| 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 | 89.6 | Confident | 95.7 | Very high | 189 Ų | 189 | 80.5 Ų | 80.5 | 93% | 0.931 | 42% | 0.424 | S | S | * | . | 0 | 131.4 | 0 | -66 | -165.8 | -66.7 | 0 | 0 | 109.7 | G16 | M1-G16 CarbonylContact C-O 3.53Å; M1-G16 VanDerWaalsContact CA-O 3.22Å; M1-G16 WeakPolarHBondContact CA-O 3.37Å | |||
| 2 | C | 96.9 | Very high | 95.8 | Very high | 21 Ų | 21 | 75.3 Ų | 75.3 | 14% | 0.142 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 158.4 | -178.6 | 60.2 | 0 | 0 | 0 | 0 | 110.6 | S15 G16 | C2-S15 CarbonylContact O-C 3.56Å; C2-S15 WeakPolarHBondContact O-CA 3.13Å; C2-G16 PolarHBondContact N-O 3.35Å; C2-G16 PolarHBondContact O-N 3.24Å |
| 3 | T | 97.7 | Very high | 95.9 | Very high | 105 Ų | 105 | 71.2 Ų | 71.2 | 64% | 0.644 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 144.4 | 175.6 | 52.6 | 0 | 0 | 0 | 0 | 109.2 | Y14 | T3-Y14 CarbonylContact C-O 3.45Å; T3-Y14 VanDerWaalsContact CA-O 3.24Å; T3-Y14 WeakPolarHBondContact CA-O 3.4Å |
| 4 | E | 97.7 | Very high | 96 | Very high | 38 Ų | 38 | 66.6 Ų | 66.6 | 18% | 0.178 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 136 | 176.6 | -176.5 | 67.9 | 169 | 0 | 0 | 109.6 | Y14 L48 D50 L56 | E4-Y14 PolarHBondContact N-O 2.81Å; E4-Y14 PolarHBondContact O-N 2.82Å; E4-L48 HydrophobicContact CB-CB 3.74Å; E4-D50 HydrophobicContact CG-CB 3.9Å; E4-D50 PolarHBondContact OE1-N 3.02Å; E4-L56 HydrophobicContact CG-CD1 4.46Å |
| 5 | M | 97.1 | Very high | 96.2 | Very high | 90 Ų | 90 | 64.1 Ų | 64.1 | 44% | 0.443 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 140.7 | 174.2 | -65.4 | -68.6 | -76.4 | 0 | 0 | 109.6 | R7 V13 L27 | M5-R7 PolarHBondContact O-N 2.89Å; M5-V13 HydrophobicContact SD-CB 3.79Å; M5-V13 HydrophobicContact SD-CG2 3.75Å; M5-L27 HydrophobicContact CE-CD1 3.97Å |
| 6 | D | 96.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 60.6 Ų | 60.6 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | trans | -66.5 | 116.5 | 168.9 | -174.3 | -29 | 0 | 0 | 0 | 109 | N8 N9 I12 Y14 D50 K70 | D6-N8 PolarHBondContact O-N 2.74Å; D6-N8 WeakPolarHBondContact OD1-CA 3.47Å; D6-N8 PolarHBondContact OD1-N 2.78Å; D6-N9 HydrophobicContact CB-CB 4.26Å; D6-N9 CarbonylContact O-C 3.58Å; D6-N9 PolarHBondContact O-N 3.14Å; D6-N9 PolarHBondContact OD1-N 2.96Å; D6-I12 HydrophobicContact CB-CB 3.74Å; D6-I12 HydrophobicContact CB-CG2 3.98Å; D6-I12 PolarHBondContact N-O 2.76Å; D6-Y14 HydrophobicContact CB-CE2 3.77Å; D6-Y14 PolarHBondContact OD2-OH 2.82Å; D6-D50 WeakPolarHBondContact CA-OD2 3.19Å; D6-K70 IonicContact OD1-NZ 3.56Å; D6-K70 PolarHBondContact OD1-NZ 2.9Å; D6-K70 IonicContact OD2-NZ 3.81Å | ||
| 7 | R | 94.8 | Very high | 96.4 | Very high | 109 Ų | 109 | 57.5 Ų | 57.5 | 41% | 0.411 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -15.1 | -176.6 | -67.1 | -165.1 | -174 | -162.5 | 6.1 | 113.4 | M5 D50 A52 E94 | M5-R7 PolarHBondContact O-N 2.89Å; R7-D50 WeakPolarHBondContact CD-O 3.44Å; R7-D50 HydrophobicContact CG-CB 4.12Å; R7-D50 VanDerWaalsContact CZ-O 3.25Å; R7-D50 PolarHBondContact N-OD2 3.31Å; R7-D50 PolarHBondContact NE-O 2.92Å; R7-D50 PolarHBondContact NH2-O 2.69Å; R7-A52 HydrophobicContact CB-CB 4.16Å; R7-E94 IonicContact NH1-OE2 2.7Å |
| 8 | N | 94.1 | Very high | 96.5 | Very high | 82 Ų | 82 | 60.8 Ų | 60.8 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -6.9 | 177.8 | -59.1 | -20.2 | 0 | 0 | 0 | 112.3 | D6 S53 E54 K70 | D6-N8 PolarHBondContact O-N 2.74Å; D6-N8 WeakPolarHBondContact OD1-CA 3.47Å; D6-N8 PolarHBondContact OD1-N 2.78Å; N8-S53 PolarHBondContact ND2-O 3.44Å; N8-E54 PolarHBondContact ND2-OE1 2.95Å; N8-K70 PolarHBondContact ND2-NZ 3.34Å |
| 9 | N | 95.7 | Very high | 96.5 | Very high | 60 Ų | 60 | 61.3 Ų | 61.3 | 32% | 0.321 | 33% | 0.331 | S | S | . | . | trans | -146.9 | 101 | 179.5 | -171.5 | -19.5 | 0 | 0 | 0 | 112 | D6 F11 I12 | D6-N9 HydrophobicContact CB-CB 4.26Å; D6-N9 CarbonylContact O-C 3.58Å; D6-N9 PolarHBondContact O-N 3.14Å; D6-N9 PolarHBondContact OD1-N 2.96Å; N9-F11 PolarHBondContact O-N 3.17Å; N9-F11 PolarHBondContact OD1-N 2.91Å; N9-F11 VanDerWaalsContact OD1-N 3.17Å; N9-I12 HydrophobicContact CB-CB 4.35Å; N9-I12 HydrophobicContact CB-CG1 4.06Å; N9-I12 WeakPolarHBondContact ND2-CG1 3.38Å; N9-I12 PolarHBondContact O-N 3.1Å | ||
| 10 | A | 95.7 | Very high | 96.6 | Very high | 76 Ų | 76 | 60.3 Ų | 60.3 | 63% | 0.628 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -12.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 11 | F | 96.3 | Very high | 96.6 | Very high | 99 Ų | 99 | 59.4 Ų | 59.4 | 43% | 0.434 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -8 | 178.2 | -57.2 | -65.5 | 0 | 0 | 0 | 113.5 | N9 D26 L27 R28 | N9-F11 PolarHBondContact O-N 3.17Å; N9-F11 PolarHBondContact OD1-N 2.91Å; N9-F11 VanDerWaalsContact OD1-N 3.17Å; F11-D26 CarbonylContact O-C 3.56Å; F11-D26 WeakPolarHBondContact O-CA 3.34Å; F11-L27 WeakPolarHBondContact O-CG 3.4Å; F11-L27 PolarHBondContact O-N 3.16Å; F11-R28 HydrophobicContact CB-CG 4.08Å; F11-R28 HydrophobicContact CD1-CG 3.45Å; F11-R28 VanDerWaalsContact CD1-CG 3.45Å; F11-R28 HydrophobicContact CD2-CG 4.47Å; F11-R28 HydrophobicContact CE1-CG 3.95Å; F11-R28 HydrophobicContact CG-CG 3.74Å |
| 12 | I | 96.9 | Very high | 97.1 | Very high | 17 Ų | 17 | 50.4 Ų | 50.4 | 9% | 0.087 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 128.3 | -178.8 | -57.5 | -61.7 | 0 | 0 | 0 | 109.7 | D6 N9 Y14 W25 D26 L35 | D6-I12 HydrophobicContact CB-CB 3.74Å; D6-I12 HydrophobicContact CB-CG2 3.98Å; D6-I12 PolarHBondContact N-O 2.76Å; N9-I12 HydrophobicContact CB-CB 4.35Å; N9-I12 HydrophobicContact CB-CG1 4.06Å; N9-I12 WeakPolarHBondContact ND2-CG1 3.38Å; N9-I12 PolarHBondContact O-N 3.1Å; I12-Y14 HydrophobicContact CG2-CE1 3.98Å; I12-Y14 HydrophobicContact CG2-CE2 4.33Å; I12-W25 WeakPolarHBondContact CA-O 3.35Å; I12-D26 HydrophobicContact CD1-CB 4.26Å; I12-L35 HydrophobicContact CD1-CD1 3.66Å |
| 13 | V | 97.3 | Very high | 97.1 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 14% | 0.139 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.1 | 171.5 | 63.8 | 0 | 0 | 0 | 0 | 109.4 | M5 S24 W25 L27 | M5-V13 HydrophobicContact SD-CB 3.79Å; M5-V13 HydrophobicContact SD-CG2 3.75Å; V13-S24 CarbonylContact O-C 3.47Å; V13-S24 WeakPolarHBondContact O-CA 3.36Å; V13-W25 HydrophobicContact CG1-CB 3.69Å; V13-W25 HydrophobicContact CG1-CG 4.12Å; V13-W25 PolarHBondContact N-O 3.22Å; V13-W25 VanDerWaalsContact N-O 3.1Å; V13-W25 PolarHBondContact O-N 2.86Å; V13-L27 HydrophobicContact CG1-CD2 3.76Å; V13-L27 HydrophobicContact CG1-CG 4.26Å |
| 14 | Y | 98 | Very high | 97.1 | Very high | 6 Ų | 6 | 46.8 Ų | 46.8 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 143.5 | 172.3 | -51.7 | -73.6 | 0 | 0 | 0 | 109.8 | T3 E4 D6 I12 W22 K23 L56 K70 | T3-Y14 CarbonylContact C-O 3.45Å; T3-Y14 VanDerWaalsContact CA-O 3.24Å; T3-Y14 WeakPolarHBondContact CA-O 3.4Å; E4-Y14 PolarHBondContact N-O 2.81Å; E4-Y14 PolarHBondContact O-N 2.82Å; D6-Y14 HydrophobicContact CB-CE2 3.77Å; D6-Y14 PolarHBondContact OD2-OH 2.82Å; I12-Y14 HydrophobicContact CG2-CE1 3.98Å; I12-Y14 HydrophobicContact CG2-CE2 4.33Å; Y14-W22 HydrophobicContact CD1-CE3 4.28Å; Y14-W22 AromaticContact CD1-CZ3 3.91Å; Y14-W22 HydrophobicContact CD1-CZ3 3.91Å; Y14-W22 HydrophobicContact CE1-CZ3 4.29Å; Y14-K23 CarbonylContact C-O 3.56Å; Y14-K23 VanDerWaalsContact CA-O 3.23Å; Y14-K23 WeakPolarHBondContact CA-O 3.34Å; Y14-L56 HydrophobicContact CD1-CD2 3.79Å; Y14-L56 HydrophobicContact CD2-CD1 3.84Å; Y14-L56 HydrophobicContact CD2-CD2 4.02Å; Y14-L56 HydrophobicContact CE1-CD2 4.04Å; Y14-L56 HydrophobicContact CE2-CD1 4.17Å; Y14-L56 HydrophobicContact CE2-CD2 4.24Å; Y14-L56 HydrophobicContact CG-CD1 4.3Å; Y14-L56 HydrophobicContact CG-CD2 3.78Å; Y14-K70 HydrophobicContact CE2-CD 4.19Å; Y14-K70 VanDerWaalsContact OH-CD 3.23Å; Y14-K70 WeakPolarHBondContact OH-CD 3.47Å; Y14-K70 WeakPolarHBondContact OH-CG 3.38Å |
| 15 | S | 98.3 | Very high | 97.1 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 20% | 0.203 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 138.5 | 175.5 | 68.4 | 0 | 0 | 0 | 0 | 110.6 | C2 W22 K23 W25 L48 | C2-S15 CarbonylContact O-C 3.56Å; C2-S15 WeakPolarHBondContact O-CA 3.13Å; S15-W22 CarbonylContact O-C 3.41Å; S15-W22 WeakPolarHBondContact O-CA 3.36Å; S15-W22 WeakPolarHBondContact O-CB 3.26Å; S15-K23 PolarHBondContact N-O 2.9Å; S15-K23 PolarHBondContact O-N 3.02Å; S15-W25 PolarHBondContact OG-NE1 2.81Å; S15-L48 VanDerWaalsContact C-CD1 3.5Å |
| 16 | G | 98.4 | Very high | 97 | Very high | 8 Ų | 8 | 44.1 Ų | 44.1 | 8% | 0.082 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 149.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M1 C2 | M1-G16 CarbonylContact C-O 3.53Å; M1-G16 VanDerWaalsContact CA-O 3.22Å; M1-G16 WeakPolarHBondContact CA-O 3.37Å; C2-G16 PolarHBondContact N-O 3.35Å; C2-G16 PolarHBondContact O-N 3.24Å |
| 17 | G | 97.4 | Very high | 97 | Very high | 9 Ų | 9 | 47.7 Ų | 47.7 | 9% | 0.093 | 26% | 0.255 | C | S | . | . | trans | -153.3 | -174.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D19 Q21 G44 I45 | G17-D19 PolarHBondContact O-N 3.4Å; G17-Q21 PolarHBondContact N-O 2.7Å; G17-G44 CarbonylContact O-C 3.55Å; G17-G44 WeakPolarHBondContact O-CA 3.33Å; G17-I45 PolarHBondContact O-N 2.71Å | ||
| 18 | D | 97.7 | Very high | 97 | Very high | 116 Ų | 116 | 50 Ų | 50 | 62% | 0.62 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -5.5 | -175.5 | -56.9 | -11.3 | 0 | 0 | 0 | 112.6 | C20 | D18-C20 PolarHBondContact O-N 3.35Å; D18-C20 VanDerWaalsContact O-N 3.13Å |
| 19 | D | 97.5 | Very high | 97 | Very high | 71 Ų | 71 | 50.5 Ų | 50.5 | 38% | 0.38 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 13.3 | 174.4 | 66.6 | -15.7 | 0 | 0 | 0 | 113.7 | G17 Q21 K23 | G17-D19 PolarHBondContact O-N 3.4Å; D19-Q21 WeakPolarHBondContact O-CG 3.24Å; D19-Q21 PolarHBondContact O-N 3.27Å; D19-Q21 PolarHBondContact O-NE2 2.99Å; D19-Q21 PolarHBondContact OD1-N 3.18Å; D19-K23 IonicContact OD2-NZ 2.69Å; D19-K23 PolarHBondContact OD2-NZ 3.23Å |
| 20 | C | 97.9 | Very high | 96.6 | Very high | 40 Ų | 40 | 51.9 Ų | 51.9 | 27% | 0.27 | 28% | 0.278 | S | S | . | . | S | Bend | trans | 60.1 | 24.9 | -178.3 | -48.7 | 0 | 0 | 0 | 0 | 113.4 | D18 A43 | D18-C20 PolarHBondContact O-N 3.35Å; D18-C20 VanDerWaalsContact O-N 3.13Å; C20-A43 VanDerWaalsContact CA-O 3.3Å; C20-A43 WeakPolarHBondContact CA-O 3.4Å; C20-A43 WeakPolarHBondContact SG-CA 3.37Å |
| 21 | Q | 98 | Very high | 96 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | trans | -129.5 | 142.5 | -173.6 | -65.6 | 168.7 | 37.2 | 0 | 0 | 110.6 | G17 D19 V37 N38 K39 I45 | G17-Q21 PolarHBondContact N-O 2.7Å; D19-Q21 WeakPolarHBondContact O-CG 3.24Å; D19-Q21 PolarHBondContact O-N 3.27Å; D19-Q21 PolarHBondContact O-NE2 2.99Å; D19-Q21 PolarHBondContact OD1-N 3.18Å; Q21-V37 HydrophobicContact CB-CG1 4.35Å; Q21-V37 HydrophobicContact CG-CG1 4.21Å; Q21-N38 VanDerWaalsContact CA-O 3.27Å; Q21-N38 WeakPolarHBondContact CA-O 3.49Å; Q21-N38 WeakPolarHBondContact CB-O 3.44Å; Q21-N38 WeakPolarHBondContact CG-O 3.23Å; Q21-K39 HydrophobicContact CG-CG 4.06Å; Q21-I45 VanDerWaalsContact C-CG1 3.43Å; Q21-I45 VanDerWaalsContact O-CG1 3.3Å; Q21-I45 WeakPolarHBondContact O-CG1 3.49Å | ||
| 22 | W | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 148 | 156.2 | 67.7 | -98.5 | 0 | 0 | 0 | 110 | Y14 S15 Y36 N38 I45 L48 L56 C58 W68 L73 | Y14-W22 HydrophobicContact CD1-CE3 4.28Å; Y14-W22 AromaticContact CD1-CZ3 3.91Å; Y14-W22 HydrophobicContact CD1-CZ3 3.91Å; Y14-W22 HydrophobicContact CE1-CZ3 4.29Å; S15-W22 CarbonylContact O-C 3.41Å; S15-W22 WeakPolarHBondContact O-CA 3.36Å; S15-W22 WeakPolarHBondContact O-CB 3.26Å; W22-Y36 AromaticContact CH2-CD1 3.92Å; W22-Y36 HydrophobicContact CH2-CD1 3.92Å; W22-Y36 AromaticContact CH2-CE1 3.77Å; W22-Y36 HydrophobicContact CH2-CE1 3.77Å; W22-Y36 HydrophobicContact CZ2-CE1 4.1Å; W22-Y36 AromaticContact CZ3-CD1 3.97Å; W22-Y36 HydrophobicContact CZ3-CD1 3.97Å; W22-Y36 HydrophobicContact CZ3-CE1 4.21Å; W22-N38 HydrophobicContact CD2-CB 3.54Å; W22-N38 HydrophobicContact CE3-CB 4.25Å; W22-N38 HydrophobicContact CG-CB 3.79Å; W22-N38 HydrophobicContact CH2-CB 4.32Å; W22-N38 HydrophobicContact CZ2-CB 3.65Å; W22-N38 VanDerWaalsContact NE1-CB 3.28Å; W22-N38 PolarHBondContact NE1-OD1 3.1Å; W22-N38 WeakPolarHBondContact O-CB 3.27Å; W22-N38 PolarHBondContact O-N 2.98Å; W22-I45 HydrophobicContact CB-CG1 4.15Å; W22-I45 HydrophobicContact CB-CG2 4.35Å; W22-L48 HydrophobicContact CB-CD1 4.19Å; W22-L48 HydrophobicContact CB-CD2 4.04Å; W22-L48 HydrophobicContact CG-CD2 4.1Å; W22-L56 HydrophobicContact CE3-CD2 4.22Å; W22-L56 HydrophobicContact CH2-CD2 4.1Å; W22-L56 HydrophobicContact CZ2-CD2 4.43Å; W22-L56 HydrophobicContact CZ3-CD2 3.98Å; W22-C58 VanDerWaalsContact CD1-SG 3.51Å; W22-W68 HydrophobicContact CZ2-CB 4.47Å; W22-W68 AromaticContact CZ2-CD2 3.75Å; W22-W68 HydrophobicContact CZ2-CD2 3.75Å; W22-W68 HydrophobicContact CZ2-CE3 4.09Å; W22-W68 AromaticContact CZ2-CG 3.9Å; W22-W68 HydrophobicContact CZ2-CG 3.9Å; W22-W68 AromaticContact NE1-CE2 3.9Å; W22-W68 AromaticContact NE1-NE1 3.8Å; W22-L73 HydrophobicContact CH2-CD1 3.82Å; W22-L73 HydrophobicContact CH2-CD2 3.63Å; W22-L73 HydrophobicContact CH2-CG 4.19Å; W22-L73 HydrophobicContact CZ2-CD2 4.29Å; W22-L73 HydrophobicContact CZ3-CD1 4.23Å |
| 23 | K | 97.8 | Very high | 95.1 | Very high | 43 Ų | 43 | 67.2 Ų | 67.2 | 19% | 0.187 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 147.3 | -170.6 | -61.9 | 169.4 | -174.8 | 148.2 | 0 | 109.1 | Y14 S15 D19 W25 P34 Y36 V37 | Y14-K23 CarbonylContact C-O 3.56Å; Y14-K23 VanDerWaalsContact CA-O 3.23Å; Y14-K23 WeakPolarHBondContact CA-O 3.34Å; S15-K23 PolarHBondContact N-O 2.9Å; S15-K23 PolarHBondContact O-N 3.02Å; D19-K23 IonicContact OD2-NZ 2.69Å; D19-K23 PolarHBondContact OD2-NZ 3.23Å; K23-W25 HydrophobicContact CB-CZ2 3.87Å; K23-W25 HydrophobicContact CD-CH2 4.24Å; K23-W25 HydrophobicContact CD-CZ2 3.67Å; K23-W25 HydrophobicContact CG-CZ2 4.38Å; K23-P34 HydrophobicContact CB-CB 3.94Å; K23-P34 HydrophobicContact CD-CB 4.49Å; K23-P34 HydrophobicContact CD-CG 4.34Å; K23-P34 HydrophobicContact CG-CB 4.37Å; K23-P34 HydrophobicContact CG-CG 4.49Å; K23-Y36 VanDerWaalsContact CA-O 3.26Å; K23-Y36 WeakPolarHBondContact CA-O 3.23Å; K23-V37 HydrophobicContact CG-CG1 4.26Å; K23-V37 HydrophobicContact CG-CG2 4.2Å |
| 24 | S | 97.5 | Very high | 95.1 | Very high | 7 Ų | 7 | 67.3 Ų | 67.3 | 5% | 0.049 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 147.7 | 168 | 71.4 | 0 | 0 | 0 | 0 | 110.8 | V13 P34 L35 Y36 | V13-S24 CarbonylContact O-C 3.47Å; V13-S24 WeakPolarHBondContact O-CA 3.36Å; S24-P34 CarbonylContact O-C 3.54Å; S24-P34 WeakPolarHBondContact O-CA 3.39Å; S24-P34 WeakPolarHBondContact O-CB 3.36Å; S24-L35 PolarHBondContact O-N 3.22Å; S24-Y36 PolarHBondContact N-O 3.24Å; S24-Y36 WeakPolarHBondContact OG-CB 3.3Å; S24-Y36 PolarHBondContact OG-N 3.29Å |
| 25 | W | 97.6 | Very high | 94.9 | Very high | 54 Ų | 54 | 71.4 Ų | 71.4 | 21% | 0.205 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 145.1 | -175.3 | -45.3 | 83.2 | 0 | 0 | 0 | 109.8 | I12 V13 S15 K23 V31 P34 | I12-W25 WeakPolarHBondContact CA-O 3.35Å; V13-W25 HydrophobicContact CG1-CB 3.69Å; V13-W25 HydrophobicContact CG1-CG 4.12Å; V13-W25 PolarHBondContact N-O 3.22Å; V13-W25 VanDerWaalsContact N-O 3.1Å; V13-W25 PolarHBondContact O-N 2.86Å; S15-W25 PolarHBondContact OG-NE1 2.81Å; K23-W25 HydrophobicContact CB-CZ2 3.87Å; K23-W25 HydrophobicContact CD-CH2 4.24Å; K23-W25 HydrophobicContact CD-CZ2 3.67Å; K23-W25 HydrophobicContact CG-CZ2 4.38Å; W25-V31 HydrophobicContact CE3-CG1 4.05Å; W25-V31 HydrophobicContact CZ3-CG1 4.22Å; W25-P34 HydrophobicContact CD2-CB 4.07Å; W25-P34 HydrophobicContact CE3-CB 3.91Å; W25-P34 HydrophobicContact CH2-CB 4.02Å; W25-P34 HydrophobicContact CH2-CG 4.31Å; W25-P34 HydrophobicContact CZ2-CB 4.17Å; W25-P34 HydrophobicContact CZ3-CB 3.88Å; W25-P34 HydrophobicContact CZ3-CG 4.35Å |
| 26 | D | 96.2 | Very high | 94.8 | Very high | 18 Ų | 18 | 73.2 Ų | 73.2 | 10% | 0.096 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 115.8 | 168.9 | -166.8 | -39.7 | 0 | 0 | 0 | 108.9 | F11 I12 R28 L29 L35 | F11-D26 CarbonylContact O-C 3.56Å; F11-D26 WeakPolarHBondContact O-CA 3.34Å; I12-D26 HydrophobicContact CD1-CB 4.26Å; D26-R28 PolarHBondContact O-N 2.78Å; D26-R28 VanDerWaalsContact O-N 3.14Å; D26-R28 WeakPolarHBondContact OD1-CB 3.24Å; D26-R28 WeakPolarHBondContact OD1-CG 3.22Å; D26-R28 IonicContact OD1-CZ 3.76Å; D26-R28 PolarHBondContact OD1-N 2.94Å; D26-R28 IonicContact OD1-NE 2.89Å; D26-R28 PolarHBondContact OD1-NE 2.87Å; D26-R28 IonicContact OD1-NH2 3.48Å; D26-R28 IonicContact OD2-CZ 3.41Å; D26-R28 IonicContact OD2-NE 3.31Å; D26-R28 PolarHBondContact OD2-NE 3.03Å; D26-R28 IonicContact OD2-NH2 3.77Å; D26-R28 PolarHBondContact OD2-NH2 2.93Å; D26-L29 HydrophobicContact CB-CB 4.29Å; D26-L29 HydrophobicContact CB-CD1 3.87Å; D26-L29 HydrophobicContact CB-CG 3.89Å; D26-L29 PolarHBondContact O-N 2.86Å; D26-L35 HydrophobicContact CB-CD1 3.82Å; D26-L35 HydrophobicContact CB-CD2 4.21Å; D26-L35 HydrophobicContact CB-CG 4.06Å |
| 27 | L | 95.5 | Very high | 94.8 | Very high | 92 Ų | 92 | 75.3 Ų | 75.3 | 48% | 0.482 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -13.1 | -178.3 | -63.2 | 179.5 | 0 | 0 | 0 | 113.4 | M5 F11 V13 | M5-L27 HydrophobicContact CE-CD1 3.97Å; F11-L27 WeakPolarHBondContact O-CG 3.4Å; F11-L27 PolarHBondContact O-N 3.16Å; V13-L27 HydrophobicContact CG1-CD2 3.76Å; V13-L27 HydrophobicContact CG1-CG 4.26Å |
| 28 | R | 95.6 | Very high | 94.8 | Very high | 157 Ų | 157 | 75 Ų | 75 | 59% | 0.592 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -17 | 175.1 | -53.7 | 169.8 | -65.9 | 177.4 | 3.3 | 112.2 | F11 D26 | F11-R28 HydrophobicContact CB-CG 4.08Å; F11-R28 HydrophobicContact CD1-CG 3.45Å; F11-R28 VanDerWaalsContact CD1-CG 3.45Å; F11-R28 HydrophobicContact CD2-CG 4.47Å; F11-R28 HydrophobicContact CE1-CG 3.95Å; F11-R28 HydrophobicContact CG-CG 3.74Å; D26-R28 PolarHBondContact O-N 2.78Å; D26-R28 VanDerWaalsContact O-N 3.14Å; D26-R28 WeakPolarHBondContact OD1-CB 3.24Å; D26-R28 WeakPolarHBondContact OD1-CG 3.22Å; D26-R28 IonicContact OD1-CZ 3.76Å; D26-R28 PolarHBondContact OD1-N 2.94Å; D26-R28 IonicContact OD1-NE 2.89Å; D26-R28 PolarHBondContact OD1-NE 2.87Å; D26-R28 IonicContact OD1-NH2 3.48Å; D26-R28 IonicContact OD2-CZ 3.41Å; D26-R28 IonicContact OD2-NE 3.31Å; D26-R28 PolarHBondContact OD2-NE 3.03Å; D26-R28 IonicContact OD2-NH2 3.77Å; D26-R28 PolarHBondContact OD2-NH2 2.93Å |
| 29 | L | 93.8 | Very high | 94.8 | Very high | 92 Ų | 92 | 76.6 Ų | 76.6 | 48% | 0.482 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -98 | 153.2 | -179.4 | -59.5 | -178.9 | 0 | 0 | 0 | 110.4 | D26 V31 L35 | D26-L29 HydrophobicContact CB-CB 4.29Å; D26-L29 HydrophobicContact CB-CD1 3.87Å; D26-L29 HydrophobicContact CB-CG 3.89Å; D26-L29 PolarHBondContact O-N 2.86Å; L29-V31 PolarHBondContact O-N 2.86Å; L29-L35 HydrophobicContact CD1-CD2 3.98Å |
| 30 | P | 87.2 | Confident | 94.8 | Very high | 90 Ų | 90 | 77.1 Ų | 77.1 | 58% | 0.584 | 37% | 0.366 | S | S | * | . | trans | -55.4 | 128.2 | 171.1 | -24 | 33.8 | 0 | 0 | 0 | 110.8 | R32 | P30-R32 PolarHBondContact O-N 2.86Š| ||
| 31 | V | 82.1 | Confident | 94.8 | Very high | 112 Ų | 112 | 75.6 Ų | 75.6 | 68% | 0.679 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 56.3 | -176.1 | -164.1 | 0 | 0 | 0 | 0 | 111.7 | W25 L29 | W25-V31 HydrophobicContact CE3-CG1 4.05Å; W25-V31 HydrophobicContact CZ3-CG1 4.22Å; L29-V31 PolarHBondContact O-N 2.86Å |
| 32 | R | 85.1 | Confident | 94.8 | Very high | 223 Ų | 223 | 78.3 Ų | 78.3 | 84% | 0.842 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -27.1 | 179.2 | -68.9 | -171 | 176.4 | 115 | -0.1 | 113 | P30 | P30-R32 PolarHBondContact O-N 2.86Š|
| 33 | K | 90.7 | Very high | 94.8 | Very high | 178 Ų | 178 | 79.5 Ų | 79.5 | 77% | 0.774 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -139.4 | 127.5 | -179.6 | -171.2 | -179.6 | 175 | -177.7 | 0 | 109.2 | ||
| 34 | P | 95.9 | Very high | 94.8 | Very high | 25 Ų | 25 | 77.8 Ų | 77.8 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | trans | -64.5 | 148.8 | 172.2 | 28.8 | -34.9 | 0 | 0 | 0 | 110.1 | K23 S24 W25 Y36 V37 | K23-P34 HydrophobicContact CB-CB 3.94Å; K23-P34 HydrophobicContact CD-CB 4.49Å; K23-P34 HydrophobicContact CD-CG 4.34Å; K23-P34 HydrophobicContact CG-CB 4.37Å; K23-P34 HydrophobicContact CG-CG 4.49Å; S24-P34 CarbonylContact O-C 3.54Å; S24-P34 WeakPolarHBondContact O-CA 3.39Å; S24-P34 WeakPolarHBondContact O-CB 3.36Å; W25-P34 HydrophobicContact CD2-CB 4.07Å; W25-P34 HydrophobicContact CE3-CB 3.91Å; W25-P34 HydrophobicContact CH2-CB 4.02Å; W25-P34 HydrophobicContact CH2-CG 4.31Å; W25-P34 HydrophobicContact CZ2-CB 4.17Å; W25-P34 HydrophobicContact CZ3-CB 3.88Å; W25-P34 HydrophobicContact CZ3-CG 4.35Å; P34-Y36 VanDerWaalsContact C-N 3.27Å; P34-V37 HydrophobicContact CB-CG2 4.2Å; P34-V37 HydrophobicContact CG-CG2 3.4Å | ||
| 35 | L | 95 | Very high | 94.9 | Very high | 93 Ų | 93 | 77.5 Ų | 77.5 | 49% | 0.487 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -62.2 | -40.3 | 171.6 | -72.8 | -177.2 | 0 | 0 | 0 | 110.8 | I12 S24 D26 L29 | I12-L35 HydrophobicContact CD1-CD1 3.66Å; S24-L35 PolarHBondContact O-N 3.22Å; D26-L35 HydrophobicContact CB-CD1 3.82Å; D26-L35 HydrophobicContact CB-CD2 4.21Å; D26-L35 HydrophobicContact CB-CG 4.06Å; L29-L35 HydrophobicContact CD1-CD2 3.98Å |
| 36 | Y | 96 | Very high | 94.9 | Very high | 67 Ų | 67 | 75.4 Ų | 75.4 | 26% | 0.263 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 148.9 | -179.4 | 176.4 | -99.2 | 0 | 0 | 0 | 110.9 | W22 K23 S24 P34 N38 L73 | W22-Y36 AromaticContact CH2-CD1 3.92Å; W22-Y36 HydrophobicContact CH2-CD1 3.92Å; W22-Y36 AromaticContact CH2-CE1 3.77Å; W22-Y36 HydrophobicContact CH2-CE1 3.77Å; W22-Y36 HydrophobicContact CZ2-CE1 4.1Å; W22-Y36 AromaticContact CZ3-CD1 3.97Å; W22-Y36 HydrophobicContact CZ3-CD1 3.97Å; W22-Y36 HydrophobicContact CZ3-CE1 4.21Å; K23-Y36 VanDerWaalsContact CA-O 3.26Å; K23-Y36 WeakPolarHBondContact CA-O 3.23Å; S24-Y36 PolarHBondContact N-O 3.24Å; S24-Y36 WeakPolarHBondContact OG-CB 3.3Å; S24-Y36 PolarHBondContact OG-N 3.29Å; P34-Y36 VanDerWaalsContact C-N 3.27Å; Y36-N38 HydrophobicContact CD1-CB 4.45Å; Y36-N38 HydrophobicContact CE1-CB 3.62Å; Y36-N38 PolarHBondContact OH-ND2 2.81Å; Y36-N38 VanDerWaalsContact OH-ND2 3.1Å; Y36-L73 HydrophobicContact CD1-CB 4.11Å; Y36-L73 HydrophobicContact CD1-CD1 3.66Å; Y36-L73 HydrophobicContact CD2-CB 4.39Å; Y36-L73 HydrophobicContact CE1-CB 3.78Å; Y36-L73 HydrophobicContact CE1-CD1 4.11Å; Y36-L73 HydrophobicContact CE2-CB 4.1Å; Y36-L73 HydrophobicContact CG-CB 4.4Å; Y36-L73 HydrophobicContact CG-CD1 3.98Å; Y36-L73 VanDerWaalsContact CZ-O 3.22Å; Y36-L73 PolarHBondContact OH-O 3.25Å |
| 37 | V | 97.4 | Very high | 94.9 | Very high | 51 Ų | 51 | 75 Ų | 75 | 31% | 0.309 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 115.8 | 175.7 | -177 | 0 | 0 | 0 | 0 | 108.1 | Q21 K23 P34 K39 | Q21-V37 HydrophobicContact CB-CG1 4.35Å; Q21-V37 HydrophobicContact CG-CG1 4.21Å; K23-V37 HydrophobicContact CG-CG1 4.26Å; K23-V37 HydrophobicContact CG-CG2 4.2Å; P34-V37 HydrophobicContact CB-CG2 4.2Å; P34-V37 HydrophobicContact CG-CG2 3.4Å; V37-K39 HydrophobicContact CG1-CG 4.27Å |
| 38 | N | 98.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 71.1 Ų | 71.1 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 140.9 | 172.6 | -163.2 | -87.7 | 0 | 0 | 0 | 110.8 | Q21 W22 Y36 F40 W68 | Q21-N38 VanDerWaalsContact CA-O 3.27Å; Q21-N38 WeakPolarHBondContact CA-O 3.49Å; Q21-N38 WeakPolarHBondContact CB-O 3.44Å; Q21-N38 WeakPolarHBondContact CG-O 3.23Å; W22-N38 HydrophobicContact CD2-CB 3.54Å; W22-N38 HydrophobicContact CE3-CB 4.25Å; W22-N38 HydrophobicContact CG-CB 3.79Å; W22-N38 HydrophobicContact CH2-CB 4.32Å; W22-N38 HydrophobicContact CZ2-CB 3.65Å; W22-N38 VanDerWaalsContact NE1-CB 3.28Å; W22-N38 PolarHBondContact NE1-OD1 3.1Å; W22-N38 WeakPolarHBondContact O-CB 3.27Å; W22-N38 PolarHBondContact O-N 2.98Å; Y36-N38 HydrophobicContact CD1-CB 4.45Å; Y36-N38 HydrophobicContact CE1-CB 3.62Å; Y36-N38 PolarHBondContact OH-ND2 2.81Å; Y36-N38 VanDerWaalsContact OH-ND2 3.1Å; N38-F40 WeakPolarHBondContact OD1-CB 3.43Å; N38-F40 PolarHBondContact OD1-N 2.67Å; N38-W68 WeakPolarHBondContact ND2-CH2 3.19Å; N38-W68 WeakPolarHBondContact ND2-CZ2 3.36Å; N38-W68 WeakPolarHBondContact ND2-CZ3 3.1Å |
| 39 | K | 97.6 | Very high | 95.2 | Very high | 150 Ų | 150 | 63.9 Ų | 63.9 | 65% | 0.652 | 33% | 0.325 | S | S | * | . | trans | -134.6 | 28.1 | 178.2 | -50.6 | -166.5 | 172.8 | -178.4 | 0 | 112.4 | Q21 V37 | Q21-K39 HydrophobicContact CG-CG 4.06Å; V37-K39 HydrophobicContact CG1-CG 4.27Å | ||
| 40 | F | 98 | Very high | 95.3 | Very high | 81 Ų | 81 | 59.5 Ų | 59.5 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | trans | -70.4 | -43 | -174.6 | 172.1 | -100.2 | 0 | 0 | 0 | 112.6 | N38 W68 P76 H79 | N38-F40 WeakPolarHBondContact OD1-CB 3.43Å; N38-F40 PolarHBondContact OD1-N 2.67Å; F40-W68 HydrophobicContact CB-CH2 3.6Å; F40-W68 HydrophobicContact CB-CZ2 3.56Å; F40-W68 HydrophobicContact CD1-CH2 4.49Å; F40-W68 AromaticContact CD1-CZ2 3.87Å; F40-W68 HydrophobicContact CD1-CZ2 3.87Å; F40-W68 HydrophobicContact CD2-CH2 4.29Å; F40-W68 HydrophobicContact CD2-CZ2 4.44Å; F40-W68 AromaticContact CG-CH2 3.88Å; F40-W68 HydrophobicContact CG-CH2 3.88Å; F40-W68 AromaticContact CG-CZ2 3.69Å; F40-W68 HydrophobicContact CG-CZ2 3.69Å; F40-P76 HydrophobicContact CD2-CG 4.04Å; F40-P76 HydrophobicContact CE1-CG 4.43Å; F40-P76 HydrophobicContact CE2-CG 3.7Å; F40-P76 HydrophobicContact CZ-CG 3.91Å; F40-H79 HydrophobicContact CE1-CB 4.31Å; F40-H79 HydrophobicContact CZ-CB 4.23Å; F40-H79 AromaticContact CZ-CD2 3.88Å; F40-H79 AromaticContact CZ-CG 3.87Å | ||
| 41 | H | 98.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 55.4 Ų | 55.4 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | trans | -74.2 | 148.8 | -177.5 | -72.5 | -73.4 | 0 | 0 | 0 | 112 | I45 C58 S60 D62 S64 S66 | H41-I45 HydrophobicContact CB-CD1 3.68Å; H41-C58 VanDerWaalsContact CD2-SG 3.59Å; H41-C58 PolarHBondContact NE2-SG 2.96Å; H41-C58 VanDerWaalsContact NE2-SG 3.37Å; H41-S60 WeakPolarHBondContact ND1-CB 3.24Å; H41-D62 VanDerWaalsContact CA-OD2 3.31Å; H41-D62 WeakPolarHBondContact CA-OD2 3.3Å; H41-D62 VanDerWaalsContact CB-OD2 3.24Å; H41-D62 WeakPolarHBondContact CB-OD2 3.33Å; H41-D62 IonicContact CG-OD2 2.89Å; H41-D62 IonicContact ND1-OD1 3.68Å; H41-D62 PolarHBondContact ND1-OD1 3.13Å; H41-D62 IonicContact ND1-OD2 3.94Å; H41-D62 PolarHBondContact ND1-OD2 3.02Å; H41-D62 VanDerWaalsContact ND1-OD2 3.13Å; H41-S64 PolarHBondContact CE1-OG 2.91Å; H41-S64 PolarHBondContact ND1-OG 3.49Å; H41-S66 PolarHBondContact CE1-OG 3.16Å; H41-S66 PolarHBondContact NE2-OG 2.58Å | ||
| 42 | S | 97.7 | Very high | 95.8 | Very high | 101 Ų | 101 | 51.3 Ų | 51.3 | 71% | 0.706 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -96.5 | -4.4 | -178.8 | 61.9 | 0 | 0 | 0 | 0 | 113.5 | D62 | S42-D62 PolarHBondContact N-OD2 2.89Å; S42-D62 VanDerWaalsContact OG-CB 3.25Å; S42-D62 WeakPolarHBondContact OG-CB 3.45Å |
| 43 | A | 97.9 | Very high | 96 | Very high | 24 Ų | 24 | 41.5 Ų | 41.5 | 20% | 0.198 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -138.2 | 179.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | C20 S60 D62 | C20-A43 VanDerWaalsContact CA-O 3.3Å; C20-A43 WeakPolarHBondContact CA-O 3.4Å; C20-A43 WeakPolarHBondContact SG-CA 3.37Å; A43-S60 PolarHBondContact O-OG 2.77Å; A43-D62 HydrophobicContact CB-CB 3.89Å |
| 44 | G | 98.1 | Very high | 96.2 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 7% | 0.072 | 19% | 0.194 | C | C | . | . | trans | -58.5 | 141.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G17 T46 S60 Y61 | G17-G44 CarbonylContact O-C 3.55Å; G17-G44 WeakPolarHBondContact O-CA 3.33Å; G44-T46 PolarHBondContact O-N 2.8Å; G44-S60 WeakPolarHBondContact O-CA 2.97Å; G44-S60 PolarHBondContact O-OG 2.79Å; G44-Y61 PolarHBondContact O-N 3.26Å | ||
| 45 | I | 98.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 118.9 | 176.8 | -51.1 | -53.9 | 0 | 0 | 0 | 109.4 | G17 Q21 W22 H41 L48 | G17-I45 PolarHBondContact O-N 2.71Å; Q21-I45 VanDerWaalsContact C-CG1 3.43Å; Q21-I45 VanDerWaalsContact O-CG1 3.3Å; Q21-I45 WeakPolarHBondContact O-CG1 3.49Å; W22-I45 HydrophobicContact CB-CG1 4.15Å; W22-I45 HydrophobicContact CB-CG2 4.35Å; H41-I45 HydrophobicContact CB-CD1 3.68Å; I45-L48 HydrophobicContact CG2-CD2 4.26Å; I45-L48 HydrophobicContact CG2-CG 4.2Å |
| 46 | T | 97.4 | Very high | 96.3 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 6% | 0.061 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -38.5 | -173.6 | 45.7 | 0 | 0 | 0 | 0 | 112.2 | G44 G59 S60 Y61 A85 A86 W87 | G44-T46 PolarHBondContact O-N 2.8Å; T46-G59 PolarHBondContact N-O 2.87Å; T46-G59 PolarHBondContact OG1-O 3.42Å; T46-G59 VanDerWaalsContact OG1-O 3.08Å; T46-S60 PolarHBondContact OG1-N 3.02Å; T46-Y61 HydrophobicContact CG2-CD1 4.32Å; T46-Y61 HydrophobicContact CG2-CD2 3.21Å; T46-Y61 HydrophobicContact CG2-CE2 3.54Å; T46-Y61 HydrophobicContact CG2-CG 3.68Å; T46-A85 HydrophobicContact CG2-CB 4.35Å; T46-A86 VanDerWaalsContact CB-O 3.26Å; T46-A86 WeakPolarHBondContact CB-O 3.31Å; T46-A86 PolarHBondContact OG1-O 3.03Å; T46-W87 HydrophobicContact CG2-CE3 3.81Å; T46-W87 HydrophobicContact CG2-CZ3 3.56Å |
| 47 | C | 98 | Very high | 96.4 | Very high | 9 Ų | 9 | 26.9 Ų | 26.9 | 6% | 0.061 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 152.3 | 174.7 | 64 | 0 | 0 | 0 | 0 | 113.1 | C58 G59 A86 W87 M89 | C47-C58 WeakPolarHBondContact O-CA 3.18Å; C47-G59 PolarHBondContact N-O 3.5Å; C47-G59 PolarHBondContact O-N 2.87Å; C47-A86 PolarHBondContact SG-O 3.34Å; C47-W87 WeakPolarHBondContact CB-O 3.3Å; C47-M89 HydrophobicContact CB-CE 4.39Å; C47-M89 WeakPolarHBondContact SG-CE 3.33Å |
| 48 | L | 98.5 | Very high | 96.5 | Very high | 11 Ų | 11 | 24.5 Ų | 24.5 | 6% | 0.058 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 139.2 | 171.2 | -70.7 | 168.2 | 0 | 0 | 0 | 106.7 | E4 S15 W22 I45 L56 F57 C58 | E4-L48 HydrophobicContact CB-CB 3.74Å; S15-L48 VanDerWaalsContact C-CD1 3.5Å; W22-L48 HydrophobicContact CB-CD1 4.19Å; W22-L48 HydrophobicContact CB-CD2 4.04Å; W22-L48 HydrophobicContact CG-CD2 4.1Å; I45-L48 HydrophobicContact CG2-CD2 4.26Å; I45-L48 HydrophobicContact CG2-CG 4.2Å; L48-L56 HydrophobicContact CB-CD1 4.43Å; L48-L56 HydrophobicContact CD2-CD1 4.49Å; L48-L56 HydrophobicContact CD2-CD2 4.21Å; L48-L56 HydrophobicContact CD2-CG 4.42Å; L48-F57 CarbonylContact C-O 3.56Å; L48-F57 WeakPolarHBondContact CA-O 3.33Å; L48-C58 HydrophobicContact CD2-CB 3.91Å |
| 49 | F | 97.6 | Very high | 96.5 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 120.8 | -176.8 | 178.7 | -117.2 | 0 | 0 | 0 | 111.2 | N51 F57 M89 S91 I100 | F49-N51 HydrophobicContact CD1-CB 4.37Å; F49-N51 HydrophobicContact CE1-CB 3.63Å; F49-N51 HydrophobicContact CZ-CB 4.01Å; F49-F57 HydrophobicContact CB-CB 4.37Å; F49-F57 HydrophobicContact CD1-CD2 4.06Å; F49-F57 PolarHBondContact N-O 2.96Å; F49-F57 PolarHBondContact O-N 3.33Å; F49-M89 HydrophobicContact CB-CB 3.79Å; F49-M89 HydrophobicContact CB-CE 3.61Å; F49-M89 HydrophobicContact CB-SD 4.19Å; F49-M89 HydrophobicContact CD1-CB 3.7Å; F49-M89 HydrophobicContact CD2-CB 4.4Å; F49-M89 WeakPolarHBondContact CD2-O 3.14Å; F49-M89 HydrophobicContact CE1-CB 4.4Å; F49-M89 HydrophobicContact CG-CB 3.7Å; F49-S91 WeakPolarHBondContact CZ-OG 3.07Å; F49-I100 HydrophobicContact CD1-CD1 4.36Å; F49-I100 HydrophobicContact CD1-CG2 4.45Å; F49-I100 HydrophobicContact CE1-CD1 3.99Å; F49-I100 HydrophobicContact CE1-CG1 4.08Å; F49-I100 HydrophobicContact CE1-CG2 4.21Å |
| 50 | D | 95.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 114.2 | 172 | -176.3 | -29.7 | 0 | 0 | 0 | 107.6 | E4 D6 R7 A52 L56 K70 | E4-D50 HydrophobicContact CG-CB 3.9Å; E4-D50 PolarHBondContact OE1-N 3.02Å; D6-D50 WeakPolarHBondContact CA-OD2 3.19Å; R7-D50 WeakPolarHBondContact CD-O 3.44Å; R7-D50 HydrophobicContact CG-CB 4.12Å; R7-D50 VanDerWaalsContact CZ-O 3.25Å; R7-D50 PolarHBondContact N-OD2 3.31Å; R7-D50 PolarHBondContact NE-O 2.92Å; R7-D50 PolarHBondContact NH2-O 2.69Å; D50-A52 PolarHBondContact O-N 2.82Å; D50-A52 WeakPolarHBondContact OD1-CA 3.46Å; D50-A52 PolarHBondContact OD1-N 3Å; D50-L56 HydrophobicContact CB-CD1 4.49Å; D50-K70 IonicContact OD1-NZ 2.86Å; D50-K70 IonicContact OD2-NZ 2.71Å; D50-K70 PolarHBondContact OD2-NZ 2.75Å |
| 51 | N | 91.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 18.6 Ų | 18.6 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | trans | -86.1 | 25.7 | 179.4 | 72.6 | -24.5 | 0 | 0 | 0 | 112.8 | F49 S53 F57 S91 G95 A96 S97 I100 | F49-N51 HydrophobicContact CD1-CB 4.37Å; F49-N51 HydrophobicContact CE1-CB 3.63Å; F49-N51 HydrophobicContact CZ-CB 4.01Å; N51-S53 PolarHBondContact O-N 2.9Å; N51-S53 WeakPolarHBondContact OD1-CB 3.33Å; N51-S53 PolarHBondContact OD1-N 2.82Å; N51-S53 PolarHBondContact OD1-OG 3.23Å; N51-F57 HydrophobicContact CB-CE2 4.36Å; N51-S91 WeakPolarHBondContact CB-OG 3.19Å; N51-G95 CarbonylContact O-C 3.53Å; N51-A96 VanDerWaalsContact O-CA 3.24Å; N51-A96 WeakPolarHBondContact O-CA 3.44Å; N51-S97 PolarHBondContact ND2-O 2.84Å; N51-I100 HydrophobicContact CB-CD1 4.47Å | ||
| 52 | A | 88.5 | Confident | 96.4 | Very high | 27 Ų | 27 | 19.6 Ų | 19.6 | 22% | 0.223 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 61.9 | 23.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | R7 D50 | R7-A52 HydrophobicContact CB-CB 4.16Å; D50-A52 PolarHBondContact O-N 2.82Å; D50-A52 WeakPolarHBondContact OD1-CA 3.46Å; D50-A52 PolarHBondContact OD1-N 3Å |
| 53 | S | 90.4 | Very high | 96.4 | Very high | 17 Ų | 17 | 17.6 Ų | 17.6 | 12% | 0.119 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -105.7 | -166.5 | 167.9 | 79.3 | 0 | 0 | 0 | 0 | 110.1 | N8 N51 V55 K70 | N8-S53 PolarHBondContact ND2-O 3.44Å; N51-S53 PolarHBondContact O-N 2.9Å; N51-S53 WeakPolarHBondContact OD1-CB 3.33Å; N51-S53 PolarHBondContact OD1-N 2.82Å; N51-S53 PolarHBondContact OD1-OG 3.23Å; S53-V55 PolarHBondContact O-N 2.88Å; S53-V55 WeakPolarHBondContact OG-CB 3.39Å; S53-V55 PolarHBondContact OG-N 2.84Å; S53-K70 WeakPolarHBondContact O-CE 3.36Å; S53-K70 PolarHBondContact O-NZ 2.92Å |
| 54 | E | 93.9 | Very high | 96.3 | Very high | 54 Ų | 54 | 16.8 Ų | 16.8 | 25% | 0.252 | 9% | 0.088 | S | C | . | . | S | Bend | trans | -85.2 | 6.9 | 170.5 | -61.1 | -62.1 | 149.3 | 0 | 0 | 112.6 | N8 D69 K70 R71 | N8-E54 PolarHBondContact ND2-OE1 2.95Å; E54-D69 CarbonylContact O-C 3.57Å; E54-D69 WeakPolarHBondContact O-CA 3.16Å; E54-K70 WeakPolarHBondContact O-CG 3.4Å; E54-K70 PolarHBondContact O-N 3.43Å; E54-R71 VanDerWaalsContact CG-CZ 3.41Å; E54-R71 IonicContact OE1-CZ 2.68Å; E54-R71 IonicContact OE1-NE 3.66Å; E54-R71 IonicContact OE1-NH2 2.78Å; E54-R71 PolarHBondContact OE1-NH2 3.38Å; E54-R71 IonicContact OE2-CZ 3.08Å; E54-R71 IonicContact OE2-NE 3.68Å; E54-R71 PolarHBondContact OE2-NE 2.85Å; E54-R71 IonicContact OE2-NH2 3.87Å; E54-R71 PolarHBondContact OE2-NH2 2.75Å |
| 55 | V | 95.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 16.4 Ų | 16.4 | 1% | 0.012 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.1 | -174.5 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | S53 F57 A67 W68 | S53-V55 PolarHBondContact O-N 2.88Å; S53-V55 WeakPolarHBondContact OG-CB 3.39Å; S53-V55 PolarHBondContact OG-N 2.84Å; V55-F57 HydrophobicContact CB-CE2 4.17Å; V55-F57 HydrophobicContact CB-CZ 4.11Å; V55-F57 HydrophobicContact CG1-CD1 4.43Å; V55-F57 HydrophobicContact CG1-CD2 4.46Å; V55-F57 HydrophobicContact CG1-CE1 3.86Å; V55-F57 HydrophobicContact CG1-CE2 3.88Å; V55-F57 HydrophobicContact CG1-CZ 3.53Å; V55-A67 HydrophobicContact CG1-CB 3.75Å; V55-W68 CarbonylContact C-O 3.53Å; V55-W68 VanDerWaalsContact CA-O 3.27Å; V55-W68 WeakPolarHBondContact CA-O 3.12Å |
| 56 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 124.5 | 167.2 | 178.5 | 69.6 | 0 | 0 | 0 | 108.9 | E4 Y14 W22 L48 D50 W68 K70 | E4-L56 HydrophobicContact CG-CD1 4.46Å; Y14-L56 HydrophobicContact CD1-CD2 3.79Å; Y14-L56 HydrophobicContact CD2-CD1 3.84Å; Y14-L56 HydrophobicContact CD2-CD2 4.02Å; Y14-L56 HydrophobicContact CE1-CD2 4.04Å; Y14-L56 HydrophobicContact CE2-CD1 4.17Å; Y14-L56 HydrophobicContact CE2-CD2 4.24Å; Y14-L56 HydrophobicContact CG-CD1 4.3Å; Y14-L56 HydrophobicContact CG-CD2 3.78Å; W22-L56 HydrophobicContact CE3-CD2 4.22Å; W22-L56 HydrophobicContact CH2-CD2 4.1Å; W22-L56 HydrophobicContact CZ2-CD2 4.43Å; W22-L56 HydrophobicContact CZ3-CD2 3.98Å; L48-L56 HydrophobicContact CB-CD1 4.43Å; L48-L56 HydrophobicContact CD2-CD1 4.49Å; L48-L56 HydrophobicContact CD2-CD2 4.21Å; L48-L56 HydrophobicContact CD2-CG 4.42Å; D50-L56 HydrophobicContact CB-CD1 4.49Å; L56-W68 HydrophobicContact CB-CB 4.37Å; L56-W68 PolarHBondContact N-O 3.11Å; L56-W68 PolarHBondContact O-N 3.33Å; L56-K70 HydrophobicContact CB-CG 4.08Å |
| 57 | F | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 140.9 | 171.9 | -60 | -82.2 | 0 | 0 | 0 | 110.3 | L48 F49 N51 V55 L65 S66 A67 M89 I100 F112 T114 I120 | L48-F57 CarbonylContact C-O 3.56Å; L48-F57 WeakPolarHBondContact CA-O 3.33Å; F49-F57 HydrophobicContact CB-CB 4.37Å; F49-F57 HydrophobicContact CD1-CD2 4.06Å; F49-F57 PolarHBondContact N-O 2.96Å; F49-F57 PolarHBondContact O-N 3.33Å; N51-F57 HydrophobicContact CB-CE2 4.36Å; V55-F57 HydrophobicContact CB-CE2 4.17Å; V55-F57 HydrophobicContact CB-CZ 4.11Å; V55-F57 HydrophobicContact CG1-CD1 4.43Å; V55-F57 HydrophobicContact CG1-CD2 4.46Å; V55-F57 HydrophobicContact CG1-CE1 3.86Å; V55-F57 HydrophobicContact CG1-CE2 3.88Å; V55-F57 HydrophobicContact CG1-CZ 3.53Å; F57-L65 HydrophobicContact CD1-CD2 4.03Å; F57-S66 CarbonylContact C-O 3.52Å; F57-S66 WeakPolarHBondContact CA-O 3.31Å; F57-A67 HydrophobicContact CD1-CB 3.98Å; F57-A67 HydrophobicContact CE1-CB 3.77Å; F57-M89 HydrophobicContact CB-CE 3.72Å; F57-M89 HydrophobicContact CB-SD 3.62Å; F57-M89 HydrophobicContact CG-SD 4.46Å; F57-I100 HydrophobicContact CD2-CD1 3.99Å; F57-I100 HydrophobicContact CE1-CD1 4.5Å; F57-I100 HydrophobicContact CE2-CD1 3.67Å; F57-I100 HydrophobicContact CZ-CD1 3.97Å; F57-F112 AromaticContact CD1-CE2 3.99Å; F57-F112 HydrophobicContact CD1-CE2 3.99Å; F57-F112 HydrophobicContact CD1-CZ 4Å; F57-F112 AromaticContact CE1-CE2 3.8Å; F57-F112 HydrophobicContact CE1-CE2 3.8Å; F57-F112 HydrophobicContact CE1-CZ 4.28Å; F57-F112 HydrophobicContact CG-CZ 4.39Å; F57-F112 HydrophobicContact CZ-CE2 4.36Å; F57-T114 HydrophobicContact CE1-CG2 4.5Å; F57-T114 HydrophobicContact CE2-CG2 4.35Å; F57-T114 HydrophobicContact CZ-CG2 3.66Å; F57-T114 WeakPolarHBondContact CZ-OG1 3.17Å; F57-I120 HydrophobicContact CE1-CD1 4.48Å; F57-I120 HydrophobicContact CE1-CG1 4.19Å |
| 58 | C | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 120.4 | -177.4 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | W22 H41 C47 L48 L65 S66 | W22-C58 VanDerWaalsContact CD1-SG 3.51Å; H41-C58 VanDerWaalsContact CD2-SG 3.59Å; H41-C58 PolarHBondContact NE2-SG 2.96Å; H41-C58 VanDerWaalsContact NE2-SG 3.37Å; C47-C58 WeakPolarHBondContact O-CA 3.18Å; L48-C58 HydrophobicContact CD2-CB 3.91Å; C58-L65 CarbonylContact O-C 3.57Å; C58-L65 WeakPolarHBondContact O-CA 3.24Å; C58-S66 PolarHBondContact N-O 3.08Å; C58-S66 PolarHBondContact O-N 3.43Å |
| 59 | G | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 146 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | T46 C47 | T46-G59 PolarHBondContact N-O 2.87Å; T46-G59 PolarHBondContact OG1-O 3.42Å; T46-G59 VanDerWaalsContact OG1-O 3.08Å; C47-G59 PolarHBondContact N-O 3.5Å; C47-G59 PolarHBondContact O-N 2.87Å |
| 60 | S | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 158.5 | 179.4 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | H41 A43 G44 T46 D62 D63 S64 A85 | H41-S60 WeakPolarHBondContact ND1-CB 3.24Å; A43-S60 PolarHBondContact O-OG 2.77Å; G44-S60 WeakPolarHBondContact O-CA 2.97Å; G44-S60 PolarHBondContact O-OG 2.79Å; T46-S60 PolarHBondContact OG1-N 3.02Å; S60-D62 WeakPolarHBondContact CB-OD1 3.31Å; S60-D62 PolarHBondContact O-N 3.4Å; S60-D62 PolarHBondContact OG-N 2.81Å; S60-D62 PolarHBondContact OG-OD1 3.44Å; S60-D62 VanDerWaalsContact OG-OD1 3.09Å; S60-D62 PolarHBondContact OG-OD2 2.87Å; S60-D63 PolarHBondContact O-N 3.37Å; S60-S64 PolarHBondContact N-O 3.2Å; S60-S64 VanDerWaalsContact N-O 3.14Å; S60-A85 WeakPolarHBondContact O-CA 3.35Å |
| 61 | Y | 97.2 | Very high | 96.1 | Very high | 111 Ų | 111 | 27.1 Ų | 27.1 | 44% | 0.435 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -6.6 | 169.6 | -97.2 | -66.5 | 0 | 0 | 0 | 114.1 | G44 T46 D63 A85 W87 | G44-Y61 PolarHBondContact O-N 3.26Å; T46-Y61 HydrophobicContact CG2-CD1 4.32Å; T46-Y61 HydrophobicContact CG2-CD2 3.21Å; T46-Y61 HydrophobicContact CG2-CE2 3.54Å; T46-Y61 HydrophobicContact CG2-CG 3.68Å; Y61-D63 PolarHBondContact O-N 3.13Å; Y61-A85 HydrophobicContact CD1-CB 3.75Å; Y61-A85 HydrophobicContact CE1-CB 4.25Å; Y61-A85 HydrophobicContact CG-CB 4.3Å; Y61-W87 AromaticContact CE1-CZ3 4Å; Y61-W87 HydrophobicContact CE1-CZ3 4Å; Y61-W87 AromaticContact CE2-CH2 3.97Å; Y61-W87 HydrophobicContact CE2-CH2 3.97Å; Y61-W87 AromaticContact CE2-CZ3 3.66Å; Y61-W87 HydrophobicContact CE2-CZ3 3.66Å; Y61-W87 AromaticContact CZ-CH2 3.73Å; Y61-W87 AromaticContact CZ-CZ3 3.35Å; Y61-W87 WeakPolarHBondContact OH-CH2 3.45Å; Y61-W87 WeakPolarHBondContact OH-CZ3 3.33Å |
| 62 | D | 97.2 | Very high | 96.2 | Very high | 28 Ų | 28 | 29.7 Ų | 29.7 | 15% | 0.15 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 15.9 | 173.8 | 62.7 | 25 | 0 | 0 | 0 | 113.1 | H41 S42 A43 S60 S64 | H41-D62 VanDerWaalsContact CA-OD2 3.31Å; H41-D62 WeakPolarHBondContact CA-OD2 3.3Å; H41-D62 VanDerWaalsContact CB-OD2 3.24Å; H41-D62 WeakPolarHBondContact CB-OD2 3.33Å; H41-D62 IonicContact CG-OD2 2.89Å; H41-D62 IonicContact ND1-OD1 3.68Å; H41-D62 PolarHBondContact ND1-OD1 3.13Å; H41-D62 IonicContact ND1-OD2 3.94Å; H41-D62 PolarHBondContact ND1-OD2 3.02Å; H41-D62 VanDerWaalsContact ND1-OD2 3.13Å; S42-D62 PolarHBondContact N-OD2 2.89Å; S42-D62 VanDerWaalsContact OG-CB 3.25Å; S42-D62 WeakPolarHBondContact OG-CB 3.45Å; A43-D62 HydrophobicContact CB-CB 3.89Å; S60-D62 WeakPolarHBondContact CB-OD1 3.31Å; S60-D62 PolarHBondContact O-N 3.4Å; S60-D62 PolarHBondContact OG-N 2.81Å; S60-D62 PolarHBondContact OG-OD1 3.44Å; S60-D62 VanDerWaalsContact OG-OD1 3.09Å; S60-D62 PolarHBondContact OG-OD2 2.87Å; D62-S64 PolarHBondContact O-N 3.27Å; D62-S64 VanDerWaalsContact O-N 3.12Å; D62-S64 VanDerWaalsContact OD1-CB 3.24Å; D62-S64 WeakPolarHBondContact OD1-CB 3.2Å; D62-S64 PolarHBondContact OD1-N 3.09Å; D62-S64 PolarHBondContact OD1-OG 2.89Å |
| 63 | D | 97 | Very high | 96.5 | Very high | 60 Ų | 60 | 29.6 Ų | 29.6 | 32% | 0.321 | 14% | 0.14 | S | C | . | . | S | Bend | trans | 61.7 | 11.9 | -177.9 | -55.3 | -23.1 | 0 | 0 | 0 | 114.8 | S60 Y61 H81 V82 G84 A85 | S60-D63 PolarHBondContact O-N 3.37Å; Y61-D63 PolarHBondContact O-N 3.13Å; D63-H81 WeakPolarHBondContact O-CA 3.15Å; D63-V82 WeakPolarHBondContact O-CG2 3.3Å; D63-V82 PolarHBondContact O-N 2.56Å; D63-G84 WeakPolarHBondContact OD1-CA 3.5Å; D63-A85 PolarHBondContact OD1-N 2.77Å |
| 64 | S | 97.1 | Very high | 96.6 | Very high | 6 Ų | 6 | 34.3 Ų | 34.3 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 144.7 | 175.8 | 74.3 | 0 | 0 | 0 | 0 | 112.7 | H41 S60 D62 I80 | H41-S64 PolarHBondContact CE1-OG 2.91Å; H41-S64 PolarHBondContact ND1-OG 3.49Å; S60-S64 PolarHBondContact N-O 3.2Å; S60-S64 VanDerWaalsContact N-O 3.14Å; D62-S64 PolarHBondContact O-N 3.27Å; D62-S64 VanDerWaalsContact O-N 3.12Å; D62-S64 VanDerWaalsContact OD1-CB 3.24Å; D62-S64 WeakPolarHBondContact OD1-CB 3.2Å; D62-S64 PolarHBondContact OD1-N 3.09Å; D62-S64 PolarHBondContact OD1-OG 2.89Å; S64-I80 CarbonylContact C-O 3.56Å; S64-I80 VanDerWaalsContact CA-O 3.29Å; S64-I80 WeakPolarHBondContact CA-O 3.46Å |
| 65 | L | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.4 | 169.7 | -170.8 | 159.9 | 0 | 0 | 0 | 107.5 | F57 C58 H79 I80 V82 A86 M89 F112 I120 | F57-L65 HydrophobicContact CD1-CD2 4.03Å; C58-L65 CarbonylContact O-C 3.57Å; C58-L65 WeakPolarHBondContact O-CA 3.24Å; L65-H79 CarbonylContact O-C 3.52Å; L65-H79 VanDerWaalsContact O-CA 3.24Å; L65-H79 WeakPolarHBondContact O-CA 3.29Å; L65-I80 HydrophobicContact CB-CG1 4.2Å; L65-I80 PolarHBondContact N-O 3.48Å; L65-I80 PolarHBondContact O-N 2.76Å; L65-V82 HydrophobicContact CB-CG1 4.1Å; L65-V82 HydrophobicContact CB-CG2 4.45Å; L65-V82 HydrophobicContact CD1-CG1 4.46Å; L65-A86 HydrophobicContact CD1-CB 4.46Å; L65-M89 HydrophobicContact CD1-SD 3.78Å; L65-M89 HydrophobicContact CG-SD 4.27Å; L65-F112 HydrophobicContact CD1-CD1 4.18Å; L65-F112 HydrophobicContact CD1-CE1 3.51Å; L65-F112 HydrophobicContact CD1-CZ 4.01Å; L65-F112 HydrophobicContact CD2-CE1 4.31Å; L65-F112 HydrophobicContact CD2-CZ 4.05Å; L65-I120 HydrophobicContact CD2-CD1 3.55Å |
| 66 | S | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 147.5 | -178.6 | 61.7 | 0 | 0 | 0 | 0 | 111.9 | H41 F57 C58 W68 D78 | H41-S66 PolarHBondContact CE1-OG 3.16Å; H41-S66 PolarHBondContact NE2-OG 2.58Å; F57-S66 CarbonylContact C-O 3.52Å; F57-S66 WeakPolarHBondContact CA-O 3.31Å; C58-S66 PolarHBondContact N-O 3.08Å; C58-S66 PolarHBondContact O-N 3.43Å; S66-W68 PolarHBondContact OG-NE1 3.29Å; S66-D78 WeakPolarHBondContact CA-O 3.49Å |
| 67 | A | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 133.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V55 F57 P76 V77 D78 G118 I120 | V55-A67 HydrophobicContact CG1-CB 3.75Å; F57-A67 HydrophobicContact CD1-CB 3.98Å; F57-A67 HydrophobicContact CE1-CB 3.77Å; A67-P76 CarbonylContact O-C 3.14Å; A67-P76 WeakPolarHBondContact O-CA 3.43Å; A67-V77 PolarHBondContact O-N 2.93Å; A67-D78 PolarHBondContact N-O 3.35Å; A67-G118 WeakPolarHBondContact CB-O 3.2Å; A67-I120 HydrophobicContact CB-CD1 3.82Å; A67-I120 HydrophobicContact CB-CG1 4.19Å |
| 68 | W | 98.1 | Very high | 96.8 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.015 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 125.2 | -174.4 | -60.4 | 84 | 0 | 0 | 0 | 110.9 | W22 N38 F40 V55 L56 S66 K70 L73 P76 | W22-W68 HydrophobicContact CZ2-CB 4.47Å; W22-W68 AromaticContact CZ2-CD2 3.75Å; W22-W68 HydrophobicContact CZ2-CD2 3.75Å; W22-W68 HydrophobicContact CZ2-CE3 4.09Å; W22-W68 AromaticContact CZ2-CG 3.9Å; W22-W68 HydrophobicContact CZ2-CG 3.9Å; W22-W68 AromaticContact NE1-CE2 3.9Å; W22-W68 AromaticContact NE1-NE1 3.8Å; N38-W68 WeakPolarHBondContact ND2-CH2 3.19Å; N38-W68 WeakPolarHBondContact ND2-CZ2 3.36Å; N38-W68 WeakPolarHBondContact ND2-CZ3 3.1Å; F40-W68 HydrophobicContact CB-CH2 3.6Å; F40-W68 HydrophobicContact CB-CZ2 3.56Å; F40-W68 HydrophobicContact CD1-CH2 4.49Å; F40-W68 AromaticContact CD1-CZ2 3.87Å; F40-W68 HydrophobicContact CD1-CZ2 3.87Å; F40-W68 HydrophobicContact CD2-CH2 4.29Å; F40-W68 HydrophobicContact CD2-CZ2 4.44Å; F40-W68 AromaticContact CG-CH2 3.88Å; F40-W68 HydrophobicContact CG-CH2 3.88Å; F40-W68 AromaticContact CG-CZ2 3.69Å; F40-W68 HydrophobicContact CG-CZ2 3.69Å; V55-W68 CarbonylContact C-O 3.53Å; V55-W68 VanDerWaalsContact CA-O 3.27Å; V55-W68 WeakPolarHBondContact CA-O 3.12Å; L56-W68 HydrophobicContact CB-CB 4.37Å; L56-W68 PolarHBondContact N-O 3.11Å; L56-W68 PolarHBondContact O-N 3.33Å; S66-W68 PolarHBondContact OG-NE1 3.29Å; W68-K70 PolarHBondContact O-N 3.05Å; W68-L73 HydrophobicContact CB-CD2 4.07Å; W68-P76 HydrophobicContact CD2-CB 4.23Å; W68-P76 HydrophobicContact CE3-CB 4.39Å; W68-P76 HydrophobicContact CH2-CB 4.01Å; W68-P76 VanDerWaalsContact CH2-CD 3.43Å; W68-P76 HydrophobicContact CH2-CG 4.08Å; W68-P76 HydrophobicContact CZ2-CB 3.86Å; W68-P76 HydrophobicContact CZ2-CG 4.23Å; W68-P76 HydrophobicContact CZ3-CB 4.3Å |
| 69 | D | 96 | Very high | 96.8 | Very high | 51 Ų | 51 | 49.3 Ų | 49.3 | 27% | 0.273 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 112.9 | 167.8 | 179.8 | -16.3 | 0 | 0 | 0 | 108.8 | E54 R71 S72 L73 V77 | E54-D69 CarbonylContact O-C 3.57Å; E54-D69 WeakPolarHBondContact O-CA 3.16Å; D69-R71 PolarHBondContact O-N 3.47Å; D69-R71 VanDerWaalsContact OD1-CB 3.24Å; D69-R71 WeakPolarHBondContact OD1-CB 3.27Å; D69-R71 PolarHBondContact OD1-N 3.24Å; D69-S72 CarbonylContact O-C 3.57Å; D69-S72 PolarHBondContact O-N 3.27Å; D69-L73 WeakPolarHBondContact O-CD2 3.3Å; D69-V77 HydrophobicContact CB-CG2 3.92Å |
| 70 | K | 96 | Very high | 96.8 | Very high | 21 Ų | 21 | 50.7 Ų | 50.7 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -24.9 | -178.4 | -67.2 | -175.3 | -66.8 | -178.7 | 0 | 112.9 | D6 N8 Y14 D50 S53 E54 L56 W68 | D6-K70 IonicContact OD1-NZ 3.56Å; D6-K70 PolarHBondContact OD1-NZ 2.9Å; D6-K70 IonicContact OD2-NZ 3.81Å; N8-K70 PolarHBondContact ND2-NZ 3.34Å; Y14-K70 HydrophobicContact CE2-CD 4.19Å; Y14-K70 VanDerWaalsContact OH-CD 3.23Å; Y14-K70 WeakPolarHBondContact OH-CD 3.47Å; Y14-K70 WeakPolarHBondContact OH-CG 3.38Å; D50-K70 IonicContact OD1-NZ 2.86Å; D50-K70 IonicContact OD2-NZ 2.71Å; D50-K70 PolarHBondContact OD2-NZ 2.75Å; S53-K70 WeakPolarHBondContact O-CE 3.36Å; S53-K70 PolarHBondContact O-NZ 2.92Å; E54-K70 WeakPolarHBondContact O-CG 3.4Å; E54-K70 PolarHBondContact O-N 3.43Å; L56-K70 HydrophobicContact CB-CG 4.08Å; W68-K70 PolarHBondContact O-N 3.05Å |
| 71 | R | 93.8 | Very high | 96.7 | Very high | 185 Ų | 185 | 56.7 Ų | 56.7 | 70% | 0.698 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -19.7 | 178.5 | -53 | 171.8 | 178.7 | 173.7 | -3.5 | 112.6 | E54 D69 | E54-R71 VanDerWaalsContact CG-CZ 3.41Å; E54-R71 IonicContact OE1-CZ 2.68Å; E54-R71 IonicContact OE1-NE 3.66Å; E54-R71 IonicContact OE1-NH2 2.78Å; E54-R71 PolarHBondContact OE1-NH2 3.38Å; E54-R71 IonicContact OE2-CZ 3.08Å; E54-R71 IonicContact OE2-NE 3.68Å; E54-R71 PolarHBondContact OE2-NE 2.85Å; E54-R71 IonicContact OE2-NH2 3.87Å; E54-R71 PolarHBondContact OE2-NH2 2.75Å; D69-R71 PolarHBondContact O-N 3.47Å; D69-R71 VanDerWaalsContact OD1-CB 3.24Å; D69-R71 WeakPolarHBondContact OD1-CB 3.27Å; D69-R71 PolarHBondContact OD1-N 3.24Å |
| 72 | S | 94.3 | Very high | 96.7 | Very high | 58 Ų | 58 | 51.4 Ų | 51.4 | 41% | 0.406 | 26% | 0.258 | S | S | . | . | trans | -144.4 | 84.4 | -178.8 | -173.8 | 0 | 0 | 0 | 0 | 112 | D69 T74 | D69-S72 CarbonylContact O-C 3.57Å; D69-S72 PolarHBondContact O-N 3.27Å; S72-T74 PolarHBondContact O-N 3.09Å; S72-T74 VanDerWaalsContact O-N 3.11Å | ||
| 73 | L | 94.4 | Very high | 96.5 | Very high | 24 Ų | 24 | 52.1 Ų | 52.1 | 13% | 0.126 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 19.7 | -177.4 | -60 | 177.1 | 0 | 0 | 0 | 114 | W22 Y36 W68 D69 | W22-L73 HydrophobicContact CH2-CD1 3.82Å; W22-L73 HydrophobicContact CH2-CD2 3.63Å; W22-L73 HydrophobicContact CH2-CG 4.19Å; W22-L73 HydrophobicContact CZ2-CD2 4.29Å; W22-L73 HydrophobicContact CZ3-CD1 4.23Å; Y36-L73 HydrophobicContact CD1-CB 4.11Å; Y36-L73 HydrophobicContact CD1-CD1 3.66Å; Y36-L73 HydrophobicContact CD2-CB 4.39Å; Y36-L73 HydrophobicContact CE1-CB 3.78Å; Y36-L73 HydrophobicContact CE1-CD1 4.11Å; Y36-L73 HydrophobicContact CE2-CB 4.1Å; Y36-L73 HydrophobicContact CG-CB 4.4Å; Y36-L73 HydrophobicContact CG-CD1 3.98Å; Y36-L73 VanDerWaalsContact CZ-O 3.22Å; Y36-L73 PolarHBondContact OH-O 3.25Å; W68-L73 HydrophobicContact CB-CD2 4.07Å; D69-L73 WeakPolarHBondContact O-CD2 3.3Å |
| 74 | T | 92.6 | Very high | 96.3 | Very high | 117 Ų | 117 | 49.3 Ų | 49.3 | 72% | 0.718 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -33.9 | -174.8 | 53.3 | 0 | 0 | 0 | 0 | 113 | S72 | S72-T74 PolarHBondContact O-N 3.09Å; S72-T74 VanDerWaalsContact O-N 3.11Å |
| 75 | K | 96.4 | Very high | 96.3 | Very high | 154 Ų | 154 | 49.2 Ų | 49.2 | 67% | 0.67 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -152.9 | 156.2 | 178.1 | 63.6 | 178 | -177.8 | 177 | 0 | 109.3 | ||
| 76 | P | 97.9 | Very high | 96.2 | Very high | 23 Ų | 23 | 49.2 Ų | 49.2 | 15% | 0.149 | 26% | 0.256 | C | S | . | . | trans | -64.3 | 146.2 | 172.2 | 28.4 | -32.1 | 0 | 0 | 0 | 109.2 | F40 A67 W68 D78 | F40-P76 HydrophobicContact CD2-CG 4.04Å; F40-P76 HydrophobicContact CE1-CG 4.43Å; F40-P76 HydrophobicContact CE2-CG 3.7Å; F40-P76 HydrophobicContact CZ-CG 3.91Å; A67-P76 CarbonylContact O-C 3.14Å; A67-P76 WeakPolarHBondContact O-CA 3.43Å; W68-P76 HydrophobicContact CD2-CB 4.23Å; W68-P76 HydrophobicContact CE3-CB 4.39Å; W68-P76 HydrophobicContact CH2-CB 4.01Å; W68-P76 VanDerWaalsContact CH2-CD 3.43Å; W68-P76 HydrophobicContact CH2-CG 4.08Å; W68-P76 HydrophobicContact CZ2-CB 3.86Å; W68-P76 HydrophobicContact CZ2-CG 4.23Å; W68-P76 HydrophobicContact CZ3-CB 4.3Å; P76-D78 VanDerWaalsContact C-N 3.33Å | ||
| 77 | V | 97.6 | Very high | 96.1 | Very high | 65 Ų | 65 | 52.9 Ų | 52.9 | 39% | 0.394 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -66.6 | -44.2 | 169.2 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | A67 D69 S117 | A67-V77 PolarHBondContact O-N 2.93Å; D69-V77 HydrophobicContact CB-CG2 3.92Å; V77-S117 VanDerWaalsContact CG1-O 3.31Å; V77-S117 WeakPolarHBondContact CG1-O 3.3Å |
| 78 | D | 98.2 | Very high | 96 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 21% | 0.209 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 159.2 | -179.7 | -157.5 | 3.3 | 0 | 0 | 0 | 109.9 | S66 A67 P76 K119 I120 | S66-D78 WeakPolarHBondContact CA-O 3.49Å; A67-D78 PolarHBondContact N-O 3.35Å; P76-D78 VanDerWaalsContact C-N 3.33Å; D78-K119 WeakPolarHBondContact OD2-CG 3.34Å; D78-I120 HydrophobicContact CB-CD1 4.43Å; D78-I120 PolarHBondContact OD2-N 2.88Å |
| 79 | H | 97.8 | Very high | 96 | Very high | 90 Ų | 90 | 53.6 Ų | 53.6 | 42% | 0.417 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 146.8 | 171.5 | 68.8 | -62.9 | 0 | 0 | 0 | 110.1 | F40 L65 | F40-H79 HydrophobicContact CE1-CB 4.31Å; F40-H79 HydrophobicContact CZ-CB 4.23Å; F40-H79 AromaticContact CZ-CD2 3.88Å; F40-H79 AromaticContact CZ-CG 3.87Å; L65-H79 CarbonylContact O-C 3.52Å; L65-H79 VanDerWaalsContact O-CA 3.24Å; L65-H79 WeakPolarHBondContact O-CA 3.29Å |
| 80 | I | 97.9 | Very high | 96.1 | Very high | 29 Ų | 29 | 56 Ų | 56 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 157.8 | 179.6 | 57.4 | 160.7 | 0 | 0 | 0 | 110 | S64 L65 V82 I120 L122 | S64-I80 CarbonylContact C-O 3.56Å; S64-I80 VanDerWaalsContact CA-O 3.29Å; S64-I80 WeakPolarHBondContact CA-O 3.46Å; L65-I80 HydrophobicContact CB-CG1 4.2Å; L65-I80 PolarHBondContact N-O 3.48Å; L65-I80 PolarHBondContact O-N 2.76Å; I80-V82 HydrophobicContact CD1-CG1 3.65Å; I80-V82 HydrophobicContact CG1-CG1 4.06Å; I80-I120 HydrophobicContact CD1-CG2 3.52Å; I80-I120 HydrophobicContact CG1-CD1 4.41Å; I80-I120 HydrophobicContact CG1-CG2 4.02Å; I80-I120 HydrophobicContact CG2-CB 4.38Å; I80-I120 HydrophobicContact CG2-CG2 4.25Å; I80-L122 HydrophobicContact CD1-CD1 4.12Å; I80-L122 HydrophobicContact CD1-CD2 3.49Å; I80-L122 VanDerWaalsContact CD1-CD2 3.49Å; I80-L122 HydrophobicContact CD1-CG 3.63Å |
| 81 | H | 97.1 | Very high | 96.1 | Very high | 126 Ų | 126 | 55.9 Ų | 55.9 | 58% | 0.583 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 134 | 164.4 | -74.6 | -75.2 | 0 | 0 | 0 | 109.9 | D63 | D63-H81 WeakPolarHBondContact O-CA 3.15Å |
| 82 | V | 95.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -112.9 | 16 | -177.2 | -69 | 0 | 0 | 0 | 0 | 112 | D63 L65 I80 G84 A86 Q107 V110 L122 | D63-V82 WeakPolarHBondContact O-CG2 3.3Å; D63-V82 PolarHBondContact O-N 2.56Å; L65-V82 HydrophobicContact CB-CG1 4.1Å; L65-V82 HydrophobicContact CB-CG2 4.45Å; L65-V82 HydrophobicContact CD1-CG1 4.46Å; I80-V82 HydrophobicContact CD1-CG1 3.65Å; I80-V82 HydrophobicContact CG1-CG1 4.06Å; V82-G84 VanDerWaalsContact CG2-O 3.28Å; V82-G84 WeakPolarHBondContact CG2-O 3.34Å; V82-G84 PolarHBondContact O-N 2.85Å; V82-G84 VanDerWaalsContact O-N 3.14Å; V82-A86 HydrophobicContact CG2-CB 4.39Å; V82-Q107 WeakPolarHBondContact O-CB 3.26Å; V82-Q107 WeakPolarHBondContact O-CG 3.36Å; V82-V110 HydrophobicContact CB-CG2 4.21Å; V82-V110 HydrophobicContact CG1-CG1 4.09Å; V82-L122 HydrophobicContact CG1-CD2 4.47Å | ||
| 83 | G | 93.3 | Very high | 96.1 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 44% | 0.443 | 26% | 0.261 | S | S | . | . | S | Bend | trans | 69.8 | 7.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 84 | G | 94.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | S | Bend | trans | 172.6 | 153.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D63 V82 A86 I105 | D63-G84 WeakPolarHBondContact OD1-CA 3.5Å; V82-G84 VanDerWaalsContact CG2-O 3.28Å; V82-G84 WeakPolarHBondContact CG2-O 3.34Å; V82-G84 PolarHBondContact O-N 2.85Å; V82-G84 VanDerWaalsContact O-N 3.14Å; G84-A86 PolarHBondContact O-N 2.86Å; G84-A86 VanDerWaalsContact O-N 3.17Å; G84-I105 CarbonylContact C-O 3.57Å; G84-I105 WeakPolarHBondContact CA-O 3.49Å |
| 85 | A | 95.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.033 | 27% | 0.273 | C | S | . | . | trans | -59 | 118.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T46 S60 Y61 D63 W87 C104 I105 | T46-A85 HydrophobicContact CG2-CB 4.35Å; S60-A85 WeakPolarHBondContact O-CA 3.35Å; Y61-A85 HydrophobicContact CD1-CB 3.75Å; Y61-A85 HydrophobicContact CE1-CB 4.25Å; Y61-A85 HydrophobicContact CG-CB 4.3Å; D63-A85 PolarHBondContact OD1-N 2.77Å; A85-W87 PolarHBondContact O-N 3.23Å; A85-C104 CarbonylContact O-C 3.58Å; A85-C104 VanDerWaalsContact O-CA 3.3Å; A85-C104 WeakPolarHBondContact O-CA 3.45Å; A85-I105 HydrophobicContact CB-CB 4.38Å; A85-I105 PolarHBondContact O-N 3.17Å | ||
| 86 | A | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 113.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | T46 C47 L65 V82 G84 C102 | T46-A86 VanDerWaalsContact CB-O 3.26Å; T46-A86 WeakPolarHBondContact CB-O 3.31Å; T46-A86 PolarHBondContact OG1-O 3.03Å; C47-A86 PolarHBondContact SG-O 3.34Å; L65-A86 HydrophobicContact CD1-CB 4.46Å; V82-A86 HydrophobicContact CG2-CB 4.39Å; G84-A86 PolarHBondContact O-N 2.86Å; G84-A86 VanDerWaalsContact O-N 3.17Å; A86-C102 WeakPolarHBondContact CB-SG 3.14Å |
| 87 | W | 96.4 | Very high | 94.3 | Very high | 77 Ų | 77 | 48.3 Ų | 48.3 | 29% | 0.292 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -36.4 | -171.1 | -154.5 | -91.9 | 0 | 0 | 0 | 114.8 | T46 C47 Y61 A85 A103 I105 Y135 | T46-W87 HydrophobicContact CG2-CE3 3.81Å; T46-W87 HydrophobicContact CG2-CZ3 3.56Å; C47-W87 WeakPolarHBondContact CB-O 3.3Å; Y61-W87 AromaticContact CE1-CZ3 4Å; Y61-W87 HydrophobicContact CE1-CZ3 4Å; Y61-W87 AromaticContact CE2-CH2 3.97Å; Y61-W87 HydrophobicContact CE2-CH2 3.97Å; Y61-W87 AromaticContact CE2-CZ3 3.66Å; Y61-W87 HydrophobicContact CE2-CZ3 3.66Å; Y61-W87 AromaticContact CZ-CH2 3.73Å; Y61-W87 AromaticContact CZ-CZ3 3.35Å; Y61-W87 WeakPolarHBondContact OH-CH2 3.45Å; Y61-W87 WeakPolarHBondContact OH-CZ3 3.33Å; A85-W87 PolarHBondContact O-N 3.23Å; W87-A103 PolarHBondContact N-O 2.86Å; W87-I105 HydrophobicContact CB-CG1 4.46Å; W87-I105 HydrophobicContact CD2-CD1 3.83Å; W87-I105 HydrophobicContact CD2-CG1 4.38Å; W87-I105 HydrophobicContact CE3-CD1 3.21Å; W87-I105 HydrophobicContact CE3-CG1 3.95Å; W87-I105 HydrophobicContact CH2-CD1 4.22Å; W87-I105 HydrophobicContact CZ3-CD1 3.45Å; W87-I105 VanDerWaalsContact CZ3-CD1 3.45Å; W87-Y135 AromaticContact CD1-CD1 3.87Å; W87-Y135 HydrophobicContact CD2-CD1 4.13Å; W87-Y135 HydrophobicContact CD2-CE1 4.44Å; W87-Y135 AromaticContact CE2-CD1 3.7Å; W87-Y135 AromaticContact CE2-CE1 3.98Å; W87-Y135 HydrophobicContact CG-CD1 4.17Å; W87-Y135 HydrophobicContact CZ2-CD1 4.21Å; W87-Y135 HydrophobicContact CZ2-CE1 4.05Å; W87-Y135 AromaticContact NE1-CD1 3.54Å |
| 88 | T | 96.7 | Very high | 94.1 | Very high | 17 Ų | 17 | 51.6 Ų | 51.6 | 10% | 0.104 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 149.6 | 171.8 | -168.1 | 0 | 0 | 0 | 0 | 109.3 | R90 C102 A103 A136 | T88-R90 PolarHBondContact OG1-NH1 2.52Å; T88-R90 VanDerWaalsContact OG1-NH1 3.16Å; T88-C102 WeakPolarHBondContact O-CA 3.48Å; T88-C102 PolarHBondContact O-SG 3.14Å; T88-C102 VanDerWaalsContact O-SG 3.34Å; T88-A103 HydrophobicContact CG2-CB 3.84Å; T88-A103 PolarHBondContact O-N 2.88Å; T88-A136 HydrophobicContact CG2-CB 4.27Å |
| 89 | M | 97.7 | Very high | 94 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 138.8 | 173.8 | -69.7 | 178.4 | -84.1 | 0 | 0 | 109.8 | C47 F49 F57 L65 I100 V101 C102 F112 | C47-M89 HydrophobicContact CB-CE 4.39Å; C47-M89 WeakPolarHBondContact SG-CE 3.33Å; F49-M89 HydrophobicContact CB-CB 3.79Å; F49-M89 HydrophobicContact CB-CE 3.61Å; F49-M89 HydrophobicContact CB-SD 4.19Å; F49-M89 HydrophobicContact CD1-CB 3.7Å; F49-M89 HydrophobicContact CD2-CB 4.4Å; F49-M89 WeakPolarHBondContact CD2-O 3.14Å; F49-M89 HydrophobicContact CE1-CB 4.4Å; F49-M89 HydrophobicContact CG-CB 3.7Å; F57-M89 HydrophobicContact CB-CE 3.72Å; F57-M89 HydrophobicContact CB-SD 3.62Å; F57-M89 HydrophobicContact CG-SD 4.46Å; L65-M89 HydrophobicContact CD1-SD 3.78Å; L65-M89 HydrophobicContact CG-SD 4.27Å; M89-I100 HydrophobicContact CB-CG2 3.93Å; M89-I100 HydrophobicContact CG-CG2 4.3Å; M89-V101 CarbonylContact C-O 3.48Å; M89-V101 VanDerWaalsContact CA-O 3.31Å; M89-V101 WeakPolarHBondContact CA-O 3.24Å; M89-C102 HydrophobicContact CG-CB 4.13Å; M89-F112 HydrophobicContact SD-CE1 4.38Å; M89-F112 HydrophobicContact SD-CZ 4.29Å |
| 90 | R | 97.3 | Very high | 94 | Very high | 100 Ų | 100 | 46.8 Ų | 46.8 | 38% | 0.377 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 131.8 | 178 | -66.6 | -67.2 | -178.6 | -95.2 | 2.6 | 111.3 | T88 I100 V101 A137 D138 W139 | T88-R90 PolarHBondContact OG1-NH1 2.52Å; T88-R90 VanDerWaalsContact OG1-NH1 3.16Å; R90-I100 WeakPolarHBondContact O-CA 3.24Å; R90-V101 HydrophobicContact CB-CG1 4.03Å; R90-V101 PolarHBondContact N-O 2.91Å; R90-V101 PolarHBondContact O-N 3.44Å; R90-A137 VanDerWaalsContact CG-O 3.3Å; R90-A137 WeakPolarHBondContact CG-O 3.25Å; R90-D138 WeakPolarHBondContact CB-OD1 3.47Å; R90-D138 HydrophobicContact CG-CB 4.28Å; R90-D138 WeakPolarHBondContact CG-OD1 3.42Å; R90-D138 IonicContact NE-OD2 3.65Å; R90-W139 PolarHBondContact O-NE1 2.95Å |
| 91 | S | 96.8 | Very high | 93.9 | Very high | 20 Ų | 20 | 45.4 Ų | 45.4 | 14% | 0.14 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 147.7 | 170.4 | -74.4 | 0 | 0 | 0 | 0 | 110.7 | F49 N51 N93 R99 | F49-S91 WeakPolarHBondContact CZ-OG 3.07Å; N51-S91 WeakPolarHBondContact CB-OG 3.19Å; S91-N93 VanDerWaalsContact C-N 3.26Å; S91-N93 WeakPolarHBondContact CB-O 3.25Å; S91-N93 PolarHBondContact O-N 3.12Å; S91-R99 WeakPolarHBondContact CA-O 3.42Å |
| 92 | D | 95.2 | Very high | 94 | Very high | 26 Ų | 26 | 39.4 Ų | 39.4 | 14% | 0.139 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -73.7 | -16.2 | -179 | 80 | -24.9 | 0 | 0 | 0 | 114.8 | S97 R99 W139 P142 | D92-S97 WeakPolarHBondContact OD1-CB 3.23Å; D92-S97 PolarHBondContact OD1-OG 2.94Å; D92-R99 HydrophobicContact CB-CB 4.37Å; D92-R99 PolarHBondContact N-O 2.84Å; D92-R99 VanDerWaalsContact N-O 3.13Å; D92-R99 WeakPolarHBondContact OD2-CD 3.31Å; D92-W139 HydrophobicContact CB-CD2 3.57Å; D92-W139 HydrophobicContact CB-CE3 4.13Å; D92-W139 HydrophobicContact CB-CG 3.85Å; D92-W139 HydrophobicContact CB-CZ2 4.01Å; D92-P142 HydrophobicContact CB-CB 3.98Å; D92-P142 HydrophobicContact CB-CG 4.1Å; D92-P142 WeakPolarHBondContact O-CG 3.28Å |
| 93 | N | 91.7 | Very high | 94.1 | Very high | 96 Ų | 96 | 39.4 Ų | 39.4 | 51% | 0.513 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -146.1 | 160.8 | 176.9 | -62.2 | -74.5 | 0 | 0 | 0 | 109.3 | S91 | S91-N93 VanDerWaalsContact C-N 3.26Å; S91-N93 WeakPolarHBondContact CB-O 3.25Å; S91-N93 PolarHBondContact O-N 3.12Å |
| 94 | E | 84.9 | Confident | 94.2 | Very high | 166 Ų | 166 | 37.4 Ų | 37.4 | 78% | 0.776 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -63.7 | 157 | 169.5 | -70.9 | -62.2 | 161.4 | 0 | 0 | 112.3 | R7 | R7-E94 IonicContact NH1-OE2 2.7Š|
| 95 | G | 84.7 | Confident | 94.2 | Very high | 32 Ų | 32 | 37.8 Ų | 37.8 | 33% | 0.33 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 77.4 | -163.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | N51 S97 | N51-G95 CarbonylContact O-C 3.53Å; G95-S97 PolarHBondContact O-N 3.39Å |
| 96 | A | 84.5 | Confident | 94 | Very high | 63 Ų | 63 | 43.7 Ų | 43.7 | 52% | 0.521 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -71.1 | 45.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N51 R98 | N51-A96 VanDerWaalsContact O-CA 3.24Å; N51-A96 WeakPolarHBondContact O-CA 3.44Å; A96-R98 PolarHBondContact O-N 2.83Å |
| 97 | S | 90.8 | Very high | 93.9 | Very high | 19 Ų | 19 | 45 Ų | 45 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | trans | -61.3 | 138.2 | 175.1 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | N51 D92 G95 R99 | N51-S97 PolarHBondContact ND2-O 2.84Å; D92-S97 WeakPolarHBondContact OD1-CB 3.23Å; D92-S97 PolarHBondContact OD1-OG 2.94Å; G95-S97 PolarHBondContact O-N 3.39Å; S97-R99 PolarHBondContact OG-N 2.89Å | ||
| 98 | R | 93.3 | Very high | 93.8 | Very high | 133 Ų | 133 | 41.3 Ų | 41.3 | 50% | 0.502 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -87.8 | -12.7 | -178.5 | -67.6 | -176.6 | -179.6 | 175 | 0.1 | 112.4 | A96 V113 T114 | A96-R98 PolarHBondContact O-N 2.83Å; R98-V113 HydrophobicContact CB-CG1 4.03Å; R98-V113 CarbonylContact O-C 3.34Å; R98-V113 WeakPolarHBondContact O-CA 3.41Å; R98-T114 HydrophobicContact CB-CG2 4.45Å; R98-T114 WeakPolarHBondContact CB-O 3.43Å; R98-T114 VanDerWaalsContact CD-O 3.3Å; R98-T114 WeakPolarHBondContact CD-O 3.18Å; R98-T114 WeakPolarHBondContact CG-O 3.36Å; R98-T114 PolarHBondContact O-N 3.49Å |
| 99 | R | 95.4 | Very high | 93.9 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 11% | 0.109 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 119.2 | -173.6 | -169.5 | -172.9 | -175.4 | -164.2 | -4 | 110 | S91 D92 S97 E111 V113 W139 P142 N145 | S91-R99 WeakPolarHBondContact CA-O 3.42Å; D92-R99 HydrophobicContact CB-CB 4.37Å; D92-R99 PolarHBondContact N-O 2.84Å; D92-R99 VanDerWaalsContact N-O 3.13Å; D92-R99 WeakPolarHBondContact OD2-CD 3.31Å; S97-R99 PolarHBondContact OG-N 2.89Å; R99-E111 HydrophobicContact CG-CG 4.45Å; R99-E111 VanDerWaalsContact CG-OE1 3.31Å; R99-E111 WeakPolarHBondContact CG-OE1 3.47Å; R99-E111 IonicContact CZ-OE1 3.85Å; R99-E111 IonicContact CZ-OE2 3.35Å; R99-E111 VanDerWaalsContact NE-CD 3.29Å; R99-E111 IonicContact NE-OE1 3.65Å; R99-E111 PolarHBondContact NE-OE1 2.92Å; R99-E111 IonicContact NE-OE2 2.71Å; R99-E111 IonicContact NH2-OE1 3.13Å; R99-E111 PolarHBondContact NH2-OE1 3.13Å; R99-E111 IonicContact NH2-OE2 3.72Å; R99-E111 PolarHBondContact NH2-OE2 2.92Å; R99-V113 HydrophobicContact CB-CG2 4.44Å; R99-V113 HydrophobicContact CG-CG2 4.38Å; R99-W139 HydrophobicContact CG-CH2 4.06Å; R99-W139 HydrophobicContact CG-CZ2 3.9Å; R99-P142 PolarHBondContact NH1-O 2.87Å; R99-N145 VanDerWaalsContact CZ-OD1 3.23Å; R99-N145 PolarHBondContact NH1-OD1 2.92Å; R99-N145 PolarHBondContact NH2-OD1 3.33Å |
| 100 | I | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 129.3 | -172.7 | -61.3 | 165.6 | 0 | 0 | 0 | 108.9 | F49 N51 F57 M89 R90 E111 F112 T114 | F49-I100 HydrophobicContact CD1-CD1 4.36Å; F49-I100 HydrophobicContact CD1-CG2 4.45Å; F49-I100 HydrophobicContact CE1-CD1 3.99Å; F49-I100 HydrophobicContact CE1-CG1 4.08Å; F49-I100 HydrophobicContact CE1-CG2 4.21Å; N51-I100 HydrophobicContact CB-CD1 4.47Å; F57-I100 HydrophobicContact CD2-CD1 3.99Å; F57-I100 HydrophobicContact CE1-CD1 4.5Å; F57-I100 HydrophobicContact CE2-CD1 3.67Å; F57-I100 HydrophobicContact CZ-CD1 3.97Å; M89-I100 HydrophobicContact CB-CG2 3.93Å; M89-I100 HydrophobicContact CG-CG2 4.3Å; R90-I100 WeakPolarHBondContact O-CA 3.24Å; I100-E111 WeakPolarHBondContact O-CA 3.37Å; I100-F112 HydrophobicContact CB-CD1 4.24Å; I100-F112 HydrophobicContact CB-CD2 4.35Å; I100-F112 HydrophobicContact CB-CE1 3.76Å; I100-F112 HydrophobicContact CB-CE2 3.91Å; I100-F112 HydrophobicContact CB-CZ 3.59Å; I100-F112 HydrophobicContact CD1-CD2 4.47Å; I100-F112 HydrophobicContact CD1-CE2 3.52Å; I100-F112 HydrophobicContact CD1-CZ 3.59Å; I100-F112 HydrophobicContact CG1-CE2 4.22Å; I100-F112 HydrophobicContact CG1-CZ 4.17Å; I100-F112 HydrophobicContact CG2-CD1 4.34Å; I100-F112 HydrophobicContact CG2-CE1 3.5Å; I100-F112 HydrophobicContact CG2-CE2 4.34Å; I100-F112 HydrophobicContact CG2-CZ 3.52Å; I100-F112 PolarHBondContact N-O 3.29Å; I100-F112 PolarHBondContact O-N 3.45Å; I100-T114 HydrophobicContact CD1-CG2 4.17Å |
| 101 | V | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 141.3 | 167 | 71.6 | 0 | 0 | 0 | 0 | 109 | M89 R90 I109 V110 A137 W139 I147 L162 | M89-V101 CarbonylContact C-O 3.48Å; M89-V101 VanDerWaalsContact CA-O 3.31Å; M89-V101 WeakPolarHBondContact CA-O 3.24Å; R90-V101 HydrophobicContact CB-CG1 4.03Å; R90-V101 PolarHBondContact N-O 2.91Å; R90-V101 PolarHBondContact O-N 3.44Å; V101-I109 HydrophobicContact CG2-CG2 3.56Å; V101-V110 CarbonylContact C-O 3.5Å; V101-V110 WeakPolarHBondContact CA-O 3.22Å; V101-A137 HydrophobicContact CG1-CB 4.37Å; V101-A137 HydrophobicContact CG2-CB 4.24Å; V101-W139 HydrophobicContact CB-CH2 4.44Å; V101-W139 HydrophobicContact CB-CZ2 3.69Å; V101-W139 HydrophobicContact CG1-CD2 4.43Å; V101-W139 HydrophobicContact CG1-CG 4.45Å; V101-W139 HydrophobicContact CG1-CZ2 4.25Å; V101-I147 HydrophobicContact CG2-CD1 3.99Å; V101-I147 HydrophobicContact CG2-CG2 4.33Å; V101-L162 HydrophobicContact CG2-CD1 4.33Å |
| 102 | C | 97.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 128.8 | 177.6 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | A86 T88 M89 C104 V110 | A86-C102 WeakPolarHBondContact CB-SG 3.14Å; T88-C102 WeakPolarHBondContact O-CA 3.48Å; T88-C102 PolarHBondContact O-SG 3.14Å; T88-C102 VanDerWaalsContact O-SG 3.34Å; M89-C102 HydrophobicContact CG-CB 4.13Å; C102-C104 PolarHBondContact SG-SG 3.43Å; C102-V110 HydrophobicContact CB-CB 4.33Å; C102-V110 PolarHBondContact N-O 3.22Å; C102-V110 PolarHBondContact O-N 3.07Å |
| 103 | A | 97.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 125.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108 | W87 T88 V134 A137 | W87-A103 PolarHBondContact N-O 2.86Å; T88-A103 HydrophobicContact CG2-CB 3.84Å; T88-A103 PolarHBondContact O-N 2.88Å; A103-V134 HydrophobicContact CB-CB 4.16Å; A103-V134 HydrophobicContact CB-CG1 3.66Å; A103-A137 HydrophobicContact CB-CB 3.95Å |
| 104 | C | 97 | Very high | 94 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 123.4 | -179.7 | -64.2 | 0 | 0 | 0 | 0 | 109.5 | A85 C102 H106 Q107 G108 V110 | A85-C104 CarbonylContact O-C 3.58Å; A85-C104 VanDerWaalsContact O-CA 3.3Å; A85-C104 WeakPolarHBondContact O-CA 3.45Å; C102-C104 PolarHBondContact SG-SG 3.43Å; C104-H106 PolarHBondContact O-N 2.97Å; C104-Q107 HydrophobicContact CB-CB 3.7Å; C104-Q107 HydrophobicContact CB-CG 4.26Å; C104-Q107 PolarHBondContact O-N 2.82Å; C104-G108 PolarHBondContact N-O 2.92Å; C104-G108 PolarHBondContact O-N 3.37Å; C104-V110 HydrophobicContact CB-CG2 4.33Å |
| 105 | I | 93.8 | Very high | 94.4 | Very high | 9 Ų | 9 | 25.8 Ų | 25.8 | 5% | 0.046 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 137.6 | 176.6 | -61.2 | -174.5 | 0 | 0 | 0 | 108.7 | G84 A85 W87 Q107 M133 Y135 | G84-I105 CarbonylContact C-O 3.57Å; G84-I105 WeakPolarHBondContact CA-O 3.49Å; A85-I105 HydrophobicContact CB-CB 4.38Å; A85-I105 PolarHBondContact O-N 3.17Å; W87-I105 HydrophobicContact CB-CG1 4.46Å; W87-I105 HydrophobicContact CD2-CD1 3.83Å; W87-I105 HydrophobicContact CD2-CG1 4.38Å; W87-I105 HydrophobicContact CE3-CD1 3.21Å; W87-I105 HydrophobicContact CE3-CG1 3.95Å; W87-I105 HydrophobicContact CH2-CD1 4.22Å; W87-I105 HydrophobicContact CZ3-CD1 3.45Å; W87-I105 VanDerWaalsContact CZ3-CD1 3.45Å; I105-Q107 PolarHBondContact O-N 2.76Å; I105-M133 HydrophobicContact CG2-CB 4.44Å; I105-M133 HydrophobicContact CG2-CG 4.23Å; I105-M133 HydrophobicContact CG2-SD 4.5Å; I105-Y135 HydrophobicContact CD1-CE1 4.13Å |
| 106 | H | 90.9 | Very high | 94.7 | Very high | 128 Ų | 128 | 31.6 Ų | 31.6 | 59% | 0.593 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | -34.2 | -175.2 | -55.3 | -52.9 | 0 | 0 | 0 | 116.1 | C104 G130 | C104-H106 PolarHBondContact O-N 2.97Å; H106-G130 WeakPolarHBondContact CA-O 3.44Å; H106-G130 CarbonylContact O-C 3.47Å; H106-G130 WeakPolarHBondContact O-CA 3.36Å |
| 107 | Q | 94.4 | Very high | 95.1 | Very high | 27 Ų | 27 | 32.3 Ų | 32.3 | 13% | 0.126 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -33.5 | 176 | 175.5 | 63.7 | 47 | 0 | 0 | 112.9 | V82 C104 I105 V110 S127 | V82-Q107 WeakPolarHBondContact O-CB 3.26Å; V82-Q107 WeakPolarHBondContact O-CG 3.36Å; C104-Q107 HydrophobicContact CB-CB 3.7Å; C104-Q107 HydrophobicContact CB-CG 4.26Å; C104-Q107 PolarHBondContact O-N 2.82Å; I105-Q107 PolarHBondContact O-N 2.76Å; Q107-V110 HydrophobicContact CG-CG2 3.72Å; Q107-S127 PolarHBondContact NE2-OG 2.98Å; Q107-S127 WeakPolarHBondContact O-CA 3.44Å; Q107-S127 PolarHBondContact O-OG 2.74Å |
| 108 | G | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 99.6 | -115.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C104 | C104-G108 PolarHBondContact N-O 2.92Å; C104-G108 PolarHBondContact O-N 3.37Å |
| 109 | I | 96.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135.4 | 179.7 | -56.8 | -64.1 | 0 | 0 | 0 | 110.6 | V101 D126 V134 A137 I147 A149 L160 L162 | V101-I109 HydrophobicContact CG2-CG2 3.56Å; I109-D126 HydrophobicContact CB-CB 4.45Å; I109-D126 PolarHBondContact N-O 2.85Å; I109-D126 PolarHBondContact O-N 2.82Å; I109-V134 HydrophobicContact CD1-CG1 3.89Å; I109-A137 HydrophobicContact CD1-CB 3.75Å; I109-I147 HydrophobicContact CB-CD1 4.34Å; I109-I147 HydrophobicContact CD1-CD1 4.07Å; I109-I147 HydrophobicContact CG1-CD1 3.95Å; I109-I147 HydrophobicContact CG2-CD1 3.61Å; I109-A149 HydrophobicContact CD1-CB 3.95Å; I109-L160 HydrophobicContact CG1-CD1 3.78Å; I109-L162 HydrophobicContact CG2-CD2 3.84Å |
| 110 | V | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.9 | 171.4 | 175.7 | 0 | 0 | 0 | 0 | 109.4 | V82 V101 C102 C104 Q107 L122 C124 M125 | V82-V110 HydrophobicContact CB-CG2 4.21Å; V82-V110 HydrophobicContact CG1-CG1 4.09Å; V101-V110 CarbonylContact C-O 3.5Å; V101-V110 WeakPolarHBondContact CA-O 3.22Å; C102-V110 HydrophobicContact CB-CB 4.33Å; C102-V110 PolarHBondContact N-O 3.22Å; C102-V110 PolarHBondContact O-N 3.07Å; C104-V110 HydrophobicContact CB-CG2 4.33Å; Q107-V110 HydrophobicContact CG-CG2 3.72Å; V110-L122 HydrophobicContact CG1-CD2 3.51Å; V110-C124 WeakPolarHBondContact CA-O 3.12Å; V110-M125 HydrophobicContact CG1-CG 4.34Å; V110-M125 HydrophobicContact CG2-CG 4.03Å |
| 111 | E | 96.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.5 | 168.5 | -162.6 | -155.9 | 136.4 | 0 | 0 | 109 | R99 I100 R123 C124 W139 L162 | R99-E111 HydrophobicContact CG-CG 4.45Å; R99-E111 VanDerWaalsContact CG-OE1 3.31Å; R99-E111 WeakPolarHBondContact CG-OE1 3.47Å; R99-E111 IonicContact CZ-OE1 3.85Å; R99-E111 IonicContact CZ-OE2 3.35Å; R99-E111 VanDerWaalsContact NE-CD 3.29Å; R99-E111 IonicContact NE-OE1 3.65Å; R99-E111 PolarHBondContact NE-OE1 2.92Å; R99-E111 IonicContact NE-OE2 2.71Å; R99-E111 IonicContact NH2-OE1 3.13Å; R99-E111 PolarHBondContact NH2-OE1 3.13Å; R99-E111 IonicContact NH2-OE2 3.72Å; R99-E111 PolarHBondContact NH2-OE2 2.92Å; I100-E111 WeakPolarHBondContact O-CA 3.37Å; E111-R123 HydrophobicContact CB-CB 4.38Å; E111-R123 VanDerWaalsContact CD-NH1 3.33Å; E111-R123 HydrophobicContact CG-CB 4.49Å; E111-R123 PolarHBondContact O-N 2.93Å; E111-R123 WeakPolarHBondContact OE1-CD 3.21Å; E111-R123 IonicContact OE1-CZ 3.51Å; E111-R123 IonicContact OE1-NE 3.45Å; E111-R123 IonicContact OE1-NH1 2.86Å; E111-R123 PolarHBondContact OE1-NH1 2.91Å; E111-R123 IonicContact OE2-NH1 3.57Å; E111-R123 PolarHBondContact OE2-NH1 3.26Å; E111-C124 HydrophobicContact CB-CB 3.96Å; E111-C124 PolarHBondContact N-O 3.25Å; E111-C124 PolarHBondContact O-N 3.25Å; E111-W139 HydrophobicContact CG-CH2 4.09Å; E111-W139 HydrophobicContact CG-CZ2 4.31Å; E111-L162 HydrophobicContact CB-CD1 4.13Å; E111-L162 HydrophobicContact CG-CD1 4.18Å |
| 112 | F | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 158.4 | 170.8 | 69.6 | -89.4 | 0 | 0 | 0 | 111.6 | F57 L65 M89 I100 I120 T121 L122 | F57-F112 AromaticContact CD1-CE2 3.99Å; F57-F112 HydrophobicContact CD1-CE2 3.99Å; F57-F112 HydrophobicContact CD1-CZ 4Å; F57-F112 AromaticContact CE1-CE2 3.8Å; F57-F112 HydrophobicContact CE1-CE2 3.8Å; F57-F112 HydrophobicContact CE1-CZ 4.28Å; F57-F112 HydrophobicContact CG-CZ 4.39Å; F57-F112 HydrophobicContact CZ-CE2 4.36Å; L65-F112 HydrophobicContact CD1-CD1 4.18Å; L65-F112 HydrophobicContact CD1-CE1 3.51Å; L65-F112 HydrophobicContact CD1-CZ 4.01Å; L65-F112 HydrophobicContact CD2-CE1 4.31Å; L65-F112 HydrophobicContact CD2-CZ 4.05Å; M89-F112 HydrophobicContact SD-CE1 4.38Å; M89-F112 HydrophobicContact SD-CZ 4.29Å; I100-F112 HydrophobicContact CB-CD1 4.24Å; I100-F112 HydrophobicContact CB-CD2 4.35Å; I100-F112 HydrophobicContact CB-CE1 3.76Å; I100-F112 HydrophobicContact CB-CE2 3.91Å; I100-F112 HydrophobicContact CB-CZ 3.59Å; I100-F112 HydrophobicContact CD1-CD2 4.47Å; I100-F112 HydrophobicContact CD1-CE2 3.52Å; I100-F112 HydrophobicContact CD1-CZ 3.59Å; I100-F112 HydrophobicContact CG1-CE2 4.22Å; I100-F112 HydrophobicContact CG1-CZ 4.17Å; I100-F112 HydrophobicContact CG2-CD1 4.34Å; I100-F112 HydrophobicContact CG2-CE1 3.5Å; I100-F112 HydrophobicContact CG2-CE2 4.34Å; I100-F112 HydrophobicContact CG2-CZ 3.52Å; I100-F112 PolarHBondContact N-O 3.29Å; I100-F112 PolarHBondContact O-N 3.45Å; F112-I120 HydrophobicContact CB-CG2 3.92Å; F112-I120 HydrophobicContact CD2-CG1 4.42Å; F112-I120 HydrophobicContact CD2-CG2 3.69Å; F112-I120 HydrophobicContact CE2-CG1 4.42Å; F112-I120 HydrophobicContact CE2-CG2 4.4Å; F112-I120 HydrophobicContact CG-CG2 3.95Å; F112-T121 CarbonylContact C-O 3.44Å; F112-T121 WeakPolarHBondContact CA-O 3.09Å; F112-L122 HydrophobicContact CB-CD2 4.33Å |
| 113 | V | 95.8 | Very high | 95.2 | Very high | 46 Ų | 46 | 38.4 Ų | 38.4 | 28% | 0.279 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 140.7 | 169.2 | 172.6 | 0 | 0 | 0 | 0 | 109.6 | R98 R99 T121 R123 | R98-V113 HydrophobicContact CB-CG1 4.03Å; R98-V113 CarbonylContact O-C 3.34Å; R98-V113 WeakPolarHBondContact O-CA 3.41Å; R99-V113 HydrophobicContact CB-CG2 4.44Å; R99-V113 HydrophobicContact CG-CG2 4.38Å; V113-T121 PolarHBondContact N-O 3.36Å; V113-T121 PolarHBondContact O-N 3.37Å; V113-R123 HydrophobicContact CB-CG 4.44Å; V113-R123 HydrophobicContact CG2-CG 3.88Å |
| 114 | T | 95.9 | Very high | 95 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 146.9 | 177 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | F57 R98 I100 K119 | F57-T114 HydrophobicContact CE1-CG2 4.5Å; F57-T114 HydrophobicContact CE2-CG2 4.35Å; F57-T114 HydrophobicContact CZ-CG2 3.66Å; F57-T114 WeakPolarHBondContact CZ-OG1 3.17Å; R98-T114 HydrophobicContact CB-CG2 4.45Å; R98-T114 WeakPolarHBondContact CB-O 3.43Å; R98-T114 VanDerWaalsContact CD-O 3.3Å; R98-T114 WeakPolarHBondContact CD-O 3.18Å; R98-T114 WeakPolarHBondContact CG-O 3.36Å; R98-T114 PolarHBondContact O-N 3.49Å; I100-T114 HydrophobicContact CD1-CG2 4.17Å; T114-K119 CarbonylContact C-O 3.49Å; T114-K119 WeakPolarHBondContact CA-O 3.31Å; T114-K119 PolarHBondContact OG1-O 2.83Å |
| 115 | T | 94.6 | Very high | 94.8 | Very high | 52 Ų | 52 | 42.2 Ų | 42.2 | 32% | 0.319 | 22% | 0.216 | S | C | . | . | trans | -81.6 | 167.9 | 168.4 | 64.7 | 0 | 0 | 0 | 0 | 110.7 | S117 G118 K119 | T115-S117 PolarHBondContact O-N 2.47Å; T115-S117 PolarHBondContact OG1-N 2.85Å; T115-S117 PolarHBondContact OG1-OG 3.1Å; T115-G118 PolarHBondContact O-N 2.97Å; T115-G118 PolarHBondContact OG1-N 3.45Å; T115-K119 HydrophobicContact CG2-CB 3.99Å; T115-K119 PolarHBondContact N-O 2.97Å; T115-K119 VanDerWaalsContact OG1-CB 3.31Å; T115-K119 WeakPolarHBondContact OG1-CB 3.25Å; T115-K119 PolarHBondContact OG1-N 3.05Å | ||
| 116 | E | 91.2 | Very high | 94.7 | Very high | 154 Ų | 154 | 42 Ų | 42 | 72% | 0.72 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -32 | 172.6 | -174.8 | 175.7 | 175.6 | 0 | 0 | 112.8 | G118 | E116-G118 VanDerWaalsContact C-N 3.28Å; E116-G118 PolarHBondContact O-N 3.32Å |
| 117 | S | 91.7 | Very high | 94.8 | Very high | 77 Ų | 77 | 38.6 Ų | 38.6 | 54% | 0.538 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -13.6 | 174.4 | 60.9 | 0 | 0 | 0 | 0 | 113.8 | V77 T115 | V77-S117 VanDerWaalsContact CG1-O 3.31Å; V77-S117 WeakPolarHBondContact CG1-O 3.3Å; T115-S117 PolarHBondContact O-N 2.47Å; T115-S117 PolarHBondContact OG1-N 2.85Å; T115-S117 PolarHBondContact OG1-OG 3.1Å |
| 118 | G | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | 99 | 7.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | A67 T115 E116 I120 | A67-G118 WeakPolarHBondContact CB-O 3.2Å; T115-G118 PolarHBondContact O-N 2.97Å; T115-G118 PolarHBondContact OG1-N 3.45Å; E116-G118 VanDerWaalsContact C-N 3.28Å; E116-G118 PolarHBondContact O-N 3.32Å; G118-I120 PolarHBondContact O-N 3.48Å | ||
| 119 | K | 97.2 | Very high | 94.4 | Very high | 122 Ų | 122 | 39.6 Ų | 39.6 | 53% | 0.53 | 21% | 0.213 | S | C | . | . | trans | -66.4 | 133.3 | 174 | -174.1 | 178.7 | -178.6 | 177.3 | 0 | 109.8 | D78 T114 T115 | D78-K119 WeakPolarHBondContact OD2-CG 3.34Å; T114-K119 CarbonylContact C-O 3.49Å; T114-K119 WeakPolarHBondContact CA-O 3.31Å; T114-K119 PolarHBondContact OG1-O 2.83Å; T115-K119 HydrophobicContact CG2-CB 3.99Å; T115-K119 PolarHBondContact N-O 2.97Å; T115-K119 VanDerWaalsContact OG1-CB 3.31Å; T115-K119 WeakPolarHBondContact OG1-CB 3.25Å; T115-K119 PolarHBondContact OG1-N 3.05Å | ||
| 120 | I | 97.8 | Very high | 94 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 5% | 0.046 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 138.7 | -176.5 | -62.3 | 159.2 | 0 | 0 | 0 | 109.8 | F57 L65 A67 D78 I80 F112 G118 | F57-I120 HydrophobicContact CE1-CD1 4.48Å; F57-I120 HydrophobicContact CE1-CG1 4.19Å; L65-I120 HydrophobicContact CD2-CD1 3.55Å; A67-I120 HydrophobicContact CB-CD1 3.82Å; A67-I120 HydrophobicContact CB-CG1 4.19Å; D78-I120 HydrophobicContact CB-CD1 4.43Å; D78-I120 PolarHBondContact OD2-N 2.88Å; I80-I120 HydrophobicContact CD1-CG2 3.52Å; I80-I120 HydrophobicContact CG1-CD1 4.41Å; I80-I120 HydrophobicContact CG1-CG2 4.02Å; I80-I120 HydrophobicContact CG2-CB 4.38Å; I80-I120 HydrophobicContact CG2-CG2 4.25Å; F112-I120 HydrophobicContact CB-CG2 3.92Å; F112-I120 HydrophobicContact CD2-CG1 4.42Å; F112-I120 HydrophobicContact CD2-CG2 3.69Å; F112-I120 HydrophobicContact CE2-CG1 4.42Å; F112-I120 HydrophobicContact CE2-CG2 4.4Å; F112-I120 HydrophobicContact CG-CG2 3.95Å; G118-I120 PolarHBondContact O-N 3.48Å |
| 121 | T | 96.1 | Very high | 93.8 | Very high | 75 Ų | 75 | 44 Ų | 44 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 113.5 | 171.1 | -60.5 | 0 | 0 | 0 | 0 | 109 | F112 V113 R123 | F112-T121 CarbonylContact C-O 3.44Å; F112-T121 WeakPolarHBondContact CA-O 3.09Å; V113-T121 PolarHBondContact N-O 3.36Å; V113-T121 PolarHBondContact O-N 3.37Å; T121-R123 PolarHBondContact O-N 2.82Å |
| 122 | L | 95.2 | Very high | 93.6 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 23% | 0.225 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 131.3 | 174.4 | -76 | 172.2 | 0 | 0 | 0 | 110.4 | I80 V82 V110 F112 M125 | I80-L122 HydrophobicContact CD1-CD1 4.12Å; I80-L122 HydrophobicContact CD1-CD2 3.49Å; I80-L122 VanDerWaalsContact CD1-CD2 3.49Å; I80-L122 HydrophobicContact CD1-CG 3.63Å; V82-L122 HydrophobicContact CG1-CD2 4.47Å; V110-L122 HydrophobicContact CG1-CD2 3.51Å; F112-L122 HydrophobicContact CB-CD2 4.33Å; L122-M125 HydrophobicContact CD1-CE 4.41Å; L122-M125 HydrophobicContact CD1-SD 4.14Å; L122-M125 HydrophobicContact CD2-CG 4.43Å |
| 123 | R | 94 | Very high | 93.4 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 23% | 0.226 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | -39.8 | 173.6 | -73.3 | -157.6 | 65.2 | -124.2 | 0.9 | 112.2 | E111 V113 T121 S164 L166 | E111-R123 HydrophobicContact CB-CB 4.38Å; E111-R123 VanDerWaalsContact CD-NH1 3.33Å; E111-R123 HydrophobicContact CG-CB 4.49Å; E111-R123 PolarHBondContact O-N 2.93Å; E111-R123 WeakPolarHBondContact OE1-CD 3.21Å; E111-R123 IonicContact OE1-CZ 3.51Å; E111-R123 IonicContact OE1-NE 3.45Å; E111-R123 IonicContact OE1-NH1 2.86Å; E111-R123 PolarHBondContact OE1-NH1 2.91Å; E111-R123 IonicContact OE2-NH1 3.57Å; E111-R123 PolarHBondContact OE2-NH1 3.26Å; V113-R123 HydrophobicContact CB-CG 4.44Å; V113-R123 HydrophobicContact CG2-CG 3.88Å; T121-R123 PolarHBondContact O-N 2.82Å; R123-S164 VanDerWaalsContact NH2-C 3.3Å; R123-S164 PolarHBondContact NH2-O 3.44Å; R123-L166 WeakPolarHBondContact O-CA 3.28Å; R123-L166 WeakPolarHBondContact O-CD2 3.42Å; R123-L166 WeakPolarHBondContact O-CG 3.1Å |
| 124 | C | 92.2 | Very high | 93.3 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 3% | 0.027 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 144.9 | -178.1 | -178.6 | 0 | 0 | 0 | 0 | 110.7 | V110 E111 P163 | V110-C124 WeakPolarHBondContact CA-O 3.12Å; E111-C124 HydrophobicContact CB-CB 3.96Å; E111-C124 PolarHBondContact N-O 3.25Å; E111-C124 PolarHBondContact O-N 3.25Å; C124-P163 HydrophobicContact CB-CG 4.09Å; C124-P163 WeakPolarHBondContact SG-CD 3.35Å; C124-P163 WeakPolarHBondContact SG-CG 3.37Å |
| 125 | M | 92.9 | Very high | 93.1 | Very high | 76 Ų | 76 | 49.4 Ų | 49.4 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 103.8 | 163.4 | -67.1 | -169.4 | -68.7 | 0 | 0 | 106.8 | V110 L122 | V110-M125 HydrophobicContact CG1-CG 4.34Å; V110-M125 HydrophobicContact CG2-CG 4.03Å; L122-M125 HydrophobicContact CD1-CE 4.41Å; L122-M125 HydrophobicContact CD1-SD 4.14Å; L122-M125 HydrophobicContact CD2-CG 4.43Å |
| 126 | D | 91.9 | Very high | 93.2 | Very high | 6 Ų | 6 | 49 Ų | 49 | 3% | 0.032 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 113.5 | 180 | -171.6 | -13.1 | 0 | 0 | 0 | 109.9 | I109 V128 | I109-D126 HydrophobicContact CB-CB 4.45Å; I109-D126 PolarHBondContact N-O 2.85Å; I109-D126 PolarHBondContact O-N 2.82Å; D126-V128 VanDerWaalsContact OD1-CB 3.28Å; D126-V128 WeakPolarHBondContact OD1-CB 3.33Å; D126-V128 VanDerWaalsContact OD1-CG1 3.24Å; D126-V128 WeakPolarHBondContact OD1-CG1 3.36Å; D126-V128 PolarHBondContact OD1-N 3.37Å |
| 127 | S | 93.5 | Very high | 93.5 | Very high | 55 Ų | 55 | 41.8 Ų | 41.8 | 39% | 0.385 | 23% | 0.233 | S | C | . | . | trans | -94.1 | 6.4 | -178.5 | -56.1 | 0 | 0 | 0 | 0 | 115.2 | Q107 L129 G130 | Q107-S127 PolarHBondContact NE2-OG 2.98Å; Q107-S127 WeakPolarHBondContact O-CA 3.44Å; Q107-S127 PolarHBondContact O-OG 2.74Å; S127-L129 PolarHBondContact O-N 3.45Å; S127-L129 VanDerWaalsContact O-N 3.15Å; S127-G130 PolarHBondContact O-N 3.32Å | ||
| 128 | V | 91 | Very high | 93.7 | Very high | 42 Ų | 42 | 41.4 Ų | 41.4 | 26% | 0.255 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -35.7 | -178.1 | 73.3 | 0 | 0 | 0 | 0 | 112.5 | D126 L160 P172 | D126-V128 VanDerWaalsContact OD1-CB 3.28Å; D126-V128 WeakPolarHBondContact OD1-CB 3.33Å; D126-V128 VanDerWaalsContact OD1-CG1 3.24Å; D126-V128 WeakPolarHBondContact OD1-CG1 3.36Å; D126-V128 PolarHBondContact OD1-N 3.37Å; V128-L160 HydrophobicContact CG1-CD2 4.35Å; V128-P172 HydrophobicContact CG2-CB 3.74Å; V128-P172 VanDerWaalsContact CG2-CD 3.48Å; V128-P172 HydrophobicContact CG2-CG 3.57Å |
| 129 | L | 91 | Very high | 93.8 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 9.3 | 176.2 | -59.7 | -169.6 | 0 | 0 | 0 | 114.1 | S127 S131 Q132 M133 V134 A149 H158 L160 | S127-L129 PolarHBondContact O-N 3.45Å; S127-L129 VanDerWaalsContact O-N 3.15Å; L129-S131 VanDerWaalsContact C-N 3.34Å; L129-S131 PolarHBondContact O-N 2.84Å; L129-Q132 HydrophobicContact CD2-CG 4.42Å; L129-Q132 WeakPolarHBondContact O-CA 3.29Å; L129-Q132 WeakPolarHBondContact O-CB 3.41Å; L129-Q132 PolarHBondContact O-N 3.14Å; L129-M133 PolarHBondContact O-N 2.9Å; L129-V134 HydrophobicContact CB-CG2 3.38Å; L129-V134 HydrophobicContact CD1-CG2 3.91Å; L129-V134 HydrophobicContact CG-CG2 4.31Å; L129-A149 HydrophobicContact CD1-CB 4.04Å; L129-H158 HydrophobicContact CD1-CB 3.86Å; L129-L160 HydrophobicContact CD1-CD1 3.72Å; L129-L160 HydrophobicContact CG-CD1 4.21Å |
| 130 | G | 88.3 | Confident | 93.7 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -57.9 | -44.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | H106 S127 Q132 M133 | H106-G130 WeakPolarHBondContact CA-O 3.44Å; H106-G130 CarbonylContact O-C 3.47Å; H106-G130 WeakPolarHBondContact O-CA 3.36Å; S127-G130 PolarHBondContact O-N 3.32Å; G130-Q132 PolarHBondContact O-N 3.19Å; G130-M133 PolarHBondContact O-N 3.46Å |
| 131 | S | 92.1 | Very high | 93.6 | Very high | 89 Ų | 89 | 45 Ų | 45 | 62% | 0.622 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -68.9 | -15 | 175.6 | 58.7 | 0 | 0 | 0 | 0 | 114 | L129 S153 | L129-S131 VanDerWaalsContact C-N 3.34Å; L129-S131 PolarHBondContact O-N 2.84Å; S131-S153 PolarHBondContact O-OG 3.2Å |
| 132 | Q | 91.3 | Very high | 93.4 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 24% | 0.238 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -92.1 | -5.9 | -177.1 | -51.6 | -54.9 | -26.9 | 0 | 0 | 113.9 | L129 G130 Y152 S153 | L129-Q132 HydrophobicContact CD2-CG 4.42Å; L129-Q132 WeakPolarHBondContact O-CA 3.29Å; L129-Q132 WeakPolarHBondContact O-CB 3.41Å; L129-Q132 PolarHBondContact O-N 3.14Å; G130-Q132 PolarHBondContact O-N 3.19Å; Q132-Y152 PolarHBondContact O-N 2.77Å; Q132-S153 PolarHBondContact O-N 3.1Å; Q132-S153 PolarHBondContact O-OG 3.03Å |
| 133 | M | 92.5 | Very high | 93.3 | Very high | 39 Ų | 39 | 50.4 Ų | 50.4 | 19% | 0.192 | 26% | 0.263 | C | S | . | . | trans | 52.5 | 87.9 | -176.3 | -60.2 | -171.8 | -61 | 0 | 0 | 111.6 | I105 L129 G130 Y135 Y152 | I105-M133 HydrophobicContact CG2-CB 4.44Å; I105-M133 HydrophobicContact CG2-CG 4.23Å; I105-M133 HydrophobicContact CG2-SD 4.5Å; L129-M133 PolarHBondContact O-N 2.9Å; G130-M133 PolarHBondContact O-N 3.46Å; M133-Y135 HydrophobicContact CB-CE2 3.95Å; M133-Y135 WeakPolarHBondContact O-CD2 3.33Å; M133-Y135 WeakPolarHBondContact O-CE2 3.31Å; M133-Y152 HydrophobicContact CE-CD1 3.16Å; M133-Y152 HydrophobicContact CE-CE1 3.59Å; M133-Y152 HydrophobicContact CE-CG 4.03Å; M133-Y152 PolarHBondContact O-N 2.96Å; M133-Y152 VanDerWaalsContact O-N 3.1Å | ||
| 134 | V | 93.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 124.1 | -179.6 | -168.1 | 0 | 0 | 0 | 0 | 110 | A103 I109 L129 A136 A149 S150 | A103-V134 HydrophobicContact CB-CB 4.16Å; A103-V134 HydrophobicContact CB-CG1 3.66Å; I109-V134 HydrophobicContact CD1-CG1 3.89Å; L129-V134 HydrophobicContact CB-CG2 3.38Å; L129-V134 HydrophobicContact CD1-CG2 3.91Å; L129-V134 HydrophobicContact CG-CG2 4.31Å; V134-A136 WeakPolarHBondContact CG1-O 3.3Å; V134-A149 HydrophobicContact CG1-CB 3.96Å; V134-S150 WeakPolarHBondContact CA-O 3.45Å; V134-S150 WeakPolarHBondContact CG1-O 3.06Å |
| 135 | Y | 92.4 | Very high | 93.4 | Very high | 72 Ų | 72 | 53.5 Ų | 53.5 | 28% | 0.282 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -31.8 | -179.5 | -77.8 | -90.5 | 0 | 0 | 0 | 112.8 | W87 I105 M133 S150 Y152 | W87-Y135 AromaticContact CD1-CD1 3.87Å; W87-Y135 HydrophobicContact CD2-CD1 4.13Å; W87-Y135 HydrophobicContact CD2-CE1 4.44Å; W87-Y135 AromaticContact CE2-CD1 3.7Å; W87-Y135 AromaticContact CE2-CE1 3.98Å; W87-Y135 HydrophobicContact CG-CD1 4.17Å; W87-Y135 HydrophobicContact CZ2-CD1 4.21Å; W87-Y135 HydrophobicContact CZ2-CE1 4.05Å; W87-Y135 AromaticContact NE1-CD1 3.54Å; I105-Y135 HydrophobicContact CD1-CE1 4.13Å; M133-Y135 HydrophobicContact CB-CE2 3.95Å; M133-Y135 WeakPolarHBondContact O-CD2 3.33Å; M133-Y135 WeakPolarHBondContact O-CE2 3.31Å; Y135-S150 PolarHBondContact N-O 2.89Å; Y135-Y152 HydrophobicContact CD2-CG 4.49Å; Y135-Y152 HydrophobicContact CE2-CD2 4.03Å; Y135-Y152 AromaticContact CE2-CG 3.75Å; Y135-Y152 HydrophobicContact CE2-CG 3.75Å |
| 136 | A | 95.8 | Very high | 93.5 | Very high | 42 Ų | 42 | 50.4 Ų | 50.4 | 35% | 0.347 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 144.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T88 V134 A149 S150 | T88-A136 HydrophobicContact CG2-CB 4.27Å; V134-A136 WeakPolarHBondContact CG1-O 3.3Å; A136-A149 CarbonylContact O-C 3.5Å; A136-A149 VanDerWaalsContact O-CA 3.22Å; A136-A149 WeakPolarHBondContact O-CA 3.36Å; A136-S150 VanDerWaalsContact CB-OG 3.29Å; A136-S150 WeakPolarHBondContact CB-OG 3.16Å; A136-S150 PolarHBondContact N-OG 3.28Å; A136-S150 PolarHBondContact O-N 3.43Å |
| 137 | A | 97 | Very high | 93.8 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 3% | 0.025 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 142.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | R90 V101 A103 I109 V148 | R90-A137 VanDerWaalsContact CG-O 3.3Å; R90-A137 WeakPolarHBondContact CG-O 3.25Å; V101-A137 HydrophobicContact CG1-CB 4.37Å; V101-A137 HydrophobicContact CG2-CB 4.24Å; A103-A137 HydrophobicContact CB-CB 3.95Å; I109-A137 HydrophobicContact CD1-CB 3.75Å; A137-V148 CarbonylContact C-O 3.58Å; A137-V148 VanDerWaalsContact CA-O 3.23Å; A137-V148 WeakPolarHBondContact CA-O 3.42Å |
| 138 | D | 97.2 | Very high | 94 | Very high | 69 Ų | 69 | 49.9 Ų | 49.9 | 37% | 0.369 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 160.6 | 174.6 | -147.5 | -18.2 | 0 | 0 | 0 | 110.9 | R90 I147 V148 | R90-D138 WeakPolarHBondContact CB-OD1 3.47Å; R90-D138 HydrophobicContact CG-CB 4.28Å; R90-D138 WeakPolarHBondContact CG-OD1 3.42Å; R90-D138 IonicContact NE-OD2 3.65Å; D138-I147 CarbonylContact O-C 3.56Å; D138-I147 VanDerWaalsContact O-CA 3.25Å; D138-I147 WeakPolarHBondContact O-CA 3.21Å; D138-I147 VanDerWaalsContact O-CB 3.31Å; D138-I147 WeakPolarHBondContact O-CB 3.45Å; D138-V148 HydrophobicContact CB-CG1 4.1Å; D138-V148 PolarHBondContact N-O 2.9Å; D138-V148 PolarHBondContact O-N 3Å |
| 139 | W | 96.7 | Very high | 94.3 | Very high | 27 Ų | 27 | 48 Ų | 48 | 10% | 0.102 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 132.4 | 179.4 | -64.1 | 90.9 | 0 | 0 | 0 | 111.3 | R90 D92 R99 V101 E111 P142 I147 L162 | R90-W139 PolarHBondContact O-NE1 2.95Å; D92-W139 HydrophobicContact CB-CD2 3.57Å; D92-W139 HydrophobicContact CB-CE3 4.13Å; D92-W139 HydrophobicContact CB-CG 3.85Å; D92-W139 HydrophobicContact CB-CZ2 4.01Å; R99-W139 HydrophobicContact CG-CH2 4.06Å; R99-W139 HydrophobicContact CG-CZ2 3.9Å; V101-W139 HydrophobicContact CB-CH2 4.44Å; V101-W139 HydrophobicContact CB-CZ2 3.69Å; V101-W139 HydrophobicContact CG1-CD2 4.43Å; V101-W139 HydrophobicContact CG1-CG 4.45Å; V101-W139 HydrophobicContact CG1-CZ2 4.25Å; E111-W139 HydrophobicContact CG-CH2 4.09Å; E111-W139 HydrophobicContact CG-CZ2 4.31Å; W139-P142 HydrophobicContact CB-CG 3.98Å; W139-P142 HydrophobicContact CE3-CB 4.35Å; W139-P142 HydrophobicContact CE3-CG 4.43Å; W139-P142 HydrophobicContact CG-CG 4.47Å; W139-I147 HydrophobicContact CD2-CG2 4.01Å; W139-I147 HydrophobicContact CE3-CG2 3.58Å; W139-I147 HydrophobicContact CH2-CG2 4.39Å; W139-I147 HydrophobicContact CZ3-CG2 3.78Å; W139-L162 HydrophobicContact CH2-CD1 3.84Å; W139-L162 HydrophobicContact CZ3-CD1 4.08Å |
| 140 | F | 95 | Very high | 94.5 | Very high | 143 Ų | 143 | 49.8 Ų | 49.8 | 63% | 0.627 | 26% | 0.262 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -50.9 | 175 | 175 | -111.2 | 0 | 0 | 0 | 111.4 | S146 L159 | F140-S146 PolarHBondContact N-O 3.2Å; F140-L159 HydrophobicContact CB-CD1 4.29Å; F140-L159 HydrophobicContact CD1-CD1 3.76Å; F140-L159 HydrophobicContact CE1-CD1 4.4Å; F140-L159 HydrophobicContact CG-CD1 4.14Å |
| 141 | C | 94.9 | Very high | 94.8 | Very high | 36 Ų | 36 | 50 Ų | 50 | 24% | 0.243 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 86 | 173.6 | -171.3 | 0 | 0 | 0 | 0 | 109.5 | K143 E144 N145 S146 | C141-K143 VanDerWaalsContact C-N 3.27Å; C141-K143 PolarHBondContact O-N 2.97Å; C141-E144 HydrophobicContact CB-CB 4.27Å; C141-E144 CarbonylContact O-C 3.54Å; C141-E144 PolarHBondContact O-N 2.89Å; C141-N145 PolarHBondContact O-N 2.51Å; C141-S146 PolarHBondContact N-O 3Å; C141-S146 PolarHBondContact O-N 2.92Å |
| 142 | P | 93.7 | Very high | 95 | Very high | 28 Ų | 28 | 52.8 Ų | 52.8 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -51.2 | -41.7 | -178.2 | -30.9 | 34.1 | 0 | 0 | 0 | 114.9 | D92 R99 W139 E144 N145 | D92-P142 HydrophobicContact CB-CB 3.98Å; D92-P142 HydrophobicContact CB-CG 4.1Å; D92-P142 WeakPolarHBondContact O-CG 3.28Å; R99-P142 PolarHBondContact NH1-O 2.87Å; W139-P142 HydrophobicContact CB-CG 3.98Å; W139-P142 HydrophobicContact CE3-CB 4.35Å; W139-P142 HydrophobicContact CE3-CG 4.43Å; W139-P142 HydrophobicContact CG-CG 4.47Å; P142-E144 PolarHBondContact O-N 3.08Å; P142-N145 PolarHBondContact O-N 2.71Å; P142-N145 PolarHBondContact O-OD1 2.86Å |
| 143 | K | 92.2 | Very high | 95.1 | Very high | 205 Ų | 205 | 53.1 Ų | 53.1 | 89% | 0.891 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -62 | -27.5 | -179.6 | -66.9 | -177.6 | -179.5 | 176.3 | 0 | 112.6 | C141 | C141-K143 VanDerWaalsContact C-N 3.27Å; C141-K143 PolarHBondContact O-N 2.97Å |
| 144 | E | 93.6 | Very high | 95.3 | Very high | 105 Ų | 105 | 53.1 Ų | 53.1 | 49% | 0.491 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -104.8 | 13.9 | 177.8 | -65.6 | -173.7 | -148.7 | 0 | 0 | 112.8 | C141 P142 S146 R161 | C141-E144 HydrophobicContact CB-CB 4.27Å; C141-E144 CarbonylContact O-C 3.54Å; C141-E144 PolarHBondContact O-N 2.89Å; P142-E144 PolarHBondContact O-N 3.08Å; E144-S146 PolarHBondContact O-N 3.5Å; E144-S146 VanDerWaalsContact O-N 3.13Å; E144-S146 PolarHBondContact O-OG 3.15Å; E144-R161 PolarHBondContact O-NE 3.15Å; E144-R161 IonicContact OE2-NH2 3.22Å; E144-R161 PolarHBondContact OE2-NH2 2.68Å |
| 145 | N | 94.4 | Very high | 95.4 | Very high | 23 Ų | 23 | 63.7 Ų | 63.7 | 12% | 0.123 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 29.4 | -175.9 | -61.2 | -30.1 | 0 | 0 | 0 | 113.8 | R99 C141 P142 R161 L162 S164 | R99-N145 VanDerWaalsContact CZ-OD1 3.23Å; R99-N145 PolarHBondContact NH1-OD1 2.92Å; R99-N145 PolarHBondContact NH2-OD1 3.33Å; C141-N145 PolarHBondContact O-N 2.51Å; P142-N145 PolarHBondContact O-N 2.71Å; P142-N145 PolarHBondContact O-OD1 2.86Å; N145-R161 HydrophobicContact CB-CG 4.44Å; N145-R161 CarbonylContact O-C 3.5Å; N145-R161 WeakPolarHBondContact O-CA 3.4Å; N145-L162 HydrophobicContact CB-CB 4.18Å; N145-L162 WeakPolarHBondContact CB-O 3.47Å; N145-L162 PolarHBondContact O-N 2.78Å; N145-S164 PolarHBondContact ND2-OG 2.84Å |
| 146 | S | 95.7 | Very high | 95.6 | Very high | 11 Ų | 11 | 66.4 Ų | 66.4 | 8% | 0.077 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.7 | -175.6 | -55.7 | 0 | 0 | 0 | 0 | 111.1 | F140 C141 E144 L160 | F140-S146 PolarHBondContact N-O 3.2Å; C141-S146 PolarHBondContact N-O 3Å; C141-S146 PolarHBondContact O-N 2.92Å; E144-S146 PolarHBondContact O-N 3.5Å; E144-S146 VanDerWaalsContact O-N 3.13Å; E144-S146 PolarHBondContact O-OG 3.15Å; S146-L160 CarbonylContact C-O 3.6Å; S146-L160 VanDerWaalsContact CA-O 3.31Å; S146-L160 WeakPolarHBondContact CA-O 3.28Å |
| 147 | I | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 156.9 | 179.8 | 63.9 | 167.5 | 0 | 0 | 0 | 110 | V101 I109 D138 W139 L160 L162 | V101-I147 HydrophobicContact CG2-CD1 3.99Å; V101-I147 HydrophobicContact CG2-CG2 4.33Å; I109-I147 HydrophobicContact CB-CD1 4.34Å; I109-I147 HydrophobicContact CD1-CD1 4.07Å; I109-I147 HydrophobicContact CG1-CD1 3.95Å; I109-I147 HydrophobicContact CG2-CD1 3.61Å; D138-I147 CarbonylContact O-C 3.56Å; D138-I147 VanDerWaalsContact O-CA 3.25Å; D138-I147 WeakPolarHBondContact O-CA 3.21Å; D138-I147 VanDerWaalsContact O-CB 3.31Å; D138-I147 WeakPolarHBondContact O-CB 3.45Å; W139-I147 HydrophobicContact CD2-CG2 4.01Å; W139-I147 HydrophobicContact CE3-CG2 3.58Å; W139-I147 HydrophobicContact CH2-CG2 4.39Å; W139-I147 HydrophobicContact CZ3-CG2 3.78Å; I147-L160 HydrophobicContact CD1-CB 4.26Å; I147-L160 HydrophobicContact CD1-CD1 4.22Å; I147-L160 HydrophobicContact CG1-CB 3.81Å; I147-L160 PolarHBondContact N-O 2.87Å; I147-L160 PolarHBondContact O-N 2.8Å; I147-L162 HydrophobicContact CD1-CD1 4.2Å; I147-L162 HydrophobicContact CD1-CD2 3.91Å; I147-L162 HydrophobicContact CD1-CG 4.06Å; I147-L162 HydrophobicContact CG1-CG 4.31Å; I147-L162 HydrophobicContact CG2-CD1 3.86Å; I147-L162 HydrophobicContact CG2-CG 4.31Å |
| 148 | V | 97.7 | Very high | 95.6 | Very high | 51 Ų | 51 | 71 Ų | 71 | 31% | 0.309 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 138.8 | 167.6 | 63.7 | 0 | 0 | 0 | 0 | 108.8 | A137 D138 V157 H158 | A137-V148 CarbonylContact C-O 3.58Å; A137-V148 VanDerWaalsContact CA-O 3.23Å; A137-V148 WeakPolarHBondContact CA-O 3.42Å; D138-V148 HydrophobicContact CB-CG1 4.1Å; D138-V148 PolarHBondContact N-O 2.9Å; D138-V148 PolarHBondContact O-N 3Å; V148-V157 HydrophobicContact CG2-CG1 3.25Å; V148-H158 CarbonylContact C-O 3.44Å; V148-H158 WeakPolarHBondContact CA-O 3.24Å |
| 149 | A | 97.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 72.5 Ų | 72.5 | 2% | 0.017 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 146.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | I109 L129 V134 A136 V157 H158 L160 | I109-A149 HydrophobicContact CD1-CB 3.95Å; L129-A149 HydrophobicContact CD1-CB 4.04Å; V134-A149 HydrophobicContact CG1-CB 3.96Å; A136-A149 CarbonylContact O-C 3.5Å; A136-A149 VanDerWaalsContact O-CA 3.22Å; A136-A149 WeakPolarHBondContact O-CA 3.36Å; A149-V157 CarbonylContact O-C 3.58Å; A149-V157 VanDerWaalsContact O-CA 3.28Å; A149-V157 WeakPolarHBondContact O-CA 3.47Å; A149-H158 HydrophobicContact CB-CB 4.47Å; A149-H158 PolarHBondContact N-O 3.07Å; A149-H158 PolarHBondContact O-N 2.82Å; A149-L160 HydrophobicContact CB-CD1 4.29Å |
| 150 | S | 96.5 | Very high | 95.4 | Very high | 43 Ų | 43 | 71.8 Ų | 71.8 | 30% | 0.301 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 134.5 | 173.2 | 64.9 | 0 | 0 | 0 | 0 | 110.3 | V134 Y135 A136 | V134-S150 WeakPolarHBondContact CA-O 3.45Å; V134-S150 WeakPolarHBondContact CG1-O 3.06Å; Y135-S150 PolarHBondContact N-O 2.89Å; A136-S150 VanDerWaalsContact CB-OG 3.29Å; A136-S150 WeakPolarHBondContact CB-OG 3.16Å; A136-S150 PolarHBondContact N-OG 3.28Å; A136-S150 PolarHBondContact O-N 3.43Å |
| 151 | S | 94.9 | Very high | 95.4 | Very high | 10 Ų | 10 | 71 Ų | 71 | 7% | 0.07 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 150.5 | -174.7 | 46.5 | 0 | 0 | 0 | 0 | 111.4 | D154 R155 K156 H158 | S151-D154 VanDerWaalsContact CB-OD1 3.25Å; S151-D154 WeakPolarHBondContact CB-OD1 3.4Å; S151-D154 PolarHBondContact OG-OD1 2.89Å; S151-R155 WeakPolarHBondContact O-CA 3.31Å; S151-K156 PolarHBondContact N-O 2.97Å; S151-K156 VanDerWaalsContact N-O 3.07Å; S151-K156 PolarHBondContact OG-O 3.2Å; S151-H158 PolarHBondContact OG-CD2 3.23Å; S151-H158 PolarHBondContact OG-NE2 3.05Å |
| 152 | Y | 95 | Very high | 95.3 | Very high | 148 Ų | 148 | 69.4 Ų | 69.4 | 58% | 0.58 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -89.2 | -48 | -175.2 | 171.9 | -86.4 | 0 | 0 | 0 | 113.1 | Q132 M133 Y135 D154 R155 | Q132-Y152 PolarHBondContact O-N 2.77Å; M133-Y152 HydrophobicContact CE-CD1 3.16Å; M133-Y152 HydrophobicContact CE-CE1 3.59Å; M133-Y152 HydrophobicContact CE-CG 4.03Å; M133-Y152 PolarHBondContact O-N 2.96Å; M133-Y152 VanDerWaalsContact O-N 3.1Å; Y135-Y152 HydrophobicContact CD2-CG 4.49Å; Y135-Y152 HydrophobicContact CE2-CD2 4.03Å; Y135-Y152 AromaticContact CE2-CG 3.75Å; Y135-Y152 HydrophobicContact CE2-CG 3.75Å; Y152-D154 PolarHBondContact O-N 3.09Å; Y152-R155 VanDerWaalsContact O-CG 3.3Å; Y152-R155 WeakPolarHBondContact O-CG 3.15Å; Y152-R155 PolarHBondContact O-N 3.15Å |
| 153 | S | 94.9 | Very high | 95.1 | Very high | 58 Ų | 58 | 69 Ų | 69 | 41% | 0.406 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -65.7 | -40.2 | -167.9 | -55.1 | 0 | 0 | 0 | 0 | 112.2 | S131 Q132 | S131-S153 PolarHBondContact O-OG 3.2Å; Q132-S153 PolarHBondContact O-N 3.1Å; Q132-S153 PolarHBondContact O-OG 3.03Å |
| 154 | D | 95.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 63.9 Ų | 63.9 | 21% | 0.209 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -96 | -8.4 | 176.6 | 64.5 | -6 | 0 | 0 | 0 | 113.5 | S151 Y152 K156 H158 | S151-D154 VanDerWaalsContact CB-OD1 3.25Å; S151-D154 WeakPolarHBondContact CB-OD1 3.4Å; S151-D154 PolarHBondContact OG-OD1 2.89Å; Y152-D154 PolarHBondContact O-N 3.09Å; D154-K156 VanDerWaalsContact C-N 3.3Å; D154-K156 HydrophobicContact CB-CD 4.35Å; D154-K156 HydrophobicContact CB-CG 4.38Å; D154-K156 PolarHBondContact O-N 3.01Å; D154-K156 PolarHBondContact OD1-N 3.24Å; D154-H158 IonicContact OD1-NE2 2.92Å; D154-H158 IonicContact OD2-CE1 2.75Å; D154-H158 PolarHBondContact OD2-CE1 3.48Å; D154-H158 IonicContact OD2-NE2 3.33Å; D154-H158 PolarHBondContact OD2-NE2 3.02Å |
| 155 | R | 95.8 | Very high | 92.9 | Very high | 223 Ų | 223 | 60.2 Ų | 60.2 | 84% | 0.842 | 31% | 0.308 | S | S | * | . | trans | 57.5 | 39.8 | 179.2 | -53.8 | 172.2 | -68.4 | -177.7 | -0.9 | 112.9 | S151 Y152 | S151-R155 WeakPolarHBondContact O-CA 3.31Å; Y152-R155 VanDerWaalsContact O-CG 3.3Å; Y152-R155 WeakPolarHBondContact O-CG 3.15Å; Y152-R155 PolarHBondContact O-N 3.15Å | ||
| 156 | K | 96.1 | Very high | 91 | Very high | 128 Ų | 128 | 65.5 Ų | 65.5 | 56% | 0.557 | 34% | 0.336 | S | S | * | . | trans | -114.4 | 160.5 | -177 | -71 | -179.4 | -177.4 | -178.9 | 0 | 112.3 | S151 D154 | S151-K156 PolarHBondContact N-O 2.97Å; S151-K156 VanDerWaalsContact N-O 3.07Å; S151-K156 PolarHBondContact OG-O 3.2Å; D154-K156 VanDerWaalsContact C-N 3.3Å; D154-K156 HydrophobicContact CB-CD 4.35Å; D154-K156 HydrophobicContact CB-CG 4.38Å; D154-K156 PolarHBondContact O-N 3.01Å; D154-K156 PolarHBondContact OD1-N 3.24Å | ||
| 157 | V | 96.4 | Very high | 88.8 | Confident | 108 Ų | 108 | 70.3 Ų | 70.3 | 66% | 0.655 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.3 | 160.5 | 178.5 | 0 | 0 | 0 | 0 | 107.2 | V148 A149 | V148-V157 HydrophobicContact CG2-CG1 3.25Å; A149-V157 CarbonylContact O-C 3.58Å; A149-V157 VanDerWaalsContact O-CA 3.28Å; A149-V157 WeakPolarHBondContact O-CA 3.47Å |
| 158 | H | 96.4 | Very high | 86.2 | Confident | 35 Ų | 35 | 79.8 Ų | 79.8 | 16% | 0.162 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.5 | -178 | -63.1 | -92 | 0 | 0 | 0 | 109.5 | L129 V148 A149 S151 D154 L160 | L129-H158 HydrophobicContact CD1-CB 3.86Å; V148-H158 CarbonylContact C-O 3.44Å; V148-H158 WeakPolarHBondContact CA-O 3.24Å; A149-H158 HydrophobicContact CB-CB 4.47Å; A149-H158 PolarHBondContact N-O 3.07Å; A149-H158 PolarHBondContact O-N 2.82Å; S151-H158 PolarHBondContact OG-CD2 3.23Å; S151-H158 PolarHBondContact OG-NE2 3.05Å; D154-H158 IonicContact OD1-NE2 2.92Å; D154-H158 IonicContact OD2-CE1 2.75Å; D154-H158 PolarHBondContact OD2-CE1 3.48Å; D154-H158 IonicContact OD2-NE2 3.33Å; D154-H158 PolarHBondContact OD2-NE2 3.02Å; H158-L160 HydrophobicContact CB-CD2 4.27Å; H158-L160 HydrophobicContact CB-CG 4.22Å |
| 159 | L | 96.3 | Very high | 83.3 | Confident | 100 Ų | 100 | 81.9 Ų | 81.9 | 52% | 0.524 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120.7 | 164.8 | -174.8 | 72.4 | 0 | 0 | 0 | 107.5 | F140 | F140-L159 HydrophobicContact CB-CD1 4.29Å; F140-L159 HydrophobicContact CD1-CD1 3.76Å; F140-L159 HydrophobicContact CE1-CD1 4.4Å; F140-L159 HydrophobicContact CG-CD1 4.14Å |
| 160 | L | 95 | Very high | 80.5 | Confident | 11 Ų | 11 | 84.1 Ų | 84.1 | 6% | 0.058 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 148.4 | -177.2 | -56.1 | 172.5 | 0 | 0 | 0 | 109.9 | I109 V128 L129 S146 I147 A149 H158 | I109-L160 HydrophobicContact CG1-CD1 3.78Å; V128-L160 HydrophobicContact CG1-CD2 4.35Å; L129-L160 HydrophobicContact CD1-CD1 3.72Å; L129-L160 HydrophobicContact CG-CD1 4.21Å; S146-L160 CarbonylContact C-O 3.6Å; S146-L160 VanDerWaalsContact CA-O 3.31Å; S146-L160 WeakPolarHBondContact CA-O 3.28Å; I147-L160 HydrophobicContact CD1-CB 4.26Å; I147-L160 HydrophobicContact CD1-CD1 4.22Å; I147-L160 HydrophobicContact CG1-CB 3.81Å; I147-L160 PolarHBondContact N-O 2.87Å; I147-L160 PolarHBondContact O-N 2.8Å; A149-L160 HydrophobicContact CB-CD1 4.29Å; H158-L160 HydrophobicContact CB-CD2 4.27Å; H158-L160 HydrophobicContact CB-CG 4.22Å |
| 161 | R | 95 | Very high | 77.7 | Confident | 128 Ų | 128 | 89.3 Ų | 89.3 | 48% | 0.483 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 114.4 | 168.6 | 179.2 | 174.3 | -93.3 | 159.2 | -3.4 | 109 | E144 N145 L173 | E144-R161 PolarHBondContact O-NE 3.15Å; E144-R161 IonicContact OE2-NH2 3.22Å; E144-R161 PolarHBondContact OE2-NH2 2.68Å; N145-R161 HydrophobicContact CB-CG 4.44Å; N145-R161 CarbonylContact O-C 3.5Å; N145-R161 WeakPolarHBondContact O-CA 3.4Å; R161-L173 HydrophobicContact CB-CD1 4Å |
| 162 | L | 92.9 | Very high | 74.8 | Confident | 2 Ų | 2 | 92.4 Ų | 92.4 | 1% | 0.01 | 48% | 0.477 | C | S | . | . | trans | -70.7 | 145.1 | 176.3 | -61.3 | 176 | 0 | 0 | 0 | 110.9 | V101 I109 E111 W139 N145 I147 | V101-L162 HydrophobicContact CG2-CD1 4.33Å; I109-L162 HydrophobicContact CG2-CD2 3.84Å; E111-L162 HydrophobicContact CB-CD1 4.13Å; E111-L162 HydrophobicContact CG-CD1 4.18Å; W139-L162 HydrophobicContact CH2-CD1 3.84Å; W139-L162 HydrophobicContact CZ3-CD1 4.08Å; N145-L162 HydrophobicContact CB-CB 4.18Å; N145-L162 WeakPolarHBondContact CB-O 3.47Å; N145-L162 PolarHBondContact O-N 2.78Å; I147-L162 HydrophobicContact CD1-CD1 4.2Å; I147-L162 HydrophobicContact CD1-CD2 3.91Å; I147-L162 HydrophobicContact CD1-CG 4.06Å; I147-L162 HydrophobicContact CG1-CG 4.31Å; I147-L162 HydrophobicContact CG2-CD1 3.86Å; I147-L162 HydrophobicContact CG2-CG 4.31Å | ||
| 163 | P | 87.7 | Confident | 72.1 | Confident | 20 Ų | 20 | 90.8 Ų | 90.8 | 13% | 0.13 | 48% | 0.478 | C | S | . | . | trans | -65.4 | 144.6 | 177.7 | 27 | -34.1 | 0 | 0 | 0 | 111.3 | C124 G165 N167 | C124-P163 HydrophobicContact CB-CG 4.09Å; C124-P163 WeakPolarHBondContact SG-CD 3.35Å; C124-P163 WeakPolarHBondContact SG-CG 3.37Å; P163-G165 PolarHBondContact O-N 3.15Å; P163-G165 VanDerWaalsContact O-N 3.14Å; P163-N167 HydrophobicContact CB-CB 4.26Å | ||
| 164 | S | 76.3 | Confident | 69.2 | Low | 97 Ų | 97 | 94.1 Ų | 94.1 | 68% | 0.678 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -70.9 | -4.4 | 179.3 | -51.9 | 0 | 0 | 0 | 0 | 114 | R123 N145 | R123-S164 VanDerWaalsContact NH2-C 3.3Å; R123-S164 PolarHBondContact NH2-O 3.44Å; N145-S164 PolarHBondContact ND2-OG 2.84Å |
| 165 | G | 63.7 | Low | 66.2 | Low | 27 Ų | 27 | 97.5 Ų | 97.5 | 28% | 0.278 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -154.2 | 177.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P163 N167 | P163-G165 PolarHBondContact O-N 3.15Å; P163-G165 VanDerWaalsContact O-N 3.14Å; G165-N167 PolarHBondContact O-N 3.13Å |
| 166 | L | 55.5 | Low | 63.2 | Low | 135 Ų | 135 | 93.1 Ų | 93.1 | 71% | 0.707 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -64.3 | 79.1 | 175.5 | -90.5 | 154.8 | 0 | 0 | 0 | 110.5 | R123 | R123-L166 WeakPolarHBondContact O-CA 3.28Å; R123-L166 WeakPolarHBondContact O-CD2 3.42Å; R123-L166 WeakPolarHBondContact O-CG 3.1Å |
| 167 | N | 48.1 | Very low | 60.3 | Low | 111 Ų | 111 | 94.4 Ų | 94.4 | 59% | 0.594 | 53% | 0.531 | S | S | * | . | trans | -112.7 | 128.8 | 169.3 | -76.3 | -11.9 | 0 | 0 | 0 | 108.3 | P163 G165 | P163-N167 HydrophobicContact CB-CB 4.26Å; G165-N167 PolarHBondContact O-N 3.13Å | ||
| 168 | K | 43 | Very low | 57.2 | Low | 199 Ų | 199 | 95.2 Ų | 95.2 | 87% | 0.865 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -71.5 | 125.4 | 164.6 | -73.8 | -175.4 | 175.1 | -175.9 | 0 | 108 | ||
| 169 | C | 37.4 | Very low | 54.3 | Low | 95 Ų | 95 | 101.7 Ų | 101.7 | 64% | 0.642 | 58% | 0.575 | S | S | * | * | trans | 60.2 | 122.8 | 171.1 | -65.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 170 | S | 38.9 | Very low | 51.5 | Low | 50 Ų | 50 | 101.5 Ų | 101.5 | 35% | 0.35 | 58% | 0.582 | S | S | . | * | trans | -124.8 | 139.9 | 156.4 | 45.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 171 | D | 36.9 | Very low | 48.7 | Very low | 151 Ų | 151 | 109.7 Ų | 109.7 | 81% | 0.807 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 148.6 | -179.7 | -67.9 | -47.2 | 0 | 0 | 0 | 112.2 | L173 | D171-L173 PolarHBondContact O-N 2.77Š|
| 172 | P | 35.2 | Very low | 46 | Very low | 75 Ų | 75 | 110.4 Ų | 110.4 | 49% | 0.487 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 128.4 | -179.7 | 23.6 | -24.9 | 0 | 0 | 0 | 110 | V128 V174 | V128-P172 HydrophobicContact CG2-CB 3.74Å; V128-P172 VanDerWaalsContact CG2-CD 3.48Å; V128-P172 HydrophobicContact CG2-CG 3.57Å; P172-V174 PolarHBondContact O-N 3.05Å |
| 173 | L | 37.4 | Very low | 43.5 | Very low | 114 Ų | 114 | 115 Ų | 115 | 60% | 0.597 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 121.2 | 170.5 | -72.7 | 165.4 | 0 | 0 | 0 | 108.3 | R161 D171 | R161-L173 HydrophobicContact CB-CD1 4Å; D171-L173 PolarHBondContact O-N 2.77Å |
| 174 | V | 34.3 | Very low | 41.4 | Very low | 129 Ų | 129 | 119.3 Ų | 119.3 | 78% | 0.782 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 127.5 | 174 | -179.6 | 0 | 0 | 0 | 0 | 108 | P172 T176 | P172-V174 PolarHBondContact O-N 3.05Å; V174-T176 PolarHBondContact O-N 2.75Å; V174-T176 VanDerWaalsContact O-N 3.15Å |
| 175 | P | 32.6 | Very low | 39.6 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 71% | 0.708 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 122 | 173.5 | -17.4 | 29.1 | 0 | 0 | 0 | 108.3 | D177 | P175-D177 PolarHBondContact O-N 2.96Å; P175-D177 VanDerWaalsContact O-N 3.1Å |
| 176 | T | 33.1 | Very low | 38.7 | Very low | 132 Ų | 132 | 127.5 Ų | 127.5 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 116.7 | 164.9 | 45 | 0 | 0 | 0 | 0 | 107.3 | V174 C178 | V174-T176 PolarHBondContact O-N 2.75Å; V174-T176 VanDerWaalsContact O-N 3.15Å; T176-C178 PolarHBondContact O-N 3.22Å; T176-C178 VanDerWaalsContact O-N 3.15Å |
| 177 | D | 33.8 | Very low | 37.7 | Very low | 155 Ų | 155 | 124 Ų | 124 | 83% | 0.829 | 72% | 0.721 | S | S | * | * | trans | -41.8 | 121 | 177.8 | -75.9 | -41.8 | 0 | 0 | 0 | 110.2 | P175 L179 | P175-D177 PolarHBondContact O-N 2.96Å; P175-D177 VanDerWaalsContact O-N 3.1Å; D177-L179 PolarHBondContact O-N 2.86Å; D177-L179 VanDerWaalsContact O-N 3.09Å | ||
| 178 | C | 32.3 | Very low | 37.4 | Very low | 125 Ų | 125 | 132 Ų | 132 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -56.6 | 117.4 | 167.3 | -62.7 | 0 | 0 | 0 | 0 | 106.8 | T176 S180 | T176-C178 PolarHBondContact O-N 3.22Å; T176-C178 VanDerWaalsContact O-N 3.15Å; C178-S180 PolarHBondContact O-N 3.45Å | ||
| 179 | L | 34.6 | Very low | 37.1 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | trans | -43.8 | 111.2 | 175.9 | -70.4 | 163.2 | 0 | 0 | 0 | 109.2 | D177 E181 | D177-L179 PolarHBondContact O-N 2.86Å; D177-L179 VanDerWaalsContact O-N 3.09Å; L179-E181 PolarHBondContact O-N 3.14Å | ||
| 180 | S | 37.9 | Very low | 37.1 | Very low | 97 Ų | 97 | 130.4 Ų | 130.4 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | -65.6 | 113 | 174.4 | 49.1 | 0 | 0 | 0 | 0 | 108.6 | C178 D182 | C178-S180 PolarHBondContact O-N 3.45Å; S180-D182 PolarHBondContact O-N 2.78Å | ||
| 181 | E | 36.1 | Very low | 37 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 85% | 0.85 | 78% | 0.778 | S | S | * | * | trans | -71.5 | 77.5 | 167.6 | -67.9 | -175.6 | 145.7 | 0 | 0 | 109.5 | L179 S183 | L179-E181 PolarHBondContact O-N 3.14Å; E181-S183 PolarHBondContact O-N 3.22Å | ||
| 182 | D | 38.6 | Very low | 37 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -77.6 | 79 | 163.9 | -80 | -19.7 | 0 | 0 | 0 | 108.6 | S180 T184 | S180-D182 PolarHBondContact O-N 2.78Å; D182-T184 PolarHBondContact O-N 2.92Å | ||
| 183 | S | 41.2 | Very low | 37.2 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | -92.3 | 79.3 | 166.3 | 54.6 | 0 | 0 | 0 | 0 | 109.6 | E181 C185 | E181-S183 PolarHBondContact O-N 3.22Å; S183-C185 PolarHBondContact O-N 3.29Å | ||
| 184 | T | 41.9 | Very low | 37.1 | Very low | 110 Ų | 110 | 139.2 Ų | 139.2 | 68% | 0.675 | 81% | 0.807 | S | S | * | * | trans | -71 | 95.4 | 171.1 | -0.3 | 0 | 0 | 0 | 0 | 109.5 | D182 H186 | D182-T184 PolarHBondContact O-N 2.92Å; T184-H186 PolarHBondContact O-N 3.35Å | ||
| 185 | C | 39.5 | Very low | 37.3 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -74.7 | 95.7 | 164 | -70.6 | 0 | 0 | 0 | 0 | 108.7 | S183 G187 | S183-C185 PolarHBondContact O-N 3.29Å; C185-G187 PolarHBondContact O-N 2.75Å | ||
| 186 | H | 45.1 | Very low | 37.7 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | trans | -76.1 | 107.6 | 164.3 | -76.4 | -72 | 0 | 0 | 0 | 108.7 | T184 | T184-H186 PolarHBondContact O-N 3.35Š| ||
| 187 | G | 34.1 | Very low | 38.1 | Very low | 63 Ų | 63 | 143.2 Ų | 143.2 | 65% | 0.649 | 82% | 0.817 | S | S | * | * | trans | -85.6 | 155.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | C185 | C185-G187 PolarHBondContact O-N 2.75Š| ||
| 188 | E | 42.2 | Very low | 38.5 | Very low | 278 Ų | 278 | 142.1 Ų | 142.1 | 100% | 1.299 | 82% | 0.816 | S | S | * | * | trans | 86.1 | 0 | -176.1 | -54.5 | -168.6 | 153.2 | 0 | 0 | 116.8 |
Retrieved 188 of 188 residues in 39.6 ms
(Link to these results)