| 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 | 42.8 | Very low | 62.4 | Low | 218 Ų | 218 | 58.3 Ų | 58.3 | 100% | 1.074 | 32% | 0.322 | S | S | * | . | 0 | -48.2 | 0 | -82.4 | -164 | -118.5 | 0 | 0 | 113.9 | A5 | M1-A5 PolarHBondContact O-N 2.81Š| |||
| 2 | A | 42.3 | Very low | 64.8 | Low | 61 Ų | 61 | 53.7 Ų | 53.7 | 50% | 0.504 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.2 | -36.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.5 | A5 A6 | A2-A5 PolarHBondContact O-N 3.07Å; A2-A6 PolarHBondContact O-N 3.26Å; A2-A6 VanDerWaalsContact O-N 3.14Å |
| 3 | A | 45.3 | Very low | 66.9 | Low | 42 Ų | 42 | 49.5 Ų | 49.5 | 35% | 0.347 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A5 A6 R7 D74 | A3-A5 VanDerWaalsContact C-N 3.33Å; A3-A5 PolarHBondContact O-N 3.31Å; A3-A6 PolarHBondContact O-N 3.21Å; A3-R7 PolarHBondContact O-N 3.34Å; A3-D74 VanDerWaalsContact CA-O 3.28Å; A3-D74 WeakPolarHBondContact CA-O 3.4Å; A3-D74 WeakPolarHBondContact CB-O 3.46Å |
| 4 | A | 49.7 | Very low | 68.7 | Low | 42 Ų | 42 | 46 Ų | 46 | 35% | 0.347 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A6 R7 W8 | A4-A6 VanDerWaalsContact C-N 3.3Å; A4-A6 PolarHBondContact O-N 2.81Å; A4-R7 PolarHBondContact O-N 3.25Å; A4-W8 VanDerWaalsContact C-CZ3 3.45Å; A4-W8 HydrophobicContact CB-CH2 3.7Å; A4-W8 HydrophobicContact CB-CZ3 3.62Å; A4-W8 WeakPolarHBondContact O-CZ3 3.34Å |
| 5 | A | 58.1 | Low | 70.2 | Confident | 41 Ų | 41 | 42.9 Ų | 42.9 | 34% | 0.339 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.8 | -26.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | M1 A2 A3 N9 | M1-A5 PolarHBondContact O-N 2.81Å; A2-A5 PolarHBondContact O-N 3.07Å; A3-A5 VanDerWaalsContact C-N 3.33Å; A3-A5 PolarHBondContact O-N 3.31Å; A5-N9 PolarHBondContact O-ND2 2.84Å; A5-N9 PolarHBondContact O-OD1 3.43Å |
| 6 | A | 61.8 | Low | 71.3 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.8 | -40 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A2 A3 A4 W8 N9 W12 F33 T72 G75 | A2-A6 PolarHBondContact O-N 3.26Å; A2-A6 VanDerWaalsContact O-N 3.14Å; A3-A6 PolarHBondContact O-N 3.21Å; A4-A6 VanDerWaalsContact C-N 3.3Å; A4-A6 PolarHBondContact O-N 2.81Å; A6-W8 VanDerWaalsContact C-N 3.3Å; A6-W8 PolarHBondContact O-N 3.07Å; A6-N9 PolarHBondContact O-N 2.79Å; A6-W12 HydrophobicContact CB-CH2 4.06Å; A6-W12 VanDerWaalsContact O-CZ2 3.31Å; A6-W12 WeakPolarHBondContact O-CZ2 3.47Å; A6-F33 HydrophobicContact CB-CE1 4.08Å; A6-F33 HydrophobicContact CB-CZ 3.83Å; A6-T72 CarbonylContact C-O 3.33Å; A6-T72 VanDerWaalsContact CB-O 3.25Å; A6-T72 WeakPolarHBondContact CB-O 3.35Å; A6-G75 VanDerWaalsContact CB-CA 3.41Å |
| 7 | R | 64.7 | Low | 72.2 | Confident | 150 Ų | 150 | 43.5 Ų | 43.5 | 57% | 0.566 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.1 | -29.4 | -174.8 | -175.8 | 175.3 | 172.1 | 164.2 | -1.4 | 114.3 | A3 A4 T72 R322 | A3-R7 PolarHBondContact O-N 3.34Å; A4-R7 PolarHBondContact O-N 3.25Å; R7-T72 PolarHBondContact N-O 2.95Å; R7-R322 PolarHBondContact O-NH1 2.77Å |
| 8 | W | 70.4 | Confident | 72.9 | Confident | 63 Ų | 63 | 41.8 Ų | 41.8 | 24% | 0.239 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 13 | -179.9 | -53.4 | -60.7 | 0 | 0 | 0 | 114.1 | A4 A6 N24 E328 | A4-W8 VanDerWaalsContact C-CZ3 3.45Å; A4-W8 HydrophobicContact CB-CH2 3.7Å; A4-W8 HydrophobicContact CB-CZ3 3.62Å; A4-W8 WeakPolarHBondContact O-CZ3 3.34Å; A6-W8 VanDerWaalsContact C-N 3.3Å; A6-W8 PolarHBondContact O-N 3.07Å; W8-N24 PolarHBondContact O-ND2 3.37Å; W8-E328 HydrophobicContact CD2-CG 3.6Å; W8-E328 HydrophobicContact CE3-CG 3.8Å; W8-E328 HydrophobicContact CG-CG 4.43Å; W8-E328 HydrophobicContact CH2-CG 3.51Å; W8-E328 WeakPolarHBondContact CH2-OE1 3.38Å; W8-E328 WeakPolarHBondContact CH2-OE2 3.22Å; W8-E328 HydrophobicContact CZ2-CG 3.16Å; W8-E328 WeakPolarHBondContact CZ2-OE1 3.05Å; W8-E328 HydrophobicContact CZ3-CG 3.74Å; W8-E328 VanDerWaalsContact CZ3-OE1 3.29Å; W8-E328 WeakPolarHBondContact CZ3-OE1 3.3Å; W8-E328 WeakPolarHBondContact CZ3-OE2 3.28Å |
| 9 | N | 80.8 | Confident | 73.7 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.053 | 23% | 0.225 | C | C | . | . | trans | -79 | 127.5 | 172.8 | -69.8 | -36.3 | 0 | 0 | 0 | 110.2 | A5 A6 W12 G22 N24 | A5-N9 PolarHBondContact O-ND2 2.84Å; A5-N9 PolarHBondContact O-OD1 3.43Å; A6-N9 PolarHBondContact O-N 2.79Å; N9-W12 HydrophobicContact CB-CH2 4.1Å; N9-W12 HydrophobicContact CB-CZ2 3.65Å; N9-G22 WeakPolarHBondContact ND2-CA 3.17Å; N9-N24 PolarHBondContact OD1-N 2.92Å | ||
| 10 | H | 82.3 | Confident | 74.6 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 6% | 0.06 | 21% | 0.214 | C | C | . | . | trans | -92.6 | -27.9 | -179.7 | -54.2 | -54 | 0 | 0 | 0 | 112.1 | V23 L25 S320 W325 | H10-V23 PolarHBondContact N-O 2.93Å; H10-L25 HydrophobicContact CB-CD1 3.87Å; H10-L25 HydrophobicContact CB-CG 4.13Å; H10-S320 WeakPolarHBondContact O-CB 3.09Å; H10-S320 PolarHBondContact O-N 3.36Å; H10-W325 AromaticContact CE1-CD1 3.53Å; H10-W325 AromaticContact CE1-CG 3.82Å; H10-W325 AromaticContact CG-NE1 3.9Å; H10-W325 AromaticContact ND1-CD1 3.49Å; H10-W325 AromaticContact ND1-NE1 3.77Å; H10-W325 AromaticContact NE2-CG 3.98Å | ||
| 11 | V | 88.9 | Confident | 75.3 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 129.6 | -178.9 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | V13 G22 V23 L25 L293 I295 L317 L319 | V11-V13 HydrophobicContact CG1-CG2 3.96Å; V11-G22 CarbonylContact O-C 3.28Å; V11-V23 HydrophobicContact CB-CB 4.42Å; V11-V23 PolarHBondContact N-O 2.78Å; V11-V23 VanDerWaalsContact N-O 3.17Å; V11-V23 PolarHBondContact O-N 2.75Å; V11-L25 HydrophobicContact CG2-CD1 4.04Å; V11-L25 HydrophobicContact CG2-CD2 4.2Å; V11-L25 HydrophobicContact CG2-CG 4.3Å; V11-L293 HydrophobicContact CB-CD2 3.97Å; V11-L293 HydrophobicContact CG1-CD1 4.05Å; V11-L293 HydrophobicContact CG1-CD2 3.75Å; V11-L293 HydrophobicContact CG2-CD2 4.42Å; V11-I295 HydrophobicContact CG2-CD1 4.13Å; V11-L317 HydrophobicContact CG1-CD1 4.03Å; V11-L317 HydrophobicContact CG1-CD2 3.92Å; V11-L317 HydrophobicContact CG1-CG 3.85Å; V11-L319 HydrophobicContact CG2-CD1 3.9Å; V11-L319 HydrophobicContact CG2-CG 4.2Å |
| 12 | W | 91.1 | Very high | 77.5 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 1% | 0.011 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 135.7 | 174.9 | -60.8 | 92.6 | 0 | 0 | 0 | 109.6 | A6 N9 L20 K21 F33 W50 I58 F70 T72 L317 L318 | A6-W12 HydrophobicContact CB-CH2 4.06Å; A6-W12 VanDerWaalsContact O-CZ2 3.31Å; A6-W12 WeakPolarHBondContact O-CZ2 3.47Å; N9-W12 HydrophobicContact CB-CH2 4.1Å; N9-W12 HydrophobicContact CB-CZ2 3.65Å; W12-L20 HydrophobicContact CB-CD1 4.42Å; W12-L20 HydrophobicContact CE3-CD1 4.38Å; W12-L20 HydrophobicContact CE3-CD2 4.05Å; W12-L20 HydrophobicContact CE3-CG 4.03Å; W12-L20 HydrophobicContact CZ3-CD2 4.29Å; W12-L20 HydrophobicContact CZ3-CG 4.5Å; W12-K21 CarbonylContact C-O 3.59Å; W12-K21 WeakPolarHBondContact CA-O 3.5Å; W12-F33 HydrophobicContact CH2-CD2 4.41Å; W12-F33 AromaticContact CH2-CE2 3.87Å; W12-F33 HydrophobicContact CH2-CE2 3.87Å; W12-F33 HydrophobicContact CH2-CZ 4.28Å; W12-F33 AromaticContact CZ3-CD2 3.65Å; W12-F33 HydrophobicContact CZ3-CD2 3.65Å; W12-F33 AromaticContact CZ3-CE2 3.48Å; W12-F33 HydrophobicContact CZ3-CE2 3.48Å; W12-F33 VanDerWaalsContact CZ3-CE2 3.48Å; W12-F33 HydrophobicContact CZ3-CZ 4.3Å; W12-W50 AromaticContact CD1-CH2 3.63Å; W12-W50 AromaticContact NE1-CH2 3.72Å; W12-I58 HydrophobicContact CB-CD1 4.09Å; W12-I58 HydrophobicContact CD2-CD1 3.46Å; W12-I58 VanDerWaalsContact CD2-CD1 3.46Å; W12-I58 HydrophobicContact CE3-CD1 4.07Å; W12-I58 HydrophobicContact CG-CD1 3.44Å; W12-I58 VanDerWaalsContact CG-CD1 3.44Å; W12-I58 HydrophobicContact CZ2-CD1 4.34Å; W12-F70 HydrophobicContact CE3-CE1 4.29Å; W12-F70 AromaticContact CH2-CE1 3.44Å; W12-F70 HydrophobicContact CH2-CE1 3.44Å; W12-F70 VanDerWaalsContact CH2-CE1 3.44Å; W12-F70 AromaticContact CH2-CZ 3.95Å; W12-F70 HydrophobicContact CH2-CZ 3.95Å; W12-F70 HydrophobicContact CZ2-CE1 4.24Å; W12-F70 HydrophobicContact CZ3-CD1 4.39Å; W12-F70 AromaticContact CZ3-CE1 3.47Å; W12-F70 HydrophobicContact CZ3-CE1 3.47Å; W12-F70 VanDerWaalsContact CZ3-CE1 3.47Å; W12-F70 AromaticContact CZ3-CZ 3.86Å; W12-F70 HydrophobicContact CZ3-CZ 3.86Å; W12-T72 HydrophobicContact CH2-CG2 4.47Å; W12-T72 HydrophobicContact CZ2-CG2 3.77Å; W12-L317 CarbonylContact O-C 3.55Å; W12-L317 WeakPolarHBondContact O-CA 3.25Å; W12-L318 HydrophobicContact CB-CB 4.17Å; W12-L318 PolarHBondContact N-O 3.18Å; W12-L318 PolarHBondContact O-N 3.3Å |
| 13 | V | 91.6 | Very high | 79.7 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 127.6 | -174.3 | -168.7 | 0 | 0 | 0 | 0 | 109.9 | V11 K21 L293 L310 L314 C316 L317 | V11-V13 HydrophobicContact CG1-CG2 3.96Å; V13-K21 PolarHBondContact N-O 3.39Å; V13-K21 PolarHBondContact O-N 2.9Å; V13-L293 HydrophobicContact CG2-CD1 4.38Å; V13-L293 HydrophobicContact CG2-CD2 4.24Å; V13-L310 HydrophobicContact CB-CD1 4.28Å; V13-L310 HydrophobicContact CG1-CD1 4.42Å; V13-L310 HydrophobicContact CG2-CD1 4.07Å; V13-L314 HydrophobicContact CG1-CB 3.8Å; V13-L314 HydrophobicContact CG1-CD1 3.99Å; V13-L314 HydrophobicContact CG1-CD2 3.6Å; V13-L314 HydrophobicContact CG1-CG 3.95Å; V13-C316 WeakPolarHBondContact CG1-O 3.32Å; V13-L317 HydrophobicContact CG2-CD1 4.34Å; V13-L317 HydrophobicContact CG2-CG 4.47Å |
| 14 | G | 91.6 | Very high | 81.6 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 136.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | N315 C316 | G14-N315 PolarHBondContact O-N 2.82Å; G14-C316 PolarHBondContact N-O 2.87Å |
| 15 | T | 91.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 159.7 | -179.8 | 63.5 | 0 | 0 | 0 | 0 | 112.7 | T17 G18 I19 K21 V45 Q313 L314 | T15-T17 PolarHBondContact O-N 3.31Å; T15-T17 PolarHBondContact OG1-OG1 3.45Å; T15-G18 PolarHBondContact O-N 3.43Å; T15-I19 PolarHBondContact N-O 2.75Å; T15-I19 VanDerWaalsContact N-O 3.11Å; T15-I19 WeakPolarHBondContact OG1-CA 3.4Å; T15-I19 WeakPolarHBondContact OG1-CB 3.44Å; T15-I19 PolarHBondContact OG1-N 3.32Å; T15-I19 PolarHBondContact OG1-O 3Å; T15-K21 HydrophobicContact CG2-CD 3.98Å; T15-K21 HydrophobicContact CG2-CG 4.17Å; T15-V45 PolarHBondContact O-N 3.07Å; T15-Q313 WeakPolarHBondContact CA-O 3.24Å; T15-Q313 WeakPolarHBondContact CB-O 3.34Å; T15-L314 HydrophobicContact CG2-CD2 3.86Å |
| 16 | E | 88.4 | Confident | 84 | Confident | 59 Ų | 59 | 22.5 Ų | 22.5 | 28% | 0.276 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.1 | 175 | -169.5 | -177.4 | -174.2 | 0 | 0 | 113.3 | G18 A44 Q313 | E16-G18 VanDerWaalsContact C-N 3.33Å; E16-A44 WeakPolarHBondContact O-CA 3.17Å; E16-A44 WeakPolarHBondContact O-CB 3.23Å; E16-Q313 PolarHBondContact N-O 3.04Å; E16-Q313 PolarHBondContact OE2-OE1 3.16Å |
| 17 | T | 86.2 | Confident | 84.6 | Confident | 37 Ų | 37 | 28.4 Ų | 28.4 | 23% | 0.227 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 11.5 | 179.6 | 59.2 | 0 | 0 | 0 | 0 | 113.1 | T15 I19 P39 R40 | T15-T17 PolarHBondContact O-N 3.31Å; T15-T17 PolarHBondContact OG1-OG1 3.45Å; T17-I19 VanDerWaalsContact C-N 3.29Å; T17-I19 PolarHBondContact O-N 2.94Å; T17-I19 WeakPolarHBondContact OG1-CD1 3.26Å; T17-P39 VanDerWaalsContact O-CB 3.25Å; T17-P39 WeakPolarHBondContact O-CB 3.45Å; T17-R40 CarbonylContact C-O 3.58Å; T17-R40 VanDerWaalsContact C-O 3.28Å; T17-R40 PolarHBondContact O-N 3.43Å |
| 18 | G | 84.4 | Confident | 85.1 | Confident | 13 Ų | 13 | 28.1 Ų | 28.1 | 13% | 0.134 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 77.6 | 8.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | T15 E16 E43 | T15-G18 PolarHBondContact O-N 3.43Å; E16-G18 VanDerWaalsContact C-N 3.33Å; G18-E43 WeakPolarHBondContact CA-O 3.33Å |
| 19 | I | 89.6 | Confident | 85.6 | Confident | 19 Ų | 19 | 30.9 Ų | 30.9 | 10% | 0.097 | 14% | 0.144 | C | C | . | . | trans | -86.7 | 131.2 | 177.4 | -53.1 | 170.7 | 0 | 0 | 0 | 108.6 | T15 T17 K21 N32 T34 P39 | T15-I19 PolarHBondContact N-O 2.75Å; T15-I19 VanDerWaalsContact N-O 3.11Å; T15-I19 WeakPolarHBondContact OG1-CA 3.4Å; T15-I19 WeakPolarHBondContact OG1-CB 3.44Å; T15-I19 PolarHBondContact OG1-N 3.32Å; T15-I19 PolarHBondContact OG1-O 3Å; T17-I19 VanDerWaalsContact C-N 3.29Å; T17-I19 PolarHBondContact O-N 2.94Å; T17-I19 WeakPolarHBondContact OG1-CD1 3.26Å; I19-K21 HydrophobicContact CG2-CG 3.96Å; I19-N32 HydrophobicContact CG2-CB 3.87Å; I19-T34 HydrophobicContact CB-CG2 4.43Å; I19-T34 HydrophobicContact CG1-CG2 3.98Å; I19-T34 HydrophobicContact CG2-CG2 4.15Å; I19-P39 HydrophobicContact CD1-CB 3.83Å; I19-P39 HydrophobicContact CD1-CG 4.08Å; I19-P39 HydrophobicContact CG1-CB 3.69Å; I19-P39 HydrophobicContact CG1-CG 4.44Å | ||
| 20 | L | 90.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 124.4 | 165.8 | -179.5 | 66.5 | 0 | 0 | 0 | 108.4 | W12 F33 L48 V60 F70 F77 | W12-L20 HydrophobicContact CB-CD1 4.42Å; W12-L20 HydrophobicContact CE3-CD1 4.38Å; W12-L20 HydrophobicContact CE3-CD2 4.05Å; W12-L20 HydrophobicContact CE3-CG 4.03Å; W12-L20 HydrophobicContact CZ3-CD2 4.29Å; W12-L20 HydrophobicContact CZ3-CG 4.5Å; L20-F33 HydrophobicContact CB-CB 4.39Å; L20-F33 PolarHBondContact N-O 3.34Å; L20-F33 PolarHBondContact O-N 3.24Å; L20-L48 HydrophobicContact CD1-CD1 4.22Å; L20-L48 HydrophobicContact CD1-CD2 3.85Å; L20-V60 HydrophobicContact CD1-CG2 4.48Å; L20-V60 HydrophobicContact CD2-CG2 4.07Å; L20-F70 HydrophobicContact CD2-CB 4.16Å; L20-F70 HydrophobicContact CD2-CD1 3.64Å; L20-F70 HydrophobicContact CD2-CD2 4.07Å; L20-F70 HydrophobicContact CD2-CE1 4.01Å; L20-F70 HydrophobicContact CD2-CE2 4.4Å; L20-F70 HydrophobicContact CD2-CG 3.66Å; L20-F70 HydrophobicContact CD2-CZ 4.37Å; L20-F77 HydrophobicContact CB-CZ 4.27Å; L20-F77 HydrophobicContact CD2-CZ 4.4Å |
| 21 | K | 90.4 | Very high | 85.8 | Confident | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.035 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.8 | 179.3 | -58.9 | -168 | 178.7 | -170.4 | 0 | 110.1 | W12 V13 T15 I19 A31 N32 L310 S312 | W12-K21 CarbonylContact C-O 3.59Å; W12-K21 WeakPolarHBondContact CA-O 3.5Å; V13-K21 PolarHBondContact N-O 3.39Å; V13-K21 PolarHBondContact O-N 2.9Å; T15-K21 HydrophobicContact CG2-CD 3.98Å; T15-K21 HydrophobicContact CG2-CG 4.17Å; I19-K21 HydrophobicContact CG2-CG 3.96Å; K21-A31 CarbonylContact C-O 3.54Å; K21-A31 VanDerWaalsContact CA-O 3.29Å; K21-A31 WeakPolarHBondContact CA-O 3.37Å; K21-N32 VanDerWaalsContact CD-OD1 3.24Å; K21-N32 WeakPolarHBondContact CD-OD1 3.38Å; K21-N32 WeakPolarHBondContact CE-OD1 3.27Å; K21-N32 WeakPolarHBondContact CG-OD1 3.38Å; K21-L310 HydrophobicContact CD-CB 4.24Å; K21-L310 HydrophobicContact CD-CD2 4.34Å; K21-L310 PolarHBondContact NZ-O 2.68Å; K21-S312 PolarHBondContact NZ-OG 2.77Å |
| 22 | G | 89.1 | Confident | 85.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 130.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | N9 V11 A30 A31 | N9-G22 WeakPolarHBondContact ND2-CA 3.17Å; V11-G22 CarbonylContact O-C 3.28Å; G22-A30 CarbonylContact O-C 3.55Å; G22-A30 WeakPolarHBondContact O-CA 3.43Å; G22-A31 PolarHBondContact N-O 3.48Å; G22-A31 PolarHBondContact O-N 2.86Å |
| 23 | V | 87.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 122.3 | 179.4 | -174.2 | 0 | 0 | 0 | 0 | 109.2 | H10 V11 L25 Q29 A30 L293 V308 L310 | H10-V23 PolarHBondContact N-O 2.93Å; V11-V23 HydrophobicContact CB-CB 4.42Å; V11-V23 PolarHBondContact N-O 2.78Å; V11-V23 VanDerWaalsContact N-O 3.17Å; V11-V23 PolarHBondContact O-N 2.75Å; V23-L25 HydrophobicContact CG1-CD2 4.13Å; V23-Q29 WeakPolarHBondContact CA-O 3.47Å; V23-A30 HydrophobicContact CG2-CB 4.19Å; V23-L293 HydrophobicContact CB-CD2 3.96Å; V23-L293 HydrophobicContact CG1-CD2 4.05Å; V23-L293 HydrophobicContact CG2-CD2 3.81Å; V23-V308 HydrophobicContact CG1-CB 4.4Å; V23-V308 HydrophobicContact CG1-CG1 4.14Å; V23-V308 HydrophobicContact CG1-CG2 4.12Å; V23-L310 HydrophobicContact CG2-CD1 4.15Å; V23-L310 HydrophobicContact CG2-CD2 3.83Å |
| 24 | N | 85.8 | Confident | 85 | Confident | 10 Ų | 10 | 42 Ų | 42 | 5% | 0.053 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 117.9 | 167.1 | -177.9 | -45.5 | 0 | 0 | 0 | 108.3 | W8 N9 Q26 R27 K28 Q29 | W8-N24 PolarHBondContact O-ND2 3.37Å; N9-N24 PolarHBondContact OD1-N 2.92Å; N24-Q26 WeakPolarHBondContact OD1-CB 3.38Å; N24-Q26 PolarHBondContact OD1-N 2.83Å; N24-R27 PolarHBondContact OD1-N 2.78Å; N24-K28 VanDerWaalsContact O-CA 3.27Å; N24-K28 WeakPolarHBondContact O-CA 3.42Å; N24-K28 PolarHBondContact O-N 3.4Å; N24-Q29 PolarHBondContact N-O 3.45Å; N24-Q29 PolarHBondContact O-N 2.87Å |
| 25 | L | 80.4 | Confident | 83.8 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -31.6 | -174.4 | -58.1 | 170.9 | 0 | 0 | 0 | 113.1 | H10 V11 V23 I295 H306 W325 | H10-L25 HydrophobicContact CB-CD1 3.87Å; H10-L25 HydrophobicContact CB-CG 4.13Å; V11-L25 HydrophobicContact CG2-CD1 4.04Å; V11-L25 HydrophobicContact CG2-CD2 4.2Å; V11-L25 HydrophobicContact CG2-CG 4.3Å; V23-L25 HydrophobicContact CG1-CD2 4.13Å; L25-I295 HydrophobicContact CD1-CD1 3.12Å; L25-I295 HydrophobicContact CD2-CD1 3.24Å; L25-I295 HydrophobicContact CD2-CG1 4.3Å; L25-I295 HydrophobicContact CG-CD1 3.73Å; L25-H306 HydrophobicContact CD2-CB 4.42Å; L25-H306 PolarHBondContact O-CE1 3.05Å; L25-H306 VanDerWaalsContact O-CE1 3.24Å; L25-H306 PolarHBondContact O-ND1 3.38Å; L25-W325 HydrophobicContact CD1-CH2 3.89Å; L25-W325 HydrophobicContact CD1-CZ2 3.84Å |
| 26 | Q | 76.9 | Confident | 82.5 | Confident | 85 Ų | 85 | 46.8 Ų | 46.8 | 40% | 0.397 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -53.1 | 177.5 | -59.3 | -174.5 | -47.2 | 0 | 0 | 110.7 | N24 K28 W325 | N24-Q26 WeakPolarHBondContact OD1-CB 3.38Å; N24-Q26 PolarHBondContact OD1-N 2.83Å; Q26-K28 PolarHBondContact O-N 3.05Å; Q26-W325 PolarHBondContact NE2-O 3.33Å |
| 27 | R | 74 | Confident | 81.5 | Confident | 124 Ų | 124 | 47.3 Ų | 47.3 | 47% | 0.468 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -12.4 | 179.3 | -66 | -170.7 | 174.6 | 172 | 6.5 | 112.8 | N24 Q29 E328 | N24-R27 PolarHBondContact OD1-N 2.78Å; R27-Q29 HydrophobicContact CB-CB 4.2Å; R27-Q29 HydrophobicContact CB-CG 4.04Å; R27-Q29 PolarHBondContact O-N 2.93Å; R27-Q29 VanDerWaalsContact O-N 3.16Å; R27-E328 IonicContact CZ-OE2 3.88Å; R27-E328 IonicContact NH1-OE2 3.95Å; R27-E328 IonicContact NH2-OE2 3.69Å; R27-E328 PolarHBondContact NH2-OE2 3.24Å |
| 28 | K | 75.4 | Confident | 80.9 | Confident | 145 Ų | 145 | 53.5 Ų | 53.5 | 63% | 0.63 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.1 | 30.7 | -171.2 | -59.4 | 178 | -178.4 | 173.6 | 0 | 112.2 | N24 Q26 | N24-K28 VanDerWaalsContact O-CA 3.27Å; N24-K28 WeakPolarHBondContact O-CA 3.42Å; N24-K28 PolarHBondContact O-N 3.4Å; Q26-K28 PolarHBondContact O-N 3.05Å |
| 29 | Q | 80.4 | Confident | 80.5 | Confident | 121 Ų | 121 | 56.5 Ų | 56.5 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 144.4 | -179.7 | -74.4 | 176.9 | -1.5 | 0 | 0 | 109.8 | V23 N24 R27 | V23-Q29 WeakPolarHBondContact CA-O 3.47Å; N24-Q29 PolarHBondContact N-O 3.45Å; N24-Q29 PolarHBondContact O-N 2.87Å; R27-Q29 HydrophobicContact CB-CB 4.2Å; R27-Q29 HydrophobicContact CB-CG 4.04Å; R27-Q29 PolarHBondContact O-N 2.93Å; R27-Q29 VanDerWaalsContact O-N 3.16Å |
| 30 | A | 83.1 | Confident | 80.2 | Confident | 47 Ų | 47 | 62.7 Ų | 62.7 | 39% | 0.388 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 122.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | G22 V23 L310 | G22-A30 CarbonylContact O-C 3.55Å; G22-A30 WeakPolarHBondContact O-CA 3.43Å; V23-A30 HydrophobicContact CG2-CB 4.19Å; A30-L310 HydrophobicContact CB-CD2 3.42Å; A30-L310 VanDerWaalsContact CB-CD2 3.42Å |
| 31 | A | 85.1 | Confident | 79.9 | Confident | 27 Ų | 27 | 71.6 Ų | 71.6 | 22% | 0.223 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 140.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | K21 G22 F33 | K21-A31 CarbonylContact C-O 3.54Å; K21-A31 VanDerWaalsContact CA-O 3.29Å; K21-A31 WeakPolarHBondContact CA-O 3.37Å; G22-A31 PolarHBondContact N-O 3.48Å; G22-A31 PolarHBondContact O-N 2.86Å; A31-F33 HydrophobicContact CB-CE2 3.67Å; A31-F33 HydrophobicContact CB-CZ 3.81Å |
| 32 | N | 88.1 | Confident | 79.5 | Confident | 101 Ų | 101 | 77.9 Ų | 77.9 | 54% | 0.54 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 132.4 | 176.2 | -60.6 | -41.2 | 0 | 0 | 0 | 109 | I19 K21 | I19-N32 HydrophobicContact CG2-CB 3.87Å; K21-N32 VanDerWaalsContact CD-OD1 3.24Å; K21-N32 WeakPolarHBondContact CD-OD1 3.38Å; K21-N32 WeakPolarHBondContact CE-OD1 3.27Å; K21-N32 WeakPolarHBondContact CG-OD1 3.38Å |
| 33 | F | 84.9 | Confident | 79.2 | Confident | 15 Ų | 15 | 80.6 Ų | 80.6 | 7% | 0.066 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.5 | 177 | -57.1 | -86.8 | 0 | 0 | 0 | 109.2 | A6 W12 L20 A31 F70 G75 F77 | A6-F33 HydrophobicContact CB-CE1 4.08Å; A6-F33 HydrophobicContact CB-CZ 3.83Å; W12-F33 HydrophobicContact CH2-CD2 4.41Å; W12-F33 AromaticContact CH2-CE2 3.87Å; W12-F33 HydrophobicContact CH2-CE2 3.87Å; W12-F33 HydrophobicContact CH2-CZ 4.28Å; W12-F33 AromaticContact CZ3-CD2 3.65Å; W12-F33 HydrophobicContact CZ3-CD2 3.65Å; W12-F33 AromaticContact CZ3-CE2 3.48Å; W12-F33 HydrophobicContact CZ3-CE2 3.48Å; W12-F33 VanDerWaalsContact CZ3-CE2 3.48Å; W12-F33 HydrophobicContact CZ3-CZ 4.3Å; L20-F33 HydrophobicContact CB-CB 4.39Å; L20-F33 PolarHBondContact N-O 3.34Å; L20-F33 PolarHBondContact O-N 3.24Å; A31-F33 HydrophobicContact CB-CE2 3.67Å; A31-F33 HydrophobicContact CB-CZ 3.81Å; F33-F70 HydrophobicContact CB-CE2 3.74Å; F33-F70 HydrophobicContact CB-CZ 4.11Å; F33-F70 AromaticContact CD1-CE2 3.73Å; F33-F70 HydrophobicContact CD1-CE2 3.73Å; F33-F70 AromaticContact CD1-CZ 3.64Å; F33-F70 HydrophobicContact CD1-CZ 3.64Å; F33-F70 HydrophobicContact CD2-CZ 4.07Å; F33-F70 HydrophobicContact CE1-CE2 4.48Å; F33-F70 HydrophobicContact CE1-CZ 4.01Å; F33-F70 HydrophobicContact CE2-CZ 4.4Å; F33-F70 AromaticContact CG-CE2 3.76Å; F33-F70 HydrophobicContact CG-CE2 3.76Å; F33-F70 AromaticContact CG-CZ 3.66Å; F33-F70 HydrophobicContact CG-CZ 3.66Å; F33-F70 HydrophobicContact CZ-CZ 4.37Å; F33-G75 WeakPolarHBondContact CD1-O 3.39Å; F33-F77 HydrophobicContact CB-CE2 4.1Å |
| 34 | T | 82.3 | Confident | 79.2 | Confident | 68 Ų | 68 | 81.2 Ų | 81.2 | 42% | 0.417 | 43% | 0.428 | S | S | . | . | trans | -134.6 | 137.8 | -179.5 | 51 | 0 | 0 | 0 | 0 | 109.4 | I19 G36 | I19-T34 HydrophobicContact CB-CG2 4.43Å; I19-T34 HydrophobicContact CG1-CG2 3.98Å; I19-T34 HydrophobicContact CG2-CG2 4.15Å; T34-G36 PolarHBondContact O-N 2.86Å | ||
| 35 | A | 65.9 | Low | 79.4 | Confident | 51 Ų | 51 | 80.7 Ų | 80.7 | 42% | 0.421 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -73 | -6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K68 F77 | A35-K68 HydrophobicContact CB-CD 3.88Å; A35-F77 HydrophobicContact CB-CB 4.14Å; A35-F77 HydrophobicContact CB-CD1 3.93Å; A35-F77 HydrophobicContact CB-CD2 3.74Å; A35-F77 HydrophobicContact CB-CE1 4.24Å; A35-F77 HydrophobicContact CB-CE2 4.08Å; A35-F77 HydrophobicContact CB-CG 3.64Å; A35-F77 HydrophobicContact CB-CZ 4.31Å; A35-F77 VanDerWaalsContact N-CE2 3.34Å |
| 36 | G | 63.6 | Low | 79.9 | Confident | 51 Ų | 51 | 81.7 Ų | 81.7 | 53% | 0.526 | 43% | 0.432 | S | S | . | . | S | Bend | trans | 140.5 | 147 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | T34 | T34-G36 PolarHBondContact O-N 2.86Š|
| 37 | G | 68.6 | Low | 80.4 | Confident | 69 Ų | 69 | 77.9 Ų | 77.9 | 71% | 0.711 | 42% | 0.415 | S | S | * | . | S | Bend | trans | 76 | -173.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 38 | Q | 72.3 | Confident | 81.3 | Confident | 168 Ų | 168 | 72.8 Ų | 72.8 | 79% | 0.785 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -76.5 | 142.4 | 175.8 | -73.8 | -179.2 | -7.6 | 0 | 0 | 110.8 | R40 | Q38-R40 PolarHBondContact O-N 2.81Š|
| 39 | P | 76.9 | Confident | 82 | Confident | 76 Ų | 76 | 67.1 Ų | 67.1 | 49% | 0.494 | 38% | 0.376 | S | S | . | . | trans | -65.1 | 125.3 | -179.5 | 27.7 | -35.1 | 0 | 0 | 0 | 111.3 | T17 I19 | T17-P39 VanDerWaalsContact O-CB 3.25Å; T17-P39 WeakPolarHBondContact O-CB 3.45Å; I19-P39 HydrophobicContact CD1-CB 3.83Å; I19-P39 HydrophobicContact CD1-CG 4.08Å; I19-P39 HydrophobicContact CG1-CB 3.69Å; I19-P39 HydrophobicContact CG1-CG 4.44Å | ||
| 40 | R | 83.3 | Confident | 82.4 | Confident | 149 Ų | 149 | 63.6 Ų | 63.6 | 56% | 0.562 | 36% | 0.357 | S | S | * | . | trans | -114.7 | 148.2 | 179.6 | -65.3 | -178.5 | -178.2 | -166.5 | 2.1 | 110.7 | T17 Q38 E42 E43 | T17-R40 CarbonylContact C-O 3.58Å; T17-R40 VanDerWaalsContact C-O 3.28Å; T17-R40 PolarHBondContact O-N 3.43Å; Q38-R40 PolarHBondContact O-N 2.81Å; R40-E42 PolarHBondContact O-N 2.8Å; R40-E43 PolarHBondContact O-N 2.97Å | ||
| 41 | R | 82.8 | Confident | 82.4 | Confident | 188 Ų | 188 | 61.8 Ų | 61.8 | 71% | 0.709 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -68.9 | -23.1 | 175.1 | -68.4 | -174.3 | -179.8 | -176.4 | -0.1 | 113.1 | E43 A44 | R41-E43 PolarHBondContact O-N 2.87Å; R41-A44 VanDerWaalsContact O-CB 3.31Å; R41-A44 WeakPolarHBondContact O-CB 3.29Å; R41-A44 PolarHBondContact O-N 3.01Å |
| 42 | E | 81.9 | Confident | 81.7 | Confident | 140 Ų | 140 | 63.7 Ų | 63.7 | 65% | 0.654 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -65.9 | -27.9 | 175.8 | -65.8 | 171.3 | 179.9 | 0 | 0 | 112 | R40 A44 A63 D64 | R40-E42 PolarHBondContact O-N 2.8Å; E42-A44 VanDerWaalsContact C-N 3.3Å; E42-A44 PolarHBondContact O-N 3.35Å; E42-A63 CarbonylContact O-C 3.55Å; E42-A63 WeakPolarHBondContact O-CB 3.44Å; E42-D64 PolarHBondContact O-N 2.66Å |
| 43 | E | 83.7 | Confident | 80.6 | Confident | 56 Ų | 56 | 61.1 Ų | 61.1 | 26% | 0.262 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -94.9 | 19.5 | 177.8 | -58.5 | -174.2 | -164.9 | 0 | 0 | 112.5 | G18 R40 R41 V45 C62 K68 | G18-E43 WeakPolarHBondContact CA-O 3.33Å; R40-E43 PolarHBondContact O-N 2.97Å; R41-E43 PolarHBondContact O-N 2.87Å; E43-V45 PolarHBondContact O-N 3.38Å; E43-C62 PolarHBondContact O-SG 2.93Å; E43-K68 IonicContact OE2-NZ 3.29Å; E43-K68 PolarHBondContact OE2-NZ 2.94Å |
| 44 | A | 87.9 | Confident | 80 | Confident | 13 Ų | 13 | 62.2 Ų | 62.2 | 11% | 0.107 | 37% | 0.365 | C | S | . | . | trans | -46.7 | 130 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E16 R41 E42 S46 C62 A63 | E16-A44 WeakPolarHBondContact O-CA 3.17Å; E16-A44 WeakPolarHBondContact O-CB 3.23Å; R41-A44 VanDerWaalsContact O-CB 3.31Å; R41-A44 WeakPolarHBondContact O-CB 3.29Å; R41-A44 PolarHBondContact O-N 3.01Å; E42-A44 VanDerWaalsContact C-N 3.3Å; E42-A44 PolarHBondContact O-N 3.35Å; A44-S46 PolarHBondContact O-N 2.92Å; A44-C62 CarbonylContact O-C 3.53Å; A44-C62 WeakPolarHBondContact O-CA 3.46Å; A44-A63 HydrophobicContact CB-CB 4.06Å; A44-A63 PolarHBondContact O-N 3.4Å | ||
| 45 | V | 90.7 | Very high | 79.8 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 119.4 | 176.2 | -172.6 | 0 | 0 | 0 | 0 | 108.2 | T15 E43 L48 V60 N315 C316 | T15-V45 PolarHBondContact O-N 3.07Å; E43-V45 PolarHBondContact O-N 3.38Å; V45-L48 HydrophobicContact CG1-CD2 3.96Å; V45-L48 HydrophobicContact CG1-CG 4.07Å; V45-V60 HydrophobicContact CB-CG1 4.27Å; V45-V60 HydrophobicContact CG1-CG1 3.56Å; V45-V60 HydrophobicContact CG2-CG1 3.76Å; V45-N315 VanDerWaalsContact O-CB 3.27Å; V45-N315 WeakPolarHBondContact O-CB 3.38Å; V45-N315 PolarHBondContact O-ND2 2.88Å; V45-C316 VanDerWaalsContact CG1-SG 3.59Å |
| 46 | S | 89.8 | Confident | 80.5 | Confident | 21 Ų | 21 | 60.5 Ų | 60.5 | 15% | 0.147 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | -41.5 | -176.3 | 59.3 | 0 | 0 | 0 | 0 | 112 | A44 G61 F90 | A44-S46 PolarHBondContact O-N 2.92Å; S46-G61 PolarHBondContact N-O 3.19Å; S46-G61 PolarHBondContact OG-O 2.86Å; S46-F90 WeakPolarHBondContact CB-O 3.25Å; S46-F90 PolarHBondContact OG-O 3.46Å |
| 47 | A | 88.9 | Confident | 81.6 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 149 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G61 L93 | A47-G61 PolarHBondContact N-O 2.87Å; A47-G61 PolarHBondContact O-N 2.89Å; A47-L93 HydrophobicContact CB-CB 4Å |
| 48 | L | 91.8 | Very high | 82.6 | Confident | 17 Ų | 17 | 57.3 Ų | 57.3 | 9% | 0.089 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 140.3 | 173.6 | -71.5 | 171.6 | 0 | 0 | 0 | 109.1 | L20 V45 I58 L59 V60 C316 L318 | L20-L48 HydrophobicContact CD1-CD1 4.22Å; L20-L48 HydrophobicContact CD1-CD2 3.85Å; V45-L48 HydrophobicContact CG1-CD2 3.96Å; V45-L48 HydrophobicContact CG1-CG 4.07Å; L48-I58 HydrophobicContact CD2-CG2 3.94Å; L48-L59 WeakPolarHBondContact CA-O 3.3Å; L48-V60 HydrophobicContact CD2-CB 4.18Å; L48-V60 HydrophobicContact CD2-CG1 4.09Å; L48-V60 HydrophobicContact CD2-CG2 3.77Å; L48-C316 HydrophobicContact CD1-CB 4.4Å; L48-C316 HydrophobicContact CG-CB 4.46Å; L48-L318 HydrophobicContact CB-CB 4.18Å; L48-L318 HydrophobicContact CD1-CB 4.28Å |
| 49 | C | 89.7 | Confident | 83.5 | Confident | 27 Ų | 27 | 49.3 Ų | 49.3 | 18% | 0.182 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 150.4 | 175 | -159.9 | 0 | 0 | 0 | 0 | 110.9 | I58 L59 L93 | C49-I58 WeakPolarHBondContact O-CA 2.92Å; C49-L59 HydrophobicContact CB-CB 4.49Å; C49-L59 PolarHBondContact N-O 2.8Å; C49-L59 VanDerWaalsContact N-O 3.08Å; C49-L59 PolarHBondContact O-N 2.8Å; C49-L93 HydrophobicContact CB-CD2 3.61Å; C49-L93 WeakPolarHBondContact CB-O 3.35Å; C49-L93 PolarHBondContact SG-O 3.23Å; C49-L93 VanDerWaalsContact SG-O 3.39Å |
| 50 | W | 88.8 | Confident | 84.1 | Confident | 46 Ų | 46 | 45.8 Ų | 45.8 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 148.1 | 168.5 | -70.5 | 120.6 | 0 | 0 | 0 | 110 | W12 E55 I58 T72 L318 L319 | W12-W50 AromaticContact CD1-CH2 3.63Å; W12-W50 AromaticContact NE1-CH2 3.72Å; W50-E55 HydrophobicContact CD2-CG 4.1Å; W50-E55 HydrophobicContact CE3-CB 4.12Å; W50-E55 HydrophobicContact CE3-CG 4.2Å; W50-E55 HydrophobicContact CH2-CB 4.15Å; W50-E55 HydrophobicContact CH2-CG 4.3Å; W50-E55 HydrophobicContact CZ2-CG 4.21Å; W50-E55 HydrophobicContact CZ3-CB 3.91Å; W50-E55 HydrophobicContact CZ3-CG 4.28Å; W50-I58 HydrophobicContact CE3-CD1 4.43Å; W50-I58 HydrophobicContact CE3-CG1 3.63Å; W50-I58 HydrophobicContact CH2-CD1 3.96Å; W50-I58 HydrophobicContact CH2-CG1 4.06Å; W50-I58 HydrophobicContact CZ3-CD1 3.69Å; W50-I58 HydrophobicContact CZ3-CG1 3.31Å; W50-T72 HydrophobicContact CZ3-CG2 4.05Å; W50-L318 HydrophobicContact CD2-CD1 4.42Å; W50-L318 HydrophobicContact CD2-CD2 3.45Å; W50-L318 VanDerWaalsContact CD2-CD2 3.45Å; W50-L318 HydrophobicContact CD2-CG 4Å; W50-L318 VanDerWaalsContact CE2-CG 3.41Å; W50-L318 HydrophobicContact CE3-CD2 3.9Å; W50-L318 HydrophobicContact CG-CD1 4.15Å; W50-L318 HydrophobicContact CG-CD2 3.86Å; W50-L318 HydrophobicContact CG-CG 4.26Å; W50-L318 HydrophobicContact CH2-CD2 4.15Å; W50-L318 HydrophobicContact CZ2-CD2 3.72Å; W50-L318 HydrophobicContact CZ2-CG 3.74Å; W50-L318 HydrophobicContact CZ3-CD2 4.24Å; W50-L319 PolarHBondContact NE1-O 3.35Å |
| 51 | G | 82.9 | Confident | 84.4 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 9% | 0.093 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 172.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G53 G54 Q57 | G51-G53 PolarHBondContact O-N 2.86Å; G51-G54 PolarHBondContact O-N 2.93Å; G51-Q57 PolarHBondContact N-O 3.45Å |
| 52 | T | 70.8 | Confident | 84.7 | Confident | 67 Ų | 67 | 29.8 Ų | 29.8 | 41% | 0.411 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -20.2 | -177.6 | 47.2 | 0 | 0 | 0 | 0 | 113.8 | G54 Q95 D97 | T52-G54 PolarHBondContact O-N 3.13Å; T52-Q95 HydrophobicContact CG2-CB 4.22Å; T52-Q95 HydrophobicContact CG2-CG 3.75Å; T52-D97 VanDerWaalsContact CG2-N 3.27Å |
| 53 | G | 66.1 | Low | 84.9 | Confident | 48 Ų | 48 | 24.4 Ų | 24.4 | 50% | 0.495 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | 18.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G51 T56 | G51-G53 PolarHBondContact O-N 2.86Å; G53-T56 PolarHBondContact O-OG1 3.19Å |
| 54 | G | 72 | Confident | 85 | Confident | 38 Ų | 38 | 24 Ų | 24 | 39% | 0.392 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 74.7 | -144.1 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G51 T52 T56 | G51-G54 PolarHBondContact O-N 2.93Å; T52-G54 PolarHBondContact O-N 3.13Å; G54-T56 PolarHBondContact O-N 3.12Å |
| 55 | E | 77.6 | Confident | 84.9 | Confident | 43 Ų | 43 | 28.2 Ų | 28.2 | 20% | 0.201 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 40 | -176.5 | -59 | -179.6 | -171.1 | 0 | 0 | 113.4 | W50 T72 S320 G321 R322 | W50-E55 HydrophobicContact CD2-CG 4.1Å; W50-E55 HydrophobicContact CE3-CB 4.12Å; W50-E55 HydrophobicContact CE3-CG 4.2Å; W50-E55 HydrophobicContact CH2-CB 4.15Å; W50-E55 HydrophobicContact CH2-CG 4.3Å; W50-E55 HydrophobicContact CZ2-CG 4.21Å; W50-E55 HydrophobicContact CZ3-CB 3.91Å; W50-E55 HydrophobicContact CZ3-CG 4.28Å; E55-T72 PolarHBondContact O-OG1 2.95Å; E55-S320 WeakPolarHBondContact OE2-CA 3.46Å; E55-S320 VanDerWaalsContact OE2-CB 3.25Å; E55-S320 WeakPolarHBondContact OE2-CB 3.46Å; E55-S320 PolarHBondContact OE2-OG 3.4Å; E55-G321 VanDerWaalsContact OE1-CA 3.22Å; E55-G321 WeakPolarHBondContact OE1-CA 3.29Å; E55-G321 PolarHBondContact OE1-N 2.93Å; E55-G321 PolarHBondContact OE2-N 3.4Å; E55-R322 PolarHBondContact O-NH2 3.42Å; E55-R322 WeakPolarHBondContact OE2-CG 3.07Å; E55-R322 IonicContact OE2-NE 2.81Å |
| 56 | T | 81.3 | Confident | 84.8 | Confident | 39 Ų | 39 | 28.9 Ų | 28.9 | 24% | 0.239 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -29.4 | 178 | 54.4 | 0 | 0 | 0 | 0 | 111.2 | G53 G54 T72 E73 | G53-T56 PolarHBondContact O-OG1 3.19Å; G54-T56 PolarHBondContact O-N 3.12Å; T56-T72 WeakPolarHBondContact CA-OG1 3.36Å; T56-T72 PolarHBondContact O-N 3.29Å; T56-T72 PolarHBondContact O-OG1 3.46Å; T56-E73 WeakPolarHBondContact CG2-OE1 3.46Å |
| 57 | Q | 86.7 | Confident | 84.8 | Confident | 53 Ų | 53 | 27.9 Ų | 27.9 | 25% | 0.248 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.9 | -178.9 | -68.4 | -179 | -20.9 | 0 | 0 | 111 | G51 F70 | G51-Q57 PolarHBondContact N-O 3.45Å; Q57-F70 CarbonylContact C-O 3.52Å; Q57-F70 WeakPolarHBondContact CA-O 3.33Å |
| 58 | I | 89.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 130.3 | 173.9 | -61.8 | 172.2 | 0 | 0 | 0 | 108.1 | W12 L48 C49 W50 V60 F70 T72 L318 | W12-I58 HydrophobicContact CB-CD1 4.09Å; W12-I58 HydrophobicContact CD2-CD1 3.46Å; W12-I58 VanDerWaalsContact CD2-CD1 3.46Å; W12-I58 HydrophobicContact CE3-CD1 4.07Å; W12-I58 HydrophobicContact CG-CD1 3.44Å; W12-I58 VanDerWaalsContact CG-CD1 3.44Å; W12-I58 HydrophobicContact CZ2-CD1 4.34Å; L48-I58 HydrophobicContact CD2-CG2 3.94Å; C49-I58 WeakPolarHBondContact O-CA 2.92Å; W50-I58 HydrophobicContact CE3-CD1 4.43Å; W50-I58 HydrophobicContact CE3-CG1 3.63Å; W50-I58 HydrophobicContact CH2-CD1 3.96Å; W50-I58 HydrophobicContact CH2-CG1 4.06Å; W50-I58 HydrophobicContact CZ3-CD1 3.69Å; W50-I58 HydrophobicContact CZ3-CG1 3.31Å; I58-V60 HydrophobicContact CG2-CG2 4.09Å; I58-F70 HydrophobicContact CB-CB 4.37Å; I58-F70 HydrophobicContact CB-CD1 4.36Å; I58-F70 HydrophobicContact CD1-CD1 4.24Å; I58-F70 PolarHBondContact N-O 2.99Å; I58-F70 PolarHBondContact O-N 3.37Å; I58-T72 HydrophobicContact CD1-CG2 3.55Å; I58-T72 HydrophobicContact CG1-CG2 3.77Å; I58-L318 HydrophobicContact CD1-CD2 4.32Å; I58-L318 HydrophobicContact CG1-CD2 4.06Å; I58-L318 HydrophobicContact CG2-CD2 4.01Å |
| 59 | L | 89.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 127.1 | 169 | -60.7 | -175.1 | 0 | 0 | 0 | 110 | L48 C49 V67 H69 L93 Q95 L100 | L48-L59 WeakPolarHBondContact CA-O 3.3Å; C49-L59 HydrophobicContact CB-CB 4.49Å; C49-L59 PolarHBondContact N-O 2.8Å; C49-L59 VanDerWaalsContact N-O 3.08Å; C49-L59 PolarHBondContact O-N 2.8Å; L59-V67 HydrophobicContact CB-CG1 4.22Å; L59-V67 HydrophobicContact CD2-CG1 4.34Å; L59-H69 HydrophobicContact CD2-CB 4.39Å; L59-H69 VanDerWaalsContact CD2-CD2 3.49Å; L59-H69 WeakPolarHBondContact CD2-CD2 2.93Å; L59-L93 HydrophobicContact CB-CD2 3.47Å; L59-L93 VanDerWaalsContact CB-CD2 3.47Å; L59-L93 HydrophobicContact CD1-CD2 3.61Å; L59-L93 HydrophobicContact CG-CD2 4.24Å; L59-Q95 HydrophobicContact CD1-CB 3.75Å; L59-Q95 HydrophobicContact CD1-CG 4.04Å; L59-Q95 VanDerWaalsContact CD1-OE1 3.23Å; L59-L100 HydrophobicContact CD1-CD1 3.56Å |
| 60 | V | 90.4 | Very high | 84.6 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 108.5 | -177.8 | -173.8 | 0 | 0 | 0 | 0 | 108.5 | L20 V45 L48 I58 V67 K68 F70 F77 | L20-V60 HydrophobicContact CD1-CG2 4.48Å; L20-V60 HydrophobicContact CD2-CG2 4.07Å; V45-V60 HydrophobicContact CB-CG1 4.27Å; V45-V60 HydrophobicContact CG1-CG1 3.56Å; V45-V60 HydrophobicContact CG2-CG1 3.76Å; L48-V60 HydrophobicContact CD2-CB 4.18Å; L48-V60 HydrophobicContact CD2-CG1 4.09Å; L48-V60 HydrophobicContact CD2-CG2 3.77Å; I58-V60 HydrophobicContact CG2-CG2 4.09Å; V60-V67 WeakPolarHBondContact O-CA 3.24Å; V60-K68 HydrophobicContact CB-CB 4.27Å; V60-K68 PolarHBondContact N-O 2.82Å; V60-K68 PolarHBondContact O-N 2.91Å; V60-F70 HydrophobicContact CG2-CB 4.45Å; V60-F77 HydrophobicContact CG2-CE1 4.28Å |
| 61 | G | 89.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 111.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S46 A47 | S46-G61 PolarHBondContact N-O 3.19Å; S46-G61 PolarHBondContact OG-O 2.86Å; A47-G61 PolarHBondContact N-O 2.87Å; A47-G61 PolarHBondContact O-N 2.89Å |
| 62 | C | 89.5 | Confident | 84.5 | Confident | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.007 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 155.2 | 178 | -75.3 | 0 | 0 | 0 | 0 | 111.8 | E43 A44 D64 R65 T66 F90 | E43-C62 PolarHBondContact O-SG 2.93Å; A44-C62 CarbonylContact O-C 3.53Å; A44-C62 WeakPolarHBondContact O-CA 3.46Å; C62-D64 WeakPolarHBondContact CB-OD1 3.34Å; C62-D64 PolarHBondContact O-N 2.83Å; C62-R65 PolarHBondContact O-N 2.99Å; C62-T66 PolarHBondContact N-O 3.35Å; C62-F90 VanDerWaalsContact O-CD2 3.24Å; C62-F90 WeakPolarHBondContact O-CD2 3.36Å; C62-F90 WeakPolarHBondContact O-CE2 3.25Å |
| 63 | A | 86.8 | Confident | 84.9 | Confident | 28 Ų | 28 | 27.1 Ų | 27.1 | 23% | 0.231 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -17.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E42 A44 R65 I89 | E42-A63 CarbonylContact O-C 3.55Å; E42-A63 WeakPolarHBondContact O-CB 3.44Å; A44-A63 HydrophobicContact CB-CB 4.06Å; A44-A63 PolarHBondContact O-N 3.4Å; A63-R65 PolarHBondContact O-N 2.94Å; A63-I89 HydrophobicContact CB-CG2 3.84Å |
| 64 | D | 85.4 | Confident | 85.4 | Confident | 47 Ų | 47 | 28.3 Ų | 28.3 | 25% | 0.251 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | 4.3 | 173.2 | 66.7 | -4.8 | 0 | 0 | 0 | 113.9 | E42 C62 T66 | E42-D64 PolarHBondContact O-N 2.66Å; C62-D64 WeakPolarHBondContact CB-OD1 3.34Å; C62-D64 PolarHBondContact O-N 2.83Å; D64-T66 VanDerWaalsContact C-N 3.27Å; D64-T66 VanDerWaalsContact CG-OG1 3.22Å; D64-T66 WeakPolarHBondContact OD1-CB 3.44Å; D64-T66 PolarHBondContact OD1-N 3.04Å; D64-T66 PolarHBondContact OD1-OG1 2.72Å; D64-T66 PolarHBondContact OD2-OG1 2.89Å; D64-T66 VanDerWaalsContact OD2-OG1 3.09Å |
| 65 | R | 86.1 | Confident | 85.8 | Confident | 102 Ų | 102 | 26.9 Ų | 26.9 | 39% | 0.385 | 14% | 0.136 | S | C | . | . | S | Bend | trans | 69.2 | 22.1 | -176.5 | -52.2 | 167.7 | -68.4 | -162 | -0.3 | 113.8 | C62 A63 C83 F90 | C62-R65 PolarHBondContact O-N 2.99Å; A63-R65 PolarHBondContact O-N 2.94Å; R65-C83 PolarHBondContact O-N 2.97Å; R65-F90 VanDerWaalsContact CA-CE2 3.44Å; R65-F90 HydrophobicContact CB-CE2 4.42Å; R65-F90 HydrophobicContact CB-CZ 4.12Å |
| 66 | T | 88.4 | Confident | 86.1 | Confident | 13 Ų | 13 | 30 Ų | 30 | 8% | 0.08 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 140.8 | 169.1 | 69.2 | 0 | 0 | 0 | 0 | 110.8 | C62 D64 R81 | C62-T66 PolarHBondContact N-O 3.35Å; D64-T66 VanDerWaalsContact C-N 3.27Å; D64-T66 VanDerWaalsContact CG-OG1 3.22Å; D64-T66 WeakPolarHBondContact OD1-CB 3.44Å; D64-T66 PolarHBondContact OD1-N 3.04Å; D64-T66 PolarHBondContact OD1-OG1 2.72Å; D64-T66 PolarHBondContact OD2-OG1 2.89Å; D64-T66 VanDerWaalsContact OD2-OG1 3.09Å; T66-R81 CarbonylContact C-O 3.59Å; T66-R81 VanDerWaalsContact CA-O 3.28Å; T66-R81 WeakPolarHBondContact CA-O 3.46Å |
| 67 | V | 89 | Confident | 86.2 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 115.2 | 166.8 | 179.9 | 0 | 0 | 0 | 0 | 107 | L59 V60 Q80 R81 F90 L93 L100 T102 | L59-V67 HydrophobicContact CB-CG1 4.22Å; L59-V67 HydrophobicContact CD2-CG1 4.34Å; V60-V67 WeakPolarHBondContact O-CA 3.24Å; V67-Q80 WeakPolarHBondContact O-CA 3.36Å; V67-R81 PolarHBondContact N-O 2.96Å; V67-R81 PolarHBondContact O-N 2.82Å; V67-F90 HydrophobicContact CG2-CE2 4.14Å; V67-F90 HydrophobicContact CG2-CZ 4.2Å; V67-L93 HydrophobicContact CB-CD1 4.44Å; V67-L93 HydrophobicContact CG1-CD1 3.91Å; V67-L93 HydrophobicContact CG2-CD1 3.72Å; V67-L100 HydrophobicContact CB-CD2 4.26Å; V67-L100 HydrophobicContact CG1-CD1 4.42Å; V67-L100 HydrophobicContact CG1-CD2 4.18Å; V67-L100 HydrophobicContact CG2-CD2 4.22Å; V67-T102 HydrophobicContact CG2-CG2 4.17Å |
| 68 | K | 88.8 | Confident | 86 | Confident | 8 Ų | 8 | 32.3 Ų | 32.3 | 4% | 0.035 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 134.8 | -179.9 | -59.2 | 176.5 | 178.7 | 172.4 | 0 | 109.4 | A35 E43 V60 F77 Q80 | A35-K68 HydrophobicContact CB-CD 3.88Å; E43-K68 IonicContact OE2-NZ 3.29Å; E43-K68 PolarHBondContact OE2-NZ 2.94Å; V60-K68 HydrophobicContact CB-CB 4.27Å; V60-K68 PolarHBondContact N-O 2.82Å; V60-K68 PolarHBondContact O-N 2.91Å; K68-F77 HydrophobicContact CB-CD1 3.92Å; K68-F77 HydrophobicContact CB-CE1 4.05Å; K68-Q80 HydrophobicContact CG-CB 4.02Å |
| 69 | H | 88.8 | Confident | 85.6 | Confident | 31 Ų | 31 | 34 Ų | 34 | 14% | 0.144 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.6 | -179.5 | -68.7 | -144.3 | 0 | 0 | 0 | 108.2 | L59 F77 Q78 G79 D114 | L59-H69 HydrophobicContact CD2-CB 4.39Å; L59-H69 VanDerWaalsContact CD2-CD2 3.49Å; L59-H69 WeakPolarHBondContact CD2-CD2 2.93Å; H69-F77 CarbonylContact O-C 3.48Å; H69-F77 VanDerWaalsContact O-CA 3.32Å; H69-F77 WeakPolarHBondContact O-CA 3.42Å; H69-Q78 PolarHBondContact O-N 3.42Å; H69-G79 PolarHBondContact N-O 2.91Å; H69-D114 IonicContact CE1-OD1 3.61Å |
| 70 | F | 88.6 | Confident | 85.4 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.8 | -178.1 | 179.3 | -96.1 | 0 | 0 | 0 | 110.3 | W12 L20 F33 Q57 I58 V60 T72 F77 | W12-F70 HydrophobicContact CE3-CE1 4.29Å; W12-F70 AromaticContact CH2-CE1 3.44Å; W12-F70 HydrophobicContact CH2-CE1 3.44Å; W12-F70 VanDerWaalsContact CH2-CE1 3.44Å; W12-F70 AromaticContact CH2-CZ 3.95Å; W12-F70 HydrophobicContact CH2-CZ 3.95Å; W12-F70 HydrophobicContact CZ2-CE1 4.24Å; W12-F70 HydrophobicContact CZ3-CD1 4.39Å; W12-F70 AromaticContact CZ3-CE1 3.47Å; W12-F70 HydrophobicContact CZ3-CE1 3.47Å; W12-F70 VanDerWaalsContact CZ3-CE1 3.47Å; W12-F70 AromaticContact CZ3-CZ 3.86Å; W12-F70 HydrophobicContact CZ3-CZ 3.86Å; L20-F70 HydrophobicContact CD2-CB 4.16Å; L20-F70 HydrophobicContact CD2-CD1 3.64Å; L20-F70 HydrophobicContact CD2-CD2 4.07Å; L20-F70 HydrophobicContact CD2-CE1 4.01Å; L20-F70 HydrophobicContact CD2-CE2 4.4Å; L20-F70 HydrophobicContact CD2-CG 3.66Å; L20-F70 HydrophobicContact CD2-CZ 4.37Å; F33-F70 HydrophobicContact CB-CE2 3.74Å; F33-F70 HydrophobicContact CB-CZ 4.11Å; F33-F70 AromaticContact CD1-CE2 3.73Å; F33-F70 HydrophobicContact CD1-CE2 3.73Å; F33-F70 AromaticContact CD1-CZ 3.64Å; F33-F70 HydrophobicContact CD1-CZ 3.64Å; F33-F70 HydrophobicContact CD2-CZ 4.07Å; F33-F70 HydrophobicContact CE1-CE2 4.48Å; F33-F70 HydrophobicContact CE1-CZ 4.01Å; F33-F70 HydrophobicContact CE2-CZ 4.4Å; F33-F70 AromaticContact CG-CE2 3.76Å; F33-F70 HydrophobicContact CG-CE2 3.76Å; F33-F70 AromaticContact CG-CZ 3.66Å; F33-F70 HydrophobicContact CG-CZ 3.66Å; F33-F70 HydrophobicContact CZ-CZ 4.37Å; Q57-F70 CarbonylContact C-O 3.52Å; Q57-F70 WeakPolarHBondContact CA-O 3.33Å; I58-F70 HydrophobicContact CB-CB 4.37Å; I58-F70 HydrophobicContact CB-CD1 4.36Å; I58-F70 HydrophobicContact CD1-CD1 4.24Å; I58-F70 PolarHBondContact N-O 2.99Å; I58-F70 PolarHBondContact O-N 3.37Å; V60-F70 HydrophobicContact CG2-CB 4.45Å; F70-T72 HydrophobicContact CD1-CG2 4.37Å; F70-T72 HydrophobicContact CE1-CG2 4.32Å; F70-F77 HydrophobicContact CB-CD1 4Å; F70-F77 HydrophobicContact CB-CE1 3.93Å; F70-F77 HydrophobicContact CD2-CD1 4.05Å; F70-F77 AromaticContact CD2-CD2 3.85Å; F70-F77 HydrophobicContact CD2-CD2 3.85Å; F70-F77 AromaticContact CD2-CE1 3.97Å; F70-F77 HydrophobicContact CD2-CE1 3.97Å; F70-F77 AromaticContact CD2-CE2 3.73Å; F70-F77 HydrophobicContact CD2-CE2 3.73Å; F70-F77 HydrophobicContact CD2-CG 4.02Å; F70-F77 AromaticContact CD2-CZ 3.81Å; F70-F77 HydrophobicContact CD2-CZ 3.81Å; F70-F77 HydrophobicContact CE2-CD2 4.36Å; F70-F77 HydrophobicContact CE2-CE2 4.15Å; F70-F77 HydrophobicContact CG-CE1 4.34Å; F70-F77 HydrophobicContact CG-CZ 4.47Å |
| 71 | S | 86.9 | Confident | 85 | Confident | 4 Ų | 4 | 43 Ų | 43 | 3% | 0.028 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 124.2 | 173.9 | 170.6 | 0 | 0 | 0 | 0 | 109.8 | E73 D74 G75 I76 Q78 | S71-E73 VanDerWaalsContact C-N 3.3Å; S71-E73 PolarHBondContact OG-N 3.45Å; S71-D74 WeakPolarHBondContact CB-OD2 3.09Å; S71-D74 PolarHBondContact OG-N 3.14Å; S71-D74 PolarHBondContact OG-OD2 2.78Å; S71-G75 VanDerWaalsContact O-CA 3.3Å; S71-G75 WeakPolarHBondContact O-CA 3.45Å; S71-G75 PolarHBondContact O-N 3.4Å; S71-I76 PolarHBondContact N-O 2.81Å; S71-Q78 VanDerWaalsContact CB-NE2 3.28Å |
| 72 | T | 82.1 | Confident | 84.8 | Confident | 4 Ų | 4 | 47.7 Ų | 47.7 | 3% | 0.025 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -19.6 | 175.9 | 60.7 | 0 | 0 | 0 | 0 | 113.1 | A6 R7 W12 W50 E55 T56 I58 F70 | A6-T72 CarbonylContact C-O 3.33Å; A6-T72 VanDerWaalsContact CB-O 3.25Å; A6-T72 WeakPolarHBondContact CB-O 3.35Å; R7-T72 PolarHBondContact N-O 2.95Å; W12-T72 HydrophobicContact CH2-CG2 4.47Å; W12-T72 HydrophobicContact CZ2-CG2 3.77Å; W50-T72 HydrophobicContact CZ3-CG2 4.05Å; E55-T72 PolarHBondContact O-OG1 2.95Å; T56-T72 WeakPolarHBondContact CA-OG1 3.36Å; T56-T72 PolarHBondContact O-N 3.29Å; T56-T72 PolarHBondContact O-OG1 3.46Å; I58-T72 HydrophobicContact CD1-CG2 3.55Å; I58-T72 HydrophobicContact CG1-CG2 3.77Å; F70-T72 HydrophobicContact CD1-CG2 4.37Å; F70-T72 HydrophobicContact CE1-CG2 4.32Å |
| 73 | E | 79.8 | Confident | 84.3 | Confident | 108 Ų | 108 | 47.7 Ų | 47.7 | 51% | 0.505 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -44.3 | 178.9 | -59.5 | -169.8 | 160.8 | 0 | 0 | 110.8 | T56 S71 | T56-E73 WeakPolarHBondContact CG2-OE1 3.46Å; S71-E73 VanDerWaalsContact C-N 3.3Å; S71-E73 PolarHBondContact OG-N 3.45Å |
| 74 | D | 77.3 | Confident | 83.8 | Confident | 73 Ų | 73 | 48.7 Ų | 48.7 | 39% | 0.39 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -23.4 | -179.5 | -53.1 | -53.1 | 0 | 0 | 0 | 112.1 | A3 S71 I76 Q78 | A3-D74 VanDerWaalsContact CA-O 3.28Å; A3-D74 WeakPolarHBondContact CA-O 3.4Å; A3-D74 WeakPolarHBondContact CB-O 3.46Å; S71-D74 WeakPolarHBondContact CB-OD2 3.09Å; S71-D74 PolarHBondContact OG-N 3.14Å; S71-D74 PolarHBondContact OG-OD2 2.78Å; D74-I76 VanDerWaalsContact C-N 3.25Å; D74-I76 HydrophobicContact CB-CB 4.38Å; D74-I76 HydrophobicContact CB-CD1 4.46Å; D74-I76 HydrophobicContact CB-CG1 4.49Å; D74-I76 PolarHBondContact O-N 3Å; D74-Q78 PolarHBondContact OD2-NE2 2.93Å |
| 75 | G | 80.1 | Confident | 82.8 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.2 | 25.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A6 F33 S71 | A6-G75 VanDerWaalsContact CB-CA 3.41Å; F33-G75 WeakPolarHBondContact CD1-O 3.39Å; S71-G75 VanDerWaalsContact O-CA 3.3Å; S71-G75 WeakPolarHBondContact O-CA 3.45Å; S71-G75 PolarHBondContact O-N 3.4Å |
| 76 | I | 83.5 | Confident | 82.1 | Confident | 110 Ų | 110 | 43.3 Ų | 43.3 | 56% | 0.564 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 148.6 | -174.2 | -60.3 | 166.7 | 0 | 0 | 0 | 109.7 | S71 D74 Q78 | S71-I76 PolarHBondContact N-O 2.81Å; D74-I76 VanDerWaalsContact C-N 3.25Å; D74-I76 HydrophobicContact CB-CB 4.38Å; D74-I76 HydrophobicContact CB-CD1 4.46Å; D74-I76 HydrophobicContact CB-CG1 4.49Å; D74-I76 PolarHBondContact O-N 3Å; I76-Q78 PolarHBondContact O-N 2.8Å |
| 77 | F | 84 | Confident | 81.8 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 16% | 0.162 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 113.2 | 169.2 | -71.2 | -88.5 | 0 | 0 | 0 | 109.9 | L20 F33 A35 V60 K68 H69 F70 | L20-F77 HydrophobicContact CB-CZ 4.27Å; L20-F77 HydrophobicContact CD2-CZ 4.4Å; F33-F77 HydrophobicContact CB-CE2 4.1Å; A35-F77 HydrophobicContact CB-CB 4.14Å; A35-F77 HydrophobicContact CB-CD1 3.93Å; A35-F77 HydrophobicContact CB-CD2 3.74Å; A35-F77 HydrophobicContact CB-CE1 4.24Å; A35-F77 HydrophobicContact CB-CE2 4.08Å; A35-F77 HydrophobicContact CB-CG 3.64Å; A35-F77 HydrophobicContact CB-CZ 4.31Å; A35-F77 VanDerWaalsContact N-CE2 3.34Å; V60-F77 HydrophobicContact CG2-CE1 4.28Å; K68-F77 HydrophobicContact CB-CD1 3.92Å; K68-F77 HydrophobicContact CB-CE1 4.05Å; H69-F77 CarbonylContact O-C 3.48Å; H69-F77 VanDerWaalsContact O-CA 3.32Å; H69-F77 WeakPolarHBondContact O-CA 3.42Å; F70-F77 HydrophobicContact CB-CD1 4Å; F70-F77 HydrophobicContact CB-CE1 3.93Å; F70-F77 HydrophobicContact CD2-CD1 4.05Å; F70-F77 AromaticContact CD2-CD2 3.85Å; F70-F77 HydrophobicContact CD2-CD2 3.85Å; F70-F77 AromaticContact CD2-CE1 3.97Å; F70-F77 HydrophobicContact CD2-CE1 3.97Å; F70-F77 AromaticContact CD2-CE2 3.73Å; F70-F77 HydrophobicContact CD2-CE2 3.73Å; F70-F77 HydrophobicContact CD2-CG 4.02Å; F70-F77 AromaticContact CD2-CZ 3.81Å; F70-F77 HydrophobicContact CD2-CZ 3.81Å; F70-F77 HydrophobicContact CE2-CD2 4.36Å; F70-F77 HydrophobicContact CE2-CE2 4.15Å; F70-F77 HydrophobicContact CG-CE1 4.34Å; F70-F77 HydrophobicContact CG-CZ 4.47Å |
| 78 | Q | 82.3 | Confident | 81.5 | Confident | 103 Ų | 103 | 52.2 Ų | 52.2 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | -26.8 | -176.9 | -70 | -177.4 | -22.5 | 0 | 0 | 112.3 | H69 S71 D74 I76 | H69-Q78 PolarHBondContact O-N 3.42Å; S71-Q78 VanDerWaalsContact CB-NE2 3.28Å; D74-Q78 PolarHBondContact OD2-NE2 2.93Å; I76-Q78 PolarHBondContact O-N 2.8Å |
| 79 | G | 81 | Confident | 81.5 | Confident | 36 Ų | 36 | 55.1 Ų | 55.1 | 37% | 0.371 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.3 | 172.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H69 | H69-G79 PolarHBondContact N-O 2.91Å |
| 80 | Q | 85.6 | Confident | 81.6 | Confident | 138 Ų | 138 | 53.9 Ų | 53.9 | 65% | 0.645 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 142.2 | 172.2 | 64.5 | -176.2 | -9.1 | 0 | 0 | 109.6 | V67 K68 | V67-Q80 WeakPolarHBondContact O-CA 3.36Å; K68-Q80 HydrophobicContact CG-CB 4.02Å |
| 81 | R | 82.1 | Confident | 81.7 | Confident | 51 Ų | 51 | 57 Ų | 57 | 19% | 0.192 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 129.6 | 174.6 | -172.8 | -179.1 | -170.7 | 159.9 | 10.9 | 109.3 | T66 V67 H113 | T66-R81 CarbonylContact C-O 3.59Å; T66-R81 VanDerWaalsContact CA-O 3.28Å; T66-R81 WeakPolarHBondContact CA-O 3.46Å; V67-R81 PolarHBondContact N-O 2.96Å; V67-R81 PolarHBondContact O-N 2.82Å; R81-H113 PolarHBondContact NH1-O 3.44Å; R81-H113 PolarHBondContact NH2-O 2.68Å |
| 82 | H | 84.1 | Confident | 81.7 | Confident | 99 Ų | 99 | 57 Ų | 57 | 46% | 0.458 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 119.8 | 169.3 | -168.5 | 62.1 | 0 | 0 | 0 | 109.2 | P84 | H82-P84 WeakPolarHBondContact O-CD 3.41Å |
| 83 | C | 80.4 | Confident | 82.1 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.014 | 31% | 0.307 | C | S | . | . | trans | -109.4 | 86.7 | 177.8 | -69 | 0 | 0 | 0 | 0 | 107.6 | R65 F90 W112 | R65-C83 PolarHBondContact O-N 2.97Å; C83-F90 HydrophobicContact CB-CZ 4.2Å; C83-W112 HydrophobicContact CB-CH2 4.37Å; C83-W112 HydrophobicContact CB-CZ2 3.61Å | ||
| 84 | P | 76.4 | Confident | 82.5 | Confident | 48 Ų | 48 | 52.5 Ų | 52.5 | 31% | 0.312 | 28% | 0.284 | S | S | . | . | trans | -60.9 | 152.6 | 172.5 | 27.5 | -33.3 | 0 | 0 | 0 | 108.7 | H82 R110 W112 | H82-P84 WeakPolarHBondContact O-CD 3.41Å; P84-R110 PolarHBondContact O-NH1 3.42Å; P84-W112 HydrophobicContact CG-CH2 4.23Å; P84-W112 WeakPolarHBondContact O-CH2 3.24Å; P84-W112 WeakPolarHBondContact O-CZ2 3.41Å | ||
| 85 | G | 63.8 | Low | 82.9 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | trans | 148.9 | 112.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | V104 R110 | G85-V104 WeakPolarHBondContact O-CG2 3.46Å; G85-R110 VanDerWaalsContact CA-CZ 3.48Å | ||
| 86 | G | 71.4 | Confident | 82.9 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 27% | 0.268 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 67.7 | -172.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | S106 | G86-S106 WeakPolarHBondContact CA-OG 3.19Š|
| 87 | E | 81.6 | Confident | 82.3 | Confident | 160 Ų | 160 | 52 Ų | 52 | 75% | 0.748 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -115 | 137.7 | -179.5 | -66.7 | -173.8 | 171.5 | 0 | 0 | 110.6 | V104 S106 | E87-V104 WeakPolarHBondContact O-CG1 3.36Å; E87-S106 PolarHBondContact N-OG 3.24Å; E87-S106 VanDerWaalsContact N-OG 3.16Å; E87-S106 VanDerWaalsContact O-CB 3.23Å; E87-S106 WeakPolarHBondContact O-CB 3.49Å; E87-S106 PolarHBondContact O-N 2.79Å; E87-S106 VanDerWaalsContact O-N 3.15Å; E87-S106 PolarHBondContact O-OG 2.77Å |
| 88 | G | 83.2 | Confident | 81.9 | Confident | 40 Ų | 40 | 51 Ų | 51 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | S | Bend | trans | 108.9 | -173.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 89 | I | 88.9 | Confident | 82.1 | Confident | 70 Ų | 70 | 47.8 Ų | 47.8 | 36% | 0.359 | 27% | 0.269 | S | S | . | . | trans | -85.4 | 162 | -177.6 | 61.5 | 174.6 | 0 | 0 | 0 | 111.7 | A63 R91 D105 | A63-I89 HydrophobicContact CB-CG2 3.84Å; I89-R91 PolarHBondContact O-N 2.95Å; I89-D105 PolarHBondContact O-N 3.22Å | ||
| 90 | F | 90.1 | Very high | 82.4 | Confident | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.022 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 132.1 | 169.8 | -64.2 | -63.3 | 0 | 0 | 0 | 111.1 | S46 C62 R65 V67 C83 T102 C103 V104 | S46-F90 WeakPolarHBondContact CB-O 3.25Å; S46-F90 PolarHBondContact OG-O 3.46Å; C62-F90 VanDerWaalsContact O-CD2 3.24Å; C62-F90 WeakPolarHBondContact O-CD2 3.36Å; C62-F90 WeakPolarHBondContact O-CE2 3.25Å; R65-F90 VanDerWaalsContact CA-CE2 3.44Å; R65-F90 HydrophobicContact CB-CE2 4.42Å; R65-F90 HydrophobicContact CB-CZ 4.12Å; V67-F90 HydrophobicContact CG2-CE2 4.14Å; V67-F90 HydrophobicContact CG2-CZ 4.2Å; C83-F90 HydrophobicContact CB-CZ 4.2Å; F90-T102 HydrophobicContact CE1-CG2 4.21Å; F90-C103 WeakPolarHBondContact CA-O 3.44Å; F90-V104 HydrophobicContact CD1-CG2 3.85Å; F90-V104 HydrophobicContact CE1-CG2 3.89Å |
| 91 | R | 90.8 | Very high | 82.6 | Confident | 65 Ų | 65 | 39.5 Ų | 39.5 | 25% | 0.245 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -11.2 | 180 | -64.2 | -64.9 | -158.7 | 129.6 | 3.7 | 112.8 | I89 C103 D105 V133 C134 R135 M136 | I89-R91 PolarHBondContact O-N 2.95Å; R91-C103 PolarHBondContact N-O 2.96Å; R91-D105 HydrophobicContact CG-CB 4.14Å; R91-D105 IonicContact CZ-OD2 3.43Å; R91-D105 IonicContact NE-OD2 3.01Å; R91-D105 PolarHBondContact NE-OD2 3.1Å; R91-D105 IonicContact NH2-OD2 3.24Å; R91-D105 PolarHBondContact NH2-OD2 2.85Å; R91-V133 HydrophobicContact CB-CG1 4.44Å; R91-V133 VanDerWaalsContact CG-O 3.31Å; R91-V133 WeakPolarHBondContact CG-O 3.25Å; R91-C134 WeakPolarHBondContact CD-O 3.46Å; R91-C134 PolarHBondContact NH1-O 3.19Å; R91-R135 WeakPolarHBondContact O-CA 3.25Å; R91-M136 PolarHBondContact O-N 2.93Å |
| 92 | G | 87.3 | Confident | 83 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 150.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | C103 M136 | G92-C103 PolarHBondContact O-N 2.9Å; G92-M136 WeakPolarHBondContact O-CE 3.39Å |
| 93 | L | 90.6 | Very high | 83.4 | Confident | 15 Ų | 15 | 32.6 Ų | 32.6 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 130.8 | -179.6 | -163.9 | 149.5 | 0 | 0 | 0 | 107.9 | A47 C49 L59 V67 L100 I101 | A47-L93 HydrophobicContact CB-CB 4Å; C49-L93 HydrophobicContact CB-CD2 3.61Å; C49-L93 WeakPolarHBondContact CB-O 3.35Å; C49-L93 PolarHBondContact SG-O 3.23Å; C49-L93 VanDerWaalsContact SG-O 3.39Å; L59-L93 HydrophobicContact CB-CD2 3.47Å; L59-L93 VanDerWaalsContact CB-CD2 3.47Å; L59-L93 HydrophobicContact CD1-CD2 3.61Å; L59-L93 HydrophobicContact CG-CD2 4.24Å; V67-L93 HydrophobicContact CB-CD1 4.44Å; V67-L93 HydrophobicContact CG1-CD1 3.91Å; V67-L93 HydrophobicContact CG2-CD1 3.72Å; L93-L100 HydrophobicContact CD2-CD1 4.02Å; L93-L100 HydrophobicContact CG-CD1 4.29Å; L93-I101 WeakPolarHBondContact CA-O 3.28Å |
| 94 | A | 88.1 | Confident | 84 | Confident | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 153 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | I101 Q138 | A94-I101 HydrophobicContact CB-CB 4.32Å; A94-I101 HydrophobicContact CB-CD1 4.31Å; A94-I101 PolarHBondContact N-O 2.86Å; A94-I101 PolarHBondContact O-N 2.86Å; A94-Q138 HydrophobicContact CB-CB 3.87Å |
| 95 | Q | 86.1 | Confident | 84.6 | Confident | 13 Ų | 13 | 32.4 Ų | 32.4 | 6% | 0.061 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 140.1 | 178.2 | -161.6 | -172.8 | -5.2 | 0 | 0 | 109.3 | T52 L59 T99 D114 | T52-Q95 HydrophobicContact CG2-CB 4.22Å; T52-Q95 HydrophobicContact CG2-CG 3.75Å; L59-Q95 HydrophobicContact CD1-CB 3.75Å; L59-Q95 HydrophobicContact CD1-CG 4.04Å; L59-Q95 VanDerWaalsContact CD1-OE1 3.23Å; Q95-T99 CarbonylContact C-O 3.43Å; Q95-T99 WeakPolarHBondContact CA-O 3.32Å; Q95-T99 WeakPolarHBondContact CG-O 3.4Å; Q95-D114 VanDerWaalsContact NE2-CG 3.31Å; Q95-D114 PolarHBondContact NE2-OD1 2.93Å; Q95-D114 PolarHBondContact NE2-OD2 3.13Å |
| 96 | T | 79.1 | Confident | 85.8 | Confident | 21 Ų | 21 | 33.9 Ų | 33.9 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 125.6 | -178.7 | -68.7 | 0 | 0 | 0 | 0 | 110 | G98 T99 Q138 P143 | T96-G98 PolarHBondContact O-N 3.04Å; T96-T99 PolarHBondContact N-O 3.47Å; T96-T99 WeakPolarHBondContact O-CA 3.39Å; T96-T99 PolarHBondContact O-N 2.74Å; T96-T99 PolarHBondContact O-OG1 2.88Å; T96-Q138 PolarHBondContact OG1-NE2 3.33Å; T96-Q138 PolarHBondContact OG1-OE1 2.89Å; T96-P143 HydrophobicContact CG2-CB 3.23Å; T96-P143 HydrophobicContact CG2-CG 4.2Å |
| 97 | D | 71 | Confident | 86.6 | Confident | 146 Ų | 146 | 32.8 Ų | 32.8 | 78% | 0.781 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 37.3 | 51.1 | 169.1 | -57.7 | -19 | 0 | 0 | 0 | 114.7 | T52 | T52-D97 VanDerWaalsContact CG2-N 3.27Š|
| 98 | G | 75.6 | Confident | 87 | Confident | 15 Ų | 15 | 26.5 Ų | 26.5 | 16% | 0.155 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 20.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | T96 H113 D114 | T96-G98 PolarHBondContact O-N 3.04Å; G98-H113 PolarHBondContact O-ND1 3.35Å; G98-D114 WeakPolarHBondContact O-CA 3.2Å; G98-D114 WeakPolarHBondContact O-CB 3.03Å; G98-D114 PolarHBondContact O-N 3.24Å |
| 99 | T | 86 | Confident | 87.3 | Confident | 36 Ų | 36 | 24.6 Ų | 24.6 | 22% | 0.221 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 141 | 168.7 | 64.3 | 0 | 0 | 0 | 0 | 111 | Q95 T96 V111 W112 L124 | Q95-T99 CarbonylContact C-O 3.43Å; Q95-T99 WeakPolarHBondContact CA-O 3.32Å; Q95-T99 WeakPolarHBondContact CG-O 3.4Å; T96-T99 PolarHBondContact N-O 3.47Å; T96-T99 WeakPolarHBondContact O-CA 3.39Å; T96-T99 PolarHBondContact O-N 2.74Å; T96-T99 PolarHBondContact O-OG1 2.88Å; T99-V111 HydrophobicContact CG2-CG1 4.46Å; T99-W112 CarbonylContact C-O 3.57Å; T99-W112 WeakPolarHBondContact CA-O 3.47Å; T99-L124 HydrophobicContact CG2-CD1 4.29Å |
| 100 | L | 88.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.7 | 176.8 | 170.7 | 69.4 | 0 | 0 | 0 | 108.8 | L59 V67 L93 T102 V111 W112 | L59-L100 HydrophobicContact CD1-CD1 3.56Å; V67-L100 HydrophobicContact CB-CD2 4.26Å; V67-L100 HydrophobicContact CG1-CD1 4.42Å; V67-L100 HydrophobicContact CG1-CD2 4.18Å; V67-L100 HydrophobicContact CG2-CD2 4.22Å; L93-L100 HydrophobicContact CD2-CD1 4.02Å; L93-L100 HydrophobicContact CG-CD1 4.29Å; L100-T102 HydrophobicContact CD1-CG2 4.49Å; L100-T102 HydrophobicContact CD2-CG2 4.22Å; L100-T102 HydrophobicContact CG-CG2 4.05Å; L100-V111 CarbonylContact O-C 3.56Å; L100-V111 WeakPolarHBondContact O-CA 3.37Å; L100-W112 HydrophobicContact CB-CB 4.19Å; L100-W112 PolarHBondContact N-O 2.85Å; L100-W112 VanDerWaalsContact O-CD1 3.32Å; L100-W112 PolarHBondContact O-N 2.96Å |
| 101 | I | 90.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 124.8 | 179.2 | -52.5 | 155.9 | 0 | 0 | 0 | 108.2 | L93 A94 L109 V111 M136 V146 L160 | L93-I101 WeakPolarHBondContact CA-O 3.28Å; A94-I101 HydrophobicContact CB-CB 4.32Å; A94-I101 HydrophobicContact CB-CD1 4.31Å; A94-I101 PolarHBondContact N-O 2.86Å; A94-I101 PolarHBondContact O-N 2.86Å; I101-L109 HydrophobicContact CG2-CD1 4.36Å; I101-L109 HydrophobicContact CG2-CD2 3.93Å; I101-L109 HydrophobicContact CG2-CG 4.16Å; I101-V111 HydrophobicContact CG1-CG1 4.4Å; I101-V111 HydrophobicContact CG1-CG2 4.32Å; I101-M136 HydrophobicContact CB-CE 4.5Å; I101-M136 HydrophobicContact CG2-CE 3.74Å; I101-V146 HydrophobicContact CD1-CG1 4.19Å; I101-V146 HydrophobicContact CG2-CG1 4.46Å; I101-L160 HydrophobicContact CD1-CD1 3.35Å; I101-L160 HydrophobicContact CG1-CD1 3.8Å; I101-L160 HydrophobicContact CG2-CD1 4.39Å |
| 102 | T | 90.9 | Very high | 87.1 | Confident | 4 Ų | 4 | 20.6 Ų | 20.6 | 3% | 0.025 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 140.9 | 179.9 | 59.1 | 0 | 0 | 0 | 0 | 110 | V67 F90 L100 L109 R110 W112 | V67-T102 HydrophobicContact CG2-CG2 4.17Å; F90-T102 HydrophobicContact CE1-CG2 4.21Å; L100-T102 HydrophobicContact CD1-CG2 4.49Å; L100-T102 HydrophobicContact CD2-CG2 4.22Å; L100-T102 HydrophobicContact CG-CG2 4.05Å; T102-L109 CarbonylContact O-C 3.55Å; T102-L109 WeakPolarHBondContact O-CA 3.31Å; T102-R110 PolarHBondContact N-O 2.99Å; T102-R110 PolarHBondContact O-N 3.16Å; T102-R110 PolarHBondContact OG1-O 2.89Å; T102-W112 PolarHBondContact OG1-NE1 2.93Å |
| 103 | C | 91.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 132.4 | 173.9 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | F90 R91 G92 L109 M136 | F90-C103 WeakPolarHBondContact CA-O 3.44Å; R91-C103 PolarHBondContact N-O 2.96Å; G92-C103 PolarHBondContact O-N 2.9Å; C103-L109 HydrophobicContact CB-CD1 4.46Å; C103-L109 HydrophobicContact CB-CG 4.49Å; C103-M136 HydrophobicContact CB-CB 3.66Å; C103-M136 HydrophobicContact CB-CE 3.41Å; C103-M136 VanDerWaalsContact CB-CE 3.41Å; C103-M136 HydrophobicContact CB-CG 3.94Å |
| 104 | V | 92.3 | Very high | 85.9 | Confident | 4 Ų | 4 | 24.6 Ų | 24.6 | 2% | 0.024 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 152.7 | -176.9 | -175.1 | 0 | 0 | 0 | 0 | 110.2 | G85 E87 F90 S106 G107 I108 | G85-V104 WeakPolarHBondContact O-CG2 3.46Å; E87-V104 WeakPolarHBondContact O-CG1 3.36Å; F90-V104 HydrophobicContact CD1-CG2 3.85Å; F90-V104 HydrophobicContact CE1-CG2 3.89Å; V104-S106 PolarHBondContact O-N 2.79Å; V104-G107 PolarHBondContact O-N 2.89Å; V104-I108 PolarHBondContact N-O 3.42Å; V104-I108 VanDerWaalsContact N-O 3.08Å |
| 105 | D | 90 | Very high | 84.8 | Confident | 43 Ų | 43 | 29.5 Ų | 29.5 | 23% | 0.23 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -37.5 | -179.9 | -158 | -21.7 | 0 | 0 | 0 | 113.6 | I89 R91 G107 G132 V133 | I89-D105 PolarHBondContact O-N 3.22Å; R91-D105 HydrophobicContact CG-CB 4.14Å; R91-D105 IonicContact CZ-OD2 3.43Å; R91-D105 IonicContact NE-OD2 3.01Å; R91-D105 PolarHBondContact NE-OD2 3.1Å; R91-D105 IonicContact NH2-OD2 3.24Å; R91-D105 PolarHBondContact NH2-OD2 2.85Å; D105-G107 PolarHBondContact O-N 3.46Å; D105-G132 PolarHBondContact O-N 2.94Å; D105-V133 PolarHBondContact O-N 3.16Å; D105-V133 VanDerWaalsContact O-N 3.14Å |
| 106 | S | 89.3 | Confident | 83.4 | Confident | 41 Ų | 41 | 35.2 Ų | 35.2 | 29% | 0.287 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -6.7 | 175 | 66.1 | 0 | 0 | 0 | 0 | 114.6 | G86 E87 V104 | G86-S106 WeakPolarHBondContact CA-OG 3.19Å; E87-S106 PolarHBondContact N-OG 3.24Å; E87-S106 VanDerWaalsContact N-OG 3.16Å; E87-S106 VanDerWaalsContact O-CB 3.23Å; E87-S106 WeakPolarHBondContact O-CB 3.49Å; E87-S106 PolarHBondContact O-N 2.79Å; E87-S106 VanDerWaalsContact O-N 3.15Å; E87-S106 PolarHBondContact O-OG 2.77Å; V104-S106 PolarHBondContact O-N 2.79Å |
| 107 | G | 87.4 | Confident | 82.2 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | S | Bend | trans | 88.2 | 21.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V104 D105 V129 G130 | V104-G107 PolarHBondContact O-N 2.89Å; D105-G107 PolarHBondContact O-N 3.46Å; G107-V129 PolarHBondContact O-N 3.14Å; G107-G130 WeakPolarHBondContact CA-O 3.42Å |
| 108 | I | 90.8 | Very high | 80.9 | Confident | 29 Ų | 29 | 43.9 Ų | 43.9 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 122.8 | 173.1 | -67.6 | 165.6 | 0 | 0 | 0 | 107.5 | V104 R110 E126 | V104-I108 PolarHBondContact N-O 3.42Å; V104-I108 VanDerWaalsContact N-O 3.08Å; I108-R110 HydrophobicContact CG2-CG 3.92Å; I108-E126 HydrophobicContact CG2-CG 4.02Å |
| 109 | L | 90.1 | Very high | 79.8 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 125.5 | 171.1 | -174.5 | 152.1 | 0 | 0 | 0 | 107.9 | I101 T102 C103 V111 E126 L127 V129 M136 V146 T148 L160 | I101-L109 HydrophobicContact CG2-CD1 4.36Å; I101-L109 HydrophobicContact CG2-CD2 3.93Å; I101-L109 HydrophobicContact CG2-CG 4.16Å; T102-L109 CarbonylContact O-C 3.55Å; T102-L109 WeakPolarHBondContact O-CA 3.31Å; C103-L109 HydrophobicContact CB-CD1 4.46Å; C103-L109 HydrophobicContact CB-CG 4.49Å; L109-V111 HydrophobicContact CD2-CG2 4.16Å; L109-E126 WeakPolarHBondContact O-CA 3.18Å; L109-L127 HydrophobicContact CB-CB 4.38Å; L109-L127 HydrophobicContact CD2-CD1 4.43Å; L109-L127 PolarHBondContact N-O 3.07Å; L109-L127 PolarHBondContact O-N 3.34Å; L109-V129 HydrophobicContact CB-CG2 3.76Å; L109-V129 HydrophobicContact CD1-CG2 4.4Å; L109-M136 HydrophobicContact CD1-CE 4.43Å; L109-M136 HydrophobicContact CD1-CG 4.16Å; L109-V146 HydrophobicContact CD1-CG2 3.76Å; L109-T148 HydrophobicContact CD1-CG2 4.19Å; L109-L160 HydrophobicContact CD2-CD2 3.77Å |
| 110 | R | 89.8 | Confident | 78.2 | Confident | 43 Ų | 43 | 49.5 Ų | 49.5 | 16% | 0.162 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 134.7 | 178.4 | -76 | 178.3 | 179.2 | -166.8 | -1.8 | 110.5 | P84 G85 T102 I108 W112 P123 L125 E126 | P84-R110 PolarHBondContact O-NH1 3.42Å; G85-R110 VanDerWaalsContact CA-CZ 3.48Å; T102-R110 PolarHBondContact N-O 2.99Å; T102-R110 PolarHBondContact O-N 3.16Å; T102-R110 PolarHBondContact OG1-O 2.89Å; I108-R110 HydrophobicContact CG2-CG 3.92Å; R110-W112 HydrophobicContact CB-CZ2 3.92Å; R110-W112 HydrophobicContact CG-CZ2 4.36Å; R110-P123 HydrophobicContact CB-CB 4.06Å; R110-P123 HydrophobicContact CG-CB 3.96Å; R110-P123 HydrophobicContact CG-CG 4.31Å; R110-L125 VanDerWaalsContact CA-O 3.3Å; R110-L125 WeakPolarHBondContact CA-O 3.27Å; R110-E126 HydrophobicContact CG-CB 4.35Å; R110-E126 HydrophobicContact CG-CG 4.31Å; R110-E126 IonicContact CZ-OE2 3.65Å; R110-E126 IonicContact NE-OE2 2.8Å; R110-E126 PolarHBondContact NE-OE2 3.06Å; R110-E126 IonicContact NH2-OE2 2.81Å; R110-E126 PolarHBondContact NH2-OE2 3.29Å |
| 111 | V | 88.9 | Confident | 76.9 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 7% | 0.073 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 132.2 | 169.9 | -172.9 | 0 | 0 | 0 | 0 | 108 | T99 L100 I101 L109 P123 L124 L125 L160 | T99-V111 HydrophobicContact CG2-CG1 4.46Å; L100-V111 CarbonylContact O-C 3.56Å; L100-V111 WeakPolarHBondContact O-CA 3.37Å; I101-V111 HydrophobicContact CG1-CG1 4.4Å; I101-V111 HydrophobicContact CG1-CG2 4.32Å; L109-V111 HydrophobicContact CD2-CG2 4.16Å; V111-P123 CarbonylContact O-C 3.58Å; V111-P123 WeakPolarHBondContact O-CA 3.49Å; V111-L124 PolarHBondContact O-N 2.81Å; V111-L125 HydrophobicContact CB-CB 4.12Å; V111-L125 HydrophobicContact CG2-CB 4.13Å; V111-L125 HydrophobicContact CG2-CD2 4.3Å; V111-L125 PolarHBondContact N-O 2.77Å; V111-L160 HydrophobicContact CG2-CD1 4.11Å; V111-L160 HydrophobicContact CG2-CD2 3.83Å; V111-L160 HydrophobicContact CG2-CG 4.43Å |
| 112 | W | 86.6 | Confident | 75.8 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 147.4 | -176 | -52.5 | 91.9 | 0 | 0 | 0 | 109.6 | C83 P84 T99 L100 T102 R110 S121 P123 | C83-W112 HydrophobicContact CB-CH2 4.37Å; C83-W112 HydrophobicContact CB-CZ2 3.61Å; P84-W112 HydrophobicContact CG-CH2 4.23Å; P84-W112 WeakPolarHBondContact O-CH2 3.24Å; P84-W112 WeakPolarHBondContact O-CZ2 3.41Å; T99-W112 CarbonylContact C-O 3.57Å; T99-W112 WeakPolarHBondContact CA-O 3.47Å; L100-W112 HydrophobicContact CB-CB 4.19Å; L100-W112 PolarHBondContact N-O 2.85Å; L100-W112 VanDerWaalsContact O-CD1 3.32Å; L100-W112 PolarHBondContact O-N 2.96Å; T102-W112 PolarHBondContact OG1-NE1 2.93Å; R110-W112 HydrophobicContact CB-CZ2 3.92Å; R110-W112 HydrophobicContact CG-CZ2 4.36Å; W112-S121 WeakPolarHBondContact CZ3-O 3.17Å; W112-P123 HydrophobicContact CD2-CB 4.45Å; W112-P123 HydrophobicContact CE3-CB 4.19Å; W112-P123 HydrophobicContact CH2-CB 4.31Å; W112-P123 HydrophobicContact CZ3-CB 4.11Å |
| 113 | H | 82.1 | Confident | 75.2 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 32% | 0.324 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 130.4 | 169.8 | -157.8 | 57.1 | 0 | 0 | 0 | 110 | R81 G98 N115 L124 | R81-H113 PolarHBondContact NH1-O 3.44Å; R81-H113 PolarHBondContact NH2-O 2.68Å; G98-H113 PolarHBondContact O-ND1 3.35Å; H113-N115 VanDerWaalsContact C-N 3.31Å; H113-N115 PolarHBondContact NE2-ND2 2.93Å; H113-N115 VanDerWaalsContact NE2-ND2 3.12Å; H113-N115 PolarHBondContact O-N 3.04Å; H113-L124 HydrophobicContact CB-CD1 3.97Å; H113-L124 HydrophobicContact CB-CG 4.34Å |
| 114 | D | 69.3 | Low | 74.7 | Confident | 32 Ų | 32 | 65.4 Ų | 65.4 | 17% | 0.171 | 36% | 0.357 | C | S | . | . | trans | -81.3 | -4.5 | -173.3 | -167.5 | 41.1 | 0 | 0 | 0 | 113.6 | H69 Q95 G98 D116 | H69-D114 IonicContact CE1-OD1 3.61Å; Q95-D114 VanDerWaalsContact NE2-CG 3.31Å; Q95-D114 PolarHBondContact NE2-OD1 2.93Å; Q95-D114 PolarHBondContact NE2-OD2 3.13Å; G98-D114 WeakPolarHBondContact O-CA 3.2Å; G98-D114 WeakPolarHBondContact O-CB 3.03Å; G98-D114 PolarHBondContact O-N 3.24Å; D114-D116 PolarHBondContact O-N 3.02Å | ||
| 115 | N | 64.8 | Low | 74.3 | Confident | 107 Ų | 107 | 67.2 Ų | 67.2 | 57% | 0.572 | 37% | 0.366 | S | S | * | . | trans | -68.7 | 130.8 | -178.6 | -78.2 | -14.9 | 0 | 0 | 0 | 113 | H113 | H113-N115 VanDerWaalsContact C-N 3.31Å; H113-N115 PolarHBondContact NE2-ND2 2.93Å; H113-N115 VanDerWaalsContact NE2-ND2 3.12Å; H113-N115 PolarHBondContact O-N 3.04Å | ||
| 116 | D | 56.8 | Low | 74.2 | Confident | 133 Ų | 133 | 68.2 Ų | 68.2 | 71% | 0.711 | 37% | 0.369 | S | S | * | . | trans | -55.1 | 131.6 | -177.3 | -101.6 | -38.3 | 0 | 0 | 0 | 114 | D114 N118 | D114-D116 PolarHBondContact O-N 3.02Å; D116-N118 PolarHBondContact O-N 3.22Å | ||
| 117 | K | 53.8 | Low | 74.1 | Confident | 187 Ų | 187 | 66.5 Ų | 66.5 | 81% | 0.813 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 74.9 | -11.8 | 146.3 | -65 | 179.4 | -178.4 | 173.6 | 0 | 121.3 | ||
| 118 | N | 45.4 | Very low | 74.2 | Confident | 162 Ų | 162 | 75.7 Ų | 75.7 | 87% | 0.866 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -151.1 | 15.9 | -177.5 | -133.3 | 21.1 | 0 | 0 | 0 | 118.2 | D116 | D116-N118 PolarHBondContact O-N 3.22Š|
| 119 | T | 51.3 | Low | 73.9 | Confident | 98 Ų | 98 | 74.3 Ų | 74.3 | 60% | 0.601 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -111.2 | 135.8 | 175.1 | -45 | 0 | 0 | 0 | 0 | 108.9 | ||
| 120 | S | 53.3 | Low | 73.7 | Confident | 71 Ų | 71 | 75.4 Ų | 75.4 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | trans | -30.8 | 141 | -170.4 | 42.7 | 0 | 0 | 0 | 0 | 115.2 | D122 | S120-D122 WeakPolarHBondContact CB-OD2 3.44Å; S120-D122 PolarHBondContact O-N 3.17Å | ||
| 121 | S | 59.7 | Low | 73.7 | Confident | 87 Ų | 87 | 78.2 Ų | 78.2 | 61% | 0.608 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -64.1 | 19.6 | 168.9 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | W112 | W112-S121 WeakPolarHBondContact CZ3-O 3.17Š|
| 122 | D | 67.7 | Low | 73.6 | Confident | 104 Ų | 104 | 78.7 Ų | 78.7 | 56% | 0.556 | 43% | 0.426 | S | S | * | . | trans | -97.5 | 130.4 | -174.8 | -61.5 | -30.5 | 0 | 0 | 0 | 108.4 | S120 | S120-D122 WeakPolarHBondContact CB-OD2 3.44Å; S120-D122 PolarHBondContact O-N 3.17Å | ||
| 123 | P | 78.7 | Confident | 73.9 | Confident | 38 Ų | 38 | 78.6 Ų | 78.6 | 25% | 0.247 | 43% | 0.426 | C | S | . | . | trans | -67.1 | 142 | 175.8 | 29.6 | -33.9 | 0 | 0 | 0 | 109.8 | R110 V111 W112 L125 | R110-P123 HydrophobicContact CB-CB 4.06Å; R110-P123 HydrophobicContact CG-CB 3.96Å; R110-P123 HydrophobicContact CG-CG 4.31Å; V111-P123 CarbonylContact O-C 3.58Å; V111-P123 WeakPolarHBondContact O-CA 3.49Å; W112-P123 HydrophobicContact CD2-CB 4.45Å; W112-P123 HydrophobicContact CE3-CB 4.19Å; W112-P123 HydrophobicContact CH2-CB 4.31Å; W112-P123 HydrophobicContact CZ3-CB 4.11Å; P123-L125 PolarHBondContact O-N 3.31Å | ||
| 124 | L | 81.1 | Confident | 74.4 | Confident | 109 Ų | 109 | 75.8 Ų | 75.8 | 57% | 0.571 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -64.6 | -35.6 | 172.3 | -68.6 | 173.4 | 0 | 0 | 0 | 111.2 | T99 V111 H113 | T99-L124 HydrophobicContact CG2-CD1 4.29Å; V111-L124 PolarHBondContact O-N 2.81Å; H113-L124 HydrophobicContact CB-CD1 3.97Å; H113-L124 HydrophobicContact CB-CG 4.34Å |
| 125 | L | 82.9 | Confident | 75.5 | Confident | 43 Ų | 43 | 77 Ų | 77 | 23% | 0.225 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 136 | -178.9 | -177.7 | 65.9 | 0 | 0 | 0 | 109.3 | R110 V111 P123 L127 L160 | R110-L125 VanDerWaalsContact CA-O 3.3Å; R110-L125 WeakPolarHBondContact CA-O 3.27Å; V111-L125 HydrophobicContact CB-CB 4.12Å; V111-L125 HydrophobicContact CG2-CB 4.13Å; V111-L125 HydrophobicContact CG2-CD2 4.3Å; V111-L125 PolarHBondContact N-O 2.77Å; P123-L125 PolarHBondContact O-N 3.31Å; L125-L127 HydrophobicContact CD1-CD2 4.02Å; L125-L127 HydrophobicContact CD1-CG 4.37Å; L125-L127 HydrophobicContact CD2-CD1 3.86Å; L125-L127 HydrophobicContact CD2-CD2 4.16Å; L125-L127 HydrophobicContact CD2-CG 3.83Å; L125-L127 HydrophobicContact CG-CD1 4.48Å; L125-L127 HydrophobicContact CG-CD2 4.12Å; L125-L127 HydrophobicContact CG-CG 3.9Å; L125-L160 HydrophobicContact CD2-CD2 4.27Å |
| 126 | E | 88.1 | Confident | 76.9 | Confident | 63 Ų | 63 | 72 Ų | 72 | 29% | 0.294 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 117.1 | 168.5 | 178.7 | 172.4 | 129.6 | 0 | 0 | 109.2 | I108 L109 R110 | I108-E126 HydrophobicContact CG2-CG 4.02Å; L109-E126 WeakPolarHBondContact O-CA 3.18Å; R110-E126 HydrophobicContact CG-CB 4.35Å; R110-E126 HydrophobicContact CG-CG 4.31Å; R110-E126 IonicContact CZ-OE2 3.65Å; R110-E126 IonicContact NE-OE2 2.8Å; R110-E126 PolarHBondContact NE-OE2 3.06Å; R110-E126 IonicContact NH2-OE2 2.81Å; R110-E126 PolarHBondContact NH2-OE2 3.29Å |
| 127 | L | 87.3 | Confident | 78.6 | Confident | 5 Ų | 5 | 68.8 Ų | 68.8 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.3 | 175.7 | -63.8 | 179.2 | 0 | 0 | 0 | 110.7 | L109 L125 V129 W158 L160 E164 | L109-L127 HydrophobicContact CB-CB 4.38Å; L109-L127 HydrophobicContact CD2-CD1 4.43Å; L109-L127 PolarHBondContact N-O 3.07Å; L109-L127 PolarHBondContact O-N 3.34Å; L125-L127 HydrophobicContact CD1-CD2 4.02Å; L125-L127 HydrophobicContact CD1-CG 4.37Å; L125-L127 HydrophobicContact CD2-CD1 3.86Å; L125-L127 HydrophobicContact CD2-CD2 4.16Å; L125-L127 HydrophobicContact CD2-CG 3.83Å; L125-L127 HydrophobicContact CG-CD1 4.48Å; L125-L127 HydrophobicContact CG-CD2 4.12Å; L125-L127 HydrophobicContact CG-CG 3.9Å; L127-V129 PolarHBondContact O-N 3.34Å; L127-W158 HydrophobicContact CD1-CB 4.39Å; L127-W158 HydrophobicContact CD1-CE3 4.25Å; L127-L160 HydrophobicContact CD1-CD2 4.03Å; L127-E164 HydrophobicContact CD2-CB 4.24Å; L127-E164 HydrophobicContact CD2-CG 4.26Å |
| 128 | R | 89.2 | Confident | 80.4 | Confident | 196 Ų | 196 | 61.8 Ų | 61.8 | 74% | 0.74 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 94.3 | 175.3 | -67 | -174.9 | 177.9 | -144.9 | -0.6 | 110.3 | G130 | R128-G130 VanDerWaalsContact C-N 3.3Å; R128-G130 PolarHBondContact O-N 3Å |
| 129 | V | 85.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | trans | -78.7 | -16.2 | -176.3 | -179.9 | 0 | 0 | 0 | 0 | 112.7 | G107 L109 L127 V133 T148 N153 K156 W158 | G107-V129 PolarHBondContact O-N 3.14Å; L109-V129 HydrophobicContact CB-CG2 3.76Å; L109-V129 HydrophobicContact CD1-CG2 4.4Å; L127-V129 PolarHBondContact O-N 3.34Å; V129-V133 HydrophobicContact CG1-CG2 4.12Å; V129-T148 VanDerWaalsContact CG1-CB 3.44Å; V129-T148 HydrophobicContact CG1-CG2 3.79Å; V129-T148 WeakPolarHBondContact CG1-OG1 3.39Å; V129-T148 HydrophobicContact CG2-CG2 4.32Å; V129-N153 PolarHBondContact O-ND2 3.01Å; V129-K156 PolarHBondContact O-NZ 2.72Å; V129-W158 HydrophobicContact CB-CZ2 4.09Å; V129-W158 HydrophobicContact CG1-CZ2 3.99Å; V129-W158 HydrophobicContact CG2-CZ2 4.03Å | ||
| 130 | G | 85 | Confident | 84.2 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 23% | 0.227 | 30% | 0.304 | C | S | . | . | trans | 98.4 | 150.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G107 R128 V133 N153 | G107-G130 WeakPolarHBondContact CA-O 3.42Å; R128-G130 VanDerWaalsContact C-N 3.3Å; R128-G130 PolarHBondContact O-N 3Å; G130-V133 WeakPolarHBondContact O-CG2 3.07Å; G130-N153 PolarHBondContact O-ND2 3.2Å; G130-N153 VanDerWaalsContact O-ND2 3.13Å | ||
| 131 | P | 89.1 | Confident | 85.7 | Confident | 102 Ų | 102 | 54.8 Ų | 54.8 | 66% | 0.662 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -67.6 | 158.2 | -167.9 | 28.9 | -36.3 | 0 | 0 | 0 | 113.2 | ||
| 132 | G | 88.3 | Confident | 87 | Confident | 22 Ų | 22 | 53.9 Ų | 53.9 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | trans | 78.4 | 31 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114 | D105 C134 G150 K151 | D105-G132 PolarHBondContact O-N 2.94Å; G132-C134 PolarHBondContact O-N 3.41Å; G132-G150 CarbonylContact O-C 3.58Å; G132-G150 WeakPolarHBondContact O-CA 3.35Å; G132-K151 PolarHBondContact O-N 3.36Å | ||
| 133 | V | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 124.4 | 177.2 | 178.3 | 0 | 0 | 0 | 0 | 108.7 | R91 D105 V129 G130 | R91-V133 HydrophobicContact CB-CG1 4.44Å; R91-V133 VanDerWaalsContact CG-O 3.31Å; R91-V133 WeakPolarHBondContact CG-O 3.25Å; D105-V133 PolarHBondContact O-N 3.16Å; D105-V133 VanDerWaalsContact O-N 3.14Å; V129-V133 HydrophobicContact CG1-CG2 4.12Å; G130-V133 WeakPolarHBondContact O-CG2 3.07Å |
| 134 | C | 92.1 | Very high | 88.2 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 7% | 0.074 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -32.1 | 177.5 | -66.9 | 0 | 0 | 0 | 0 | 111.9 | R91 G132 G149 D186 | R91-C134 WeakPolarHBondContact CD-O 3.46Å; R91-C134 PolarHBondContact NH1-O 3.19Å; G132-C134 PolarHBondContact O-N 3.41Å; C134-G149 PolarHBondContact N-O 2.89Å; C134-D186 VanDerWaalsContact CB-O 3.25Å; C134-D186 WeakPolarHBondContact CB-O 3.25Å |
| 135 | R | 92.8 | Very high | 88.7 | Confident | 56 Ų | 56 | 48 Ų | 48 | 21% | 0.211 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 144.8 | 177.7 | -158 | 80.5 | -176.6 | -173.2 | 1.5 | 112.3 | R91 R137 G149 Q187 D188 | R91-R135 WeakPolarHBondContact O-CA 3.25Å; R135-R137 HydrophobicContact CG-CG 4.46Å; R135-R137 VanDerWaalsContact NH2-NH2 3.11Å; R135-G149 PolarHBondContact N-O 2.83Å; R135-G149 PolarHBondContact O-N 3.5Å; R135-Q187 WeakPolarHBondContact CB-O 3.36Å; R135-D188 WeakPolarHBondContact CG-OD1 3.45Å; R135-D188 IonicContact NE-OD1 3.47Å |
| 136 | M | 94.1 | Very high | 89.1 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.02 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 139.1 | 162.4 | 174.7 | -88.2 | -81.1 | 0 | 0 | 109.7 | R91 G92 I101 C103 L109 A147 T148 | R91-M136 PolarHBondContact O-N 2.93Å; G92-M136 WeakPolarHBondContact O-CE 3.39Å; I101-M136 HydrophobicContact CB-CE 4.5Å; I101-M136 HydrophobicContact CG2-CE 3.74Å; C103-M136 HydrophobicContact CB-CB 3.66Å; C103-M136 HydrophobicContact CB-CE 3.41Å; C103-M136 VanDerWaalsContact CB-CE 3.41Å; C103-M136 HydrophobicContact CB-CG 3.94Å; L109-M136 HydrophobicContact CD1-CE 4.43Å; L109-M136 HydrophobicContact CD1-CG 4.16Å; M136-A147 VanDerWaalsContact CA-O 3.31Å; M136-A147 WeakPolarHBondContact CA-O 3.31Å; M136-T148 HydrophobicContact CB-CG2 4.09Å; M136-T148 HydrophobicContact CG-CG2 3.82Å |
| 137 | R | 93.2 | Very high | 89.4 | Confident | 65 Ų | 65 | 43 Ų | 43 | 25% | 0.245 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149.8 | 173.5 | -69.9 | -60.6 | -170.4 | 161.6 | 3.4 | 109.7 | R135 V146 A147 D188 I189 F191 | R135-R137 HydrophobicContact CG-CG 4.46Å; R135-R137 VanDerWaalsContact NH2-NH2 3.11Å; R137-V146 CarbonylContact O-C 3.52Å; R137-V146 WeakPolarHBondContact O-CA 3.24Å; R137-A147 PolarHBondContact N-O 2.93Å; R137-A147 PolarHBondContact O-N 2.83Å; R137-D188 IonicContact NE-OD1 2.99Å; R137-D188 IonicContact NH2-OD1 2.84Å; R137-I189 WeakPolarHBondContact CG-O 3.34Å; R137-F191 HydrophobicContact CB-CD2 4.3Å; R137-F191 HydrophobicContact CB-CE2 4.15Å; R137-F191 WeakPolarHBondContact O-CE2 3.42Å |
| 138 | Q | 91.7 | Very high | 89.8 | Confident | 39 Ų | 39 | 42.8 Ų | 42.8 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 149.1 | 170 | -178.6 | 175.8 | 47.2 | 0 | 0 | 110.1 | A94 T96 P140 P143 V146 F191 | A94-Q138 HydrophobicContact CB-CB 3.87Å; T96-Q138 PolarHBondContact OG1-NE2 3.33Å; T96-Q138 PolarHBondContact OG1-OE1 2.89Å; Q138-P140 WeakPolarHBondContact O-CD 3.41Å; Q138-P143 PolarHBondContact NE2-O 3.02Å; Q138-V146 HydrophobicContact CB-CG1 4.33Å; Q138-V146 HydrophobicContact CG-CG1 4.43Å; Q138-F191 VanDerWaalsContact C-CE2 3.44Å; Q138-F191 WeakPolarHBondContact O-CD2 3.49Å |
| 139 | D | 90.3 | Very high | 90 | Very high | 13 Ų | 13 | 33.4 Ų | 33.4 | 7% | 0.07 | 20% | 0.199 | C | C | . | . | trans | -73.2 | 121.6 | 170.1 | -174.6 | 0.5 | 0 | 0 | 0 | 109.9 | A141 H142 V145 F191 | D139-A141 PolarHBondContact O-N 2.63Å; D139-A141 PolarHBondContact OD1-N 2.78Å; D139-H142 HydrophobicContact CB-CB 4.41Å; D139-H142 CarbonylContact O-C 3.59Å; D139-H142 PolarHBondContact O-N 3.35Å; D139-H142 IonicContact OD2-CE1 3.34Å; D139-H142 IonicContact OD2-CG 2.87Å; D139-H142 IonicContact OD2-ND1 2.64Å; D139-H142 PolarHBondContact OD2-ND1 3.46Å; D139-V145 HydrophobicContact CB-CB 4.15Å; D139-V145 HydrophobicContact CB-CG1 4.49Å; D139-V145 PolarHBondContact N-O 3.2Å; D139-F191 HydrophobicContact CB-CD1 3.72Å; D139-F191 HydrophobicContact CB-CD2 4.22Å; D139-F191 HydrophobicContact CB-CE1 3.65Å; D139-F191 HydrophobicContact CB-CE2 4.17Å; D139-F191 HydrophobicContact CB-CG 3.99Å; D139-F191 HydrophobicContact CB-CZ 3.87Å | ||
| 140 | P | 84.6 | Confident | 90.3 | Very high | 108 Ų | 108 | 33.4 Ų | 33.4 | 70% | 0.701 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -61.7 | -26 | 175 | -22.6 | 34.3 | 0 | 0 | 0 | 114.1 | Q138 | Q138-P140 WeakPolarHBondContact O-CD 3.41Š|
| 141 | A | 86.2 | Confident | 90.7 | Very high | 64 Ų | 64 | 38 Ų | 38 | 53% | 0.529 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -85.1 | -33 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | D139 | D139-A141 PolarHBondContact O-N 2.63Å; D139-A141 PolarHBondContact OD1-N 2.78Å |
| 142 | H | 86.8 | Confident | 90.7 | Very high | 68 Ų | 68 | 37.6 Ų | 37.6 | 32% | 0.315 | 20% | 0.202 | S | C | . | . | trans | -128.7 | 93.2 | -177.1 | -52.2 | 98.8 | 0 | 0 | 0 | 109.6 | D139 H144 V145 | D139-H142 HydrophobicContact CB-CB 4.41Å; D139-H142 CarbonylContact O-C 3.59Å; D139-H142 PolarHBondContact O-N 3.35Å; D139-H142 IonicContact OD2-CE1 3.34Å; D139-H142 IonicContact OD2-CG 2.87Å; D139-H142 IonicContact OD2-ND1 2.64Å; D139-H142 PolarHBondContact OD2-ND1 3.46Å; H142-H144 PolarHBondContact O-N 2.89Å; H142-V145 HydrophobicContact CB-CB 4.22Å; H142-V145 HydrophobicContact CB-CG2 3.83Å; H142-V145 PolarHBondContact O-N 3.17Å | ||
| 143 | P | 84.9 | Confident | 90.8 | Very high | 48 Ų | 48 | 37.1 Ų | 37.1 | 31% | 0.312 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.7 | -173.5 | -26.6 | 36.1 | 0 | 0 | 0 | 114.8 | T96 Q138 V145 | T96-P143 HydrophobicContact CG2-CB 3.23Å; T96-P143 HydrophobicContact CG2-CG 4.2Å; Q138-P143 PolarHBondContact NE2-O 3.02Å; P143-V145 VanDerWaalsContact C-N 3.26Å; P143-V145 PolarHBondContact O-N 2.84Å |
| 144 | H | 86.8 | Confident | 90.8 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 27% | 0.269 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -12.4 | 174.2 | 52.6 | -81.9 | 0 | 0 | 0 | 113.1 | H142 D159 L160 Q161 | H142-H144 PolarHBondContact O-N 2.89Å; H144-D159 IonicContact CD2-OD1 3.1Å; H144-D159 PolarHBondContact CD2-OD1 2.55Å; H144-D159 VanDerWaalsContact CD2-OD1 3.29Å; H144-D159 IonicContact CG-OD1 3.48Å; H144-L160 VanDerWaalsContact O-CB 3.31Å; H144-L160 WeakPolarHBondContact O-CB 3.24Å; H144-L160 VanDerWaalsContact O-CG 3.24Å; H144-L160 WeakPolarHBondContact O-CG 3.35Å; H144-L160 PolarHBondContact O-N 3.11Å; H144-Q161 HydrophobicContact CB-CG 3.85Å |
| 145 | V | 90.8 | Very high | 90.8 | Very high | 22 Ų | 22 | 37.2 Ų | 37.2 | 13% | 0.133 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 130.5 | -177.2 | -177.3 | 0 | 0 | 0 | 0 | 111 | D139 H142 P143 W158 F191 | D139-V145 HydrophobicContact CB-CB 4.15Å; D139-V145 HydrophobicContact CB-CG1 4.49Å; D139-V145 PolarHBondContact N-O 3.2Å; H142-V145 HydrophobicContact CB-CB 4.22Å; H142-V145 HydrophobicContact CB-CG2 3.83Å; H142-V145 PolarHBondContact O-N 3.17Å; P143-V145 VanDerWaalsContact C-N 3.26Å; P143-V145 PolarHBondContact O-N 2.84Å; V145-W158 WeakPolarHBondContact CA-O 3.42Å; V145-F191 HydrophobicContact CG1-CE1 4.38Å; V145-F191 HydrophobicContact CG1-CZ 4.42Å |
| 146 | V | 92.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 137.3 | 175.9 | -62.1 | 0 | 0 | 0 | 0 | 111.5 | I101 L109 R137 Q138 M157 W158 L160 | I101-V146 HydrophobicContact CD1-CG1 4.19Å; I101-V146 HydrophobicContact CG2-CG1 4.46Å; L109-V146 HydrophobicContact CD1-CG2 3.76Å; R137-V146 CarbonylContact O-C 3.52Å; R137-V146 WeakPolarHBondContact O-CA 3.24Å; Q138-V146 HydrophobicContact CB-CG1 4.33Å; Q138-V146 HydrophobicContact CG-CG1 4.43Å; V146-M157 CarbonylContact O-C 3.59Å; V146-M157 WeakPolarHBondContact O-CA 3.35Å; V146-W158 HydrophobicContact CG2-CB 3.78Å; V146-W158 HydrophobicContact CG2-CG 4.42Å; V146-W158 PolarHBondContact N-O 2.92Å; V146-W158 PolarHBondContact O-N 2.96Å; V146-L160 HydrophobicContact CG1-CD1 3.81Å; V146-L160 HydrophobicContact CG1-CG 4.31Å; V146-L160 HydrophobicContact CG2-CD1 4.48Å; V146-L160 HydrophobicContact CG2-CD2 3.91Å; V146-L160 HydrophobicContact CG2-CG 4.17Å |
| 147 | A | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 143 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | M136 R137 L155 K156 I189 F191 L198 | M136-A147 VanDerWaalsContact CA-O 3.31Å; M136-A147 WeakPolarHBondContact CA-O 3.31Å; R137-A147 PolarHBondContact N-O 2.93Å; R137-A147 PolarHBondContact O-N 2.83Å; A147-L155 HydrophobicContact CB-CD1 4.1Å; A147-K156 CarbonylContact C-O 3.58Å; A147-K156 WeakPolarHBondContact CA-O 2.99Å; A147-I189 HydrophobicContact CB-CG2 3.93Å; A147-F191 HydrophobicContact CB-CE1 4.27Å; A147-F191 HydrophobicContact CB-CE2 3.54Å; A147-F191 HydrophobicContact CB-CZ 3.32Å; A147-L198 HydrophobicContact CB-CD1 4.35Å; A147-L198 HydrophobicContact CB-CD2 4.1Å |
| 148 | T | 94.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 147.1 | -175.2 | 57.8 | 0 | 0 | 0 | 0 | 109.7 | L109 V129 M136 L155 K156 W158 | L109-T148 HydrophobicContact CD1-CG2 4.19Å; V129-T148 VanDerWaalsContact CG1-CB 3.44Å; V129-T148 HydrophobicContact CG1-CG2 3.79Å; V129-T148 WeakPolarHBondContact CG1-OG1 3.39Å; V129-T148 HydrophobicContact CG2-CG2 4.32Å; M136-T148 HydrophobicContact CB-CG2 4.09Å; M136-T148 HydrophobicContact CG-CG2 3.82Å; T148-L155 CarbonylContact O-C 3.49Å; T148-L155 WeakPolarHBondContact O-CA 3.31Å; T148-K156 PolarHBondContact N-O 2.88Å; T148-K156 PolarHBondContact O-N 2.8Å; T148-K156 PolarHBondContact OG1-O 3.41Å; T148-W158 PolarHBondContact OG1-NE1 2.96Å |
| 149 | G | 93.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | 159.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | C134 R135 I189 | C134-G149 PolarHBondContact N-O 2.89Å; R135-G149 PolarHBondContact N-O 2.83Å; R135-G149 PolarHBondContact O-N 3.5Å; G149-I189 VanDerWaalsContact N-CD1 3.28Å |
| 150 | G | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -174.8 | -161.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G132 N153 W185 D186 | G132-G150 CarbonylContact O-C 3.58Å; G132-G150 WeakPolarHBondContact O-CA 3.35Å; G150-N153 PolarHBondContact N-O 3.11Å; G150-W185 WeakPolarHBondContact O-CA 3.41Å; G150-D186 VanDerWaalsContact CA-O 3.27Å; G150-D186 WeakPolarHBondContact CA-O 3.17Å; G150-D186 PolarHBondContact N-O 2.9Å; G150-D186 PolarHBondContact O-N 3.07Å |
| 151 | K | 92.3 | Very high | 90.3 | Very high | 118 Ų | 118 | 36.9 Ų | 36.9 | 51% | 0.513 | 19% | 0.191 | S | C | . | . | B | Isolated β-bridge | trans | -79.1 | 121 | 178.3 | -170.6 | 178.6 | 179.6 | -178.8 | 0 | 109.9 | G132 N153 W185 | G132-K151 PolarHBondContact O-N 3.36Å; K151-N153 PolarHBondContact O-N 2.84Å; K151-W185 HydrophobicContact CB-CG 4.24Å; K151-W185 HydrophobicContact CG-CD2 4.43Å; K151-W185 HydrophobicContact CG-CG 4.18Å |
| 152 | E | 90.2 | Very high | 89.5 | Confident | 94 Ų | 94 | 35.6 Ų | 35.6 | 44% | 0.439 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 55.3 | 10.6 | -171 | -64.3 | -60.1 | 129.7 | 0 | 0 | 114.5 | R181 I184 | E152-R181 IonicContact OE2-CZ 3.41Å; E152-R181 VanDerWaalsContact OE2-CZ 3.24Å; E152-R181 IonicContact OE2-NH1 2.9Å; E152-R181 PolarHBondContact OE2-NH1 3.34Å; E152-R181 IonicContact OE2-NH2 3Å; E152-R181 PolarHBondContact OE2-NH2 3.21Å; E152-I184 PolarHBondContact N-O 3.44Å; E152-I184 PolarHBondContact OE1-N 3.1Å |
| 153 | N | 90.4 | Very high | 88.7 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.059 | 20% | 0.197 | C | C | . | . | trans | -118.3 | 95.8 | 175.7 | -165.4 | 9.7 | 0 | 0 | 0 | 108 | V129 G130 G150 K151 K156 | V129-N153 PolarHBondContact O-ND2 3.01Å; G130-N153 PolarHBondContact O-ND2 3.2Å; G130-N153 VanDerWaalsContact O-ND2 3.13Å; G150-N153 PolarHBondContact N-O 3.11Å; K151-N153 PolarHBondContact O-N 2.84Å; N153-K156 WeakPolarHBondContact OD1-CE 3.49Å; N153-K156 PolarHBondContact OD1-NZ 2.9Å | ||
| 154 | A | 91.3 | Very high | 88.3 | Confident | 13 Ų | 13 | 41.2 Ų | 41.2 | 11% | 0.107 | 22% | 0.216 | C | C | . | . | trans | -60.9 | 156.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K156 A170 I184 | A154-K156 PolarHBondContact O-N 2.79Å; A154-A170 HydrophobicContact CB-CB 4.27Å; A154-I184 HydrophobicContact CB-CD1 3.95Å; A154-I184 HydrophobicContact CB-CG2 4.23Å | ||
| 155 | L | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -43.1 | 120.9 | 172.3 | -179.2 | 69.3 | 0 | 0 | 0 | 112.8 | A147 T148 F168 A170 D186 I189 L198 T200 Y210 | A147-L155 HydrophobicContact CB-CD1 4.1Å; T148-L155 CarbonylContact O-C 3.49Å; T148-L155 WeakPolarHBondContact O-CA 3.31Å; L155-F168 HydrophobicContact CD2-CE1 4.45Å; L155-A170 HydrophobicContact CB-CB 3.89Å; L155-A170 WeakPolarHBondContact O-CB 3.43Å; L155-A170 PolarHBondContact O-N 3.47Å; L155-D186 PolarHBondContact N-OD2 3.08Å; L155-D186 VanDerWaalsContact N-OD2 3.12Å; L155-I189 HydrophobicContact CD1-CD1 3.87Å; L155-I189 HydrophobicContact CD1-CG1 4.25Å; L155-I189 HydrophobicContact CD1-CG2 3.82Å; L155-L198 HydrophobicContact CD1-CD1 4.31Å; L155-L198 HydrophobicContact CD2-CB 3.96Å; L155-L198 HydrophobicContact CD2-CD1 3.89Å; L155-L198 HydrophobicContact CG-CD1 4.39Å; L155-T200 HydrophobicContact CB-CG2 4.26Å; L155-T200 HydrophobicContact CD1-CG2 3.99Å; L155-T200 HydrophobicContact CD2-CG2 3.8Å; L155-T200 HydrophobicContact CG-CG2 4.24Å; L155-Y210 HydrophobicContact CD2-CD2 3.41Å; L155-Y210 VanDerWaalsContact CD2-CD2 3.41Å; L155-Y210 HydrophobicContact CD2-CE2 3.96Å; L155-Y210 HydrophobicContact CD2-CG 3.81Å | ||
| 156 | K | 93.6 | Very high | 88.1 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 10% | 0.104 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 137.7 | 171.3 | -66.4 | 171 | -163.9 | 169.1 | 0 | 109.8 | V129 A147 T148 N153 A154 W158 P166 F168 R169 | V129-K156 PolarHBondContact O-NZ 2.72Å; A147-K156 CarbonylContact C-O 3.58Å; A147-K156 WeakPolarHBondContact CA-O 2.99Å; T148-K156 PolarHBondContact N-O 2.88Å; T148-K156 PolarHBondContact O-N 2.8Å; T148-K156 PolarHBondContact OG1-O 3.41Å; N153-K156 WeakPolarHBondContact OD1-CE 3.49Å; N153-K156 PolarHBondContact OD1-NZ 2.9Å; A154-K156 PolarHBondContact O-N 2.79Å; K156-W158 HydrophobicContact CB-CZ2 4.15Å; K156-W158 HydrophobicContact CD-CH2 4.44Å; K156-W158 HydrophobicContact CD-CZ2 3.57Å; K156-W158 HydrophobicContact CG-CZ2 4.47Å; K156-P166 HydrophobicContact CB-CB 4.3Å; K156-F168 CarbonylContact C-O 3.41Å; K156-F168 VanDerWaalsContact CA-O 3.25Å; K156-F168 WeakPolarHBondContact CA-O 3.34Å; K156-R169 HydrophobicContact CG-CG 4.24Å |
| 157 | M | 93 | Very high | 87.9 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 7% | 0.069 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 138.3 | 167.5 | -54.6 | -166.8 | -39.5 | 0 | 0 | 109.5 | V146 P166 V167 F168 L198 P212 | V146-M157 CarbonylContact O-C 3.59Å; V146-M157 WeakPolarHBondContact O-CA 3.35Å; M157-P166 CarbonylContact O-C 3.59Å; M157-P166 VanDerWaalsContact O-CA 3.25Å; M157-P166 WeakPolarHBondContact O-CA 3.39Å; M157-P166 WeakPolarHBondContact O-CB 3.31Å; M157-V167 HydrophobicContact CE-CG1 4.4Å; M157-V167 PolarHBondContact O-N 3.13Å; M157-F168 HydrophobicContact CB-CB 4Å; M157-F168 HydrophobicContact CE-CB 3.57Å; M157-F168 HydrophobicContact CE-CG 4.35Å; M157-F168 HydrophobicContact CG-CB 3.96Å; M157-F168 HydrophobicContact CG-CD1 4.24Å; M157-F168 PolarHBondContact N-O 3.1Å; M157-F168 PolarHBondContact O-N 3.15Å; M157-F168 HydrophobicContact SD-CB 4.31Å; M157-L198 HydrophobicContact CG-CD1 3.55Å; M157-L198 HydrophobicContact SD-CD1 3.28Å; M157-L198 WeakPolarHBondContact SD-CD1 3.49Å; M157-L198 HydrophobicContact SD-CG 4.43Å; M157-P212 HydrophobicContact CE-CB 3.31Å; M157-P212 HydrophobicContact CE-CG 3.82Å; M157-P212 HydrophobicContact SD-CB 3.87Å; M157-P212 HydrophobicContact SD-CG 3.95Å |
| 158 | W | 91.5 | Very high | 87.8 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 138.8 | 179.4 | -53 | 87.6 | 0 | 0 | 0 | 108.4 | L127 V129 V145 V146 T148 K156 E164 P166 | L127-W158 HydrophobicContact CD1-CB 4.39Å; L127-W158 HydrophobicContact CD1-CE3 4.25Å; V129-W158 HydrophobicContact CB-CZ2 4.09Å; V129-W158 HydrophobicContact CG1-CZ2 3.99Å; V129-W158 HydrophobicContact CG2-CZ2 4.03Å; V145-W158 WeakPolarHBondContact CA-O 3.42Å; V146-W158 HydrophobicContact CG2-CB 3.78Å; V146-W158 HydrophobicContact CG2-CG 4.42Å; V146-W158 PolarHBondContact N-O 2.92Å; V146-W158 PolarHBondContact O-N 2.96Å; T148-W158 PolarHBondContact OG1-NE1 2.96Å; K156-W158 HydrophobicContact CB-CZ2 4.15Å; K156-W158 HydrophobicContact CD-CH2 4.44Å; K156-W158 HydrophobicContact CD-CZ2 3.57Å; K156-W158 HydrophobicContact CG-CZ2 4.47Å; W158-E164 WeakPolarHBondContact CZ3-O 3.25Å; W158-P166 HydrophobicContact CD2-CB 4.02Å; W158-P166 HydrophobicContact CE3-CB 3.88Å; W158-P166 HydrophobicContact CH2-CB 3.95Å; W158-P166 HydrophobicContact CH2-CG 4.02Å; W158-P166 HydrophobicContact CZ2-CB 4.05Å; W158-P166 HydrophobicContact CZ2-CG 4.44Å; W158-P166 HydrophobicContact CZ3-CB 3.85Å; W158-P166 HydrophobicContact CZ3-CG 4.11Å |
| 159 | D | 90 | Very high | 87.6 | Confident | 41 Ų | 41 | 58.4 Ų | 58.4 | 22% | 0.219 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 122.5 | 165.6 | 177.3 | 5.9 | 0 | 0 | 0 | 107.3 | H144 Q161 G162 V167 | H144-D159 IonicContact CD2-OD1 3.1Å; H144-D159 PolarHBondContact CD2-OD1 2.55Å; H144-D159 VanDerWaalsContact CD2-OD1 3.29Å; H144-D159 IonicContact CG-OD1 3.48Å; D159-Q161 VanDerWaalsContact C-N 3.29Å; D159-Q161 PolarHBondContact OD1-N 3.07Å; D159-G162 PolarHBondContact O-N 3.18Å; D159-V167 HydrophobicContact CB-CG2 3.58Å |
| 160 | L | 84.9 | Confident | 87.5 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 15% | 0.147 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -77.6 | -15.3 | -178.1 | -61.4 | 176.6 | 0 | 0 | 0 | 112.9 | I101 L109 V111 L125 L127 H144 V146 | I101-L160 HydrophobicContact CD1-CD1 3.35Å; I101-L160 HydrophobicContact CG1-CD1 3.8Å; I101-L160 HydrophobicContact CG2-CD1 4.39Å; L109-L160 HydrophobicContact CD2-CD2 3.77Å; V111-L160 HydrophobicContact CG2-CD1 4.11Å; V111-L160 HydrophobicContact CG2-CD2 3.83Å; V111-L160 HydrophobicContact CG2-CG 4.43Å; L125-L160 HydrophobicContact CD2-CD2 4.27Å; L127-L160 HydrophobicContact CD1-CD2 4.03Å; H144-L160 VanDerWaalsContact O-CB 3.31Å; H144-L160 WeakPolarHBondContact O-CB 3.24Å; H144-L160 VanDerWaalsContact O-CG 3.24Å; H144-L160 WeakPolarHBondContact O-CG 3.35Å; H144-L160 PolarHBondContact O-N 3.11Å; V146-L160 HydrophobicContact CG1-CD1 3.81Å; V146-L160 HydrophobicContact CG1-CG 4.31Å; V146-L160 HydrophobicContact CG2-CD1 4.48Å; V146-L160 HydrophobicContact CG2-CD2 3.91Å; V146-L160 HydrophobicContact CG2-CG 4.17Å |
| 161 | Q | 82.7 | Confident | 87.4 | Confident | 161 Ų | 161 | 64.7 Ų | 64.7 | 75% | 0.752 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -91 | -19.6 | 172.5 | -66 | -180 | -2.4 | 0 | 0 | 112 | H144 D159 | H144-Q161 HydrophobicContact CB-CG 3.85Å; D159-Q161 VanDerWaalsContact C-N 3.29Å; D159-Q161 PolarHBondContact OD1-N 3.07Å |
| 162 | G | 69.3 | Low | 87.3 | Confident | 37 Ų | 37 | 60.5 Ų | 60.5 | 38% | 0.381 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -90.8 | -172.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D159 | D159-G162 PolarHBondContact O-N 3.18Š|
| 163 | S | 69.3 | Low | 87.2 | Confident | 85 Ų | 85 | 57 Ų | 57 | 59% | 0.594 | 30% | 0.295 | S | S | * | . | trans | -53.1 | 160.5 | 175.8 | -175.7 | 0 | 0 | 0 | 0 | 112.9 | E165 | S163-E165 PolarHBondContact O-N 2.8Š| ||
| 164 | E | 77.1 | Confident | 87.2 | Confident | 149 Ų | 149 | 65.6 Ų | 65.6 | 70% | 0.696 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -63.5 | 0.6 | 173 | -62.2 | -175.1 | 171 | 0 | 0 | 114.2 | L127 W158 | L127-E164 HydrophobicContact CD2-CB 4.24Å; L127-E164 HydrophobicContact CD2-CG 4.26Å; W158-E164 WeakPolarHBondContact CZ3-O 3.25Å |
| 165 | E | 85.8 | Confident | 87.1 | Confident | 147 Ų | 147 | 68.5 Ų | 68.5 | 69% | 0.687 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -94.8 | 144.8 | 178.5 | -65.4 | -166.4 | 161.7 | 0 | 0 | 112.4 | S163 V167 | S163-E165 PolarHBondContact O-N 2.8Å; E165-V167 PolarHBondContact O-N 3.34Å |
| 166 | P | 86.9 | Confident | 86.8 | Confident | 46 Ų | 46 | 72.6 Ų | 72.6 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | trans | -71.3 | 128.1 | 177.6 | 28.9 | -32.5 | 0 | 0 | 0 | 110.8 | K156 M157 W158 F168 | K156-P166 HydrophobicContact CB-CB 4.3Å; M157-P166 CarbonylContact O-C 3.59Å; M157-P166 VanDerWaalsContact O-CA 3.25Å; M157-P166 WeakPolarHBondContact O-CA 3.39Å; M157-P166 WeakPolarHBondContact O-CB 3.31Å; W158-P166 HydrophobicContact CD2-CB 4.02Å; W158-P166 HydrophobicContact CE3-CB 3.88Å; W158-P166 HydrophobicContact CH2-CB 3.95Å; W158-P166 HydrophobicContact CH2-CG 4.02Å; W158-P166 HydrophobicContact CZ2-CB 4.05Å; W158-P166 HydrophobicContact CZ2-CG 4.44Å; W158-P166 HydrophobicContact CZ3-CB 3.85Å; W158-P166 HydrophobicContact CZ3-CG 4.11Å; P166-F168 PolarHBondContact O-N 3.2Å | ||
| 167 | V | 89.6 | Confident | 86.6 | Confident | 94 Ų | 94 | 81.5 Ų | 81.5 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -55.8 | -37.5 | 174.1 | 179.5 | 0 | 0 | 0 | 0 | 111.2 | M157 D159 E165 | M157-V167 HydrophobicContact CE-CG1 4.4Å; M157-V167 PolarHBondContact O-N 3.13Å; D159-V167 HydrophobicContact CB-CG2 3.58Å; E165-V167 PolarHBondContact O-N 3.34Å |
| 168 | F | 90.1 | Very high | 86.5 | Confident | 10 Ų | 10 | 85.5 Ų | 85.5 | 4% | 0.044 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 138.5 | 177.5 | 178.7 | -94.5 | 0 | 0 | 0 | 111.2 | L155 K156 M157 P166 A170 Y210 P212 R217 | L155-F168 HydrophobicContact CD2-CE1 4.45Å; K156-F168 CarbonylContact C-O 3.41Å; K156-F168 VanDerWaalsContact CA-O 3.25Å; K156-F168 WeakPolarHBondContact CA-O 3.34Å; M157-F168 HydrophobicContact CB-CB 4Å; M157-F168 HydrophobicContact CE-CB 3.57Å; M157-F168 HydrophobicContact CE-CG 4.35Å; M157-F168 HydrophobicContact CG-CB 3.96Å; M157-F168 HydrophobicContact CG-CD1 4.24Å; M157-F168 PolarHBondContact N-O 3.1Å; M157-F168 PolarHBondContact O-N 3.15Å; M157-F168 HydrophobicContact SD-CB 4.31Å; P166-F168 PolarHBondContact O-N 3.2Å; F168-A170 HydrophobicContact CE1-CB 4.01Å; F168-Y210 HydrophobicContact CE1-CD1 4.47Å; F168-Y210 HydrophobicContact CZ-CD1 4.35Å; F168-P212 HydrophobicContact CB-CB 4.42Å; F168-P212 HydrophobicContact CD2-CB 4.03Å; F168-P212 HydrophobicContact CE2-CB 4.47Å; F168-P212 HydrophobicContact CG-CB 4.18Å; F168-R217 HydrophobicContact CE2-CB 4.29Å; F168-R217 HydrophobicContact CE2-CG 4.11Å; F168-R217 HydrophobicContact CZ-CB 4.48Å |
| 169 | R | 92.2 | Very high | 86.3 | Confident | 144 Ų | 144 | 90.7 Ų | 90.7 | 54% | 0.543 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 115.4 | 172.8 | -178.7 | 175.1 | 178.1 | 176.6 | -0.1 | 109.1 | K156 K171 R217 | K156-R169 HydrophobicContact CG-CG 4.24Å; R169-K171 PolarHBondContact O-N 2.93Å; R169-R217 WeakPolarHBondContact O-CD 3.45Å |
| 170 | A | 91.4 | Very high | 86.3 | Confident | 6 Ų | 6 | 94 Ų | 94 | 5% | 0.05 | 46% | 0.462 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 134.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | A154 L155 F168 Y210 R217 | A154-A170 HydrophobicContact CB-CB 4.27Å; L155-A170 HydrophobicContact CB-CB 3.89Å; L155-A170 WeakPolarHBondContact O-CB 3.43Å; L155-A170 PolarHBondContact O-N 3.47Å; F168-A170 HydrophobicContact CE1-CB 4.01Å; A170-Y210 HydrophobicContact CB-CD1 4.12Å; A170-Y210 HydrophobicContact CB-CE1 3.67Å; A170-R217 WeakPolarHBondContact CA-O 3.44Å |
| 171 | K | 90.5 | Very high | 86.5 | Confident | 125 Ų | 125 | 99.4 Ų | 99.4 | 54% | 0.543 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -90 | 142.9 | 167.3 | -75.7 | -174.1 | 177.7 | -179.3 | 0 | 108.2 | R169 R217 R218 | R169-K171 PolarHBondContact O-N 2.93Å; K171-R217 HydrophobicContact CB-CB 4.11Å; K171-R217 HydrophobicContact CD-CB 4.16Å; K171-R217 HydrophobicContact CG-CB 3.84Å; K171-R217 PolarHBondContact N-O 2.71Å; K171-R218 HydrophobicContact CB-CG 4.21Å |
| 172 | N | 89.2 | Confident | 86.8 | Confident | 31 Ų | 31 | 92.9 Ų | 92.9 | 17% | 0.166 | 45% | 0.452 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 157 | 175.3 | -156.1 | 15.4 | 0 | 0 | 0 | 111.4 | V182 I184 | N172-V182 PolarHBondContact ND2-O 2.95Å; N172-I184 HydrophobicContact CB-CD1 3.94Å; N172-I184 WeakPolarHBondContact OD1-CG1 3.35Å |
| 173 | V | 89.3 | Confident | 87.8 | Confident | 19 Ų | 19 | 93.3 Ų | 93.3 | 12% | 0.115 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 165.9 | 167.5 | -65.1 | 0 | 0 | 0 | 0 | 110.6 | V182 P219 | V173-V182 HydrophobicContact CG2-CB 3.64Å; V173-V182 HydrophobicContact CG2-CG1 3.99Å; V173-V182 HydrophobicContact CG2-CG2 3.71Å; V173-P219 HydrophobicContact CG1-CG 3.5Å; V173-P219 VanDerWaalsContact CG1-CG 3.5Å |
| 174 | R | 88.9 | Confident | 88.7 | Confident | 192 Ų | 192 | 89.8 Ų | 89.8 | 73% | 0.725 | 42% | 0.422 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 155.4 | 171.8 | -71.4 | -178.7 | 174.8 | 154.5 | 2.2 | 109.3 | ||
| 175 | N | 90.4 | Very high | 89.5 | Confident | 74 Ų | 74 | 86.2 Ų | 86.2 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 155.1 | 170.9 | -66.5 | -9.4 | 0 | 0 | 0 | 110 | D179 L180 | N175-D179 WeakPolarHBondContact CB-OD1 3.31Å; N175-D179 PolarHBondContact ND2-O 3.07Å; N175-D179 PolarHBondContact ND2-OD1 2.9Å; N175-L180 VanDerWaalsContact CA-O 3.26Å; N175-L180 WeakPolarHBondContact CA-O 3.34Å; N175-L180 WeakPolarHBondContact CB-O 3.43Å |
| 176 | D | 87.6 | Confident | 89.9 | Confident | 87 Ų | 87 | 79.3 Ų | 79.3 | 47% | 0.465 | 37% | 0.37 | S | S | . | . | trans | -69.3 | 177.4 | -180 | -162 | 17.9 | 0 | 0 | 0 | 111.6 | L178 D179 L180 | D176-L178 PolarHBondContact O-N 2.88Å; D176-D179 WeakPolarHBondContact O-CA 3.18Å; D176-D179 PolarHBondContact O-N 3.32Å; D176-L180 PolarHBondContact N-O 3.2Å | ||
| 177 | W | 87.8 | Confident | 90.2 | Very high | 211 Ų | 211 | 78.9 Ų | 78.9 | 80% | 0.799 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -21.5 | 178 | 65.2 | -79.8 | 0 | 0 | 0 | 114.1 | D179 | W177-D179 VanDerWaalsContact C-N 3.32Š|
| 178 | L | 91.6 | Very high | 90.4 | Very high | 97 Ų | 97 | 74.6 Ų | 74.6 | 51% | 0.508 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 8.6 | 172.6 | -66.3 | 172.9 | 0 | 0 | 0 | 113.9 | D176 L180 | D176-L178 PolarHBondContact O-N 2.88Å; L178-L180 HydrophobicContact CB-CD1 4.19Å; L178-L180 HydrophobicContact CB-CG 4.1Å; L178-L180 HydrophobicContact CD1-CD1 4.44Å; L178-L180 PolarHBondContact O-N 2.7Å |
| 179 | D | 87.4 | Confident | 90.6 | Very high | 121 Ų | 121 | 74.2 Ų | 74.2 | 65% | 0.647 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 56.9 | 26.4 | -172.9 | -157.1 | 20 | 0 | 0 | 0 | 114.3 | N175 D176 W177 | N175-D179 WeakPolarHBondContact CB-OD1 3.31Å; N175-D179 PolarHBondContact ND2-O 3.07Å; N175-D179 PolarHBondContact ND2-OD1 2.9Å; D176-D179 WeakPolarHBondContact O-CA 3.18Å; D176-D179 PolarHBondContact O-N 3.32Å; W177-D179 VanDerWaalsContact C-N 3.32Å |
| 180 | L | 91.1 | Very high | 90.7 | Very high | 110 Ų | 110 | 68.7 Ų | 68.7 | 58% | 0.576 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -89.6 | 142 | 174.8 | -64.7 | 177.2 | 0 | 0 | 0 | 111.2 | N175 D176 L178 V182 | N175-L180 VanDerWaalsContact CA-O 3.26Å; N175-L180 WeakPolarHBondContact CA-O 3.34Å; N175-L180 WeakPolarHBondContact CB-O 3.43Å; D176-L180 PolarHBondContact N-O 3.2Å; L178-L180 HydrophobicContact CB-CD1 4.19Å; L178-L180 HydrophobicContact CB-CG 4.1Å; L178-L180 HydrophobicContact CD1-CD1 4.44Å; L178-L180 PolarHBondContact O-N 2.7Å; L180-V182 PolarHBondContact O-N 3.48Å |
| 181 | R | 89.1 | Confident | 90.8 | Very high | 142 Ų | 142 | 69 Ų | 69 | 54% | 0.536 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 123.1 | 174.9 | 178.7 | -179.8 | 174.3 | -128.5 | -7.9 | 109.9 | E152 P183 | E152-R181 IonicContact OE2-CZ 3.41Å; E152-R181 VanDerWaalsContact OE2-CZ 3.24Å; E152-R181 IonicContact OE2-NH1 2.9Å; E152-R181 PolarHBondContact OE2-NH1 3.34Å; E152-R181 IonicContact OE2-NH2 3Å; E152-R181 PolarHBondContact OE2-NH2 3.21Å; R181-P183 WeakPolarHBondContact O-CD 3.11Å |
| 182 | V | 88.8 | Confident | 90.7 | Very high | 24 Ų | 24 | 63.6 Ų | 63.6 | 15% | 0.145 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 121.4 | 171.4 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | N172 V173 L180 | N172-V182 PolarHBondContact ND2-O 2.95Å; V173-V182 HydrophobicContact CG2-CB 3.64Å; V173-V182 HydrophobicContact CG2-CG1 3.99Å; V173-V182 HydrophobicContact CG2-CG2 3.71Å; L180-V182 PolarHBondContact O-N 3.48Å |
| 183 | P | 89.4 | Confident | 90.4 | Very high | 46 Ų | 46 | 66 Ų | 66 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 152.1 | -179.9 | 27.6 | -34.9 | 0 | 0 | 0 | 111.4 | R181 Y204 | R181-P183 WeakPolarHBondContact O-CD 3.11Å; P183-Y204 HydrophobicContact CB-CD2 4.4Å; P183-Y204 HydrophobicContact CB-CE2 3.52Å; P183-Y204 WeakPolarHBondContact CB-OH 3.42Å; P183-Y204 HydrophobicContact CG-CD1 4.37Å; P183-Y204 HydrophobicContact CG-CD2 3.94Å; P183-Y204 HydrophobicContact CG-CE1 3.88Å; P183-Y204 HydrophobicContact CG-CE2 3.4Å; P183-Y204 HydrophobicContact CG-CG 4.4Å |
| 184 | I | 89.4 | Confident | 89.9 | Confident | 10 Ų | 10 | 69.4 Ų | 69.4 | 5% | 0.051 | 35% | 0.35 | C | S | . | . | trans | -110.7 | 125.6 | -177.7 | -56.3 | 176.6 | 0 | 0 | 0 | 108.4 | E152 A154 N172 | E152-I184 PolarHBondContact N-O 3.44Å; E152-I184 PolarHBondContact OE1-N 3.1Å; A154-I184 HydrophobicContact CB-CD1 3.95Å; A154-I184 HydrophobicContact CB-CG2 4.23Å; N172-I184 HydrophobicContact CB-CD1 3.94Å; N172-I184 WeakPolarHBondContact OD1-CG1 3.35Å | ||
| 185 | W | 93.6 | Very high | 89.4 | Confident | 75 Ų | 75 | 62.6 Ų | 62.6 | 28% | 0.284 | 33% | 0.332 | S | S | . | . | B | Isolated β-bridge | trans | -150.8 | 76.3 | 176.1 | -167.1 | 2.1 | 0 | 0 | 0 | 110.7 | G150 K151 Q187 T202 G203 Y204 | G150-W185 WeakPolarHBondContact O-CA 3.41Å; K151-W185 HydrophobicContact CB-CG 4.24Å; K151-W185 HydrophobicContact CG-CD2 4.43Å; K151-W185 HydrophobicContact CG-CG 4.18Å; W185-Q187 VanDerWaalsContact CZ2-NE2 3.3Å; W185-Q187 PolarHBondContact O-N 2.85Å; W185-T202 CarbonylContact O-C 3.55Å; W185-T202 WeakPolarHBondContact O-CA 3.46Å; W185-G203 PolarHBondContact O-N 2.78Å; W185-Y204 HydrophobicContact CB-CD2 4.09Å; W185-Y204 HydrophobicContact CB-CE2 3.68Å; W185-Y204 HydrophobicContact CE3-CE2 4.36Å |
| 186 | D | 93.4 | Very high | 89 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 118.8 | -179 | -58.3 | -23.4 | 0 | 0 | 0 | 108.7 | C134 G150 L155 C201 | C134-D186 VanDerWaalsContact CB-O 3.25Å; C134-D186 WeakPolarHBondContact CB-O 3.25Å; G150-D186 VanDerWaalsContact CA-O 3.27Å; G150-D186 WeakPolarHBondContact CA-O 3.17Å; G150-D186 PolarHBondContact N-O 2.9Å; G150-D186 PolarHBondContact O-N 3.07Å; L155-D186 PolarHBondContact N-OD2 3.08Å; L155-D186 VanDerWaalsContact N-OD2 3.12Å; D186-C201 CarbonylContact C-O 3.54Å |
| 187 | Q | 93.5 | Very high | 89.1 | Confident | 37 Ų | 37 | 64 Ų | 64 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | -37.4 | -175.2 | -72.9 | -77.2 | 4.6 | 0 | 0 | 112.7 | R135 W185 C201 L230 | R135-Q187 WeakPolarHBondContact CB-O 3.36Å; W185-Q187 VanDerWaalsContact CZ2-NE2 3.3Å; W185-Q187 PolarHBondContact O-N 2.85Å; Q187-C201 PolarHBondContact N-O 3.02Å; Q187-L230 WeakPolarHBondContact CB-O 3.45Å; Q187-L230 WeakPolarHBondContact CG-O 3.42Å |
| 188 | D | 93.6 | Very high | 89.3 | Confident | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.027 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 154.2 | 177.6 | -154.9 | -3.8 | 0 | 0 | 0 | 110.3 | R135 R137 T200 C201 M233 | R135-D188 WeakPolarHBondContact CG-OD1 3.45Å; R135-D188 IonicContact NE-OD1 3.47Å; R137-D188 IonicContact NE-OD1 2.99Å; R137-D188 IonicContact NH2-OD1 2.84Å; D188-T200 WeakPolarHBondContact O-CA 3.48Å; D188-C201 PolarHBondContact O-N 3.39Å; D188-M233 HydrophobicContact CB-CB 4.05Å; D188-M233 PolarHBondContact OD2-N 2.72Å |
| 189 | I | 95 | Very high | 89.5 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 141.8 | -172.9 | -54.8 | 167.8 | 0 | 0 | 0 | 107.1 | R137 A147 G149 L155 L198 V199 T200 | R137-I189 WeakPolarHBondContact CG-O 3.34Å; A147-I189 HydrophobicContact CB-CG2 3.93Å; G149-I189 VanDerWaalsContact N-CD1 3.28Å; L155-I189 HydrophobicContact CD1-CD1 3.87Å; L155-I189 HydrophobicContact CD1-CG1 4.25Å; L155-I189 HydrophobicContact CD1-CG2 3.82Å; I189-L198 HydrophobicContact CG2-CD2 3.92Å; I189-V199 WeakPolarHBondContact CA-O 3.38Å; I189-T200 HydrophobicContact CG1-CG2 4.29Å; I189-T200 HydrophobicContact CG2-CG2 4.44Å |
| 190 | Q | 93.7 | Very high | 89.8 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 14% | 0.136 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 138.9 | 172 | -65.7 | -68.4 | 10.7 | 0 | 0 | 110.9 | V199 M233 L235 | Q190-V199 PolarHBondContact N-O 2.87Å; Q190-V199 PolarHBondContact O-N 2.91Å; Q190-M233 HydrophobicContact CB-CE 4.1Å; Q190-M233 HydrophobicContact CG-CE 3.92Å; Q190-M233 HydrophobicContact CG-CG 4.43Å; Q190-M233 PolarHBondContact NE2-O 2.95Å; Q190-L235 HydrophobicContact CB-CD1 3.88Å; Q190-L235 HydrophobicContact CB-CG 3.87Å; Q190-L235 HydrophobicContact CG-CG 4.39Å |
| 191 | F | 92.4 | Very high | 90 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 5% | 0.048 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 131.1 | 170.5 | -71.3 | -92.6 | 0 | 0 | 0 | 109.8 | R137 Q138 D139 V145 A147 P193 L198 L235 | R137-F191 HydrophobicContact CB-CD2 4.3Å; R137-F191 HydrophobicContact CB-CE2 4.15Å; R137-F191 WeakPolarHBondContact O-CE2 3.42Å; Q138-F191 VanDerWaalsContact C-CE2 3.44Å; Q138-F191 WeakPolarHBondContact O-CD2 3.49Å; D139-F191 HydrophobicContact CB-CD1 3.72Å; D139-F191 HydrophobicContact CB-CD2 4.22Å; D139-F191 HydrophobicContact CB-CE1 3.65Å; D139-F191 HydrophobicContact CB-CE2 4.17Å; D139-F191 HydrophobicContact CB-CG 3.99Å; D139-F191 HydrophobicContact CB-CZ 3.87Å; V145-F191 HydrophobicContact CG1-CE1 4.38Å; V145-F191 HydrophobicContact CG1-CZ 4.42Å; A147-F191 HydrophobicContact CB-CE1 4.27Å; A147-F191 HydrophobicContact CB-CE2 3.54Å; A147-F191 HydrophobicContact CB-CZ 3.32Å; F191-P193 WeakPolarHBondContact O-CD 3.31Å; F191-L198 HydrophobicContact CB-CD2 4.4Å; F191-L198 HydrophobicContact CD1-CD2 3.4Å; F191-L198 VanDerWaalsContact CD1-CD2 3.4Å; F191-L198 HydrophobicContact CD1-CG 4.02Å; F191-L198 HydrophobicContact CD2-CD2 3.96Å; F191-L198 HydrophobicContact CE1-CD1 4.17Å; F191-L198 HydrophobicContact CE1-CD2 3.53Å; F191-L198 HydrophobicContact CE1-CG 4.07Å; F191-L198 HydrophobicContact CE2-CD2 4.06Å; F191-L198 HydrophobicContact CG-CD2 3.64Å; F191-L198 HydrophobicContact CZ-CD2 3.87Å; F191-L235 WeakPolarHBondContact O-CD1 3.24Å |
| 192 | L | 90.2 | Very high | 90.2 | Very high | 12 Ų | 12 | 31.6 Ų | 31.6 | 6% | 0.063 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -76.9 | 117.9 | 176.2 | -76.5 | 162.8 | 0 | 0 | 0 | 109.9 | G194 S195 K197 V199 V209 L235 G239 L256 | L192-G194 PolarHBondContact O-N 2.64Å; L192-S195 VanDerWaalsContact CB-OG 3.24Å; L192-S195 WeakPolarHBondContact CB-OG 3.14Å; L192-S195 PolarHBondContact O-N 2.87Å; L192-K197 HydrophobicContact CB-CB 4.39Å; L192-K197 WeakPolarHBondContact CB-O 3.46Å; L192-K197 HydrophobicContact CD1-CB 3.58Å; L192-K197 PolarHBondContact N-O 3.4Å; L192-V199 HydrophobicContact CD1-CG2 3.61Å; L192-V199 HydrophobicContact CD2-CG2 4.1Å; L192-V199 HydrophobicContact CG-CG2 3.79Å; L192-V209 HydrophobicContact CD1-CG1 4.45Å; L192-L235 HydrophobicContact CD2-CD1 3.74Å; L192-L235 HydrophobicContact CD2-CD2 3.54Å; L192-L235 HydrophobicContact CD2-CG 4.27Å; L192-L235 HydrophobicContact CG-CD1 4.24Å; L192-L235 HydrophobicContact CG-CD2 4.45Å; L192-G239 WeakPolarHBondContact CD2-O 3.37Å; L192-L256 HydrophobicContact CD1-CD1 4.15Å; L192-L256 HydrophobicContact CD2-CD1 3.34Å; L192-L256 HydrophobicContact CG-CD1 4.33Å |
| 193 | P | 83.1 | Confident | 90.3 | Very high | 82 Ų | 82 | 30.6 Ų | 30.6 | 53% | 0.532 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 135.5 | -180 | 26.6 | -33.4 | 0 | 0 | 0 | 110.5 | F191 S195 | F191-P193 WeakPolarHBondContact O-CD 3.31Å; P193-S195 VanDerWaalsContact C-N 3.26Å; P193-S195 PolarHBondContact O-N 2.86Å |
| 194 | G | 77.9 | Confident | 90.5 | Very high | 90 Ų | 90 | 32.4 Ų | 32.4 | 93% | 0.928 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | -4.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L192 | L192-G194 PolarHBondContact O-N 2.64Š|
| 195 | S | 77.4 | Confident | 90.5 | Very high | 49 Ų | 49 | 34.8 Ų | 34.8 | 34% | 0.343 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -134.4 | 142.9 | 170.6 | 71.9 | 0 | 0 | 0 | 0 | 109.4 | L192 P193 K197 | L192-S195 VanDerWaalsContact CB-OG 3.24Å; L192-S195 WeakPolarHBondContact CB-OG 3.14Å; L192-S195 PolarHBondContact O-N 2.87Å; P193-S195 VanDerWaalsContact C-N 3.26Å; P193-S195 PolarHBondContact O-N 2.86Å; S195-K197 PolarHBondContact O-N 2.83Å |
| 196 | Q | 82.1 | Confident | 90.5 | Very high | 110 Ų | 110 | 32.7 Ų | 32.7 | 51% | 0.514 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -69.8 | 10.2 | 176 | -66.2 | -171.2 | 2.1 | 0 | 0 | 113.3 | P212 | Q196-P212 HydrophobicContact CB-CG 4.01Å; Q196-P212 WeakPolarHBondContact O-CD 3.28Å; Q196-P212 WeakPolarHBondContact O-CG 3.39Å |
| 197 | K | 90.5 | Very high | 90.5 | Very high | 80 Ų | 80 | 32.8 Ų | 32.8 | 35% | 0.348 | 19% | 0.187 | S | C | . | . | trans | -74.8 | 148.5 | -177.1 | -64.5 | -179.6 | -177.7 | 178.5 | 0 | 111.6 | L192 S195 V209 Y210 D211 | L192-K197 HydrophobicContact CB-CB 4.39Å; L192-K197 WeakPolarHBondContact CB-O 3.46Å; L192-K197 HydrophobicContact CD1-CB 3.58Å; L192-K197 PolarHBondContact N-O 3.4Å; S195-K197 PolarHBondContact O-N 2.83Å; K197-V209 HydrophobicContact CB-CG1 4.45Å; K197-Y210 CarbonylContact C-O 3.57Å; K197-Y210 VanDerWaalsContact CA-O 3.3Å; K197-Y210 WeakPolarHBondContact CA-O 3.45Å; K197-D211 WeakPolarHBondContact CE-OD2 3.34Å; K197-D211 HydrophobicContact CG-CB 4.2Å | ||
| 198 | L | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 138.5 | 179.6 | -82.5 | 165.2 | 0 | 0 | 0 | 110.2 | A147 L155 M157 I189 F191 V209 Y210 | A147-L198 HydrophobicContact CB-CD1 4.35Å; A147-L198 HydrophobicContact CB-CD2 4.1Å; L155-L198 HydrophobicContact CD1-CD1 4.31Å; L155-L198 HydrophobicContact CD2-CB 3.96Å; L155-L198 HydrophobicContact CD2-CD1 3.89Å; L155-L198 HydrophobicContact CG-CD1 4.39Å; M157-L198 HydrophobicContact CG-CD1 3.55Å; M157-L198 HydrophobicContact SD-CD1 3.28Å; M157-L198 WeakPolarHBondContact SD-CD1 3.49Å; M157-L198 HydrophobicContact SD-CG 4.43Å; I189-L198 HydrophobicContact CG2-CD2 3.92Å; F191-L198 HydrophobicContact CB-CD2 4.4Å; F191-L198 HydrophobicContact CD1-CD2 3.4Å; F191-L198 VanDerWaalsContact CD1-CD2 3.4Å; F191-L198 HydrophobicContact CD1-CG 4.02Å; F191-L198 HydrophobicContact CD2-CD2 3.96Å; F191-L198 HydrophobicContact CE1-CD1 4.17Å; F191-L198 HydrophobicContact CE1-CD2 3.53Å; F191-L198 HydrophobicContact CE1-CG 4.07Å; F191-L198 HydrophobicContact CE2-CD2 4.06Å; F191-L198 HydrophobicContact CG-CD2 3.64Å; F191-L198 HydrophobicContact CZ-CD2 3.87Å; L198-V209 CarbonylContact O-C 3.54Å; L198-V209 VanDerWaalsContact O-CA 3.29Å; L198-V209 WeakPolarHBondContact O-CA 3.46Å; L198-Y210 PolarHBondContact N-O 2.63Å; L198-Y210 PolarHBondContact O-N 2.87Å |
| 199 | V | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 139.7 | 170.5 | -168.4 | 0 | 0 | 0 | 0 | 108.2 | I189 Q190 L192 V207 R208 V209 M233 L235 V242 L256 | I189-V199 WeakPolarHBondContact CA-O 3.38Å; Q190-V199 PolarHBondContact N-O 2.87Å; Q190-V199 PolarHBondContact O-N 2.91Å; L192-V199 HydrophobicContact CD1-CG2 3.61Å; L192-V199 HydrophobicContact CD2-CG2 4.1Å; L192-V199 HydrophobicContact CG-CG2 3.79Å; V199-V207 HydrophobicContact CG1-CG1 3.72Å; V199-R208 CarbonylContact C-O 3.5Å; V199-R208 WeakPolarHBondContact CA-O 3.09Å; V199-V209 HydrophobicContact CG1-CG2 4.44Å; V199-V209 HydrophobicContact CG2-CG2 4.27Å; V199-M233 HydrophobicContact CB-CE 4.09Å; V199-M233 HydrophobicContact CB-SD 4.2Å; V199-M233 HydrophobicContact CG1-CE 4.02Å; V199-M233 HydrophobicContact CG1-SD 3.57Å; V199-M233 VanDerWaalsContact CG1-SD 3.57Å; V199-M233 VanDerWaalsContact O-CE 3.24Å; V199-M233 WeakPolarHBondContact O-CE 3.5Å; V199-L235 HydrophobicContact CG2-CD2 4.28Å; V199-V242 HydrophobicContact CG1-CG2 4.36Å; V199-L256 HydrophobicContact CG1-CD2 4.05Å; V199-L256 HydrophobicContact CG2-CD1 4Å; V199-L256 HydrophobicContact CG2-CD2 3.86Å |
| 200 | T | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.6 | 176.4 | 58.5 | 0 | 0 | 0 | 0 | 110 | L155 D188 I189 V207 R208 Y210 | L155-T200 HydrophobicContact CB-CG2 4.26Å; L155-T200 HydrophobicContact CD1-CG2 3.99Å; L155-T200 HydrophobicContact CD2-CG2 3.8Å; L155-T200 HydrophobicContact CG-CG2 4.24Å; D188-T200 WeakPolarHBondContact O-CA 3.48Å; I189-T200 HydrophobicContact CG1-CG2 4.29Å; I189-T200 HydrophobicContact CG2-CG2 4.44Å; T200-V207 WeakPolarHBondContact O-CA 3.34Å; T200-R208 PolarHBondContact N-O 2.81Å; T200-R208 PolarHBondContact O-N 2.76Å; T200-R208 WeakPolarHBondContact OG1-CB 3.02Å; T200-R208 PolarHBondContact OG1-O 3.11Å; T200-R208 VanDerWaalsContact OG1-O 3.13Å; T200-Y210 HydrophobicContact CG2-CD2 4.12Å; T200-Y210 HydrophobicContact CG2-CE2 3.98Å; T200-Y210 WeakPolarHBondContact OG1-CE2 3.39Å |
| 201 | C | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.7 | 169.4 | -88 | 0 | 0 | 0 | 0 | 109.7 | D186 Q187 D188 L230 M233 V244 | D186-C201 CarbonylContact C-O 3.54Å; Q187-C201 PolarHBondContact N-O 3.02Å; D188-C201 PolarHBondContact O-N 3.39Å; C201-L230 HydrophobicContact CB-CB 4.13Å; C201-L230 HydrophobicContact CB-CD1 4.41Å; C201-M233 HydrophobicContact CB-CB 4.29Å; C201-M233 HydrophobicContact CB-CE 4.45Å; C201-M233 HydrophobicContact CB-SD 4.21Å; C201-M233 PolarHBondContact SG-SD 3.24Å; C201-V244 WeakPolarHBondContact SG-CG1 3.45Å |
| 202 | T | 93.4 | Very high | 90.1 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 152.6 | 179.3 | 70.8 | 0 | 0 | 0 | 0 | 112 | W185 Y204 H205 Q206 L230 | W185-T202 CarbonylContact O-C 3.55Å; W185-T202 WeakPolarHBondContact O-CA 3.46Å; T202-Y204 PolarHBondContact O-N 2.88Å; T202-Y204 VanDerWaalsContact O-N 3.14Å; T202-Y204 PolarHBondContact OG1-N 2.86Å; T202-H205 PolarHBondContact O-N 3.48Å; T202-Q206 HydrophobicContact CG2-CB 4.26Å; T202-Q206 PolarHBondContact N-O 2.78Å; T202-Q206 WeakPolarHBondContact OG1-CA 3.4Å; T202-Q206 WeakPolarHBondContact OG1-CB 3.02Å; T202-Q206 PolarHBondContact OG1-N 3.47Å; T202-Q206 PolarHBondContact OG1-O 2.99Å; T202-L230 WeakPolarHBondContact O-CB 3.21Å; T202-L230 PolarHBondContact O-N 3.31Å |
| 203 | G | 92.1 | Very high | 90 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 4% | 0.041 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -8.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | W185 P229 | W185-G203 PolarHBondContact O-N 2.78Å; G203-P229 VanDerWaalsContact O-CA 3.31Å; G203-P229 WeakPolarHBondContact O-CA 3.27Å; G203-P229 WeakPolarHBondContact O-CB 3.34Å; G203-P229 WeakPolarHBondContact O-CG 3.1Å |
| 204 | Y | 92.1 | Very high | 90 | Very high | 83 Ų | 83 | 33.2 Ų | 33.2 | 33% | 0.325 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 41 | 175.5 | -57.2 | -73 | 0 | 0 | 0 | 111.3 | P183 W185 T202 Q206 | P183-Y204 HydrophobicContact CB-CD2 4.4Å; P183-Y204 HydrophobicContact CB-CE2 3.52Å; P183-Y204 WeakPolarHBondContact CB-OH 3.42Å; P183-Y204 HydrophobicContact CG-CD1 4.37Å; P183-Y204 HydrophobicContact CG-CD2 3.94Å; P183-Y204 HydrophobicContact CG-CE1 3.88Å; P183-Y204 HydrophobicContact CG-CE2 3.4Å; P183-Y204 HydrophobicContact CG-CG 4.4Å; W185-Y204 HydrophobicContact CB-CD2 4.09Å; W185-Y204 HydrophobicContact CB-CE2 3.68Å; W185-Y204 HydrophobicContact CE3-CE2 4.36Å; T202-Y204 PolarHBondContact O-N 2.88Å; T202-Y204 VanDerWaalsContact O-N 3.14Å; T202-Y204 PolarHBondContact OG1-N 2.86Å; Y204-Q206 WeakPolarHBondContact O-CG 3.23Å; Y204-Q206 PolarHBondContact O-N 2.84Å |
| 205 | H | 91.1 | Very high | 90.2 | Very high | 61 Ų | 61 | 35 Ų | 35 | 28% | 0.282 | 20% | 0.198 | S | C | . | . | S | Bend | trans | 57 | 10.9 | 171.7 | 61.4 | -93.6 | 0 | 0 | 0 | 117 | T202 T224 Y225 | T202-H205 PolarHBondContact O-N 3.48Å; H205-T224 WeakPolarHBondContact O-CA 3.4Å; H205-Y225 PolarHBondContact O-N 2.99Å |
| 206 | Q | 92.4 | Very high | 90.5 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 14% | 0.14 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 139.9 | 177.3 | -63.3 | 156.4 | -7.6 | 0 | 0 | 110.9 | T202 Y204 R208 E222 T223 T224 | T202-Q206 HydrophobicContact CG2-CB 4.26Å; T202-Q206 PolarHBondContact N-O 2.78Å; T202-Q206 WeakPolarHBondContact OG1-CA 3.4Å; T202-Q206 WeakPolarHBondContact OG1-CB 3.02Å; T202-Q206 PolarHBondContact OG1-N 3.47Å; T202-Q206 PolarHBondContact OG1-O 2.99Å; Y204-Q206 WeakPolarHBondContact O-CG 3.23Å; Y204-Q206 PolarHBondContact O-N 2.84Å; Q206-R208 VanDerWaalsContact OE1-CZ 3.28Å; Q206-E222 PolarHBondContact OE1-OE1 3.36Å; Q206-T223 CarbonylContact C-O 3.48Å; Q206-T223 WeakPolarHBondContact CA-O 3.34Å; Q206-T224 HydrophobicContact CG-CG2 3.75Å |
| 207 | V | 94.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.024 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125.1 | 167.9 | -175.8 | 0 | 0 | 0 | 0 | 107.2 | V199 T200 E222 T223 L230 V242 V244 I254 | V199-V207 HydrophobicContact CG1-CG1 3.72Å; T200-V207 WeakPolarHBondContact O-CA 3.34Å; V207-E222 WeakPolarHBondContact O-CA 3.43Å; V207-T223 PolarHBondContact N-O 2.78Å; V207-T223 PolarHBondContact O-N 3.3Å; V207-L230 HydrophobicContact CG2-CD1 3.65Å; V207-V242 HydrophobicContact CG1-CG1 4.34Å; V207-V244 HydrophobicContact CG2-CG1 3.86Å; V207-I254 HydrophobicContact CG2-CD1 3.95Å |
| 208 | R | 94.1 | Very high | 90.9 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 0% | 0.004 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 135 | -176.6 | -69.4 | 174.8 | 177.1 | 158.2 | -3.8 | 110.8 | V199 T200 Q206 Y210 P219 L221 E222 | V199-R208 CarbonylContact C-O 3.5Å; V199-R208 WeakPolarHBondContact CA-O 3.09Å; T200-R208 PolarHBondContact N-O 2.81Å; T200-R208 PolarHBondContact O-N 2.76Å; T200-R208 WeakPolarHBondContact OG1-CB 3.02Å; T200-R208 PolarHBondContact OG1-O 3.11Å; T200-R208 VanDerWaalsContact OG1-O 3.13Å; Q206-R208 VanDerWaalsContact OE1-CZ 3.28Å; R208-Y210 HydrophobicContact CB-CD2 4.48Å; R208-Y210 HydrophobicContact CB-CE2 3.75Å; R208-Y210 WeakPolarHBondContact CD-OH 3.32Å; R208-P219 HydrophobicContact CB-CB 3.99Å; R208-P219 HydrophobicContact CG-CB 4.17Å; R208-P219 HydrophobicContact CG-CG 4.44Å; R208-L221 WeakPolarHBondContact CA-O 3.3Å; R208-E222 HydrophobicContact CG-CG 4.18Å; R208-E222 IonicContact CZ-OE1 3.9Å; R208-E222 IonicContact NE-OE1 2.8Å; R208-E222 PolarHBondContact NE-OE1 3.32Å; R208-E222 IonicContact NH2-OE1 4Å; R208-E222 PolarHBondContact NH2-OE1 3.04Å |
| 209 | V | 93.8 | Very high | 90.8 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.6 | 174.6 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | L192 K197 L198 V199 P219 V220 L221 L256 | L192-V209 HydrophobicContact CD1-CG1 4.45Å; K197-V209 HydrophobicContact CB-CG1 4.45Å; L198-V209 CarbonylContact O-C 3.54Å; L198-V209 VanDerWaalsContact O-CA 3.29Å; L198-V209 WeakPolarHBondContact O-CA 3.46Å; V199-V209 HydrophobicContact CG1-CG2 4.44Å; V199-V209 HydrophobicContact CG2-CG2 4.27Å; V209-P219 CarbonylContact O-C 3.51Å; V209-P219 VanDerWaalsContact O-CA 3.3Å; V209-P219 WeakPolarHBondContact O-CA 3.44Å; V209-V220 PolarHBondContact O-N 3.42Å; V209-L221 HydrophobicContact CB-CB 4.05Å; V209-L221 HydrophobicContact CG2-CB 4.06Å; V209-L221 HydrophobicContact CG2-CD2 4.12Å; V209-L221 PolarHBondContact N-O 2.77Å; V209-L256 HydrophobicContact CG2-CD2 3.83Å |
| 210 | Y | 93.6 | Very high | 90.6 | Very high | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143.7 | 177.3 | -63.3 | -87.1 | 0 | 0 | 0 | 110 | L155 F168 A170 K197 L198 T200 R208 P219 | L155-Y210 HydrophobicContact CD2-CD2 3.41Å; L155-Y210 VanDerWaalsContact CD2-CD2 3.41Å; L155-Y210 HydrophobicContact CD2-CE2 3.96Å; L155-Y210 HydrophobicContact CD2-CG 3.81Å; F168-Y210 HydrophobicContact CE1-CD1 4.47Å; F168-Y210 HydrophobicContact CZ-CD1 4.35Å; A170-Y210 HydrophobicContact CB-CD1 4.12Å; A170-Y210 HydrophobicContact CB-CE1 3.67Å; K197-Y210 CarbonylContact C-O 3.57Å; K197-Y210 VanDerWaalsContact CA-O 3.3Å; K197-Y210 WeakPolarHBondContact CA-O 3.45Å; L198-Y210 PolarHBondContact N-O 2.63Å; L198-Y210 PolarHBondContact O-N 2.87Å; T200-Y210 HydrophobicContact CG2-CD2 4.12Å; T200-Y210 HydrophobicContact CG2-CE2 3.98Å; T200-Y210 WeakPolarHBondContact OG1-CE2 3.39Å; R208-Y210 HydrophobicContact CB-CD2 4.48Å; R208-Y210 HydrophobicContact CB-CE2 3.75Å; R208-Y210 WeakPolarHBondContact CD-OH 3.32Å; Y210-P219 HydrophobicContact CD1-CB 4.24Å; Y210-P219 HydrophobicContact CE1-CB 3.83Å; Y210-P219 HydrophobicContact CE1-CG 4.27Å |
| 211 | D | 91.4 | Very high | 90.4 | Very high | 34 Ų | 34 | 48 Ų | 48 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | trans | -118.4 | 105.6 | 173.8 | -168.8 | -18.8 | 0 | 0 | 0 | 108.5 | K197 A213 S214 V220 | K197-D211 WeakPolarHBondContact CE-OD2 3.34Å; K197-D211 HydrophobicContact CG-CB 4.2Å; D211-A213 VanDerWaalsContact C-N 3.26Å; D211-A213 PolarHBondContact O-N 3.49Å; D211-A213 WeakPolarHBondContact OD1-CB 3.44Å; D211-A213 PolarHBondContact OD1-N 3.18Å; D211-A213 VanDerWaalsContact OD1-N 3.07Å; D211-S214 PolarHBondContact O-N 2.89Å; D211-V220 HydrophobicContact CB-CG2 3.81Å | ||
| 212 | P | 87.3 | Confident | 90.3 | Very high | 25 Ų | 25 | 52 Ų | 52 | 16% | 0.162 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -17.8 | -179.2 | 31.2 | -34.9 | 0 | 0 | 0 | 113 | M157 F168 Q196 S214 | M157-P212 HydrophobicContact CE-CB 3.31Å; M157-P212 HydrophobicContact CE-CG 3.82Å; M157-P212 HydrophobicContact SD-CB 3.87Å; M157-P212 HydrophobicContact SD-CG 3.95Å; F168-P212 HydrophobicContact CB-CB 4.42Å; F168-P212 HydrophobicContact CD2-CB 4.03Å; F168-P212 HydrophobicContact CE2-CB 4.47Å; F168-P212 HydrophobicContact CG-CB 4.18Å; Q196-P212 HydrophobicContact CB-CG 4.01Å; Q196-P212 WeakPolarHBondContact O-CD 3.28Å; Q196-P212 WeakPolarHBondContact O-CG 3.39Å; P212-S214 VanDerWaalsContact C-N 3.27Å |
| 213 | A | 86.2 | Confident | 90.2 | Very high | 77 Ų | 77 | 52.9 Ų | 52.9 | 64% | 0.636 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -23.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | D211 | D211-A213 VanDerWaalsContact C-N 3.26Å; D211-A213 PolarHBondContact O-N 3.49Å; D211-A213 WeakPolarHBondContact OD1-CB 3.44Å; D211-A213 PolarHBondContact OD1-N 3.18Å; D211-A213 VanDerWaalsContact OD1-N 3.07Å |
| 214 | S | 84.2 | Confident | 90.2 | Very high | 35 Ų | 35 | 57 Ų | 57 | 25% | 0.245 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -78.4 | 137.8 | 173.7 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | D211 P212 Q216 | D211-S214 PolarHBondContact O-N 2.89Å; P212-S214 VanDerWaalsContact C-N 3.27Å; S214-Q216 PolarHBondContact O-N 3.27Å; S214-Q216 VanDerWaalsContact O-N 3.07Å; S214-Q216 PolarHBondContact OG-N 2.72Å |
| 215 | P | 81 | Confident | 90 | Very high | 127 Ų | 127 | 54.1 Ų | 54.1 | 83% | 0.825 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -63.1 | -13.9 | 171.1 | 23.7 | -31.8 | 0 | 0 | 0 | 112.8 | R217 | P215-R217 PolarHBondContact O-N 3.2Š|
| 216 | Q | 84.8 | Confident | 89.8 | Confident | 128 Ų | 128 | 53.2 Ų | 53.2 | 60% | 0.598 | 30% | 0.298 | S | S | * | . | trans | -75.3 | 108.7 | 174.4 | -61.7 | -169.5 | 6.3 | 0 | 0 | 110.9 | S214 R218 | S214-Q216 PolarHBondContact O-N 3.27Å; S214-Q216 VanDerWaalsContact O-N 3.07Å; S214-Q216 PolarHBondContact OG-N 2.72Å; Q216-R218 PolarHBondContact O-N 3.01Å | ||
| 217 | R | 88.9 | Confident | 89.6 | Confident | 123 Ų | 123 | 59.8 Ų | 59.8 | 46% | 0.464 | 33% | 0.329 | S | S | . | . | trans | -78.1 | 4.1 | 176.7 | -60.8 | -176.5 | -178.7 | -168.4 | -0.4 | 114.5 | F168 R169 A170 K171 P215 | F168-R217 HydrophobicContact CE2-CB 4.29Å; F168-R217 HydrophobicContact CE2-CG 4.11Å; F168-R217 HydrophobicContact CZ-CB 4.48Å; R169-R217 WeakPolarHBondContact O-CD 3.45Å; A170-R217 WeakPolarHBondContact CA-O 3.44Å; K171-R217 HydrophobicContact CB-CB 4.11Å; K171-R217 HydrophobicContact CD-CB 4.16Å; K171-R217 HydrophobicContact CG-CB 3.84Å; K171-R217 PolarHBondContact N-O 2.71Å; P215-R217 PolarHBondContact O-N 3.2Å | ||
| 218 | R | 91.2 | Very high | 89.5 | Confident | 107 Ų | 107 | 63.8 Ų | 63.8 | 40% | 0.404 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -94 | 160.2 | 179.6 | -78.9 | -175.6 | 175.2 | 160.8 | 4.9 | 109.9 | K171 Q216 V220 | K171-R218 HydrophobicContact CB-CG 4.21Å; Q216-R218 PolarHBondContact O-N 3.01Å; R218-V220 PolarHBondContact O-N 2.76Å |
| 219 | P | 91.1 | Very high | 89.4 | Confident | 25 Ų | 25 | 66.1 Ų | 66.1 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | trans | -63 | 136 | 175.9 | 27.3 | -33.9 | 0 | 0 | 0 | 110.4 | V173 R208 V209 Y210 | V173-P219 HydrophobicContact CG1-CG 3.5Å; V173-P219 VanDerWaalsContact CG1-CG 3.5Å; R208-P219 HydrophobicContact CB-CB 3.99Å; R208-P219 HydrophobicContact CG-CB 4.17Å; R208-P219 HydrophobicContact CG-CG 4.44Å; V209-P219 CarbonylContact O-C 3.51Å; V209-P219 VanDerWaalsContact O-CA 3.3Å; V209-P219 WeakPolarHBondContact O-CA 3.44Å; Y210-P219 HydrophobicContact CD1-CB 4.24Å; Y210-P219 HydrophobicContact CE1-CB 3.83Å; Y210-P219 HydrophobicContact CE1-CG 4.27Å | ||
| 220 | V | 90.9 | Very high | 89.4 | Confident | 87 Ų | 87 | 65.6 Ų | 65.6 | 53% | 0.527 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -77.1 | -35.9 | 176.4 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | V209 D211 R218 | V209-V220 PolarHBondContact O-N 3.42Å; D211-V220 HydrophobicContact CB-CG2 3.81Å; R218-V220 PolarHBondContact O-N 2.76Å |
| 221 | L | 90.6 | Very high | 89.4 | Confident | 43 Ų | 43 | 67 Ų | 67 | 23% | 0.225 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.9 | 176.4 | -178.2 | 70.8 | 0 | 0 | 0 | 108.9 | R208 V209 L256 | R208-L221 WeakPolarHBondContact CA-O 3.3Å; V209-L221 HydrophobicContact CB-CB 4.05Å; V209-L221 HydrophobicContact CG2-CB 4.06Å; V209-L221 HydrophobicContact CG2-CD2 4.12Å; V209-L221 PolarHBondContact N-O 2.77Å; L221-L256 VanDerWaalsContact CD2-O 3.23Å; L221-L256 WeakPolarHBondContact CD2-O 3.47Å |
| 222 | E | 91.8 | Very high | 89.4 | Confident | 82 Ų | 82 | 65.5 Ų | 65.5 | 38% | 0.383 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 130.7 | 169.9 | -176 | 163.9 | -139.9 | 0 | 0 | 108.2 | Q206 V207 R208 | Q206-E222 PolarHBondContact OE1-OE1 3.36Å; V207-E222 WeakPolarHBondContact O-CA 3.43Å; R208-E222 HydrophobicContact CG-CG 4.18Å; R208-E222 IonicContact CZ-OE1 3.9Å; R208-E222 IonicContact NE-OE1 2.8Å; R208-E222 PolarHBondContact NE-OE1 3.32Å; R208-E222 IonicContact NH2-OE1 4Å; R208-E222 PolarHBondContact NH2-OE1 3.04Å |
| 223 | T | 91.9 | Very high | 89.8 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 13% | 0.129 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 139.2 | 179.8 | -58 | 0 | 0 | 0 | 0 | 108.5 | Q206 V207 I254 G259 | Q206-T223 CarbonylContact C-O 3.48Å; Q206-T223 WeakPolarHBondContact CA-O 3.34Å; V207-T223 PolarHBondContact N-O 2.78Å; V207-T223 PolarHBondContact O-N 3.3Å; T223-I254 HydrophobicContact CG2-CG2 4.06Å; T223-G259 WeakPolarHBondContact CG2-O 3.37Å; T223-G259 VanDerWaalsContact OG1-CA 3.27Å; T223-G259 WeakPolarHBondContact OG1-CA 3.33Å; T223-G259 PolarHBondContact OG1-O 3.16Å |
| 224 | T | 91.3 | Very high | 90.1 | Very high | 89 Ų | 89 | 61.2 Ų | 61.2 | 55% | 0.546 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 143.4 | 177.2 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | H205 Q206 | H205-T224 WeakPolarHBondContact O-CA 3.4Å; Q206-T224 HydrophobicContact CG-CG2 3.75Å |
| 225 | Y | 88.9 | Confident | 90.5 | Very high | 24 Ų | 24 | 60.5 Ų | 60.5 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | trans | -134.6 | 113.9 | 174.3 | 175 | -106.6 | 0 | 0 | 0 | 111.9 | H205 L230 V244 A252 L261 | H205-Y225 PolarHBondContact O-N 2.99Å; Y225-L230 HydrophobicContact CD1-CD2 4.08Å; Y225-V244 HydrophobicContact CD1-CG2 3.92Å; Y225-V244 HydrophobicContact CG-CG2 4.37Å; Y225-A252 HydrophobicContact CD1-CB 3.75Å; Y225-A252 HydrophobicContact CD2-CB 3.66Å; Y225-A252 HydrophobicContact CE1-CB 3.43Å; Y225-A252 VanDerWaalsContact CE1-CB 3.43Å; Y225-A252 HydrophobicContact CE2-CB 3.34Å; Y225-A252 HydrophobicContact CG-CB 3.86Å; Y225-L261 HydrophobicContact CD2-CD1 3.76Å; Y225-L261 HydrophobicContact CD2-CD2 4.41Å; Y225-L261 HydrophobicContact CE2-CD1 3.81Å; Y225-L261 HydrophobicContact CE2-CD2 4.17Å | ||
| 226 | G | 86.2 | Confident | 91 | Very high | 42 Ų | 42 | 55 Ų | 55 | 43% | 0.433 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 64.9 | -166.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 227 | E | 87.4 | Confident | 90.8 | Very high | 167 Ų | 167 | 51.5 Ų | 51.5 | 78% | 0.78 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -109.5 | -11.3 | -177.6 | -62 | 177.8 | 170.8 | 0 | 0 | 112.3 | ||
| 228 | Y | 92.2 | Very high | 90.3 | Very high | 89 Ų | 89 | 48.3 Ų | 48.3 | 35% | 0.349 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -95.9 | 149.5 | -173.3 | -60 | -69.6 | 0 | 0 | 0 | 112.2 | L230 H248 | Y228-L230 PolarHBondContact O-N 3.01Å; Y228-H248 AromaticContact CD1-CD2 3.11Å; Y228-H248 WeakPolarHBondContact CD1-CD2 3.4Å; Y228-H248 AromaticContact CD1-NE2 3.31Å; Y228-H248 VanDerWaalsContact CD1-NE2 3.31Å; Y228-H248 WeakPolarHBondContact CD1-NE2 3.34Å; Y228-H248 HydrophobicContact CD2-CB 4.42Å; Y228-H248 AromaticContact CD2-CD2 3.87Å; Y228-H248 AromaticContact CE1-CD2 3.34Å; Y228-H248 WeakPolarHBondContact CE1-CD2 3.25Å; Y228-H248 AromaticContact CE1-CE1 3.87Å; Y228-H248 AromaticContact CE1-NE2 3.18Å; Y228-H248 WeakPolarHBondContact CE1-NE2 3.47Å; Y228-H248 AromaticContact CG-CD2 3.38Å; Y228-H248 AromaticContact CZ-CD2 3.84Å; Y228-H248 AromaticContact CZ-NE2 3.9Å |
| 229 | P | 92.1 | Very high | 89.8 | Confident | 49 Ų | 49 | 44 Ų | 44 | 32% | 0.318 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 136.7 | 176.7 | -27 | 35.5 | 0 | 0 | 0 | 112.9 | G203 N246 T247 | G203-P229 VanDerWaalsContact O-CA 3.31Å; G203-P229 WeakPolarHBondContact O-CA 3.27Å; G203-P229 WeakPolarHBondContact O-CB 3.34Å; G203-P229 WeakPolarHBondContact O-CG 3.1Å; P229-N246 VanDerWaalsContact O-CA 3.25Å; P229-N246 WeakPolarHBondContact O-CA 3.2Å; P229-N246 WeakPolarHBondContact O-CB 3.49Å; P229-T247 PolarHBondContact O-N 2.91Å; P229-T247 VanDerWaalsContact O-N 3.17Å; P229-T247 PolarHBondContact O-OG1 2.67Å |
| 230 | L | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 133 | 170.6 | -55.9 | 174.1 | 0 | 0 | 0 | 108.8 | Q187 C201 T202 V207 Y225 Y228 V244 G245 N246 | Q187-L230 WeakPolarHBondContact CB-O 3.45Å; Q187-L230 WeakPolarHBondContact CG-O 3.42Å; C201-L230 HydrophobicContact CB-CB 4.13Å; C201-L230 HydrophobicContact CB-CD1 4.41Å; T202-L230 WeakPolarHBondContact O-CB 3.21Å; T202-L230 PolarHBondContact O-N 3.31Å; V207-L230 HydrophobicContact CG2-CD1 3.65Å; Y225-L230 HydrophobicContact CD1-CD2 4.08Å; Y228-L230 PolarHBondContact O-N 3.01Å; L230-V244 HydrophobicContact CD1-CB 4.39Å; L230-V244 HydrophobicContact CD2-CB 4.25Å; L230-V244 HydrophobicContact CD2-CG2 4.12Å; L230-G245 WeakPolarHBondContact CA-O 3.22Å; L230-N246 HydrophobicContact CD2-CB 4.23Å |
| 231 | T | 93.2 | Very high | 89.6 | Confident | 34 Ų | 34 | 43 Ų | 43 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -31.2 | -172.1 | 52.4 | 0 | 0 | 0 | 0 | 113.1 | G245 V272 | T231-G245 PolarHBondContact N-O 3.24Å; T231-G245 PolarHBondContact OG1-O 3.26Å; T231-V272 WeakPolarHBondContact CB-O 3.05Å; T231-V272 PolarHBondContact OG1-O 3.48Å |
| 232 | A | 92.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 152.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | G245 V272 L275 | A232-G245 PolarHBondContact O-N 2.81Å; A232-V272 HydrophobicContact CB-CG1 4.21Å; A232-L275 HydrophobicContact CB-CB 4.49Å; A232-L275 HydrophobicContact CB-CD1 4.13Å; A232-L275 HydrophobicContact CB-CG 4.15Å |
| 233 | M | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 146.1 | -177.5 | -176.6 | 174 | 58.3 | 0 | 0 | 112.3 | D188 Q190 V199 C201 V242 I243 V244 | D188-M233 HydrophobicContact CB-CB 4.05Å; D188-M233 PolarHBondContact OD2-N 2.72Å; Q190-M233 HydrophobicContact CB-CE 4.1Å; Q190-M233 HydrophobicContact CG-CE 3.92Å; Q190-M233 HydrophobicContact CG-CG 4.43Å; Q190-M233 PolarHBondContact NE2-O 2.95Å; V199-M233 HydrophobicContact CB-CE 4.09Å; V199-M233 HydrophobicContact CB-SD 4.2Å; V199-M233 HydrophobicContact CG1-CE 4.02Å; V199-M233 HydrophobicContact CG1-SD 3.57Å; V199-M233 VanDerWaalsContact CG1-SD 3.57Å; V199-M233 VanDerWaalsContact O-CE 3.24Å; V199-M233 WeakPolarHBondContact O-CE 3.5Å; C201-M233 HydrophobicContact CB-CB 4.29Å; C201-M233 HydrophobicContact CB-CE 4.45Å; C201-M233 HydrophobicContact CB-SD 4.21Å; C201-M233 PolarHBondContact SG-SD 3.24Å; M233-V242 HydrophobicContact CG-CG2 3.27Å; M233-V242 HydrophobicContact SD-CG2 3.4Å; M233-V242 WeakPolarHBondContact SD-CG2 3.42Å; M233-I243 WeakPolarHBondContact CA-O 3.42Å; M233-V244 HydrophobicContact CG-CG1 4.17Å; M233-V244 HydrophobicContact SD-CG1 4.4Å |
| 234 | T | 93.8 | Very high | 90 | Very high | 11 Ų | 11 | 36 Ų | 36 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 150.8 | 171.5 | -168.5 | 0 | 0 | 0 | 0 | 110.9 | V242 I243 L275 C277 L284 | T234-V242 WeakPolarHBondContact O-CG2 3.38Å; T234-I243 HydrophobicContact CG2-CB 4.04Å; T234-I243 PolarHBondContact N-O 3.08Å; T234-I243 PolarHBondContact O-N 2.89Å; T234-L275 HydrophobicContact CG2-CB 3.84Å; T234-C277 WeakPolarHBondContact CG2-SG 3.5Å; T234-C277 PolarHBondContact OG1-N 2.83Å; T234-L284 HydrophobicContact CG2-CD1 3.52Å |
| 235 | L | 92.2 | Very high | 90.1 | Very high | 21 Ų | 21 | 31.8 Ų | 31.8 | 11% | 0.11 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 150 | 177.1 | -66.4 | 173.6 | 0 | 0 | 0 | 110.3 | Q190 F191 L192 V199 V242 L256 C277 | Q190-L235 HydrophobicContact CB-CD1 3.88Å; Q190-L235 HydrophobicContact CB-CG 3.87Å; Q190-L235 HydrophobicContact CG-CG 4.39Å; F191-L235 WeakPolarHBondContact O-CD1 3.24Å; L192-L235 HydrophobicContact CD2-CD1 3.74Å; L192-L235 HydrophobicContact CD2-CD2 3.54Å; L192-L235 HydrophobicContact CD2-CG 4.27Å; L192-L235 HydrophobicContact CG-CD1 4.24Å; L192-L235 HydrophobicContact CG-CD2 4.45Å; V199-L235 HydrophobicContact CG2-CD2 4.28Å; L235-V242 HydrophobicContact CD2-CB 4.1Å; L235-V242 HydrophobicContact CD2-CG2 4.05Å; L235-L256 HydrophobicContact CD2-CD1 4Å; L235-C277 VanDerWaalsContact O-CB 3.25Å; L235-C277 WeakPolarHBondContact O-CB 3.46Å; L235-C277 PolarHBondContact O-SG 2.89Å |
| 236 | T | 90 | Very high | 90.3 | Very high | 12 Ų | 12 | 30.7 Ų | 30.7 | 7% | 0.074 | 19% | 0.188 | C | C | . | . | trans | -76.8 | 155 | 170.9 | 62.7 | 0 | 0 | 0 | 0 | 110.7 | G238 G239 S241 I243 I298 | T236-G238 PolarHBondContact O-N 3.4Å; T236-G239 PolarHBondContact O-N 2.82Å; T236-S241 WeakPolarHBondContact CB-OG 3.43Å; T236-S241 WeakPolarHBondContact CG2-OG 3.38Å; T236-S241 PolarHBondContact N-O 2.89Å; T236-S241 PolarHBondContact OG1-N 2.6Å; T236-S241 PolarHBondContact OG1-O 2.8Å; T236-S241 VanDerWaalsContact OG1-O 3.04Å; T236-S241 PolarHBondContact OG1-OG 3Å; T236-I243 HydrophobicContact CG2-CD1 3.97Å; T236-I243 HydrophobicContact CG2-CG1 3.91Å; T236-I298 HydrophobicContact CG2-CD1 4.16Å; T236-I298 HydrophobicContact CG2-CG2 4.29Å | ||
| 237 | P | 81.4 | Confident | 90.6 | Very high | 54 Ų | 54 | 31.2 Ų | 31.2 | 35% | 0.351 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -33.8 | 179.8 | -29.6 | 34.9 | 0 | 0 | 0 | 114.3 | G239 H278 P279 K281 | P237-G239 VanDerWaalsContact C-N 3.28Å; P237-G239 PolarHBondContact O-N 2.83Å; P237-H278 WeakPolarHBondContact CG-O 3.41Å; P237-P279 WeakPolarHBondContact CB-O 3.27Å; P237-K281 WeakPolarHBondContact CG-O 3.24Å |
| 238 | G | 79.4 | Confident | 90.8 | Very high | 55 Ų | 55 | 28 Ų | 28 | 57% | 0.567 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -1.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | T236 N240 | T236-G238 PolarHBondContact O-N 3.4Å; G238-N240 PolarHBondContact O-N 3.26Å |
| 239 | G | 80.9 | Confident | 90.6 | Very high | 16 Ų | 16 | 24 Ų | 24 | 17% | 0.165 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 65.8 | -1.7 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | L192 T236 P237 | L192-G239 WeakPolarHBondContact CD2-O 3.37Å; T236-G239 PolarHBondContact O-N 2.82Å; P237-G239 VanDerWaalsContact C-N 3.28Å; P237-G239 PolarHBondContact O-N 2.83Å |
| 240 | N | 85.8 | Confident | 90.6 | Very high | 82 Ų | 82 | 25.8 Ų | 25.8 | 44% | 0.439 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -91.7 | -23.2 | -174.4 | -71.1 | -28.2 | 0 | 0 | 0 | 113.2 | G238 D255 L256 | G238-N240 PolarHBondContact O-N 3.26Å; N240-D255 VanDerWaalsContact O-OD1 3.1Å; N240-L256 WeakPolarHBondContact O-CB 3.34Å; N240-L256 PolarHBondContact O-N 2.89Å |
| 241 | S | 90.9 | Very high | 90.5 | Very high | 9 Ų | 9 | 25.8 Ų | 25.8 | 6% | 0.063 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 157.1 | -179.3 | 55 | 0 | 0 | 0 | 0 | 111.7 | T236 E253 I254 | T236-S241 WeakPolarHBondContact CB-OG 3.43Å; T236-S241 WeakPolarHBondContact CG2-OG 3.38Å; T236-S241 PolarHBondContact N-O 2.89Å; T236-S241 PolarHBondContact OG1-N 2.6Å; T236-S241 PolarHBondContact OG1-O 2.8Å; T236-S241 VanDerWaalsContact OG1-O 3.04Å; T236-S241 PolarHBondContact OG1-OG 3Å; S241-E253 WeakPolarHBondContact CB-OE1 3.46Å; S241-E253 PolarHBondContact OG-OE1 3.19Å; S241-I254 CarbonylContact C-O 3.59Å; S241-I254 WeakPolarHBondContact CA-O 3.48Å; S241-I254 WeakPolarHBondContact CB-O 3.31Å |
| 242 | V | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 139.6 | 178.1 | 66.2 | 0 | 0 | 0 | 0 | 109.5 | V199 V207 M233 T234 L235 V244 E253 I254 L256 | V199-V242 HydrophobicContact CG1-CG2 4.36Å; V207-V242 HydrophobicContact CG1-CG1 4.34Å; M233-V242 HydrophobicContact CG-CG2 3.27Å; M233-V242 HydrophobicContact SD-CG2 3.4Å; M233-V242 WeakPolarHBondContact SD-CG2 3.42Å; T234-V242 WeakPolarHBondContact O-CG2 3.38Å; L235-V242 HydrophobicContact CD2-CB 4.1Å; L235-V242 HydrophobicContact CD2-CG2 4.05Å; V242-V244 HydrophobicContact CG1-CG1 4.4Å; V242-V244 HydrophobicContact CG2-CG1 4.24Å; V242-E253 CarbonylContact O-C 3.57Å; V242-E253 WeakPolarHBondContact O-CA 3.36Å; V242-I254 HydrophobicContact CG1-CB 3.9Å; V242-I254 PolarHBondContact N-O 2.97Å; V242-I254 PolarHBondContact O-N 3.25Å; V242-L256 HydrophobicContact CB-CD1 4.29Å; V242-L256 HydrophobicContact CB-CD2 3.99Å; V242-L256 HydrophobicContact CB-CG 4.22Å; V242-L256 HydrophobicContact CG1-CD2 3.61Å; V242-L256 HydrophobicContact CG1-CG 4.15Å |
| 243 | I | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 123.7 | 174.2 | -56.8 | 179.1 | 0 | 0 | 0 | 108.4 | M233 T234 T236 A252 E253 L265 L284 I298 | M233-I243 WeakPolarHBondContact CA-O 3.42Å; T234-I243 HydrophobicContact CG2-CB 4.04Å; T234-I243 PolarHBondContact N-O 3.08Å; T234-I243 PolarHBondContact O-N 2.89Å; T236-I243 HydrophobicContact CG2-CD1 3.97Å; T236-I243 HydrophobicContact CG2-CG1 3.91Å; I243-A252 CarbonylContact C-O 3.58Å; I243-A252 VanDerWaalsContact CA-O 3.24Å; I243-A252 WeakPolarHBondContact CA-O 3.34Å; I243-E253 HydrophobicContact CG1-CB 4.29Å; I243-E253 HydrophobicContact CG1-CG 4.18Å; I243-L265 HydrophobicContact CD1-CD1 4.46Å; I243-L284 HydrophobicContact CD1-CB 4.44Å; I243-L284 HydrophobicContact CD1-CD1 4.19Å; I243-L284 HydrophobicContact CD1-CD2 4.02Å; I243-L284 HydrophobicContact CD1-CG 4.45Å; I243-L284 HydrophobicContact CG2-CD1 4.43Å; I243-L284 HydrophobicContact CG2-CD2 3.83Å; I243-I298 HydrophobicContact CD1-CD1 3.83Å; I243-I298 HydrophobicContact CD1-CG1 3.76Å; I243-I298 HydrophobicContact CD1-CG2 4.02Å |
| 244 | V | 94.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 144.5 | -178.8 | -57.9 | 0 | 0 | 0 | 0 | 110.4 | C201 V207 Y225 L230 M233 V242 L251 A252 I254 | C201-V244 WeakPolarHBondContact SG-CG1 3.45Å; V207-V244 HydrophobicContact CG2-CG1 3.86Å; Y225-V244 HydrophobicContact CD1-CG2 3.92Å; Y225-V244 HydrophobicContact CG-CG2 4.37Å; L230-V244 HydrophobicContact CD1-CB 4.39Å; L230-V244 HydrophobicContact CD2-CB 4.25Å; L230-V244 HydrophobicContact CD2-CG2 4.12Å; M233-V244 HydrophobicContact CG-CG1 4.17Å; M233-V244 HydrophobicContact SD-CG1 4.4Å; V242-V244 HydrophobicContact CG1-CG1 4.4Å; V242-V244 HydrophobicContact CG2-CG1 4.24Å; V244-L251 VanDerWaalsContact O-CA 3.31Å; V244-L251 WeakPolarHBondContact O-CA 3.36Å; V244-A252 HydrophobicContact CG2-CB 4Å; V244-A252 PolarHBondContact N-O 2.68Å; V244-A252 PolarHBondContact O-N 3.12Å; V244-I254 HydrophobicContact CG1-CD1 4.35Å; V244-I254 HydrophobicContact CG2-CD1 3.81Å |
| 245 | G | 93.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L230 T231 A232 | L230-G245 WeakPolarHBondContact CA-O 3.22Å; T231-G245 PolarHBondContact N-O 3.24Å; T231-G245 PolarHBondContact OG1-O 3.26Å; A232-G245 PolarHBondContact O-N 2.81Å |
| 246 | N | 93.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 25.8 Ų | 25.8 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 175.7 | -178.6 | 74.5 | 7.9 | 0 | 0 | 0 | 113.7 | P229 L230 H248 G249 Q250 V272 | P229-N246 VanDerWaalsContact O-CA 3.25Å; P229-N246 WeakPolarHBondContact O-CA 3.2Å; P229-N246 WeakPolarHBondContact O-CB 3.49Å; L230-N246 HydrophobicContact CD2-CB 4.23Å; N246-H248 PolarHBondContact O-N 3.45Å; N246-H248 PolarHBondContact OD1-N 2.49Å; N246-G249 PolarHBondContact O-N 3.46Å; N246-G249 PolarHBondContact OD1-N 2.87Å; N246-Q250 PolarHBondContact N-O 2.67Å; N246-Q250 VanDerWaalsContact N-O 3.16Å; N246-Q250 WeakPolarHBondContact ND2-CB 3.49Å; N246-Q250 PolarHBondContact ND2-OE1 3.4Å; N246-Q250 PolarHBondContact OD1-N 2.77Å; N246-Q250 PolarHBondContact OD1-O 2.84Å; N246-V272 WeakPolarHBondContact O-CG2 3.47Å; N246-V272 PolarHBondContact O-N 3.17Å |
| 247 | T | 92.6 | Very high | 90 | Very high | 54 Ų | 54 | 33.8 Ų | 33.8 | 33% | 0.331 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -16.6 | 177.8 | -46.7 | 0 | 0 | 0 | 0 | 114.3 | P229 S271 | P229-T247 PolarHBondContact O-N 2.91Å; P229-T247 VanDerWaalsContact O-N 3.17Å; P229-T247 PolarHBondContact O-OG1 2.67Å; T247-S271 WeakPolarHBondContact O-CA 2.97Å; T247-S271 WeakPolarHBondContact O-CB 3.21Å; T247-S271 PolarHBondContact O-N 2.87Å; T247-S271 VanDerWaalsContact O-N 3.11Å |
| 248 | H | 90.6 | Very high | 90.3 | Very high | 100 Ų | 100 | 36.6 Ų | 36.6 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 1.4 | -179 | -76.9 | -93.4 | 0 | 0 | 0 | 114.1 | Y228 N246 G270 | Y228-H248 AromaticContact CD1-CD2 3.11Å; Y228-H248 WeakPolarHBondContact CD1-CD2 3.4Å; Y228-H248 AromaticContact CD1-NE2 3.31Å; Y228-H248 VanDerWaalsContact CD1-NE2 3.31Å; Y228-H248 WeakPolarHBondContact CD1-NE2 3.34Å; Y228-H248 HydrophobicContact CD2-CB 4.42Å; Y228-H248 AromaticContact CD2-CD2 3.87Å; Y228-H248 AromaticContact CE1-CD2 3.34Å; Y228-H248 WeakPolarHBondContact CE1-CD2 3.25Å; Y228-H248 AromaticContact CE1-CE1 3.87Å; Y228-H248 AromaticContact CE1-NE2 3.18Å; Y228-H248 WeakPolarHBondContact CE1-NE2 3.47Å; Y228-H248 AromaticContact CG-CD2 3.38Å; Y228-H248 AromaticContact CZ-CD2 3.84Å; Y228-H248 AromaticContact CZ-NE2 3.9Å; N246-H248 PolarHBondContact O-N 3.45Å; N246-H248 PolarHBondContact OD1-N 2.49Å; H248-G270 CarbonylContact C-O 3.58Å |
| 249 | G | 88.6 | Confident | 90.6 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | S | Bend | trans | 85.2 | 14.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | N246 L268 G270 | N246-G249 PolarHBondContact O-N 3.46Å; N246-G249 PolarHBondContact OD1-N 2.87Å; G249-L268 WeakPolarHBondContact O-CB 3.24Å; G249-G270 WeakPolarHBondContact CA-O 3.39Å; G249-G270 PolarHBondContact N-O 2.99Å |
| 250 | Q | 91.3 | Very high | 91 | Very high | 86 Ų | 86 | 41.6 Ų | 41.6 | 40% | 0.402 | 19% | 0.193 | S | C | . | . | trans | -84.1 | 132.7 | 168.7 | -51.2 | 172.6 | -32.2 | 0 | 0 | 108.8 | N246 | N246-Q250 PolarHBondContact N-O 2.67Å; N246-Q250 VanDerWaalsContact N-O 3.16Å; N246-Q250 WeakPolarHBondContact ND2-CB 3.49Å; N246-Q250 PolarHBondContact ND2-OE1 3.4Å; N246-Q250 PolarHBondContact OD1-N 2.77Å; N246-Q250 PolarHBondContact OD1-O 2.84Å | ||
| 251 | L | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 139 | 174.3 | -65.3 | 178.4 | 0 | 0 | 0 | 108.7 | V244 C264 L265 L268 V272 L275 L284 | V244-L251 VanDerWaalsContact O-CA 3.31Å; V244-L251 WeakPolarHBondContact O-CA 3.36Å; L251-C264 CarbonylContact O-C 3.59Å; L251-C264 VanDerWaalsContact O-CA 3.25Å; L251-C264 WeakPolarHBondContact O-CA 3.36Å; L251-L265 HydrophobicContact CB-CB 3.81Å; L251-L265 HydrophobicContact CD1-CB 4.27Å; L251-L265 PolarHBondContact N-O 3.35Å; L251-L265 PolarHBondContact O-N 3.24Å; L251-L268 HydrophobicContact CD1-CD1 3.52Å; L251-L268 HydrophobicContact CD1-CD2 4.24Å; L251-L268 HydrophobicContact CG-CD1 4.05Å; L251-V272 HydrophobicContact CD2-CG1 4.19Å; L251-V272 HydrophobicContact CD2-CG2 3.86Å; L251-L275 HydrophobicContact CD1-CD2 4.2Å; L251-L275 HydrophobicContact CD2-CD1 3.74Å; L251-L275 HydrophobicContact CD2-CD2 3.64Å; L251-L275 HydrophobicContact CD2-CG 4.27Å; L251-L284 HydrophobicContact CD1-CD2 3.95Å |
| 252 | A | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y225 I243 V244 L261 G263 | Y225-A252 HydrophobicContact CD1-CB 3.75Å; Y225-A252 HydrophobicContact CD2-CB 3.66Å; Y225-A252 HydrophobicContact CE1-CB 3.43Å; Y225-A252 VanDerWaalsContact CE1-CB 3.43Å; Y225-A252 HydrophobicContact CE2-CB 3.34Å; Y225-A252 HydrophobicContact CG-CB 3.86Å; I243-A252 CarbonylContact C-O 3.58Å; I243-A252 VanDerWaalsContact CA-O 3.24Å; I243-A252 WeakPolarHBondContact CA-O 3.34Å; V244-A252 HydrophobicContact CG2-CB 4Å; V244-A252 PolarHBondContact N-O 2.68Å; V244-A252 PolarHBondContact O-N 3.12Å; A252-L261 HydrophobicContact CB-CD1 3.47Å; A252-L261 VanDerWaalsContact CB-CD1 3.47Å; A252-G263 WeakPolarHBondContact CA-O 3.47Å |
| 253 | E | 92.8 | Very high | 90.9 | Very high | 30 Ų | 30 | 47.5 Ų | 47.5 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 127.3 | 168.7 | -171.7 | -176.6 | -177.8 | 0 | 0 | 109.3 | S241 V242 I243 L262 G263 I298 | S241-E253 WeakPolarHBondContact CB-OE1 3.46Å; S241-E253 PolarHBondContact OG-OE1 3.19Å; V242-E253 CarbonylContact O-C 3.57Å; V242-E253 WeakPolarHBondContact O-CA 3.36Å; I243-E253 HydrophobicContact CG1-CB 4.29Å; I243-E253 HydrophobicContact CG1-CG 4.18Å; E253-L262 HydrophobicContact CB-CB 4.33Å; E253-L262 HydrophobicContact CG-CB 4.23Å; E253-L262 HydrophobicContact CG-CD1 4.05Å; E253-L262 PolarHBondContact O-N 3.23Å; E253-G263 PolarHBondContact N-O 3.2Å; E253-G263 PolarHBondContact O-N 3.3Å; E253-I298 WeakPolarHBondContact OE2-CG2 3.38Å |
| 254 | I | 93.1 | Very high | 90.6 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 130.6 | -176.8 | -58.3 | 168.7 | 0 | 0 | 0 | 108.4 | V207 T223 S241 V242 V244 R260 L261 | V207-I254 HydrophobicContact CG2-CD1 3.95Å; T223-I254 HydrophobicContact CG2-CG2 4.06Å; S241-I254 CarbonylContact C-O 3.59Å; S241-I254 WeakPolarHBondContact CA-O 3.48Å; S241-I254 WeakPolarHBondContact CB-O 3.31Å; V242-I254 HydrophobicContact CG1-CB 3.9Å; V242-I254 PolarHBondContact N-O 2.97Å; V242-I254 PolarHBondContact O-N 3.25Å; V244-I254 HydrophobicContact CG1-CD1 4.35Å; V244-I254 HydrophobicContact CG2-CD1 3.81Å; I254-R260 CarbonylContact C-O 3.57Å; I254-R260 WeakPolarHBondContact CA-O 3.37Å; I254-L261 HydrophobicContact CG1-CD1 4.16Å |
| 255 | D | 92.4 | Very high | 90.3 | Very high | 14 Ų | 14 | 49.9 Ų | 49.9 | 8% | 0.075 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 126.2 | 172 | -176.3 | 6 | 0 | 0 | 0 | 110 | N240 R257 G259 R260 L262 | N240-D255 VanDerWaalsContact O-OD1 3.1Å; D255-R257 VanDerWaalsContact C-N 3.32Å; D255-R257 PolarHBondContact OD1-N 3.2Å; D255-R257 IonicContact OD1-NE 3.48Å; D255-G259 WeakPolarHBondContact O-CA 3.15Å; D255-G259 PolarHBondContact O-N 3.05Å; D255-R260 PolarHBondContact N-O 3.27Å; D255-L262 HydrophobicContact CB-CD1 4.03Å; D255-L262 HydrophobicContact CB-CD2 4.21Å; D255-L262 HydrophobicContact CB-CG 4.04Å |
| 256 | L | 89.1 | Confident | 89.8 | Confident | 21 Ų | 21 | 57.9 Ų | 57.9 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -14.6 | -178 | -65.9 | 169.7 | 0 | 0 | 0 | 113.2 | L192 V199 V209 L221 L235 N240 V242 | L192-L256 HydrophobicContact CD1-CD1 4.15Å; L192-L256 HydrophobicContact CD2-CD1 3.34Å; L192-L256 HydrophobicContact CG-CD1 4.33Å; V199-L256 HydrophobicContact CG1-CD2 4.05Å; V199-L256 HydrophobicContact CG2-CD1 4Å; V199-L256 HydrophobicContact CG2-CD2 3.86Å; V209-L256 HydrophobicContact CG2-CD2 3.83Å; L221-L256 VanDerWaalsContact CD2-O 3.23Å; L221-L256 WeakPolarHBondContact CD2-O 3.47Å; L235-L256 HydrophobicContact CD2-CD1 4Å; N240-L256 WeakPolarHBondContact O-CB 3.34Å; N240-L256 PolarHBondContact O-N 2.89Å; V242-L256 HydrophobicContact CB-CD1 4.29Å; V242-L256 HydrophobicContact CB-CD2 3.99Å; V242-L256 HydrophobicContact CB-CG 4.22Å; V242-L256 HydrophobicContact CG1-CD2 3.61Å; V242-L256 HydrophobicContact CG1-CG 4.15Å |
| 257 | R | 87.3 | Confident | 89.1 | Confident | 181 Ų | 181 | 60 Ų | 60 | 68% | 0.683 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -41.9 | 177.4 | -68.2 | -179.7 | -68.8 | 168.4 | -4.2 | 112.1 | D255 | D255-R257 VanDerWaalsContact C-N 3.32Å; D255-R257 PolarHBondContact OD1-N 3.2Å; D255-R257 IonicContact OD1-NE 3.48Å |
| 258 | Q | 86.5 | Confident | 88.8 | Confident | 113 Ų | 113 | 58.3 Ų | 58.3 | 53% | 0.528 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | -12.8 | -176.6 | -60.4 | -172.1 | 3.1 | 0 | 0 | 113.5 | R260 | Q258-R260 HydrophobicContact CB-CB 4.34Å; Q258-R260 HydrophobicContact CB-CG 3.92Å; Q258-R260 PolarHBondContact O-N 3.16Å; Q258-R260 VanDerWaalsContact OE1-NH1 3.12Å |
| 259 | G | 87.1 | Confident | 88.5 | Confident | 15 Ų | 15 | 57.5 Ų | 57.5 | 16% | 0.155 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 30 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T223 D255 | T223-G259 WeakPolarHBondContact CG2-O 3.37Å; T223-G259 VanDerWaalsContact OG1-CA 3.27Å; T223-G259 WeakPolarHBondContact OG1-CA 3.33Å; T223-G259 PolarHBondContact OG1-O 3.16Å; D255-G259 WeakPolarHBondContact O-CA 3.15Å; D255-G259 PolarHBondContact O-N 3.05Å |
| 260 | R | 89.5 | Confident | 88.4 | Confident | 161 Ų | 161 | 58.2 Ų | 58.2 | 61% | 0.608 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 143.4 | -176.5 | -69.6 | -176 | -177.9 | 174 | -6.7 | 111 | I254 D255 Q258 L262 | I254-R260 CarbonylContact C-O 3.57Å; I254-R260 WeakPolarHBondContact CA-O 3.37Å; D255-R260 PolarHBondContact N-O 3.27Å; Q258-R260 HydrophobicContact CB-CB 4.34Å; Q258-R260 HydrophobicContact CB-CG 3.92Å; Q258-R260 PolarHBondContact O-N 3.16Å; Q258-R260 VanDerWaalsContact OE1-NH1 3.12Å; R260-L262 PolarHBondContact O-N 3.49Å |
| 261 | L | 90.9 | Very high | 88.5 | Confident | 92 Ų | 92 | 54.9 Ų | 54.9 | 48% | 0.482 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 118.4 | 172 | -174.9 | 71.6 | 0 | 0 | 0 | 109.6 | Y225 A252 I254 | Y225-L261 HydrophobicContact CD2-CD1 3.76Å; Y225-L261 HydrophobicContact CD2-CD2 4.41Å; Y225-L261 HydrophobicContact CE2-CD1 3.81Å; Y225-L261 HydrophobicContact CE2-CD2 4.17Å; A252-L261 HydrophobicContact CB-CD1 3.47Å; A252-L261 VanDerWaalsContact CB-CD1 3.47Å; I254-L261 HydrophobicContact CG1-CD1 4.16Å |
| 262 | L | 88.7 | Confident | 88.5 | Confident | 100 Ų | 100 | 54.9 Ų | 54.9 | 52% | 0.524 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -39.9 | 176.9 | -68 | 175.9 | 0 | 0 | 0 | 111.5 | E253 D255 R260 | E253-L262 HydrophobicContact CB-CB 4.33Å; E253-L262 HydrophobicContact CG-CB 4.23Å; E253-L262 HydrophobicContact CG-CD1 4.05Å; E253-L262 PolarHBondContact O-N 3.23Å; D255-L262 HydrophobicContact CB-CD1 4.03Å; D255-L262 HydrophobicContact CB-CD2 4.21Å; D255-L262 HydrophobicContact CB-CG 4.04Å; R260-L262 PolarHBondContact O-N 3.49Å |
| 263 | G | 86.8 | Confident | 88.5 | Confident | 23 Ų | 23 | 59.2 Ų | 59.2 | 24% | 0.237 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.9 | 166.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A252 E253 | A252-G263 WeakPolarHBondContact CA-O 3.47Å; E253-G263 PolarHBondContact N-O 3.2Å; E253-G263 PolarHBondContact O-N 3.3Å |
| 264 | C | 88.6 | Confident | 88.4 | Confident | 44 Ų | 44 | 58.2 Ų | 58.2 | 30% | 0.297 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.7 | 175.3 | -61.6 | 0 | 0 | 0 | 0 | 110.2 | L251 P301 | L251-C264 CarbonylContact O-C 3.59Å; L251-C264 VanDerWaalsContact O-CA 3.25Å; L251-C264 WeakPolarHBondContact O-CA 3.36Å; C264-P301 WeakPolarHBondContact O-CB 3.39Å |
| 265 | L | 87.6 | Confident | 88.4 | Confident | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.6 | 174.3 | -64.6 | 158.7 | 0 | 0 | 0 | 108.3 | I243 L251 L284 H296 | I243-L265 HydrophobicContact CD1-CD1 4.46Å; L251-L265 HydrophobicContact CB-CB 3.81Å; L251-L265 HydrophobicContact CD1-CB 4.27Å; L251-L265 PolarHBondContact N-O 3.35Å; L251-L265 PolarHBondContact O-N 3.24Å; L265-L284 HydrophobicContact CD1-CD2 3.6Å; L265-H296 HydrophobicContact CD2-CB 4.16Å |
| 266 | K | 83.9 | Confident | 88.5 | Confident | 168 Ų | 168 | 59.8 Ų | 59.8 | 73% | 0.73 | 32% | 0.316 | S | S | * | . | trans | -105.6 | 164.4 | -177.1 | -64.8 | -174.3 | 179.7 | -177.5 | 0 | 111.6 | H296 | K266-H296 PolarHBondContact O-NE2 2.84Š| ||
| 267 | G | 78.4 | Confident | 88.5 | Confident | 46 Ų | 46 | 59.4 Ų | 59.4 | 47% | 0.474 | 31% | 0.314 | S | S | . | . | trans | 116 | -3.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | R294 | G267-R294 PolarHBondContact O-NE 3.11Å; G267-R294 PolarHBondContact O-NH2 2.78Å | ||
| 268 | L | 85.6 | Confident | 88.6 | Confident | 18 Ų | 18 | 50.8 Ų | 50.8 | 9% | 0.094 | 28% | 0.282 | C | S | . | . | trans | -86 | 147.4 | 166.1 | -58.5 | 75.8 | 0 | 0 | 0 | 109.2 | G249 L251 V272 | G249-L268 WeakPolarHBondContact O-CB 3.24Å; L251-L268 HydrophobicContact CD1-CD1 3.52Å; L251-L268 HydrophobicContact CD1-CD2 4.24Å; L251-L268 HydrophobicContact CG-CD1 4.05Å; L268-V272 HydrophobicContact CD2-CG2 3.82Å | ||
| 269 | A | 84.9 | Confident | 88.4 | Confident | 83 Ų | 83 | 49.4 Ų | 49.4 | 69% | 0.686 | 28% | 0.283 | S | S | * | . | trans | -134.8 | 59.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | D290 | A269-D290 WeakPolarHBondContact CA-OD2 3.35Å; A269-D290 PolarHBondContact N-OD2 3.17Å; A269-D290 VanDerWaalsContact O-CG 3.26Å | ||
| 270 | G | 87.8 | Confident | 88.2 | Confident | 20 Ų | 20 | 51.6 Ų | 51.6 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | S | Bend | trans | 150.8 | 175.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H248 G249 V272 D290 | H248-G270 CarbonylContact C-O 3.58Å; G249-G270 WeakPolarHBondContact CA-O 3.39Å; G249-G270 PolarHBondContact N-O 2.99Å; G270-V272 PolarHBondContact O-N 3.28Å; G270-D290 WeakPolarHBondContact CA-OD1 3.28Å; G270-D290 PolarHBondContact N-OD1 3Å |
| 271 | S | 91.9 | Very high | 87.9 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 11% | 0.112 | 28% | 0.278 | C | S | . | . | trans | -60.9 | 127.3 | -173.5 | -172.6 | 0 | 0 | 0 | 0 | 112.2 | T247 G288 L289 | T247-S271 WeakPolarHBondContact O-CA 2.97Å; T247-S271 WeakPolarHBondContact O-CB 3.21Å; T247-S271 PolarHBondContact O-N 2.87Å; T247-S271 VanDerWaalsContact O-N 3.11Å; S271-G288 CarbonylContact O-C 3.51Å; S271-G288 WeakPolarHBondContact O-CA 3.33Å; S271-L289 PolarHBondContact O-N 3.3Å | ||
| 272 | V | 93.7 | Very high | 87.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 129.8 | 170.4 | -171.1 | 0 | 0 | 0 | 0 | 108.1 | T231 A232 N246 L251 L268 G270 L275 | T231-V272 WeakPolarHBondContact CB-O 3.05Å; T231-V272 PolarHBondContact OG1-O 3.48Å; A232-V272 HydrophobicContact CB-CG1 4.21Å; N246-V272 WeakPolarHBondContact O-CG2 3.47Å; N246-V272 PolarHBondContact O-N 3.17Å; L251-V272 HydrophobicContact CD2-CG1 4.19Å; L251-V272 HydrophobicContact CD2-CG2 3.86Å; L268-V272 HydrophobicContact CD2-CG2 3.82Å; G270-V272 PolarHBondContact O-N 3.28Å; V272-L275 HydrophobicContact CG1-CD1 3.99Å; V272-L275 HydrophobicContact CG1-CD2 3.79Å; V272-L275 HydrophobicContact CG1-CG 3.62Å |
| 273 | R | 92.1 | Very high | 87.8 | Confident | 90 Ų | 90 | 39.8 Ų | 39.8 | 34% | 0.34 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | -30.3 | 177.6 | -74 | -172.5 | 166.9 | -174.1 | 0.9 | 112.4 | C287 L289 L314 N315 | R273-C287 PolarHBondContact N-O 2.9Å; R273-L289 VanDerWaalsContact CZ-CD2 3.42Å; R273-L314 VanDerWaalsContact CD-O 3.24Å; R273-L314 WeakPolarHBondContact CD-O 3.35Å; R273-N315 PolarHBondContact NH1-OD1 2.91Å |
| 274 | G | 90.8 | Very high | 88 | Confident | 9 Ų | 9 | 38.7 Ų | 38.7 | 9% | 0.093 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 138.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | C287 | G274-C287 VanDerWaalsContact CA-SG 3.52Å; G274-C287 PolarHBondContact N-O 2.96Å; G274-C287 PolarHBondContact O-N 3.25Å |
| 275 | L | 93.8 | Very high | 88.2 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 138.1 | 173.3 | -69.3 | 171.1 | 0 | 0 | 0 | 109 | A232 T234 L251 V272 L284 A285 S286 | A232-L275 HydrophobicContact CB-CB 4.49Å; A232-L275 HydrophobicContact CB-CD1 4.13Å; A232-L275 HydrophobicContact CB-CG 4.15Å; T234-L275 HydrophobicContact CG2-CB 3.84Å; L251-L275 HydrophobicContact CD1-CD2 4.2Å; L251-L275 HydrophobicContact CD2-CD1 3.74Å; L251-L275 HydrophobicContact CD2-CD2 3.64Å; L251-L275 HydrophobicContact CD2-CG 4.27Å; V272-L275 HydrophobicContact CG1-CD1 3.99Å; V272-L275 HydrophobicContact CG1-CD2 3.79Å; V272-L275 HydrophobicContact CG1-CG 3.62Å; L275-L284 HydrophobicContact CB-CD1 4.39Å; L275-L284 HydrophobicContact CD2-CD1 4.16Å; L275-L284 HydrophobicContact CD2-CD2 4.37Å; L275-L284 HydrophobicContact CD2-CG 4.49Å; L275-A285 WeakPolarHBondContact CA-O 3.29Å; L275-S286 VanDerWaalsContact CD2-CB 3.49Å |
| 276 | Q | 92.6 | Very high | 88.4 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 19% | 0.192 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 127.8 | 172.5 | -173 | 168.1 | 1.6 | 0 | 0 | 111 | A285 L317 L319 | Q276-A285 PolarHBondContact N-O 3.22Å; Q276-A285 PolarHBondContact O-N 2.65Å; Q276-L317 HydrophobicContact CB-CD2 3.77Å; Q276-L317 PolarHBondContact OE1-O 3.14Å; Q276-L317 VanDerWaalsContact OE1-O 3.11Å; Q276-L319 VanDerWaalsContact CD-N 3.3Å; Q276-L319 HydrophobicContact CG-CB 4.1Å |
| 277 | C | 91 | Very high | 88.8 | Confident | 12 Ų | 12 | 28.4 Ų | 28.4 | 8% | 0.081 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 149 | 167.5 | -68.2 | 0 | 0 | 0 | 0 | 111.2 | T234 L235 L283 | T234-C277 WeakPolarHBondContact CG2-SG 3.5Å; T234-C277 PolarHBondContact OG1-N 2.83Å; L235-C277 VanDerWaalsContact O-CB 3.25Å; L235-C277 WeakPolarHBondContact O-CB 3.46Å; L235-C277 PolarHBondContact O-SG 2.89Å; C277-L283 CarbonylContact C-O 3.39Å; C277-L283 VanDerWaalsContact CA-O 3.27Å; C277-L283 WeakPolarHBondContact CA-O 3.44Å |
| 278 | H | 88.6 | Confident | 89.4 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | trans | -65.9 | 142 | 164.5 | -171.4 | -67.3 | 0 | 0 | 0 | 109.4 | P237 S280 K281 L283 L319 D323 | P237-H278 WeakPolarHBondContact CG-O 3.41Å; H278-S280 PolarHBondContact CE1-OG 2.8Å; H278-S280 PolarHBondContact ND1-N 2.84Å; H278-S280 VanDerWaalsContact ND1-N 3.13Å; H278-S280 PolarHBondContact ND1-OG 3.02Å; H278-K281 HydrophobicContact CB-CB 4.22Å; H278-K281 PolarHBondContact ND1-N 2.85Å; H278-L283 HydrophobicContact CB-CB 4.01Å; H278-L283 PolarHBondContact N-O 2.83Å; H278-L319 HydrophobicContact CB-CD2 3.76Å; H278-L319 WeakPolarHBondContact CD2-CD2 3.3Å; H278-D323 IonicContact CE1-OD1 3.75Å | ||
| 279 | P | 82.8 | Confident | 89.7 | Confident | 84 Ų | 84 | 28.4 Ų | 28.4 | 55% | 0.545 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -65.6 | -40.9 | -177 | 21.2 | -32.3 | 0 | 0 | 0 | 114.3 | P237 G321 | P237-P279 WeakPolarHBondContact CB-O 3.27Å; P279-G321 VanDerWaalsContact CG-CA 3.45Å |
| 280 | S | 82.3 | Confident | 89.9 | Confident | 60 Ų | 60 | 25.7 Ų | 25.7 | 42% | 0.42 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -99.4 | -44.5 | 179 | 62.1 | 0 | 0 | 0 | 0 | 114.9 | H278 D323 | H278-S280 PolarHBondContact CE1-OG 2.8Å; H278-S280 PolarHBondContact ND1-N 2.84Å; H278-S280 VanDerWaalsContact ND1-N 3.13Å; H278-S280 PolarHBondContact ND1-OG 3.02Å; S280-D323 WeakPolarHBondContact CB-OD1 2.68Å; S280-D323 PolarHBondContact OG-OD1 3.21Å |
| 281 | K | 83.8 | Confident | 90.1 | Very high | 57 Ų | 57 | 30.1 Ų | 30.1 | 25% | 0.248 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -83.5 | 148.8 | -175.8 | -61.7 | 173.3 | -174.1 | 167 | 0 | 112.1 | P237 H278 L283 D323 | P237-K281 WeakPolarHBondContact CG-O 3.24Å; H278-K281 HydrophobicContact CB-CB 4.22Å; H278-K281 PolarHBondContact ND1-N 2.85Å; K281-L283 HydrophobicContact CB-CD1 3.95Å; K281-L283 HydrophobicContact CB-CG 3.99Å; K281-L283 HydrophobicContact CD-CD1 4.1Å; K281-L283 PolarHBondContact O-N 2.82Å; K281-D323 WeakPolarHBondContact CE-O 3.43Å; K281-D323 PolarHBondContact NZ-O 2.84Å |
| 282 | P | 87 | Confident | 90 | Very high | 42 Ų | 42 | 30 Ų | 30 | 27% | 0.273 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -77.7 | 53.1 | 176.5 | 34.4 | -37.1 | 0 | 0 | 0 | 111.9 | R297 I298 Q299 | P282-R297 WeakPolarHBondContact O-CA 3.31Å; P282-I298 PolarHBondContact O-N 3.01Å; P282-Q299 HydrophobicContact CB-CG 4.41Å |
| 283 | L | 89.3 | Confident | 89.9 | Confident | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 138.1 | -178.7 | -64.2 | 173.8 | 0 | 0 | 0 | 110 | C277 H278 K281 I295 H296 E305 W325 | C277-L283 CarbonylContact C-O 3.39Å; C277-L283 VanDerWaalsContact CA-O 3.27Å; C277-L283 WeakPolarHBondContact CA-O 3.44Å; H278-L283 HydrophobicContact CB-CB 4.01Å; H278-L283 PolarHBondContact N-O 2.83Å; K281-L283 HydrophobicContact CB-CD1 3.95Å; K281-L283 HydrophobicContact CB-CG 3.99Å; K281-L283 HydrophobicContact CD-CD1 4.1Å; K281-L283 PolarHBondContact O-N 2.82Å; L283-I295 HydrophobicContact CB-CG2 4.42Å; L283-I295 HydrophobicContact CD2-CG2 4.17Å; L283-H296 CarbonylContact C-O 3.56Å; L283-H296 WeakPolarHBondContact CA-O 3.44Å; L283-E305 WeakPolarHBondContact CD2-OE2 3.27Å; L283-W325 HydrophobicContact CD1-CH2 3.32Å; L283-W325 HydrophobicContact CD1-CZ2 3.64Å; L283-W325 HydrophobicContact CD1-CZ3 4.27Å |
| 284 | L | 91.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.4 | 175.6 | 173.3 | 72.1 | 0 | 0 | 0 | 108.9 | T234 I243 L251 L265 L275 I295 H296 I298 | T234-L284 HydrophobicContact CG2-CD1 3.52Å; I243-L284 HydrophobicContact CD1-CB 4.44Å; I243-L284 HydrophobicContact CD1-CD1 4.19Å; I243-L284 HydrophobicContact CD1-CD2 4.02Å; I243-L284 HydrophobicContact CD1-CG 4.45Å; I243-L284 HydrophobicContact CG2-CD1 4.43Å; I243-L284 HydrophobicContact CG2-CD2 3.83Å; L251-L284 HydrophobicContact CD1-CD2 3.95Å; L265-L284 HydrophobicContact CD1-CD2 3.6Å; L275-L284 HydrophobicContact CB-CD1 4.39Å; L275-L284 HydrophobicContact CD2-CD1 4.16Å; L275-L284 HydrophobicContact CD2-CD2 4.37Å; L275-L284 HydrophobicContact CD2-CG 4.49Å; L284-I295 CarbonylContact O-C 3.48Å; L284-I295 VanDerWaalsContact O-CA 3.28Å; L284-I295 WeakPolarHBondContact O-CA 3.47Å; L284-H296 HydrophobicContact CB-CB 4.41Å; L284-H296 PolarHBondContact N-O 3Å; L284-H296 PolarHBondContact O-N 3.29Å; L284-I298 HydrophobicContact CB-CG1 4.06Å |
| 285 | A | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L275 Q276 L293 R294 I295 L317 L319 | L275-A285 WeakPolarHBondContact CA-O 3.29Å; Q276-A285 PolarHBondContact N-O 3.22Å; Q276-A285 PolarHBondContact O-N 2.65Å; A285-L293 HydrophobicContact CB-CD1 4.47Å; A285-R294 WeakPolarHBondContact CA-O 3.49Å; A285-I295 HydrophobicContact CB-CG1 4.37Å; A285-L317 HydrophobicContact CB-CD1 3.97Å; A285-L317 HydrophobicContact CB-CD2 3.53Å; A285-L317 HydrophobicContact CB-CG 4.42Å; A285-L319 HydrophobicContact CB-CD1 3.48Å; A285-L319 VanDerWaalsContact CB-CD1 3.48Å |
| 286 | S | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 137.7 | -178.3 | 61.7 | 0 | 0 | 0 | 0 | 111.6 | L275 R294 | L275-S286 VanDerWaalsContact CD2-CB 3.49Å; S286-R294 PolarHBondContact N-O 2.99Å; S286-R294 PolarHBondContact O-N 2.97Å; S286-R294 VanDerWaalsContact O-N 3.1Å; S286-R294 PolarHBondContact OG-O 3.37Å |
| 287 | C | 91.8 | Very high | 89.6 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 155.9 | 176.4 | 73.3 | 0 | 0 | 0 | 0 | 111.7 | R273 G274 L314 L317 | R273-C287 PolarHBondContact N-O 2.9Å; G274-C287 VanDerWaalsContact CA-SG 3.52Å; G274-C287 PolarHBondContact N-O 2.96Å; G274-C287 PolarHBondContact O-N 3.25Å; C287-L314 HydrophobicContact CB-CB 3.82Å; C287-L314 HydrophobicContact CB-CD1 3.81Å; C287-L314 HydrophobicContact CB-CG 4.47Å; C287-L317 HydrophobicContact CB-CD1 3.82Å |
| 288 | G | 90.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | -160.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | S271 D290 L314 | S271-G288 CarbonylContact O-C 3.51Å; S271-G288 WeakPolarHBondContact O-CA 3.33Å; G288-D290 PolarHBondContact O-N 3.02Å; G288-L314 PolarHBondContact O-N 3.33Å |
| 289 | L | 91.3 | Very high | 88.5 | Confident | 61 Ų | 61 | 37 Ų | 37 | 32% | 0.319 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -20.2 | -179.4 | -71 | 178.6 | 0 | 0 | 0 | 113.9 | S271 R273 R291 Q313 | S271-L289 PolarHBondContact O-N 3.3Å; R273-L289 VanDerWaalsContact CZ-CD2 3.42Å; L289-R291 PolarHBondContact O-N 2.84Å; L289-Q313 VanDerWaalsContact CD2-OE1 3.23Å |
| 290 | D | 89.9 | Confident | 88.2 | Confident | 26 Ų | 26 | 36.8 Ų | 36.8 | 14% | 0.139 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -9.5 | -177.7 | -54.1 | 16.1 | 0 | 0 | 0 | 114.3 | A269 G270 G288 V292 R294 | A269-D290 WeakPolarHBondContact CA-OD2 3.35Å; A269-D290 PolarHBondContact N-OD2 3.17Å; A269-D290 VanDerWaalsContact O-CG 3.26Å; G270-D290 WeakPolarHBondContact CA-OD1 3.28Å; G270-D290 PolarHBondContact N-OD1 3Å; G288-D290 PolarHBondContact O-N 3.02Å; D290-V292 HydrophobicContact CB-CB 4.45Å; D290-V292 PolarHBondContact O-N 2.75Å; D290-V292 VanDerWaalsContact O-N 3.16Å; D290-R294 IonicContact OD2-CZ 2.77Å; D290-R294 IonicContact OD2-NH1 3.69Å; D290-R294 PolarHBondContact OD2-NH1 2.9Å; D290-R294 IonicContact OD2-NH2 3.88Å; D290-R294 PolarHBondContact OD2-NH2 3.02Å |
| 291 | R | 91.1 | Very high | 87.4 | Confident | 113 Ų | 113 | 37.1 Ų | 37.1 | 43% | 0.426 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 62.8 | 16.6 | -176.1 | -49.2 | 173.1 | -96.2 | -169.1 | -7.8 | 113.8 | L289 Y309 L310 S312 Q313 | L289-R291 PolarHBondContact O-N 2.84Å; R291-Y309 HydrophobicContact CB-CD2 4.35Å; R291-Y309 HydrophobicContact CB-CE2 3.82Å; R291-Y309 WeakPolarHBondContact O-CD2 3.49Å; R291-L310 PolarHBondContact O-N 3.35Å; R291-S312 WeakPolarHBondContact CA-O 3.35Å; R291-S312 VanDerWaalsContact CB-O 3.24Å; R291-S312 WeakPolarHBondContact CB-O 3.44Å; R291-S312 WeakPolarHBondContact CG-O 3.01Å; R291-Q313 HydrophobicContact CG-CG 4.11Å |
| 292 | V | 91.4 | Very high | 86.6 | Confident | 13 Ų | 13 | 45.5 Ų | 45.5 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 126.1 | -179.4 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | D290 R294 K307 V308 Y309 | D290-V292 HydrophobicContact CB-CB 4.45Å; D290-V292 PolarHBondContact O-N 2.75Å; D290-V292 VanDerWaalsContact O-N 3.16Å; V292-R294 HydrophobicContact CG1-CG 3.81Å; V292-K307 HydrophobicContact CG1-CD 4.43Å; V292-K307 HydrophobicContact CG1-CG 3.53Å; V292-V308 CarbonylContact C-O 3.52Å; V292-V308 WeakPolarHBondContact CA-O 3.14Å; V292-Y309 HydrophobicContact CG2-CD2 3.74Å |
| 293 | L | 91.7 | Very high | 86 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 129 | 165.4 | 173.3 | 65.7 | 0 | 0 | 0 | 108.7 | V11 V13 V23 A285 V308 L310 L317 | V11-L293 HydrophobicContact CB-CD2 3.97Å; V11-L293 HydrophobicContact CG1-CD1 4.05Å; V11-L293 HydrophobicContact CG1-CD2 3.75Å; V11-L293 HydrophobicContact CG2-CD2 4.42Å; V13-L293 HydrophobicContact CG2-CD1 4.38Å; V13-L293 HydrophobicContact CG2-CD2 4.24Å; V23-L293 HydrophobicContact CB-CD2 3.96Å; V23-L293 HydrophobicContact CG1-CD2 4.05Å; V23-L293 HydrophobicContact CG2-CD2 3.81Å; A285-L293 HydrophobicContact CB-CD1 4.47Å; L293-V308 HydrophobicContact CB-CB 4.49Å; L293-V308 PolarHBondContact N-O 2.85Å; L293-V308 PolarHBondContact O-N 2.97Å; L293-L310 HydrophobicContact CB-CD1 3.89Å; L293-L310 HydrophobicContact CB-CG 4.48Å; L293-L317 HydrophobicContact CD1-CD1 3.31Å |
| 294 | R | 91.5 | Very high | 85.8 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 5% | 0.053 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 140.9 | 177 | -65 | -179.3 | -176.4 | 81.5 | -14.6 | 110.5 | G267 A285 S286 D290 V292 L304 H306 K307 | G267-R294 PolarHBondContact O-NE 3.11Å; G267-R294 PolarHBondContact O-NH2 2.78Å; A285-R294 WeakPolarHBondContact CA-O 3.49Å; S286-R294 PolarHBondContact N-O 2.99Å; S286-R294 PolarHBondContact O-N 2.97Å; S286-R294 VanDerWaalsContact O-N 3.1Å; S286-R294 PolarHBondContact OG-O 3.37Å; D290-R294 IonicContact OD2-CZ 2.77Å; D290-R294 IonicContact OD2-NH1 3.69Å; D290-R294 PolarHBondContact OD2-NH1 2.9Å; D290-R294 IonicContact OD2-NH2 3.88Å; D290-R294 PolarHBondContact OD2-NH2 3.02Å; V292-R294 HydrophobicContact CG1-CG 3.81Å; R294-L304 HydrophobicContact CB-CD1 3.81Å; R294-L304 HydrophobicContact CG-CD1 4.12Å; R294-H306 WeakPolarHBondContact CA-O 3.37Å; R294-K307 HydrophobicContact CG-CG 4.45Å |
| 295 | I | 91.4 | Very high | 85.3 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 123.5 | 172.1 | -60 | -172.6 | 0 | 0 | 0 | 109.2 | V11 L25 L283 L284 A285 E305 H306 | V11-I295 HydrophobicContact CG2-CD1 4.13Å; L25-I295 HydrophobicContact CD1-CD1 3.12Å; L25-I295 HydrophobicContact CD2-CD1 3.24Å; L25-I295 HydrophobicContact CD2-CG1 4.3Å; L25-I295 HydrophobicContact CG-CD1 3.73Å; L283-I295 HydrophobicContact CB-CG2 4.42Å; L283-I295 HydrophobicContact CD2-CG2 4.17Å; L284-I295 CarbonylContact O-C 3.48Å; L284-I295 VanDerWaalsContact O-CA 3.28Å; L284-I295 WeakPolarHBondContact O-CA 3.47Å; A285-I295 HydrophobicContact CB-CG1 4.37Å; I295-E305 PolarHBondContact O-N 3.4Å; I295-H306 HydrophobicContact CB-CB 4.16Å; I295-H306 HydrophobicContact CD1-CB 4.49Å; I295-H306 HydrophobicContact CG1-CB 4.4Å; I295-H306 PolarHBondContact N-O 3.2Å; I295-H306 PolarHBondContact O-N 3.23Å |
| 296 | H | 90.4 | Very high | 85.1 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 144.2 | 179.5 | -64.2 | 87.6 | 0 | 0 | 0 | 110 | L265 K266 L283 L284 G303 | L265-H296 HydrophobicContact CD2-CB 4.16Å; K266-H296 PolarHBondContact O-NE2 2.84Å; L283-H296 CarbonylContact C-O 3.56Å; L283-H296 WeakPolarHBondContact CA-O 3.44Å; L284-H296 HydrophobicContact CB-CB 4.41Å; L284-H296 PolarHBondContact N-O 3Å; L284-H296 PolarHBondContact O-N 3.29Å; H296-G303 WeakPolarHBondContact CA-O 3.33Å |
| 297 | R | 89 | Confident | 84.9 | Confident | 121 Ų | 121 | 58.7 Ų | 58.7 | 46% | 0.457 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 121 | 166.7 | -176 | 177.5 | -85.5 | -148.4 | -13.3 | 108.8 | P282 Q299 N300 G303 E305 | P282-R297 WeakPolarHBondContact O-CA 3.31Å; R297-Q299 PolarHBondContact O-N 2.99Å; R297-N300 CarbonylContact O-C 3.55Å; R297-N300 PolarHBondContact O-N 2.84Å; R297-N300 VanDerWaalsContact O-N 3.11Å; R297-G303 PolarHBondContact N-O 3.4Å; R297-E305 HydrophobicContact CB-CG 4.44Å; R297-E305 IonicContact CZ-OE1 3.68Å; R297-E305 IonicContact NE-OE1 3.61Å; R297-E305 PolarHBondContact NE-OE1 2.65Å; R297-E305 IonicContact NH2-OE1 2.68Å; R297-E305 PolarHBondContact NH2-OE1 2.99Å |
| 298 | I | 82.1 | Confident | 84.8 | Confident | 11 Ų | 11 | 59.3 Ų | 59.3 | 6% | 0.056 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -44.9 | -170.3 | -60.7 | 169.6 | 0 | 0 | 0 | 111.4 | T236 I243 E253 P282 L284 N300 | T236-I298 HydrophobicContact CG2-CD1 4.16Å; T236-I298 HydrophobicContact CG2-CG2 4.29Å; I243-I298 HydrophobicContact CD1-CD1 3.83Å; I243-I298 HydrophobicContact CD1-CG1 3.76Å; I243-I298 HydrophobicContact CD1-CG2 4.02Å; E253-I298 WeakPolarHBondContact OE2-CG2 3.38Å; P282-I298 PolarHBondContact O-N 3.01Å; L284-I298 HydrophobicContact CB-CG1 4.06Å; I298-N300 PolarHBondContact O-N 2.79Å; I298-N300 VanDerWaalsContact O-N 3.1Å |
| 299 | Q | 75.1 | Confident | 84.9 | Confident | 161 Ų | 161 | 65.3 Ų | 65.3 | 75% | 0.752 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -8.1 | -178.4 | -64.7 | 177.1 | -8.9 | 0 | 0 | 114.3 | P282 R297 | P282-Q299 HydrophobicContact CB-CG 4.41Å; R297-Q299 PolarHBondContact O-N 2.99Å |
| 300 | N | 76.6 | Confident | 84.6 | Confident | 80 Ų | 80 | 62.6 Ų | 62.6 | 43% | 0.428 | 28% | 0.282 | S | S | . | . | trans | -125.4 | 103.4 | 175.9 | -173.7 | -7.5 | 0 | 0 | 0 | 109.9 | R297 I298 R302 G303 | R297-N300 CarbonylContact O-C 3.55Å; R297-N300 PolarHBondContact O-N 2.84Å; R297-N300 VanDerWaalsContact O-N 3.11Å; I298-N300 PolarHBondContact O-N 2.79Å; I298-N300 VanDerWaalsContact O-N 3.1Å; N300-R302 PolarHBondContact O-N 3.28Å; N300-R302 PolarHBondContact OD1-N 3.18Å; N300-G303 PolarHBondContact O-N 3.2Å; N300-G303 PolarHBondContact OD1-N 3.42Å | ||
| 301 | P | 64 | Low | 84.5 | Confident | 66 Ų | 66 | 69.1 Ų | 69.1 | 43% | 0.429 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -15.8 | -175.6 | 20.3 | -30.1 | 0 | 0 | 0 | 114.5 | C264 | C264-P301 WeakPolarHBondContact O-CB 3.39Š|
| 302 | R | 67.1 | Low | 84.3 | Confident | 233 Ų | 233 | 65 Ų | 65 | 88% | 0.879 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -4.2 | 173.5 | -62.3 | -176.7 | -175.3 | 177 | 2 | 113.6 | N300 L304 | N300-R302 PolarHBondContact O-N 3.28Å; N300-R302 PolarHBondContact OD1-N 3.18Å; R302-L304 VanDerWaalsContact C-N 3.32Å; R302-L304 PolarHBondContact O-N 2.76Å |
| 303 | G | 74.6 | Confident | 84.2 | Confident | 13 Ų | 13 | 67.7 Ų | 67.7 | 13% | 0.134 | 31% | 0.309 | C | S | . | . | trans | -77.8 | 75.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H296 R297 N300 E305 | H296-G303 WeakPolarHBondContact CA-O 3.33Å; R297-G303 PolarHBondContact N-O 3.4Å; N300-G303 PolarHBondContact O-N 3.2Å; N300-G303 PolarHBondContact OD1-N 3.42Å; G303-E305 PolarHBondContact O-N 3.3Å | ||
| 304 | L | 84.4 | Confident | 84.2 | Confident | 75 Ų | 75 | 67.6 Ų | 67.6 | 39% | 0.393 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 112.6 | 163.7 | -178.6 | 73.8 | 0 | 0 | 0 | 108.2 | R294 R302 K307 | R294-L304 HydrophobicContact CB-CD1 3.81Å; R294-L304 HydrophobicContact CG-CD1 4.12Å; R302-L304 VanDerWaalsContact C-N 3.32Å; R302-L304 PolarHBondContact O-N 2.76Å; L304-K307 HydrophobicContact CD2-CB 4.21Å; L304-K307 HydrophobicContact CD2-CD 4.5Å |
| 305 | E | 83.2 | Confident | 84.2 | Confident | 66 Ų | 66 | 68.4 Ų | 68.4 | 31% | 0.308 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -48.3 | 179.2 | -68 | -170.5 | 173.9 | 0 | 0 | 111 | L283 I295 R297 G303 | L283-E305 WeakPolarHBondContact CD2-OE2 3.27Å; I295-E305 PolarHBondContact O-N 3.4Å; R297-E305 HydrophobicContact CB-CG 4.44Å; R297-E305 IonicContact CZ-OE1 3.68Å; R297-E305 IonicContact NE-OE1 3.61Å; R297-E305 PolarHBondContact NE-OE1 2.65Å; R297-E305 IonicContact NH2-OE1 2.68Å; R297-E305 PolarHBondContact NH2-OE1 2.99Å; G303-E305 PolarHBondContact O-N 3.3Å |
| 306 | H | 86.1 | Confident | 84 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 16% | 0.162 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 140.9 | -176.6 | -60.9 | -93 | 0 | 0 | 0 | 112 | L25 R294 I295 | L25-H306 HydrophobicContact CD2-CB 4.42Å; L25-H306 PolarHBondContact O-CE1 3.05Å; L25-H306 VanDerWaalsContact O-CE1 3.24Å; L25-H306 PolarHBondContact O-ND1 3.38Å; R294-H306 WeakPolarHBondContact CA-O 3.37Å; I295-H306 HydrophobicContact CB-CB 4.16Å; I295-H306 HydrophobicContact CD1-CB 4.49Å; I295-H306 HydrophobicContact CG1-CB 4.4Å; I295-H306 PolarHBondContact N-O 3.2Å; I295-H306 PolarHBondContact O-N 3.23Å |
| 307 | K | 90.4 | Very high | 84.1 | Confident | 138 Ų | 138 | 69.3 Ų | 69.3 | 60% | 0.6 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 112.7 | 173.9 | -173.9 | -177.2 | 177.5 | -177.9 | 0 | 108.5 | V292 R294 L304 | V292-K307 HydrophobicContact CG1-CD 4.43Å; V292-K307 HydrophobicContact CG1-CG 3.53Å; R294-K307 HydrophobicContact CG-CG 4.45Å; L304-K307 HydrophobicContact CD2-CB 4.21Å; L304-K307 HydrophobicContact CD2-CD 4.5Å |
| 308 | V | 89.9 | Confident | 84.1 | Confident | 13 Ų | 13 | 64 Ų | 64 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 120.7 | -176.7 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | V23 V292 L293 L310 | V23-V308 HydrophobicContact CG1-CB 4.4Å; V23-V308 HydrophobicContact CG1-CG1 4.14Å; V23-V308 HydrophobicContact CG1-CG2 4.12Å; V292-V308 CarbonylContact C-O 3.52Å; V292-V308 WeakPolarHBondContact CA-O 3.14Å; L293-V308 HydrophobicContact CB-CB 4.49Å; L293-V308 PolarHBondContact N-O 2.85Å; L293-V308 PolarHBondContact O-N 2.97Å; V308-L310 HydrophobicContact CG1-CD2 3.99Å; V308-L310 HydrophobicContact CG1-CG 4.48Å |
| 309 | Y | 90.8 | Very high | 84.4 | Confident | 128 Ų | 128 | 63.8 Ų | 63.8 | 50% | 0.502 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 122 | 176.8 | 179.7 | -116.4 | 0 | 0 | 0 | 110.6 | R291 V292 K311 | R291-Y309 HydrophobicContact CB-CD2 4.35Å; R291-Y309 HydrophobicContact CB-CE2 3.82Å; R291-Y309 WeakPolarHBondContact O-CD2 3.49Å; V292-Y309 HydrophobicContact CG2-CD2 3.74Å; Y309-K311 HydrophobicContact CD1-CG 3.88Å; Y309-K311 HydrophobicContact CE1-CB 4.16Å; Y309-K311 HydrophobicContact CE1-CG 3.51Å |
| 310 | L | 86.5 | Confident | 84.7 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | trans | -106.3 | 9 | -173.4 | -66.5 | 178.4 | 0 | 0 | 0 | 113.4 | V13 K21 V23 A30 R291 L293 V308 S312 L314 | V13-L310 HydrophobicContact CB-CD1 4.28Å; V13-L310 HydrophobicContact CG1-CD1 4.42Å; V13-L310 HydrophobicContact CG2-CD1 4.07Å; K21-L310 HydrophobicContact CD-CB 4.24Å; K21-L310 HydrophobicContact CD-CD2 4.34Å; K21-L310 PolarHBondContact NZ-O 2.68Å; V23-L310 HydrophobicContact CG2-CD1 4.15Å; V23-L310 HydrophobicContact CG2-CD2 3.83Å; A30-L310 HydrophobicContact CB-CD2 3.42Å; A30-L310 VanDerWaalsContact CB-CD2 3.42Å; R291-L310 PolarHBondContact O-N 3.35Å; L293-L310 HydrophobicContact CB-CD1 3.89Å; L293-L310 HydrophobicContact CB-CG 4.48Å; V308-L310 HydrophobicContact CG1-CD2 3.99Å; V308-L310 HydrophobicContact CG1-CG 4.48Å; L310-S312 PolarHBondContact O-N 3.09Å; L310-L314 HydrophobicContact CB-CD2 4.05Å; L310-L314 HydrophobicContact CD1-CD1 3.88Å; L310-L314 HydrophobicContact CD1-CD2 3.91Å | ||
| 311 | K | 87.2 | Confident | 84.4 | Confident | 163 Ų | 163 | 53.1 Ų | 53.1 | 71% | 0.709 | 25% | 0.25 | S | S | * | . | S | Bend | trans | 60.3 | -17.6 | 175.9 | -59.5 | 178.7 | 179.2 | -179.3 | 0 | 117 | Y309 | Y309-K311 HydrophobicContact CD1-CG 3.88Å; Y309-K311 HydrophobicContact CE1-CB 4.16Å; Y309-K311 HydrophobicContact CE1-CG 3.51Å |
| 312 | S | 87.6 | Confident | 84.7 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -122.3 | 153.6 | -175.5 | -51.8 | 0 | 0 | 0 | 0 | 110.5 | K21 R291 L310 L314 | K21-S312 PolarHBondContact NZ-OG 2.77Å; R291-S312 WeakPolarHBondContact CA-O 3.35Å; R291-S312 VanDerWaalsContact CB-O 3.24Å; R291-S312 WeakPolarHBondContact CB-O 3.44Å; R291-S312 WeakPolarHBondContact CG-O 3.01Å; L310-S312 PolarHBondContact O-N 3.09Å; S312-L314 WeakPolarHBondContact O-CD2 3.25Å |
| 313 | Q | 89.6 | Confident | 84.2 | Confident | 70 Ų | 70 | 47.5 Ų | 47.5 | 33% | 0.327 | 23% | 0.228 | S | C | . | . | trans | -69.4 | 139.7 | 174.8 | -63 | -173 | 17.3 | 0 | 0 | 110.3 | T15 E16 L289 R291 | T15-Q313 WeakPolarHBondContact CA-O 3.24Å; T15-Q313 WeakPolarHBondContact CB-O 3.34Å; E16-Q313 PolarHBondContact N-O 3.04Å; E16-Q313 PolarHBondContact OE2-OE1 3.16Å; L289-Q313 VanDerWaalsContact CD2-OE1 3.23Å; R291-Q313 HydrophobicContact CG-CG 4.11Å | ||
| 314 | L | 91.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 133.1 | -171.2 | -49.8 | 177.3 | 0 | 0 | 0 | 109.1 | V13 T15 R273 C287 G288 L310 S312 | V13-L314 HydrophobicContact CG1-CB 3.8Å; V13-L314 HydrophobicContact CG1-CD1 3.99Å; V13-L314 HydrophobicContact CG1-CD2 3.6Å; V13-L314 HydrophobicContact CG1-CG 3.95Å; T15-L314 HydrophobicContact CG2-CD2 3.86Å; R273-L314 VanDerWaalsContact CD-O 3.24Å; R273-L314 WeakPolarHBondContact CD-O 3.35Å; C287-L314 HydrophobicContact CB-CB 3.82Å; C287-L314 HydrophobicContact CB-CD1 3.81Å; C287-L314 HydrophobicContact CB-CG 4.47Å; G288-L314 PolarHBondContact O-N 3.33Å; L310-L314 HydrophobicContact CB-CD2 4.05Å; L310-L314 HydrophobicContact CD1-CD1 3.88Å; L310-L314 HydrophobicContact CD1-CD2 3.91Å; S312-L314 WeakPolarHBondContact O-CD2 3.25Å |
| 315 | N | 90.2 | Very high | 81.8 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | -48.8 | -176.4 | -74.4 | -9.9 | 0 | 0 | 0 | 112.4 | G14 V45 R273 | G14-N315 PolarHBondContact O-N 2.82Å; V45-N315 VanDerWaalsContact O-CB 3.27Å; V45-N315 WeakPolarHBondContact O-CB 3.38Å; V45-N315 PolarHBondContact O-ND2 2.88Å; R273-N315 PolarHBondContact NH1-OD1 2.91Å |
| 316 | C | 88.4 | Confident | 80 | Confident | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 160.8 | -173.7 | 49.7 | 0 | 0 | 0 | 0 | 110 | V13 G14 V45 L48 | V13-C316 WeakPolarHBondContact CG1-O 3.32Å; G14-C316 PolarHBondContact N-O 2.87Å; V45-C316 VanDerWaalsContact CG1-SG 3.59Å; L48-C316 HydrophobicContact CD1-CB 4.4Å; L48-C316 HydrophobicContact CG-CB 4.46Å |
| 317 | L | 91.3 | Very high | 78.1 | Confident | 16 Ų | 16 | 58.4 Ų | 58.4 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 144 | -174.5 | -165 | 140.7 | 0 | 0 | 0 | 108.8 | V11 W12 V13 Q276 A285 C287 L293 L319 | V11-L317 HydrophobicContact CG1-CD1 4.03Å; V11-L317 HydrophobicContact CG1-CD2 3.92Å; V11-L317 HydrophobicContact CG1-CG 3.85Å; W12-L317 CarbonylContact O-C 3.55Å; W12-L317 WeakPolarHBondContact O-CA 3.25Å; V13-L317 HydrophobicContact CG2-CD1 4.34Å; V13-L317 HydrophobicContact CG2-CG 4.47Å; Q276-L317 HydrophobicContact CB-CD2 3.77Å; Q276-L317 PolarHBondContact OE1-O 3.14Å; Q276-L317 VanDerWaalsContact OE1-O 3.11Å; A285-L317 HydrophobicContact CB-CD1 3.97Å; A285-L317 HydrophobicContact CB-CD2 3.53Å; A285-L317 HydrophobicContact CB-CG 4.42Å; C287-L317 HydrophobicContact CB-CD1 3.82Å; L293-L317 HydrophobicContact CD1-CD1 3.31Å; L317-L319 HydrophobicContact CD2-CB 4.39Å |
| 318 | L | 89.5 | Confident | 75.9 | Confident | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 124.3 | 174 | -166.8 | 69.2 | 0 | 0 | 0 | 108.8 | W12 L48 W50 I58 | W12-L318 HydrophobicContact CB-CB 4.17Å; W12-L318 PolarHBondContact N-O 3.18Å; W12-L318 PolarHBondContact O-N 3.3Å; L48-L318 HydrophobicContact CB-CB 4.18Å; L48-L318 HydrophobicContact CD1-CB 4.28Å; W50-L318 HydrophobicContact CD2-CD1 4.42Å; W50-L318 HydrophobicContact CD2-CD2 3.45Å; W50-L318 VanDerWaalsContact CD2-CD2 3.45Å; W50-L318 HydrophobicContact CD2-CG 4Å; W50-L318 VanDerWaalsContact CE2-CG 3.41Å; W50-L318 HydrophobicContact CE3-CD2 3.9Å; W50-L318 HydrophobicContact CG-CD1 4.15Å; W50-L318 HydrophobicContact CG-CD2 3.86Å; W50-L318 HydrophobicContact CG-CG 4.26Å; W50-L318 HydrophobicContact CH2-CD2 4.15Å; W50-L318 HydrophobicContact CZ2-CD2 3.72Å; W50-L318 HydrophobicContact CZ2-CG 3.74Å; W50-L318 HydrophobicContact CZ3-CD2 4.24Å; I58-L318 HydrophobicContact CD1-CD2 4.32Å; I58-L318 HydrophobicContact CG1-CD2 4.06Å; I58-L318 HydrophobicContact CG2-CD2 4.01Å |
| 319 | L | 87.8 | Confident | 73.7 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.5 | 179.7 | -158.7 | 138.2 | 0 | 0 | 0 | 110.4 | V11 W50 Q276 H278 A285 L317 | V11-L319 HydrophobicContact CG2-CD1 3.9Å; V11-L319 HydrophobicContact CG2-CG 4.2Å; W50-L319 PolarHBondContact NE1-O 3.35Å; Q276-L319 VanDerWaalsContact CD-N 3.3Å; Q276-L319 HydrophobicContact CG-CB 4.1Å; H278-L319 HydrophobicContact CB-CD2 3.76Å; H278-L319 WeakPolarHBondContact CD2-CD2 3.3Å; A285-L319 HydrophobicContact CB-CD1 3.48Å; A285-L319 VanDerWaalsContact CB-CD1 3.48Å; L317-L319 HydrophobicContact CD2-CB 4.39Å |
| 320 | S | 83.1 | Confident | 71.4 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | trans | -79.1 | 124.3 | 173.5 | 165.6 | 0 | 0 | 0 | 0 | 109 | H10 E55 R322 | H10-S320 WeakPolarHBondContact O-CB 3.09Å; H10-S320 PolarHBondContact O-N 3.36Å; E55-S320 WeakPolarHBondContact OE2-CA 3.46Å; E55-S320 VanDerWaalsContact OE2-CB 3.25Å; E55-S320 WeakPolarHBondContact OE2-CB 3.46Å; E55-S320 PolarHBondContact OE2-OG 3.4Å; S320-R322 VanDerWaalsContact C-N 3.29Å; S320-R322 PolarHBondContact OG-N 3.46Å | ||
| 321 | G | 70.6 | Confident | 69.2 | Low | 14 Ų | 14 | 67.4 Ų | 67.4 | 14% | 0.144 | 34% | 0.336 | C | S | . | . | trans | -82.9 | 9 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | E55 P279 D323 | E55-G321 VanDerWaalsContact OE1-CA 3.22Å; E55-G321 WeakPolarHBondContact OE1-CA 3.29Å; E55-G321 PolarHBondContact OE1-N 2.93Å; E55-G321 PolarHBondContact OE2-N 3.4Å; P279-G321 VanDerWaalsContact CG-CA 3.45Å; G321-D323 PolarHBondContact O-N 3.39Å | ||
| 322 | R | 70.1 | Confident | 66.8 | Low | 88 Ų | 88 | 65.2 Ų | 65.2 | 33% | 0.332 | 34% | 0.338 | S | S | . | . | trans | -54.8 | 113.7 | 170 | -76.6 | 169.1 | -167.3 | -161.5 | 3.7 | 110 | R7 E55 S320 N324 | R7-R322 PolarHBondContact O-NH1 2.77Å; E55-R322 PolarHBondContact O-NH2 3.42Å; E55-R322 WeakPolarHBondContact OE2-CG 3.07Å; E55-R322 IonicContact OE2-NE 2.81Å; S320-R322 VanDerWaalsContact C-N 3.29Å; S320-R322 PolarHBondContact OG-N 3.46Å; R322-N324 PolarHBondContact O-N 2.85Å | ||
| 323 | D | 55.2 | Low | 64.4 | Low | 94 Ų | 94 | 71.1 Ų | 71.1 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -63.7 | -32.7 | -178.5 | -76.5 | -38.2 | 0 | 0 | 0 | 112.3 | H278 S280 K281 G321 W325 | H278-D323 IonicContact CE1-OD1 3.75Å; S280-D323 WeakPolarHBondContact CB-OD1 2.68Å; S280-D323 PolarHBondContact OG-OD1 3.21Å; K281-D323 WeakPolarHBondContact CE-O 3.43Å; K281-D323 PolarHBondContact NZ-O 2.84Å; G321-D323 PolarHBondContact O-N 3.39Å; D323-W325 PolarHBondContact O-N 3.26Å |
| 324 | N | 52.9 | Low | 62 | Low | 100 Ų | 100 | 75.5 Ų | 75.5 | 54% | 0.535 | 38% | 0.384 | S | S | . | . | trans | -88.8 | 99.5 | 176.7 | -69.4 | 16 | 0 | 0 | 0 | 109.3 | R322 E326 | R322-N324 PolarHBondContact O-N 2.85Å; N324-E326 HydrophobicContact CB-CB 4.04Å; N324-E326 HydrophobicContact CB-CG 3.9Å; N324-E326 VanDerWaalsContact ND2-CD 3.32Å; N324-E326 PolarHBondContact ND2-OE2 2.84Å; N324-E326 PolarHBondContact O-N 2.94Å | ||
| 325 | W | 56.1 | Low | 59.5 | Low | 51 Ų | 51 | 81 Ų | 81 | 19% | 0.193 | 42% | 0.42 | C | S | . | . | trans | -77.3 | 33.8 | 150.8 | -60 | -8.6 | 0 | 0 | 0 | 109.3 | H10 L25 Q26 L283 D323 | H10-W325 AromaticContact CE1-CD1 3.53Å; H10-W325 AromaticContact CE1-CG 3.82Å; H10-W325 AromaticContact CG-NE1 3.9Å; H10-W325 AromaticContact ND1-CD1 3.49Å; H10-W325 AromaticContact ND1-NE1 3.77Å; H10-W325 AromaticContact NE2-CG 3.98Å; L25-W325 HydrophobicContact CD1-CH2 3.89Å; L25-W325 HydrophobicContact CD1-CZ2 3.84Å; Q26-W325 PolarHBondContact NE2-O 3.33Å; L283-W325 HydrophobicContact CD1-CH2 3.32Å; L283-W325 HydrophobicContact CD1-CZ2 3.64Å; L283-W325 HydrophobicContact CD1-CZ3 4.27Å; D323-W325 PolarHBondContact O-N 3.26Å | ||
| 326 | E | 46.2 | Very low | 57.1 | Low | 140 Ų | 140 | 86 Ų | 86 | 65% | 0.654 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 142.7 | -178.1 | -70.1 | -178.4 | 160.1 | 0 | 0 | 110 | N324 | N324-E326 HydrophobicContact CB-CB 4.04Å; N324-E326 HydrophobicContact CB-CG 3.9Å; N324-E326 VanDerWaalsContact ND2-CD 3.32Å; N324-E326 PolarHBondContact ND2-OE2 2.84Å; N324-E326 PolarHBondContact O-N 2.94Å |
| 327 | D | 45.7 | Very low | 54.9 | Low | 126 Ų | 126 | 94.8 Ų | 94.8 | 67% | 0.674 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 143.4 | -167.3 | -60.2 | -57.2 | 0 | 0 | 0 | 112.6 | ||
| 328 | E | 44 | Very low | 52.5 | Low | 42 Ų | 42 | 99.6 Ų | 99.6 | 20% | 0.196 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 136.6 | 141.1 | -87.3 | -155.9 | 108.6 | 0 | 0 | 107.7 | W8 R27 Q330 | W8-E328 HydrophobicContact CD2-CG 3.6Å; W8-E328 HydrophobicContact CE3-CG 3.8Å; W8-E328 HydrophobicContact CG-CG 4.43Å; W8-E328 HydrophobicContact CH2-CG 3.51Å; W8-E328 WeakPolarHBondContact CH2-OE1 3.38Å; W8-E328 WeakPolarHBondContact CH2-OE2 3.22Å; W8-E328 HydrophobicContact CZ2-CG 3.16Å; W8-E328 WeakPolarHBondContact CZ2-OE1 3.05Å; W8-E328 HydrophobicContact CZ3-CG 3.74Å; W8-E328 VanDerWaalsContact CZ3-OE1 3.29Å; W8-E328 WeakPolarHBondContact CZ3-OE1 3.3Å; W8-E328 WeakPolarHBondContact CZ3-OE2 3.28Å; R27-E328 IonicContact CZ-OE2 3.88Å; R27-E328 IonicContact NH1-OE2 3.95Å; R27-E328 IonicContact NH2-OE2 3.69Å; R27-E328 PolarHBondContact NH2-OE2 3.24Å; E328-Q330 PolarHBondContact O-N 3.23Å |
| 329 | P | 43.7 | Very low | 50 | Low | 114 Ų | 114 | 104.3 Ų | 104.3 | 74% | 0.74 | 54% | 0.544 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 120.8 | 155.3 | 22.9 | -29 | 0 | 0 | 0 | 105.8 | E331 | P329-E331 PolarHBondContact O-N 3.45Š|
| 330 | Q | 41.6 | Very low | 47.8 | Very low | 160 Ų | 160 | 111.3 Ų | 111.3 | 75% | 0.748 | 58% | 0.581 | S | S | * | * | trans | -47.1 | 113.8 | 168.7 | -77.7 | 176.7 | -24.2 | 0 | 0 | 104.9 | E328 P332 | E328-Q330 PolarHBondContact O-N 3.23Å; Q330-P332 WeakPolarHBondContact O-CD 3.49Å | ||
| 331 | E | 40.7 | Very low | 45.9 | Very low | 158 Ų | 158 | 119 Ų | 119 | 74% | 0.738 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -46.3 | 122.6 | 161.1 | -77.7 | -176.4 | 160.6 | 0 | 0 | 103.7 | P329 Q333 | P329-E331 PolarHBondContact O-N 3.45Å; E331-Q333 PolarHBondContact O-N 2.81Å |
| 332 | P | 36.6 | Very low | 44.8 | Very low | 116 Ų | 116 | 123.2 Ų | 123.2 | 75% | 0.753 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 116.9 | -179.4 | 17.4 | -28.1 | 0 | 0 | 0 | 104.7 | Q330 E334 | Q330-P332 WeakPolarHBondContact O-CD 3.49Å; P332-E334 PolarHBondContact O-N 2.9Å |
| 333 | Q | 38.5 | Very low | 43.9 | Very low | 150 Ų | 150 | 123.6 Ų | 123.6 | 70% | 0.701 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -47.4 | 116.6 | 168.7 | -69.1 | 180 | -7.2 | 0 | 0 | 103.2 | E331 | E331-Q333 PolarHBondContact O-N 2.81Š|
| 334 | E | 38.7 | Very low | 43.8 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 76% | 0.757 | 66% | 0.659 | S | S | * | * | trans | -44.8 | 120.1 | 167.1 | -78.1 | -171.5 | 165.4 | 0 | 0 | 103.7 | P332 N336 | P332-E334 PolarHBondContact O-N 2.9Å; E334-N336 PolarHBondContact O-N 2.86Å | ||
| 335 | P | 38.1 | Very low | 43.9 | Very low | 116 Ų | 116 | 125 Ų | 125 | 75% | 0.753 | 65% | 0.653 | S | S | * | * | trans | -48.6 | 122.4 | -171.5 | 18.7 | -30.9 | 0 | 0 | 0 | 104.9 | K337 | P335-K337 PolarHBondContact O-N 2.6Š| ||
| 336 | N | 40.3 | Very low | 44 | Very low | 134 Ų | 134 | 127.5 Ų | 127.5 | 72% | 0.717 | 67% | 0.671 | S | S | * | * | trans | -28.5 | 113.9 | 177.9 | -86.6 | -29.3 | 0 | 0 | 0 | 105.9 | E334 V338 | E334-N336 PolarHBondContact O-N 2.86Å; N336-V338 PolarHBondContact O-N 2.87Å | ||
| 337 | K | 41.4 | Very low | 44.8 | Very low | 190 Ų | 190 | 128 Ų | 128 | 83% | 0.826 | 67% | 0.673 | S | S | * | * | trans | -56.4 | 96.2 | 169 | -85.5 | -177.9 | 179.3 | 175.3 | 0 | 103.3 | P335 P339 | P335-K337 PolarHBondContact O-N 2.6Å; K337-P339 WeakPolarHBondContact O-CD 3.43Å | ||
| 338 | V | 41.3 | Very low | 45.6 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 71% | 0.709 | 67% | 0.669 | S | S | * | * | trans | -47.4 | 120.1 | 162.6 | -167.1 | 0 | 0 | 0 | 0 | 100.9 | N336 L340 | N336-V338 PolarHBondContact O-N 2.87Å; V338-L340 PolarHBondContact O-N 2.88Å | ||
| 339 | P | 37.8 | Very low | 46.3 | Very low | 109 Ų | 109 | 133.6 Ų | 133.6 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | trans | -48.6 | 118.4 | 168.7 | -18.7 | 29.5 | 0 | 0 | 0 | 104 | K337 E341 | K337-P339 WeakPolarHBondContact O-CD 3.43Å; P339-E341 VanDerWaalsContact C-N 3.34Å; P339-E341 PolarHBondContact O-N 2.87Å | ||
| 340 | L | 42.3 | Very low | 47.5 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 81% | 0.806 | 68% | 0.679 | S | S | * | * | trans | -49.3 | 115 | 167.3 | -81.7 | 148.3 | 0 | 0 | 0 | 103.4 | V338 D342 | V338-L340 PolarHBondContact O-N 2.88Å; L340-D342 PolarHBondContact O-N 2.79Å | ||
| 341 | E | 43.1 | Very low | 48.8 | Very low | 163 Ų | 163 | 127.3 Ų | 127.3 | 76% | 0.762 | 67% | 0.67 | S | S | * | * | trans | -56.7 | 99.1 | 170.6 | -77.3 | 176.6 | 159.5 | 0 | 0 | 104.4 | P339 T343 | P339-E341 VanDerWaalsContact C-N 3.34Å; P339-E341 PolarHBondContact O-N 2.87Å; E341-T343 PolarHBondContact O-N 2.77Å | ||
| 342 | D | 47.1 | Very low | 50 | Low | 104 Ų | 104 | 124.4 Ų | 124.4 | 56% | 0.556 | 66% | 0.66 | S | S | * | * | trans | -66.9 | 84.8 | 169.8 | -74.3 | -30.9 | 0 | 0 | 0 | 104.8 | L340 E344 T345 | L340-D342 PolarHBondContact O-N 2.79Å; D342-E344 PolarHBondContact O-N 2.96Å; D342-T345 HydrophobicContact CB-CG2 3.81Å; D342-T345 PolarHBondContact O-N 3.28Å; D342-T345 PolarHBondContact O-OG1 2.93Å | ||
| 343 | T | 50.5 | Low | 51.4 | Low | 95 Ų | 95 | 124.6 Ų | 124.6 | 58% | 0.583 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -53.7 | -21.8 | 178.2 | 48.8 | 0 | 0 | 0 | 0 | 111.8 | E341 E347 | E341-T343 PolarHBondContact O-N 2.77Å; T343-E347 WeakPolarHBondContact O-CG 3.49Å; T343-E347 PolarHBondContact O-N 3.44Å |
| 344 | E | 53.3 | Low | 52.7 | Low | 157 Ų | 157 | 119.6 Ų | 119.6 | 73% | 0.734 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.9 | -28.6 | 174.1 | -60.2 | -172.4 | 167.9 | 0 | 0 | 113.2 | D342 L348 | D342-E344 PolarHBondContact O-N 2.96Å; E344-L348 WeakPolarHBondContact O-CB 3.36Å; E344-L348 PolarHBondContact O-N 2.97Å |
| 345 | T | 54.6 | Low | 54 | Low | 66 Ų | 66 | 114.4 Ų | 114.4 | 41% | 0.405 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -79.1 | -37.8 | 179.5 | 61.8 | 0 | 0 | 0 | 0 | 112.2 | D342 L348 W349 | D342-T345 HydrophobicContact CB-CG2 3.81Å; D342-T345 PolarHBondContact O-N 3.28Å; D342-T345 PolarHBondContact O-OG1 2.93Å; T345-L348 PolarHBondContact O-N 3.49Å; T345-W349 PolarHBondContact O-N 3.28Å |
| 346 | D | 58.9 | Low | 55.2 | Low | 105 Ų | 105 | 111.2 Ų | 111.2 | 56% | 0.561 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -70 | -36.1 | 177 | -77.2 | -23 | 0 | 0 | 0 | 112.4 | L348 W349 A350 | D346-L348 VanDerWaalsContact C-N 3.33Å; D346-W349 PolarHBondContact O-N 3.38Å; D346-A350 WeakPolarHBondContact O-CB 3.47Å; D346-A350 PolarHBondContact O-N 3.45Å |
| 347 | E | 63.7 | Low | 56.4 | Low | 149 Ų | 149 | 111.5 Ų | 111.5 | 70% | 0.696 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -65.9 | -36 | 171.7 | -74.3 | -174.5 | 175.5 | 0 | 0 | 112.1 | T343 S351 | T343-E347 WeakPolarHBondContact O-CG 3.49Å; T343-E347 PolarHBondContact O-N 3.44Å; E347-S351 WeakPolarHBondContact O-CB 3.45Å; E347-S351 PolarHBondContact O-N 3.05Å |
| 348 | L | 61.1 | Low | 57.2 | Low | 113 Ų | 113 | 111.2 Ų | 111.2 | 59% | 0.592 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.7 | -40.7 | 176.4 | -127.7 | 113.6 | 0 | 0 | 0 | 112.1 | E344 T345 D346 S351 L352 | E344-L348 WeakPolarHBondContact O-CB 3.36Å; E344-L348 PolarHBondContact O-N 2.97Å; T345-L348 PolarHBondContact O-N 3.49Å; D346-L348 VanDerWaalsContact C-N 3.33Å; L348-S351 PolarHBondContact O-N 3.01Å; L348-L352 PolarHBondContact O-N 3.29Å |
| 349 | W | 59.8 | Low | 58 | Low | 174 Ų | 174 | 113.1 Ų | 113.1 | 66% | 0.659 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.8 | -38.5 | 176.4 | -80.6 | 112.4 | 0 | 0 | 0 | 112.4 | T345 D346 S351 L352 E353 | T345-W349 PolarHBondContact O-N 3.28Å; D346-W349 PolarHBondContact O-N 3.38Å; W349-S351 PolarHBondContact O-N 2.75Å; W349-L352 PolarHBondContact O-N 2.8Å; W349-E353 PolarHBondContact O-N 2.99Å |
| 350 | A | 67.9 | Low | 58.8 | Low | 61 Ų | 61 | 113 Ų | 113 | 50% | 0.504 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.6 | -38.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D346 A354 | D346-A350 WeakPolarHBondContact O-CB 3.47Å; D346-A350 PolarHBondContact O-N 3.45Å; A350-A354 WeakPolarHBondContact O-CB 3.4Å; A350-A354 PolarHBondContact O-N 3.34Å |
| 351 | S | 68.7 | Low | 59.2 | Low | 80 Ų | 80 | 108 Ų | 108 | 56% | 0.559 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.7 | -42.8 | 173.2 | 168.3 | 0 | 0 | 0 | 0 | 112.2 | E347 L348 W349 A354 A355 | E347-S351 WeakPolarHBondContact O-CB 3.45Å; E347-S351 PolarHBondContact O-N 3.05Å; L348-S351 PolarHBondContact O-N 3.01Å; W349-S351 PolarHBondContact O-N 2.75Å; S351-A354 PolarHBondContact O-N 3.07Å; S351-A355 WeakPolarHBondContact O-CB 3.37Å; S351-A355 PolarHBondContact O-N 3.11Å |
| 352 | L | 66.9 | Low | 59.8 | Low | 98 Ų | 98 | 105.1 Ų | 105.1 | 51% | 0.513 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.7 | -40.1 | 177.4 | -105.3 | 140.6 | 0 | 0 | 0 | 112.8 | L348 W349 A355 A356 | L348-L352 PolarHBondContact O-N 3.29Å; W349-L352 PolarHBondContact O-N 2.8Å; L352-A355 PolarHBondContact O-N 3.5Å; L352-A356 WeakPolarHBondContact O-CB 3.5Å; L352-A356 PolarHBondContact O-N 3.38Å |
| 353 | E | 64.8 | Low | 60 | Low | 119 Ų | 119 | 105 Ų | 105 | 56% | 0.556 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.3 | -37.8 | 174.7 | -78.6 | -163.1 | 167.6 | 0 | 0 | 112.9 | W349 A356 K357 | W349-E353 PolarHBondContact O-N 2.99Å; E353-A356 PolarHBondContact O-N 2.96Å; E353-K357 WeakPolarHBondContact O-CG 3.49Å; E353-K357 PolarHBondContact O-N 3.35Å |
| 354 | A | 67.4 | Low | 60.1 | Low | 46 Ų | 46 | 107.2 Ų | 107.2 | 38% | 0.38 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.3 | -37.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A350 S351 R358 | A350-A354 WeakPolarHBondContact O-CB 3.4Å; A350-A354 PolarHBondContact O-N 3.34Å; S351-A354 PolarHBondContact O-N 3.07Å; A354-R358 PolarHBondContact O-N 3.4Å; A354-R358 VanDerWaalsContact O-N 3.11Å |
| 355 | A | 65.6 | Low | 60.1 | Low | 52 Ų | 52 | 106.7 Ų | 106.7 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -68.4 | -36.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | S351 L352 K359 | S351-A355 WeakPolarHBondContact O-CB 3.37Å; S351-A355 PolarHBondContact O-N 3.11Å; L352-A355 PolarHBondContact O-N 3.5Å; A355-K359 PolarHBondContact O-N 3.03Å |
| 356 | A | 63.8 | Low | 59.8 | Low | 50 Ų | 50 | 107.5 Ų | 107.5 | 41% | 0.413 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -67.7 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L352 E353 K359 L360 | L352-A356 WeakPolarHBondContact O-CB 3.5Å; L352-A356 PolarHBondContact O-N 3.38Å; E353-A356 PolarHBondContact O-N 2.96Å; A356-K359 PolarHBondContact O-N 3.28Å; A356-L360 PolarHBondContact O-N 3.46Å |
| 357 | K | 65.1 | Low | 59.3 | Low | 140 Ų | 140 | 109.1 Ų | 109.1 | 61% | 0.609 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -65.6 | -36.2 | 175.9 | -76.6 | 172.3 | -179 | 161.2 | 0 | 112.8 | E353 L360 S361 | E353-K357 WeakPolarHBondContact O-CG 3.49Å; E353-K357 PolarHBondContact O-N 3.35Å; K357-L360 PolarHBondContact O-N 3.03Å; K357-S361 PolarHBondContact O-N 3.3Å; K357-S361 PolarHBondContact O-OG 2.96Å |
| 358 | R | 58.4 | Low | 58.4 | Low | 184 Ų | 184 | 104.6 Ų | 104.6 | 69% | 0.694 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.2 | -38.4 | 172.8 | -79.3 | 178.8 | -178.8 | 154.5 | 1.7 | 112.9 | A354 L360 S361 D362 | A354-R358 PolarHBondContact O-N 3.4Å; A354-R358 VanDerWaalsContact O-N 3.11Å; R358-L360 VanDerWaalsContact C-N 3.35Å; R358-S361 WeakPolarHBondContact CA-OG 3.41Å; R358-S361 PolarHBondContact O-N 3.37Å; R358-S361 PolarHBondContact O-OG 3.15Å; R358-D362 PolarHBondContact O-N 3.4Å; R358-D362 VanDerWaalsContact O-N 3.17Å |
| 359 | K | 56.8 | Low | 57.6 | Low | 156 Ų | 156 | 102.8 Ų | 102.8 | 68% | 0.678 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.9 | -33.6 | 174.6 | -78.5 | -175.2 | 176.1 | -180 | 0 | 112.8 | A355 A356 L363 | A355-K359 PolarHBondContact O-N 3.03Å; A356-K359 PolarHBondContact O-N 3.28Å; K359-L363 WeakPolarHBondContact O-CD1 3.47Å; K359-L363 PolarHBondContact O-N 3.32Å |
| 360 | L | 54.6 | Low | 56.9 | Low | 106 Ų | 106 | 101.5 Ų | 101.5 | 56% | 0.555 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.4 | -39.6 | 174.7 | -83.5 | 151.8 | 0 | 0 | 0 | 112.2 | A356 K357 R358 D362 L363 E364 | A356-L360 PolarHBondContact O-N 3.46Å; K357-L360 PolarHBondContact O-N 3.03Å; R358-L360 VanDerWaalsContact C-N 3.35Å; L360-D362 PolarHBondContact O-N 3.06Å; L360-L363 PolarHBondContact O-N 3.47Å; L360-E364 PolarHBondContact O-N 3.07Å |
| 361 | S | 52.1 | Low | 55.7 | Low | 49 Ų | 49 | 107 Ų | 107 | 34% | 0.343 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67 | -34.5 | 175.5 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | K357 R358 L363 E364 Q365 | K357-S361 PolarHBondContact O-N 3.3Å; K357-S361 PolarHBondContact O-OG 2.96Å; R358-S361 WeakPolarHBondContact CA-OG 3.41Å; R358-S361 PolarHBondContact O-N 3.37Å; R358-S361 PolarHBondContact O-OG 3.15Å; S361-L363 VanDerWaalsContact C-N 3.35Å; S361-E364 PolarHBondContact O-N 3.49Å; S361-Q365 WeakPolarHBondContact O-CG 3.4Å; S361-Q365 PolarHBondContact O-N 3.32Å |
| 362 | D | 54.5 | Low | 54.5 | Low | 103 Ų | 103 | 109.1 Ų | 109.1 | 55% | 0.551 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.1 | -29.6 | 175 | -79 | -15.7 | 0 | 0 | 0 | 112.4 | R358 L360 T366 | R358-D362 PolarHBondContact O-N 3.4Å; R358-D362 VanDerWaalsContact O-N 3.17Å; L360-D362 PolarHBondContact O-N 3.06Å; D362-T366 PolarHBondContact O-N 3.07Å; D362-T366 PolarHBondContact O-OG1 3.06Å |
| 363 | L | 52.4 | Low | 53.4 | Low | 102 Ų | 102 | 115.8 Ų | 115.8 | 53% | 0.534 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -75.3 | -33.9 | 173.8 | -87.6 | 156.5 | 0 | 0 | 0 | 112.8 | K359 L360 S361 T366 Q367 | K359-L363 WeakPolarHBondContact O-CD1 3.47Å; K359-L363 PolarHBondContact O-N 3.32Å; L360-L363 PolarHBondContact O-N 3.47Å; S361-L363 VanDerWaalsContact C-N 3.35Å; L363-T366 WeakPolarHBondContact CA-OG1 3.47Å; L363-T366 PolarHBondContact O-OG1 3.47Å; L363-T366 VanDerWaalsContact O-OG1 3.07Å; L363-Q367 WeakPolarHBondContact O-CG 3.46Å; L363-Q367 PolarHBondContact O-N 3.21Å |
| 364 | E | 52.6 | Low | 52.2 | Low | 141 Ų | 141 | 122.1 Ų | 122.1 | 66% | 0.659 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -75.2 | -34.9 | 175.4 | -74 | -177.8 | 159.9 | 0 | 0 | 112.5 | L360 S361 T366 Q367 G368 | L360-E364 PolarHBondContact O-N 3.07Å; S361-E364 PolarHBondContact O-N 3.49Å; E364-T366 VanDerWaalsContact C-N 3.35Å; E364-T366 PolarHBondContact O-N 2.82Å; E364-Q367 PolarHBondContact O-N 3.17Å; E364-G368 PolarHBondContact O-N 2.86Å; E364-G368 VanDerWaalsContact O-N 3.15Å |
| 365 | Q | 51.7 | Low | 50.7 | Low | 146 Ų | 146 | 131.7 Ų | 131.7 | 68% | 0.682 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.2 | -32.1 | 174.3 | -75.2 | -174.1 | 4.7 | 0 | 0 | 113 | S361 | S361-Q365 WeakPolarHBondContact O-CG 3.4Å; S361-Q365 PolarHBondContact O-N 3.32Å |
| 366 | T | 49.6 | Very low | 49.5 | Very low | 84 Ų | 84 | 139.1 Ų | 139.1 | 52% | 0.515 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -76.2 | -26.8 | 176.3 | 41.4 | 0 | 0 | 0 | 0 | 113.2 | D362 L363 E364 | D362-T366 PolarHBondContact O-N 3.07Å; D362-T366 PolarHBondContact O-OG1 3.06Å; L363-T366 WeakPolarHBondContact CA-OG1 3.47Å; L363-T366 PolarHBondContact O-OG1 3.47Å; L363-T366 VanDerWaalsContact O-OG1 3.07Å; E364-T366 VanDerWaalsContact C-N 3.35Å; E364-T366 PolarHBondContact O-N 2.82Å |
| 367 | Q | 47.5 | Very low | 48.1 | Very low | 139 Ų | 139 | 146.5 Ų | 146.5 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -79.5 | -31.2 | 173.6 | -71.1 | -171.7 | 6.3 | 0 | 0 | 113.5 | L363 E364 A369 L370 | L363-Q367 WeakPolarHBondContact O-CG 3.46Å; L363-Q367 PolarHBondContact O-N 3.21Å; E364-Q367 PolarHBondContact O-N 3.17Å; Q367-A369 VanDerWaalsContact C-N 3.28Å; Q367-A369 PolarHBondContact O-N 3.18Å; Q367-L370 PolarHBondContact O-N 3.33Å |
| 368 | G | 44.6 | Very low | 46.7 | Very low | 53 Ų | 53 | 149.5 Ų | 149.5 | 55% | 0.546 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -65 | -26.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E364 | E364-G368 PolarHBondContact O-N 2.86Å; E364-G368 VanDerWaalsContact O-N 3.15Å |
| 369 | A | 45.2 | Very low | 45.5 | Very low | 75 Ų | 75 | 152.5 Ų | 152.5 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -14.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q367 | Q367-A369 VanDerWaalsContact C-N 3.28Å; Q367-A369 PolarHBondContact O-N 3.18Å |
| 370 | L | 43.7 | Very low | 44.6 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 78% | 0.775 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -11.8 | -178.4 | -98.5 | 133.9 | 0 | 0 | 0 | 114.2 | Q367 | Q367-L370 PolarHBondContact O-N 3.33Š|
| 371 | Q | 43.3 | Very low | 43.7 | Very low | 177 Ų | 177 | 149.4 Ų | 149.4 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -4.4 | -179.4 | -72.4 | -167.3 | -4.3 | 0 | 0 | 115.4 | ||
| 372 | T | 43.7 | Very low | 42.9 | Very low | 124 Ų | 124 | 152.2 Ų | 152.2 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | 18.5 | 179.5 | 34.9 | 0 | 0 | 0 | 0 | 115.5 | ||
| 373 | R | 44.9 | Very low | 41.9 | Very low | 237 Ų | 237 | 153.4 Ų | 153.4 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | trans | -131.9 | 67.3 | 172.1 | -97.4 | -175.2 | 161 | -169.3 | -2.3 | 113.3 | ||||
| 374 | R | 37.8 | Very low | 41.1 | Very low | 252 Ų | 252 | 153.8 Ų | 153.8 | 95% | 0.951 | 78% | 0.776 | S | S | * | * | trans | -125.6 | 99.7 | 153.1 | -88.7 | -173 | 165.4 | -176 | -3.5 | 110.9 | ||||
| 375 | R | 37.8 | Very low | 41.4 | Very low | 247 Ų | 247 | 156.6 Ų | 156.6 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | trans | -62.8 | 140 | 175.2 | -86.7 | 174.9 | 153.4 | 177.7 | -7.3 | 111.6 | ||||
| 376 | K | 38.6 | Very low | 40.9 | Very low | 208 Ų | 208 | 157.2 Ų | 157.2 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | trans | -41.2 | 129.8 | 160.9 | -71.3 | 171.3 | 172.4 | 173.3 | 0 | 112.3 | ||||
| 377 | K | 36 | Very low | 40.4 | Very low | 206 Ų | 206 | 161 Ų | 161 | 90% | 0.896 | 83% | 0.829 | S | S | * | * | trans | -127.4 | 116.4 | 151.8 | -111.1 | -177.8 | 177.9 | -178.6 | 0 | 108.4 | ||||
| 378 | K | 34.3 | Very low | 40 | Very low | 203 Ų | 203 | 162.2 Ų | 162.2 | 88% | 0.883 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 140.8 | 176.3 | -71.7 | 177.3 | 171.7 | -177.7 | 0 | 110.1 | ||
| 379 | W | 33.7 | Very low | 39.7 | Very low | 246 Ų | 246 | 168.6 Ų | 168.6 | 93% | 0.932 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 143.8 | 158.8 | -79 | 7.9 | 0 | 0 | 0 | 109.4 | ||
| 380 | P | 39 | Very low | 39.4 | Very low | 123 Ų | 123 | 174.5 Ų | 174.5 | 80% | 0.799 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 137 | 153.9 | 31.8 | -21.2 | 0 | 0 | 0 | 110.4 | ||
| 381 | G | 34.5 | Very low | 39.1 | Very low | 75 Ų | 75 | 176.3 Ų | 176.3 | 77% | 0.773 | 88% | 0.877 | S | S | * | * | trans | -66.6 | 174.5 | 160 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 382 | S | 35.4 | Very low | 38.8 | Very low | 107 Ų | 107 | 176.2 Ų | 176.2 | 75% | 0.748 | 88% | 0.881 | S | S | * | * | cis | -169.5 | 156.9 | 23.5 | 45.5 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 383 | T | 34.2 | Very low | 38.5 | Very low | 128 Ų | 128 | 180.2 Ų | 180.2 | 79% | 0.785 | 89% | 0.89 | S | S | * | * | 176.1 | 149.1 | 73.6 | 30 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 384 | S | 34.7 | Very low | 37.9 | Very low | 110 Ų | 110 | 175.5 Ų | 175.5 | 77% | 0.769 | 89% | 0.89 | S | S | * | * | trans | -57.1 | 178.7 | 163.8 | 25.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 385 | P | 59.1 | Low | 37.9 | Very low | 201 Ų | 201 | 168.5 Ų | 168.5 | 100% | 1.305 | 88% | 0.884 | S | S | * | * | cis | -111.7 | 0 | 8.1 | 30 | -12.6 | 0 | 0 | 0 | 116.8 |
Retrieved 385 of 385 residues in 658.4 ms
(Link to these results)