 HydrophobicContact CB-CD1 4.2Å; L35-I71 HydrophobicContact CD1-CD1 4.31Å; L35-I71 HydrophobicContact CD2-CD1 3.62Å; L52-I71 HydrophobicContact CD1-CD1 4.45Å; I62-I71 HydrophobicContact CG2-CG2 3.71Å; D63-I71 CarbonylContact O-C 3.51Å; D63-I71 WeakPolarHBondContact O-CA 3.49Å; W64-I71 HydrophobicContact CB-CG1 4.41Å; W64-I71 HydrophobicContact CD2-CD1 3.87Å; W64-I71 HydrophobicContact CD2-CG1 3.54Å; W64-I71 HydrophobicContact CE3-CD1 3.86Å; W64-I71 HydrophobicContact CE3-CG1 3.99Å; W64-I71 HydrophobicContact CG-CG1 3.75Å; W64-I71 HydrophobicContact CH2-CD1 3.94Å; W64-I71 HydrophobicContact CZ2-CD1 3.95Å; W64-I71 HydrophobicContact CZ2-CG1 4.23Å; W64-I71 HydrophobicContact CZ3-CD1 3.89Å; W64-I71 HydrophobicContact CZ3-CG1 4.49Å; I71-V82 CarbonylContact O-C 3.51Å; I71-V82 WeakPolarHBondContact O-CA 3.47Å; I71-W83 HydrophobicContact CB-CB 4.13Å; I71-W83 HydrophobicContact CB-CG 4.42Å; I71-W83 PolarHBondContact N-O 2.65Å; I71-W83 VanDerWaalsContact N-O 3.13Å; I71-W83 PolarHBondContact O-N 2.83Å; I71-W91 HydrophobicContact CB-CZ3 4.41Å; I71-W91 HydrophobicContact CD1-CD2 4.4Å; I71-W91 HydrophobicContact CD1-CE3 4.17Å; I71-W91 HydrophobicContact CD1-CH2 3.59Å; I71-W91 HydrophobicContact CD1-CZ2 3.84Å; I71-W91 HydrophobicContact CD1-CZ3 3.77Å; I71-W91 HydrophobicContact CG1-CH2 3.82Å; I71-W91 HydrophobicContact CG1-CZ3 3.82Å |
| 72 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 134.8 | 165.3 | 68.2 | 0 | 0 | 0 | 0 | 108.7 | I62 D63 Y81 V82 V107 W109 F116 | I62-V72 CarbonylContact C-O 3.55Å; I62-V72 VanDerWaalsContact CA-O 3.27Å; I62-V72 WeakPolarHBondContact CA-O 3.34Å; D63-V72 HydrophobicContact CB-CG1 3.8Å; D63-V72 PolarHBondContact N-O 2.98Å; D63-V72 PolarHBondContact O-N 2.8Å; V72-Y81 VanDerWaalsContact CA-O 3.32Å; V72-Y81 WeakPolarHBondContact CA-O 3.37Å; V72-V82 HydrophobicContact CB-CG2 4.48Å; V72-V82 HydrophobicContact CG2-CG2 4.13Å; V72-V107 HydrophobicContact CB-CG2 4.27Å; V72-V107 HydrophobicContact CG1-CB 4.46Å; V72-V107 HydrophobicContact CG1-CG1 4.04Å; V72-V107 HydrophobicContact CG1-CG2 3.55Å; V72-V107 HydrophobicContact CG2-CG2 3.68Å; V72-W109 HydrophobicContact CB-CZ2 3.83Å; V72-W109 HydrophobicContact CG1-CD2 4.4Å; V72-W109 HydrophobicContact CG1-CG 4.32Å; V72-W109 HydrophobicContact CG1-CZ2 4.34Å; V72-W109 VanDerWaalsContact CG1-NE1 3.28Å; V72-F116 HydrophobicContact CG2-CD1 4.43Å; V72-F116 HydrophobicContact CG2-CD2 4.06Å; V72-F116 HydrophobicContact CG2-CE1 4.42Å; V72-F116 HydrophobicContact CG2-CE2 4.08Å; V72-F116 HydrophobicContact CG2-CG 4.25Å; V72-F116 HydrophobicContact CG2-CZ 4.29Å |
| 73 | S | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 147.5 | 172.7 | 62.8 | 0 | 0 | 0 | 0 | 109.9 | H55 A80 Y81 W83 | H55-S73 PolarHBondContact CD2-OG 3.41Å; H55-S73 PolarHBondContact NE2-OG 3.48Å; S73-A80 CarbonylContact O-C 3.58Å; S73-A80 WeakPolarHBondContact O-CA 3.37Å; S73-A80 VanDerWaalsContact O-CB 3.29Å; S73-A80 WeakPolarHBondContact O-CB 3.44Å; S73-Y81 PolarHBondContact N-O 3.42Å; S73-Y81 PolarHBondContact O-N 3.26Å; S73-W83 PolarHBondContact OG-NE1 2.82Å |
| 74 | C | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 155.2 | 170.7 | 76.5 | 0 | 0 | 0 | 0 | 111.2 | V59 T60 S61 N79 A80 A104 V107 V118 | V59-C74 WeakPolarHBondContact CG1-O 3.38Å; T60-C74 PolarHBondContact N-O 2.83Å; T60-C74 PolarHBondContact OG1-O 2.84Å; T60-C74 PolarHBondContact OG1-SG 2.87Å; S61-C74 PolarHBondContact O-N 3.14Å; C74-N79 WeakPolarHBondContact CA-O 3.45Å; C74-A80 HydrophobicContact CB-CB 4.06Å; C74-A104 HydrophobicContact CB-CB 3.64Å; C74-V107 HydrophobicContact CB-CB 4.13Å; C74-V107 HydrophobicContact CB-CG1 4.18Å; C74-V118 HydrophobicContact CB-CG1 4.46Å |
| 75 | S | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 161.6 | -169.8 | 169.1 | 0 | 0 | 0 | 0 | 113.5 | H55 A57 L58 D77 R78 N79 A104 | H55-S75 WeakPolarHBondContact CE1-CB 3.34Å; H55-S75 WeakPolarHBondContact ND1-CB 3.41Å; A57-S75 VanDerWaalsContact C-OG 3.27Å; A57-S75 PolarHBondContact O-OG 2.87Å; L58-S75 VanDerWaalsContact O-CA 3.31Å; L58-S75 WeakPolarHBondContact O-CA 3.28Å; L58-S75 WeakPolarHBondContact O-CB 3.11Å; L58-S75 PolarHBondContact O-OG 3.4Å; S75-D77 VanDerWaalsContact CB-OD1 3.28Å; S75-D77 WeakPolarHBondContact CB-OD1 3.27Å; S75-D77 PolarHBondContact O-N 2.71Å; S75-D77 VanDerWaalsContact O-N 3.14Å; S75-D77 VanDerWaalsContact OG-CG 3.3Å; S75-D77 PolarHBondContact OG-N 2.83Å; S75-D77 PolarHBondContact OG-OD1 2.99Å; S75-R78 PolarHBondContact O-N 3.12Å; S75-R78 VanDerWaalsContact O-N 3.17Å; S75-N79 PolarHBondContact N-O 3.24Å; S75-N79 VanDerWaalsContact N-O 3.15Å; S75-A104 PolarHBondContact O-N 2.75Å; S75-A104 VanDerWaalsContact O-N 3.13Å |
| 76 | A | 98.2 | Very high | 97.3 | Very high | 41 Ų | 41 | 38.5 Ų | 38.5 | 34% | 0.339 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -15.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A57 L58 T60 R78 A103 | A57-A76 HydrophobicContact CB-CB 4.01Å; L58-A76 PolarHBondContact O-N 3.29Å; T60-A76 HydrophobicContact CG2-CB 4.47Å; A76-R78 PolarHBondContact O-N 2.91Å; A76-A103 HydrophobicContact CB-CB 4.2Å |
| 77 | D | 97.6 | Very high | 97.2 | Very high | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.08 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -6.2 | 175.4 | 69.2 | 10.5 | 0 | 0 | 0 | 114.2 | H55 S56 A57 S75 N79 | H55-D77 VanDerWaalsContact CA-OD2 3.27Å; H55-D77 WeakPolarHBondContact CA-OD2 3.49Å; H55-D77 WeakPolarHBondContact CB-OD2 3.36Å; H55-D77 IonicContact CE1-OD1 3.61Å; H55-D77 IonicContact CG-OD2 3.24Å; H55-D77 IonicContact ND1-OD1 3.46Å; H55-D77 PolarHBondContact ND1-OD1 3.16Å; H55-D77 IonicContact ND1-OD2 3.46Å; H55-D77 PolarHBondContact ND1-OD2 3.21Å; S56-D77 PolarHBondContact N-OD2 3.02Å; S56-D77 WeakPolarHBondContact OG-CB 3.38Å; A57-D77 HydrophobicContact CB-CB 3.91Å; S75-D77 VanDerWaalsContact CB-OD1 3.28Å; S75-D77 WeakPolarHBondContact CB-OD1 3.27Å; S75-D77 PolarHBondContact O-N 2.71Å; S75-D77 VanDerWaalsContact O-N 3.14Å; S75-D77 VanDerWaalsContact OG-CG 3.3Å; S75-D77 PolarHBondContact OG-N 2.83Å; S75-D77 PolarHBondContact OG-OD1 2.99Å; D77-N79 WeakPolarHBondContact OD1-CA 3.3Å; D77-N79 WeakPolarHBondContact OD1-CB 3.47Å; D77-N79 PolarHBondContact OD1-N 2.92Å |
| 78 | R | 97.1 | Very high | 97.1 | Very high | 134 Ų | 134 | 40.5 Ų | 40.5 | 51% | 0.506 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 85 | 6 | 179.7 | -54.4 | 166.8 | -81.8 | -167.9 | -4.9 | 114.6 | S75 A76 I100 | S75-R78 PolarHBondContact O-N 3.12Å; S75-R78 VanDerWaalsContact O-N 3.17Å; A76-R78 PolarHBondContact O-N 2.91Å; R78-I100 HydrophobicContact CB-CD1 4.41Å; R78-I100 HydrophobicContact CB-CG1 3.97Å; R78-I100 WeakPolarHBondContact O-CG1 3.42Å |
| 79 | N | 96.5 | Very high | 96.8 | Very high | 53 Ų | 53 | 43 Ų | 43 | 28% | 0.283 | 22% | 0.224 | S | C | . | . | trans | -108.1 | 161 | -179.8 | -60.7 | -41.4 | 0 | 0 | 0 | 111.5 | C74 S75 D77 Y81 L95 | C74-N79 WeakPolarHBondContact CA-O 3.45Å; S75-N79 PolarHBondContact N-O 3.24Å; S75-N79 VanDerWaalsContact N-O 3.15Å; D77-N79 WeakPolarHBondContact OD1-CA 3.3Å; D77-N79 WeakPolarHBondContact OD1-CB 3.47Å; D77-N79 PolarHBondContact OD1-N 2.92Å; N79-Y81 HydrophobicContact CB-CE2 4.13Å; N79-L95 HydrophobicContact CB-CD1 3.86Å | ||
| 80 | A | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 150.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | S73 C74 V96 L98 V118 | S73-A80 CarbonylContact O-C 3.58Å; S73-A80 WeakPolarHBondContact O-CA 3.37Å; S73-A80 VanDerWaalsContact O-CB 3.29Å; S73-A80 WeakPolarHBondContact O-CB 3.44Å; C74-A80 HydrophobicContact CB-CB 4.06Å; A80-V96 HydrophobicContact CB-CB 4.07Å; A80-V96 HydrophobicContact CB-CG2 4.25Å; A80-V96 WeakPolarHBondContact O-CB 3.42Å; A80-V96 WeakPolarHBondContact O-CG2 3.28Å; A80-V96 PolarHBondContact O-N 3.35Å; A80-L98 HydrophobicContact CB-CD1 3.92Å; A80-L98 HydrophobicContact CB-CD2 4.34Å; A80-L98 HydrophobicContact CB-CG 4.31Å; A80-V118 HydrophobicContact CB-CG2 4.47Å |
| 81 | Y | 98.2 | Very high | 96.7 | Very high | 28 Ų | 28 | 45.6 Ų | 45.6 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138.8 | 173.5 | -70.9 | -89.5 | 0 | 0 | 0 | 109.5 | E54 H55 V72 S73 N79 W83 P93 T94 L95 | E54-Y81 HydrophobicContact CB-CD2 4.38Å; E54-Y81 HydrophobicContact CB-CE1 4.21Å; E54-Y81 HydrophobicContact CB-CE2 4.07Å; H55-Y81 AromaticContact CE1-CD2 3.39Å; H55-Y81 WeakPolarHBondContact CE1-CD2 3.4Å; H55-Y81 AromaticContact CE1-CE2 3.8Å; H55-Y81 AromaticContact ND1-CD2 3.73Å; H55-Y81 AromaticContact ND1-CE2 3.69Å; H55-Y81 AromaticContact NE2-CD2 3.63Å; V72-Y81 VanDerWaalsContact CA-O 3.32Å; V72-Y81 WeakPolarHBondContact CA-O 3.37Å; S73-Y81 PolarHBondContact N-O 3.42Å; S73-Y81 PolarHBondContact O-N 3.26Å; N79-Y81 HydrophobicContact CB-CE2 4.13Å; Y81-W83 HydrophobicContact CG-CZ2 4.35Å; Y81-P93 HydrophobicContact CD1-CB 3.82Å; Y81-P93 HydrophobicContact CE1-CB 4.38Å; Y81-T94 WeakPolarHBondContact CA-O 3.48Å; Y81-L95 HydrophobicContact CD1-CB 4.34Å; Y81-L95 HydrophobicContact CD1-CD1 4.46Å; Y81-L95 HydrophobicContact CE1-CB 4.02Å; Y81-L95 HydrophobicContact CE1-CD1 3.96Å; Y81-L95 HydrophobicContact CE2-CD1 4.38Å |
| 82 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 125.8 | 163.3 | 177.3 | 0 | 0 | 0 | 0 | 108.1 | R70 I71 V72 T94 V96 W109 F116 W137 | R70-V82 HydrophobicContact CB-CG1 4.28Å; I71-V82 CarbonylContact O-C 3.51Å; I71-V82 WeakPolarHBondContact O-CA 3.47Å; V72-V82 HydrophobicContact CB-CG2 4.48Å; V72-V82 HydrophobicContact CG2-CG2 4.13Å; V82-T94 PolarHBondContact N-O 3.16Å; V82-T94 PolarHBondContact O-N 2.82Å; V82-V96 HydrophobicContact CG2-CG2 3.94Å; V82-W109 HydrophobicContact CG1-CH2 4.01Å; V82-W109 HydrophobicContact CG1-CZ2 4Å; V82-W109 HydrophobicContact CG2-CH2 4.03Å; V82-W109 HydrophobicContact CG2-CZ2 4.17Å; V82-F116 HydrophobicContact CG2-CD1 4.36Å; V82-F116 HydrophobicContact CG2-CE1 3.55Å; V82-F116 HydrophobicContact CG2-CZ 4.01Å; V82-W137 HydrophobicContact CB-CZ2 4.05Å; V82-W137 HydrophobicContact CG1-CZ2 3.75Å; V82-W137 HydrophobicContact CG2-CD2 4.05Å; V82-W137 HydrophobicContact CG2-CH2 4.31Å; V82-W137 HydrophobicContact CG2-CZ2 3.77Å |
| 83 | W | 98.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127 | -178.6 | -49.2 | 83.9 | 0 | 0 | 0 | 109.3 | L52 E54 R70 I71 S73 Y81 W91 K92 P93 | L52-W83 HydrophobicContact CB-CD2 4.28Å; L52-W83 HydrophobicContact CB-CE3 4Å; L52-W83 HydrophobicContact CB-CH2 3.57Å; L52-W83 HydrophobicContact CB-CZ2 3.9Å; L52-W83 HydrophobicContact CB-CZ3 3.64Å; L52-W83 HydrophobicContact CD1-CB 4.41Å; L52-W83 HydrophobicContact CD1-CD2 3.71Å; L52-W83 HydrophobicContact CD1-CE3 3.98Å; L52-W83 HydrophobicContact CD1-CG 3.9Å; L52-W83 HydrophobicContact CD1-CZ3 4.48Å; L52-W83 HydrophobicContact CD2-CE3 4.23Å; L52-W83 HydrophobicContact CD2-CZ3 4.41Å; L52-W83 HydrophobicContact CG-CD2 4.48Å; L52-W83 HydrophobicContact CG-CE3 4.31Å; L52-W83 HydrophobicContact CG-CZ3 4.4Å; E54-W83 HydrophobicContact CB-CH2 3.56Å; E54-W83 HydrophobicContact CB-CZ2 4.16Å; E54-W83 HydrophobicContact CB-CZ3 4.46Å; E54-W83 HydrophobicContact CG-CH2 3.37Å; E54-W83 HydrophobicContact CG-CZ2 4.35Å; E54-W83 HydrophobicContact CG-CZ3 3.79Å; R70-W83 WeakPolarHBondContact CA-O 3.32Å; I71-W83 HydrophobicContact CB-CB 4.13Å; I71-W83 HydrophobicContact CB-CG 4.42Å; I71-W83 PolarHBondContact N-O 2.65Å; I71-W83 VanDerWaalsContact N-O 3.13Å; I71-W83 PolarHBondContact O-N 2.83Å; S73-W83 PolarHBondContact OG-NE1 2.82Å; Y81-W83 HydrophobicContact CG-CZ2 4.35Å; W83-W91 HydrophobicContact CB-CE3 3.73Å; W83-W91 HydrophobicContact CB-CZ3 4.37Å; W83-W91 HydrophobicContact CE3-CB 4.48Å; W83-W91 WeakPolarHBondContact O-CZ3 3.38Å; W83-K92 WeakPolarHBondContact CA-O 3.49Å; W83-P93 HydrophobicContact CD2-CB 4.3Å; W83-P93 HydrophobicContact CE3-CB 3.67Å; W83-P93 HydrophobicContact CE3-CG 4.31Å; W83-P93 HydrophobicContact CH2-CB 4.02Å; W83-P93 HydrophobicContact CZ3-CB 3.51Å; W83-P93 HydrophobicContact CZ3-CG 3.9Å |
| 84 | N | 96.6 | Very high | 96.5 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 24% | 0.235 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 127.3 | 177.6 | -66.3 | -74.9 | 0 | 0 | 0 | 110.1 | R70 Q86 K92 | R70-N84 WeakPolarHBondContact CD-OD1 3.32Å; R70-N84 WeakPolarHBondContact CG-OD1 3.36Å; N84-Q86 PolarHBondContact O-N 2.8Å; N84-Q86 PolarHBondContact O-NE2 3.39Å; N84-K92 PolarHBondContact N-O 3.13Å; N84-K92 PolarHBondContact O-N 3.29Å |
| 85 | K | 95.4 | Very high | 96.3 | Very high | 68 Ų | 68 | 58.3 Ų | 58.3 | 30% | 0.296 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 121.8 | 173.9 | -158.8 | 169.1 | -170.7 | 168.3 | 0 | 109.6 | E23 W91 | E23-K85 IonicContact OE1-NZ 3.6Å; E23-K85 PolarHBondContact OE1-NZ 3.4Å; E23-K85 IonicContact OE2-NZ 3.7Å; K85-W91 HydrophobicContact CB-CD2 4.19Å; K85-W91 HydrophobicContact CB-CE3 4.15Å; K85-W91 HydrophobicContact CB-CH2 4.14Å; K85-W91 HydrophobicContact CB-CZ2 4.16Å; K85-W91 HydrophobicContact CB-CZ3 4.12Å; K85-W91 HydrophobicContact CD-CZ2 3.95Å; K85-W91 HydrophobicContact CG-CD2 4.48Å; K85-W91 HydrophobicContact CG-CZ2 4.33Å |
| 86 | Q | 94.7 | Very high | 96.2 | Very high | 77 Ų | 77 | 58.3 Ų | 58.3 | 36% | 0.36 | 30% | 0.299 | S | S | . | . | trans | -88.5 | 173.1 | -179.9 | -56.6 | -57.5 | -66.6 | 0 | 0 | 111.1 | N84 D88 N89 K90 K92 | N84-Q86 PolarHBondContact O-N 2.8Å; N84-Q86 PolarHBondContact O-NE2 3.39Å; Q86-D88 WeakPolarHBondContact CB-OD1 3.45Å; Q86-D88 PolarHBondContact O-N 3.25Å; Q86-N89 PolarHBondContact O-N 3.32Å; Q86-K90 WeakPolarHBondContact CB-O 3.32Å; Q86-K90 PolarHBondContact N-O 2.83Å; Q86-K92 HydrophobicContact CG-CB 3.68Å | ||
| 87 | S | 93.2 | Very high | 95.8 | Very high | 130 Ų | 130 | 60.4 Ų | 60.4 | 91% | 0.909 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23 | 178.8 | 52.8 | 0 | 0 | 0 | 0 | 114.1 | N89 | S87-N89 PolarHBondContact O-N 3.32Š|
| 88 | D | 93.4 | Very high | 95.6 | Very high | 88 Ų | 88 | 59.9 Ų | 59.9 | 47% | 0.471 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 12.5 | 173.9 | 72.6 | -16 | 0 | 0 | 0 | 113.2 | Q86 K90 | Q86-D88 WeakPolarHBondContact CB-OD1 3.45Å; Q86-D88 PolarHBondContact O-N 3.25Å; D88-K90 PolarHBondContact O-N 3.42Å; D88-K90 WeakPolarHBondContact OD1-CB 3.34Å; D88-K90 PolarHBondContact OD1-N 3.02Å; D88-K90 WeakPolarHBondContact OD2-CD 3.41Å |
| 89 | N | 90.8 | Very high | 95.4 | Very high | 116 Ų | 116 | 59.1 Ų | 59.1 | 62% | 0.62 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 62.4 | 11.6 | -175 | -68.8 | -54 | 0 | 0 | 0 | 115.5 | Q86 S87 | Q86-N89 PolarHBondContact O-N 3.32Å; S87-N89 PolarHBondContact O-N 3.32Å |
| 90 | K | 95 | Very high | 95.4 | Very high | 134 Ų | 134 | 57.7 Ų | 57.7 | 58% | 0.583 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -90.1 | 150.4 | 173.6 | -61.5 | -174.3 | -174 | 169.6 | 0 | 111.7 | Q86 D88 | Q86-K90 WeakPolarHBondContact CB-O 3.32Å; Q86-K90 PolarHBondContact N-O 2.83Å; D88-K90 PolarHBondContact O-N 3.42Å; D88-K90 WeakPolarHBondContact OD1-CB 3.34Å; D88-K90 PolarHBondContact OD1-N 3.02Å; D88-K90 WeakPolarHBondContact OD2-CD 3.41Å |
| 91 | W | 97.3 | Very high | 95.3 | Very high | 24 Ų | 24 | 63.1 Ų | 63.1 | 9% | 0.091 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 119.8 | 174.3 | -69.5 | 90.3 | 0 | 0 | 0 | 110.5 | L35 L52 W64 N69 I71 W83 K85 | L35-W91 HydrophobicContact CD1-CD2 4.18Å; L35-W91 HydrophobicContact CD1-CG 4.06Å; L35-W91 HydrophobicContact CD1-CZ2 4.19Å; L52-W91 HydrophobicContact CD2-CB 3.5Å; L52-W91 VanDerWaalsContact CD2-CB 3.5Å; L52-W91 HydrophobicContact CD2-CG 3.84Å; W64-W91 AromaticContact CE2-CH2 4Å; W64-W91 HydrophobicContact CH2-CH2 4.4Å; W64-W91 HydrophobicContact CH2-CZ2 4.03Å; W64-W91 AromaticContact CZ2-CH2 3.61Å; W64-W91 HydrophobicContact CZ2-CH2 3.61Å; W64-W91 AromaticContact CZ2-CZ2 3.6Å; W64-W91 HydrophobicContact CZ2-CZ2 3.6Å; N69-W91 WeakPolarHBondContact O-CH2 3.08Å; N69-W91 WeakPolarHBondContact O-CZ3 3.25Å; I71-W91 HydrophobicContact CB-CZ3 4.41Å; I71-W91 HydrophobicContact CD1-CD2 4.4Å; I71-W91 HydrophobicContact CD1-CE3 4.17Å; I71-W91 HydrophobicContact CD1-CH2 3.59Å; I71-W91 HydrophobicContact CD1-CZ2 3.84Å; I71-W91 HydrophobicContact CD1-CZ3 3.77Å; I71-W91 HydrophobicContact CG1-CH2 3.82Å; I71-W91 HydrophobicContact CG1-CZ3 3.82Å; W83-W91 HydrophobicContact CB-CE3 3.73Å; W83-W91 HydrophobicContact CB-CZ3 4.37Å; W83-W91 HydrophobicContact CE3-CB 4.48Å; W83-W91 WeakPolarHBondContact O-CZ3 3.38Å; K85-W91 HydrophobicContact CB-CD2 4.19Å; K85-W91 HydrophobicContact CB-CE3 4.15Å; K85-W91 HydrophobicContact CB-CH2 4.14Å; K85-W91 HydrophobicContact CB-CZ2 4.16Å; K85-W91 HydrophobicContact CB-CZ3 4.12Å; K85-W91 HydrophobicContact CD-CZ2 3.95Å; K85-W91 HydrophobicContact CG-CD2 4.48Å; K85-W91 HydrophobicContact CG-CZ2 4.33Å |
| 92 | K | 96.7 | Very high | 95.3 | Very high | 119 Ų | 119 | 69.1 Ų | 69.1 | 52% | 0.517 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122.6 | 175 | -176.4 | -178.3 | 176.5 | -173.2 | 0 | 110 | W83 N84 Q86 | W83-K92 WeakPolarHBondContact CA-O 3.49Å; N84-K92 PolarHBondContact N-O 3.13Å; N84-K92 PolarHBondContact O-N 3.29Å; Q86-K92 HydrophobicContact CG-CB 3.68Å |
| 93 | P | 97 | Very high | 95.3 | Very high | 38 Ų | 38 | 70.6 Ų | 70.6 | 25% | 0.247 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 141 | 172.5 | 28 | -31.7 | 0 | 0 | 0 | 112.1 | E54 Y81 W83 | E54-P93 HydrophobicContact CG-CB 3.8Å; E54-P93 HydrophobicContact CG-CG 3.65Å; Y81-P93 HydrophobicContact CD1-CB 3.82Å; Y81-P93 HydrophobicContact CE1-CB 4.38Å; W83-P93 HydrophobicContact CD2-CB 4.3Å; W83-P93 HydrophobicContact CE3-CB 3.67Å; W83-P93 HydrophobicContact CE3-CG 4.31Å; W83-P93 HydrophobicContact CH2-CB 4.02Å; W83-P93 HydrophobicContact CZ3-CB 3.51Å; W83-P93 HydrophobicContact CZ3-CG 3.9Å |
| 94 | T | 96.5 | Very high | 95.3 | Very high | 37 Ų | 37 | 70.4 Ų | 70.4 | 23% | 0.227 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 122.2 | 164.8 | -55.6 | 0 | 0 | 0 | 0 | 108.8 | Y81 V82 | Y81-T94 WeakPolarHBondContact CA-O 3.48Å; V82-T94 PolarHBondContact N-O 3.16Å; V82-T94 PolarHBondContact O-N 2.82Å |
| 95 | L | 95.4 | Very high | 95.4 | Very high | 74 Ų | 74 | 70.3 Ų | 70.3 | 39% | 0.387 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 139.5 | 178.7 | 179.6 | 62.2 | 0 | 0 | 0 | 111.4 | N79 Y81 L97 | N79-L95 HydrophobicContact CB-CD1 3.86Å; Y81-L95 HydrophobicContact CD1-CB 4.34Å; Y81-L95 HydrophobicContact CD1-CD1 4.46Å; Y81-L95 HydrophobicContact CE1-CB 4.02Å; Y81-L95 HydrophobicContact CE1-CD1 3.96Å; Y81-L95 HydrophobicContact CE2-CD1 4.38Å; L95-L97 HydrophobicContact CD2-CD2 4.35Å |
| 96 | V | 96.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.6 | 174.8 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | A80 V82 L98 F116 C128 W137 | A80-V96 HydrophobicContact CB-CB 4.07Å; A80-V96 HydrophobicContact CB-CG2 4.25Å; A80-V96 WeakPolarHBondContact O-CB 3.42Å; A80-V96 WeakPolarHBondContact O-CG2 3.28Å; A80-V96 PolarHBondContact O-N 3.35Å; V82-V96 HydrophobicContact CG2-CG2 3.94Å; V96-L98 HydrophobicContact CG1-CD2 3.71Å; V96-L98 HydrophobicContact CG1-CG 4.34Å; V96-L98 PolarHBondContact O-N 3.13Å; V96-F116 HydrophobicContact CB-CZ 4.15Å; V96-F116 HydrophobicContact CG1-CE2 4.01Å; V96-F116 HydrophobicContact CG1-CZ 3.6Å; V96-F116 HydrophobicContact CG2-CE1 4.36Å; V96-F116 HydrophobicContact CG2-CE2 4.35Å; V96-F116 HydrophobicContact CG2-CZ 3.54Å; V96-C128 HydrophobicContact CG1-CB 4.24Å; V96-W137 HydrophobicContact CB-CB 4.23Å; V96-W137 HydrophobicContact CG1-CB 4.01Å; V96-W137 HydrophobicContact CG2-CB 3.97Å; V96-W137 HydrophobicContact CG2-CG 4.05Å |
| 97 | L | 89.3 | Confident | 95.7 | Very high | 85 Ų | 85 | 64 Ų | 64 | 45% | 0.445 | 33% | 0.333 | S | S | . | . | trans | -81.4 | 83.5 | 178.2 | -64.8 | -178.6 | 0 | 0 | 0 | 111.6 | L95 M99 W136 | L95-L97 HydrophobicContact CD2-CD2 4.35Å; L97-M99 VanDerWaalsContact C-N 3.28Å; L97-M99 PolarHBondContact O-N 2.89Å; L97-W136 HydrophobicContact CB-CE3 4.47Å; L97-W136 HydrophobicContact CB-CZ3 4.01Å; L97-W136 HydrophobicContact CD1-CE3 3.93Å; L97-W136 HydrophobicContact CD1-CH2 4.31Å; L97-W136 HydrophobicContact CD1-CZ3 3.72Å; L97-W136 HydrophobicContact CG-CE3 4.3Å; L97-W136 HydrophobicContact CG-CZ3 4.2Å | ||
| 98 | L | 94.7 | Very high | 96 | Very high | 3 Ų | 3 | 59.6 Ų | 59.6 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | trans | -69.1 | -28.6 | 175.4 | -57.3 | -179.3 | 0 | 0 | 0 | 112.6 | A80 V96 I100 A104 V118 A126 K141 | A80-L98 HydrophobicContact CB-CD1 3.92Å; A80-L98 HydrophobicContact CB-CD2 4.34Å; A80-L98 HydrophobicContact CB-CG 4.31Å; V96-L98 HydrophobicContact CG1-CD2 3.71Å; V96-L98 HydrophobicContact CG1-CG 4.34Å; V96-L98 PolarHBondContact O-N 3.13Å; L98-I100 HydrophobicContact CB-CD1 4.14Å; L98-I100 HydrophobicContact CB-CG1 4.02Å; L98-I100 HydrophobicContact CB-CG2 4.12Å; L98-I100 HydrophobicContact CD1-CD1 3.76Å; L98-I100 HydrophobicContact CD1-CG1 4.45Å; L98-I100 PolarHBondContact O-N 3.45Å; L98-A104 HydrophobicContact CD1-CB 4.17Å; L98-V118 HydrophobicContact CD1-CB 4.42Å; L98-V118 HydrophobicContact CD1-CG1 3.93Å; L98-V118 HydrophobicContact CD1-CG2 4.36Å; L98-V118 HydrophobicContact CD2-CB 4.13Å; L98-V118 HydrophobicContact CD2-CG2 3.79Å; L98-A126 HydrophobicContact CD2-CB 4.07Å; L98-K141 WeakPolarHBondContact O-CE 3.47Å | ||
| 99 | M | 92.4 | Very high | 96.2 | Very high | 119 Ų | 119 | 56.1 Ų | 56.1 | 59% | 0.586 | 28% | 0.279 | S | S | * | . | trans | 53.2 | 48.5 | -175.2 | -60 | 176.6 | -85 | 0 | 0 | 112.2 | L97 K141 | L97-M99 VanDerWaalsContact C-N 3.28Å; L97-M99 PolarHBondContact O-N 2.89Å; M99-K141 WeakPolarHBondContact O-CE 3.48Å; M99-K141 PolarHBondContact O-NZ 2.85Å | ||
| 100 | I | 96.1 | Very high | 96.6 | Very high | 22 Ų | 22 | 50.8 Ų | 50.8 | 11% | 0.113 | 25% | 0.25 | C | S | . | . | trans | -107.8 | 153.4 | 178.6 | 60.9 | -179.3 | 0 | 0 | 0 | 111.1 | R78 L98 R102 A104 S122 L124 | R78-I100 HydrophobicContact CB-CD1 4.41Å; R78-I100 HydrophobicContact CB-CG1 3.97Å; R78-I100 WeakPolarHBondContact O-CG1 3.42Å; L98-I100 HydrophobicContact CB-CD1 4.14Å; L98-I100 HydrophobicContact CB-CG1 4.02Å; L98-I100 HydrophobicContact CB-CG2 4.12Å; L98-I100 HydrophobicContact CD1-CD1 3.76Å; L98-I100 HydrophobicContact CD1-CG1 4.45Å; L98-I100 PolarHBondContact O-N 3.45Å; I100-R102 VanDerWaalsContact CD1-O 3.25Å; I100-R102 WeakPolarHBondContact CD1-O 3.1Å; I100-R102 WeakPolarHBondContact CG1-O 3.29Å; I100-A104 HydrophobicContact CD1-CB 4Å; I100-S122 WeakPolarHBondContact CB-OG 3.28Å; I100-L124 HydrophobicContact CG2-CD1 3.8Å; I100-L124 HydrophobicContact CG2-CD2 4.34Å; I100-L124 HydrophobicContact CG2-CG 4.34Å | ||
| 101 | D | 96.4 | Very high | 96.7 | Very high | 114 Ų | 114 | 47.3 Ų | 47.3 | 61% | 0.61 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -104.8 | -3.4 | -178.4 | 68.2 | -11.1 | 0 | 0 | 0 | 113.8 | S122 | D101-S122 PolarHBondContact N-OG 2.85Å; D101-S122 VanDerWaalsContact OD1-CB 3.29Å; D101-S122 WeakPolarHBondContact OD1-CB 3.49Å; D101-S122 PolarHBondContact OD1-OG 2.82Å |
| 102 | R | 97.8 | Very high | 96.6 | Very high | 154 Ų | 154 | 52.1 Ų | 52.1 | 58% | 0.581 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -137.3 | 166.2 | 177.4 | -67.2 | 178.3 | 178.2 | -85.1 | -1.8 | 109.9 | I100 G121 S122 | I100-R102 VanDerWaalsContact CD1-O 3.25Å; I100-R102 WeakPolarHBondContact CD1-O 3.1Å; I100-R102 WeakPolarHBondContact CG1-O 3.29Å; R102-G121 WeakPolarHBondContact CD-O 3.45Å; R102-S122 PolarHBondContact N-OG 2.85Å |
| 103 | A | 97.9 | Very high | 96.6 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 26% | 0.264 | 25% | 0.245 | S | C | . | . | trans | -43.8 | 137.2 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | A76 S120 G121 | A76-A103 HydrophobicContact CB-CB 4.2Å; A103-S120 WeakPolarHBondContact O-CA 3.4Å; A103-G121 PolarHBondContact O-N 3.31Å | ||
| 104 | A | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 140.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 107.7 | T60 C74 S75 L98 I100 V118 | T60-A104 PolarHBondContact OG1-O 2.86Å; C74-A104 HydrophobicContact CB-CB 3.64Å; S75-A104 PolarHBondContact O-N 2.75Å; S75-A104 VanDerWaalsContact O-N 3.13Å; L98-A104 HydrophobicContact CD1-CB 4.17Å; I100-A104 HydrophobicContact CD1-CB 4Å; A104-V118 HydrophobicContact CB-CG1 3.67Å |
| 105 | V | 98.5 | Very high | 96.6 | Very high | 42 Ų | 42 | 47.7 Ų | 47.7 | 26% | 0.255 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -41.7 | -169.5 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | T60 G119 T149 | T60-V105 WeakPolarHBondContact CB-O 3.35Å; T60-V105 PolarHBondContact OG1-O 2.9Å; V105-G119 PolarHBondContact N-O 3.35Å; V105-T149 HydrophobicContact CG2-CG2 3.83Å |
| 106 | C | 98.5 | Very high | 96.7 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 8% | 0.081 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 148.3 | 179.5 | 52.1 | 0 | 0 | 0 | 0 | 110.9 | V118 G119 I153 | C106-V118 VanDerWaalsContact O-CA 3.31Å; C106-V118 WeakPolarHBondContact O-CA 3.39Å; C106-G119 PolarHBondContact N-O 3.06Å; C106-G119 PolarHBondContact O-N 2.9Å; C106-I153 HydrophobicContact CB-CG1 4.31Å |
| 107 | V | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 141.6 | 176 | 65.8 | 0 | 0 | 0 | 0 | 111 | S61 V72 C74 F116 A117 V118 | S61-V107 WeakPolarHBondContact O-CG1 3.27Å; S61-V107 PolarHBondContact OG-N 2.83Å; S61-V107 VanDerWaalsContact OG-N 3.13Å; S61-V107 PolarHBondContact OG-O 3.34Å; V72-V107 HydrophobicContact CB-CG2 4.27Å; V72-V107 HydrophobicContact CG1-CB 4.46Å; V72-V107 HydrophobicContact CG1-CG1 4.04Å; V72-V107 HydrophobicContact CG1-CG2 3.55Å; V72-V107 HydrophobicContact CG2-CG2 3.68Å; C74-V107 HydrophobicContact CB-CB 4.13Å; C74-V107 HydrophobicContact CB-CG1 4.18Å; V107-F116 HydrophobicContact CG2-CD2 3.92Å; V107-A117 VanDerWaalsContact CA-O 3.31Å; V107-A117 WeakPolarHBondContact CA-O 3.45Å; V107-A117 WeakPolarHBondContact CG2-O 3.44Å; V107-V118 HydrophobicContact CB-CG2 4.3Å; V107-V118 HydrophobicContact CG2-CG2 3.86Å |
| 108 | K | 98.7 | Very high | 97.2 | Very high | 39 Ų | 39 | 40.2 Ų | 40.2 | 17% | 0.17 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 135.2 | 174.7 | -66 | -65.9 | 175.6 | 176.4 | 0 | 110.7 | D63 F116 A117 I153 W155 E332 | D63-K108 WeakPolarHBondContact OD2-CA 3.29Å; K108-F116 CarbonylContact O-C 3.54Å; K108-F116 VanDerWaalsContact O-CA 3.25Å; K108-F116 WeakPolarHBondContact O-CA 3.48Å; K108-F116 VanDerWaalsContact O-CB 3.26Å; K108-F116 WeakPolarHBondContact O-CB 3.38Å; K108-A117 PolarHBondContact N-O 3.38Å; K108-A117 VanDerWaalsContact N-O 3.15Å; K108-A117 PolarHBondContact O-N 2.81Å; K108-I153 HydrophobicContact CB-CD1 4.13Å; K108-I153 HydrophobicContact CB-CG1 4.25Å; K108-I153 HydrophobicContact CG-CD1 4.23Å; K108-I153 HydrophobicContact CG-CG1 3.88Å; K108-W155 PolarHBondContact O-NE1 3.36Å; K108-E332 IonicContact NZ-OE1 3.55Å; K108-E332 PolarHBondContact NZ-OE1 2.91Å; K108-E332 VanDerWaalsContact NZ-OE1 3.14Å |
| 109 | W | 98.6 | Very high | 97.4 | Very high | 15 Ų | 15 | 40 Ų | 40 | 6% | 0.057 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 147.5 | 166.5 | -74.5 | 106.4 | 0 | 0 | 0 | 110.5 | D63 A65 R70 V72 V82 R115 F116 W137 W155 | D63-W109 PolarHBondContact O-NE1 3.13Å; D63-W109 PolarHBondContact OD2-N 2.98Å; A65-W109 HydrophobicContact CB-CD2 3.96Å; A65-W109 HydrophobicContact CB-CG 3.92Å; R70-W109 HydrophobicContact CB-CH2 4.36Å; R70-W109 HydrophobicContact CB-CZ2 3.86Å; R70-W109 PolarHBondContact O-NE1 3.23Å; V72-W109 HydrophobicContact CB-CZ2 3.83Å; V72-W109 HydrophobicContact CG1-CD2 4.4Å; V72-W109 HydrophobicContact CG1-CG 4.32Å; V72-W109 HydrophobicContact CG1-CZ2 4.34Å; V72-W109 VanDerWaalsContact CG1-NE1 3.28Å; V82-W109 HydrophobicContact CG1-CH2 4.01Å; V82-W109 HydrophobicContact CG1-CZ2 4Å; V82-W109 HydrophobicContact CG2-CH2 4.03Å; V82-W109 HydrophobicContact CG2-CZ2 4.17Å; W109-R115 VanDerWaalsContact CE3-O 3.27Å; W109-F116 HydrophobicContact CD2-CB 4.16Å; W109-F116 HydrophobicContact CE3-CB 3.95Å; W109-F116 HydrophobicContact CE3-CD1 4.04Å; W109-F116 HydrophobicContact CE3-CG 4.49Å; W109-F116 AromaticContact CH2-CD1 3.78Å; W109-F116 HydrophobicContact CH2-CD1 3.78Å; W109-F116 HydrophobicContact CH2-CE1 4.26Å; W109-F116 HydrophobicContact CZ2-CD1 4.37Å; W109-F116 HydrophobicContact CZ3-CB 4.39Å; W109-F116 AromaticContact CZ3-CD1 3.61Å; W109-F116 HydrophobicContact CZ3-CD1 3.61Å; W109-F116 HydrophobicContact CZ3-CE1 4.42Å; W109-F116 HydrophobicContact CZ3-CG 4.47Å; W109-W137 AromaticContact CH2-CH2 3.55Å; W109-W137 HydrophobicContact CH2-CH2 3.55Å; W109-W137 HydrophobicContact CH2-CZ2 4.06Å; W109-W137 HydrophobicContact CH2-CZ3 4.26Å; W109-W137 AromaticContact CZ3-CH2 3.71Å; W109-W137 HydrophobicContact CZ3-CH2 3.71Å; W109-W137 HydrophobicContact CZ3-CZ3 4.17Å; W109-W155 PolarHBondContact O-NE1 3.37Å |
| 110 | S | 97.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | trans | -70.2 | 154.3 | 167.5 | 71.8 | 0 | 0 | 0 | 0 | 109.7 | L112 E113 D114 R115 N159 | S110-L112 PolarHBondContact O-N 2.93Å; S110-L112 VanDerWaalsContact O-N 3.17Å; S110-E113 WeakPolarHBondContact O-CA 3.43Å; S110-E113 PolarHBondContact O-N 3.33Å; S110-E113 PolarHBondContact OG-N 3.43Å; S110-D114 PolarHBondContact OG-N 3.24Å; S110-D114 PolarHBondContact OG-OD1 2.9Å; S110-R115 VanDerWaalsContact CB-O 3.29Å; S110-R115 WeakPolarHBondContact CB-O 3.17Å; S110-R115 PolarHBondContact N-O 2.76Å; S110-R115 PolarHBondContact OG-N 3.15Å; S110-R115 VanDerWaalsContact OG-N 3.11Å; S110-R115 PolarHBondContact OG-O 2.87Å; S110-N159 WeakPolarHBondContact CB-OD1 3.25Å; S110-N159 PolarHBondContact OG-OD1 2.99Å | ||
| 111 | P | 97.1 | Very high | 97.8 | Very high | 61 Ų | 61 | 33.8 Ų | 33.8 | 40% | 0.396 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -32.1 | 178.6 | -30.2 | 32.9 | 0 | 0 | 0 | 115.8 | E113 W155 H156 N159 | P111-E113 VanDerWaalsContact C-N 3.33Å; P111-W155 HydrophobicContact CG-CB 4.24Å; P111-H156 WeakPolarHBondContact CG-O 3.39Å; P111-N159 VanDerWaalsContact CD-OD1 3.22Å; P111-N159 WeakPolarHBondContact CD-OD1 3.19Å; P111-N159 VanDerWaalsContact N-OD1 3.12Å |
| 112 | L | 96.4 | Very high | 97.9 | Very high | 126 Ų | 126 | 29.1 Ų | 29.1 | 66% | 0.66 | 15% | 0.152 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -0.9 | 176.3 | -60.2 | -177.1 | 0 | 0 | 0 | 113.1 | S110 D114 N159 | S110-L112 PolarHBondContact O-N 2.93Å; S110-L112 VanDerWaalsContact O-N 3.17Å; L112-D114 PolarHBondContact O-N 2.94Å; L112-N159 HydrophobicContact CD1-CB 3.99Å; L112-N159 WeakPolarHBondContact CD1-ND2 3.38Å; L112-N159 HydrophobicContact CG-CB 3.85Å; L112-N159 VanDerWaalsContact CG-CG 3.47Å; L112-N159 PolarHBondContact N-OD1 3.14Å |
| 113 | E | 97.2 | Very high | 97.9 | Very high | 8 Ų | 8 | 26.9 Ų | 26.9 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | S | Bend | trans | 58.7 | 15.3 | -179.7 | -52.3 | 175.1 | -165.5 | 0 | 0 | 114 | A65 P66 Q67 T68 R70 S110 P111 R115 | A65-E113 HydrophobicContact CB-CB 4.2Å; A65-E113 HydrophobicContact CB-CG 3.86Å; A65-E113 VanDerWaalsContact CB-OE2 3.25Å; A65-E113 WeakPolarHBondContact CB-OE2 3.36Å; P66-E113 WeakPolarHBondContact CD-OE1 3.48Å; P66-E113 VanDerWaalsContact CG-OE1 3.31Å; P66-E113 WeakPolarHBondContact CG-OE1 3.46Å; P66-E113 VanDerWaalsContact N-OE1 3.11Å; Q67-E113 WeakPolarHBondContact CB-OE1 3.35Å; Q67-E113 WeakPolarHBondContact CG-OE1 3.29Å; Q67-E113 PolarHBondContact N-OE1 3.31Å; Q67-E113 PolarHBondContact N-OE2 3.35Å; T68-E113 VanDerWaalsContact CB-OE2 3.27Å; T68-E113 WeakPolarHBondContact CB-OE2 3.09Å; T68-E113 HydrophobicContact CG2-CB 4.11Å; T68-E113 VanDerWaalsContact CG2-OE2 3.28Å; T68-E113 WeakPolarHBondContact CG2-OE2 3.35Å; T68-E113 PolarHBondContact N-OE2 3.47Å; T68-E113 PolarHBondContact OG1-OE2 2.88Å; R70-E113 PolarHBondContact NH2-O 2.86Å; S110-E113 WeakPolarHBondContact O-CA 3.43Å; S110-E113 PolarHBondContact O-N 3.33Å; S110-E113 PolarHBondContact OG-N 3.43Å; P111-E113 VanDerWaalsContact C-N 3.33Å; E113-R115 VanDerWaalsContact C-N 3.34Å |
| 114 | D | 95.3 | Very high | 97.9 | Very high | 66 Ų | 66 | 25.8 Ų | 25.8 | 35% | 0.353 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -79.3 | -22.7 | 175.4 | 65.7 | -40.6 | 0 | 0 | 0 | 112 | S110 L112 N159 | S110-D114 PolarHBondContact OG-N 3.24Å; S110-D114 PolarHBondContact OG-OD1 2.9Å; L112-D114 PolarHBondContact O-N 2.94Å; D114-N159 PolarHBondContact OD1-ND2 2.97Å; D114-N159 PolarHBondContact OD1-OD1 2.8Å; D114-N159 PolarHBondContact OD2-ND2 2.64Å |
| 115 | R | 96.3 | Very high | 97.9 | Very high | 26 Ų | 26 | 25.8 Ų | 25.8 | 10% | 0.098 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 162.9 | -174 | -81.6 | 173.8 | -68 | 145.9 | 12.4 | 110.6 | W109 S110 E113 C128 W129 W155 N159 T176 | W109-R115 VanDerWaalsContact CE3-O 3.27Å; S110-R115 VanDerWaalsContact CB-O 3.29Å; S110-R115 WeakPolarHBondContact CB-O 3.17Å; S110-R115 PolarHBondContact N-O 2.76Å; S110-R115 PolarHBondContact OG-N 3.15Å; S110-R115 VanDerWaalsContact OG-N 3.11Å; S110-R115 PolarHBondContact OG-O 2.87Å; E113-R115 VanDerWaalsContact C-N 3.34Å; R115-C128 CarbonylContact C-O 3.57Å; R115-C128 WeakPolarHBondContact CA-O 3.48Å; R115-C128 WeakPolarHBondContact CB-O 3.07Å; R115-C128 WeakPolarHBondContact CG-O 3.28Å; R115-W129 HydrophobicContact CG-CB 3.72Å; R115-W155 HydrophobicContact CB-CH2 4.06Å; R115-W155 HydrophobicContact CB-CZ2 4.31Å; R115-N159 PolarHBondContact NH2-ND2 2.77Å; R115-N159 PolarHBondContact NH2-O 2.86Å; R115-T176 PolarHBondContact NH1-O 2.81Å; R115-T176 PolarHBondContact NH1-OG1 3.01Å |
| 116 | F | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 162.3 | 161.4 | 60.3 | -92.3 | 0 | 0 | 0 | 109.6 | V72 V82 V96 V107 K108 W109 V118 C128 W137 | V72-F116 HydrophobicContact CG2-CD1 4.43Å; V72-F116 HydrophobicContact CG2-CD2 4.06Å; V72-F116 HydrophobicContact CG2-CE1 4.42Å; V72-F116 HydrophobicContact CG2-CE2 4.08Å; V72-F116 HydrophobicContact CG2-CG 4.25Å; V72-F116 HydrophobicContact CG2-CZ 4.29Å; V82-F116 HydrophobicContact CG2-CD1 4.36Å; V82-F116 HydrophobicContact CG2-CE1 3.55Å; V82-F116 HydrophobicContact CG2-CZ 4.01Å; V96-F116 HydrophobicContact CB-CZ 4.15Å; V96-F116 HydrophobicContact CG1-CE2 4.01Å; V96-F116 HydrophobicContact CG1-CZ 3.6Å; V96-F116 HydrophobicContact CG2-CE1 4.36Å; V96-F116 HydrophobicContact CG2-CE2 4.35Å; V96-F116 HydrophobicContact CG2-CZ 3.54Å; V107-F116 HydrophobicContact CG2-CD2 3.92Å; K108-F116 CarbonylContact O-C 3.54Å; K108-F116 VanDerWaalsContact O-CA 3.25Å; K108-F116 WeakPolarHBondContact O-CA 3.48Å; K108-F116 VanDerWaalsContact O-CB 3.26Å; K108-F116 WeakPolarHBondContact O-CB 3.38Å; W109-F116 HydrophobicContact CD2-CB 4.16Å; W109-F116 HydrophobicContact CE3-CB 3.95Å; W109-F116 HydrophobicContact CE3-CD1 4.04Å; W109-F116 HydrophobicContact CE3-CG 4.49Å; W109-F116 AromaticContact CH2-CD1 3.78Å; W109-F116 HydrophobicContact CH2-CD1 3.78Å; W109-F116 HydrophobicContact CH2-CE1 4.26Å; W109-F116 HydrophobicContact CZ2-CD1 4.37Å; W109-F116 HydrophobicContact CZ3-CB 4.39Å; W109-F116 AromaticContact CZ3-CD1 3.61Å; W109-F116 HydrophobicContact CZ3-CD1 3.61Å; W109-F116 HydrophobicContact CZ3-CE1 4.42Å; W109-F116 HydrophobicContact CZ3-CG 4.47Å; F116-V118 HydrophobicContact CD2-CG2 3.94Å; F116-V118 HydrophobicContact CE2-CG2 3.92Å; F116-C128 HydrophobicContact CD1-CB 4.24Å; F116-C128 HydrophobicContact CD2-CB 3.86Å; F116-C128 HydrophobicContact CE1-CB 3.83Å; F116-C128 HydrophobicContact CE2-CB 3.37Å; F116-C128 HydrophobicContact CG-CB 4.25Å; F116-C128 HydrophobicContact CZ-CB 3.33Å; F116-C128 PolarHBondContact N-O 2.91Å; F116-C128 PolarHBondContact O-N 3.03Å; F116-W137 HydrophobicContact CD1-CE3 4.15Å; F116-W137 HydrophobicContact CD1-CH2 4.36Å; F116-W137 AromaticContact CD1-CZ3 3.77Å; F116-W137 HydrophobicContact CD1-CZ3 3.77Å; F116-W137 AromaticContact CE1-CD2 3.92Å; F116-W137 HydrophobicContact CE1-CD2 3.92Å; F116-W137 AromaticContact CE1-CE3 3.31Å; F116-W137 HydrophobicContact CE1-CE3 3.31Å; F116-W137 HydrophobicContact CE1-CH2 4.06Å; F116-W137 AromaticContact CE1-CZ3 3.38Å; F116-W137 HydrophobicContact CE1-CZ3 3.38Å; F116-W137 HydrophobicContact CZ-CD2 4.48Å; F116-W137 HydrophobicContact CZ-CE3 4.07Å |
| 117 | A | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 146.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V107 K108 A126 I153 W155 L162 | V107-A117 VanDerWaalsContact CA-O 3.31Å; V107-A117 WeakPolarHBondContact CA-O 3.45Å; V107-A117 WeakPolarHBondContact CG2-O 3.44Å; K108-A117 PolarHBondContact N-O 3.38Å; K108-A117 VanDerWaalsContact N-O 3.15Å; K108-A117 PolarHBondContact O-N 2.81Å; A117-A126 CarbonylContact C-O 3.53Å; A117-A126 VanDerWaalsContact CA-O 3.25Å; A117-A126 WeakPolarHBondContact CA-O 3.28Å; A117-I153 HydrophobicContact CB-CD1 3.94Å; A117-I153 WeakPolarHBondContact O-CD1 3.3Å; A117-W155 HydrophobicContact CB-CZ2 3.64Å; A117-L162 HydrophobicContact CB-CD1 3.77Å; A117-L162 HydrophobicContact CB-CD2 3.46Å; A117-L162 VanDerWaalsContact CB-CD2 3.46Å; A117-L162 HydrophobicContact CB-CG 4.29Å |
| 118 | V | 98.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123 | 176 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | C74 A80 L98 A104 C106 V107 F116 L125 A126 | C74-V118 HydrophobicContact CB-CG1 4.46Å; A80-V118 HydrophobicContact CB-CG2 4.47Å; L98-V118 HydrophobicContact CD1-CB 4.42Å; L98-V118 HydrophobicContact CD1-CG1 3.93Å; L98-V118 HydrophobicContact CD1-CG2 4.36Å; L98-V118 HydrophobicContact CD2-CB 4.13Å; L98-V118 HydrophobicContact CD2-CG2 3.79Å; A104-V118 HydrophobicContact CB-CG1 3.67Å; C106-V118 VanDerWaalsContact O-CA 3.31Å; C106-V118 WeakPolarHBondContact O-CA 3.39Å; V107-V118 HydrophobicContact CB-CG2 4.3Å; V107-V118 HydrophobicContact CG2-CG2 3.86Å; F116-V118 HydrophobicContact CD2-CG2 3.94Å; F116-V118 HydrophobicContact CE2-CG2 3.92Å; V118-L125 CarbonylContact O-C 3.37Å; V118-L125 WeakPolarHBondContact O-CA 3.47Å; V118-A126 HydrophobicContact CB-CB 4.41Å; V118-A126 PolarHBondContact N-O 3.01Å; V118-A126 PolarHBondContact O-N 2.98Å |
| 119 | G | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 140.8 | 166 | 0 | 0 | 0 | 0 | 0 | 110.7 | V105 C106 | V105-G119 PolarHBondContact N-O 3.35Å; C106-G119 PolarHBondContact N-O 3.06Å; C106-G119 PolarHBondContact O-N 2.9Å |
| 120 | S | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 157.7 | -175 | 68.5 | 0 | 0 | 0 | 0 | 113.8 | A103 S122 K123 L124 V150 | A103-S120 WeakPolarHBondContact O-CA 3.4Å; S120-S122 PolarHBondContact O-N 3.13Å; S120-S122 PolarHBondContact OG-N 3.17Å; S120-K123 PolarHBondContact O-N 2.94Å; S120-L124 PolarHBondContact N-O 2.98Å; S120-L124 PolarHBondContact OG-O 2.85Å; S120-V150 PolarHBondContact O-N 2.85Å |
| 121 | G | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 28.2 Ų | 28.2 | 8% | 0.082 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -14.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | R102 A103 K123 | R102-G121 WeakPolarHBondContact CD-O 3.45Å; A103-G121 PolarHBondContact O-N 3.31Å; G121-K123 PolarHBondContact O-N 2.9Å; G121-K123 VanDerWaalsContact O-N 3.13Å |
| 122 | S | 98.2 | Very high | 96.8 | Very high | 17 Ų | 17 | 33.5 Ų | 33.5 | 12% | 0.119 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 14.6 | 175.9 | -63.5 | 0 | 0 | 0 | 0 | 113.4 | I100 D101 R102 S120 L124 | I100-S122 WeakPolarHBondContact CB-OG 3.28Å; D101-S122 PolarHBondContact N-OG 2.85Å; D101-S122 VanDerWaalsContact OD1-CB 3.29Å; D101-S122 WeakPolarHBondContact OD1-CB 3.49Å; D101-S122 PolarHBondContact OD1-OG 2.82Å; R102-S122 PolarHBondContact N-OG 2.85Å; S120-S122 PolarHBondContact O-N 3.13Å; S120-S122 PolarHBondContact OG-N 3.17Å; S122-L124 VanDerWaalsContact C-N 3.29Å; S122-L124 PolarHBondContact O-N 2.8Å |
| 123 | K | 98.2 | Very high | 96.6 | Very high | 107 Ų | 107 | 36.4 Ų | 36.4 | 47% | 0.465 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 38.6 | 175.2 | -45.3 | 172.2 | 175.9 | -172.4 | 0 | 112.3 | S120 G121 I146 R147 S148 | S120-K123 PolarHBondContact O-N 2.94Å; G121-K123 PolarHBondContact O-N 2.9Å; G121-K123 VanDerWaalsContact O-N 3.13Å; K123-I146 HydrophobicContact CB-CG2 4.32Å; K123-I146 WeakPolarHBondContact O-CB 3.27Å; K123-I146 WeakPolarHBondContact O-CG2 3.24Å; K123-R147 VanDerWaalsContact CD-O 3.29Å; K123-R147 WeakPolarHBondContact CD-O 3.48Å; K123-R147 WeakPolarHBondContact CE-O 3.31Å; K123-S148 WeakPolarHBondContact CA-O 3.31Å |
| 124 | L | 98.1 | Very high | 96.2 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.047 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 157.3 | -178.2 | 66.8 | 84 | 0 | 0 | 0 | 111.6 | I100 S120 S122 A126 K141 I142 K143 | I100-L124 HydrophobicContact CG2-CD1 3.8Å; I100-L124 HydrophobicContact CG2-CD2 4.34Å; I100-L124 HydrophobicContact CG2-CG 4.34Å; S120-L124 PolarHBondContact N-O 2.98Å; S120-L124 PolarHBondContact OG-O 2.85Å; S122-L124 VanDerWaalsContact C-N 3.29Å; S122-L124 PolarHBondContact O-N 2.8Å; L124-A126 HydrophobicContact CD1-CB 4.32Å; L124-K141 HydrophobicContact CD1-CB 4.5Å; L124-K141 HydrophobicContact CD1-CG 4.21Å; L124-K141 HydrophobicContact CD2-CD 4.08Å; L124-K141 HydrophobicContact CD2-CG 4.39Å; L124-I142 WeakPolarHBondContact CA-O 3.34Å; L124-I142 WeakPolarHBondContact CB-O 3.39Å; L124-K143 HydrophobicContact CB-CG 3.95Å; L124-K143 HydrophobicContact CD2-CG 4.14Å |
| 125 | L | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 136.1 | 161.7 | -66.4 | 161.2 | 0 | 0 | 0 | 108.8 | V118 K141 I142 I146 V150 I153 L162 C164 F174 | V118-L125 CarbonylContact O-C 3.37Å; V118-L125 WeakPolarHBondContact O-CA 3.47Å; L125-K141 CarbonylContact O-C 3.53Å; L125-K141 VanDerWaalsContact O-CA 3.31Å; L125-K141 WeakPolarHBondContact O-CA 3.28Å; L125-I142 HydrophobicContact CB-CB 4.23Å; L125-I142 PolarHBondContact N-O 2.94Å; L125-I142 PolarHBondContact O-N 2.53Å; L125-I146 HydrophobicContact CD1-CD1 4.13Å; L125-I146 HydrophobicContact CG-CD1 4.05Å; L125-V150 HydrophobicContact CD2-CG1 3.73Å; L125-V150 HydrophobicContact CD2-CG2 4.37Å; L125-V150 HydrophobicContact CG-CG1 4.49Å; L125-V150 HydrophobicContact CG-CG2 4.32Å; L125-I153 HydrophobicContact CD2-CG2 3.44Å; L125-I153 VanDerWaalsContact CD2-CG2 3.44Å; L125-L162 HydrophobicContact CD1-CD2 3.96Å; L125-L162 HydrophobicContact CD2-CD2 4.11Å; L125-L162 HydrophobicContact CG-CD2 4.45Å; L125-C164 HydrophobicContact CD1-CB 4.03Å; L125-C164 HydrophobicContact CD2-CB 4.05Å; L125-C164 HydrophobicContact CG-CB 4.48Å; L125-F174 HydrophobicContact CD1-CD2 3.65Å; L125-F174 HydrophobicContact CD1-CE2 3.97Å |
| 126 | A | 97.5 | Very high | 95.7 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 122 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | L98 A117 V118 L124 K140 | L98-A126 HydrophobicContact CD2-CB 4.07Å; A117-A126 CarbonylContact C-O 3.53Å; A117-A126 VanDerWaalsContact CA-O 3.25Å; A117-A126 WeakPolarHBondContact CA-O 3.28Å; V118-A126 HydrophobicContact CB-CB 4.41Å; V118-A126 PolarHBondContact N-O 3.01Å; V118-A126 PolarHBondContact O-N 2.98Å; L124-A126 HydrophobicContact CD1-CB 4.32Å; A126-K140 CarbonylContact C-O 3.53Å; A126-K140 WeakPolarHBondContact CA-O 3.39Å |
| 127 | V | 97.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 118.4 | 170.6 | -179.9 | 0 | 0 | 0 | 0 | 107.1 | W129 G139 K140 I142 W155 L162 T176 | V127-W129 WeakPolarHBondContact O-CZ3 3.25Å; V127-G139 CarbonylContact O-C 3.59Å; V127-G139 WeakPolarHBondContact O-CA 3.12Å; V127-K140 PolarHBondContact N-O 3.45Å; V127-K140 PolarHBondContact O-N 2.82Å; V127-I142 HydrophobicContact CG2-CD1 4.08Å; V127-W155 HydrophobicContact CG1-CH2 4.14Å; V127-L162 HydrophobicContact CG2-CD2 4.37Å; V127-T176 HydrophobicContact CG1-CG2 4.42Å; V127-T176 HydrophobicContact CG2-CG2 3.75Å |
| 128 | C | 96.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 139.9 | -171 | -62.7 | 0 | 0 | 0 | 0 | 112 | V96 R115 F116 I138 | V96-C128 HydrophobicContact CG1-CB 4.24Å; R115-C128 CarbonylContact C-O 3.57Å; R115-C128 WeakPolarHBondContact CA-O 3.48Å; R115-C128 WeakPolarHBondContact CB-O 3.07Å; R115-C128 WeakPolarHBondContact CG-O 3.28Å; F116-C128 HydrophobicContact CD1-CB 4.24Å; F116-C128 HydrophobicContact CD2-CB 3.86Å; F116-C128 HydrophobicContact CE1-CB 3.83Å; F116-C128 HydrophobicContact CE2-CB 3.37Å; F116-C128 HydrophobicContact CG-CB 4.25Å; F116-C128 HydrophobicContact CZ-CB 3.33Å; F116-C128 PolarHBondContact N-O 2.91Å; F116-C128 PolarHBondContact O-N 3.03Å; C128-I138 CarbonylContact C-O 3.57Å; C128-I138 WeakPolarHBondContact CA-O 3.43Å |
| 129 | W | 94.9 | Very high | 94.8 | Very high | 58 Ų | 58 | 47.2 Ų | 47.2 | 22% | 0.22 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 161.7 | 171.2 | 63.4 | 97.9 | 0 | 0 | 0 | 109.9 | R115 V127 W137 I138 K140 | R115-W129 HydrophobicContact CG-CB 3.72Å; V127-W129 WeakPolarHBondContact O-CZ3 3.25Å; W129-W137 CarbonylContact O-C 3.59Å; W129-W137 WeakPolarHBondContact O-CA 3.34Å; W129-I138 HydrophobicContact CH2-CG2 4.17Å; W129-I138 HydrophobicContact CZ2-CB 4.18Å; W129-I138 HydrophobicContact CZ2-CG2 3.97Å; W129-I138 PolarHBondContact N-O 3.04Å; W129-I138 PolarHBondContact O-N 3.07Å; W129-K140 HydrophobicContact CH2-CB 3.98Å; W129-K140 HydrophobicContact CH2-CD 3.45Å; W129-K140 VanDerWaalsContact CH2-CD 3.45Å; W129-K140 HydrophobicContact CH2-CG 3.56Å; W129-K140 HydrophobicContact CZ2-CD 4.49Å; W129-K140 HydrophobicContact CZ3-CB 3.86Å; W129-K140 HydrophobicContact CZ3-CD 3.97Å; W129-K140 HydrophobicContact CZ3-CG 3.99Å |
| 130 | F | 94.2 | Very high | 94.5 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 30% | 0.298 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 129.3 | 175.8 | -170 | -105 | 0 | 0 | 0 | 109.8 | E132 D135 W137 | F130-E132 HydrophobicContact CD1-CG 4.07Å; F130-E132 HydrophobicContact CE1-CG 4.26Å; F130-D135 WeakPolarHBondContact CZ-OD1 3.31Å; F130-W137 HydrophobicContact CB-CD2 4.07Å; F130-W137 HydrophobicContact CB-CE3 3.99Å; F130-W137 HydrophobicContact CB-CH2 3.94Å; F130-W137 HydrophobicContact CB-CZ2 4Å; F130-W137 HydrophobicContact CB-CZ3 3.94Å; F130-W137 AromaticContact CD2-CD1 3.82Å; F130-W137 AromaticContact CD2-CD2 3.96Å; F130-W137 HydrophobicContact CD2-CD2 3.96Å; F130-W137 AromaticContact CD2-CE2 3.67Å; F130-W137 HydrophobicContact CD2-CG 4.05Å; F130-W137 HydrophobicContact CD2-CZ2 4.19Å; F130-W137 AromaticContact CD2-NE1 3.57Å; F130-W137 HydrophobicContact CG-CZ2 4.44Å; F130-W137 VanDerWaalsContact N-CE3 3.31Å |
| 131 | D | 92.1 | Very high | 94.4 | Very high | 34 Ų | 34 | 54.3 Ų | 54.3 | 18% | 0.182 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 109 | 173.4 | -179.6 | 35.2 | 0 | 0 | 0 | 109.7 | E133 S134 D135 W136 I138 | D131-E133 VanDerWaalsContact C-N 3.3Å; D131-E133 PolarHBondContact O-N 2.91Å; D131-S134 PolarHBondContact O-N 2.79Å; D131-S134 WeakPolarHBondContact OD2-CB 3.4Å; D131-S134 PolarHBondContact OD2-N 2.71Å; D131-S134 PolarHBondContact OD2-OG 3.01Å; D131-D135 WeakPolarHBondContact O-CA 3.36Å; D131-D135 PolarHBondContact O-N 2.9Å; D131-W136 PolarHBondContact N-O 3.34Å; D131-W136 PolarHBondContact O-N 2.71Å; D131-I138 HydrophobicContact CB-CD1 3.46Å; D131-I138 VanDerWaalsContact CB-CD1 3.46Å; D131-I138 HydrophobicContact CB-CG1 3.73Å |
| 132 | E | 92.1 | Very high | 94.4 | Very high | 171 Ų | 171 | 54.1 Ų | 54.1 | 80% | 0.799 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -30.7 | -176.6 | -65.9 | -175.5 | 174.5 | 0 | 0 | 112.5 | F130 | F130-E132 HydrophobicContact CD1-CG 4.07Å; F130-E132 HydrophobicContact CE1-CG 4.26Å |
| 133 | E | 91.9 | Very high | 94.3 | Very high | 188 Ų | 188 | 59.1 Ų | 59.1 | 88% | 0.879 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -40.4 | 179.5 | -66.2 | -173.6 | 176.9 | 0 | 0 | 111.6 | D131 | D131-E133 VanDerWaalsContact C-N 3.3Å; D131-E133 PolarHBondContact O-N 2.91Å |
| 134 | S | 88.7 | Confident | 94.2 | Very high | 62 Ų | 62 | 62.8 Ų | 62.8 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -11.8 | -179.1 | -50.5 | 0 | 0 | 0 | 0 | 114.1 | D131 W136 | D131-S134 PolarHBondContact O-N 2.79Å; D131-S134 WeakPolarHBondContact OD2-CB 3.4Å; D131-S134 PolarHBondContact OD2-N 2.71Å; D131-S134 PolarHBondContact OD2-OG 3.01Å; S134-W136 VanDerWaalsContact O-CD1 3.23Å |
| 135 | D | 89.6 | Confident | 94.1 | Very high | 125 Ų | 125 | 64.3 Ų | 64.3 | 67% | 0.668 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 37.2 | -176.8 | -165.8 | 37.3 | 0 | 0 | 0 | 114.2 | F130 D131 | F130-D135 WeakPolarHBondContact CZ-OD1 3.31Å; D131-D135 WeakPolarHBondContact O-CA 3.36Å; D131-D135 PolarHBondContact O-N 2.9Å |
| 136 | W | 91.5 | Very high | 94.1 | Very high | 92 Ų | 92 | 64.9 Ų | 64.9 | 35% | 0.348 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 168.5 | 174.8 | 65.9 | -87.5 | 0 | 0 | 0 | 113.9 | L97 D131 S134 I138 | L97-W136 HydrophobicContact CB-CE3 4.47Å; L97-W136 HydrophobicContact CB-CZ3 4.01Å; L97-W136 HydrophobicContact CD1-CE3 3.93Å; L97-W136 HydrophobicContact CD1-CH2 4.31Å; L97-W136 HydrophobicContact CD1-CZ3 3.72Å; L97-W136 HydrophobicContact CG-CE3 4.3Å; L97-W136 HydrophobicContact CG-CZ3 4.2Å; D131-W136 PolarHBondContact N-O 3.34Å; D131-W136 PolarHBondContact O-N 2.71Å; S134-W136 VanDerWaalsContact O-CD1 3.23Å; W136-I138 HydrophobicContact CD2-CG1 4.24Å; W136-I138 HydrophobicContact CE3-CG1 4.05Å; W136-I138 HydrophobicContact CH2-CB 4.17Å; W136-I138 HydrophobicContact CH2-CD1 4.17Å; W136-I138 HydrophobicContact CH2-CG1 3.57Å; W136-I138 HydrophobicContact CH2-CG2 4.23Å; W136-I138 HydrophobicContact CZ2-CD1 4.02Å; W136-I138 HydrophobicContact CZ2-CG1 3.79Å; W136-I138 HydrophobicContact CZ3-CB 4.11Å; W136-I138 HydrophobicContact CZ3-CG1 3.71Å |
| 137 | W | 93.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 114 | -177.9 | -71.5 | 91.3 | 0 | 0 | 0 | 113.4 | V82 V96 W109 F116 W129 F130 | V82-W137 HydrophobicContact CB-CZ2 4.05Å; V82-W137 HydrophobicContact CG1-CZ2 3.75Å; V82-W137 HydrophobicContact CG2-CD2 4.05Å; V82-W137 HydrophobicContact CG2-CH2 4.31Å; V82-W137 HydrophobicContact CG2-CZ2 3.77Å; V96-W137 HydrophobicContact CB-CB 4.23Å; V96-W137 HydrophobicContact CG1-CB 4.01Å; V96-W137 HydrophobicContact CG2-CB 3.97Å; V96-W137 HydrophobicContact CG2-CG 4.05Å; W109-W137 AromaticContact CH2-CH2 3.55Å; W109-W137 HydrophobicContact CH2-CH2 3.55Å; W109-W137 HydrophobicContact CH2-CZ2 4.06Å; W109-W137 HydrophobicContact CH2-CZ3 4.26Å; W109-W137 AromaticContact CZ3-CH2 3.71Å; W109-W137 HydrophobicContact CZ3-CH2 3.71Å; W109-W137 HydrophobicContact CZ3-CZ3 4.17Å; F116-W137 HydrophobicContact CD1-CE3 4.15Å; F116-W137 HydrophobicContact CD1-CH2 4.36Å; F116-W137 AromaticContact CD1-CZ3 3.77Å; F116-W137 HydrophobicContact CD1-CZ3 3.77Å; F116-W137 AromaticContact CE1-CD2 3.92Å; F116-W137 HydrophobicContact CE1-CD2 3.92Å; F116-W137 AromaticContact CE1-CE3 3.31Å; F116-W137 HydrophobicContact CE1-CE3 3.31Å; F116-W137 HydrophobicContact CE1-CH2 4.06Å; F116-W137 AromaticContact CE1-CZ3 3.38Å; F116-W137 HydrophobicContact CE1-CZ3 3.38Å; F116-W137 HydrophobicContact CZ-CD2 4.48Å; F116-W137 HydrophobicContact CZ-CE3 4.07Å; W129-W137 CarbonylContact O-C 3.59Å; W129-W137 WeakPolarHBondContact O-CA 3.34Å; F130-W137 HydrophobicContact CB-CD2 4.07Å; F130-W137 HydrophobicContact CB-CE3 3.99Å; F130-W137 HydrophobicContact CB-CH2 3.94Å; F130-W137 HydrophobicContact CB-CZ2 4Å; F130-W137 HydrophobicContact CB-CZ3 3.94Å; F130-W137 AromaticContact CD2-CD1 3.82Å; F130-W137 AromaticContact CD2-CD2 3.96Å; F130-W137 HydrophobicContact CD2-CD2 3.96Å; F130-W137 AromaticContact CD2-CE2 3.67Å; F130-W137 HydrophobicContact CD2-CG 4.05Å; F130-W137 HydrophobicContact CD2-CZ2 4.19Å; F130-W137 AromaticContact CD2-NE1 3.57Å; F130-W137 HydrophobicContact CG-CZ2 4.44Å; F130-W137 VanDerWaalsContact N-CE3 3.31Å |
| 138 | I | 90.5 | Very high | 94.2 | Very high | 39 Ų | 39 | 75.6 Ų | 75.6 | 20% | 0.2 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 143.5 | 178.4 | -50.9 | -169.5 | 0 | 0 | 0 | 110.5 | C128 W129 D131 W136 | C128-I138 CarbonylContact C-O 3.57Å; C128-I138 WeakPolarHBondContact CA-O 3.43Å; W129-I138 HydrophobicContact CH2-CG2 4.17Å; W129-I138 HydrophobicContact CZ2-CB 4.18Å; W129-I138 HydrophobicContact CZ2-CG2 3.97Å; W129-I138 PolarHBondContact N-O 3.04Å; W129-I138 PolarHBondContact O-N 3.07Å; D131-I138 HydrophobicContact CB-CD1 3.46Å; D131-I138 VanDerWaalsContact CB-CD1 3.46Å; D131-I138 HydrophobicContact CB-CG1 3.73Å; W136-I138 HydrophobicContact CD2-CG1 4.24Å; W136-I138 HydrophobicContact CE3-CG1 4.05Å; W136-I138 HydrophobicContact CH2-CB 4.17Å; W136-I138 HydrophobicContact CH2-CD1 4.17Å; W136-I138 HydrophobicContact CH2-CG1 3.57Å; W136-I138 HydrophobicContact CH2-CG2 4.23Å; W136-I138 HydrophobicContact CZ2-CD1 4.02Å; W136-I138 HydrophobicContact CZ2-CG1 3.79Å; W136-I138 HydrophobicContact CZ3-CB 4.11Å; W136-I138 HydrophobicContact CZ3-CG1 3.71Å |
| 139 | G | 91.5 | Very high | 94.3 | Very high | 6 Ų | 6 | 77.6 Ų | 77.6 | 6% | 0.062 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V127 | V127-G139 CarbonylContact O-C 3.59Å; V127-G139 WeakPolarHBondContact O-CA 3.12Å |
| 140 | K | 94 | Very high | 94.5 | Very high | 85 Ų | 85 | 74.9 Ų | 74.9 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 140.9 | 165.7 | -91.8 | 171.2 | -166.8 | 176.5 | 0 | 111 | A126 V127 W129 L193 | A126-K140 CarbonylContact C-O 3.53Å; A126-K140 WeakPolarHBondContact CA-O 3.39Å; V127-K140 PolarHBondContact N-O 3.45Å; V127-K140 PolarHBondContact O-N 2.82Å; W129-K140 HydrophobicContact CH2-CB 3.98Å; W129-K140 HydrophobicContact CH2-CD 3.45Å; W129-K140 VanDerWaalsContact CH2-CD 3.45Å; W129-K140 HydrophobicContact CH2-CG 3.56Å; W129-K140 HydrophobicContact CZ2-CD 4.49Å; W129-K140 HydrophobicContact CZ3-CB 3.86Å; W129-K140 HydrophobicContact CZ3-CD 3.97Å; W129-K140 HydrophobicContact CZ3-CG 3.99Å; K140-L193 HydrophobicContact CB-CD1 4.27Å; K140-L193 HydrophobicContact CB-CD2 4.45Å; K140-L193 HydrophobicContact CD-CD1 3.77Å |
| 141 | K | 96.1 | Very high | 94.7 | Very high | 65 Ų | 65 | 73 Ų | 73 | 28% | 0.283 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131 | -172.7 | -61.7 | 169.5 | 179.5 | 175.8 | 0 | 112 | L98 M99 L124 L125 K143 | L98-K141 WeakPolarHBondContact O-CE 3.47Å; M99-K141 WeakPolarHBondContact O-CE 3.48Å; M99-K141 PolarHBondContact O-NZ 2.85Å; L124-K141 HydrophobicContact CD1-CB 4.5Å; L124-K141 HydrophobicContact CD1-CG 4.21Å; L124-K141 HydrophobicContact CD2-CD 4.08Å; L124-K141 HydrophobicContact CD2-CG 4.39Å; L125-K141 CarbonylContact O-C 3.53Å; L125-K141 VanDerWaalsContact O-CA 3.31Å; L125-K141 WeakPolarHBondContact O-CA 3.28Å; K141-K143 HydrophobicContact CB-CG 4.22Å |
| 142 | I | 97.1 | Very high | 95 | Very high | 5 Ų | 5 | 72 Ų | 72 | 3% | 0.026 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 103.7 | 166 | -54 | 171.4 | 0 | 0 | 0 | 106.9 | L124 L125 V127 F174 L193 | L124-I142 WeakPolarHBondContact CA-O 3.34Å; L124-I142 WeakPolarHBondContact CB-O 3.39Å; L125-I142 HydrophobicContact CB-CB 4.23Å; L125-I142 PolarHBondContact N-O 2.94Å; L125-I142 PolarHBondContact O-N 2.53Å; V127-I142 HydrophobicContact CG2-CD1 4.08Å; I142-F174 HydrophobicContact CD1-CB 3.91Å; I142-F174 HydrophobicContact CD1-CG 4.39Å; I142-F174 HydrophobicContact CG2-CD1 3.72Å; I142-F174 HydrophobicContact CG2-CD2 4.29Å; I142-F174 HydrophobicContact CG2-CE1 3.87Å; I142-F174 HydrophobicContact CG2-CE2 4.42Å; I142-F174 HydrophobicContact CG2-CG 3.93Å; I142-F174 HydrophobicContact CG2-CZ 4.21Å; I142-L193 HydrophobicContact CG1-CD2 4.29Å |
| 143 | K | 96.8 | Very high | 95.3 | Very high | 121 Ų | 121 | 64.1 Ų | 64.1 | 53% | 0.526 | 31% | 0.308 | S | S | . | . | trans | -100.2 | -43.2 | -175.6 | -64.6 | -176.7 | 177.1 | -178 | 0 | 113.3 | L124 K141 I146 | L124-K143 HydrophobicContact CB-CG 3.95Å; L124-K143 HydrophobicContact CD2-CG 4.14Å; K141-K143 HydrophobicContact CB-CG 4.22Å; K143-I146 WeakPolarHBondContact O-CB 3.44Å; K143-I146 PolarHBondContact O-N 3.09Å; K143-I146 VanDerWaalsContact O-N 3.13Å | ||
| 144 | K | 95.8 | Very high | 95.7 | Very high | 184 Ų | 184 | 55.8 Ų | 55.8 | 80% | 0.8 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -95.9 | 142.8 | -176.6 | -68.5 | -175.4 | 178.8 | 179.8 | 0 | 110 | ||
| 145 | P | 96.6 | Very high | 96.1 | Very high | 42 Ų | 42 | 53.2 Ų | 53.2 | 27% | 0.273 | 25% | 0.25 | S | S | . | . | S | Bend | cis | -92.5 | 18.4 | -1.2 | 37 | -36.2 | 0 | 0 | 0 | 115 | R147 M196 | P145-R147 WeakPolarHBondContact O-CG 3.44Å; P145-R147 PolarHBondContact O-N 3.01Å; P145-M196 VanDerWaalsContact CD-SD 3.57Å; P145-M196 HydrophobicContact CG-CE 4.02Å; P145-M196 HydrophobicContact CG-SD 3.45Å; P145-M196 WeakPolarHBondContact CG-SD 3.19Å |
| 146 | I | 98.2 | Very high | 96.5 | Very high | 11 Ų | 11 | 47.7 Ų | 47.7 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | trans | -57.1 | 126.6 | -174.6 | -55.6 | 171.8 | 0 | 0 | 0 | 111.5 | K123 L125 K143 S148 V150 F174 | K123-I146 HydrophobicContact CB-CG2 4.32Å; K123-I146 WeakPolarHBondContact O-CB 3.27Å; K123-I146 WeakPolarHBondContact O-CG2 3.24Å; L125-I146 HydrophobicContact CD1-CD1 4.13Å; L125-I146 HydrophobicContact CG-CD1 4.05Å; K143-I146 WeakPolarHBondContact O-CB 3.44Å; K143-I146 PolarHBondContact O-N 3.09Å; K143-I146 VanDerWaalsContact O-N 3.13Å; I146-S148 VanDerWaalsContact CG2-O 3.26Å; I146-S148 WeakPolarHBondContact CG2-O 3.32Å; I146-V150 HydrophobicContact CD1-CG2 3.96Å; I146-V150 HydrophobicContact CG2-CG2 3.9Å; I146-F174 HydrophobicContact CD1-CE2 4.04Å; I146-F174 HydrophobicContact CD1-CZ 4.26Å; I146-F174 HydrophobicContact CG1-CE2 4.22Å; I146-F174 HydrophobicContact CG1-CZ 4.06Å | ||
| 147 | R | 97.8 | Very high | 96.8 | Very high | 192 Ų | 192 | 45.9 Ų | 45.9 | 73% | 0.725 | 22% | 0.221 | S | C | * | . | trans | -113.3 | -10.8 | -173.6 | -56.7 | -165.8 | 176.3 | 174.5 | -1.8 | 114.8 | K123 P145 D168 | K123-R147 VanDerWaalsContact CD-O 3.29Å; K123-R147 WeakPolarHBondContact CD-O 3.48Å; K123-R147 WeakPolarHBondContact CE-O 3.31Å; P145-R147 WeakPolarHBondContact O-CG 3.44Å; P145-R147 PolarHBondContact O-N 3.01Å; R147-D168 HydrophobicContact CB-CB 4.05Å; R147-D168 PolarHBondContact N-OD2 2.99Å | ||
| 148 | S | 98.2 | Very high | 96.9 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 25% | 0.252 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -144.8 | -176.6 | -180 | -159.4 | 0 | 0 | 0 | 0 | 111.1 | K123 I146 V150 S167 | K123-S148 WeakPolarHBondContact CA-O 3.31Å; I146-S148 VanDerWaalsContact CG2-O 3.26Å; I146-S148 WeakPolarHBondContact CG2-O 3.32Å; S148-V150 PolarHBondContact O-N 2.84Å; S148-S167 WeakPolarHBondContact OG-CB 3.29Å |
| 149 | T | 98.6 | Very high | 97.1 | Very high | 42 Ų | 42 | 46.8 Ų | 46.8 | 26% | 0.258 | 23% | 0.226 | S | C | . | . | trans | -51 | 130 | 178.6 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | V105 T151 S166 S167 | V105-T149 HydrophobicContact CG2-CG2 3.83Å; T149-T151 HydrophobicContact CG2-CG2 4.33Å; T149-S166 CarbonylContact O-C 3.5Å; T149-S166 WeakPolarHBondContact O-CA 3.47Å; T149-S166 VanDerWaalsContact O-CB 3.25Å; T149-S166 WeakPolarHBondContact O-CB 3.2Å; T149-S167 PolarHBondContact O-N 3.45Å | ||
| 150 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 117.8 | 166.1 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | S120 L125 I146 S148 I153 C164 | S120-V150 PolarHBondContact O-N 2.85Å; L125-V150 HydrophobicContact CD2-CG1 3.73Å; L125-V150 HydrophobicContact CD2-CG2 4.37Å; L125-V150 HydrophobicContact CG-CG1 4.49Å; L125-V150 HydrophobicContact CG-CG2 4.32Å; I146-V150 HydrophobicContact CD1-CG2 3.96Å; I146-V150 HydrophobicContact CG2-CG2 3.9Å; S148-V150 PolarHBondContact O-N 2.84Å; V150-I153 HydrophobicContact CG1-CG2 3.89Å; V150-C164 HydrophobicContact CG1-CB 3.92Å |
| 151 | T | 98.7 | Very high | 97.5 | Very high | 30 Ų | 30 | 43.1 Ų | 43.1 | 18% | 0.184 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -33.4 | -169.5 | 45.1 | 0 | 0 | 0 | 0 | 112.5 | T149 G165 S167 V208 | T149-T151 HydrophobicContact CG2-CG2 4.33Å; T151-G165 PolarHBondContact N-O 2.87Å; T151-G165 PolarHBondContact OG1-O 3.38Å; T151-S167 VanDerWaalsContact CG2-OG 3.28Å; T151-S167 WeakPolarHBondContact CG2-OG 3.47Å; T151-V208 WeakPolarHBondContact CB-O 3.36Å; T151-V208 PolarHBondContact OG1-O 2.68Å |
| 152 | C | 98.8 | Very high | 97.6 | Very high | 11 Ų | 11 | 40 Ų | 40 | 7% | 0.074 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 153.3 | -178 | 57.8 | 0 | 0 | 0 | 0 | 110.8 | C164 G165 L209 S210 V211 | C152-C164 CarbonylContact O-C 3.5Å; C152-C164 VanDerWaalsContact O-CA 3.25Å; C152-C164 WeakPolarHBondContact O-CA 3.36Å; C152-G165 PolarHBondContact O-N 3Å; C152-G165 VanDerWaalsContact SG-CA 3.58Å; C152-L209 WeakPolarHBondContact CB-O 3.26Å; C152-S210 VanDerWaalsContact SG-CA 3.55Å; C152-V211 HydrophobicContact CB-CG2 4.36Å |
| 153 | I | 98.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.036 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 152.6 | 179 | 58.7 | 177.4 | 0 | 0 | 0 | 110.3 | C106 K108 A117 L125 V150 L162 A163 C164 | C106-I153 HydrophobicContact CB-CG1 4.31Å; K108-I153 HydrophobicContact CB-CD1 4.13Å; K108-I153 HydrophobicContact CB-CG1 4.25Å; K108-I153 HydrophobicContact CG-CD1 4.23Å; K108-I153 HydrophobicContact CG-CG1 3.88Å; A117-I153 HydrophobicContact CB-CD1 3.94Å; A117-I153 WeakPolarHBondContact O-CD1 3.3Å; L125-I153 HydrophobicContact CD2-CG2 3.44Å; L125-I153 VanDerWaalsContact CD2-CG2 3.44Å; V150-I153 HydrophobicContact CG1-CG2 3.89Å; I153-L162 HydrophobicContact CB-CD1 4.27Å; I153-A163 VanDerWaalsContact CA-O 3.27Å; I153-A163 WeakPolarHBondContact CA-O 3.47Å; I153-C164 HydrophobicContact CG2-CB 3.99Å |
| 154 | D | 98.9 | Very high | 97.8 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 7% | 0.07 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 137.3 | 169.3 | -171.3 | 37.5 | 0 | 0 | 0 | 110.9 | A163 V211 S212 F213 R340 | D154-A163 PolarHBondContact N-O 2.59Å; D154-A163 PolarHBondContact O-N 3.15Å; D154-V211 HydrophobicContact CB-CG2 3.9Å; D154-S212 WeakPolarHBondContact OD2-CA 3.36Å; D154-F213 HydrophobicContact CB-CD2 4.48Å; D154-F213 PolarHBondContact OD2-N 2.79Å; D154-R340 IonicContact OD1-CZ 3.7Å; D154-R340 IonicContact OD1-NH1 2.68Å; D154-R340 IonicContact OD1-NH2 2.79Å; D154-R340 PolarHBondContact OD1-NH2 2.81Å; D154-R340 IonicContact OD2-CZ 3.36Å; D154-R340 IonicContact OD2-NH1 3.19Å; D154-R340 PolarHBondContact OD2-NH1 3.08Å; D154-R340 IonicContact OD2-NH2 3.59Å; D154-R340 PolarHBondContact OD2-NH2 3.47Å |
| 155 | W | 98.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 3% | 0.03 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 139.4 | 178 | -75.3 | 91.2 | 0 | 0 | 0 | 110.7 | K108 W109 P111 R115 A117 V127 L162 T176 | K108-W155 PolarHBondContact O-NE1 3.36Å; W109-W155 PolarHBondContact O-NE1 3.37Å; P111-W155 HydrophobicContact CG-CB 4.24Å; R115-W155 HydrophobicContact CB-CH2 4.06Å; R115-W155 HydrophobicContact CB-CZ2 4.31Å; A117-W155 HydrophobicContact CB-CZ2 3.64Å; V127-W155 HydrophobicContact CG1-CH2 4.14Å; W155-L162 HydrophobicContact CD2-CD1 3.9Å; W155-L162 HydrophobicContact CG-CD1 3.99Å; W155-T176 HydrophobicContact CH2-CG2 3.95Å; W155-T176 HydrophobicContact CZ3-CG2 3.88Å; W155-T176 VanDerWaalsContact CZ3-OG1 3.31Å; W155-T176 WeakPolarHBondContact CZ3-OG1 3.19Å |
| 156 | H | 98.3 | Very high | 98 | Very high | 8 Ų | 8 | 23.4 Ų | 23.4 | 4% | 0.037 | 12% | 0.12 | C | C | . | . | trans | -73 | 144.2 | 170.2 | -176 | -80 | 0 | 0 | 0 | 109.8 | P111 N158 N159 L161 W187 F213 G217 | P111-H156 WeakPolarHBondContact CG-O 3.39Å; H156-N158 VanDerWaalsContact CE1-CG 3.49Å; H156-N158 PolarHBondContact CE1-ND2 2.83Å; H156-N158 WeakPolarHBondContact ND1-CB 3.14Å; H156-N158 PolarHBondContact ND1-N 3.46Å; H156-N158 VanDerWaalsContact ND1-N 3.12Å; H156-N158 PolarHBondContact ND1-ND2 2.96Å; H156-N158 PolarHBondContact ND1-OD1 3.01Å; H156-N158 PolarHBondContact O-N 3.29Å; H156-N159 PolarHBondContact O-N 3.04Å; H156-L161 HydrophobicContact CB-CB 3.57Å; H156-L161 HydrophobicContact CB-CG 4.47Å; H156-L161 WeakPolarHBondContact CB-O 3.4Å; H156-L161 PolarHBondContact N-O 3.39Å; H156-W187 AromaticContact CD2-CD1 3.93Å; H156-W187 AromaticContact CD2-NE1 3.82Å; H156-W187 AromaticContact NE2-CD1 3.82Å; H156-W187 AromaticContact NE2-NE1 3.82Å; H156-F213 HydrophobicContact CB-CD2 3.98Å; H156-F213 HydrophobicContact CB-CE1 4.45Å; H156-F213 HydrophobicContact CB-CE2 3.71Å; H156-F213 HydrophobicContact CB-CG 4.42Å; H156-F213 HydrophobicContact CB-CZ 3.97Å; H156-F213 AromaticContact CD2-CD1 3.8Å; H156-F213 AromaticContact CD2-CE1 3.66Å; H156-F213 AromaticContact CD2-CZ 3.99Å; H156-G217 PolarHBondContact CD2-O 3.24Å; H156-G217 WeakPolarHBondContact NE2-CA 3.16Å; H156-G217 PolarHBondContact NE2-O 3.15Å; H156-G217 VanDerWaalsContact NE2-O 3.17Å | ||
| 157 | P | 97.3 | Very high | 98 | Very high | 55 Ų | 55 | 23.8 Ų | 23.8 | 36% | 0.357 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -25 | -176 | 20.4 | -34.7 | 0 | 0 | 0 | 114.7 | N159 A215 | P157-N159 PolarHBondContact O-N 2.85Å; P157-N159 VanDerWaalsContact O-N 3.15Å; P157-A215 WeakPolarHBondContact CG-O 3.44Å |
| 158 | N | 95.3 | Very high | 98 | Very high | 53 Ų | 53 | 15.7 Ų | 15.7 | 28% | 0.283 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | 2.3 | 174 | 76.3 | -2.5 | 0 | 0 | 0 | 115.1 | H156 V160 L161 H190 | H156-N158 VanDerWaalsContact CE1-CG 3.49Å; H156-N158 PolarHBondContact CE1-ND2 2.83Å; H156-N158 WeakPolarHBondContact ND1-CB 3.14Å; H156-N158 PolarHBondContact ND1-N 3.46Å; H156-N158 VanDerWaalsContact ND1-N 3.12Å; H156-N158 PolarHBondContact ND1-ND2 2.96Å; H156-N158 PolarHBondContact ND1-OD1 3.01Å; H156-N158 PolarHBondContact O-N 3.29Å; N158-V160 WeakPolarHBondContact O-CG2 3.49Å; N158-V160 PolarHBondContact O-N 3.04Å; N158-V160 PolarHBondContact OD1-N 3.23Å; N158-L161 PolarHBondContact OD1-N 3.33Å; N158-H190 PolarHBondContact ND2-CE1 2.73Å; N158-H190 VanDerWaalsContact ND2-CE1 3.29Å |
| 159 | N | 95.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 17.6 Ų | 17.6 | 4% | 0.043 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 65.2 | 4.1 | -179.3 | -155.4 | 63.4 | 0 | 0 | 0 | 115.2 | S110 P111 L112 D114 R115 H156 P157 | S110-N159 WeakPolarHBondContact CB-OD1 3.25Å; S110-N159 PolarHBondContact OG-OD1 2.99Å; P111-N159 VanDerWaalsContact CD-OD1 3.22Å; P111-N159 WeakPolarHBondContact CD-OD1 3.19Å; P111-N159 VanDerWaalsContact N-OD1 3.12Å; L112-N159 HydrophobicContact CD1-CB 3.99Å; L112-N159 WeakPolarHBondContact CD1-ND2 3.38Å; L112-N159 HydrophobicContact CG-CB 3.85Å; L112-N159 VanDerWaalsContact CG-CG 3.47Å; L112-N159 PolarHBondContact N-OD1 3.14Å; D114-N159 PolarHBondContact OD1-ND2 2.97Å; D114-N159 PolarHBondContact OD1-OD1 2.8Å; D114-N159 PolarHBondContact OD2-ND2 2.64Å; R115-N159 PolarHBondContact NH2-ND2 2.77Å; R115-N159 PolarHBondContact NH2-O 2.86Å; H156-N159 PolarHBondContact O-N 3.04Å; P157-N159 PolarHBondContact O-N 2.85Å; P157-N159 VanDerWaalsContact O-N 3.15Å |
| 160 | V | 95.5 | Very high | 98.1 | Very high | 15 Ų | 15 | 18 Ų | 18 | 9% | 0.091 | 10% | 0.097 | C | C | . | . | S | Bend | trans | -111.2 | -37.9 | -171.6 | 174.2 | 0 | 0 | 0 | 0 | 112.4 | N158 T176 F177 H190 | N158-V160 WeakPolarHBondContact O-CG2 3.49Å; N158-V160 PolarHBondContact O-N 3.04Å; N158-V160 PolarHBondContact OD1-N 3.23Å; V160-T176 WeakPolarHBondContact O-CB 3.24Å; V160-T176 PolarHBondContact O-N 3.5Å; V160-T176 PolarHBondContact O-OG1 3.44Å; V160-F177 HydrophobicContact CG1-CB 3.69Å; V160-F177 HydrophobicContact CG1-CD2 4.12Å; V160-F177 HydrophobicContact CG1-CG 4.17Å; V160-F177 HydrophobicContact CG2-CD2 3.88Å; V160-F177 HydrophobicContact CG2-CE2 4.39Å; V160-H190 HydrophobicContact CG1-CB 3.68Å |
| 161 | L | 97.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 149.7 | -177.9 | -52.8 | 178.7 | 0 | 0 | 0 | 111.9 | H156 N158 I173 F174 S185 W187 L197 | H156-L161 HydrophobicContact CB-CB 3.57Å; H156-L161 HydrophobicContact CB-CG 4.47Å; H156-L161 WeakPolarHBondContact CB-O 3.4Å; H156-L161 PolarHBondContact N-O 3.39Å; N158-L161 PolarHBondContact OD1-N 3.33Å; L161-I173 HydrophobicContact CB-CG2 3.89Å; L161-I173 HydrophobicContact CD1-CG2 4.23Å; L161-I173 HydrophobicContact CG-CG2 4.48Å; L161-F174 WeakPolarHBondContact CA-O 3.45Å; L161-S185 WeakPolarHBondContact CD1-OG 3.33Å; L161-W187 HydrophobicContact CD1-CB 3.9Å; L161-W187 HydrophobicContact CD1-CG 4.11Å; L161-L197 HydrophobicContact CD1-CD2 3.99Å; L161-L197 HydrophobicContact CD2-CD1 4.4Å; L161-L197 HydrophobicContact CD2-CD2 3.58Å; L161-L197 HydrophobicContact CG-CD2 4.44Å |
| 162 | L | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 116.7 | 178.9 | -178.4 | 68.6 | 0 | 0 | 0 | 109.1 | A117 L125 V127 I153 W155 I173 F174 T176 | A117-L162 HydrophobicContact CB-CD1 3.77Å; A117-L162 HydrophobicContact CB-CD2 3.46Å; A117-L162 VanDerWaalsContact CB-CD2 3.46Å; A117-L162 HydrophobicContact CB-CG 4.29Å; L125-L162 HydrophobicContact CD1-CD2 3.96Å; L125-L162 HydrophobicContact CD2-CD2 4.11Å; L125-L162 HydrophobicContact CG-CD2 4.45Å; V127-L162 HydrophobicContact CG2-CD2 4.37Å; I153-L162 HydrophobicContact CB-CD1 4.27Å; W155-L162 HydrophobicContact CD2-CD1 3.9Å; W155-L162 HydrophobicContact CG-CD1 3.99Å; L162-I173 WeakPolarHBondContact O-CA 3.45Å; L162-F174 PolarHBondContact N-O 3.13Å; L162-F174 PolarHBondContact O-N 3.36Å; L162-T176 HydrophobicContact CB-CG2 3.55Å; L162-T176 HydrophobicContact CD2-CG2 4.13Å; L162-T176 HydrophobicContact CG-CG2 4.48Å |
| 163 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 145.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | I153 D154 R172 I173 V211 F213 L220 | I153-A163 VanDerWaalsContact CA-O 3.27Å; I153-A163 WeakPolarHBondContact CA-O 3.47Å; D154-A163 PolarHBondContact N-O 2.59Å; D154-A163 PolarHBondContact O-N 3.15Å; A163-R172 CarbonylContact C-O 3.56Å; A163-R172 VanDerWaalsContact CA-O 3.25Å; A163-R172 WeakPolarHBondContact CA-O 3.05Å; A163-I173 HydrophobicContact CB-CG1 4.16Å; A163-V211 HydrophobicContact CB-CG2 4.34Å; A163-F213 HydrophobicContact CB-CD2 4.14Å; A163-F213 HydrophobicContact CB-CE2 3.35Å; A163-F213 HydrophobicContact CB-CZ 3.67Å; A163-L220 HydrophobicContact CB-CD1 3.58Å; A163-L220 HydrophobicContact CB-CD2 3.96Å; A163-L220 HydrophobicContact CB-CG 4.46Å |
| 164 | C | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.007 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 146.7 | 170.4 | 72.7 | 0 | 0 | 0 | 0 | 112.1 | L125 V150 C152 I153 T171 R172 | L125-C164 HydrophobicContact CD1-CB 4.03Å; L125-C164 HydrophobicContact CD2-CB 4.05Å; L125-C164 HydrophobicContact CG-CB 4.48Å; V150-C164 HydrophobicContact CG1-CB 3.92Å; C152-C164 CarbonylContact O-C 3.5Å; C152-C164 VanDerWaalsContact O-CA 3.25Å; C152-C164 WeakPolarHBondContact O-CA 3.36Å; I153-C164 HydrophobicContact CG2-CB 3.99Å; C164-T171 WeakPolarHBondContact O-CA 3.29Å; C164-R172 PolarHBondContact N-O 2.81Å; C164-R172 PolarHBondContact O-N 2.88Å |
| 165 | G | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 155.2 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T151 C152 | T151-G165 PolarHBondContact N-O 2.87Å; T151-G165 PolarHBondContact OG1-O 3.38Å; C152-G165 PolarHBondContact O-N 3Å; C152-G165 VanDerWaalsContact SG-CA 3.58Å |
| 166 | S | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.007 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 163 | 178.6 | 68.6 | 0 | 0 | 0 | 0 | 113.9 | T149 D168 F169 H170 V208 | T149-S166 CarbonylContact O-C 3.5Å; T149-S166 WeakPolarHBondContact O-CA 3.47Å; T149-S166 VanDerWaalsContact O-CB 3.25Å; T149-S166 WeakPolarHBondContact O-CB 3.2Å; S166-D168 PolarHBondContact O-N 3.38Å; S166-D168 PolarHBondContact OG-N 3.13Å; S166-D168 PolarHBondContact OG-OD1 3.44Å; S166-D168 PolarHBondContact OG-OD2 2.83Å; S166-F169 PolarHBondContact O-N 3.26Å; S166-F169 VanDerWaalsContact O-N 3.15Å; S166-H170 PolarHBondContact N-O 2.94Å; S166-H170 VanDerWaalsContact N-O 3.16Å; S166-H170 PolarHBondContact OG-O 3.13Å; S166-V208 PolarHBondContact O-N 3.27Å |
| 167 | S | 98.5 | Very high | 96.9 | Very high | 19 Ų | 19 | 16.7 Ų | 16.7 | 13% | 0.133 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 2.2 | 172.6 | -59.3 | 0 | 0 | 0 | 0 | 113.4 | S148 T149 T151 W207 | S148-S167 WeakPolarHBondContact OG-CB 3.29Å; T149-S167 PolarHBondContact O-N 3.45Å; T151-S167 VanDerWaalsContact CG2-OG 3.28Å; T151-S167 WeakPolarHBondContact CG2-OG 3.47Å; S167-W207 VanDerWaalsContact CA-CD1 3.46Å |
| 168 | D | 98.1 | Very high | 95.7 | Very high | 23 Ų | 23 | 17.9 Ų | 17.9 | 12% | 0.123 | 9% | 0.093 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 4.4 | 166.4 | 73.1 | 31.6 | 0 | 0 | 0 | 112.3 | R147 S166 H170 R172 | R147-D168 HydrophobicContact CB-CB 4.05Å; R147-D168 PolarHBondContact N-OD2 2.99Å; S166-D168 PolarHBondContact O-N 3.38Å; S166-D168 PolarHBondContact OG-N 3.13Å; S166-D168 PolarHBondContact OG-OD1 3.44Å; S166-D168 PolarHBondContact OG-OD2 2.83Å; D168-H170 VanDerWaalsContact C-N 3.3Å; D168-H170 PolarHBondContact O-CD2 3.25Å; D168-H170 VanDerWaalsContact O-CD2 3.31Å; D168-H170 WeakPolarHBondContact OD1-CB 3.48Å; D168-H170 IonicContact OD1-CD2 3.68Å; D168-H170 PolarHBondContact OD1-CD2 3.46Å; D168-H170 IonicContact OD1-CG 2.85Å; D168-H170 PolarHBondContact OD1-N 2.91Å; D168-H170 VanDerWaalsContact OD1-N 3.1Å; D168-R172 IonicContact OD1-CZ 3.62Å; D168-R172 IonicContact OD1-NH1 2.69Å; D168-R172 PolarHBondContact OD1-NH1 3.42Å; D168-R172 VanDerWaalsContact OD1-NH1 3.13Å; D168-R172 IonicContact OD1-NH2 3.75Å; D168-R172 IonicContact OD2-CZ 3.34Å; D168-R172 IonicContact OD2-NH1 3.89Å; D168-R172 PolarHBondContact OD2-NH1 3.34Å; D168-R172 IonicContact OD2-NH2 3.62Å |
| 169 | F | 98.5 | Very high | 94.6 | Very high | 76 Ų | 76 | 17.9 Ų | 17.9 | 33% | 0.333 | 10% | 0.098 | S | C | . | . | S | Bend | trans | 77.7 | 4.8 | 177.4 | -40.5 | -46.9 | 0 | 0 | 0 | 115.2 | S166 G206 W207 | S166-F169 PolarHBondContact O-N 3.26Å; S166-F169 VanDerWaalsContact O-N 3.15Å; F169-G206 VanDerWaalsContact CD1-N 3.27Å; F169-G206 WeakPolarHBondContact CD1-O 3.04Å; F169-W207 AromaticContact CD1-CD1 3.83Å; F169-W207 AromaticContact CE1-CD1 3.41Å; F169-W207 VanDerWaalsContact CE1-CD1 3.41Å; F169-W207 AromaticContact CE1-NE1 3.83Å |
| 170 | H | 98.7 | Very high | 93 | Very high | 51 Ų | 51 | 22.8 Ų | 22.8 | 24% | 0.236 | 13% | 0.132 | C | C | . | . | trans | -96.7 | 146.6 | 175.8 | -66.9 | -112.5 | 0 | 0 | 0 | 113.2 | S166 D168 R172 D199 H200 S201 | S166-H170 PolarHBondContact N-O 2.94Å; S166-H170 VanDerWaalsContact N-O 3.16Å; S166-H170 PolarHBondContact OG-O 3.13Å; D168-H170 VanDerWaalsContact C-N 3.3Å; D168-H170 PolarHBondContact O-CD2 3.25Å; D168-H170 VanDerWaalsContact O-CD2 3.31Å; D168-H170 WeakPolarHBondContact OD1-CB 3.48Å; D168-H170 IonicContact OD1-CD2 3.68Å; D168-H170 PolarHBondContact OD1-CD2 3.46Å; D168-H170 IonicContact OD1-CG 2.85Å; D168-H170 PolarHBondContact OD1-N 2.91Å; D168-H170 VanDerWaalsContact OD1-N 3.1Å; H170-R172 HydrophobicContact CB-CG 4.32Å; H170-R172 VanDerWaalsContact CB-NH2 3.34Å; H170-R172 PolarHBondContact CD2-NH2 3.46Å; H170-R172 VanDerWaalsContact CD2-NH2 3.33Å; H170-R172 PolarHBondContact ND1-NH2 2.67Å; H170-D199 IonicContact CE1-OD1 2.88Å; H170-D199 IonicContact CG-OD1 3.88Å; H170-D199 IonicContact ND1-OD1 3.37Å; H170-D199 PolarHBondContact ND1-OD1 3.45Å; H170-D199 IonicContact ND1-OD2 3.58Å; H170-H200 WeakPolarHBondContact CA-O 3.43Å; H170-S201 VanDerWaalsContact CE1-CB 3.48Å; H170-S201 WeakPolarHBondContact CE1-CB 3.25Å | ||
| 171 | T | 98.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 130.2 | 161.7 | -59.8 | 0 | 0 | 0 | 0 | 108.4 | C164 F198 H200 V208 V211 L220 W222 | C164-T171 WeakPolarHBondContact O-CA 3.29Å; T171-F198 HydrophobicContact CG2-CE1 4.47Å; T171-H200 PolarHBondContact N-O 2.9Å; T171-H200 PolarHBondContact O-N 3.15Å; T171-V208 WeakPolarHBondContact OG1-CG2 3.29Å; T171-V211 HydrophobicContact CG2-CG1 3.95Å; T171-L220 HydrophobicContact CG2-CD2 3.61Å; T171-W222 HydrophobicContact CG2-CB 4.48Å; T171-W222 HydrophobicContact CG2-CD2 3.87Å; T171-W222 HydrophobicContact CG2-CE3 4.02Å; T171-W222 HydrophobicContact CG2-CG 4.11Å; T171-W222 PolarHBondContact OG1-NE1 3.12Å |
| 172 | R | 98.8 | Very high | 90.4 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 154 | -175.8 | -63.8 | -177.5 | -179.9 | 99.1 | 1.7 | 111.8 | A163 C164 D168 H170 F174 M196 F198 D199 | A163-R172 CarbonylContact C-O 3.56Å; A163-R172 VanDerWaalsContact CA-O 3.25Å; A163-R172 WeakPolarHBondContact CA-O 3.05Å; C164-R172 PolarHBondContact N-O 2.81Å; C164-R172 PolarHBondContact O-N 2.88Å; D168-R172 IonicContact OD1-CZ 3.62Å; D168-R172 IonicContact OD1-NH1 2.69Å; D168-R172 PolarHBondContact OD1-NH1 3.42Å; D168-R172 VanDerWaalsContact OD1-NH1 3.13Å; D168-R172 IonicContact OD1-NH2 3.75Å; D168-R172 IonicContact OD2-CZ 3.34Å; D168-R172 IonicContact OD2-NH1 3.89Å; D168-R172 PolarHBondContact OD2-NH1 3.34Å; D168-R172 IonicContact OD2-NH2 3.62Å; H170-R172 HydrophobicContact CB-CG 4.32Å; H170-R172 VanDerWaalsContact CB-NH2 3.34Å; H170-R172 PolarHBondContact CD2-NH2 3.46Å; H170-R172 VanDerWaalsContact CD2-NH2 3.33Å; H170-R172 PolarHBondContact ND1-NH2 2.67Å; R172-F174 HydrophobicContact CB-CD2 4.27Å; R172-F174 HydrophobicContact CB-CE2 3.62Å; R172-F174 HydrophobicContact CB-CZ 3.97Å; R172-F174 HydrophobicContact CG-CE2 4.44Å; R172-F174 HydrophobicContact CG-CZ 4.39Å; R172-M196 HydrophobicContact CG-SD 4.26Å; R172-F198 CarbonylContact C-O 3.59Å; R172-F198 WeakPolarHBondContact CA-O 3.07Å; R172-D199 HydrophobicContact CG-CB 4.21Å; R172-D199 WeakPolarHBondContact CG-OD1 3.25Å; R172-D199 IonicContact CZ-OD1 3.07Å; R172-D199 IonicContact CZ-OD2 2.77Å; R172-D199 IonicContact NE-OD1 3.92Å; R172-D199 PolarHBondContact NE-OD1 2.94Å; R172-D199 IonicContact NE-OD2 3.23Å; R172-D199 PolarHBondContact NE-OD2 3.07Å; R172-D199 VanDerWaalsContact NE-OD2 3.07Å; R172-D199 IonicContact NH2-OD1 2.71Å; R172-D199 IonicContact NH2-OD2 3.23Å |
| 173 | I | 98.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 126.7 | 167.2 | -58.3 | 170.5 | 0 | 0 | 0 | 108.1 | L161 L162 A163 W187 L197 F198 F213 L220 | L161-I173 HydrophobicContact CB-CG2 3.89Å; L161-I173 HydrophobicContact CD1-CG2 4.23Å; L161-I173 HydrophobicContact CG-CG2 4.48Å; L162-I173 WeakPolarHBondContact O-CA 3.45Å; A163-I173 HydrophobicContact CB-CG1 4.16Å; I173-W187 HydrophobicContact CD1-CD2 3.49Å; I173-W187 VanDerWaalsContact CD1-CD2 3.49Å; I173-W187 HydrophobicContact CD1-CE3 3.37Å; I173-W187 HydrophobicContact CD1-CG 4.2Å; I173-W187 HydrophobicContact CD1-CH2 3.77Å; I173-W187 HydrophobicContact CD1-CZ2 3.89Å; I173-W187 HydrophobicContact CD1-CZ3 3.5Å; I173-L197 HydrophobicContact CG2-CB 4.49Å; I173-L197 PolarHBondContact O-N 2.95Å; I173-F198 HydrophobicContact CB-CB 3.86Å; I173-F198 HydrophobicContact CD1-CB 3.84Å; I173-F198 HydrophobicContact CD1-CD1 4.18Å; I173-F198 HydrophobicContact CD1-CG 4.21Å; I173-F198 HydrophobicContact CG1-CB 3.91Å; I173-F198 HydrophobicContact CG1-CD1 4.14Å; I173-F198 HydrophobicContact CG1-CG 4.42Å; I173-F198 PolarHBondContact N-O 2.87Å; I173-F198 PolarHBondContact O-N 2.81Å; I173-F213 HydrophobicContact CD1-CE1 3.76Å; I173-F213 HydrophobicContact CD1-CZ 3.75Å; I173-F213 HydrophobicContact CG1-CE1 4.44Å; I173-F213 HydrophobicContact CG1-CZ 3.95Å; I173-F213 HydrophobicContact CG2-CZ 4.18Å; I173-L220 HydrophobicContact CD1-CD2 4.07Å; I173-L220 HydrophobicContact CG1-CD2 4.06Å |
| 174 | F | 98.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 152.5 | 175.5 | -62.3 | -80.9 | 0 | 0 | 0 | 111.2 | L125 I142 I146 L161 L162 R172 A195 M196 | L125-F174 HydrophobicContact CD1-CD2 3.65Å; L125-F174 HydrophobicContact CD1-CE2 3.97Å; I142-F174 HydrophobicContact CD1-CB 3.91Å; I142-F174 HydrophobicContact CD1-CG 4.39Å; I142-F174 HydrophobicContact CG2-CD1 3.72Å; I142-F174 HydrophobicContact CG2-CD2 4.29Å; I142-F174 HydrophobicContact CG2-CE1 3.87Å; I142-F174 HydrophobicContact CG2-CE2 4.42Å; I142-F174 HydrophobicContact CG2-CG 3.93Å; I142-F174 HydrophobicContact CG2-CZ 4.21Å; I146-F174 HydrophobicContact CD1-CE2 4.04Å; I146-F174 HydrophobicContact CD1-CZ 4.26Å; I146-F174 HydrophobicContact CG1-CE2 4.22Å; I146-F174 HydrophobicContact CG1-CZ 4.06Å; L161-F174 WeakPolarHBondContact CA-O 3.45Å; L162-F174 PolarHBondContact N-O 3.13Å; L162-F174 PolarHBondContact O-N 3.36Å; R172-F174 HydrophobicContact CB-CD2 4.27Å; R172-F174 HydrophobicContact CB-CE2 3.62Å; R172-F174 HydrophobicContact CB-CZ 3.97Å; R172-F174 HydrophobicContact CG-CE2 4.44Å; R172-F174 HydrophobicContact CG-CZ 4.39Å; F174-A195 CarbonylContact C-O 3.53Å; F174-A195 VanDerWaalsContact CA-O 3.26Å; F174-A195 WeakPolarHBondContact CA-O 3.25Å; F174-M196 HydrophobicContact CD1-CB 3.92Å; F174-M196 HydrophobicContact CD1-CG 4.22Å; F174-M196 HydrophobicContact CE1-CB 3.77Å; F174-M196 HydrophobicContact CE1-CG 3.86Å; F174-M196 HydrophobicContact CE1-SD 4.14Å; F174-M196 HydrophobicContact CZ-CG 4.44Å; F174-M196 HydrophobicContact CZ-SD 4.39Å |
| 175 | S | 96 | Very high | 89.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 140.5 | 161.9 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | F177 H190 G194 A195 | S175-F177 WeakPolarHBondContact OG-CB 3.36Å; S175-F177 PolarHBondContact OG-N 3.22Å; S175-H190 WeakPolarHBondContact CB-O 3.17Å; S175-H190 PolarHBondContact OG-O 3.03Å; S175-G194 PolarHBondContact O-N 3.44Å; S175-A195 PolarHBondContact N-O 3.37Å |
| 176 | T | 94.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | trans | -109.6 | 4.2 | 170.3 | 72.1 | 0 | 0 | 0 | 0 | 112.6 | R115 V127 W155 V160 L162 T178 | R115-T176 PolarHBondContact NH1-O 2.81Å; R115-T176 PolarHBondContact NH1-OG1 3.01Å; V127-T176 HydrophobicContact CG1-CG2 4.42Å; V127-T176 HydrophobicContact CG2-CG2 3.75Å; W155-T176 HydrophobicContact CH2-CG2 3.95Å; W155-T176 HydrophobicContact CZ3-CG2 3.88Å; W155-T176 VanDerWaalsContact CZ3-OG1 3.31Å; W155-T176 WeakPolarHBondContact CZ3-OG1 3.19Å; V160-T176 WeakPolarHBondContact O-CB 3.24Å; V160-T176 PolarHBondContact O-N 3.5Å; V160-T176 PolarHBondContact O-OG1 3.44Å; L162-T176 HydrophobicContact CB-CG2 3.55Å; L162-T176 HydrophobicContact CD2-CG2 4.13Å; L162-T176 HydrophobicContact CG-CG2 4.48Å; T176-T178 PolarHBondContact O-N 2.79Å | ||
| 177 | F | 81.6 | Confident | 88.9 | Confident | 43 Ų | 43 | 46 Ų | 46 | 19% | 0.189 | 27% | 0.267 | C | S | . | . | trans | -68.9 | 123.2 | -176 | -157.3 | -122 | 0 | 0 | 0 | 111.5 | V160 S175 S179 D181 H190 L193 | V160-F177 HydrophobicContact CG1-CB 3.69Å; V160-F177 HydrophobicContact CG1-CD2 4.12Å; V160-F177 HydrophobicContact CG1-CG 4.17Å; V160-F177 HydrophobicContact CG2-CD2 3.88Å; V160-F177 HydrophobicContact CG2-CE2 4.39Å; S175-F177 WeakPolarHBondContact OG-CB 3.36Å; S175-F177 PolarHBondContact OG-N 3.22Å; F177-S179 WeakPolarHBondContact CD1-O 3.21Å; F177-S179 VanDerWaalsContact CE1-O 3.25Å; F177-S179 WeakPolarHBondContact CE1-O 3.41Å; F177-D181 HydrophobicContact CE1-CB 4.26Å; F177-D181 WeakPolarHBondContact CE1-O 3.21Å; F177-H190 HydrophobicContact CB-CB 4.36Å; F177-L193 WeakPolarHBondContact O-CA 3.35Å; F177-L193 WeakPolarHBondContact O-CB 3.35Å; F177-L193 PolarHBondContact O-N 2.84Å | ||
| 178 | T | 72.8 | Confident | 88.6 | Confident | 80 Ų | 80 | 46.5 Ų | 46.5 | 49% | 0.491 | 28% | 0.275 | S | S | . | . | trans | -93.5 | -26.7 | 177.6 | -62.2 | 0 | 0 | 0 | 0 | 112.8 | T176 L193 | T176-T178 PolarHBondContact O-N 2.79Å; T178-L193 WeakPolarHBondContact OG1-CD1 3.22Å | ||
| 179 | S | 72.2 | Confident | 88.4 | Confident | 53 Ų | 53 | 52.2 Ų | 52.2 | 37% | 0.371 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -69.8 | 152.6 | -180 | 179.1 | 0 | 0 | 0 | 0 | 111.2 | F177 D181 | F177-S179 WeakPolarHBondContact CD1-O 3.21Å; F177-S179 VanDerWaalsContact CE1-O 3.25Å; F177-S179 WeakPolarHBondContact CE1-O 3.41Å; S179-D181 PolarHBondContact O-N 2.94Å; S179-D181 PolarHBondContact OG-N 2.95Å; S179-D181 PolarHBondContact OG-OD2 2.97Å |
| 180 | S | 62.4 | Low | 88 | Confident | 111 Ų | 111 | 48.9 Ų | 48.9 | 78% | 0.776 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -74.8 | -10.7 | 178.9 | 45.7 | 0 | 0 | 0 | 0 | 113.9 | S182 | S180-S182 PolarHBondContact O-N 2.76Š|
| 181 | D | 66.3 | Low | 87.4 | Confident | 106 Ų | 106 | 48.7 Ų | 48.7 | 57% | 0.567 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -67.2 | 133.9 | -176.8 | -59.1 | -40 | 0 | 0 | 0 | 111.2 | F177 S179 S183 | F177-D181 HydrophobicContact CE1-CB 4.26Å; F177-D181 WeakPolarHBondContact CE1-O 3.21Å; S179-D181 PolarHBondContact O-N 2.94Å; S179-D181 PolarHBondContact OG-N 2.95Å; S179-D181 PolarHBondContact OG-OD2 2.97Å; D181-S183 PolarHBondContact O-N 3.45Å; D181-S183 VanDerWaalsContact O-N 3.13Å |
| 182 | S | 70.6 | Confident | 87 | Confident | 109 Ų | 109 | 53.1 Ų | 53.1 | 76% | 0.762 | 32% | 0.317 | S | S | * | . | trans | -79.4 | 97.8 | 177.5 | 59 | 0 | 0 | 0 | 0 | 109.9 | S180 | S180-S182 PolarHBondContact O-N 2.76Š| ||
| 183 | S | 85.3 | Confident | 86.6 | Confident | 41 Ų | 41 | 55 Ų | 55 | 29% | 0.287 | 33% | 0.327 | S | S | . | . | trans | -100.9 | 154.2 | 161.6 | 60.2 | 0 | 0 | 0 | 0 | 110.7 | D181 H190 | D181-S183 PolarHBondContact O-N 3.45Å; D181-S183 VanDerWaalsContact O-N 3.13Å; S183-H190 WeakPolarHBondContact O-CB 3.14Å; S183-H190 PolarHBondContact O-N 3.37Å; S183-H190 WeakPolarHBondContact OG-CB 2.98Å; S183-H190 PolarHBondContact OG-ND1 3.17Å | ||
| 184 | E | 90.8 | Very high | 86.4 | Confident | 144 Ų | 144 | 56.1 Ų | 56.1 | 67% | 0.673 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 165.9 | 178.1 | 66.9 | -177 | -170 | 0 | 0 | 111.6 | G188 K189 | E184-G188 WeakPolarHBondContact CA-O 3.34Å; E184-K189 HydrophobicContact CB-CG 4.5Å |
| 185 | S | 93.1 | Very high | 86.3 | Confident | 32 Ų | 32 | 57.3 Ų | 57.3 | 22% | 0.224 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | -178.1 | 174.2 | 60 | 0 | 0 | 0 | 0 | 108.7 | L161 W187 G188 H190 | L161-S185 WeakPolarHBondContact CD1-OG 3.33Å; S185-W187 PolarHBondContact O-N 2.84Å; S185-W187 PolarHBondContact OG-N 2.93Å; S185-G188 PolarHBondContact N-O 2.76Å; S185-G188 PolarHBondContact O-N 2.83Å; S185-H190 VanDerWaalsContact CB-NE2 3.34Å; S185-H190 WeakPolarHBondContact CB-NE2 3.46Å; S185-H190 PolarHBondContact N-NE2 2.8Å; S185-H190 PolarHBondContact OG-NE2 3.18Å |
| 186 | V | 95.6 | Very high | 86.3 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 38% | 0.376 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -22.9 | 173.1 | -62.5 | 0 | 0 | 0 | 0 | 113.8 | G188 N218 A234 | V186-G188 VanDerWaalsContact C-N 3.3Å; V186-N218 WeakPolarHBondContact CG1-OD1 3.45Å; V186-N218 HydrophobicContact CG2-CB 4.27Å; V186-N218 WeakPolarHBondContact CG2-OD1 3.33Å; V186-A234 HydrophobicContact CB-CB 3.92Å; V186-A234 HydrophobicContact CG2-CB 3.61Å |
| 187 | W | 96.8 | Very high | 86.4 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -7.3 | 175.2 | -59.5 | 100.8 | 0 | 0 | 0 | 114 | H156 L161 I173 S185 L197 F198 F213 G217 L220 A232 A234 P240 | H156-W187 AromaticContact CD2-CD1 3.93Å; H156-W187 AromaticContact CD2-NE1 3.82Å; H156-W187 AromaticContact NE2-CD1 3.82Å; H156-W187 AromaticContact NE2-NE1 3.82Å; L161-W187 HydrophobicContact CD1-CB 3.9Å; L161-W187 HydrophobicContact CD1-CG 4.11Å; I173-W187 HydrophobicContact CD1-CD2 3.49Å; I173-W187 VanDerWaalsContact CD1-CD2 3.49Å; I173-W187 HydrophobicContact CD1-CE3 3.37Å; I173-W187 HydrophobicContact CD1-CG 4.2Å; I173-W187 HydrophobicContact CD1-CH2 3.77Å; I173-W187 HydrophobicContact CD1-CZ2 3.89Å; I173-W187 HydrophobicContact CD1-CZ3 3.5Å; S185-W187 PolarHBondContact O-N 2.84Å; S185-W187 PolarHBondContact OG-N 2.93Å; W187-L197 HydrophobicContact CB-CB 4.33Å; W187-L197 HydrophobicContact CB-CD2 3.97Å; W187-L197 WeakPolarHBondContact O-CB 3.36Å; W187-F198 HydrophobicContact CE3-CB 4.14Å; W187-F198 HydrophobicContact CE3-CD2 4.41Å; W187-F198 HydrophobicContact CE3-CG 4.36Å; W187-F198 HydrophobicContact CZ3-CB 4.29Å; W187-F198 AromaticContact CZ3-CD2 3.93Å; W187-F198 HydrophobicContact CZ3-CD2 3.93Å; W187-F198 HydrophobicContact CZ3-CE2 4.38Å; W187-F198 HydrophobicContact CZ3-CG 4.02Å; W187-F213 AromaticContact CE2-CE1 3.94Å; W187-F213 HydrophobicContact CZ2-CD1 4.49Å; W187-F213 HydrophobicContact CZ2-CE1 4Å; W187-F213 AromaticContact NE1-CE1 3.8Å; W187-G217 PolarHBondContact NE1-O 3.48Å; W187-L220 HydrophobicContact CH2-CB 4Å; W187-L220 HydrophobicContact CZ2-CB 4.14Å; W187-A232 HydrophobicContact CH2-CB 3.84Å; W187-A232 HydrophobicContact CZ3-CB 4.21Å; W187-A234 HydrophobicContact CD2-CB 3.73Å; W187-A234 HydrophobicContact CE3-CB 3.78Å; W187-A234 HydrophobicContact CG-CB 4.38Å; W187-A234 HydrophobicContact CH2-CB 4.01Å; W187-A234 HydrophobicContact CZ2-CB 3.95Å; W187-A234 HydrophobicContact CZ3-CB 3.93Å; W187-P240 HydrophobicContact CE3-CB 4.33Å; W187-P240 HydrophobicContact CE3-CG 3.71Å; W187-P240 HydrophobicContact CH2-CB 4.46Å; W187-P240 HydrophobicContact CZ3-CB 3.72Å; W187-P240 HydrophobicContact CZ3-CG 3.61Å |
| 188 | G | 93.9 | Very high | 87.2 | Confident | 29 Ų | 29 | 61.6 Ų | 61.6 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 109.6 | -164.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | E184 S185 V186 H190 | E184-G188 WeakPolarHBondContact CA-O 3.34Å; S185-G188 PolarHBondContact N-O 2.76Å; S185-G188 PolarHBondContact O-N 2.83Å; V186-G188 VanDerWaalsContact C-N 3.3Å; G188-H190 PolarHBondContact O-CD2 3.14Å |
| 189 | K | 92.2 | Very high | 88.4 | Confident | 142 Ų | 142 | 60.6 Ų | 60.6 | 62% | 0.617 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 140.2 | -173.5 | -64.2 | -176 | 178.7 | -176.5 | 0 | 112 | E184 L197 | E184-K189 HydrophobicContact CB-CG 4.5Å; K189-L197 WeakPolarHBondContact O-CD2 3.25Å |
| 190 | H | 90.6 | Very high | 89.7 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.028 | 35% | 0.354 | C | S | . | . | trans | -88.6 | -10.7 | -175.9 | -57.7 | 164.5 | 0 | 0 | 0 | 113.9 | N158 V160 S175 F177 S183 S185 G188 | N158-H190 PolarHBondContact ND2-CE1 2.73Å; N158-H190 VanDerWaalsContact ND2-CE1 3.29Å; V160-H190 HydrophobicContact CG1-CB 3.68Å; S175-H190 WeakPolarHBondContact CB-O 3.17Å; S175-H190 PolarHBondContact OG-O 3.03Å; F177-H190 HydrophobicContact CB-CB 4.36Å; S183-H190 WeakPolarHBondContact O-CB 3.14Å; S183-H190 PolarHBondContact O-N 3.37Å; S183-H190 WeakPolarHBondContact OG-CB 2.98Å; S183-H190 PolarHBondContact OG-ND1 3.17Å; S185-H190 VanDerWaalsContact CB-NE2 3.34Å; S185-H190 WeakPolarHBondContact CB-NE2 3.46Å; S185-H190 PolarHBondContact N-NE2 2.8Å; S185-H190 PolarHBondContact OG-NE2 3.18Å; G188-H190 PolarHBondContact O-CD2 3.14Å | ||
| 191 | S | 86 | Confident | 91.3 | Very high | 47 Ų | 47 | 57 Ų | 57 | 33% | 0.329 | 33% | 0.333 | S | S | . | . | trans | -99.9 | 145.7 | 178.4 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 192 | P | 91.1 | Very high | 92.8 | Very high | 94 Ų | 94 | 53.7 Ų | 53.7 | 61% | 0.61 | 32% | 0.315 | S | S | * | . | S | Bend | cis | -84.8 | 178.1 | -9.7 | 35.6 | -38.5 | 0 | 0 | 0 | 113.9 | G194 A195 | P192-G194 PolarHBondContact O-N 3.16Å; P192-A195 WeakPolarHBondContact O-CB 3.01Å; P192-A195 PolarHBondContact O-N 3.49Å |
| 193 | L | 91 | Very high | 93.8 | Very high | 44 Ų | 44 | 51.9 Ų | 51.9 | 23% | 0.23 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 130.9 | 165.6 | -177.4 | 144.9 | 0 | 0 | 0 | 111 | K140 I142 F177 T178 A195 | K140-L193 HydrophobicContact CB-CD1 4.27Å; K140-L193 HydrophobicContact CB-CD2 4.45Å; K140-L193 HydrophobicContact CD-CD1 3.77Å; I142-L193 HydrophobicContact CG1-CD2 4.29Å; F177-L193 WeakPolarHBondContact O-CA 3.35Å; F177-L193 WeakPolarHBondContact O-CB 3.35Å; F177-L193 PolarHBondContact O-N 2.84Å; T178-L193 WeakPolarHBondContact OG1-CD1 3.22Å; L193-A195 VanDerWaalsContact C-N 3.27Å; L193-A195 PolarHBondContact O-N 3.36Å |
| 194 | G | 94.4 | Very high | 94.3 | Very high | 24 Ų | 24 | 54.8 Ų | 54.8 | 25% | 0.247 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | S175 P192 M196 | S175-G194 PolarHBondContact O-N 3.44Å; P192-G194 PolarHBondContact O-N 3.16Å; G194-M196 PolarHBondContact O-N 3Å |
| 195 | A | 94.5 | Very high | 94.4 | Very high | 25 Ų | 25 | 48.5 Ų | 48.5 | 21% | 0.207 | 30% | 0.297 | C | S | . | . | trans | -56.3 | 129.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | F174 S175 P192 L193 L197 | F174-A195 CarbonylContact C-O 3.53Å; F174-A195 VanDerWaalsContact CA-O 3.26Å; F174-A195 WeakPolarHBondContact CA-O 3.25Å; S175-A195 PolarHBondContact N-O 3.37Å; P192-A195 WeakPolarHBondContact O-CB 3.01Å; P192-A195 PolarHBondContact O-N 3.49Å; L193-A195 VanDerWaalsContact C-N 3.27Å; L193-A195 PolarHBondContact O-N 3.36Å; A195-L197 HydrophobicContact CB-CD1 4.07Å; A195-L197 WeakPolarHBondContact O-CD1 3.25Å | ||
| 196 | M | 96.7 | Very high | 94.6 | Very high | 84 Ų | 84 | 47.9 Ų | 47.9 | 41% | 0.414 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 114.7 | 176.9 | -172.4 | 172.6 | 71.3 | 0 | 0 | 108.7 | P145 R172 F174 G194 F198 D199 | P145-M196 VanDerWaalsContact CD-SD 3.57Å; P145-M196 HydrophobicContact CG-CE 4.02Å; P145-M196 HydrophobicContact CG-SD 3.45Å; P145-M196 WeakPolarHBondContact CG-SD 3.19Å; R172-M196 HydrophobicContact CG-SD 4.26Å; F174-M196 HydrophobicContact CD1-CB 3.92Å; F174-M196 HydrophobicContact CD1-CG 4.22Å; F174-M196 HydrophobicContact CE1-CB 3.77Å; F174-M196 HydrophobicContact CE1-CG 3.86Å; F174-M196 HydrophobicContact CE1-SD 4.14Å; F174-M196 HydrophobicContact CZ-CG 4.44Å; F174-M196 HydrophobicContact CZ-SD 4.39Å; G194-M196 PolarHBondContact O-N 3Å; M196-F198 WeakPolarHBondContact CG-O 3.26Å; M196-D199 HydrophobicContact CE-CB 3.76Å; M196-D199 HydrophobicContact CG-CB 4.41Å; M196-D199 HydrophobicContact SD-CB 3.72Å |
| 197 | L | 96.5 | Very high | 94.7 | Very high | 31 Ų | 31 | 51.1 Ų | 51.1 | 16% | 0.162 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -24.8 | -176.8 | -79.9 | 73.2 | 0 | 0 | 0 | 111.8 | L161 I173 W187 K189 A195 | L161-L197 HydrophobicContact CD1-CD2 3.99Å; L161-L197 HydrophobicContact CD2-CD1 4.4Å; L161-L197 HydrophobicContact CD2-CD2 3.58Å; L161-L197 HydrophobicContact CG-CD2 4.44Å; I173-L197 HydrophobicContact CG2-CB 4.49Å; I173-L197 PolarHBondContact O-N 2.95Å; W187-L197 HydrophobicContact CB-CB 4.33Å; W187-L197 HydrophobicContact CB-CD2 3.97Å; W187-L197 WeakPolarHBondContact O-CB 3.36Å; K189-L197 WeakPolarHBondContact O-CD2 3.25Å; A195-L197 HydrophobicContact CB-CD1 4.07Å; A195-L197 WeakPolarHBondContact O-CD1 3.25Å |
| 198 | F | 98.2 | Very high | 94.8 | Very high | 18 Ų | 18 | 50.6 Ų | 50.6 | 8% | 0.079 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 140.1 | 178.7 | 178.7 | -103.6 | 0 | 0 | 0 | 109.8 | T171 R172 I173 W187 M196 H200 W222 A232 P240 V242 | T171-F198 HydrophobicContact CG2-CE1 4.47Å; R172-F198 CarbonylContact C-O 3.59Å; R172-F198 WeakPolarHBondContact CA-O 3.07Å; I173-F198 HydrophobicContact CB-CB 3.86Å; I173-F198 HydrophobicContact CD1-CB 3.84Å; I173-F198 HydrophobicContact CD1-CD1 4.18Å; I173-F198 HydrophobicContact CD1-CG 4.21Å; I173-F198 HydrophobicContact CG1-CB 3.91Å; I173-F198 HydrophobicContact CG1-CD1 4.14Å; I173-F198 HydrophobicContact CG1-CG 4.42Å; I173-F198 PolarHBondContact N-O 2.87Å; I173-F198 PolarHBondContact O-N 2.81Å; W187-F198 HydrophobicContact CE3-CB 4.14Å; W187-F198 HydrophobicContact CE3-CD2 4.41Å; W187-F198 HydrophobicContact CE3-CG 4.36Å; W187-F198 HydrophobicContact CZ3-CB 4.29Å; W187-F198 AromaticContact CZ3-CD2 3.93Å; W187-F198 HydrophobicContact CZ3-CD2 3.93Å; W187-F198 HydrophobicContact CZ3-CE2 4.38Å; W187-F198 HydrophobicContact CZ3-CG 4.02Å; M196-F198 WeakPolarHBondContact CG-O 3.26Å; F198-H200 HydrophobicContact CE1-CB 3.7Å; F198-H200 HydrophobicContact CE2-CB 4.23Å; F198-H200 HydrophobicContact CZ-CB 3.43Å; F198-H200 VanDerWaalsContact CZ-CB 3.43Å; F198-W222 HydrophobicContact CE1-CH2 4.19Å; F198-W222 HydrophobicContact CE1-CZ3 4.36Å; F198-W222 AromaticContact CZ-CH2 3.99Å; F198-W222 HydrophobicContact CZ-CH2 3.99Å; F198-W222 HydrophobicContact CZ-CZ3 4.42Å; F198-A232 HydrophobicContact CE1-CB 4.35Å; F198-A232 HydrophobicContact CE2-CB 4.06Å; F198-A232 HydrophobicContact CZ-CB 3.7Å; F198-P240 HydrophobicContact CD2-CB 4.1Å; F198-P240 HydrophobicContact CD2-CG 3.98Å; F198-P240 HydrophobicContact CE2-CB 3.98Å; F198-P240 HydrophobicContact CE2-CG 4.37Å; F198-V242 HydrophobicContact CE2-CG2 3.97Å; F198-V242 HydrophobicContact CZ-CG2 3.83Å |
| 199 | D | 98.3 | Very high | 95.1 | Very high | 60 Ų | 60 | 50.8 Ų | 50.8 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 124.2 | 170.7 | -167.1 | -5 | 0 | 0 | 0 | 108.9 | H170 R172 M196 | H170-D199 IonicContact CE1-OD1 2.88Å; H170-D199 IonicContact CG-OD1 3.88Å; H170-D199 IonicContact ND1-OD1 3.37Å; H170-D199 PolarHBondContact ND1-OD1 3.45Å; H170-D199 IonicContact ND1-OD2 3.58Å; R172-D199 HydrophobicContact CG-CB 4.21Å; R172-D199 WeakPolarHBondContact CG-OD1 3.25Å; R172-D199 IonicContact CZ-OD1 3.07Å; R172-D199 IonicContact CZ-OD2 2.77Å; R172-D199 IonicContact NE-OD1 3.92Å; R172-D199 PolarHBondContact NE-OD1 2.94Å; R172-D199 IonicContact NE-OD2 3.23Å; R172-D199 PolarHBondContact NE-OD2 3.07Å; R172-D199 VanDerWaalsContact NE-OD2 3.07Å; R172-D199 IonicContact NH2-OD1 2.71Å; R172-D199 IonicContact NH2-OD2 3.23Å; M196-D199 HydrophobicContact CE-CB 3.76Å; M196-D199 HydrophobicContact CG-CB 4.41Å; M196-D199 HydrophobicContact SD-CB 3.72Å |
| 200 | H | 98.5 | Very high | 95.4 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 19% | 0.194 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 133.1 | 177.6 | 177 | -81.2 | 0 | 0 | 0 | 111.8 | H170 T171 F198 W222 F230 | H170-H200 WeakPolarHBondContact CA-O 3.43Å; T171-H200 PolarHBondContact N-O 2.9Å; T171-H200 PolarHBondContact O-N 3.15Å; F198-H200 HydrophobicContact CE1-CB 3.7Å; F198-H200 HydrophobicContact CE2-CB 4.23Å; F198-H200 HydrophobicContact CZ-CB 3.43Å; F198-H200 VanDerWaalsContact CZ-CB 3.43Å; H200-W222 HydrophobicContact CB-CZ2 4.37Å; H200-W222 AromaticContact CG-CZ2 3.98Å; H200-W222 AromaticContact ND1-CZ2 3.5Å; H200-F230 AromaticContact CE1-CD1 3.9Å; H200-F230 AromaticContact CE1-CE1 3.63Å |
| 201 | S | 97.5 | Very high | 95.8 | Very high | 45 Ų | 45 | 44.7 Ų | 44.7 | 32% | 0.315 | 27% | 0.268 | S | S | . | . | trans | -143 | 140.1 | 165.8 | 177.6 | 0 | 0 | 0 | 0 | 108.4 | H170 | H170-S201 VanDerWaalsContact CE1-CB 3.48Å; H170-S201 WeakPolarHBondContact CE1-CB 3.25Å | ||
| 202 | D | 96.2 | Very high | 96.4 | Very high | 38 Ų | 38 | 42.6 Ų | 42.6 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | trans | -93 | -3.6 | -178.5 | 60.3 | -3.9 | 0 | 0 | 0 | 113.2 | E204 K224 F230 | D202-E204 PolarHBondContact O-N 2.82Å; D202-E204 PolarHBondContact OD1-N 2.84Å; D202-E204 VanDerWaalsContact OD1-N 3.12Å; D202-K224 IonicContact OD1-NZ 2.69Å; D202-K224 PolarHBondContact OD1-NZ 3.29Å; D202-K224 IonicContact OD2-NZ 3.57Å; D202-K224 PolarHBondContact OD2-NZ 3.05Å; D202-F230 HydrophobicContact CB-CE1 4.38Å; D202-F230 HydrophobicContact CB-CZ 4.11Å; D202-F230 VanDerWaalsContact OD2-CZ 3.25Å; D202-F230 WeakPolarHBondContact OD2-CZ 3.28Å | ||
| 203 | G | 93.4 | Very high | 96.8 | Very high | 70 Ų | 70 | 38.1 Ų | 38.1 | 72% | 0.722 | 22% | 0.224 | S | C | * | . | S | Bend | trans | 72.9 | -1.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | G205 | G203-G205 VanDerWaalsContact C-N 3.34Š|
| 204 | E | 94.3 | Very high | 97.1 | Very high | 102 Ų | 102 | 36 Ų | 36 | 48% | 0.477 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -90.8 | 1.7 | -178.3 | -65.8 | -173.4 | -179.9 | 0 | 0 | 113.3 | D202 R244 | D202-E204 PolarHBondContact O-N 2.82Å; D202-E204 PolarHBondContact OD1-N 2.84Å; D202-E204 VanDerWaalsContact OD1-N 3.12Å; E204-R244 IonicContact OE1-CZ 3.14Å; E204-R244 IonicContact OE1-NH1 3.69Å; E204-R244 PolarHBondContact OE1-NH1 3.2Å; E204-R244 IonicContact OE1-NH2 2.93Å; E204-R244 IonicContact OE2-CZ 2.97Å; E204-R244 IonicContact OE2-NH1 2.7Å; E204-R244 PolarHBondContact OE2-NH1 3.38Å |
| 205 | G | 93.6 | Very high | 97.3 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 13% | 0.134 | 22% | 0.216 | C | C | . | . | trans | 68.1 | -168.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G203 K224 N226 | G203-G205 VanDerWaalsContact C-N 3.34Å; G205-K224 WeakPolarHBondContact O-CE 3.27Å; G205-K224 PolarHBondContact O-NZ 3.44Å; G205-N226 PolarHBondContact O-ND2 2.8Å | ||
| 206 | G | 97.2 | Very high | 97.4 | Very high | 18 Ų | 18 | 39.6 Ų | 39.6 | 19% | 0.186 | 23% | 0.228 | C | C | . | . | trans | 90.6 | 125.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F169 K224 | F169-G206 VanDerWaalsContact CD1-N 3.27Å; F169-G206 WeakPolarHBondContact CD1-O 3.04Å; G206-K224 WeakPolarHBondContact O-CE 3.31Å | ||
| 207 | W | 98.4 | Very high | 97.5 | Very high | 131 Ų | 131 | 35.6 Ų | 35.6 | 50% | 0.496 | 21% | 0.209 | S | C | . | . | trans | -63.2 | 140.7 | -178.6 | -56 | -27.4 | 0 | 0 | 0 | 111.1 | S167 F169 L209 K224 H225 | S167-W207 VanDerWaalsContact CA-CD1 3.46Å; F169-W207 AromaticContact CD1-CD1 3.83Å; F169-W207 AromaticContact CE1-CD1 3.41Å; F169-W207 VanDerWaalsContact CE1-CD1 3.41Å; F169-W207 AromaticContact CE1-NE1 3.83Å; W207-L209 HydrophobicContact CB-CD2 4.32Å; W207-K224 CarbonylContact O-C 3.5Å; W207-K224 WeakPolarHBondContact O-CA 3.45Å; W207-H225 HydrophobicContact CB-CB 4.42Å; W207-H225 PolarHBondContact O-N 3.37Å | ||
| 208 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 130 | 167.8 | -173.7 | 0 | 0 | 0 | 0 | 107.7 | T151 S166 T171 V211 W222 T223 K224 | T151-V208 WeakPolarHBondContact CB-O 3.36Å; T151-V208 PolarHBondContact OG1-O 2.68Å; S166-V208 PolarHBondContact O-N 3.27Å; T171-V208 WeakPolarHBondContact OG1-CG2 3.29Å; V208-V211 HydrophobicContact CG1-CG1 4.07Å; V208-W222 HydrophobicContact CG1-CB 4.13Å; V208-W222 HydrophobicContact CG1-CG 4.37Å; V208-T223 CarbonylContact C-O 3.57Å; V208-T223 WeakPolarHBondContact CA-O 3.1Å; V208-K224 HydrophobicContact CG2-CG 4.21Å |
| 209 | L | 98.7 | Very high | 97.6 | Very high | 32 Ų | 32 | 36.4 Ų | 36.4 | 17% | 0.168 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | -32.9 | -172.3 | -63.6 | 177.7 | 0 | 0 | 0 | 112.9 | C152 W207 T223 H225 P251 F252 V253 | C152-L209 WeakPolarHBondContact CB-O 3.26Å; W207-L209 HydrophobicContact CB-CD2 4.32Å; L209-T223 PolarHBondContact N-O 2.84Å; L209-H225 HydrophobicContact CD1-CB 3.93Å; L209-H225 HydrophobicContact CG-CB 4.3Å; L209-P251 HydrophobicContact CD1-CB 4.45Å; L209-F252 VanDerWaalsContact CD1-O 3.24Å; L209-F252 WeakPolarHBondContact CD1-O 3.12Å; L209-V253 HydrophobicContact CD1-CG2 4.48Å |
| 210 | S | 98.9 | Very high | 97.6 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 9% | 0.091 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 149.3 | 175.5 | -171.1 | 0 | 0 | 0 | 0 | 110.9 | C152 W222 T223 V253 C255 | C152-S210 VanDerWaalsContact SG-CA 3.55Å; S210-W222 CarbonylContact O-C 3.57Å; S210-W222 WeakPolarHBondContact O-CA 3.11Å; S210-W222 WeakPolarHBondContact O-CB 3.43Å; S210-T223 PolarHBondContact N-OG1 3.01Å; S210-T223 PolarHBondContact O-N 3.37Å; S210-V253 WeakPolarHBondContact CB-O 3.48Å; S210-C255 VanDerWaalsContact CB-SG 3.6Å; S210-C255 PolarHBondContact OG-N 3.31Å; S210-C255 PolarHBondContact OG-O 2.57Å; S210-C255 PolarHBondContact OG-SG 3.35Å |
| 211 | V | 98.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 31.6 Ų | 31.6 | 4% | 0.042 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 145.7 | 173.5 | -68.7 | 0 | 0 | 0 | 0 | 108.7 | C152 D154 A163 T171 V208 L220 A221 W222 | C152-V211 HydrophobicContact CB-CG2 4.36Å; D154-V211 HydrophobicContact CB-CG2 3.9Å; A163-V211 HydrophobicContact CB-CG2 4.34Å; T171-V211 HydrophobicContact CG2-CG1 3.95Å; V208-V211 HydrophobicContact CG1-CG1 4.07Å; V211-L220 HydrophobicContact CB-CD1 4.33Å; V211-A221 CarbonylContact C-O 3.55Å; V211-A221 WeakPolarHBondContact CA-O 3.39Å; V211-W222 HydrophobicContact CB-CB 4.49Å; V211-W222 HydrophobicContact CG1-CB 3.77Å |
| 212 | S | 98.9 | Very high | 97.7 | Very high | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.021 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 125.9 | 174.9 | -175.2 | 0 | 0 | 0 | 0 | 111.3 | D154 A221 C255 W257 | D154-S212 WeakPolarHBondContact OD2-CA 3.36Å; S212-A221 PolarHBondContact N-O 3.16Å; S212-A221 PolarHBondContact O-N 2.92Å; S212-C255 WeakPolarHBondContact CB-O 3.5Å; S212-W257 PolarHBondContact O-NE1 3.3Å; S212-W257 PolarHBondContact OG-N 2.88Å; S212-W257 VanDerWaalsContact OG-N 3.16Å |
| 213 | F | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 143.7 | 168.3 | -78 | -72.5 | 0 | 0 | 0 | 111.4 | D154 H156 A163 I173 W187 K219 L220 W257 R340 | D154-F213 HydrophobicContact CB-CD2 4.48Å; D154-F213 PolarHBondContact OD2-N 2.79Å; H156-F213 HydrophobicContact CB-CD2 3.98Å; H156-F213 HydrophobicContact CB-CE1 4.45Å; H156-F213 HydrophobicContact CB-CE2 3.71Å; H156-F213 HydrophobicContact CB-CG 4.42Å; H156-F213 HydrophobicContact CB-CZ 3.97Å; H156-F213 AromaticContact CD2-CD1 3.8Å; H156-F213 AromaticContact CD2-CE1 3.66Å; H156-F213 AromaticContact CD2-CZ 3.99Å; A163-F213 HydrophobicContact CB-CD2 4.14Å; A163-F213 HydrophobicContact CB-CE2 3.35Å; A163-F213 HydrophobicContact CB-CZ 3.67Å; I173-F213 HydrophobicContact CD1-CE1 3.76Å; I173-F213 HydrophobicContact CD1-CZ 3.75Å; I173-F213 HydrophobicContact CG1-CE1 4.44Å; I173-F213 HydrophobicContact CG1-CZ 3.95Å; I173-F213 HydrophobicContact CG2-CZ 4.18Å; W187-F213 AromaticContact CE2-CE1 3.94Å; W187-F213 HydrophobicContact CZ2-CD1 4.49Å; W187-F213 HydrophobicContact CZ2-CE1 4Å; W187-F213 AromaticContact NE1-CE1 3.8Å; F213-K219 CarbonylContact C-O 3.59Å; F213-K219 VanDerWaalsContact CA-O 3.31Å; F213-K219 WeakPolarHBondContact CA-O 3.49Å; F213-L220 HydrophobicContact CD1-CB 4.26Å; F213-L220 HydrophobicContact CD1-CD1 3.85Å; F213-L220 HydrophobicContact CD2-CD1 4.06Å; F213-L220 HydrophobicContact CE1-CB 4.23Å; F213-L220 HydrophobicContact CE1-CD1 3.93Å; F213-L220 HydrophobicContact CE2-CD1 4.16Å; F213-L220 HydrophobicContact CG-CD1 3.92Å; F213-L220 HydrophobicContact CZ-CD1 4.1Å; F213-W257 VanDerWaalsContact O-CD1 3.31Å; F213-R340 WeakPolarHBondContact O-CD 3.36Å; F213-R340 PolarHBondContact O-NH1 2.95Å |
| 214 | S | 98.7 | Very high | 98.1 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | trans | -61.8 | 164.9 | 164.8 | 55.9 | 0 | 0 | 0 | 0 | 111.1 | D216 G217 N218 K219 W257 | S214-D216 VanDerWaalsContact C-N 3.29Å; S214-D216 WeakPolarHBondContact CB-OD1 3.25Å; S214-D216 PolarHBondContact O-N 2.71Å; S214-D216 PolarHBondContact OG-OD1 2.8Å; S214-G217 WeakPolarHBondContact O-CA 3.46Å; S214-G217 PolarHBondContact O-N 2.77Å; S214-N218 PolarHBondContact OG-N 3.26Å; S214-K219 PolarHBondContact N-O 3.45Å; S214-K219 PolarHBondContact OG-N 3.16Å; S214-K219 PolarHBondContact OG-O 2.93Å; S214-W257 VanDerWaalsContact N-CD1 3.32Å | ||
| 215 | A | 98.3 | Very high | 98.3 | Very high | 37 Ų | 37 | 23.6 Ų | 23.6 | 31% | 0.306 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -37.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | P157 G217 R340 | P157-A215 WeakPolarHBondContact CG-O 3.44Å; A215-G217 VanDerWaalsContact C-N 3.26Å; A215-R340 HydrophobicContact CB-CB 3.84Å |
| 216 | D | 97.5 | Very high | 98.4 | Very high | 86 Ų | 86 | 24.3 Ų | 24.3 | 46% | 0.46 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -9.4 | 175.2 | 66 | -6.9 | 0 | 0 | 0 | 112.8 | S214 N218 | S214-D216 VanDerWaalsContact C-N 3.29Å; S214-D216 WeakPolarHBondContact CB-OD1 3.25Å; S214-D216 PolarHBondContact O-N 2.71Å; S214-D216 PolarHBondContact OG-OD1 2.8Å; D216-N218 VanDerWaalsContact CG-ND2 3.31Å; D216-N218 PolarHBondContact O-N 2.86Å; D216-N218 PolarHBondContact OD1-N 3.26Å; D216-N218 PolarHBondContact OD2-ND2 3.46Å |
| 217 | G | 98.1 | Very high | 98.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 75.3 | -1.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | H156 W187 S214 A215 K219 | H156-G217 PolarHBondContact CD2-O 3.24Å; H156-G217 WeakPolarHBondContact NE2-CA 3.16Å; H156-G217 PolarHBondContact NE2-O 3.15Å; H156-G217 VanDerWaalsContact NE2-O 3.17Å; W187-G217 PolarHBondContact NE1-O 3.48Å; S214-G217 WeakPolarHBondContact O-CA 3.46Å; S214-G217 PolarHBondContact O-N 2.77Å; A215-G217 VanDerWaalsContact C-N 3.26Å; G217-K219 VanDerWaalsContact C-N 3.26Å; G217-K219 PolarHBondContact O-N 2.99Å |
| 218 | N | 98.1 | Very high | 98.5 | Very high | 38 Ų | 38 | 17.9 Ų | 17.9 | 20% | 0.203 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -75.2 | -16.6 | -174.9 | -67.5 | -31.6 | 0 | 0 | 0 | 113.6 | V186 S214 D216 A234 | V186-N218 WeakPolarHBondContact CG1-OD1 3.45Å; V186-N218 HydrophobicContact CG2-CB 4.27Å; V186-N218 WeakPolarHBondContact CG2-OD1 3.33Å; S214-N218 PolarHBondContact OG-N 3.26Å; D216-N218 VanDerWaalsContact CG-ND2 3.31Å; D216-N218 PolarHBondContact O-N 2.86Å; D216-N218 PolarHBondContact OD1-N 3.26Å; D216-N218 PolarHBondContact OD2-ND2 3.46Å; N218-A234 PolarHBondContact O-N 2.71Å |
| 219 | K | 98.6 | Very high | 98.5 | Very high | 28 Ų | 28 | 17.9 Ų | 17.9 | 12% | 0.122 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 146.1 | -178.3 | -45.2 | -174.2 | -162 | -50.1 | 0 | 110.6 | F213 S214 G217 V231 A232 D233 S235 W257 Y277 | F213-K219 CarbonylContact C-O 3.59Å; F213-K219 VanDerWaalsContact CA-O 3.31Å; F213-K219 WeakPolarHBondContact CA-O 3.49Å; S214-K219 PolarHBondContact N-O 3.45Å; S214-K219 PolarHBondContact OG-N 3.16Å; S214-K219 PolarHBondContact OG-O 2.93Å; G217-K219 VanDerWaalsContact C-N 3.26Å; G217-K219 PolarHBondContact O-N 2.99Å; K219-V231 HydrophobicContact CB-CG1 4.31Å; K219-A232 CarbonylContact C-O 3.57Å; K219-A232 WeakPolarHBondContact CA-O 3.47Å; K219-D233 HydrophobicContact CG-CB 4.44Å; K219-D233 IonicContact NZ-OD1 3.28Å; K219-D233 PolarHBondContact NZ-OD1 3.04Å; K219-D233 IonicContact NZ-OD2 2.7Å; K219-D233 PolarHBondContact NZ-OD2 3.38Å; K219-S235 PolarHBondContact NZ-OG 3.15Å; K219-W257 HydrophobicContact CB-CH2 4.35Å; K219-W257 HydrophobicContact CB-CZ2 3.87Å; K219-W257 HydrophobicContact CD-CH2 4.08Å; K219-W257 HydrophobicContact CD-CZ2 4.45Å; K219-Y277 HydrophobicContact CD-CD1 3.73Å; K219-Y277 HydrophobicContact CD-CE1 3.74Å |
| 220 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 118.7 | 173.9 | -177 | 72.8 | 0 | 0 | 0 | 108.7 | A163 T171 I173 W187 V211 F213 W222 V231 A232 | A163-L220 HydrophobicContact CB-CD1 3.58Å; A163-L220 HydrophobicContact CB-CD2 3.96Å; A163-L220 HydrophobicContact CB-CG 4.46Å; T171-L220 HydrophobicContact CG2-CD2 3.61Å; I173-L220 HydrophobicContact CD1-CD2 4.07Å; I173-L220 HydrophobicContact CG1-CD2 4.06Å; W187-L220 HydrophobicContact CH2-CB 4Å; W187-L220 HydrophobicContact CZ2-CB 4.14Å; V211-L220 HydrophobicContact CB-CD1 4.33Å; F213-L220 HydrophobicContact CD1-CB 4.26Å; F213-L220 HydrophobicContact CD1-CD1 3.85Å; F213-L220 HydrophobicContact CD2-CD1 4.06Å; F213-L220 HydrophobicContact CE1-CB 4.23Å; F213-L220 HydrophobicContact CE1-CD1 3.93Å; F213-L220 HydrophobicContact CE2-CD1 4.16Å; F213-L220 HydrophobicContact CG-CD1 3.92Å; F213-L220 HydrophobicContact CZ-CD1 4.1Å; L220-W222 HydrophobicContact CD2-CE3 4.15Å; L220-W222 HydrophobicContact CD2-CZ3 4.39Å; L220-W222 HydrophobicContact CG-CE3 4.11Å; L220-W222 HydrophobicContact CG-CZ3 4.49Å; L220-W222 VanDerWaalsContact O-CZ3 3.32Å; L220-W222 WeakPolarHBondContact O-CZ3 3.31Å; L220-V231 CarbonylContact O-C 3.52Å; L220-V231 VanDerWaalsContact O-CA 3.3Å; L220-V231 WeakPolarHBondContact O-CA 3.42Å; L220-A232 PolarHBondContact N-O 3.45Å; L220-A232 PolarHBondContact O-N 2.92Å |
| 221 | A | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.008 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 142.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | V211 S212 F230 V231 W257 F263 | V211-A221 CarbonylContact C-O 3.55Å; V211-A221 WeakPolarHBondContact CA-O 3.39Å; S212-A221 PolarHBondContact N-O 3.16Å; S212-A221 PolarHBondContact O-N 2.92Å; A221-F230 CarbonylContact C-O 3.57Å; A221-F230 VanDerWaalsContact CA-O 3.26Å; A221-F230 WeakPolarHBondContact CA-O 3.4Å; A221-V231 HydrophobicContact CB-CG2 4.12Å; A221-W257 HydrophobicContact CB-CZ2 4.04Å; A221-F263 HydrophobicContact CB-CD2 4.46Å |
| 222 | W | 98.9 | Very high | 98.4 | Very high | 2 Ų | 2 | 15.5 Ų | 15.5 | 1% | 0.008 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 158.6 | 170.1 | 68.5 | 93.2 | 0 | 0 | 0 | 112.8 | T171 F198 H200 V208 S210 V211 L220 I229 F230 A232 V242 | T171-W222 HydrophobicContact CG2-CB 4.48Å; T171-W222 HydrophobicContact CG2-CD2 3.87Å; T171-W222 HydrophobicContact CG2-CE3 4.02Å; T171-W222 HydrophobicContact CG2-CG 4.11Å; T171-W222 PolarHBondContact OG1-NE1 3.12Å; F198-W222 HydrophobicContact CE1-CH2 4.19Å; F198-W222 HydrophobicContact CE1-CZ3 4.36Å; F198-W222 AromaticContact CZ-CH2 3.99Å; F198-W222 HydrophobicContact CZ-CH2 3.99Å; F198-W222 HydrophobicContact CZ-CZ3 4.42Å; H200-W222 HydrophobicContact CB-CZ2 4.37Å; H200-W222 AromaticContact CG-CZ2 3.98Å; H200-W222 AromaticContact ND1-CZ2 3.5Å; V208-W222 HydrophobicContact CG1-CB 4.13Å; V208-W222 HydrophobicContact CG1-CG 4.37Å; S210-W222 CarbonylContact O-C 3.57Å; S210-W222 WeakPolarHBondContact O-CA 3.11Å; S210-W222 WeakPolarHBondContact O-CB 3.43Å; V211-W222 HydrophobicContact CB-CB 4.49Å; V211-W222 HydrophobicContact CG1-CB 3.77Å; L220-W222 HydrophobicContact CD2-CE3 4.15Å; L220-W222 HydrophobicContact CD2-CZ3 4.39Å; L220-W222 HydrophobicContact CG-CE3 4.11Å; L220-W222 HydrophobicContact CG-CZ3 4.49Å; L220-W222 VanDerWaalsContact O-CZ3 3.32Å; L220-W222 WeakPolarHBondContact O-CZ3 3.31Å; W222-I229 WeakPolarHBondContact O-CA 3.33Å; W222-F230 AromaticContact CD1-CD2 3.92Å; W222-F230 HydrophobicContact CD2-CB 3.53Å; W222-F230 HydrophobicContact CD2-CG 4.34Å; W222-F230 AromaticContact CE2-CD2 3.93Å; W222-F230 AromaticContact CE2-CG 3.5Å; W222-F230 VanDerWaalsContact CE2-CG 3.5Å; W222-F230 HydrophobicContact CE3-CB 3.97Å; W222-F230 HydrophobicContact CG-CB 4.11Å; W222-F230 HydrophobicContact CH2-CB 3.68Å; W222-F230 HydrophobicContact CH2-CG 4.38Å; W222-F230 HydrophobicContact CZ2-CB 3.2Å; W222-F230 AromaticContact CZ2-CD1 3.75Å; W222-F230 HydrophobicContact CZ2-CD1 3.75Å; W222-F230 HydrophobicContact CZ2-CD2 4.33Å; W222-F230 AromaticContact CZ2-CG 3.52Å; W222-F230 HydrophobicContact CZ2-CG 3.52Å; W222-F230 HydrophobicContact CZ3-CB 4.04Å; W222-F230 PolarHBondContact N-O 2.59Å; W222-F230 AromaticContact NE1-CD2 3.35Å; W222-F230 VanDerWaalsContact NE1-CD2 3.35Å; W222-F230 AromaticContact NE1-CG 3.44Å; W222-F230 PolarHBondContact O-N 2.66Å; W222-A232 HydrophobicContact CH2-CB 3.86Å; W222-A232 HydrophobicContact CZ3-CB 3.57Å; W222-V242 HydrophobicContact CH2-CG1 3.64Å; W222-V242 HydrophobicContact CH2-CG2 4.28Å; W222-V242 HydrophobicContact CZ2-CG1 3.93Å |
| 223 | T | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 148.1 | -179.2 | 56.4 | 0 | 0 | 0 | 0 | 110.4 | V208 L209 S210 I229 F252 C255 A265 | V208-T223 CarbonylContact C-O 3.57Å; V208-T223 WeakPolarHBondContact CA-O 3.1Å; L209-T223 PolarHBondContact N-O 2.84Å; S210-T223 PolarHBondContact N-OG1 3.01Å; S210-T223 PolarHBondContact O-N 3.37Å; T223-I229 HydrophobicContact CG2-CG1 4.29Å; T223-F252 HydrophobicContact CG2-CB 3.77Å; T223-F252 PolarHBondContact OG1-O 2.84Å; T223-C255 HydrophobicContact CG2-CB 3.73Å; T223-A265 HydrophobicContact CG2-CB 4.25Å |
| 224 | K | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 15.9 Ų | 15.9 | 1% | 0.013 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 154.5 | 177.8 | -70.3 | 178.1 | 71 | -170.2 | 0 | 111.6 | D202 G205 G206 W207 V208 N226 S227 T228 F230 | D202-K224 IonicContact OD1-NZ 2.69Å; D202-K224 PolarHBondContact OD1-NZ 3.29Å; D202-K224 IonicContact OD2-NZ 3.57Å; D202-K224 PolarHBondContact OD2-NZ 3.05Å; G205-K224 WeakPolarHBondContact O-CE 3.27Å; G205-K224 PolarHBondContact O-NZ 3.44Å; G206-K224 WeakPolarHBondContact O-CE 3.31Å; W207-K224 CarbonylContact O-C 3.5Å; W207-K224 WeakPolarHBondContact O-CA 3.45Å; V208-K224 HydrophobicContact CG2-CG 4.21Å; K224-N226 WeakPolarHBondContact CB-OD1 3.43Å; K224-N226 PolarHBondContact O-N 2.88Å; K224-S227 PolarHBondContact O-N 2.83Å; K224-S227 VanDerWaalsContact O-N 3.14Å; K224-T228 PolarHBondContact N-O 2.89Å; K224-F230 HydrophobicContact CD-CD2 4.23Å; K224-F230 HydrophobicContact CD-CE2 3.63Å; K224-F230 HydrophobicContact CD-CZ 4.43Å; K224-F230 HydrophobicContact CG-CE2 4.39Å |
| 225 | H | 98.1 | Very high | 98.2 | Very high | 81 Ų | 81 | 18.8 Ų | 18.8 | 38% | 0.375 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -14.8 | 177.3 | -165 | -72.3 | 0 | 0 | 0 | 113.5 | W207 L209 S227 P251 | W207-H225 HydrophobicContact CB-CB 4.42Å; W207-H225 PolarHBondContact O-N 3.37Å; L209-H225 HydrophobicContact CD1-CB 3.93Å; L209-H225 HydrophobicContact CG-CB 4.3Å; H225-S227 PolarHBondContact O-N 2.85Å; H225-P251 WeakPolarHBondContact O-CG 3.25Å |
| 226 | N | 96.9 | Very high | 97.9 | Very high | 28 Ų | 28 | 20.6 Ų | 20.6 | 15% | 0.15 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 29.4 | 174.5 | 69.4 | -8.6 | 0 | 0 | 0 | 112.4 | G205 K224 T228 R246 | G205-N226 PolarHBondContact O-ND2 2.8Å; K224-N226 WeakPolarHBondContact CB-OD1 3.43Å; K224-N226 PolarHBondContact O-N 2.88Å; N226-T228 PolarHBondContact O-N 2.81Å; N226-T228 VanDerWaalsContact O-N 3.16Å; N226-T228 PolarHBondContact O-OG1 2.79Å; N226-T228 VanDerWaalsContact OD1-CB 3.28Å; N226-T228 WeakPolarHBondContact OD1-CB 3.49Å; N226-T228 PolarHBondContact OD1-N 3.02Å; N226-T228 PolarHBondContact OD1-OG1 2.94Å; N226-R246 PolarHBondContact O-NE 2.95Å; N226-R246 PolarHBondContact O-NH1 2.97Å |
| 227 | S | 97.8 | Very high | 97.6 | Very high | 13 Ų | 13 | 19.1 Ų | 19.1 | 9% | 0.091 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 37.9 | -177.1 | -48.3 | 0 | 0 | 0 | 0 | 115.1 | K224 H225 T247 F249 P251 | K224-S227 PolarHBondContact O-N 2.83Å; K224-S227 VanDerWaalsContact O-N 3.14Å; H225-S227 PolarHBondContact O-N 2.85Å; S227-T247 PolarHBondContact O-N 2.9Å; S227-T247 PolarHBondContact O-OG1 2.98Å; S227-F249 WeakPolarHBondContact CB-O 3.37Å; S227-F249 PolarHBondContact OG-O 2.89Å; S227-P251 WeakPolarHBondContact OG-CD 3.17Å |
| 228 | T | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 136.3 | 178.2 | -50.7 | 0 | 0 | 0 | 0 | 110.1 | K224 N226 F230 R244 L245 R246 | K224-T228 PolarHBondContact N-O 2.89Å; N226-T228 PolarHBondContact O-N 2.81Å; N226-T228 VanDerWaalsContact O-N 3.16Å; N226-T228 PolarHBondContact O-OG1 2.79Å; N226-T228 VanDerWaalsContact OD1-CB 3.28Å; N226-T228 WeakPolarHBondContact OD1-CB 3.49Å; N226-T228 PolarHBondContact OD1-N 3.02Å; N226-T228 PolarHBondContact OD1-OG1 2.94Å; T228-F230 HydrophobicContact CG2-CD2 3.97Å; T228-F230 HydrophobicContact CG2-CE2 3.27Å; T228-F230 HydrophobicContact CG2-CZ 3.68Å; T228-R244 HydrophobicContact CG2-CG 3.38Å; T228-L245 WeakPolarHBondContact CA-O 3.28Å; T228-L245 WeakPolarHBondContact CG2-O 3.47Å; T228-R246 WeakPolarHBondContact OG1-CD 3.15Å |
| 229 | I | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 142.3 | 174.5 | -53.4 | -177.1 | 0 | 0 | 0 | 108.4 | W222 T223 L245 T247 F252 F263 F275 I282 | W222-I229 WeakPolarHBondContact O-CA 3.33Å; T223-I229 HydrophobicContact CG2-CG1 4.29Å; I229-L245 PolarHBondContact N-O 2.89Å; I229-L245 PolarHBondContact O-N 2.82Å; I229-T247 HydrophobicContact CD1-CG2 4.06Å; I229-T247 HydrophobicContact CG1-CG2 4.2Å; I229-F252 HydrophobicContact CD1-CD2 3.83Å; I229-F252 HydrophobicContact CD1-CE2 3.71Å; I229-F252 HydrophobicContact CG1-CD2 3.98Å; I229-F252 HydrophobicContact CG1-CE2 4.19Å; I229-F263 HydrophobicContact CG2-CE2 3.67Å; I229-F263 HydrophobicContact CG2-CZ 3.76Å; I229-F275 HydrophobicContact CD1-CD1 3.98Å; I229-F275 HydrophobicContact CD1-CD2 3.83Å; I229-F275 HydrophobicContact CD1-CE1 3.6Å; I229-F275 HydrophobicContact CD1-CE2 3.42Å; I229-F275 VanDerWaalsContact CD1-CE2 3.42Å; I229-F275 HydrophobicContact CD1-CG 4.1Å; I229-F275 HydrophobicContact CD1-CZ 3.31Å; I229-I282 HydrophobicContact CG2-CD1 4.38Å |
| 230 | F | 98.8 | Very high | 97 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 1% | 0.013 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 152.7 | 175.5 | -68.9 | -98.7 | 0 | 0 | 0 | 110.9 | H200 D202 A221 W222 K224 T228 V242 T243 R244 | H200-F230 AromaticContact CE1-CD1 3.9Å; H200-F230 AromaticContact CE1-CE1 3.63Å; D202-F230 HydrophobicContact CB-CE1 4.38Å; D202-F230 HydrophobicContact CB-CZ 4.11Å; D202-F230 VanDerWaalsContact OD2-CZ 3.25Å; D202-F230 WeakPolarHBondContact OD2-CZ 3.28Å; A221-F230 CarbonylContact C-O 3.57Å; A221-F230 VanDerWaalsContact CA-O 3.26Å; A221-F230 WeakPolarHBondContact CA-O 3.4Å; W222-F230 AromaticContact CD1-CD2 3.92Å; W222-F230 HydrophobicContact CD2-CB 3.53Å; W222-F230 HydrophobicContact CD2-CG 4.34Å; W222-F230 AromaticContact CE2-CD2 3.93Å; W222-F230 AromaticContact CE2-CG 3.5Å; W222-F230 VanDerWaalsContact CE2-CG 3.5Å; W222-F230 HydrophobicContact CE3-CB 3.97Å; W222-F230 HydrophobicContact CG-CB 4.11Å; W222-F230 HydrophobicContact CH2-CB 3.68Å; W222-F230 HydrophobicContact CH2-CG 4.38Å; W222-F230 HydrophobicContact CZ2-CB 3.2Å; W222-F230 AromaticContact CZ2-CD1 3.75Å; W222-F230 HydrophobicContact CZ2-CD1 3.75Å; W222-F230 HydrophobicContact CZ2-CD2 4.33Å; W222-F230 AromaticContact CZ2-CG 3.52Å; W222-F230 HydrophobicContact CZ2-CG 3.52Å; W222-F230 HydrophobicContact CZ3-CB 4.04Å; W222-F230 PolarHBondContact N-O 2.59Å; W222-F230 AromaticContact NE1-CD2 3.35Å; W222-F230 VanDerWaalsContact NE1-CD2 3.35Å; W222-F230 AromaticContact NE1-CG 3.44Å; W222-F230 PolarHBondContact O-N 2.66Å; K224-F230 HydrophobicContact CD-CD2 4.23Å; K224-F230 HydrophobicContact CD-CE2 3.63Å; K224-F230 HydrophobicContact CD-CZ 4.43Å; K224-F230 HydrophobicContact CG-CE2 4.39Å; T228-F230 HydrophobicContact CG2-CD2 3.97Å; T228-F230 HydrophobicContact CG2-CE2 3.27Å; T228-F230 HydrophobicContact CG2-CZ 3.68Å; F230-V242 HydrophobicContact CD1-CG1 3.75Å; F230-T243 VanDerWaalsContact CA-O 3.23Å; F230-T243 WeakPolarHBondContact CA-O 3.41Å; F230-R244 HydrophobicContact CD1-CB 3.94Å; F230-R244 HydrophobicContact CD1-CG 4.05Å; F230-R244 HydrophobicContact CE1-CB 3.69Å; F230-R244 HydrophobicContact CE1-CG 3.5Å; F230-R244 VanDerWaalsContact CE1-CG 3.5Å; F230-R244 HydrophobicContact CE2-CG 4.21Å; F230-R244 HydrophobicContact CZ-CB 4.29Å; F230-R244 HydrophobicContact CZ-CG 3.57Å |
| 231 | V | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 122.7 | 166.4 | 176.2 | 0 | 0 | 0 | 0 | 108 | K219 L220 A221 V242 T243 W257 F263 Y277 I282 | K219-V231 HydrophobicContact CB-CG1 4.31Å; L220-V231 CarbonylContact O-C 3.52Å; L220-V231 VanDerWaalsContact O-CA 3.3Å; L220-V231 WeakPolarHBondContact O-CA 3.42Å; A221-V231 HydrophobicContact CB-CG2 4.12Å; V231-V242 WeakPolarHBondContact O-CA 3.43Å; V231-T243 PolarHBondContact N-O 3.36Å; V231-T243 PolarHBondContact O-N 2.82Å; V231-W257 HydrophobicContact CG1-CH2 4.39Å; V231-W257 HydrophobicContact CG1-CZ2 4.03Å; V231-W257 HydrophobicContact CG2-CZ2 4.25Å; V231-F263 HydrophobicContact CG2-CE1 3.92Å; V231-F263 HydrophobicContact CG2-CZ 4.12Å; V231-Y277 HydrophobicContact CB-CD2 3.74Å; V231-Y277 HydrophobicContact CB-CE2 4Å; V231-Y277 HydrophobicContact CB-CG 4.13Å; V231-Y277 HydrophobicContact CG1-CD1 3.88Å; V231-Y277 HydrophobicContact CG1-CD2 3.73Å; V231-Y277 HydrophobicContact CG1-CE1 4Å; V231-Y277 HydrophobicContact CG1-CE2 3.84Å; V231-Y277 HydrophobicContact CG1-CG 3.73Å; V231-Y277 HydrophobicContact CG2-CD2 4.08Å; V231-Y277 HydrophobicContact CG2-CG 4.21Å; V231-I282 HydrophobicContact CB-CD1 4.05Å; V231-I282 HydrophobicContact CB-CG1 4.25Å; V231-I282 HydrophobicContact CG2-CD1 3.75Å; V231-I282 HydrophobicContact CG2-CG1 3.87Å |
| 232 | A | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 133.8 | 165 | 0 | 0 | 0 | 0 | 0 | 109.1 | W187 F198 K219 L220 W222 P240 T241 V242 | W187-A232 HydrophobicContact CH2-CB 3.84Å; W187-A232 HydrophobicContact CZ3-CB 4.21Å; F198-A232 HydrophobicContact CE1-CB 4.35Å; F198-A232 HydrophobicContact CE2-CB 4.06Å; F198-A232 HydrophobicContact CZ-CB 3.7Å; K219-A232 CarbonylContact C-O 3.57Å; K219-A232 WeakPolarHBondContact CA-O 3.47Å; L220-A232 PolarHBondContact N-O 3.45Å; L220-A232 PolarHBondContact O-N 2.92Å; W222-A232 HydrophobicContact CH2-CB 3.86Å; W222-A232 HydrophobicContact CZ3-CB 3.57Å; A232-P240 HydrophobicContact CB-CB 4.49Å; A232-T241 CarbonylContact C-O 3.58Å; A232-T241 WeakPolarHBondContact CA-O 3.18Å; A232-V242 HydrophobicContact CB-CG2 4Å |
| 233 | D | 98.3 | Very high | 96.8 | Very high | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.032 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 109.8 | 176.8 | -168.9 | -19.2 | 0 | 0 | 0 | 110.2 | K219 S235 I236 P240 T241 Y277 | K219-D233 HydrophobicContact CG-CB 4.44Å; K219-D233 IonicContact NZ-OD1 3.28Å; K219-D233 PolarHBondContact NZ-OD1 3.04Å; K219-D233 IonicContact NZ-OD2 2.7Å; K219-D233 PolarHBondContact NZ-OD2 3.38Å; D233-S235 VanDerWaalsContact C-N 3.34Å; D233-S235 WeakPolarHBondContact OD1-CB 3.4Å; D233-S235 PolarHBondContact OD1-N 3.12Å; D233-S235 PolarHBondContact OD1-OG 3.13Å; D233-I236 HydrophobicContact CB-CD1 3.9Å; D233-I236 HydrophobicContact CB-CG1 4.32Å; D233-I236 WeakPolarHBondContact OD2-CD1 3.29Å; D233-P240 WeakPolarHBondContact O-CA 3.28Å; D233-T241 PolarHBondContact N-O 3.47Å; D233-T241 PolarHBondContact O-N 3.44Å; D233-Y277 HydrophobicContact CB-CE1 4.15Å; D233-Y277 VanDerWaalsContact CB-OH 3.26Å; D233-Y277 WeakPolarHBondContact CB-OH 3.05Å; D233-Y277 WeakPolarHBondContact OD2-CE1 2.78Å; D233-Y277 PolarHBondContact OD2-OH 2.85Å |
| 234 | A | 97.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -86.3 | -5.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V186 W187 N218 P240 | V186-A234 HydrophobicContact CB-CB 3.92Å; V186-A234 HydrophobicContact CG2-CB 3.61Å; W187-A234 HydrophobicContact CD2-CB 3.73Å; W187-A234 HydrophobicContact CE3-CB 3.78Å; W187-A234 HydrophobicContact CG-CB 4.38Å; W187-A234 HydrophobicContact CH2-CB 4.01Å; W187-A234 HydrophobicContact CZ2-CB 3.95Å; W187-A234 HydrophobicContact CZ3-CB 3.93Å; N218-A234 PolarHBondContact O-N 2.71Å; A234-P240 HydrophobicContact CB-CB 4.19Å; A234-P240 HydrophobicContact CB-CG 3.95Å |
| 235 | S | 95.7 | Very high | 96.8 | Very high | 62 Ų | 62 | 39.6 Ų | 39.6 | 43% | 0.434 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -86.5 | -13.5 | -176.9 | 65.3 | 0 | 0 | 0 | 0 | 114.5 | K219 D233 | K219-S235 PolarHBondContact NZ-OG 3.15Å; D233-S235 VanDerWaalsContact C-N 3.34Å; D233-S235 WeakPolarHBondContact OD1-CB 3.4Å; D233-S235 PolarHBondContact OD1-N 3.12Å; D233-S235 PolarHBondContact OD1-OG 3.13Å |
| 236 | I | 92.2 | Very high | 96.8 | Very high | 75 Ų | 75 | 42.3 Ų | 42.3 | 39% | 0.385 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -86 | -40.8 | -170.7 | -62 | 175.5 | 0 | 0 | 0 | 112.2 | D233 Q280 | D233-I236 HydrophobicContact CB-CD1 3.9Å; D233-I236 HydrophobicContact CB-CG1 4.32Å; D233-I236 WeakPolarHBondContact OD2-CD1 3.29Å; I236-Q280 HydrophobicContact CD1-CG 3.5Å; I236-Q280 VanDerWaalsContact CD1-CG 3.5Å |
| 237 | S | 91.4 | Very high | 96.8 | Very high | 54 Ų | 54 | 41.4 Ų | 41.4 | 38% | 0.378 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -147.6 | 172.3 | -174.4 | 94.1 | 0 | 0 | 0 | 0 | 111 | T239 | S237-T239 PolarHBondContact O-N 2.92Å; S237-T239 VanDerWaalsContact O-N 3.15Å; S237-T239 PolarHBondContact OG-N 3.37Å; S237-T239 PolarHBondContact OG-O 2.97Å |
| 238 | A | 90.7 | Very high | 96.7 | Very high | 112 Ų | 112 | 49.2 Ų | 49.2 | 93% | 0.926 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -59.8 | -24.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 239 | T | 94 | Very high | 96.7 | Very high | 99 Ų | 99 | 51.6 Ų | 51.6 | 61% | 0.607 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -113 | 136.4 | 171.7 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | S237 T241 | S237-T239 PolarHBondContact O-N 2.92Å; S237-T239 VanDerWaalsContact O-N 3.15Å; S237-T239 PolarHBondContact OG-N 3.37Å; S237-T239 PolarHBondContact OG-O 2.97Å; T239-T241 PolarHBondContact O-N 3.36Å |
| 240 | P | 96.7 | Very high | 96.6 | Very high | 33 Ų | 33 | 56 Ų | 56 | 21% | 0.214 | 31% | 0.311 | C | S | . | . | trans | -58.6 | 126.9 | 179.2 | -25.6 | 34.8 | 0 | 0 | 0 | 112.4 | W187 F198 A232 D233 A234 | W187-P240 HydrophobicContact CE3-CB 4.33Å; W187-P240 HydrophobicContact CE3-CG 3.71Å; W187-P240 HydrophobicContact CH2-CB 4.46Å; W187-P240 HydrophobicContact CZ3-CB 3.72Å; W187-P240 HydrophobicContact CZ3-CG 3.61Å; F198-P240 HydrophobicContact CD2-CB 4.1Å; F198-P240 HydrophobicContact CD2-CG 3.98Å; F198-P240 HydrophobicContact CE2-CB 3.98Å; F198-P240 HydrophobicContact CE2-CG 4.37Å; A232-P240 HydrophobicContact CB-CB 4.49Å; D233-P240 WeakPolarHBondContact O-CA 3.28Å; A234-P240 HydrophobicContact CB-CB 4.19Å; A234-P240 HydrophobicContact CB-CG 3.95Å | ||
| 241 | T | 97.2 | Very high | 96.6 | Very high | 36 Ų | 36 | 56.7 Ų | 56.7 | 22% | 0.221 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 125.2 | 175.9 | -60.9 | 0 | 0 | 0 | 0 | 109.1 | A232 D233 T239 Q280 | A232-T241 CarbonylContact C-O 3.58Å; A232-T241 WeakPolarHBondContact CA-O 3.18Å; D233-T241 PolarHBondContact N-O 3.47Å; D233-T241 PolarHBondContact O-N 3.44Å; T239-T241 PolarHBondContact O-N 3.36Å; T241-Q280 HydrophobicContact CG2-CG 4.31Å |
| 242 | V | 98.2 | Very high | 96.6 | Very high | 45 Ų | 45 | 56.8 Ų | 56.8 | 27% | 0.273 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 118.4 | 179.7 | -177.2 | 0 | 0 | 0 | 0 | 110.6 | F198 W222 F230 V231 A232 | F198-V242 HydrophobicContact CE2-CG2 3.97Å; F198-V242 HydrophobicContact CZ-CG2 3.83Å; W222-V242 HydrophobicContact CH2-CG1 3.64Å; W222-V242 HydrophobicContact CH2-CG2 4.28Å; W222-V242 HydrophobicContact CZ2-CG1 3.93Å; F230-V242 HydrophobicContact CD1-CG1 3.75Å; V231-V242 WeakPolarHBondContact O-CA 3.43Å; A232-V242 HydrophobicContact CB-CG2 4Å |
| 243 | T | 98.3 | Very high | 96.6 | Very high | 17 Ų | 17 | 58.2 Ų | 58.2 | 10% | 0.104 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 143.3 | 174.5 | -56.3 | 0 | 0 | 0 | 0 | 109.9 | F230 V231 Y277 Q280 I282 | F230-T243 VanDerWaalsContact CA-O 3.23Å; F230-T243 WeakPolarHBondContact CA-O 3.41Å; V231-T243 PolarHBondContact N-O 3.36Å; V231-T243 PolarHBondContact O-N 2.82Å; T243-Y277 HydrophobicContact CG2-CE2 4.4Å; T243-Q280 WeakPolarHBondContact CG2-O 3.44Å; T243-Q280 PolarHBondContact OG1-O 2.88Å; T243-Q280 VanDerWaalsContact OG1-O 3.1Å; T243-I282 HydrophobicContact CG2-CD1 4.02Å; T243-I282 HydrophobicContact CG2-CG1 3.84Å |
| 244 | R | 98 | Very high | 96.6 | Very high | 118 Ų | 118 | 58.3 Ų | 58.3 | 45% | 0.445 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 139.2 | -178.8 | -174.7 | -179.1 | 93.4 | 171.6 | 8.7 | 111.4 | E204 T228 F230 | E204-R244 IonicContact OE1-CZ 3.14Å; E204-R244 IonicContact OE1-NH1 3.69Å; E204-R244 PolarHBondContact OE1-NH1 3.2Å; E204-R244 IonicContact OE1-NH2 2.93Å; E204-R244 IonicContact OE2-CZ 2.97Å; E204-R244 IonicContact OE2-NH1 2.7Å; E204-R244 PolarHBondContact OE2-NH1 3.38Å; T228-R244 HydrophobicContact CG2-CG 3.38Å; F230-R244 HydrophobicContact CD1-CB 3.94Å; F230-R244 HydrophobicContact CD1-CG 4.05Å; F230-R244 HydrophobicContact CE1-CB 3.69Å; F230-R244 HydrophobicContact CE1-CG 3.5Å; F230-R244 VanDerWaalsContact CE1-CG 3.5Å; F230-R244 HydrophobicContact CE2-CG 4.21Å; F230-R244 HydrophobicContact CZ-CB 4.29Å; F230-R244 HydrophobicContact CZ-CG 3.57Å |
| 245 | L | 98.3 | Very high | 96.6 | Very high | 44 Ų | 44 | 58.3 Ų | 58.3 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 113.9 | 166.1 | 176.2 | 67.9 | 0 | 0 | 0 | 110 | T228 I229 T247 F275 I282 | T228-L245 WeakPolarHBondContact CA-O 3.28Å; T228-L245 WeakPolarHBondContact CG2-O 3.47Å; I229-L245 PolarHBondContact N-O 2.89Å; I229-L245 PolarHBondContact O-N 2.82Å; L245-T247 HydrophobicContact CD2-CG2 3.93Å; L245-T247 HydrophobicContact CG-CG2 3.92Å; L245-F275 HydrophobicContact CD2-CD1 4.01Å; L245-F275 HydrophobicContact CD2-CE1 3.89Å; L245-I282 HydrophobicContact CB-CB 3.91Å; L245-I282 HydrophobicContact CB-CD1 4.3Å; L245-I282 HydrophobicContact CB-CG2 4.08Å; L245-I282 HydrophobicContact CD2-CB 4.24Å; L245-I282 HydrophobicContact CD2-CG2 3.74Å |
| 246 | R | 97.8 | Very high | 96.8 | Very high | 137 Ų | 137 | 56.3 Ų | 56.3 | 52% | 0.517 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 122.3 | 165.1 | -172.7 | 75.6 | 165.7 | 88.8 | -5.4 | 107.1 | N226 T228 | N226-R246 PolarHBondContact O-NE 2.95Å; N226-R246 PolarHBondContact O-NH1 2.97Å; T228-R246 WeakPolarHBondContact OG1-CD 3.15Å |
| 247 | T | 97.4 | Very high | 97.1 | Very high | 9 Ų | 9 | 52.8 Ų | 52.8 | 6% | 0.055 | 29% | 0.292 | C | S | . | . | trans | -101.2 | 156.1 | -179.2 | 68.2 | 0 | 0 | 0 | 0 | 111.2 | S227 I229 L245 F249 F252 F275 | S227-T247 PolarHBondContact O-N 2.9Å; S227-T247 PolarHBondContact O-OG1 2.98Å; I229-T247 HydrophobicContact CD1-CG2 4.06Å; I229-T247 HydrophobicContact CG1-CG2 4.2Å; L245-T247 HydrophobicContact CD2-CG2 3.93Å; L245-T247 HydrophobicContact CG-CG2 3.92Å; T247-F249 HydrophobicContact CG2-CD2 4.3Å; T247-F252 HydrophobicContact CG2-CE2 4.23Å; T247-F275 HydrophobicContact CG2-CE1 4.21Å; T247-F275 HydrophobicContact CG2-CZ 4.35Å | ||
| 248 | D | 95.8 | Very high | 97.4 | Very high | 177 Ų | 177 | 50.2 Ų | 50.2 | 95% | 0.947 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -81.5 | -4.3 | 170.1 | -63.1 | -37 | 0 | 0 | 0 | 112.6 | ||
| 249 | F | 97.2 | Very high | 97.8 | Very high | 52 Ų | 52 | 44.9 Ų | 44.9 | 23% | 0.228 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -74 | 160.3 | 176.5 | -59.9 | -59.2 | 0 | 0 | 0 | 111.5 | S227 T247 F252 D269 M273 F275 F284 | S227-F249 WeakPolarHBondContact CB-O 3.37Å; S227-F249 PolarHBondContact OG-O 2.89Å; T247-F249 HydrophobicContact CG2-CD2 4.3Å; F249-F252 HydrophobicContact CB-CE1 4.46Å; F249-F252 HydrophobicContact CB-CE2 4.13Å; F249-F252 HydrophobicContact CB-CZ 3.69Å; F249-F252 HydrophobicContact CD2-CE2 4.24Å; F249-F252 AromaticContact CD2-CZ 3.69Å; F249-F252 HydrophobicContact CD2-CZ 3.69Å; F249-F252 AromaticContact CG-CZ 3.91Å; F249-F252 HydrophobicContact CG-CZ 3.91Å; F249-D269 WeakPolarHBondContact CB-OD2 3.29Å; F249-M273 HydrophobicContact CD1-CE 3.95Å; F249-M273 HydrophobicContact CE1-CE 3.81Å; F249-M273 HydrophobicContact CE1-SD 4.29Å; F249-M273 HydrophobicContact CZ-CE 4.39Å; F249-M273 HydrophobicContact CZ-SD 4.29Å; F249-F275 HydrophobicContact CD2-CZ 4.33Å; F249-F275 HydrophobicContact CE2-CZ 4.3Å; F249-F284 AromaticContact CE2-CD2 3.74Å; F249-F284 HydrophobicContact CE2-CD2 3.74Å; F249-F284 AromaticContact CE2-CE2 3.97Å; F249-F284 HydrophobicContact CE2-CE2 3.97Å; F249-F284 HydrophobicContact CE2-CG 4.12Å; F249-F284 HydrophobicContact CZ-CD1 4.45Å; F249-F284 AromaticContact CZ-CD2 3.95Å; F249-F284 HydrophobicContact CZ-CD2 3.95Å; F249-F284 HydrophobicContact CZ-CE1 4.27Å; F249-F284 AromaticContact CZ-CE2 3.75Å; F249-F284 HydrophobicContact CZ-CE2 3.75Å; F249-F284 HydrophobicContact CZ-CG 4.29Å; F249-F284 AromaticContact CZ-CZ 3.9Å; F249-F284 HydrophobicContact CZ-CZ 3.9Å |
| 250 | L | 97.9 | Very high | 97.9 | Very high | 92 Ų | 92 | 43.6 Ų | 43.6 | 48% | 0.482 | 22% | 0.223 | S | C | . | . | P | Polyproline II helix | trans | -66.8 | 166 | 165 | -58.6 | 176.4 | 0 | 0 | 0 | 110.2 | F252 D269 | L250-F252 PolarHBondContact O-N 2.9Å; L250-D269 WeakPolarHBondContact CA-OD2 3.45Å; L250-D269 VanDerWaalsContact CB-OD2 3.28Å; L250-D269 WeakPolarHBondContact CB-OD2 3.12Å; L250-D269 PolarHBondContact N-OD2 3.14Å |
| 251 | P | 98.4 | Very high | 98 | Very high | 18 Ų | 18 | 42.4 Ų | 42.4 | 12% | 0.117 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -62.8 | 139.9 | -171.8 | -23.8 | 34.1 | 0 | 0 | 0 | 113.4 | L209 H225 S227 Y268 | L209-P251 HydrophobicContact CD1-CB 4.45Å; H225-P251 WeakPolarHBondContact O-CG 3.25Å; S227-P251 WeakPolarHBondContact OG-CD 3.17Å; P251-Y268 HydrophobicContact CB-CD2 3.93Å; P251-Y268 HydrophobicContact CB-CE2 4.33Å; P251-Y268 HydrophobicContact CG-CD2 4.24Å; P251-Y268 VanDerWaalsContact O-CD2 3.28Å; P251-Y268 WeakPolarHBondContact O-CD2 3.27Å; P251-Y268 PolarHBondContact O-N 2.69Å; P251-Y268 VanDerWaalsContact O-N 3.09Å |
| 252 | F | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 132.3 | 172 | -60 | -67.3 | 0 | 0 | 0 | 110.2 | L209 T223 I229 T247 F249 L250 A265 G266 M273 F275 | L209-F252 VanDerWaalsContact CD1-O 3.24Å; L209-F252 WeakPolarHBondContact CD1-O 3.12Å; T223-F252 HydrophobicContact CG2-CB 3.77Å; T223-F252 PolarHBondContact OG1-O 2.84Å; I229-F252 HydrophobicContact CD1-CD2 3.83Å; I229-F252 HydrophobicContact CD1-CE2 3.71Å; I229-F252 HydrophobicContact CG1-CD2 3.98Å; I229-F252 HydrophobicContact CG1-CE2 4.19Å; T247-F252 HydrophobicContact CG2-CE2 4.23Å; F249-F252 HydrophobicContact CB-CE1 4.46Å; F249-F252 HydrophobicContact CB-CE2 4.13Å; F249-F252 HydrophobicContact CB-CZ 3.69Å; F249-F252 HydrophobicContact CD2-CE2 4.24Å; F249-F252 AromaticContact CD2-CZ 3.69Å; F249-F252 HydrophobicContact CD2-CZ 3.69Å; F249-F252 AromaticContact CG-CZ 3.91Å; F249-F252 HydrophobicContact CG-CZ 3.91Å; L250-F252 PolarHBondContact O-N 2.9Å; F252-A265 HydrophobicContact CB-CB 3.91Å; F252-A265 HydrophobicContact CD1-CB 3.72Å; F252-A265 HydrophobicContact CD2-CB 4.08Å; F252-A265 HydrophobicContact CE1-CB 4.26Å; F252-A265 HydrophobicContact CG-CB 3.61Å; F252-G266 CarbonylContact C-O 3.59Å; F252-M273 HydrophobicContact CE1-CB 4.03Å; F252-M273 HydrophobicContact CE1-CG 3.65Å; F252-M273 HydrophobicContact CZ-CB 4.17Å; F252-M273 HydrophobicContact CZ-CG 3.91Å; F252-F275 HydrophobicContact CE2-CE2 4.17Å; F252-F275 AromaticContact CE2-CZ 3.88Å; F252-F275 HydrophobicContact CE2-CZ 3.88Å; F252-F275 AromaticContact CZ-CE2 3.99Å; F252-F275 HydrophobicContact CZ-CE2 3.99Å; F252-F275 AromaticContact CZ-CZ 3.79Å; F252-F275 HydrophobicContact CZ-CZ 3.79Å |
| 253 | V | 98.5 | Very high | 98 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 18% | 0.182 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | -27.2 | 180 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | L209 S210 G266 Y268 | L209-V253 HydrophobicContact CD1-CG2 4.48Å; S210-V253 WeakPolarHBondContact CB-O 3.48Å; V253-G266 PolarHBondContact N-O 2.83Å; V253-Y268 HydrophobicContact CG2-CD2 4.15Å; V253-Y268 HydrophobicContact CG2-CE2 3.78Å |
| 254 | S | 98.8 | Very high | 98.1 | Very high | 9 Ų | 9 | 37.8 Ų | 37.8 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 139.7 | 179.4 | -173.7 | 0 | 0 | 0 | 0 | 110.3 | A265 G266 I333 | S254-A265 CarbonylContact O-C 3.55Å; S254-A265 WeakPolarHBondContact O-CA 3.4Å; S254-G266 PolarHBondContact N-O 2.7Å; S254-G266 PolarHBondContact O-N 2.89Å; S254-I333 PolarHBondContact OG-N 2.97Å |
| 255 | C | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 32.2 Ų | 32.2 | 3% | 0.034 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 144.5 | 169.2 | 68 | 0 | 0 | 0 | 0 | 111.4 | S210 S212 T223 V264 A265 | S210-C255 VanDerWaalsContact CB-SG 3.6Å; S210-C255 PolarHBondContact OG-N 3.31Å; S210-C255 PolarHBondContact OG-O 2.57Å; S210-C255 PolarHBondContact OG-SG 3.35Å; S212-C255 WeakPolarHBondContact CB-O 3.5Å; T223-C255 HydrophobicContact CG2-CB 3.73Å; C255-V264 CarbonylContact C-O 3.49Å; C255-V264 WeakPolarHBondContact CA-O 3.33Å; C255-A265 HydrophobicContact CB-CB 3.99Å |
| 256 | I | 98.8 | Very high | 98.1 | Very high | 20 Ų | 20 | 30.1 Ų | 30.1 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 134.4 | -178.7 | -169.7 | 162.6 | 0 | 0 | 0 | 111.2 | I258 F263 V264 I333 I335 | I256-I258 HydrophobicContact CG2-CG2 4.11Å; I256-F263 WeakPolarHBondContact O-CA 3.2Å; I256-F263 WeakPolarHBondContact O-CB 3.03Å; I256-V264 PolarHBondContact N-O 3.04Å; I256-V264 PolarHBondContact O-N 2.88Å; I256-I333 HydrophobicContact CG2-CB 4.41Å; I256-I333 HydrophobicContact CG2-CG2 3.86Å; I256-I335 HydrophobicContact CD1-CD1 3.98Å; I256-I335 HydrophobicContact CD1-CG1 3.88Å; I256-I335 HydrophobicContact CG1-CD1 4.26Å; I256-I335 HydrophobicContact CG1-CG1 4.43Å |
| 257 | W | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 139 | 168.2 | -73.6 | 93.3 | 0 | 0 | 0 | 111 | S212 F213 S214 K219 A221 V231 F263 Y277 R340 | S212-W257 PolarHBondContact O-NE1 3.3Å; S212-W257 PolarHBondContact OG-N 2.88Å; S212-W257 VanDerWaalsContact OG-N 3.16Å; F213-W257 VanDerWaalsContact O-CD1 3.31Å; S214-W257 VanDerWaalsContact N-CD1 3.32Å; K219-W257 HydrophobicContact CB-CH2 4.35Å; K219-W257 HydrophobicContact CB-CZ2 3.87Å; K219-W257 HydrophobicContact CD-CH2 4.08Å; K219-W257 HydrophobicContact CD-CZ2 4.45Å; A221-W257 HydrophobicContact CB-CZ2 4.04Å; V231-W257 HydrophobicContact CG1-CH2 4.39Å; V231-W257 HydrophobicContact CG1-CZ2 4.03Å; V231-W257 HydrophobicContact CG2-CZ2 4.25Å; W257-F263 HydrophobicContact CD2-CB 3.93Å; W257-F263 HydrophobicContact CE3-CB 3.97Å; W257-F263 HydrophobicContact CE3-CD1 4.25Å; W257-F263 HydrophobicContact CG-CB 4.19Å; W257-F263 AromaticContact CH2-CD1 3.99Å; W257-F263 HydrophobicContact CH2-CD1 3.99Å; W257-F263 HydrophobicContact CZ2-CD1 4.25Å; W257-F263 AromaticContact CZ3-CD1 3.99Å; W257-F263 HydrophobicContact CZ3-CD1 3.99Å; W257-Y277 HydrophobicContact CH2-CD1 4.32Å; W257-Y277 HydrophobicContact CH2-CG 4.43Å; W257-R340 HydrophobicContact CB-CB 4.28Å |
| 258 | I | 98.2 | Very high | 98.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -132.6 | -3.5 | -177.2 | 61.7 | 164.3 | 0 | 0 | 0 | 113 | I256 T262 V264 L274 I335 R340 A343 L346 F360 I372 | I256-I258 HydrophobicContact CG2-CG2 4.11Å; I258-T262 HydrophobicContact CD1-CG2 3.95Å; I258-T262 HydrophobicContact CG1-CG2 3.87Å; I258-T262 WeakPolarHBondContact CG1-O 3.35Å; I258-T262 PolarHBondContact N-O 2.9Å; I258-V264 HydrophobicContact CD1-CG2 3.52Å; I258-V264 HydrophobicContact CG1-CG2 4.33Å; I258-L274 HydrophobicContact CD1-CD1 4.12Å; I258-I335 HydrophobicContact CG2-CG1 4.37Å; I258-R340 CarbonylContact C-O 3.57Å; I258-A343 HydrophobicContact CB-CB 3.74Å; I258-A343 HydrophobicContact CG2-CB 4.04Å; I258-A343 PolarHBondContact O-N 2.87Å; I258-L346 HydrophobicContact CG2-CD1 4.16Å; I258-L346 HydrophobicContact CG2-CD2 3.77Å; I258-F360 HydrophobicContact CD1-CE1 4.1Å; I258-F360 HydrophobicContact CD1-CE2 3.85Å; I258-F360 HydrophobicContact CD1-CZ 3.35Å; I258-I372 HydrophobicContact CB-CD1 4.49Å; I258-I372 HydrophobicContact CD1-CD1 3.84Å; I258-I372 HydrophobicContact CD1-CG1 3.78Å; I258-I372 HydrophobicContact CG1-CD1 4.32Å; I258-I372 HydrophobicContact CG1-CG1 4.26Å; I258-I372 VanDerWaalsContact O-CG2 3.24Å; I258-I372 WeakPolarHBondContact O-CG2 3.14Å | ||
| 259 | G | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -161.7 | -179.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S261 T262 R340 | G259-S261 VanDerWaalsContact C-N 3.29Å; G259-S261 PolarHBondContact O-N 3.48Å; G259-T262 PolarHBondContact N-O 3.16Å; G259-T262 PolarHBondContact O-N 2.94Å; G259-R340 CarbonylContact C-O 3.48Å; G259-R340 VanDerWaalsContact CA-O 3.23Å; G259-R340 WeakPolarHBondContact CA-O 3.47Å; G259-R340 PolarHBondContact N-O 3.04Å |
| 260 | P | 97.2 | Very high | 98.1 | Very high | 72 Ų | 72 | 18.6 Ų | 18.6 | 47% | 0.468 | 10% | 0.102 | S | C | . | . | S | Bend | trans | -58.6 | -36.5 | -177.2 | -25.3 | 34.4 | 0 | 0 | 0 | 114.3 | S341 V373 | P260-S341 WeakPolarHBondContact CD-O 3.31Å; P260-V373 WeakPolarHBondContact CD-O 3.42Å; P260-V373 WeakPolarHBondContact CD-OXT 3.46Å |
| 261 | S | 97.5 | Very high | 98 | Very high | 9 Ų | 9 | 14.3 Ų | 14.3 | 6% | 0.063 | 8% | 0.079 | C | C | . | . | S | Bend | trans | -122.6 | 2.7 | 179.7 | 70.5 | 0 | 0 | 0 | 0 | 113.2 | G259 R276 Y277 N278 V373 | G259-S261 VanDerWaalsContact C-N 3.29Å; G259-S261 PolarHBondContact O-N 3.48Å; S261-R276 CarbonylContact O-C 3.52Å; S261-R276 VanDerWaalsContact O-CA 3.29Å; S261-R276 WeakPolarHBondContact O-CA 3.49Å; S261-Y277 WeakPolarHBondContact CB-O 3.47Å; S261-Y277 PolarHBondContact O-N 2.83Å; S261-N278 WeakPolarHBondContact CB-OD1 3.36Å; S261-V373 PolarHBondContact N-O 3.16Å; S261-V373 VanDerWaalsContact OG-C 3.25Å; S261-V373 WeakPolarHBondContact OG-CG2 3.34Å; S261-V373 PolarHBondContact OG-O 3.29Å |
| 262 | T | 98.1 | Very high | 97.9 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 129.6 | -166.9 | -52.7 | 0 | 0 | 0 | 0 | 111 | I258 G259 L274 I372 V373 | I258-T262 HydrophobicContact CD1-CG2 3.95Å; I258-T262 HydrophobicContact CG1-CG2 3.87Å; I258-T262 WeakPolarHBondContact CG1-O 3.35Å; I258-T262 PolarHBondContact N-O 2.9Å; G259-T262 PolarHBondContact N-O 3.16Å; G259-T262 PolarHBondContact O-N 2.94Å; T262-L274 HydrophobicContact CG2-CD1 3.82Å; T262-L274 HydrophobicContact CG2-CD2 3.72Å; T262-L274 HydrophobicContact CG2-CG 3.82Å; T262-I372 HydrophobicContact CG2-CG1 4.31Å; T262-V373 PolarHBondContact N-O 3.15Å; T262-V373 PolarHBondContact OG1-N 3.48Å; T262-V373 PolarHBondContact OG1-O 3.3Å |
| 263 | F | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 0% | 0.004 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 157.6 | 176.1 | 66 | -86.8 | 0 | 0 | 0 | 111.1 | A221 I229 V231 I256 W257 F275 I282 | A221-F263 HydrophobicContact CB-CD2 4.46Å; I229-F263 HydrophobicContact CG2-CE2 3.67Å; I229-F263 HydrophobicContact CG2-CZ 3.76Å; V231-F263 HydrophobicContact CG2-CE1 3.92Å; V231-F263 HydrophobicContact CG2-CZ 4.12Å; I256-F263 WeakPolarHBondContact O-CA 3.2Å; I256-F263 WeakPolarHBondContact O-CB 3.03Å; W257-F263 HydrophobicContact CD2-CB 3.93Å; W257-F263 HydrophobicContact CE3-CB 3.97Å; W257-F263 HydrophobicContact CE3-CD1 4.25Å; W257-F263 HydrophobicContact CG-CB 4.19Å; W257-F263 AromaticContact CH2-CD1 3.99Å; W257-F263 HydrophobicContact CH2-CD1 3.99Å; W257-F263 HydrophobicContact CZ2-CD1 4.25Å; W257-F263 AromaticContact CZ3-CD1 3.99Å; W257-F263 HydrophobicContact CZ3-CD1 3.99Å; F263-F275 HydrophobicContact CD1-CB 4.25Å; F263-F275 HydrophobicContact CD2-CB 4.05Å; F263-F275 HydrophobicContact CD2-CD2 4.46Å; F263-F275 HydrophobicContact CE1-CB 3.77Å; F263-F275 HydrophobicContact CE2-CB 3.55Å; F263-F275 HydrophobicContact CE2-CD2 4Å; F263-F275 AromaticContact CE2-CG 3.95Å; F263-F275 HydrophobicContact CE2-CG 3.95Å; F263-F275 HydrophobicContact CG-CB 4.38Å; F263-F275 HydrophobicContact CZ-CB 3.41Å; F263-F275 VanDerWaalsContact CZ-CB 3.41Å; F263-F275 HydrophobicContact CZ-CG 4.09Å; F263-F275 PolarHBondContact N-O 2.88Å; F263-F275 PolarHBondContact O-N 3.19Å; F263-F275 VanDerWaalsContact O-O 3.14Å; F263-I282 HydrophobicContact CE1-CG2 4.22Å; F263-I282 HydrophobicContact CZ-CG2 3.72Å |
| 264 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 143.1 | 178.9 | 169.3 | 0 | 0 | 0 | 0 | 109.2 | C255 I256 I258 P272 M273 L274 L288 I333 L346 | C255-V264 CarbonylContact C-O 3.49Å; C255-V264 WeakPolarHBondContact CA-O 3.33Å; I256-V264 PolarHBondContact N-O 3.04Å; I256-V264 PolarHBondContact O-N 2.88Å; I258-V264 HydrophobicContact CD1-CG2 3.52Å; I258-V264 HydrophobicContact CG1-CG2 4.33Å; V264-P272 HydrophobicContact CG1-CB 3.62Å; V264-M273 CarbonylContact C-O 3.5Å; V264-M273 VanDerWaalsContact CA-O 3.28Å; V264-M273 WeakPolarHBondContact CA-O 3.17Å; V264-L274 HydrophobicContact CG2-CB 4.34Å; V264-L274 HydrophobicContact CG2-CD1 4.43Å; V264-L274 HydrophobicContact CG2-CG 4.35Å; V264-L288 HydrophobicContact CG1-CD1 4.3Å; V264-L288 HydrophobicContact CG2-CD1 4.27Å; V264-I333 HydrophobicContact CG1-CD1 3.9Å; V264-L346 HydrophobicContact CB-CD1 4.32Å; V264-L346 HydrophobicContact CG1-CD1 4.39Å; V264-L346 HydrophobicContact CG2-CD1 4.12Å |
| 265 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 144.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T223 F252 S254 C255 P272 M273 F275 | T223-A265 HydrophobicContact CG2-CB 4.25Å; F252-A265 HydrophobicContact CB-CB 3.91Å; F252-A265 HydrophobicContact CD1-CB 3.72Å; F252-A265 HydrophobicContact CD2-CB 4.08Å; F252-A265 HydrophobicContact CE1-CB 4.26Å; F252-A265 HydrophobicContact CG-CB 3.61Å; S254-A265 CarbonylContact O-C 3.55Å; S254-A265 WeakPolarHBondContact O-CA 3.4Å; C255-A265 HydrophobicContact CB-CB 3.99Å; A265-P272 CarbonylContact O-C 3.54Å; A265-P272 WeakPolarHBondContact O-CA 3.07Å; A265-M273 PolarHBondContact N-O 3.13Å; A265-M273 PolarHBondContact O-N 3.1Å; A265-F275 HydrophobicContact CB-CD2 4.29Å; A265-F275 HydrophobicContact CB-CE2 3.98Å |
| 266 | G | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 155.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F252 V253 S254 | F252-G266 CarbonylContact C-O 3.59Å; V253-G266 PolarHBondContact N-O 2.83Å; S254-G266 PolarHBondContact N-O 2.7Å; S254-G266 PolarHBondContact O-N 2.89Å |
| 267 | G | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 13.4 Ų | 13.4 | 1% | 0.01 | 7% | 0.067 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.8 | -126.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D269 C270 C329 I330 | G267-D269 VanDerWaalsContact C-N 3.33Å; G267-D269 PolarHBondContact O-N 2.65Å; G267-C270 PolarHBondContact O-N 3.31Å; G267-C329 VanDerWaalsContact C-SG 3.55Å; G267-C329 WeakPolarHBondContact O-CA 3.34Å; G267-I330 PolarHBondContact O-N 3.28Å |
| 268 | Y | 97.6 | Very high | 97.5 | Very high | 79 Ų | 79 | 17 Ų | 17 | 31% | 0.31 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -20 | -169 | -72.2 | -76.9 | 0 | 0 | 0 | 114.9 | P251 V253 C270 C329 R351 | P251-Y268 HydrophobicContact CB-CD2 3.93Å; P251-Y268 HydrophobicContact CB-CE2 4.33Å; P251-Y268 HydrophobicContact CG-CD2 4.24Å; P251-Y268 VanDerWaalsContact O-CD2 3.28Å; P251-Y268 WeakPolarHBondContact O-CD2 3.27Å; P251-Y268 PolarHBondContact O-N 2.69Å; P251-Y268 VanDerWaalsContact O-N 3.09Å; V253-Y268 HydrophobicContact CG2-CD2 4.15Å; V253-Y268 HydrophobicContact CG2-CE2 3.78Å; Y268-C270 PolarHBondContact O-N 3.12Å; Y268-C270 PolarHBondContact O-SG 3.22Å; Y268-C270 VanDerWaalsContact O-SG 3.32Å; Y268-C329 HydrophobicContact CD1-CB 3.97Å; Y268-C329 HydrophobicContact CE1-CB 4.22Å; Y268-R351 PolarHBondContact OH-NH2 3.49Å |
| 269 | D | 96.2 | Very high | 97.3 | Very high | 47 Ų | 47 | 24.6 Ų | 24.6 | 25% | 0.251 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 0 | 169.9 | -68.2 | -79.3 | 0 | 0 | 0 | 113.9 | F249 L250 G267 C271 M273 | F249-D269 WeakPolarHBondContact CB-OD2 3.29Å; L250-D269 WeakPolarHBondContact CA-OD2 3.45Å; L250-D269 VanDerWaalsContact CB-OD2 3.28Å; L250-D269 WeakPolarHBondContact CB-OD2 3.12Å; L250-D269 PolarHBondContact N-OD2 3.14Å; G267-D269 VanDerWaalsContact C-N 3.33Å; G267-D269 PolarHBondContact O-N 2.65Å; D269-C271 PolarHBondContact O-N 2.99Å; D269-M273 HydrophobicContact CB-CE 4.19Å |
| 270 | C | 96.3 | Very high | 97.1 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 5% | 0.047 | 15% | 0.149 | C | C | . | . | S | Bend | trans | 59.7 | 19.5 | 175.5 | -48.5 | 0 | 0 | 0 | 0 | 113.8 | G267 Y268 L322 T324 H326 N328 | G267-C270 PolarHBondContact O-N 3.31Å; Y268-C270 PolarHBondContact O-N 3.12Å; Y268-C270 PolarHBondContact O-SG 3.22Å; Y268-C270 VanDerWaalsContact O-SG 3.32Å; C270-L322 HydrophobicContact CB-CD1 3.83Å; C270-L322 WeakPolarHBondContact SG-CD1 3.22Å; C270-T324 WeakPolarHBondContact O-CB 3.25Å; C270-H326 HydrophobicContact CB-CB 4.17Å; C270-H326 WeakPolarHBondContact O-CB 3.43Å; C270-N328 VanDerWaalsContact SG-CA 3.58Å; C270-N328 PolarHBondContact SG-O 2.83Å; C270-N328 VanDerWaalsContact SG-O 3.32Å |
| 271 | C | 95.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -142.7 | 135.9 | 177.6 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | D269 M273 D289 T324 | D269-C271 PolarHBondContact O-N 2.99Å; C271-M273 HydrophobicContact CB-CE 4.14Å; C271-D289 VanDerWaalsContact SG-CB 3.53Å; C271-T324 HydrophobicContact CB-CG2 3.78Å |
| 272 | P | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -69 | 140.3 | 169 | -12.5 | 27.4 | 0 | 0 | 0 | 110.9 | V264 A265 L288 I330 I333 W358 | V264-P272 HydrophobicContact CG1-CB 3.62Å; A265-P272 CarbonylContact O-C 3.54Å; A265-P272 WeakPolarHBondContact O-CA 3.07Å; P272-L288 HydrophobicContact CB-CB 4.22Å; P272-L288 HydrophobicContact CB-CD1 3.78Å; P272-L288 HydrophobicContact CB-CG 3.94Å; P272-L288 HydrophobicContact CG-CB 4.45Å; P272-L288 HydrophobicContact CG-CD1 4.3Å; P272-L288 PolarHBondContact O-N 3.33Å; P272-I330 HydrophobicContact CG-CD1 3.87Å; P272-I333 HydrophobicContact CB-CD1 4.05Å; P272-I333 HydrophobicContact CG-CD1 4.39Å; P272-W358 VanDerWaalsContact CD-CZ2 3.45Å; P272-W358 HydrophobicContact CG-CD2 4.28Å; P272-W358 HydrophobicContact CG-CH2 3.97Å; P272-W358 HydrophobicContact CG-CZ2 3.48Å; P272-W358 VanDerWaalsContact CG-CZ2 3.48Å | ||
| 273 | M | 96.6 | Very high | 97.2 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 130.1 | -179.5 | -59.6 | -57.9 | -179.4 | 0 | 0 | 108.9 | F249 F252 V264 A265 D269 C271 F275 F284 Q287 | F249-M273 HydrophobicContact CD1-CE 3.95Å; F249-M273 HydrophobicContact CE1-CE 3.81Å; F249-M273 HydrophobicContact CE1-SD 4.29Å; F249-M273 HydrophobicContact CZ-CE 4.39Å; F249-M273 HydrophobicContact CZ-SD 4.29Å; F252-M273 HydrophobicContact CE1-CB 4.03Å; F252-M273 HydrophobicContact CE1-CG 3.65Å; F252-M273 HydrophobicContact CZ-CB 4.17Å; F252-M273 HydrophobicContact CZ-CG 3.91Å; V264-M273 CarbonylContact C-O 3.5Å; V264-M273 VanDerWaalsContact CA-O 3.28Å; V264-M273 WeakPolarHBondContact CA-O 3.17Å; A265-M273 PolarHBondContact N-O 3.13Å; A265-M273 PolarHBondContact O-N 3.1Å; D269-M273 HydrophobicContact CB-CE 4.19Å; C271-M273 HydrophobicContact CB-CE 4.14Å; M273-F275 HydrophobicContact CB-CD2 4.34Å; M273-F275 HydrophobicContact CB-CE2 3.52Å; M273-F275 HydrophobicContact CB-CZ 3.97Å; M273-F275 WeakPolarHBondContact O-CD2 3.49Å; M273-F284 HydrophobicContact CB-CD2 4.39Å; M273-F284 HydrophobicContact CB-CE2 4.01Å; M273-F284 HydrophobicContact CG-CE2 4.33Å; M273-F284 HydrophobicContact SD-CE2 3.83Å; M273-F284 HydrophobicContact SD-CZ 4.33Å; M273-Q287 HydrophobicContact CE-CB 4.25Å; M273-Q287 HydrophobicContact SD-CB 3.43Å; M273-Q287 WeakPolarHBondContact SD-CB 3.39Å |
| 274 | L | 97.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 130.8 | 177.1 | -169.1 | 147 | 0 | 0 | 0 | 110 | I258 T262 V264 V285 H286 L288 F360 L370 | I258-L274 HydrophobicContact CD1-CD1 4.12Å; T262-L274 HydrophobicContact CG2-CD1 3.82Å; T262-L274 HydrophobicContact CG2-CD2 3.72Å; T262-L274 HydrophobicContact CG2-CG 3.82Å; V264-L274 HydrophobicContact CG2-CB 4.34Å; V264-L274 HydrophobicContact CG2-CD1 4.43Å; V264-L274 HydrophobicContact CG2-CG 4.35Å; L274-V285 HydrophobicContact CD2-CB 3.43Å; L274-V285 VanDerWaalsContact CD2-CB 3.43Å; L274-V285 HydrophobicContact CD2-CG1 3.82Å; L274-V285 HydrophobicContact CD2-CG2 3.55Å; L274-V285 PolarHBondContact O-N 3.04Å; L274-H286 WeakPolarHBondContact CB-O 3.33Å; L274-H286 PolarHBondContact N-O 3.36Å; L274-L288 HydrophobicContact CB-CD2 4.15Å; L274-L288 HydrophobicContact CD1-CD2 4.32Å; L274-F360 HydrophobicContact CD1-CE1 4.31Å; L274-L370 HydrophobicContact CB-CD1 4.32Å; L274-L370 HydrophobicContact CD1-CD1 3.67Å; L274-L370 HydrophobicContact CD1-CG 4.33Å |
| 275 | F | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 154.9 | 177.7 | -64.6 | -88.8 | 0 | 0 | 0 | 110.5 | I229 L245 T247 F249 F252 F263 A265 M273 I282 T283 F284 | I229-F275 HydrophobicContact CD1-CD1 3.98Å; I229-F275 HydrophobicContact CD1-CD2 3.83Å; I229-F275 HydrophobicContact CD1-CE1 3.6Å; I229-F275 HydrophobicContact CD1-CE2 3.42Å; I229-F275 VanDerWaalsContact CD1-CE2 3.42Å; I229-F275 HydrophobicContact CD1-CG 4.1Å; I229-F275 HydrophobicContact CD1-CZ 3.31Å; L245-F275 HydrophobicContact CD2-CD1 4.01Å; L245-F275 HydrophobicContact CD2-CE1 3.89Å; T247-F275 HydrophobicContact CG2-CE1 4.21Å; T247-F275 HydrophobicContact CG2-CZ 4.35Å; F249-F275 HydrophobicContact CD2-CZ 4.33Å; F249-F275 HydrophobicContact CE2-CZ 4.3Å; F252-F275 HydrophobicContact CE2-CE2 4.17Å; F252-F275 AromaticContact CE2-CZ 3.88Å; F252-F275 HydrophobicContact CE2-CZ 3.88Å; F252-F275 AromaticContact CZ-CE2 3.99Å; F252-F275 HydrophobicContact CZ-CE2 3.99Å; F252-F275 AromaticContact CZ-CZ 3.79Å; F252-F275 HydrophobicContact CZ-CZ 3.79Å; F263-F275 HydrophobicContact CD1-CB 4.25Å; F263-F275 HydrophobicContact CD2-CB 4.05Å; F263-F275 HydrophobicContact CD2-CD2 4.46Å; F263-F275 HydrophobicContact CE1-CB 3.77Å; F263-F275 HydrophobicContact CE2-CB 3.55Å; F263-F275 HydrophobicContact CE2-CD2 4Å; F263-F275 AromaticContact CE2-CG 3.95Å; F263-F275 HydrophobicContact CE2-CG 3.95Å; F263-F275 HydrophobicContact CG-CB 4.38Å; F263-F275 HydrophobicContact CZ-CB 3.41Å; F263-F275 VanDerWaalsContact CZ-CB 3.41Å; F263-F275 HydrophobicContact CZ-CG 4.09Å; F263-F275 PolarHBondContact N-O 2.88Å; F263-F275 PolarHBondContact O-N 3.19Å; F263-F275 VanDerWaalsContact O-O 3.14Å; A265-F275 HydrophobicContact CB-CD2 4.29Å; A265-F275 HydrophobicContact CB-CE2 3.98Å; M273-F275 HydrophobicContact CB-CD2 4.34Å; M273-F275 HydrophobicContact CB-CE2 3.52Å; M273-F275 HydrophobicContact CB-CZ 3.97Å; M273-F275 WeakPolarHBondContact O-CD2 3.49Å; F275-I282 HydrophobicContact CB-CG2 4.39Å; F275-I282 HydrophobicContact CD1-CG2 4.27Å; F275-T283 CarbonylContact C-O 3.59Å; F275-T283 VanDerWaalsContact CA-O 3.23Å; F275-T283 WeakPolarHBondContact CA-O 3.29Å; F275-F284 HydrophobicContact CD1-CB 4.09Å; F275-F284 HydrophobicContact CD1-CD2 4.46Å; F275-F284 HydrophobicContact CE1-CB 3.85Å; F275-F284 AromaticContact CE1-CD2 3.99Å; F275-F284 HydrophobicContact CE1-CD2 3.99Å; F275-F284 HydrophobicContact CE1-CG 4.42Å; F275-F284 HydrophobicContact CZ-CD2 4.13Å |
| 276 | R | 97.7 | Very high | 96.6 | Very high | 53 Ų | 53 | 40.3 Ų | 40.3 | 20% | 0.2 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 134.1 | 175 | -171.7 | 170.7 | -66.8 | 147.7 | -0.9 | 110.3 | S261 N278 I282 T283 V285 K371 | S261-R276 CarbonylContact O-C 3.52Å; S261-R276 VanDerWaalsContact O-CA 3.29Å; S261-R276 WeakPolarHBondContact O-CA 3.49Å; R276-N278 WeakPolarHBondContact CD-ND2 3.31Å; R276-I282 CarbonylContact O-C 3.53Å; R276-I282 WeakPolarHBondContact O-CA 3.23Å; R276-T283 PolarHBondContact N-O 2.65Å; R276-T283 PolarHBondContact O-N 3.11Å; R276-T283 PolarHBondContact O-OG1 3.44Å; R276-V285 HydrophobicContact CB-CG2 3.77Å; R276-K371 PolarHBondContact NH2-O 2.89Å |
| 277 | Y | 98.1 | Very high | 96.3 | Very high | 7 Ų | 7 | 42.5 Ų | 42.5 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 108.8 | 172.3 | 173.6 | -99.3 | 0 | 0 | 0 | 110 | K219 V231 D233 T243 W257 S261 S281 I282 | K219-Y277 HydrophobicContact CD-CD1 3.73Å; K219-Y277 HydrophobicContact CD-CE1 3.74Å; V231-Y277 HydrophobicContact CB-CD2 3.74Å; V231-Y277 HydrophobicContact CB-CE2 4Å; V231-Y277 HydrophobicContact CB-CG 4.13Å; V231-Y277 HydrophobicContact CG1-CD1 3.88Å; V231-Y277 HydrophobicContact CG1-CD2 3.73Å; V231-Y277 HydrophobicContact CG1-CE1 4Å; V231-Y277 HydrophobicContact CG1-CE2 3.84Å; V231-Y277 HydrophobicContact CG1-CG 3.73Å; V231-Y277 HydrophobicContact CG2-CD2 4.08Å; V231-Y277 HydrophobicContact CG2-CG 4.21Å; D233-Y277 HydrophobicContact CB-CE1 4.15Å; D233-Y277 VanDerWaalsContact CB-OH 3.26Å; D233-Y277 WeakPolarHBondContact CB-OH 3.05Å; D233-Y277 WeakPolarHBondContact OD2-CE1 2.78Å; D233-Y277 PolarHBondContact OD2-OH 2.85Å; T243-Y277 HydrophobicContact CG2-CE2 4.4Å; W257-Y277 HydrophobicContact CH2-CD1 4.32Å; W257-Y277 HydrophobicContact CH2-CG 4.43Å; S261-Y277 WeakPolarHBondContact CB-O 3.47Å; S261-Y277 PolarHBondContact O-N 2.83Å; Y277-S281 VanDerWaalsContact CA-O 3.29Å; Y277-S281 WeakPolarHBondContact CA-O 3.3Å; Y277-I282 HydrophobicContact CD2-CG1 3.88Å |
| 278 | N | 95.5 | Very high | 96 | Very high | 75 Ų | 75 | 42.5 Ų | 42.5 | 40% | 0.401 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 150.2 | 175.2 | -77.7 | -21.6 | 0 | 0 | 0 | 108.7 | S261 R276 Q280 S281 | S261-N278 WeakPolarHBondContact CB-OD1 3.36Å; R276-N278 WeakPolarHBondContact CD-ND2 3.31Å; N278-Q280 PolarHBondContact O-N 3.48Å; N278-Q280 VanDerWaalsContact O-N 3.13Å; N278-S281 PolarHBondContact N-O 3.15Å; N278-S281 VanDerWaalsContact N-O 3.08Å; N278-S281 WeakPolarHBondContact O-CA 3.14Å; N278-S281 WeakPolarHBondContact O-CB 3.35Å; N278-S281 PolarHBondContact O-N 2.96Å; N278-S281 VanDerWaalsContact O-O 3.08Å |
| 279 | D | 93 | Very high | 95.6 | Very high | 159 Ų | 159 | 38.9 Ų | 38.9 | 85% | 0.85 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 41 | 174.5 | -55.6 | -39.3 | 0 | 0 | 0 | 114 | S281 | D279-S281 PolarHBondContact O-N 2.77Š|
| 280 | Q | 95 | Very high | 94.4 | Very high | 100 Ų | 100 | 38.5 Ų | 38.5 | 47% | 0.467 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 31 | -177.7 | -56.2 | 167.6 | 50.1 | 0 | 0 | 113.1 | I236 T241 T243 N278 | I236-Q280 HydrophobicContact CD1-CG 3.5Å; I236-Q280 VanDerWaalsContact CD1-CG 3.5Å; T241-Q280 HydrophobicContact CG2-CG 4.31Å; T243-Q280 WeakPolarHBondContact CG2-O 3.44Å; T243-Q280 PolarHBondContact OG1-O 2.88Å; T243-Q280 VanDerWaalsContact OG1-O 3.1Å; N278-Q280 PolarHBondContact O-N 3.48Å; N278-Q280 VanDerWaalsContact O-N 3.13Å |
| 281 | S | 97.8 | Very high | 92.7 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 39% | 0.385 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 139.3 | 177.5 | -176 | 0 | 0 | 0 | 0 | 110.3 | Y277 N278 D279 | Y277-S281 VanDerWaalsContact CA-O 3.29Å; Y277-S281 WeakPolarHBondContact CA-O 3.3Å; N278-S281 PolarHBondContact N-O 3.15Å; N278-S281 VanDerWaalsContact N-O 3.08Å; N278-S281 WeakPolarHBondContact O-CA 3.14Å; N278-S281 WeakPolarHBondContact O-CB 3.35Å; N278-S281 PolarHBondContact O-N 2.96Å; N278-S281 VanDerWaalsContact O-O 3.08Å; D279-S281 PolarHBondContact O-N 2.77Å |
| 282 | I | 98.5 | Very high | 90.7 | Very high | 8 Ų | 8 | 47.8 Ų | 47.8 | 4% | 0.041 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 125.3 | 172.8 | -55.9 | 162.2 | 0 | 0 | 0 | 107.2 | I229 V231 T243 L245 F263 F275 R276 Y277 | I229-I282 HydrophobicContact CG2-CD1 4.38Å; V231-I282 HydrophobicContact CB-CD1 4.05Å; V231-I282 HydrophobicContact CB-CG1 4.25Å; V231-I282 HydrophobicContact CG2-CD1 3.75Å; V231-I282 HydrophobicContact CG2-CG1 3.87Å; T243-I282 HydrophobicContact CG2-CD1 4.02Å; T243-I282 HydrophobicContact CG2-CG1 3.84Å; L245-I282 HydrophobicContact CB-CB 3.91Å; L245-I282 HydrophobicContact CB-CD1 4.3Å; L245-I282 HydrophobicContact CB-CG2 4.08Å; L245-I282 HydrophobicContact CD2-CB 4.24Å; L245-I282 HydrophobicContact CD2-CG2 3.74Å; F263-I282 HydrophobicContact CE1-CG2 4.22Å; F263-I282 HydrophobicContact CZ-CG2 3.72Å; F275-I282 HydrophobicContact CB-CG2 4.39Å; F275-I282 HydrophobicContact CD1-CG2 4.27Å; R276-I282 CarbonylContact O-C 3.53Å; R276-I282 WeakPolarHBondContact O-CA 3.23Å; Y277-I282 HydrophobicContact CD2-CG1 3.88Å |
| 283 | T | 97.5 | Very high | 88.3 | Confident | 65 Ų | 65 | 57.5 Ų | 57.5 | 40% | 0.399 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 138.4 | -179.8 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | F275 R276 | F275-T283 CarbonylContact C-O 3.59Å; F275-T283 VanDerWaalsContact CA-O 3.23Å; F275-T283 WeakPolarHBondContact CA-O 3.29Å; R276-T283 PolarHBondContact N-O 2.65Å; R276-T283 PolarHBondContact O-N 3.11Å; R276-T283 PolarHBondContact O-OG1 3.44Å |
| 284 | F | 96.8 | Very high | 85.8 | Confident | 91 Ų | 91 | 62 Ų | 62 | 40% | 0.399 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 135.4 | 166.4 | 171.3 | -106 | 0 | 0 | 0 | 109.1 | F249 M273 F275 H286 | F249-F284 AromaticContact CE2-CD2 3.74Å; F249-F284 HydrophobicContact CE2-CD2 3.74Å; F249-F284 AromaticContact CE2-CE2 3.97Å; F249-F284 HydrophobicContact CE2-CE2 3.97Å; F249-F284 HydrophobicContact CE2-CG 4.12Å; F249-F284 HydrophobicContact CZ-CD1 4.45Å; F249-F284 AromaticContact CZ-CD2 3.95Å; F249-F284 HydrophobicContact CZ-CD2 3.95Å; F249-F284 HydrophobicContact CZ-CE1 4.27Å; F249-F284 AromaticContact CZ-CE2 3.75Å; F249-F284 HydrophobicContact CZ-CE2 3.75Å; F249-F284 HydrophobicContact CZ-CG 4.29Å; F249-F284 AromaticContact CZ-CZ 3.9Å; F249-F284 HydrophobicContact CZ-CZ 3.9Å; M273-F284 HydrophobicContact CB-CD2 4.39Å; M273-F284 HydrophobicContact CB-CE2 4.01Å; M273-F284 HydrophobicContact CG-CE2 4.33Å; M273-F284 HydrophobicContact SD-CE2 3.83Å; M273-F284 HydrophobicContact SD-CZ 4.33Å; F275-F284 HydrophobicContact CD1-CB 4.09Å; F275-F284 HydrophobicContact CD1-CD2 4.46Å; F275-F284 HydrophobicContact CE1-CB 3.85Å; F275-F284 AromaticContact CE1-CD2 3.99Å; F275-F284 HydrophobicContact CE1-CD2 3.99Å; F275-F284 HydrophobicContact CE1-CG 4.42Å; F275-F284 HydrophobicContact CZ-CD2 4.13Å; F284-H286 VanDerWaalsContact CZ-C 3.48Å |
| 285 | V | 94.5 | Very high | 83.7 | Confident | 30 Ų | 30 | 66.6 Ų | 66.6 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -62.5 | 179.3 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | L274 R276 D369 | L274-V285 HydrophobicContact CD2-CB 3.43Å; L274-V285 VanDerWaalsContact CD2-CB 3.43Å; L274-V285 HydrophobicContact CD2-CG1 3.82Å; L274-V285 HydrophobicContact CD2-CG2 3.55Å; L274-V285 PolarHBondContact O-N 3.04Å; R276-V285 HydrophobicContact CB-CG2 3.77Å; V285-D369 WeakPolarHBondContact CG1-O 3.22Å |
| 286 | H | 92.6 | Very high | 81.4 | Confident | 63 Ų | 63 | 71.2 Ų | 71.2 | 29% | 0.292 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 156.5 | -177.4 | -156 | -87.1 | 0 | 0 | 0 | 111.9 | L274 F284 I367 L370 | L274-H286 WeakPolarHBondContact CB-O 3.33Å; L274-H286 PolarHBondContact N-O 3.36Å; F284-H286 VanDerWaalsContact CZ-C 3.48Å; H286-I367 HydrophobicContact CB-CG2 4.22Å; H286-L370 HydrophobicContact CB-CD1 4.39Å |
| 287 | Q | 92.3 | Very high | 78.8 | Confident | 46 Ų | 46 | 72.5 Ų | 72.5 | 22% | 0.215 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 141.6 | 168.6 | 63.2 | 173.9 | 36.5 | 0 | 0 | 110.9 | M273 D289 | M273-Q287 HydrophobicContact CE-CB 4.25Å; M273-Q287 HydrophobicContact SD-CB 3.43Å; M273-Q287 WeakPolarHBondContact SD-CB 3.39Å; Q287-D289 VanDerWaalsContact C-N 3.29Å; Q287-D289 PolarHBondContact NE2-O 2.86Å; Q287-D289 PolarHBondContact O-N 3.17Å |
| 288 | L | 92.3 | Very high | 76.2 | Confident | 1 Ų | 1 | 74.8 Ų | 74.8 | 1% | 0.005 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -73.6 | -20.5 | -176.5 | -61.9 | -166.1 | 0 | 0 | 0 | 113.7 | V264 P272 L274 L346 W358 F360 L370 | V264-L288 HydrophobicContact CG1-CD1 4.3Å; V264-L288 HydrophobicContact CG2-CD1 4.27Å; P272-L288 HydrophobicContact CB-CB 4.22Å; P272-L288 HydrophobicContact CB-CD1 3.78Å; P272-L288 HydrophobicContact CB-CG 3.94Å; P272-L288 HydrophobicContact CG-CB 4.45Å; P272-L288 HydrophobicContact CG-CD1 4.3Å; P272-L288 PolarHBondContact O-N 3.33Å; L274-L288 HydrophobicContact CB-CD2 4.15Å; L274-L288 HydrophobicContact CD1-CD2 4.32Å; L288-L346 HydrophobicContact CD1-CD1 4.34Å; L288-W358 HydrophobicContact CB-CD2 4.39Å; L288-W358 HydrophobicContact CB-CE3 3.64Å; L288-W358 HydrophobicContact CB-CZ3 3.78Å; L288-W358 HydrophobicContact CD1-CD2 4.41Å; L288-W358 HydrophobicContact CD1-CE3 4.4Å; L288-W358 HydrophobicContact CD1-CG 4.47Å; L288-F360 HydrophobicContact CD1-CE1 4.32Å; L288-F360 HydrophobicContact CD1-CZ 4.3Å; L288-F360 HydrophobicContact CD2-CE1 4.05Å; L288-L370 HydrophobicContact CD2-CD1 3.53Å; L288-L370 HydrophobicContact CD2-CD2 4.29Å |
| 289 | D | 88.2 | Confident | 73.9 | Confident | 4 Ų | 4 | 81.4 Ų | 81.4 | 2% | 0.021 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -87.2 | 125.3 | 178.2 | -163.2 | 4.8 | 0 | 0 | 0 | 112.1 | C271 Q287 R295 T324 I325 W358 | C271-D289 VanDerWaalsContact SG-CB 3.53Å; Q287-D289 VanDerWaalsContact C-N 3.29Å; Q287-D289 PolarHBondContact NE2-O 2.86Å; Q287-D289 PolarHBondContact O-N 3.17Å; D289-R295 IonicContact OD1-CZ 3.73Å; D289-R295 IonicContact OD1-NH1 2.87Å; D289-R295 PolarHBondContact OD1-NH1 3.49Å; D289-R295 IonicContact OD1-NH2 3.4Å; D289-R295 PolarHBondContact OD1-NH2 3.22Å; D289-R295 IonicContact OD2-NH1 3.56Å; D289-T324 VanDerWaalsContact OD2-C 3.24Å; D289-T324 WeakPolarHBondContact OD2-CA 3.43Å; D289-I325 HydrophobicContact CB-CG1 4.29Å; D289-I325 WeakPolarHBondContact OD1-CG1 3.06Å; D289-I325 WeakPolarHBondContact OD2-CG1 3.24Å; D289-I325 PolarHBondContact OD2-N 2.68Å; D289-W358 HydrophobicContact CB-CH2 4.27Å; D289-W358 HydrophobicContact CB-CZ3 4.2Å |
| 290 | T | 71.3 | Confident | 72.3 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 23% | 0.233 | 42% | 0.416 | C | S | . | . | trans | -83.3 | 116 | 173 | 48.4 | 0 | 0 | 0 | 0 | 109.1 | S292 R295 Q366 I367 | T290-S292 PolarHBondContact O-N 2.97Å; T290-R295 PolarHBondContact O-NH2 3.01Å; T290-Q366 HydrophobicContact CG2-CB 4.06Å; T290-I367 HydrophobicContact CG2-CD1 3.82Å; T290-I367 HydrophobicContact CG2-CG1 3.72Å | ||
| 291 | K | 60.5 | Low | 71.1 | Confident | 160 Ų | 160 | 76.4 Ų | 76.4 | 70% | 0.696 | 42% | 0.42 | S | S | * | . | trans | -58.6 | 105 | 174.6 | -67.9 | -178.6 | -178.8 | 178.7 | 0 | 108.8 | ||||
| 292 | S | 52.9 | Low | 69.9 | Low | 44 Ų | 44 | 77 Ų | 77 | 31% | 0.308 | 43% | 0.428 | S | S | . | . | trans | -106.3 | 106.9 | 164.7 | 65.2 | 0 | 0 | 0 | 0 | 107.8 | T290 S294 R295 | T290-S292 PolarHBondContact O-N 2.97Å; S292-S294 PolarHBondContact O-N 2.82Å; S292-R295 PolarHBondContact O-N 2.87Å; S292-R295 VanDerWaalsContact OG-CG 3.29Å; S292-R295 WeakPolarHBondContact OG-CG 3.23Å; S292-R295 PolarHBondContact OG-NE 3.13Å | ||
| 293 | E | 47.6 | Very low | 68.7 | Low | 203 Ų | 203 | 83.1 Ų | 83.1 | 95% | 0.949 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -53.1 | -21.8 | 173.8 | -67.4 | -176.5 | 157.1 | 0 | 0 | 112.4 | ||
| 294 | S | 45.4 | Very low | 67.3 | Low | 100 Ų | 100 | 84.8 Ų | 84.8 | 70% | 0.699 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -85.7 | -4.1 | -174.7 | 57.6 | 0 | 0 | 0 | 0 | 116.5 | S292 Y296 | S292-S294 PolarHBondContact O-N 2.82Å; S294-Y296 PolarHBondContact O-N 3.03Å; S294-Y296 VanDerWaalsContact O-N 3.17Å |
| 295 | R | 52.2 | Low | 66 | Low | 96 Ų | 96 | 85.7 Ų | 85.7 | 36% | 0.362 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -64.7 | -23 | -174.5 | -102.2 | -179.3 | -119.9 | 174.9 | -0.1 | 114.4 | D289 T290 S292 I325 | D289-R295 IonicContact OD1-CZ 3.73Å; D289-R295 IonicContact OD1-NH1 2.87Å; D289-R295 PolarHBondContact OD1-NH1 3.49Å; D289-R295 IonicContact OD1-NH2 3.4Å; D289-R295 PolarHBondContact OD1-NH2 3.22Å; D289-R295 IonicContact OD2-NH1 3.56Å; T290-R295 PolarHBondContact O-NH2 3.01Å; S292-R295 PolarHBondContact O-N 2.87Å; S292-R295 VanDerWaalsContact OG-CG 3.29Å; S292-R295 WeakPolarHBondContact OG-CG 3.23Å; S292-R295 PolarHBondContact OG-NE 3.13Å; R295-I325 VanDerWaalsContact NH1-CG1 3.26Å |
| 296 | Y | 49.3 | Very low | 65 | Low | 98 Ų | 98 | 91.6 Ų | 91.6 | 38% | 0.384 | 49% | 0.487 | S | S | . | . | G | 310 helix | trans | -117.7 | 12.2 | -171.1 | -62.5 | -61.1 | 0 | 0 | 0 | 115.6 | S294 G298 R321 Q327 | S294-Y296 PolarHBondContact O-N 3.03Å; S294-Y296 VanDerWaalsContact O-N 3.17Å; Y296-G298 PolarHBondContact O-N 2.86Å; Y296-R321 VanDerWaalsContact CD1-NE 3.34Å; Y296-R321 VanDerWaalsContact CZ-NE 3.33Å; Y296-R321 PolarHBondContact OH-NH2 3.22Å; Y296-R321 VanDerWaalsContact OH-NH2 3.09Å; Y296-Q327 PolarHBondContact OH-NE2 2.83Å; Y296-Q327 VanDerWaalsContact OH-NE2 3.11Å |
| 297 | G | 42.9 | Very low | 63.9 | Low | 79 Ų | 79 | 92.8 Ų | 92.8 | 81% | 0.814 | 49% | 0.493 | S | S | * | . | trans | -75.2 | 0 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 298 | G | 43.7 | Very low | 62.7 | Low | 55 Ų | 55 | 91.1 Ų | 91.1 | 57% | 0.567 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -87.9 | 144.5 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | Y296 V300 | Y296-G298 PolarHBondContact O-N 2.86Å; G298-V300 PolarHBondContact O-N 3.03Å |
| 299 | K | 47.4 | Very low | 61.5 | Low | 215 Ų | 215 | 94.2 Ų | 94.2 | 94% | 0.935 | 50% | 0.501 | S | S | * | . | trans | -55.6 | 103.5 | 175.2 | -71.3 | -178.9 | 178.6 | 177.9 | 0 | 111 | T301 | K299-T301 PolarHBondContact O-N 2.83Š| ||
| 300 | V | 60.2 | Low | 60.5 | Low | 63 Ų | 63 | 99.7 Ų | 99.7 | 38% | 0.382 | 53% | 0.531 | S | S | . | . | trans | -72 | 123.5 | 174.6 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | G298 K304 K305 | G298-V300 PolarHBondContact O-N 3.03Å; V300-K304 HydrophobicContact CG1-CB 3.84Å; V300-K304 HydrophobicContact CG1-CD 4.11Å; V300-K304 HydrophobicContact CG1-CG 3.87Å; V300-K305 HydrophobicContact CB-CG 4.45Å; V300-K305 HydrophobicContact CG1-CG 3.76Å | ||
| 301 | T | 69.4 | Low | 60.3 | Low | 90 Ų | 90 | 99.8 Ų | 99.8 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | trans | -68.2 | 153.6 | 176.3 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | K299 M303 K304 K305 | K299-T301 PolarHBondContact O-N 2.83Å; T301-M303 VanDerWaalsContact C-N 3.27Å; T301-M303 PolarHBondContact O-N 3.03Å; T301-K304 PolarHBondContact O-N 2.91Å; T301-K304 VanDerWaalsContact O-N 3.12Å; T301-K304 WeakPolarHBondContact OG1-CB 3.33Å; T301-K304 PolarHBondContact OG1-N 3.47Å; T301-K305 PolarHBondContact O-N 3.17Å | ||
| 302 | A | 72.7 | Confident | 60.6 | Low | 67 Ų | 67 | 94.2 Ų | 94.2 | 55% | 0.554 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.8 | -39.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K304 K305 F306 | A302-K304 PolarHBondContact O-N 3.06Å; A302-K305 WeakPolarHBondContact O-CB 3.47Å; A302-K305 PolarHBondContact O-N 3.04Å; A302-F306 WeakPolarHBondContact O-CD2 3.23Å; A302-F306 PolarHBondContact O-N 2.95Å; A302-F306 VanDerWaalsContact O-N 3.08Å |
| 303 | M | 73.6 | Confident | 61.1 | Low | 137 Ų | 137 | 96.5 Ų | 96.5 | 68% | 0.675 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.5 | -44.3 | 175.9 | -175.1 | 176.9 | -174.6 | 0 | 0 | 112.3 | T301 K305 F306 Q307 | T301-M303 VanDerWaalsContact C-N 3.27Å; T301-M303 PolarHBondContact O-N 3.03Å; M303-K305 VanDerWaalsContact C-N 3.28Å; M303-K305 PolarHBondContact O-N 3.25Å; M303-F306 PolarHBondContact O-N 2.76Å; M303-Q307 PolarHBondContact O-N 2.56Å; M303-Q307 VanDerWaalsContact O-N 3.08Å |
| 304 | K | 68.5 | Low | 61.6 | Low | 101 Ų | 101 | 89.8 Ų | 89.8 | 44% | 0.439 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 176.1 | -171.8 | 168.5 | -178.9 | 174.8 | 0 | 111.2 | V300 T301 A302 Q307 D308 | V300-K304 HydrophobicContact CG1-CB 3.84Å; V300-K304 HydrophobicContact CG1-CD 4.11Å; V300-K304 HydrophobicContact CG1-CG 3.87Å; T301-K304 PolarHBondContact O-N 2.91Å; T301-K304 VanDerWaalsContact O-N 3.12Å; T301-K304 WeakPolarHBondContact OG1-CB 3.33Å; T301-K304 PolarHBondContact OG1-N 3.47Å; A302-K304 PolarHBondContact O-N 3.06Å; K304-Q307 PolarHBondContact O-N 2.7Å; K304-D308 WeakPolarHBondContact O-CB 3.26Å; K304-D308 PolarHBondContact O-N 2.96Å |
| 305 | K | 68.9 | Low | 62.2 | Low | 110 Ų | 110 | 89.2 Ų | 89.2 | 48% | 0.478 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -44 | 172.4 | -66.7 | -176.3 | 178.3 | -174.9 | 0 | 112.6 | V300 T301 A302 M303 D308 I309 N317 | V300-K305 HydrophobicContact CB-CG 4.45Å; V300-K305 HydrophobicContact CG1-CG 3.76Å; T301-K305 PolarHBondContact O-N 3.17Å; A302-K305 WeakPolarHBondContact O-CB 3.47Å; A302-K305 PolarHBondContact O-N 3.04Å; M303-K305 VanDerWaalsContact C-N 3.28Å; M303-K305 PolarHBondContact O-N 3.25Å; K305-D308 PolarHBondContact O-N 2.83Å; K305-I309 WeakPolarHBondContact O-CG1 3.33Å; K305-I309 PolarHBondContact O-N 2.96Å; K305-N317 PolarHBondContact O-ND2 2.89Å |
| 306 | F | 72.8 | Confident | 62.3 | Low | 153 Ų | 153 | 90.8 Ų | 90.8 | 67% | 0.671 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.3 | -43.1 | 179.2 | -78.1 | -69.9 | 0 | 0 | 0 | 112.6 | A302 M303 D308 I309 D310 | A302-F306 WeakPolarHBondContact O-CD2 3.23Å; A302-F306 PolarHBondContact O-N 2.95Å; A302-F306 VanDerWaalsContact O-N 3.08Å; M303-F306 PolarHBondContact O-N 2.76Å; F306-D308 VanDerWaalsContact C-N 3.28Å; F306-D308 PolarHBondContact O-N 3.26Å; F306-I309 PolarHBondContact O-N 2.89Å; F306-D310 PolarHBondContact O-N 3.22Å; F306-D310 VanDerWaalsContact O-N 3.14Å |
| 307 | Q | 70.5 | Confident | 62.5 | Low | 89 Ų | 89 | 87.5 Ų | 87.5 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 174.3 | -70.3 | 177.1 | -28.5 | 0 | 0 | 111.9 | M303 K304 R311 | M303-Q307 PolarHBondContact O-N 2.56Å; M303-Q307 VanDerWaalsContact O-N 3.08Å; K304-Q307 PolarHBondContact O-N 2.7Å; Q307-R311 WeakPolarHBondContact O-CB 3.23Å; Q307-R311 PolarHBondContact O-N 2.99Å; Q307-R311 VanDerWaalsContact O-N 3.17Å |
| 308 | D | 66.1 | Low | 63 | Low | 10 Ų | 10 | 90.5 Ų | 90.5 | 5% | 0.053 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 176.7 | -73.6 | -20.1 | 0 | 0 | 0 | 111.7 | K304 K305 F306 R311 M312 R321 | K304-D308 WeakPolarHBondContact O-CB 3.26Å; K304-D308 PolarHBondContact O-N 2.96Å; K305-D308 PolarHBondContact O-N 2.83Å; F306-D308 VanDerWaalsContact C-N 3.28Å; F306-D308 PolarHBondContact O-N 3.26Å; D308-R311 PolarHBondContact O-N 2.83Å; D308-M312 WeakPolarHBondContact O-CB 3.32Å; D308-M312 WeakPolarHBondContact O-CG 3.18Å; D308-M312 PolarHBondContact O-N 2.86Å; D308-R321 IonicContact OD1-NH1 3.9Å; D308-R321 IonicContact OD2-NH1 3.11Å; D308-R321 PolarHBondContact OD2-NH1 2.88Å; D308-R321 VanDerWaalsContact OD2-NH1 3.11Å |
| 309 | I | 68 | Low | 63.8 | Low | 66 Ų | 66 | 93.4 Ų | 93.4 | 34% | 0.338 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 176.6 | -69.5 | 165.4 | 0 | 0 | 0 | 110.9 | K305 F306 R311 M312 A313 N317 | K305-I309 WeakPolarHBondContact O-CG1 3.33Å; K305-I309 PolarHBondContact O-N 2.96Å; F306-I309 PolarHBondContact O-N 2.89Å; I309-R311 VanDerWaalsContact C-N 3.26Å; I309-R311 PolarHBondContact O-N 2.9Å; I309-M312 PolarHBondContact O-N 2.77Å; I309-A313 WeakPolarHBondContact O-CA 3.47Å; I309-A313 PolarHBondContact O-N 2.69Å; I309-N317 WeakPolarHBondContact CG1-ND2 3.46Å |
| 310 | D | 67.3 | Low | 64.9 | Low | 119 Ų | 119 | 85.2 Ų | 85.2 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.6 | -39.3 | -179.3 | -164.5 | 50 | 0 | 0 | 0 | 111.2 | F306 | F306-D310 PolarHBondContact O-N 3.22Å; F306-D310 VanDerWaalsContact O-N 3.14Å |
| 311 | R | 66.4 | Low | 65.7 | Low | 41 Ų | 41 | 85 Ų | 85 | 16% | 0.155 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -74.1 | -39.8 | 178.7 | -176.8 | -175.4 | -70.2 | 170.9 | -13.2 | 114.1 | G8 Q307 D308 I309 D352 | G8-R311 PolarHBondContact O-NH2 2.69Å; Q307-R311 WeakPolarHBondContact O-CB 3.23Å; Q307-R311 PolarHBondContact O-N 2.99Å; Q307-R311 VanDerWaalsContact O-N 3.17Å; D308-R311 PolarHBondContact O-N 2.83Å; I309-R311 VanDerWaalsContact C-N 3.26Å; I309-R311 PolarHBondContact O-N 2.9Å; R311-D352 VanDerWaalsContact CD-O 3.3Å; R311-D352 WeakPolarHBondContact CD-O 3.3Å; R311-D352 PolarHBondContact NE-O 3.29Å; R311-D352 PolarHBondContact NH2-O 2.97Å |
| 312 | M | 66.1 | Low | 66.5 | Low | 42 Ų | 42 | 83.8 Ų | 83.8 | 21% | 0.207 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -94.3 | -9.2 | -173.4 | -63.7 | 175.6 | 68 | 0 | 0 | 113.2 | D308 I309 T314 S320 | D308-M312 WeakPolarHBondContact O-CB 3.32Å; D308-M312 WeakPolarHBondContact O-CG 3.18Å; D308-M312 PolarHBondContact O-N 2.86Å; I309-M312 PolarHBondContact O-N 2.77Å; M312-T314 PolarHBondContact O-N 3.34Å; M312-T314 VanDerWaalsContact O-N 3.08Å; M312-T314 PolarHBondContact O-OG1 2.97Å; M312-S320 WeakPolarHBondContact CE-O 3.31Å; M312-S320 VanDerWaalsContact CE-OG 3.25Å; M312-S320 WeakPolarHBondContact CE-OG 3.49Å |
| 313 | A | 64.1 | Low | 67.1 | Low | 92 Ų | 92 | 84.9 Ų | 84.9 | 76% | 0.76 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 30.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114 | I309 | I309-A313 WeakPolarHBondContact O-CA 3.47Å; I309-A313 PolarHBondContact O-N 2.69Å |
| 314 | T | 57.8 | Low | 68 | Low | 62 Ų | 62 | 79.1 Ų | 79.1 | 38% | 0.38 | 45% | 0.445 | S | S | . | . | trans | -134.1 | 148.3 | -179.1 | 47.2 | 0 | 0 | 0 | 0 | 111.5 | M312 | M312-T314 PolarHBondContact O-N 3.34Å; M312-T314 VanDerWaalsContact O-N 3.08Å; M312-T314 PolarHBondContact O-OG1 2.97Å | ||
| 315 | A | 57.7 | Low | 69.2 | Low | 89 Ų | 89 | 75 Ų | 75 | 74% | 0.736 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -88 | -22.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 316 | D | 55.3 | Low | 70.4 | Confident | 128 Ų | 128 | 69.8 Ų | 69.8 | 68% | 0.684 | 41% | 0.405 | S | S | * | . | trans | -94.5 | 102.9 | 179.6 | -77.8 | -28.9 | 0 | 0 | 0 | 110.8 | S320 | D316-S320 VanDerWaalsContact O-CB 3.3Å; D316-S320 WeakPolarHBondContact O-CB 3.48Å; D316-S320 PolarHBondContact O-OG 2.89Å | ||
| 317 | N | 52.3 | Low | 71.4 | Confident | 29 Ų | 29 | 63.6 Ų | 63.6 | 16% | 0.155 | 38% | 0.378 | C | S | . | . | trans | -94.9 | -11.3 | -168.9 | -81.4 | 5.2 | 0 | 0 | 0 | 116.7 | K305 I309 | K305-N317 PolarHBondContact O-ND2 2.89Å; I309-N317 WeakPolarHBondContact CG1-ND2 3.46Å | ||
| 318 | T | 55.2 | Low | 72.6 | Confident | 142 Ų | 142 | 62.3 Ų | 62.3 | 87% | 0.871 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -98.5 | -29.8 | -176 | 46.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 319 | S | 59.6 | Low | 74 | Confident | 116 Ų | 116 | 61.9 Ų | 61.9 | 81% | 0.811 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -93.1 | -10.5 | 179 | -170.9 | 0 | 0 | 0 | 0 | 114.1 | ||
| 320 | S | 71.3 | Confident | 75.5 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 30% | 0.301 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -100.7 | -2.5 | -169.7 | 56.8 | 0 | 0 | 0 | 0 | 114.7 | M312 D316 | M312-S320 WeakPolarHBondContact CE-O 3.31Å; M312-S320 VanDerWaalsContact CE-OG 3.25Å; M312-S320 WeakPolarHBondContact CE-OG 3.49Å; D316-S320 VanDerWaalsContact O-CB 3.3Å; D316-S320 WeakPolarHBondContact O-CB 3.48Å; D316-S320 PolarHBondContact O-OG 2.89Å |
| 321 | R | 76.8 | Confident | 76.9 | Confident | 58 Ų | 58 | 54.4 Ų | 54.4 | 22% | 0.219 | 33% | 0.332 | C | S | . | . | trans | -76 | 134.8 | -177.7 | -65.3 | -169.3 | 72.7 | 98.4 | 7.2 | 111.1 | Y296 D308 | Y296-R321 VanDerWaalsContact CD1-NE 3.34Å; Y296-R321 VanDerWaalsContact CZ-NE 3.33Å; Y296-R321 PolarHBondContact OH-NH2 3.22Å; Y296-R321 VanDerWaalsContact OH-NH2 3.09Å; D308-R321 IonicContact OD1-NH1 3.9Å; D308-R321 IonicContact OD2-NH1 3.11Å; D308-R321 PolarHBondContact OD2-NH1 2.88Å; D308-R321 VanDerWaalsContact OD2-NH1 3.11Å | ||
| 322 | L | 85.2 | Confident | 78.5 | Confident | 65 Ų | 65 | 53.4 Ų | 53.4 | 34% | 0.34 | 33% | 0.33 | S | S | . | . | trans | -72.9 | 147.1 | 172.8 | -61.3 | 179.9 | 0 | 0 | 0 | 109.7 | C270 T324 Q327 | C270-L322 HydrophobicContact CB-CD1 3.83Å; C270-L322 WeakPolarHBondContact SG-CD1 3.22Å; L322-T324 WeakPolarHBondContact CB-OG1 3.37Å; L322-T324 PolarHBondContact O-N 3.05Å; L322-T324 VanDerWaalsContact O-N 3.16Å; L322-Q327 PolarHBondContact O-NE2 2.89Å | ||
| 323 | P | 86.1 | Confident | 80 | Confident | 91 Ų | 91 | 51.7 Ų | 51.7 | 59% | 0.591 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -67.7 | -9.6 | 174.7 | 29.3 | -35.4 | 0 | 0 | 0 | 113 | ||
| 324 | T | 91.8 | Very high | 81.7 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 9% | 0.092 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -86 | 162.4 | -175.6 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | C270 C271 D289 L322 H326 Q327 | C270-T324 WeakPolarHBondContact O-CB 3.25Å; C271-T324 HydrophobicContact CB-CG2 3.78Å; D289-T324 VanDerWaalsContact OD2-C 3.24Å; D289-T324 WeakPolarHBondContact OD2-CA 3.43Å; L322-T324 WeakPolarHBondContact CB-OG1 3.37Å; L322-T324 PolarHBondContact O-N 3.05Å; L322-T324 VanDerWaalsContact O-N 3.16Å; T324-H326 CarbonylContact C-O 3.57Å; T324-H326 WeakPolarHBondContact CB-O 3.22Å; T324-H326 PolarHBondContact OG1-O 3.43Å; T324-Q327 PolarHBondContact O-NE2 2.95Å |
| 325 | I | 92.9 | Very high | 83.6 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 8% | 0.082 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -62.3 | -55.7 | 174.7 | -41.7 | -142.6 | 0 | 0 | 0 | 109.5 | A2 D289 R295 V356 W358 | A2-I325 HydrophobicContact CB-CD1 3.42Å; A2-I325 VanDerWaalsContact CB-CD1 3.42Å; D289-I325 HydrophobicContact CB-CG1 4.29Å; D289-I325 WeakPolarHBondContact OD1-CG1 3.06Å; D289-I325 WeakPolarHBondContact OD2-CG1 3.24Å; D289-I325 PolarHBondContact OD2-N 2.68Å; R295-I325 VanDerWaalsContact NH1-CG1 3.26Å; I325-V356 HydrophobicContact CB-CG2 4.34Å; I325-V356 HydrophobicContact CD1-CG1 4.21Å; I325-V356 HydrophobicContact CG2-CG1 4.16Å; I325-V356 HydrophobicContact CG2-CG2 3.68Å; I325-W358 HydrophobicContact CB-CH2 4.5Å; I325-W358 HydrophobicContact CD1-CH2 4.02Å; I325-W358 HydrophobicContact CD1-CZ3 4.13Å; I325-W358 HydrophobicContact CG1-CH2 3.9Å; I325-W358 HydrophobicContact CG1-CZ3 4.4Å |
| 326 | H | 95 | Very high | 85.4 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -70.2 | 138.7 | 172.6 | -74.4 | -78.6 | 0 | 0 | 0 | 109.3 | C270 T324 I330 S348 D352 N354 V356 | C270-H326 HydrophobicContact CB-CB 4.17Å; C270-H326 WeakPolarHBondContact O-CB 3.43Å; T324-H326 CarbonylContact C-O 3.57Å; T324-H326 WeakPolarHBondContact CB-O 3.22Å; T324-H326 PolarHBondContact OG1-O 3.43Å; H326-I330 HydrophobicContact CB-CG1 4.33Å; H326-S348 PolarHBondContact NE2-OG 3.07Å; H326-D352 WeakPolarHBondContact CA-OD2 3.42Å; H326-D352 IonicContact CE1-OD1 3.8Å; H326-D352 IonicContact CG-OD2 3.14Å; H326-D352 IonicContact ND1-OD1 3.13Å; H326-D352 PolarHBondContact ND1-OD1 3.12Å; H326-D352 IonicContact ND1-OD2 2.65Å; H326-D352 PolarHBondContact ND1-OD2 3.04Å; H326-N354 PolarHBondContact CE1-O 2.9Å; H326-N354 VanDerWaalsContact CE1-O 3.29Å; H326-V356 WeakPolarHBondContact NE2-CG2 3.36Å | ||
| 327 | Q | 93.3 | Very high | 87.3 | Confident | 22 Ų | 22 | 43.7 Ų | 43.7 | 10% | 0.103 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -104 | 6.4 | 178.9 | -62.4 | -67 | -66.3 | 0 | 0 | 111.8 | Y296 L322 T324 D352 | Y296-Q327 PolarHBondContact OH-NE2 2.83Å; Y296-Q327 VanDerWaalsContact OH-NE2 3.11Å; L322-Q327 PolarHBondContact O-NE2 2.89Å; T324-Q327 PolarHBondContact O-NE2 2.95Å; Q327-D352 HydrophobicContact CB-CB 4.35Å; Q327-D352 PolarHBondContact N-OD2 2.84Å |
| 328 | N | 95.2 | Very high | 89.4 | Confident | 62 Ų | 62 | 44.9 Ų | 44.9 | 33% | 0.332 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -157.4 | 172.8 | 175.9 | -155.7 | -24.7 | 0 | 0 | 0 | 109.3 | C270 I330 R351 D352 | C270-N328 VanDerWaalsContact SG-CA 3.58Å; C270-N328 PolarHBondContact SG-O 2.83Å; C270-N328 VanDerWaalsContact SG-O 3.32Å; N328-I330 PolarHBondContact O-N 2.89Å; N328-R351 HydrophobicContact CB-CB 3.96Å; N328-D352 HydrophobicContact CB-CB 3.81Å |
| 329 | C | 97 | Very high | 91.4 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | trans | -48.3 | 133.1 | -175.2 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | G267 Y268 G350 R351 | G267-C329 VanDerWaalsContact C-SG 3.55Å; G267-C329 WeakPolarHBondContact O-CA 3.34Å; Y268-C329 HydrophobicContact CD1-CB 3.97Å; Y268-C329 HydrophobicContact CE1-CB 4.22Å; C329-G350 CarbonylContact O-C 3.59Å; C329-G350 VanDerWaalsContact O-CA 3.27Å; C329-G350 WeakPolarHBondContact O-CA 3.44Å; C329-R351 HydrophobicContact CB-CG 4.18Å; C329-R351 PolarHBondContact O-N 2.62Å | ||
| 330 | I | 98.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 128.1 | 167.7 | -62.3 | 172.2 | 0 | 0 | 0 | 107.9 | G267 P272 H326 N328 I333 | G267-I330 PolarHBondContact O-N 3.28Å; P272-I330 HydrophobicContact CG-CD1 3.87Å; H326-I330 HydrophobicContact CB-CG1 4.33Å; N328-I330 PolarHBondContact O-N 2.89Å; I330-I333 HydrophobicContact CG2-CD1 4.34Å; I330-I333 HydrophobicContact CG2-CG1 3.85Å |
| 331 | N | 98.1 | Very high | 94.4 | Very high | 28 Ų | 28 | 40 Ų | 40 | 15% | 0.15 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | -38.8 | -179.4 | -75.6 | -20.4 | 0 | 0 | 0 | 112.2 | S11 L12 V349 R351 | S11-N331 PolarHBondContact OG-ND2 3.42Å; L12-N331 PolarHBondContact O-ND2 2.96Å; N331-V349 PolarHBondContact N-O 3.32Å; N331-R351 VanDerWaalsContact ND2-CG 3.34Å; N331-R351 WeakPolarHBondContact ND2-CG 3.15Å; N331-R351 WeakPolarHBondContact OD1-CG 3.38Å; N331-R351 PolarHBondContact OD1-NE 3.37Å; N331-R351 VanDerWaalsContact OD1-NE 3.13Å |
| 332 | E | 98.6 | Very high | 95.4 | Very high | 20 Ų | 20 | 41.5 Ų | 41.5 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 141.4 | -179.8 | -172.1 | 170.5 | -153.2 | 0 | 0 | 111.3 | S14 H15 K108 R334 S348 V349 | S14-E332 WeakPolarHBondContact CA-OE2 3.38Å; S14-E332 VanDerWaalsContact CB-OE2 3.32Å; S14-E332 WeakPolarHBondContact CB-OE2 3.35Å; S14-E332 PolarHBondContact OG-OE2 2.69Å; H15-E332 PolarHBondContact N-OE2 3.18Å; H15-E332 IonicContact ND1-OE2 3.95Å; K108-E332 IonicContact NZ-OE1 3.55Å; K108-E332 PolarHBondContact NZ-OE1 2.91Å; K108-E332 VanDerWaalsContact NZ-OE1 3.14Å; E332-R334 VanDerWaalsContact CD-NE 3.29Å; E332-R334 HydrophobicContact CG-CG 4.09Å; E332-R334 IonicContact OE1-CZ 2.97Å; E332-R334 VanDerWaalsContact OE1-CZ 3.23Å; E332-R334 IonicContact OE1-NE 3.79Å; E332-R334 PolarHBondContact OE1-NE 3.32Å; E332-R334 IonicContact OE1-NH2 3.78Å; E332-R334 PolarHBondContact OE1-NH2 3.21Å; E332-R334 IonicContact OE2-NE 3.8Å; E332-R334 IonicContact OE2-NH2 3.47Å; E332-S348 VanDerWaalsContact O-CA 3.25Å; E332-S348 WeakPolarHBondContact O-CA 3.45Å; E332-V349 HydrophobicContact CB-CG2 3.93Å; E332-V349 PolarHBondContact N-O 2.75Å; E332-V349 PolarHBondContact O-N 2.86Å |
| 333 | I | 98.7 | Very high | 96 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 134.6 | 169.9 | -58 | 175.3 | 0 | 0 | 0 | 108.2 | S254 I256 V264 P272 I330 L346 S347 | S254-I333 PolarHBondContact OG-N 2.97Å; I256-I333 HydrophobicContact CG2-CB 4.41Å; I256-I333 HydrophobicContact CG2-CG2 3.86Å; V264-I333 HydrophobicContact CG1-CD1 3.9Å; P272-I333 HydrophobicContact CB-CD1 4.05Å; P272-I333 HydrophobicContact CG-CD1 4.39Å; I330-I333 HydrophobicContact CG2-CD1 4.34Å; I330-I333 HydrophobicContact CG2-CG1 3.85Å; I333-L346 HydrophobicContact CG2-CB 4.41Å; I333-L346 HydrophobicContact CG2-CD1 4.14Å; I333-S347 CarbonylContact C-O 3.52Å; I333-S347 VanDerWaalsContact CA-O 3.31Å; I333-S347 WeakPolarHBondContact CA-O 3.29Å |
| 334 | R | 98.2 | Very high | 96.5 | Very high | 26 Ų | 26 | 36.5 Ų | 36.5 | 10% | 0.098 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 153.5 | 175.1 | -66.1 | -160.2 | 175 | -158.7 | 18.6 | 112.4 | H15 I62 D63 E332 L346 S347 | H15-R334 WeakPolarHBondContact O-CD 3.41Å; H15-R334 PolarHBondContact O-NE 3.3Å; H15-R334 PolarHBondContact O-NH2 3.34Å; I62-R334 PolarHBondContact O-NH2 3.4Å; D63-R334 IonicContact OD1-CZ 3.85Å; D63-R334 IonicContact OD1-NH1 3.02Å; D63-R334 PolarHBondContact OD1-NH1 3.49Å; D63-R334 IonicContact OD1-NH2 3.21Å; E332-R334 VanDerWaalsContact CD-NE 3.29Å; E332-R334 HydrophobicContact CG-CG 4.09Å; E332-R334 IonicContact OE1-CZ 2.97Å; E332-R334 VanDerWaalsContact OE1-CZ 3.23Å; E332-R334 IonicContact OE1-NE 3.79Å; E332-R334 PolarHBondContact OE1-NE 3.32Å; E332-R334 IonicContact OE1-NH2 3.78Å; E332-R334 PolarHBondContact OE1-NH2 3.21Å; E332-R334 IonicContact OE2-NE 3.8Å; E332-R334 IonicContact OE2-NH2 3.47Å; R334-L346 CarbonylContact O-C 3.5Å; R334-L346 VanDerWaalsContact O-CA 3.25Å; R334-L346 WeakPolarHBondContact O-CA 3.42Å; R334-S347 PolarHBondContact N-O 3.02Å; R334-S347 PolarHBondContact O-N 3.3Å; R334-S347 PolarHBondContact O-OG 2.55Å |
| 335 | I | 97.7 | Very high | 96.7 | Very high | 38 Ų | 38 | 37.3 Ų | 37.3 | 20% | 0.195 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 127 | 165.3 | -64.4 | 160.7 | 0 | 0 | 0 | 108 | I256 I258 K337 G338 R340 A343 L346 | I256-I335 HydrophobicContact CD1-CD1 3.98Å; I256-I335 HydrophobicContact CD1-CG1 3.88Å; I256-I335 HydrophobicContact CG1-CD1 4.26Å; I256-I335 HydrophobicContact CG1-CG1 4.43Å; I258-I335 HydrophobicContact CG2-CG1 4.37Å; I335-K337 WeakPolarHBondContact CG2-O 3.45Å; I335-G338 WeakPolarHBondContact CG2-O 3.26Å; I335-R340 HydrophobicContact CD1-CB 4.48Å; I335-R340 HydrophobicContact CD1-CG 3.78Å; I335-A343 HydrophobicContact CD1-CB 4.41Å; I335-A343 HydrophobicContact CG1-CB 4.04Å; I335-A343 HydrophobicContact CG2-CB 4.21Å; I335-L346 HydrophobicContact CB-CD2 4.25Å; I335-L346 HydrophobicContact CG1-CD2 3.67Å |
| 336 | L | 96.1 | Very high | 96.9 | Very high | 35 Ų | 35 | 36.5 Ų | 36.5 | 18% | 0.183 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -41.3 | 173.6 | 176.1 | 61.3 | 0 | 0 | 0 | 111 | F17 E345 L357 | F17-L336 HydrophobicContact CB-CD1 4.09Å; F17-L336 HydrophobicContact CD1-CD1 3.59Å; F17-L336 HydrophobicContact CD2-CD1 3.57Å; F17-L336 HydrophobicContact CE1-CD1 3.8Å; F17-L336 HydrophobicContact CE2-CD1 3.79Å; F17-L336 HydrophobicContact CG-CD1 3.46Å; F17-L336 VanDerWaalsContact CG-CD1 3.46Å; F17-L336 HydrophobicContact CZ-CD1 3.89Å; L336-E345 HydrophobicContact CB-CB 4.14Å; L336-E345 HydrophobicContact CD2-CB 4.43Å; L336-E345 PolarHBondContact N-O 3.31Å; L336-L357 HydrophobicContact CD2-CD2 4Å |
| 337 | K | 95.7 | Very high | 97.1 | Very high | 105 Ų | 105 | 36.5 Ų | 36.5 | 46% | 0.457 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 143.3 | 176.2 | -64.3 | -174.2 | -170 | 145.9 | 0 | 111.6 | I335 T344 E345 | I335-K337 WeakPolarHBondContact CG2-O 3.45Å; K337-T344 VanDerWaalsContact CB-OG1 3.29Å; K337-T344 WeakPolarHBondContact CB-OG1 3.49Å; K337-T344 PolarHBondContact O-N 2.84Å; K337-T344 PolarHBondContact O-OG1 3.26Å; K337-E345 HydrophobicContact CB-CB 4.02Å; K337-E345 HydrophobicContact CB-CG 4.33Å; K337-E345 HydrophobicContact CD-CG 4.23Å; K337-E345 WeakPolarHBondContact CD-OE2 3.41Å; K337-E345 WeakPolarHBondContact CE-OE2 3.4Å; K337-E345 HydrophobicContact CG-CB 4.28Å; K337-E345 HydrophobicContact CG-CG 4.45Å; K337-E345 PolarHBondContact N-O 2.98Å; K337-E345 VanDerWaalsContact NZ-CD 3.26Å; K337-E345 IonicContact NZ-OE1 3.86Å; K337-E345 PolarHBondContact NZ-OE1 3.34Å; K337-E345 IonicContact NZ-OE2 3.51Å; K337-E345 PolarHBondContact NZ-OE2 3.35Å; K337-E345 PolarHBondContact O-N 2.9Å |
| 338 | G | 95.9 | Very high | 97.3 | Very high | 54 Ų | 54 | 35.5 Ų | 35.5 | 56% | 0.557 | 19% | 0.193 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | 83.5 | -157.4 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | I335 M342 | I335-G338 WeakPolarHBondContact CG2-O 3.26Å; G338-M342 WeakPolarHBondContact CA-O 3.43Å |
| 339 | D | 96.5 | Very high | 97.5 | Very high | 85 Ų | 85 | 32.5 Ų | 32.5 | 46% | 0.455 | 18% | 0.178 | S | C | . | . | trans | -144.2 | -169.1 | 178.9 | 61.3 | 34 | 0 | 0 | 0 | 110.2 | S341 M342 A343 | D339-S341 PolarHBondContact O-N 2.64Å; D339-S341 WeakPolarHBondContact OD1-CA 3.4Å; D339-S341 VanDerWaalsContact OD1-CB 3.23Å; D339-S341 WeakPolarHBondContact OD1-CB 3.34Å; D339-S341 PolarHBondContact OD1-N 2.9Å; D339-S341 PolarHBondContact OD1-OG 3.06Å; D339-M342 PolarHBondContact N-O 3.1Å; D339-M342 CarbonylContact O-C 3.54Å; D339-M342 VanDerWaalsContact O-C 3.23Å; D339-M342 PolarHBondContact O-N 3.5Å; D339-M342 PolarHBondContact OD1-N 3.28Å; D339-A343 PolarHBondContact O-N 2.81Å | ||
| 340 | R | 98 | Very high | 97.5 | Very high | 59 Ų | 59 | 32.4 Ų | 32.4 | 22% | 0.223 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -69.8 | -12.3 | -178.1 | -58.3 | -175.2 | -171.9 | 178.2 | 0.3 | 113.4 | D154 F213 A215 W257 I258 G259 I335 | D154-R340 IonicContact OD1-CZ 3.7Å; D154-R340 IonicContact OD1-NH1 2.68Å; D154-R340 IonicContact OD1-NH2 2.79Å; D154-R340 PolarHBondContact OD1-NH2 2.81Å; D154-R340 IonicContact OD2-CZ 3.36Å; D154-R340 IonicContact OD2-NH1 3.19Å; D154-R340 PolarHBondContact OD2-NH1 3.08Å; D154-R340 IonicContact OD2-NH2 3.59Å; D154-R340 PolarHBondContact OD2-NH2 3.47Å; F213-R340 WeakPolarHBondContact O-CD 3.36Å; F213-R340 PolarHBondContact O-NH1 2.95Å; A215-R340 HydrophobicContact CB-CB 3.84Å; W257-R340 HydrophobicContact CB-CB 4.28Å; I258-R340 CarbonylContact C-O 3.57Å; G259-R340 CarbonylContact C-O 3.48Å; G259-R340 VanDerWaalsContact CA-O 3.23Å; G259-R340 WeakPolarHBondContact CA-O 3.47Å; G259-R340 PolarHBondContact N-O 3.04Å; I335-R340 HydrophobicContact CD1-CB 4.48Å; I335-R340 HydrophobicContact CD1-CG 3.78Å |
| 341 | S | 97.6 | Very high | 97.4 | Very high | 55 Ų | 55 | 36.9 Ų | 36.9 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -87.1 | -30.9 | 175.5 | 78 | 0 | 0 | 0 | 0 | 111.4 | P260 D339 | P260-S341 WeakPolarHBondContact CD-O 3.31Å; D339-S341 PolarHBondContact O-N 2.64Å; D339-S341 WeakPolarHBondContact OD1-CA 3.4Å; D339-S341 VanDerWaalsContact OD1-CB 3.23Å; D339-S341 WeakPolarHBondContact OD1-CB 3.34Å; D339-S341 PolarHBondContact OD1-N 2.9Å; D339-S341 PolarHBondContact OD1-OG 3.06Å |
| 342 | M | 97.3 | Very high | 97.2 | Very high | 88 Ų | 88 | 35.5 Ų | 35.5 | 43% | 0.433 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -159.9 | 90.1 | 174 | -168 | 69.8 | -164.2 | 0 | 0 | 110.7 | G338 D339 I372 | G338-M342 WeakPolarHBondContact CA-O 3.43Å; D339-M342 PolarHBondContact N-O 3.1Å; D339-M342 CarbonylContact O-C 3.54Å; D339-M342 VanDerWaalsContact O-C 3.23Å; D339-M342 PolarHBondContact O-N 3.5Å; D339-M342 PolarHBondContact OD1-N 3.28Å; M342-I372 HydrophobicContact CE-CB 4.12Å; M342-I372 HydrophobicContact CE-CG2 4.36Å; M342-I372 HydrophobicContact SD-CB 4.24Å; M342-I372 HydrophobicContact SD-CG2 3.83Å |
| 343 | A | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 138.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | I258 I335 D339 L346 F360 I372 | I258-A343 HydrophobicContact CB-CB 3.74Å; I258-A343 HydrophobicContact CG2-CB 4.04Å; I258-A343 PolarHBondContact O-N 2.87Å; I335-A343 HydrophobicContact CD1-CB 4.41Å; I335-A343 HydrophobicContact CG1-CB 4.04Å; I335-A343 HydrophobicContact CG2-CB 4.21Å; D339-A343 PolarHBondContact O-N 2.81Å; A343-L346 HydrophobicContact CB-CD2 4.05Å; A343-F360 HydrophobicContact CB-CE2 4.31Å; A343-I372 HydrophobicContact CB-CD1 4.46Å; A343-I372 WeakPolarHBondContact O-CD1 3.45Å |
| 344 | T | 96 | Very high | 97 | Very high | 52 Ų | 52 | 34.7 Ų | 34.7 | 32% | 0.319 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -27.1 | 174.6 | 53.6 | 0 | 0 | 0 | 0 | 112 | K337 F360 P361 | K337-T344 VanDerWaalsContact CB-OG1 3.29Å; K337-T344 WeakPolarHBondContact CB-OG1 3.49Å; K337-T344 PolarHBondContact O-N 2.84Å; K337-T344 PolarHBondContact O-OG1 3.26Å; T344-F360 PolarHBondContact O-N 3.23Å; T344-P361 WeakPolarHBondContact O-CD 3Å |
| 345 | E | 96.3 | Very high | 97 | Very high | 31 Ų | 31 | 33.4 Ų | 33.4 | 15% | 0.145 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 137.6 | 173.7 | -64.4 | -178.9 | -176.7 | 0 | 0 | 111.2 | L336 K337 W358 N359 | L336-E345 HydrophobicContact CB-CB 4.14Å; L336-E345 HydrophobicContact CD2-CB 4.43Å; L336-E345 PolarHBondContact N-O 3.31Å; K337-E345 HydrophobicContact CB-CB 4.02Å; K337-E345 HydrophobicContact CB-CG 4.33Å; K337-E345 HydrophobicContact CD-CG 4.23Å; K337-E345 WeakPolarHBondContact CD-OE2 3.41Å; K337-E345 WeakPolarHBondContact CE-OE2 3.4Å; K337-E345 HydrophobicContact CG-CB 4.28Å; K337-E345 HydrophobicContact CG-CG 4.45Å; K337-E345 PolarHBondContact N-O 2.98Å; K337-E345 VanDerWaalsContact NZ-CD 3.26Å; K337-E345 IonicContact NZ-OE1 3.86Å; K337-E345 PolarHBondContact NZ-OE1 3.34Å; K337-E345 IonicContact NZ-OE2 3.51Å; K337-E345 PolarHBondContact NZ-OE2 3.35Å; K337-E345 PolarHBondContact O-N 2.9Å; E345-W358 VanDerWaalsContact CA-O 3.29Å; E345-W358 WeakPolarHBondContact CA-O 3.46Å; E345-N359 HydrophobicContact CG-CB 4.25Å; E345-N359 PolarHBondContact OE1-ND2 3.48Å |
| 346 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 161.2 | 167.5 | -53.2 | 180 | 0 | 0 | 0 | 110.8 | I258 V264 L288 I333 R334 I335 A343 L357 W358 F360 | I258-L346 HydrophobicContact CG2-CD1 4.16Å; I258-L346 HydrophobicContact CG2-CD2 3.77Å; V264-L346 HydrophobicContact CB-CD1 4.32Å; V264-L346 HydrophobicContact CG1-CD1 4.39Å; V264-L346 HydrophobicContact CG2-CD1 4.12Å; L288-L346 HydrophobicContact CD1-CD1 4.34Å; I333-L346 HydrophobicContact CG2-CB 4.41Å; I333-L346 HydrophobicContact CG2-CD1 4.14Å; R334-L346 CarbonylContact O-C 3.5Å; R334-L346 VanDerWaalsContact O-CA 3.25Å; R334-L346 WeakPolarHBondContact O-CA 3.42Å; I335-L346 HydrophobicContact CB-CD2 4.25Å; I335-L346 HydrophobicContact CG1-CD2 3.67Å; A343-L346 HydrophobicContact CB-CD2 4.05Å; L346-L357 CarbonylContact O-C 3.57Å; L346-L357 WeakPolarHBondContact O-CA 3.43Å; L346-W358 HydrophobicContact CB-CB 4.19Å; L346-W358 PolarHBondContact N-O 3.21Å; L346-W358 PolarHBondContact O-N 3.49Å; L346-F360 HydrophobicContact CD1-CE2 3.77Å; L346-F360 HydrophobicContact CD1-CZ 3.68Å; L346-F360 HydrophobicContact CD2-CE2 4.16Å; L346-F360 HydrophobicContact CG-CE2 3.57Å; L346-F360 HydrophobicContact CG-CZ 4.02Å |
| 347 | S | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 141.4 | 167 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | H15 I333 R334 V356 | H15-S347 PolarHBondContact NE2-OG 3.36Å; I333-S347 CarbonylContact C-O 3.52Å; I333-S347 VanDerWaalsContact CA-O 3.31Å; I333-S347 WeakPolarHBondContact CA-O 3.29Å; R334-S347 PolarHBondContact N-O 3.02Å; R334-S347 PolarHBondContact O-N 3.3Å; R334-S347 PolarHBondContact O-OG 2.55Å; S347-V356 CarbonylContact C-O 3.56Å; S347-V356 VanDerWaalsContact CA-O 3.28Å; S347-V356 WeakPolarHBondContact CA-O 3.42Å |
| 348 | S | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 143 | 170.4 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | H326 E332 L355 V356 W358 | H326-S348 PolarHBondContact NE2-OG 3.07Å; E332-S348 VanDerWaalsContact O-CA 3.25Å; E332-S348 WeakPolarHBondContact O-CA 3.45Å; S348-L355 CarbonylContact O-C 3.53Å; S348-L355 WeakPolarHBondContact O-CA 3.44Å; S348-V356 PolarHBondContact N-O 3.4Å; S348-V356 PolarHBondContact O-N 3.05Å; S348-W358 PolarHBondContact OG-NE1 2.92Å |
| 349 | V | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 142.8 | 174.1 | -64 | 0 | 0 | 0 | 0 | 110.4 | L12 H15 L26 N331 E332 N354 L355 | L12-V349 HydrophobicContact CB-CB 3.72Å; L12-V349 HydrophobicContact CB-CG1 4.39Å; L12-V349 HydrophobicContact CB-CG2 4.2Å; L12-V349 HydrophobicContact CD1-CB 3.92Å; L12-V349 HydrophobicContact CD1-CG1 3.93Å; L12-V349 HydrophobicContact CG-CB 4.46Å; H15-V349 HydrophobicContact CB-CG1 3.96Å; H15-V349 WeakPolarHBondContact ND1-CG1 3.48Å; H15-V349 VanDerWaalsContact ND1-CG2 3.3Å; H15-V349 WeakPolarHBondContact ND1-CG2 3.37Å; L26-V349 HydrophobicContact CD1-CG1 4.4Å; N331-V349 PolarHBondContact N-O 3.32Å; E332-V349 HydrophobicContact CB-CG2 3.93Å; E332-V349 PolarHBondContact N-O 2.75Å; E332-V349 PolarHBondContact O-N 2.86Å; V349-N354 WeakPolarHBondContact CA-O 3.32Å; V349-L355 HydrophobicContact CG1-CB 4.38Å; V349-L355 HydrophobicContact CG1-CD1 3.58Å |
| 350 | G | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 166.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L12 C329 D352 G353 N354 | L12-G350 WeakPolarHBondContact CB-O 3.48Å; L12-G350 PolarHBondContact N-O 3.17Å; L12-G350 VanDerWaalsContact N-O 3.16Å; C329-G350 CarbonylContact O-C 3.59Å; C329-G350 VanDerWaalsContact O-CA 3.27Å; C329-G350 WeakPolarHBondContact O-CA 3.44Å; G350-D352 WeakPolarHBondContact CA-OD1 3.35Å; G350-D352 PolarHBondContact O-N 2.86Å; G350-D352 VanDerWaalsContact O-N 3.11Å; G350-G353 PolarHBondContact O-N 3.15Å; G350-N354 PolarHBondContact N-O 3.33Å; G350-N354 VanDerWaalsContact N-O 3.16Å |
| 351 | R | 96.6 | Very high | 96.3 | Very high | 93 Ų | 93 | 21.7 Ų | 21.7 | 35% | 0.351 | 12% | 0.115 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -8.2 | 172.2 | -62.9 | -171.7 | -171.2 | 179.8 | 4.2 | 113.5 | Y268 N328 C329 N331 G353 | Y268-R351 PolarHBondContact OH-NH2 3.49Å; N328-R351 HydrophobicContact CB-CB 3.96Å; C329-R351 HydrophobicContact CB-CG 4.18Å; C329-R351 PolarHBondContact O-N 2.62Å; N331-R351 VanDerWaalsContact ND2-CG 3.34Å; N331-R351 WeakPolarHBondContact ND2-CG 3.15Å; N331-R351 WeakPolarHBondContact OD1-CG 3.38Å; N331-R351 PolarHBondContact OD1-NE 3.37Å; N331-R351 VanDerWaalsContact OD1-NE 3.13Å; R351-G353 VanDerWaalsContact C-N 3.32Å |
| 352 | D | 95 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 5.9 | 177.4 | 63.1 | -16.4 | 0 | 0 | 0 | 113.6 | R311 H326 Q327 N328 G350 N354 | R311-D352 VanDerWaalsContact CD-O 3.3Å; R311-D352 WeakPolarHBondContact CD-O 3.3Å; R311-D352 PolarHBondContact NE-O 3.29Å; R311-D352 PolarHBondContact NH2-O 2.97Å; H326-D352 WeakPolarHBondContact CA-OD2 3.42Å; H326-D352 IonicContact CE1-OD1 3.8Å; H326-D352 IonicContact CG-OD2 3.14Å; H326-D352 IonicContact ND1-OD1 3.13Å; H326-D352 PolarHBondContact ND1-OD1 3.12Å; H326-D352 IonicContact ND1-OD2 2.65Å; H326-D352 PolarHBondContact ND1-OD2 3.04Å; Q327-D352 HydrophobicContact CB-CB 4.35Å; Q327-D352 PolarHBondContact N-OD2 2.84Å; N328-D352 HydrophobicContact CB-CB 3.81Å; G350-D352 WeakPolarHBondContact CA-OD1 3.35Å; G350-D352 PolarHBondContact O-N 2.86Å; G350-D352 VanDerWaalsContact O-N 3.11Å; D352-N354 VanDerWaalsContact CG-ND2 3.33Å; D352-N354 PolarHBondContact O-N 3.31Å; D352-N354 PolarHBondContact OD1-N 3.29Å; D352-N354 PolarHBondContact OD2-ND2 2.47Å |
| 353 | G | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 75.7 | 10 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | L7 G8 D10 G350 R351 | L7-G353 PolarHBondContact N-O 3.42Å; G8-G353 PolarHBondContact N-O 3Å; D10-G353 VanDerWaalsContact O-CA 3.24Å; D10-G353 WeakPolarHBondContact O-CA 3.11Å; G350-G353 PolarHBondContact O-N 3.15Å; R351-G353 VanDerWaalsContact C-N 3.32Å |
| 354 | N | 96.4 | Very high | 95 | Very high | 7 Ų | 7 | 20.4 Ų | 20.4 | 4% | 0.037 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 138 | -177.6 | -66.1 | -36.8 | 0 | 0 | 0 | 111.8 | H5 T6 L12 H326 V349 G350 D352 | H5-N354 WeakPolarHBondContact O-CA 3.35Å; T6-N354 WeakPolarHBondContact CA-OD1 3.17Å; T6-N354 WeakPolarHBondContact CB-OD1 3.37Å; T6-N354 PolarHBondContact OG1-OD1 3.48Å; L12-N354 WeakPolarHBondContact CD1-O 3.47Å; H326-N354 PolarHBondContact CE1-O 2.9Å; H326-N354 VanDerWaalsContact CE1-O 3.29Å; V349-N354 WeakPolarHBondContact CA-O 3.32Å; G350-N354 PolarHBondContact N-O 3.33Å; G350-N354 VanDerWaalsContact N-O 3.16Å; D352-N354 VanDerWaalsContact CG-ND2 3.33Å; D352-N354 PolarHBondContact O-N 3.31Å; D352-N354 PolarHBondContact OD1-N 3.29Å; D352-N354 PolarHBondContact OD2-ND2 2.47Å |
| 355 | L | 97.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 127.5 | 160.5 | 171.6 | 71.6 | 0 | 0 | 0 | 107.7 | H5 L7 F17 L24 F46 S348 V349 L357 | H5-L355 PolarHBondContact N-O 3.5Å; H5-L355 PolarHBondContact O-N 3.29Å; L7-L355 HydrophobicContact CD1-CB 3.78Å; L7-L355 HydrophobicContact CD1-CD2 4.22Å; L7-L355 HydrophobicContact CG-CB 4.13Å; F17-L355 HydrophobicContact CZ-CD2 4.29Å; L24-L355 HydrophobicContact CD2-CD2 3.85Å; F46-L355 HydrophobicContact CE1-CD2 3.76Å; F46-L355 HydrophobicContact CE2-CD2 3.95Å; F46-L355 HydrophobicContact CZ-CD2 3.35Å; S348-L355 CarbonylContact O-C 3.53Å; S348-L355 WeakPolarHBondContact O-CA 3.44Å; V349-L355 HydrophobicContact CG1-CB 4.38Å; V349-L355 HydrophobicContact CG1-CD1 3.58Å; L355-L357 HydrophobicContact CD1-CD2 4.35Å; L355-L357 HydrophobicContact CD2-CD2 4.28Å; L355-L357 HydrophobicContact CG-CD2 4.16Å |
| 356 | V | 96.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 128.6 | 176.8 | -175 | 0 | 0 | 0 | 0 | 109.6 | A2 I3 I325 H326 S347 S348 W358 | A2-V356 HydrophobicContact CB-CG1 4.04Å; I3-V356 CarbonylContact O-C 3.56Å; I3-V356 VanDerWaalsContact O-CA 3.32Å; I3-V356 WeakPolarHBondContact O-CA 3.19Å; I325-V356 HydrophobicContact CB-CG2 4.34Å; I325-V356 HydrophobicContact CD1-CG1 4.21Å; I325-V356 HydrophobicContact CG2-CG1 4.16Å; I325-V356 HydrophobicContact CG2-CG2 3.68Å; H326-V356 WeakPolarHBondContact NE2-CG2 3.36Å; S347-V356 CarbonylContact C-O 3.56Å; S347-V356 VanDerWaalsContact CA-O 3.28Å; S347-V356 WeakPolarHBondContact CA-O 3.42Å; S348-V356 PolarHBondContact N-O 3.4Å; S348-V356 PolarHBondContact O-N 3.05Å; V356-W358 HydrophobicContact CB-CZ2 3.99Å; V356-W358 HydrophobicContact CG1-CD2 4.03Å; V356-W358 VanDerWaalsContact CG1-CE2 3.45Å; V356-W358 HydrophobicContact CG1-CH2 4.11Å; V356-W358 HydrophobicContact CG1-CZ2 3.5Å; V356-W358 PolarHBondContact O-NE1 2.86Å |
| 357 | L | 95.8 | Very high | 93 | Very high | 28 Ų | 28 | 28.4 Ų | 28.4 | 15% | 0.147 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.9 | 175.3 | -52.3 | -175 | 0 | 0 | 0 | 109 | A2 I3 F17 L336 L346 L355 | A2-L357 CarbonylContact C-O 3.54Å; A2-L357 WeakPolarHBondContact CA-O 3.36Å; I3-L357 PolarHBondContact N-O 3.44Å; I3-L357 PolarHBondContact O-N 3.08Å; F17-L357 HydrophobicContact CZ-CD2 4.4Å; L336-L357 HydrophobicContact CD2-CD2 4Å; L346-L357 CarbonylContact O-C 3.57Å; L346-L357 WeakPolarHBondContact O-CA 3.43Å; L355-L357 HydrophobicContact CD1-CD2 4.35Å; L355-L357 HydrophobicContact CD2-CD2 4.28Å; L355-L357 HydrophobicContact CG-CD2 4.16Å |
| 358 | W | 95.6 | Very high | 91.9 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.008 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 102.7 | -176.3 | -51.5 | 86.2 | 0 | 0 | 0 | 109.4 | A2 P272 L288 D289 I325 E345 L346 S348 V356 L363 | A2-W358 HydrophobicContact CB-CD2 4.09Å; A2-W358 HydrophobicContact CB-CE3 3.47Å; A2-W358 VanDerWaalsContact CB-CE3 3.47Å; A2-W358 HydrophobicContact CB-CH2 4.43Å; A2-W358 HydrophobicContact CB-CZ3 3.67Å; P272-W358 VanDerWaalsContact CD-CZ2 3.45Å; P272-W358 HydrophobicContact CG-CD2 4.28Å; P272-W358 HydrophobicContact CG-CH2 3.97Å; P272-W358 HydrophobicContact CG-CZ2 3.48Å; P272-W358 VanDerWaalsContact CG-CZ2 3.48Å; L288-W358 HydrophobicContact CB-CD2 4.39Å; L288-W358 HydrophobicContact CB-CE3 3.64Å; L288-W358 HydrophobicContact CB-CZ3 3.78Å; L288-W358 HydrophobicContact CD1-CD2 4.41Å; L288-W358 HydrophobicContact CD1-CE3 4.4Å; L288-W358 HydrophobicContact CD1-CG 4.47Å; D289-W358 HydrophobicContact CB-CH2 4.27Å; D289-W358 HydrophobicContact CB-CZ3 4.2Å; I325-W358 HydrophobicContact CB-CH2 4.5Å; I325-W358 HydrophobicContact CD1-CH2 4.02Å; I325-W358 HydrophobicContact CD1-CZ3 4.13Å; I325-W358 HydrophobicContact CG1-CH2 3.9Å; I325-W358 HydrophobicContact CG1-CZ3 4.4Å; E345-W358 VanDerWaalsContact CA-O 3.29Å; E345-W358 WeakPolarHBondContact CA-O 3.46Å; L346-W358 HydrophobicContact CB-CB 4.19Å; L346-W358 PolarHBondContact N-O 3.21Å; L346-W358 PolarHBondContact O-N 3.49Å; S348-W358 PolarHBondContact OG-NE1 2.92Å; V356-W358 HydrophobicContact CB-CZ2 3.99Å; V356-W358 HydrophobicContact CG1-CD2 4.03Å; V356-W358 VanDerWaalsContact CG1-CE2 3.45Å; V356-W358 HydrophobicContact CG1-CH2 4.11Å; V356-W358 HydrophobicContact CG1-CZ2 3.5Å; V356-W358 PolarHBondContact O-NE1 2.86Å; W358-L363 HydrophobicContact CB-CD1 4.25Å; W358-L363 HydrophobicContact CE3-CD1 4.5Å |
| 359 | N | 94.1 | Very high | 90.9 | Very high | 37 Ų | 37 | 38.2 Ų | 38.2 | 20% | 0.198 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 111.5 | 178.7 | 179.4 | -72 | 0 | 0 | 0 | 110.8 | M1 E345 P361 T362 L363 | M1-N359 PolarHBondContact N-O 3.13Å; M1-N359 PolarHBondContact O-N 3.18Å; E345-N359 HydrophobicContact CG-CB 4.25Å; E345-N359 PolarHBondContact OE1-ND2 3.48Å; N359-P361 VanDerWaalsContact OD1-CD 3.29Å; N359-P361 WeakPolarHBondContact OD1-CD 3.22Å; N359-T362 PolarHBondContact OD1-N 2.71Å; N359-T362 PolarHBondContact OD1-OG1 2.93Å; N359-L363 WeakPolarHBondContact O-CB 3.44Å; N359-L363 WeakPolarHBondContact O-CG 3.4Å; N359-L363 PolarHBondContact O-N 3.33Å |
| 360 | F | 93.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.1 | -48 | -176.2 | -79.1 | -66.3 | 0 | 0 | 0 | 113.9 | I258 L274 L288 A343 T344 L346 T362 L363 Y364 L370 I372 | I258-F360 HydrophobicContact CD1-CE1 4.1Å; I258-F360 HydrophobicContact CD1-CE2 3.85Å; I258-F360 HydrophobicContact CD1-CZ 3.35Å; L274-F360 HydrophobicContact CD1-CE1 4.31Å; L288-F360 HydrophobicContact CD1-CE1 4.32Å; L288-F360 HydrophobicContact CD1-CZ 4.3Å; L288-F360 HydrophobicContact CD2-CE1 4.05Å; A343-F360 HydrophobicContact CB-CE2 4.31Å; T344-F360 PolarHBondContact O-N 3.23Å; L346-F360 HydrophobicContact CD1-CE2 3.77Å; L346-F360 HydrophobicContact CD1-CZ 3.68Å; L346-F360 HydrophobicContact CD2-CE2 4.16Å; L346-F360 HydrophobicContact CG-CE2 3.57Å; L346-F360 HydrophobicContact CG-CZ 4.02Å; F360-T362 VanDerWaalsContact C-N 3.27Å; F360-T362 PolarHBondContact O-N 2.94Å; F360-L363 HydrophobicContact CD1-CD1 4.44Å; F360-L363 CarbonylContact O-C 3.4Å; F360-L363 WeakPolarHBondContact O-CA 3.47Å; F360-L363 PolarHBondContact O-N 2.98Å; F360-Y364 HydrophobicContact CB-CE1 4Å; F360-Y364 HydrophobicContact CB-CE2 4.19Å; F360-Y364 AromaticContact CD1-CE1 3.93Å; F360-Y364 HydrophobicContact CD1-CE1 3.93Å; F360-Y364 HydrophobicContact CG-CE1 4.36Å; F360-Y364 WeakPolarHBondContact O-CD1 3.48Å; F360-Y364 WeakPolarHBondContact O-CD2 3.49Å; F360-Y364 PolarHBondContact O-N 2.8Å; F360-L370 HydrophobicContact CD1-CD2 3.93Å; F360-L370 HydrophobicContact CE1-CD2 4.25Å; F360-I372 HydrophobicContact CB-CD1 4.5Å; F360-I372 HydrophobicContact CD1-CD1 4.17Å; F360-I372 HydrophobicContact CD2-CD1 3.63Å; F360-I372 HydrophobicContact CE1-CD1 4.31Å; F360-I372 HydrophobicContact CE2-CD1 3.74Å; F360-I372 HydrophobicContact CG-CD1 3.86Å; F360-I372 HydrophobicContact CZ-CD1 4.11Å |
| 361 | P | 90.4 | Very high | 89.5 | Confident | 61 Ų | 61 | 44.4 Ų | 44.4 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -48.2 | -48 | 176.6 | -30.9 | 35.3 | 0 | 0 | 0 | 113.4 | T344 N359 Y364 | T344-P361 WeakPolarHBondContact O-CD 3Å; N359-P361 VanDerWaalsContact OD1-CD 3.29Å; N359-P361 WeakPolarHBondContact OD1-CD 3.22Å; P361-Y364 PolarHBondContact O-N 3.24Å |
| 362 | T | 88.5 | Confident | 89 | Confident | 48 Ų | 48 | 40.6 Ų | 40.6 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -78.3 | -20.4 | 178 | -50.5 | 0 | 0 | 0 | 0 | 112.9 | M1 N359 F360 Q366 | M1-T362 HydrophobicContact CB-CG2 3.65Å; M1-T362 VanDerWaalsContact N-C 3.28Å; M1-T362 PolarHBondContact N-O 2.57Å; N359-T362 PolarHBondContact OD1-N 2.71Å; N359-T362 PolarHBondContact OD1-OG1 2.93Å; F360-T362 VanDerWaalsContact C-N 3.27Å; F360-T362 PolarHBondContact O-N 2.94Å; T362-Q366 WeakPolarHBondContact O-CG 3.09Å |
| 363 | L | 89.6 | Confident | 88.5 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -76.1 | -32.5 | 171.9 | -73.7 | 168.9 | 0 | 0 | 0 | 111.7 | W358 N359 F360 E365 Q366 I367 L370 | W358-L363 HydrophobicContact CB-CD1 4.25Å; W358-L363 HydrophobicContact CE3-CD1 4.5Å; N359-L363 WeakPolarHBondContact O-CB 3.44Å; N359-L363 WeakPolarHBondContact O-CG 3.4Å; N359-L363 PolarHBondContact O-N 3.33Å; F360-L363 HydrophobicContact CD1-CD1 4.44Å; F360-L363 CarbonylContact O-C 3.4Å; F360-L363 WeakPolarHBondContact O-CA 3.47Å; F360-L363 PolarHBondContact O-N 2.98Å; L363-E365 PolarHBondContact O-N 2.68Å; L363-Q366 CarbonylContact O-C 3.23Å; L363-Q366 PolarHBondContact O-N 2.86Å; L363-I367 PolarHBondContact O-N 3.06Å; L363-L370 HydrophobicContact CB-CD2 3.42Å; L363-L370 VanDerWaalsContact CB-CD2 3.42Å; L363-L370 HydrophobicContact CD1-CD2 4.26Å; L363-L370 HydrophobicContact CG-CD2 4.41Å |
| 364 | Y | 87.6 | Confident | 88.1 | Confident | 66 Ų | 66 | 46.9 Ų | 46.9 | 26% | 0.259 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.8 | -34.4 | 175.1 | -60.7 | -23.1 | 0 | 0 | 0 | 112.3 | F360 P361 Q366 L370 I372 | F360-Y364 HydrophobicContact CB-CE1 4Å; F360-Y364 HydrophobicContact CB-CE2 4.19Å; F360-Y364 AromaticContact CD1-CE1 3.93Å; F360-Y364 HydrophobicContact CD1-CE1 3.93Å; F360-Y364 HydrophobicContact CG-CE1 4.36Å; F360-Y364 WeakPolarHBondContact O-CD1 3.48Å; F360-Y364 WeakPolarHBondContact O-CD2 3.49Å; F360-Y364 PolarHBondContact O-N 2.8Å; P361-Y364 PolarHBondContact O-N 3.24Å; Y364-Q366 PolarHBondContact O-N 3.4Å; Y364-L370 HydrophobicContact CD1-CB 3.99Å; Y364-L370 HydrophobicContact CD1-CD2 3.86Å; Y364-L370 HydrophobicContact CD1-CG 4Å; Y364-L370 WeakPolarHBondContact CD1-O 3.26Å; Y364-L370 HydrophobicContact CE1-CB 4.34Å; Y364-L370 HydrophobicContact CE1-CD2 4.07Å; Y364-L370 HydrophobicContact CE1-CG 4.01Å; Y364-L370 WeakPolarHBondContact CE1-O 3.44Å; Y364-I372 WeakPolarHBondContact OH-CB 3.44Å; Y364-I372 VanDerWaalsContact OH-CD1 3.3Å; Y364-I372 WeakPolarHBondContact OH-CD1 3.12Å; Y364-I372 WeakPolarHBondContact OH-CG1 3.37Å; Y364-I372 PolarHBondContact OH-N 3.13Å |
| 365 | E | 85.2 | Confident | 87.7 | Confident | 163 Ų | 163 | 48.9 Ų | 48.9 | 76% | 0.762 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24 | 173.7 | -65.1 | 173.7 | 175 | 0 | 0 | 112.8 | L363 | L363-E365 PolarHBondContact O-N 2.68Š|
| 366 | Q | 80.7 | Confident | 87.2 | Confident | 79 Ų | 79 | 51.7 Ų | 51.7 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -23.1 | -176.2 | -61.6 | 179.2 | -6.6 | 0 | 0 | 113 | T290 T362 L363 Y364 | T290-Q366 HydrophobicContact CG2-CB 4.06Å; T362-Q366 WeakPolarHBondContact O-CG 3.09Å; L363-Q366 CarbonylContact O-C 3.23Å; L363-Q366 PolarHBondContact O-N 2.86Å; Y364-Q366 PolarHBondContact O-N 3.4Å |
| 367 | I | 82.4 | Confident | 86.6 | Confident | 9 Ų | 9 | 54.7 Ų | 54.7 | 5% | 0.046 | 29% | 0.294 | C | S | . | . | trans | -133.5 | 102.2 | -172.8 | -54 | 168.6 | 0 | 0 | 0 | 108.4 | H286 T290 L363 D369 L370 | H286-I367 HydrophobicContact CB-CG2 4.22Å; T290-I367 HydrophobicContact CG2-CD1 3.82Å; T290-I367 HydrophobicContact CG2-CG1 3.72Å; L363-I367 PolarHBondContact O-N 3.06Å; I367-D369 PolarHBondContact O-N 2.99Å; I367-D369 VanDerWaalsContact O-N 3.13Å; I367-L370 HydrophobicContact CB-CB 3.75Å; I367-L370 HydrophobicContact CD1-CD2 4.17Å; I367-L370 HydrophobicContact CG2-CB 3.72Å; I367-L370 WeakPolarHBondContact O-CB 3.25Å; I367-L370 PolarHBondContact O-N 3.04Å; I367-L370 VanDerWaalsContact O-N 3.12Å | ||
| 368 | A | 74.3 | Confident | 86 | Confident | 86 Ų | 86 | 56.4 Ų | 56.4 | 71% | 0.711 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -31.3 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 369 | D | 76.9 | Confident | 85.4 | Confident | 120 Ų | 120 | 60 Ų | 60 | 64% | 0.642 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | 2 | -176.9 | -62.9 | -45.2 | 0 | 0 | 0 | 114.1 | V285 I367 K371 | V285-D369 WeakPolarHBondContact CG1-O 3.22Å; I367-D369 PolarHBondContact O-N 2.99Å; I367-D369 VanDerWaalsContact O-N 3.13Å; D369-K371 PolarHBondContact O-N 3.38Å |
| 370 | L | 81.6 | Confident | 84.7 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | trans | -75 | 97.4 | 172.5 | -161.8 | 81.6 | 0 | 0 | 0 | 107.2 | L274 H286 L288 F360 L363 Y364 I367 | L274-L370 HydrophobicContact CB-CD1 4.32Å; L274-L370 HydrophobicContact CD1-CD1 3.67Å; L274-L370 HydrophobicContact CD1-CG 4.33Å; H286-L370 HydrophobicContact CB-CD1 4.39Å; L288-L370 HydrophobicContact CD2-CD1 3.53Å; L288-L370 HydrophobicContact CD2-CD2 4.29Å; F360-L370 HydrophobicContact CD1-CD2 3.93Å; F360-L370 HydrophobicContact CE1-CD2 4.25Å; L363-L370 HydrophobicContact CB-CD2 3.42Å; L363-L370 VanDerWaalsContact CB-CD2 3.42Å; L363-L370 HydrophobicContact CD1-CD2 4.26Å; L363-L370 HydrophobicContact CG-CD2 4.41Å; Y364-L370 HydrophobicContact CD1-CB 3.99Å; Y364-L370 HydrophobicContact CD1-CD2 3.86Å; Y364-L370 HydrophobicContact CD1-CG 4Å; Y364-L370 WeakPolarHBondContact CD1-O 3.26Å; Y364-L370 HydrophobicContact CE1-CB 4.34Å; Y364-L370 HydrophobicContact CE1-CD2 4.07Å; Y364-L370 HydrophobicContact CE1-CG 4.01Å; Y364-L370 WeakPolarHBondContact CE1-O 3.44Å; I367-L370 HydrophobicContact CB-CB 3.75Å; I367-L370 HydrophobicContact CD1-CD2 4.17Å; I367-L370 HydrophobicContact CG2-CB 3.72Å; I367-L370 WeakPolarHBondContact O-CB 3.25Å; I367-L370 PolarHBondContact O-N 3.04Å; I367-L370 VanDerWaalsContact O-N 3.12Å | ||
| 371 | K | 86 | Confident | 84.1 | Confident | 130 Ų | 130 | 66.3 Ų | 66.3 | 57% | 0.565 | 36% | 0.357 | S | S | * | . | trans | -135.3 | 127.8 | 169.4 | -70.2 | -173.2 | -179.3 | 178 | 0 | 109.3 | R276 D369 V373 | R276-K371 PolarHBondContact NH2-O 2.89Å; D369-K371 PolarHBondContact O-N 3.38Å; K371-V373 HydrophobicContact CB-CG1 4.23Å; K371-V373 PolarHBondContact O-N 2.77Å | ||
| 372 | I | 86.2 | Confident | 83.6 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | trans | -73.9 | 121.9 | 163.8 | -63.7 | 170.4 | 0 | 0 | 0 | 107.1 | I258 T262 M342 A343 F360 Y364 | I258-I372 HydrophobicContact CB-CD1 4.49Å; I258-I372 HydrophobicContact CD1-CD1 3.84Å; I258-I372 HydrophobicContact CD1-CG1 3.78Å; I258-I372 HydrophobicContact CG1-CD1 4.32Å; I258-I372 HydrophobicContact CG1-CG1 4.26Å; I258-I372 VanDerWaalsContact O-CG2 3.24Å; I258-I372 WeakPolarHBondContact O-CG2 3.14Å; T262-I372 HydrophobicContact CG2-CG1 4.31Å; M342-I372 HydrophobicContact CE-CB 4.12Å; M342-I372 HydrophobicContact CE-CG2 4.36Å; M342-I372 HydrophobicContact SD-CB 4.24Å; M342-I372 HydrophobicContact SD-CG2 3.83Å; A343-I372 HydrophobicContact CB-CD1 4.46Å; A343-I372 WeakPolarHBondContact O-CD1 3.45Å; F360-I372 HydrophobicContact CB-CD1 4.5Å; F360-I372 HydrophobicContact CD1-CD1 4.17Å; F360-I372 HydrophobicContact CD2-CD1 3.63Å; F360-I372 HydrophobicContact CE1-CD1 4.31Å; F360-I372 HydrophobicContact CE2-CD1 3.74Å; F360-I372 HydrophobicContact CG-CD1 3.86Å; F360-I372 HydrophobicContact CZ-CD1 4.11Å; Y364-I372 WeakPolarHBondContact OH-CB 3.44Å; Y364-I372 VanDerWaalsContact OH-CD1 3.3Å; Y364-I372 WeakPolarHBondContact OH-CD1 3.12Å; Y364-I372 WeakPolarHBondContact OH-CG1 3.37Å; Y364-I372 PolarHBondContact OH-N 3.13Å | ||
| 373 | V | 83.8 | Confident | 83.1 | Confident | 84 Ų | 84 | 68.5 Ų | 68.5 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | trans | -134.2 | 0 | 178 | -66.2 | 0 | 0 | 0 | 0 | 111.3 | P260 S261 T262 K371 | P260-V373 WeakPolarHBondContact CD-O 3.42Å; P260-V373 WeakPolarHBondContact CD-OXT 3.46Å; S261-V373 PolarHBondContact N-O 3.16Å; S261-V373 VanDerWaalsContact OG-C 3.25Å; S261-V373 WeakPolarHBondContact OG-CG2 3.34Å; S261-V373 PolarHBondContact OG-O 3.29Å; T262-V373 PolarHBondContact N-O 3.15Å; T262-V373 PolarHBondContact OG1-N 3.48Å; T262-V373 PolarHBondContact OG1-O 3.3Å; K371-V373 HydrophobicContact CB-CG1 4.23Å; K371-V373 PolarHBondContact O-N 2.77Å |
Retrieved 373 of 373 residues in 671.8 ms
(Link to these results)