| 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 | 63.6 | Low | 71.3 | Confident | 50 Ų | 50 | 39.5 Ų | 39.5 | 25% | 0.246 | 21% | 0.213 | C | C | . | . | 0 | 143.6 | 0 | -96.7 | 161.4 | 136.5 | 0 | 0 | 109.2 | L107 L141 I143 I195 | M1-L107 HydrophobicContact CE-CD2 4.26Å; M1-L107 HydrophobicContact CG-CD2 3.75Å; M1-L141 HydrophobicContact CE-CD2 3.55Å; M1-L141 HydrophobicContact CE-CG 4.43Å; M1-L141 HydrophobicContact SD-CD2 4.08Å; M1-I143 HydrophobicContact CE-CD1 3.55Å; M1-I143 HydrophobicContact CE-CG1 3.3Å; M1-I143 HydrophobicContact CG-CD1 4.27Å; M1-I143 HydrophobicContact SD-CD1 4.13Å; M1-I143 HydrophobicContact SD-CG1 4.27Å; M1-I195 HydrophobicContact CE-CD1 4.17Å; M1-I195 HydrophobicContact CE-CG1 4.41Å | |||
| 2 | G | 65.4 | Low | 71.6 | Confident | 11 Ų | 11 | 36.6 Ų | 36.6 | 11% | 0.113 | 20% | 0.197 | C | C | . | . | trans | -81.9 | -163.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | G106 | G2-G106 CarbonylContact C-O 3.39Å; G2-G106 WeakPolarHBondContact CA-O 3.25Å; G2-G106 PolarHBondContact N-O 3.46Å | ||
| 3 | P | 72.9 | Confident | 71.8 | Confident | 51 Ų | 51 | 33.8 Ų | 33.8 | 33% | 0.331 | 18% | 0.182 | S | C | . | . | trans | -64.6 | 139.6 | -179.7 | 28.7 | -34.2 | 0 | 0 | 0 | 110.9 | F5 G106 | P3-F5 HydrophobicContact CB-CE2 3.74Å; P3-F5 HydrophobicContact CB-CZ 3.81Å; P3-F5 HydrophobicContact CG-CE2 4.08Å; P3-F5 HydrophobicContact CG-CZ 4.43Å; P3-G106 PolarHBondContact O-N 3.49Å | ||
| 4 | C | 76.2 | Confident | 72.2 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 3% | 0.034 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 134.2 | 179.5 | -72.2 | 0 | 0 | 0 | 0 | 109.8 | Y58 I80 I103 T104 C105 L225 | C4-Y58 PolarHBondContact O-OH 3.4Å; C4-I80 HydrophobicContact CB-CD1 3.55Å; C4-I80 WeakPolarHBondContact O-CD1 3.17Å; C4-I103 HydrophobicContact CB-CD1 4.17Å; C4-I103 HydrophobicContact CB-CG1 4.44Å; C4-T104 WeakPolarHBondContact CA-O 3.2Å; C4-C105 HydrophobicContact CB-CB 4.09Å; C4-C105 WeakPolarHBondContact CB-SG 3.38Å; C4-C105 WeakPolarHBondContact SG-CB 3.4Å; C4-C105 CovalentContact SG-SG 2.02Å; C4-C105 PolarHBondContact SG-SG 2.97Å; C4-L225 HydrophobicContact CB-CD2 3.76Å; C4-L225 WeakPolarHBondContact SG-CD2 3.48Å |
| 5 | F | 79.8 | Confident | 72.4 | Confident | 124 Ų | 124 | 31.2 Ų | 31.2 | 54% | 0.544 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 121.5 | -175.8 | -58.4 | -77.8 | 0 | 0 | 0 | 109.5 | P3 T104 | P3-F5 HydrophobicContact CB-CE2 3.74Å; P3-F5 HydrophobicContact CB-CZ 3.81Å; P3-F5 HydrophobicContact CG-CE2 4.08Å; P3-F5 HydrophobicContact CG-CZ 4.43Å; F5-T104 PolarHBondContact N-O 2.7Å; F5-T104 PolarHBondContact O-N 3.39Å |
| 6 | P | 76.3 | Confident | 72.7 | Confident | 15 Ų | 15 | 31.1 Ų | 31.1 | 10% | 0.097 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 137.4 | 171.6 | 28 | -29.7 | 0 | 0 | 0 | 110.5 | I8 Y58 I82 I101 P102 | P6-I8 HydrophobicContact CG-CG1 4.49Å; P6-I8 PolarHBondContact O-N 2.88Å; P6-I8 VanDerWaalsContact O-N 3.14Å; P6-Y58 VanDerWaalsContact CD-CZ 3.46Å; P6-Y58 HydrophobicContact CG-CD2 3.33Å; P6-Y58 HydrophobicContact CG-CE2 3.3Å; P6-Y58 HydrophobicContact CG-CG 4.04Å; P6-I82 HydrophobicContact CB-CD1 4.31Å; P6-I82 HydrophobicContact CG-CD1 4.36Å; P6-I101 HydrophobicContact CB-CG2 3.82Å; P6-P102 WeakPolarHBondContact CA-O 3.47Å |
| 7 | E | 76 | Confident | 72.7 | Confident | 55 Ų | 55 | 29.2 Ų | 29.2 | 26% | 0.257 | 15% | 0.152 | S | C | . | . | trans | -86.9 | 79.9 | 175.5 | -63 | -173.4 | -179 | 0 | 0 | 109.6 | S9 Q10 S11 P102 T104 | E7-S9 PolarHBondContact O-N 3.06Å; E7-Q10 HydrophobicContact CB-CB 4.47Å; E7-Q10 PolarHBondContact O-N 3.14Å; E7-Q10 VanDerWaalsContact OE2-CD 3.29Å; E7-Q10 PolarHBondContact OE2-NE2 3.39Å; E7-Q10 PolarHBondContact OE2-OE1 2.88Å; E7-S11 PolarHBondContact O-N 3.29Å; E7-P102 HydrophobicContact CB-CB 4.26Å; E7-P102 PolarHBondContact N-O 3.41Å; E7-T104 PolarHBondContact OE1-OG1 2.81Å | ||
| 8 | I | 68 | Low | 72.5 | Confident | 47 Ų | 47 | 27.8 Ų | 27.8 | 24% | 0.241 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -57 | -35.3 | -174.2 | -59.5 | 167.7 | 0 | 0 | 0 | 111.8 | P6 Q10 S11 L56 | P6-I8 HydrophobicContact CG-CG1 4.49Å; P6-I8 PolarHBondContact O-N 2.88Å; P6-I8 VanDerWaalsContact O-N 3.14Å; I8-Q10 PolarHBondContact O-N 2.94Å; I8-Q10 VanDerWaalsContact O-N 3.14Å; I8-S11 WeakPolarHBondContact O-CB 3.28Å; I8-S11 PolarHBondContact O-N 2.82Å; I8-S11 PolarHBondContact O-OG 3.44Å; I8-L56 HydrophobicContact CD1-CD2 3.79Å; I8-L56 HydrophobicContact CG1-CD2 4Å; I8-L56 HydrophobicContact CG2-CD2 3.96Å |
| 9 | S | 63.9 | Low | 72.3 | Confident | 52 Ų | 52 | 28.3 Ų | 28.3 | 36% | 0.364 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -64.6 | -16 | 178 | 56.1 | 0 | 0 | 0 | 0 | 114.3 | E7 | E7-S9 PolarHBondContact O-N 3.06Š|
| 10 | Q | 69.7 | Low | 72 | Confident | 24 Ų | 24 | 33.6 Ų | 33.6 | 11% | 0.112 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -112.5 | 12.6 | 176.3 | -65.4 | 177.9 | 39.4 | 0 | 0 | 112.2 | E7 I8 F12 P102 M169 | E7-Q10 HydrophobicContact CB-CB 4.47Å; E7-Q10 PolarHBondContact O-N 3.14Å; E7-Q10 VanDerWaalsContact OE2-CD 3.29Å; E7-Q10 PolarHBondContact OE2-NE2 3.39Å; E7-Q10 PolarHBondContact OE2-OE1 2.88Å; I8-Q10 PolarHBondContact O-N 2.94Å; I8-Q10 VanDerWaalsContact O-N 3.14Å; Q10-F12 VanDerWaalsContact O-CD2 3.29Å; Q10-F12 WeakPolarHBondContact O-CD2 3.46Å; Q10-F12 VanDerWaalsContact O-CE2 3.24Å; Q10-F12 WeakPolarHBondContact O-CE2 3.22Å; Q10-P102 HydrophobicContact CB-CG 3.79Å; Q10-P102 VanDerWaalsContact O-CD 3.29Å; Q10-P102 WeakPolarHBondContact O-CD 3.14Å; Q10-M169 HydrophobicContact CG-CE 3.21Å; Q10-M169 HydrophobicContact CG-CG 4.5Å |
| 11 | S | 73 | Confident | 71.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -84.6 | 143.3 | 179.8 | 66.5 | 0 | 0 | 0 | 0 | 112 | E7 I8 G31 F100 | E7-S11 PolarHBondContact O-N 3.29Å; I8-S11 WeakPolarHBondContact O-CB 3.28Å; I8-S11 PolarHBondContact O-N 2.82Å; I8-S11 PolarHBondContact O-OG 3.44Å; S11-G31 PolarHBondContact O-N 2.91Å; S11-F100 CarbonylContact C-O 3.59Å; S11-F100 VanDerWaalsContact CA-O 3.28Å; S11-F100 WeakPolarHBondContact CA-O 3.49Å | ||
| 12 | F | 74.4 | Confident | 71.5 | Confident | 5 Ų | 5 | 42.6 Ų | 42.6 | 2% | 0.022 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.8 | 175.9 | -59.1 | -93.2 | 0 | 0 | 0 | 109.4 | Q10 S30 M32 F100 M167 V172 L177 | Q10-F12 VanDerWaalsContact O-CD2 3.29Å; Q10-F12 WeakPolarHBondContact O-CD2 3.46Å; Q10-F12 VanDerWaalsContact O-CE2 3.24Å; Q10-F12 WeakPolarHBondContact O-CE2 3.22Å; F12-S30 WeakPolarHBondContact CD1-OG 3.36Å; F12-S30 WeakPolarHBondContact CE1-OG 3.41Å; F12-M32 HydrophobicContact CE1-CG 4.49Å; F12-M32 HydrophobicContact CE1-SD 4.1Å; F12-M32 HydrophobicContact CZ-CG 4.28Å; F12-M32 HydrophobicContact CZ-SD 3.85Å; F12-F100 HydrophobicContact CB-CB 4.27Å; F12-F100 PolarHBondContact N-O 3.28Å; F12-F100 PolarHBondContact O-N 3.37Å; F12-M167 HydrophobicContact CD2-CE 3.57Å; F12-M167 HydrophobicContact CD2-SD 4.14Å; F12-M167 HydrophobicContact CE2-CE 3.43Å; F12-M167 VanDerWaalsContact CE2-CE 3.43Å; F12-M167 HydrophobicContact CE2-SD 3.6Å; F12-M167 VanDerWaalsContact CE2-SD 3.6Å; F12-M167 HydrophobicContact CZ-SD 4.39Å; F12-V172 HydrophobicContact CE1-CG1 4.39Å; F12-V172 HydrophobicContact CZ-CG1 4.03Å; F12-L177 HydrophobicContact CD1-CD2 3.61Å; F12-L177 HydrophobicContact CE1-CD2 3.6Å; F12-L177 HydrophobicContact CG-CD2 4.49Å; F12-L177 HydrophobicContact CZ-CD2 4.47Å |
| 13 | V | 74.7 | Confident | 71.1 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 111.2 | 175.7 | -177.8 | 0 | 0 | 0 | 0 | 106.2 | I15 W29 F43 I84 L99 | V13-I15 HydrophobicContact CG1-CG1 4.15Å; V13-W29 CarbonylContact C-O 3.6Å; V13-W29 HydrophobicContact CB-CB 4.22Å; V13-W29 PolarHBondContact N-O 3.43Å; V13-W29 CarbonylContact O-C 3.42Å; V13-W29 VanDerWaalsContact O-CA 3.31Å; V13-W29 WeakPolarHBondContact O-CA 3.41Å; V13-W29 WeakPolarHBondContact O-CB 3.2Å; V13-W29 PolarHBondContact O-N 2.88Å; V13-F43 HydrophobicContact CG2-CE1 4.36Å; V13-I84 HydrophobicContact CG2-CD1 3.95Å; V13-L99 HydrophobicContact CB-CD2 4.12Å; V13-L99 HydrophobicContact CG1-CD2 3.76Å; V13-L99 HydrophobicContact CG2-CD2 3.67Å |
| 14 | W | 76.3 | Confident | 70.4 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 131.1 | 169.5 | -153 | -48.6 | 0 | 0 | 0 | 108.2 | S26 L28 K97 R98 I178 | W14-S26 WeakPolarHBondContact CZ2-OG 3.12Å; W14-S26 PolarHBondContact NE1-OG 3.39Å; W14-L28 HydrophobicContact CD2-CD1 3.78Å; W14-L28 HydrophobicContact CE3-CD1 3.5Å; W14-L28 VanDerWaalsContact CE3-CD1 3.5Å; W14-L28 HydrophobicContact CG-CD1 4.24Å; W14-L28 HydrophobicContact CZ3-CD1 3.94Å; W14-K97 CarbonylContact O-C 3.53Å; W14-K97 WeakPolarHBondContact O-CA 3.4Å; W14-K97 WeakPolarHBondContact O-CB 3.36Å; W14-R98 HydrophobicContact CB-CB 3.89Å; W14-R98 PolarHBondContact N-O 2.77Å; W14-R98 PolarHBondContact O-N 3.43Å; W14-I178 HydrophobicContact CH2-CD1 3.82Å; W14-I178 HydrophobicContact CH2-CG1 3.58Å; W14-I178 HydrophobicContact CZ3-CD1 4.43Å; W14-I178 HydrophobicContact CZ3-CG1 3.71Å |
| 15 | I | 76.3 | Confident | 69.6 | Low | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 130 | 173.9 | -54.1 | 169.3 | 0 | 0 | 0 | 108.8 | V13 T17 N27 W29 I86 I94 | V13-I15 HydrophobicContact CG1-CG1 4.15Å; I15-T17 HydrophobicContact CG2-CG2 4.04Å; I15-N27 PolarHBondContact N-O 2.88Å; I15-N27 PolarHBondContact O-N 3.07Å; I15-W29 HydrophobicContact CD1-CD2 4.32Å; I15-W29 HydrophobicContact CD1-CG 4.46Å; I15-I86 HydrophobicContact CD1-CB 4.42Å; I15-I86 HydrophobicContact CD1-CD1 3.41Å; I15-I86 VanDerWaalsContact CD1-CD1 3.41Å; I15-I86 HydrophobicContact CD1-CG1 3.85Å; I15-I86 HydrophobicContact CD1-CG2 3.88Å; I15-I86 HydrophobicContact CG1-CD1 4.12Å; I15-I94 HydrophobicContact CG2-CD1 4.45Å; I15-I94 HydrophobicContact CG2-CG1 4.08Å; I15-I94 HydrophobicContact CG2-CG2 3.78Å |
| 16 | Y | 76.3 | Confident | 68.4 | Low | 29 Ų | 29 | 50.8 Ų | 50.8 | 11% | 0.114 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 122.2 | 171.1 | -59.6 | -71 | 0 | 0 | 0 | 108.3 | M95 G96 R98 I127 | Y16-M95 PolarHBondContact O-N 3.2Å; Y16-G96 PolarHBondContact N-O 2.88Å; Y16-G96 PolarHBondContact O-N 3.16Å; Y16-R98 HydrophobicContact CE2-CB 4.2Å; Y16-I127 HydrophobicContact CD2-CD1 4.25Å; Y16-I127 HydrophobicContact CD2-CG1 3.88Å; Y16-I127 HydrophobicContact CE2-CD1 4.06Å; Y16-I127 HydrophobicContact CE2-CG1 3.99Å |
| 17 | T | 72.7 | Confident | 67.5 | Low | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 148.6 | 177.9 | 56.9 | 0 | 0 | 0 | 0 | 109.9 | I15 I24 N25 L92 K93 I94 | I15-T17 HydrophobicContact CG2-CG2 4.04Å; T17-I24 CarbonylContact O-C 3.51Å; T17-I24 VanDerWaalsContact O-CA 3.26Å; T17-I24 WeakPolarHBondContact O-CA 3.48Å; T17-N25 PolarHBondContact N-O 3.19Å; T17-N25 PolarHBondContact O-N 3.44Å; T17-N25 PolarHBondContact OG1-O 3.02Å; T17-L92 HydrophobicContact CG2-CB 4.42Å; T17-K93 CarbonylContact C-O 3.59Å; T17-K93 VanDerWaalsContact CA-O 3.27Å; T17-K93 WeakPolarHBondContact CA-O 3.44Å; T17-I94 HydrophobicContact CG2-CG1 4.18Å |
| 18 | A | 70.3 | Confident | 66.4 | Low | 3 Ų | 3 | 50.1 Ų | 50.1 | 3% | 0.025 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 137.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q23 K93 M95 | A18-Q23 WeakPolarHBondContact CA-O 3.5Å; A18-K93 PolarHBondContact N-O 3.42Å; A18-K93 PolarHBondContact O-N 3.38Å; A18-K93 VanDerWaalsContact O-N 3.07Å; A18-M95 HydrophobicContact CB-CG 3.51Å; A18-M95 HydrophobicContact CB-SD 3.9Å |
| 19 | D | 68.2 | Low | 65.8 | Low | 37 Ų | 37 | 47.9 Ų | 47.9 | 20% | 0.198 | 25% | 0.25 | C | C | . | . | trans | -81.2 | 179 | 167.8 | 79.6 | -10 | 0 | 0 | 0 | 111.4 | Q21 N22 Q23 L92 | D19-Q21 PolarHBondContact O-N 2.88Å; D19-Q21 VanDerWaalsContact O-N 3.12Å; D19-Q21 VanDerWaalsContact OD1-C 3.26Å; D19-Q21 VanDerWaalsContact OD1-CA 3.25Å; D19-Q21 WeakPolarHBondContact OD1-CA 3.26Å; D19-Q21 WeakPolarHBondContact OD1-CB 3.3Å; D19-Q21 PolarHBondContact OD1-N 3.4Å; D19-N22 PolarHBondContact O-N 3.44Å; D19-N22 PolarHBondContact OD1-N 2.83Å; D19-Q23 PolarHBondContact N-O 3.29Å; D19-Q23 PolarHBondContact OD1-N 3.46Å; D19-L92 HydrophobicContact CB-CD2 4.39Å | ||
| 20 | D | 66 | Low | 65.3 | Low | 134 Ų | 134 | 45.8 Ų | 45.8 | 72% | 0.717 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.6 | 177.8 | -68.6 | -34 | 0 | 0 | 0 | 113.6 | ||
| 21 | Q | 63.9 | Low | 64.2 | Low | 149 Ų | 149 | 44.7 Ų | 44.7 | 70% | 0.696 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 7.1 | 174 | -56.9 | -171.6 | -0.7 | 0 | 0 | 112.8 | D19 Q23 | D19-Q21 PolarHBondContact O-N 2.88Å; D19-Q21 VanDerWaalsContact O-N 3.12Å; D19-Q21 VanDerWaalsContact OD1-C 3.26Å; D19-Q21 VanDerWaalsContact OD1-CA 3.25Å; D19-Q21 WeakPolarHBondContact OD1-CA 3.26Å; D19-Q21 WeakPolarHBondContact OD1-CB 3.3Å; D19-Q21 PolarHBondContact OD1-N 3.4Å; Q21-Q23 HydrophobicContact CB-CG 4.43Å; Q21-Q23 PolarHBondContact O-N 3.28Å |
| 22 | N | 60.9 | Low | 62.9 | Low | 124 Ų | 124 | 48.6 Ų | 48.6 | 66% | 0.663 | 25% | 0.249 | S | C | * | . | trans | 57.4 | 21.6 | -171.5 | -70.8 | -29.7 | 0 | 0 | 0 | 114 | D19 I24 | D19-N22 PolarHBondContact O-N 3.44Å; D19-N22 PolarHBondContact OD1-N 2.83Å; N22-I24 PolarHBondContact O-N 2.83Å | ||
| 23 | Q | 57.9 | Low | 61.1 | Low | 114 Ų | 114 | 53.1 Ų | 53.1 | 53% | 0.533 | 27% | 0.274 | S | S | . | . | trans | -75.2 | 120.7 | 168.7 | -68.8 | -165.4 | -3.1 | 0 | 0 | 108.8 | A18 D19 Q21 N25 | A18-Q23 WeakPolarHBondContact CA-O 3.5Å; D19-Q23 PolarHBondContact N-O 3.29Å; D19-Q23 PolarHBondContact OD1-N 3.46Å; Q21-Q23 HydrophobicContact CB-CG 4.43Å; Q21-Q23 PolarHBondContact O-N 3.28Å; Q23-N25 PolarHBondContact O-N 2.82Å | ||
| 24 | I | 58.3 | Low | 59.3 | Low | 112 Ų | 112 | 54.8 Ų | 54.8 | 57% | 0.574 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 104.8 | 179.6 | -59.6 | 174 | 0 | 0 | 0 | 108.2 | T17 N22 | T17-I24 CarbonylContact O-C 3.51Å; T17-I24 VanDerWaalsContact O-CA 3.26Å; T17-I24 WeakPolarHBondContact O-CA 3.48Å; N22-I24 PolarHBondContact O-N 2.83Å |
| 25 | N | 58.4 | Low | 57.2 | Low | 82 Ų | 82 | 62.7 Ų | 62.7 | 44% | 0.439 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 140.6 | 169.5 | -72.8 | -23.3 | 0 | 0 | 0 | 109.4 | T17 Q23 | T17-N25 PolarHBondContact N-O 3.19Å; T17-N25 PolarHBondContact O-N 3.44Å; T17-N25 PolarHBondContact OG1-O 3.02Å; Q23-N25 PolarHBondContact O-N 2.82Å |
| 26 | S | 54.8 | Low | 54.9 | Low | 55 Ų | 55 | 73.6 Ų | 73.6 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 111.4 | -171.2 | 88.1 | 0 | 0 | 0 | 0 | 108.5 | W14 | W14-S26 WeakPolarHBondContact CZ2-OG 3.12Å; W14-S26 PolarHBondContact NE1-OG 3.39Å |
| 27 | N | 56.8 | Low | 52.5 | Low | 26 Ų | 26 | 79.6 Ų | 79.6 | 14% | 0.139 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 122.6 | 179.4 | -69.6 | -19.4 | 0 | 0 | 0 | 108.7 | I15 L52 | I15-N27 PolarHBondContact N-O 2.88Å; I15-N27 PolarHBondContact O-N 3.07Å; N27-L52 HydrophobicContact CB-CD1 4.06Å; N27-L52 VanDerWaalsContact ND2-CD1 3.26Å; N27-L52 WeakPolarHBondContact ND2-CD1 3.49Å |
| 28 | L | 53.1 | Low | 50.3 | Low | 30 Ų | 30 | 84.6 Ų | 84.6 | 16% | 0.157 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 124.9 | 179 | -178.7 | 84.3 | 0 | 0 | 0 | 109.9 | W14 V46 L177 | W14-L28 HydrophobicContact CD2-CD1 3.78Å; W14-L28 HydrophobicContact CE3-CD1 3.5Å; W14-L28 VanDerWaalsContact CE3-CD1 3.5Å; W14-L28 HydrophobicContact CG-CD1 4.24Å; W14-L28 HydrophobicContact CZ3-CD1 3.94Å; L28-V46 HydrophobicContact CD2-CG2 4.23Å; L28-L177 HydrophobicContact CD1-CD2 4.14Å; L28-L177 HydrophobicContact CD2-CB 4.37Å; L28-L177 HydrophobicContact CD2-CD1 3.42Å; L28-L177 VanDerWaalsContact CD2-CD1 3.42Å; L28-L177 HydrophobicContact CD2-CD2 3.61Å; L28-L177 HydrophobicContact CD2-CG 3.96Å; L28-L177 HydrophobicContact CG-CD2 4.46Å |
| 29 | W | 56.2 | Low | 48.4 | Very low | 1 Ų | 1 | 93.3 Ų | 93.3 | 0% | 0.004 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 133.7 | 168.6 | -77.7 | 28.9 | 0 | 0 | 0 | 110.8 | V13 I15 F43 L52 S53 G54 I86 | V13-W29 CarbonylContact C-O 3.6Å; V13-W29 HydrophobicContact CB-CB 4.22Å; V13-W29 PolarHBondContact N-O 3.43Å; V13-W29 CarbonylContact O-C 3.42Å; V13-W29 VanDerWaalsContact O-CA 3.31Å; V13-W29 WeakPolarHBondContact O-CA 3.41Å; V13-W29 WeakPolarHBondContact O-CB 3.2Å; V13-W29 PolarHBondContact O-N 2.88Å; I15-W29 HydrophobicContact CD1-CD2 4.32Å; I15-W29 HydrophobicContact CD1-CG 4.46Å; W29-F43 HydrophobicContact CB-CD1 4.34Å; W29-F43 HydrophobicContact CD2-CB 4.07Å; W29-F43 HydrophobicContact CE3-CB 3.29Å; W29-F43 HydrophobicContact CE3-CD1 4.28Å; W29-F43 AromaticContact CE3-CG 3.88Å; W29-F43 HydrophobicContact CE3-CG 3.88Å; W29-F43 HydrophobicContact CZ3-CB 3.69Å; W29-F43 HydrophobicContact CZ3-CG 4.38Å; W29-L52 HydrophobicContact CH2-CB 4.49Å; W29-L52 VanDerWaalsContact CZ2-C 3.42Å; W29-L52 HydrophobicContact CZ2-CB 3.42Å; W29-L52 VanDerWaalsContact CZ2-CB 3.42Å; W29-L52 WeakPolarHBondContact CZ2-O 3.36Å; W29-S53 WeakPolarHBondContact CH2-O 3.33Å; W29-G54 VanDerWaalsContact CH2-CA 3.42Å; W29-I86 HydrophobicContact CE3-CG1 4.35Å; W29-I86 HydrophobicContact CH2-CB 4.25Å; W29-I86 HydrophobicContact CH2-CG1 3.82Å; W29-I86 HydrophobicContact CH2-CG2 3.93Å; W29-I86 HydrophobicContact CZ2-CG2 4.14Å; W29-I86 HydrophobicContact CZ3-CG1 3.73Å |
| 30 | S | 52.2 | Low | 46.6 | Very low | 7 Ų | 7 | 98.4 Ų | 98.4 | 5% | 0.049 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 136.1 | 175.3 | -177.6 | 0 | 0 | 0 | 0 | 110.2 | F12 M32 F43 | F12-S30 WeakPolarHBondContact CD1-OG 3.36Å; F12-S30 WeakPolarHBondContact CE1-OG 3.41Å; S30-M32 PolarHBondContact O-N 3.36Å; S30-M32 WeakPolarHBondContact OG-CB 3.27Å; S30-M32 VanDerWaalsContact OG-CG 3.29Å; S30-M32 WeakPolarHBondContact OG-CG 3.35Å; S30-M32 PolarHBondContact OG-N 2.79Å; S30-F43 VanDerWaalsContact C-CD1 3.42Å; S30-F43 WeakPolarHBondContact O-CD1 3.48Å |
| 31 | G | 47.3 | Very low | 45.4 | Very low | 1 Ų | 1 | 92.7 Ų | 92.7 | 1% | 0.01 | 46% | 0.457 | C | S | . | . | G | 310 helix | trans | -74.8 | 3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S11 D33 V34 | S11-G31 PolarHBondContact O-N 2.91Å; G31-D33 PolarHBondContact O-N 3.38Å; G31-V34 WeakPolarHBondContact O-CG2 3.32Å |
| 32 | M | 45.4 | Very low | 44.3 | Very low | 82 Ų | 82 | 92 Ų | 92 | 40% | 0.404 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -64.7 | -17.5 | -177.9 | -76.5 | -177.4 | 85.3 | 0 | 0 | 113.8 | F12 S30 V172 | F12-M32 HydrophobicContact CE1-CG 4.49Å; F12-M32 HydrophobicContact CE1-SD 4.1Å; F12-M32 HydrophobicContact CZ-CG 4.28Å; F12-M32 HydrophobicContact CZ-SD 3.85Å; S30-M32 PolarHBondContact O-N 3.36Å; S30-M32 WeakPolarHBondContact OG-CB 3.27Å; S30-M32 VanDerWaalsContact OG-CG 3.29Å; S30-M32 WeakPolarHBondContact OG-CG 3.35Å; S30-M32 PolarHBondContact OG-N 2.79Å; M32-V172 HydrophobicContact SD-CG1 4.04Å |
| 33 | D | 37.8 | Very low | 43.5 | Very low | 100 Ų | 100 | 86.5 Ų | 86.5 | 54% | 0.535 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -98.1 | 9.9 | -173.1 | -123 | -8.7 | 0 | 0 | 0 | 115 | G31 K35 I44 | G31-D33 PolarHBondContact O-N 3.38Å; D33-K35 PolarHBondContact O-N 2.87Å; D33-I44 HydrophobicContact CB-CB 3.91Å; D33-I44 HydrophobicContact CB-CD1 3.86Å; D33-I44 HydrophobicContact CB-CG1 3.96Å |
| 34 | V | 36.4 | Very low | 42.9 | Very low | 36 Ų | 36 | 85.1 Ų | 85.1 | 22% | 0.218 | 42% | 0.42 | C | S | . | . | trans | -76.9 | 95.3 | 179 | -172.8 | 0 | 0 | 0 | 0 | 109.7 | G31 W36 S41 E42 | G31-V34 WeakPolarHBondContact O-CG2 3.32Å; V34-W36 PolarHBondContact O-N 3.42Å; V34-S41 VanDerWaalsContact CG2-CB 3.5Å; V34-E42 WeakPolarHBondContact CG2-O 3.29Å | ||
| 35 | K | 31.9 | Very low | 42.3 | Very low | 194 Ų | 194 | 81 Ų | 81 | 84% | 0.843 | 40% | 0.401 | S | S | * | . | trans | -57.4 | 122.6 | 160.8 | -88.6 | -177.3 | 179 | 173.6 | 0 | 108.9 | D33 N37 | D33-K35 PolarHBondContact O-N 2.87Å; K35-N37 VanDerWaalsContact C-N 3.26Å; K35-N37 PolarHBondContact O-N 3.35Å | ||
| 36 | W | 29.1 | Very low | 41.8 | Very low | 230 Ų | 230 | 81.3 Ų | 81.3 | 87% | 0.871 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -66.8 | 44.3 | -162.9 | -123.1 | 63.1 | 0 | 0 | 0 | 117.1 | V34 | V34-W36 PolarHBondContact O-N 3.42Š|
| 37 | N | 24.6 | Very low | 41.4 | Very low | 155 Ų | 155 | 84.8 Ų | 84.8 | 83% | 0.829 | 42% | 0.416 | S | S | * | . | trans | -131.5 | 8.2 | -170.1 | -91.6 | -3.1 | 0 | 0 | 0 | 118.7 | K35 | K35-N37 VanDerWaalsContact C-N 3.26Å; K35-N37 PolarHBondContact O-N 3.35Å | ||
| 38 | T | 27.5 | Very low | 40.7 | Very low | 104 Ų | 104 | 91.8 Ų | 91.8 | 64% | 0.638 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -141.6 | 144.5 | 172 | 41.1 | 0 | 0 | 0 | 0 | 111 | R40 | T38-R40 CarbonylContact O-C 3.51Å; T38-R40 PolarHBondContact O-N 2.9Å; T38-R40 VanDerWaalsContact O-O 3.11Å; T38-R40 PolarHBondContact OG1-O 3.39Å |
| 39 | L | 29.9 | Very low | 40.2 | Very low | 186 Ų | 186 | 94.4 Ų | 94.4 | 97% | 0.974 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -53.8 | 1.6 | 168 | -83 | 148 | 0 | 0 | 0 | 114.2 | ||
| 40 | R | 30.5 | Very low | 40.1 | Very low | 145 Ų | 145 | 102.9 Ų | 102.9 | 55% | 0.547 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -114.7 | 117.9 | 165.8 | -97.6 | 179.4 | 174.3 | -173.9 | -2.5 | 109 | T38 | T38-R40 CarbonylContact O-C 3.51Å; T38-R40 PolarHBondContact O-N 2.9Å; T38-R40 VanDerWaalsContact O-O 3.11Å; T38-R40 PolarHBondContact OG1-O 3.39Å |
| 41 | S | 41.7 | Very low | 40 | Very low | 14 Ų | 14 | 106.7 Ų | 106.7 | 10% | 0.098 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 107.7 | 163.6 | 41.1 | 0 | 0 | 0 | 0 | 109.5 | V34 L56 | V34-S41 VanDerWaalsContact CG2-CB 3.5Å; S41-L56 PolarHBondContact O-N 3.48Å; S41-L56 PolarHBondContact OG-O 3.23Å; S41-L56 VanDerWaalsContact OG-O 3.13Å |
| 42 | E | 39.3 | Very low | 40.3 | Very low | 133 Ų | 133 | 107.2 Ų | 107.2 | 62% | 0.621 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 128.1 | 170.6 | -73.6 | -179.9 | 170.2 | 0 | 0 | 109.5 | V34 | V34-E42 WeakPolarHBondContact CG2-O 3.29Å |
| 43 | F | 44.7 | Very low | 40.9 | Very low | 9 Ų | 9 | 106.2 Ų | 106.2 | 4% | 0.039 | 53% | 0.526 | C | S | . | . | trans | -89.1 | 133.8 | 175.5 | -78 | -108.7 | 0 | 0 | 0 | 109.1 | V13 W29 S30 G54 L56 | V13-F43 HydrophobicContact CG2-CE1 4.36Å; W29-F43 HydrophobicContact CB-CD1 4.34Å; W29-F43 HydrophobicContact CD2-CB 4.07Å; W29-F43 HydrophobicContact CE3-CB 3.29Å; W29-F43 HydrophobicContact CE3-CD1 4.28Å; W29-F43 AromaticContact CE3-CG 3.88Å; W29-F43 HydrophobicContact CE3-CG 3.88Å; W29-F43 HydrophobicContact CZ3-CB 3.69Å; W29-F43 HydrophobicContact CZ3-CG 4.38Å; S30-F43 VanDerWaalsContact C-CD1 3.42Å; S30-F43 WeakPolarHBondContact O-CD1 3.48Å; F43-G54 PolarHBondContact N-O 3.41Å; F43-L56 HydrophobicContact CD2-CB 4.18Å; F43-L56 HydrophobicContact CE2-CB 3.35Å; F43-L56 HydrophobicContact CE2-CD1 3.92Å; F43-L56 HydrophobicContact CE2-CG 4.22Å; F43-L56 HydrophobicContact CZ-CB 4.09Å; F43-L56 HydrophobicContact CZ-CD1 3.76Å | ||
| 44 | I | 44.6 | Very low | 42.1 | Very low | 85 Ų | 85 | 101.8 Ų | 101.8 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.8 | 178.5 | -54.3 | -177.1 | 0 | 0 | 0 | 108.2 | D33 V46 | D33-I44 HydrophobicContact CB-CB 3.91Å; D33-I44 HydrophobicContact CB-CD1 3.86Å; D33-I44 HydrophobicContact CB-CG1 3.96Å; I44-V46 PolarHBondContact O-N 3.43Å |
| 45 | S | 45.3 | Very low | 43.6 | Very low | 25 Ų | 25 | 100.3 Ų | 100.3 | 18% | 0.175 | 50% | 0.496 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 131.4 | 171.5 | 170.3 | 0 | 0 | 0 | 0 | 109.9 | E47 | S45-E47 VanDerWaalsContact C-N 3.25Å; S45-E47 PolarHBondContact O-N 2.88Å; S45-E47 PolarHBondContact OG-N 2.92Å; S45-E47 PolarHBondContact OG-O 3.24Å |
| 46 | V | 49.5 | Very low | 45.2 | Very low | 89 Ų | 89 | 91.3 Ų | 91.3 | 54% | 0.539 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -74.3 | -19.1 | -179.4 | -178.1 | 0 | 0 | 0 | 0 | 112 | L28 I44 | L28-V46 HydrophobicContact CD2-CG2 4.23Å; I44-V46 PolarHBondContact O-N 3.43Å |
| 47 | E | 45.4 | Very low | 47.1 | Very low | 129 Ų | 129 | 82.1 Ų | 82.1 | 60% | 0.603 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -105.3 | 147.4 | 173.9 | -69.7 | -178.6 | 168.7 | 0 | 0 | 110.3 | S45 N49 | S45-E47 VanDerWaalsContact C-N 3.25Å; S45-E47 PolarHBondContact O-N 2.88Å; S45-E47 PolarHBondContact OG-N 2.92Å; S45-E47 PolarHBondContact OG-O 3.24Å; E47-N49 PolarHBondContact O-N 3.48Å |
| 48 | D | 41.8 | Very low | 49.1 | Very low | 172 Ų | 172 | 77.6 Ų | 77.6 | 92% | 0.92 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -54.7 | 6.2 | -176.5 | -82.8 | -31.5 | 0 | 0 | 0 | 115.9 | Q50 | D48-Q50 PolarHBondContact O-N 3.14Š|
| 49 | N | 44.2 | Very low | 51.1 | Low | 85 Ų | 85 | 77.3 Ų | 77.3 | 46% | 0.455 | 39% | 0.387 | S | S | . | . | trans | -93.1 | 85.4 | 177.6 | -79.1 | -13.4 | 0 | 0 | 0 | 110.4 | E47 F51 | E47-N49 PolarHBondContact O-N 3.48Å; N49-F51 HydrophobicContact CB-CD2 3.55Å; N49-F51 HydrophobicContact CB-CE2 3.63Å; N49-F51 VanDerWaalsContact CG-CE2 3.48Å; N49-F51 PolarHBondContact O-N 2.86Å | ||
| 50 | Q | 53 | Low | 52.8 | Low | 179 Ų | 179 | 72.1 Ų | 72.1 | 84% | 0.836 | 37% | 0.365 | S | S | * | . | trans | -65.8 | 39.9 | 173.6 | -68.8 | -178.2 | -18.3 | 0 | 0 | 113.9 | D48 | D48-Q50 PolarHBondContact O-N 3.14Š| ||
| 51 | F | 51.2 | Low | 54.5 | Low | 88 Ų | 88 | 68 Ų | 68 | 39% | 0.386 | 35% | 0.353 | S | S | . | . | trans | -87.8 | -9.7 | -174.5 | -63.3 | -55 | 0 | 0 | 0 | 114.3 | N49 V89 T90 | N49-F51 HydrophobicContact CB-CD2 3.55Å; N49-F51 HydrophobicContact CB-CE2 3.63Å; N49-F51 VanDerWaalsContact CG-CE2 3.48Å; N49-F51 PolarHBondContact O-N 2.86Å; F51-V89 WeakPolarHBondContact O-CA 3.4Å; F51-V89 WeakPolarHBondContact O-CB 3.35Å; F51-V89 WeakPolarHBondContact O-CG2 3.4Å; F51-V89 PolarHBondContact O-N 3.14Å; F51-T90 HydrophobicContact CB-CG2 4.07Å; F51-T90 HydrophobicContact CD1-CG2 3.31Å; F51-T90 HydrophobicContact CE1-CG2 3.93Å; F51-T90 HydrophobicContact CG-CG2 3.86Å | ||
| 52 | L | 53.6 | Low | 55 | Low | 12 Ų | 12 | 74.6 Ų | 74.6 | 6% | 0.063 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 132.9 | -178.7 | -65.7 | 146.5 | 0 | 0 | 0 | 107.5 | N27 W29 I86 F87 N88 | N27-L52 HydrophobicContact CB-CD1 4.06Å; N27-L52 VanDerWaalsContact ND2-CD1 3.26Å; N27-L52 WeakPolarHBondContact ND2-CD1 3.49Å; W29-L52 HydrophobicContact CH2-CB 4.49Å; W29-L52 VanDerWaalsContact CZ2-C 3.42Å; W29-L52 HydrophobicContact CZ2-CB 3.42Å; W29-L52 VanDerWaalsContact CZ2-CB 3.42Å; W29-L52 WeakPolarHBondContact CZ2-O 3.36Å; L52-I86 HydrophobicContact CB-CG2 4.43Å; L52-I86 HydrophobicContact CD2-CG2 3.69Å; L52-F87 WeakPolarHBondContact CA-O 3.38Å; L52-N88 HydrophobicContact CD2-CB 3.98Å; L52-N88 VanDerWaalsContact CD2-OD1 3.28Å; L52-N88 WeakPolarHBondContact CD2-OD1 3.27Å |
| 53 | S | 58 | Low | 55.6 | Low | 60 Ų | 60 | 73.9 Ų | 73.9 | 42% | 0.42 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 150 | 171.9 | 70.8 | 0 | 0 | 0 | 0 | 109.7 | W29 F87 | W29-S53 WeakPolarHBondContact CH2-O 3.33Å; S53-F87 PolarHBondContact N-O 3.36Å; S53-F87 WeakPolarHBondContact O-CA 2.9Å; S53-F87 WeakPolarHBondContact O-CB 3.15Å; S53-F87 PolarHBondContact O-N 2.98Å |
| 54 | G | 63 | Low | 55.8 | Low | 8 Ų | 8 | 74.5 Ų | 74.5 | 8% | 0.082 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | 165 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | W29 F43 D85 | W29-G54 VanDerWaalsContact CH2-CA 3.42Å; F43-G54 PolarHBondContact N-O 3.41Å; G54-D85 CarbonylContact C-O 3.53Å; G54-D85 WeakPolarHBondContact CA-O 3.27Å |
| 55 | S | 66.7 | Low | 56 | Low | 5 Ų | 5 | 73.1 Ų | 73.1 | 4% | 0.035 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.2 | -176.4 | 56 | 0 | 0 | 0 | 0 | 110.7 | I84 D85 | S55-I84 WeakPolarHBondContact O-CA 3.42Å; S55-D85 PolarHBondContact N-O 3.49Å; S55-D85 PolarHBondContact O-N 3.27Å |
| 56 | L | 66.1 | Low | 56.2 | Low | 5 Ų | 5 | 76.3 Ų | 76.3 | 3% | 0.026 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.3 | 166.7 | -174.1 | 144.2 | 0 | 0 | 0 | 108.6 | I8 S41 F43 I82 S83 I84 | I8-L56 HydrophobicContact CD1-CD2 3.79Å; I8-L56 HydrophobicContact CG1-CD2 4Å; I8-L56 HydrophobicContact CG2-CD2 3.96Å; S41-L56 PolarHBondContact O-N 3.48Å; S41-L56 PolarHBondContact OG-O 3.23Å; S41-L56 VanDerWaalsContact OG-O 3.13Å; F43-L56 HydrophobicContact CD2-CB 4.18Å; F43-L56 HydrophobicContact CE2-CB 3.35Å; F43-L56 HydrophobicContact CE2-CD1 3.92Å; F43-L56 HydrophobicContact CE2-CG 4.22Å; F43-L56 HydrophobicContact CZ-CB 4.09Å; F43-L56 HydrophobicContact CZ-CD1 3.76Å; L56-I82 HydrophobicContact CD1-CG2 3.96Å; L56-I82 HydrophobicContact CD2-CG2 4.36Å; L56-I82 HydrophobicContact CG-CG2 4.06Å; L56-S83 WeakPolarHBondContact CA-O 3.3Å; L56-I84 HydrophobicContact CD1-CD1 4.07Å; L56-I84 HydrophobicContact CD1-CG1 3.92Å; L56-I84 HydrophobicContact CG-CG1 4.25Å |
| 57 | N | 68 | Low | 56.1 | Low | 36 Ų | 36 | 77.2 Ų | 77.2 | 19% | 0.193 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 143.6 | 167 | -44.1 | -57 | 0 | 0 | 0 | 108.9 | F59 S83 | N57-F59 HydrophobicContact CB-CD2 4.45Å; N57-F59 HydrophobicContact CB-CE2 3.54Å; N57-F59 HydrophobicContact CB-CZ 3.73Å; N57-S83 WeakPolarHBondContact CB-OG 2.92Å; N57-S83 PolarHBondContact N-O 2.96Å; N57-S83 PolarHBondContact ND2-OG 3.04Å; N57-S83 PolarHBondContact O-N 3.09Å |
| 58 | Y | 67.2 | Low | 56 | Low | 60 Ų | 60 | 77.1 Ų | 77.1 | 24% | 0.235 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.2 | 177.9 | 163.2 | -99.1 | 0 | 0 | 0 | 108.8 | C4 P6 I80 I82 | C4-Y58 PolarHBondContact O-OH 3.4Å; P6-Y58 VanDerWaalsContact CD-CZ 3.46Å; P6-Y58 HydrophobicContact CG-CD2 3.33Å; P6-Y58 HydrophobicContact CG-CE2 3.3Å; P6-Y58 HydrophobicContact CG-CG 4.04Å; Y58-I80 HydrophobicContact CD2-CG2 4.01Å; Y58-I80 HydrophobicContact CE2-CB 4.42Å; Y58-I80 HydrophobicContact CE2-CD1 4.49Å; Y58-I80 HydrophobicContact CE2-CG1 4.16Å; Y58-I80 HydrophobicContact CE2-CG2 3.52Å; Y58-I82 HydrophobicContact CD2-CG1 4.13Å |
| 59 | F | 70.2 | Confident | 55.8 | Low | 99 Ų | 99 | 71.7 Ų | 71.7 | 43% | 0.434 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 132.7 | 175.7 | -54.1 | -78.2 | 0 | 0 | 0 | 109.3 | N57 E81 | N57-F59 HydrophobicContact CB-CD2 4.45Å; N57-F59 HydrophobicContact CB-CE2 3.54Å; N57-F59 HydrophobicContact CB-CZ 3.73Å; F59-E81 HydrophobicContact CB-CB 4.38Å; F59-E81 PolarHBondContact N-O 3.43Å; F59-E81 PolarHBondContact O-N 3.32Å |
| 60 | S | 65.1 | Low | 55.4 | Low | 76 Ų | 76 | 77.3 Ų | 77.3 | 53% | 0.531 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 121.5 | 168.6 | -177.1 | 0 | 0 | 0 | 0 | 107.9 | ||
| 61 | H | 65.5 | Low | 54.6 | Low | 60 Ų | 60 | 75.7 Ų | 75.7 | 28% | 0.278 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.3 | 178.4 | -60 | -72.7 | 0 | 0 | 0 | 109.2 | D63 V65 A79 E81 | H61-D63 VanDerWaalsContact C-N 3.33Å; H61-D63 WeakPolarHBondContact CB-O 3.32Å; H61-V65 HydrophobicContact CB-CG2 4.06Å; H61-V65 WeakPolarHBondContact CD2-CG2 3.31Å; H61-A79 PolarHBondContact N-O 3.47Å; H61-A79 PolarHBondContact O-N 3.35Å; H61-A79 VanDerWaalsContact O-N 3.07Å; H61-E81 IonicContact CD2-OE2 3.19Å; H61-E81 IonicContact CE1-OE2 3.76Å; H61-E81 IonicContact NE2-OE2 2.63Å; H61-E81 PolarHBondContact NE2-OE2 2.83Å |
| 62 | E | 53.5 | Low | 53.6 | Low | 151 Ų | 151 | 78.7 Ų | 78.7 | 71% | 0.706 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -75.2 | -28.7 | 173.3 | -66.1 | -162.6 | 140.6 | 0 | 0 | 112 | ||
| 63 | D | 50.5 | Low | 52.8 | Low | 118 Ų | 118 | 81 Ų | 81 | 63% | 0.631 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -103.9 | 152.4 | 178.8 | -73.2 | -35.9 | 0 | 0 | 0 | 111.7 | H61 V65 | H61-D63 VanDerWaalsContact C-N 3.33Å; H61-D63 WeakPolarHBondContact CB-O 3.32Å; D63-V65 PolarHBondContact O-N 3.32Å |
| 64 | P | 50.1 | Low | 51.9 | Low | 23 Ų | 23 | 85.4 Ų | 85.4 | 15% | 0.149 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -64 | 124.2 | 177.4 | 26.8 | -35.2 | 0 | 0 | 0 | 110.3 | P66 | P64-P66 WeakPolarHBondContact O-CD 3.3Š|
| 65 | V | 49.3 | Very low | 50.7 | Low | 56 Ų | 56 | 90.4 Ų | 90.4 | 34% | 0.339 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 117.7 | 174.4 | -177.3 | 0 | 0 | 0 | 0 | 108.3 | H61 D63 W67 A79 | H61-V65 HydrophobicContact CB-CG2 4.06Å; H61-V65 WeakPolarHBondContact CD2-CG2 3.31Å; D63-V65 PolarHBondContact O-N 3.32Å; V65-W67 PolarHBondContact O-N 2.99Å; V65-A79 HydrophobicContact CG2-CB 4.37Å |
| 66 | P | 47.9 | Very low | 49.6 | Very low | 92 Ų | 92 | 96.2 Ų | 96.2 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 120.7 | -179.3 | 25.9 | -30.5 | 0 | 0 | 0 | 109.4 | P64 | P64-P66 WeakPolarHBondContact O-CD 3.3Š|
| 67 | W | 47.3 | Very low | 48.9 | Very low | 107 Ų | 107 | 99.2 Ų | 99.2 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 152.2 | 171.9 | -133.6 | 62.4 | 0 | 0 | 0 | 110.5 | V65 S69 F203 | V65-W67 PolarHBondContact O-N 2.99Å; W67-S69 PolarHBondContact O-N 3.33Å; W67-F203 HydrophobicContact CH2-CD2 4.1Å; W67-F203 HydrophobicContact CH2-CE1 4.17Å; W67-F203 AromaticContact CH2-CE2 3.51Å; W67-F203 HydrophobicContact CH2-CE2 3.51Å; W67-F203 AromaticContact CH2-CZ 3.55Å; W67-F203 HydrophobicContact CH2-CZ 3.55Å; W67-F203 AromaticContact CZ2-CD2 3.8Å; W67-F203 HydrophobicContact CZ2-CD2 3.8Å; W67-F203 AromaticContact CZ2-CE2 3.37Å; W67-F203 HydrophobicContact CZ2-CE2 3.37Å; W67-F203 AromaticContact CZ2-CZ 3.94Å; W67-F203 HydrophobicContact CZ2-CZ 3.94Å |
| 68 | P | 43.1 | Very low | 48.7 | Very low | 127 Ų | 127 | 102.2 Ų | 102.2 | 83% | 0.825 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -74 | 61.3 | 164.1 | 32.4 | -32.8 | 0 | 0 | 0 | 109.8 | ||
| 69 | S | 38.1 | Very low | 48.8 | Very low | 58 Ų | 58 | 99.4 Ų | 99.4 | 41% | 0.406 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -144.5 | 138.9 | 158.6 | 78.4 | 0 | 0 | 0 | 0 | 110.1 | W67 N71 | W67-S69 PolarHBondContact O-N 3.33Å; S69-N71 PolarHBondContact O-N 3.03Å |
| 70 | K | 35.5 | Very low | 49.1 | Very low | 203 Ų | 203 | 94.8 Ų | 94.8 | 88% | 0.883 | 51% | 0.51 | S | S | * | . | trans | -66.5 | 11.1 | -174.6 | -77.4 | 179.7 | 173.5 | 176.4 | 0 | 114.6 | V72 | K70-V72 PolarHBondContact O-N 3.01Š| ||
| 71 | N | 36.4 | Very low | 49.8 | Very low | 146 Ų | 146 | 93.1 Ų | 93.1 | 78% | 0.781 | 49% | 0.494 | S | S | * | . | trans | -89.3 | 101.5 | -171 | -74.1 | -12.4 | 0 | 0 | 0 | 112 | S69 | S69-N71 PolarHBondContact O-N 3.03Š| ||
| 72 | V | 31.5 | Very low | 50.4 | Low | 150 Ų | 150 | 90.4 Ų | 90.4 | 91% | 0.909 | 48% | 0.482 | S | S | * | . | trans | -37.4 | 129.3 | 164.6 | -176.2 | 0 | 0 | 0 | 0 | 112.8 | K70 | K70-V72 PolarHBondContact O-N 3.01Š| ||
| 73 | G | 35.2 | Very low | 51.6 | Low | 62 Ų | 62 | 83.5 Ų | 83.5 | 64% | 0.639 | 45% | 0.45 | S | S | * | . | trans | 135.2 | 58 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L75 | G73-L75 PolarHBondContact O-N 3.32Š| ||
| 74 | K | 39.1 | Very low | 52.8 | Low | 151 Ų | 151 | 78 Ų | 78 | 66% | 0.657 | 42% | 0.421 | S | S | * | . | trans | -67.9 | 103.4 | 175.9 | -78.5 | -173.9 | 175 | -171.3 | 0 | 109.3 | ||||
| 75 | L | 38.5 | Very low | 53.9 | Low | 114 Ų | 114 | 78.4 Ų | 78.4 | 60% | 0.597 | 42% | 0.422 | S | S | * | . | trans | -81.7 | 121 | 158.5 | -75.7 | 153.2 | 0 | 0 | 0 | 107.2 | G73 Y77 | G73-L75 PolarHBondContact O-N 3.32Å; L75-Y77 VanDerWaalsContact C-N 3.34Å; L75-Y77 HydrophobicContact CB-CD2 3.75Å; L75-Y77 HydrophobicContact CB-CE2 3.16Å; L75-Y77 HydrophobicContact CD1-CE2 3.91Å; L75-Y77 HydrophobicContact CG-CE2 4.04Å; L75-Y77 PolarHBondContact O-N 3.5Å | ||
| 76 | N | 44.4 | Very low | 54.9 | Low | 126 Ų | 126 | 75.8 Ų | 75.8 | 67% | 0.674 | 41% | 0.406 | S | S | * | . | trans | -72.7 | 88.1 | -179.9 | -72.3 | -10.8 | 0 | 0 | 0 | 109.7 | ||||
| 77 | Y | 51.4 | Low | 55.9 | Low | 69 Ų | 69 | 75.9 Ų | 75.9 | 27% | 0.271 | 40% | 0.397 | S | S | . | . | trans | -104.6 | 139.1 | 169.1 | -58.9 | -61.2 | 0 | 0 | 0 | 109.1 | L75 A79 P226 | L75-Y77 VanDerWaalsContact C-N 3.34Å; L75-Y77 HydrophobicContact CB-CD2 3.75Å; L75-Y77 HydrophobicContact CB-CE2 3.16Å; L75-Y77 HydrophobicContact CD1-CE2 3.91Å; L75-Y77 HydrophobicContact CG-CE2 4.04Å; L75-Y77 PolarHBondContact O-N 3.5Å; Y77-A79 PolarHBondContact O-N 3.32Å; Y77-P226 HydrophobicContact CD1-CB 4.33Å; Y77-P226 HydrophobicContact CE1-CB 4.11Å | ||
| 78 | K | 63.1 | Low | 56.7 | Low | 99 Ų | 99 | 71.5 Ų | 71.5 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 138.3 | 162 | -68.3 | -171.9 | 174.1 | -166.3 | 0 | 107.5 | L225 | K78-L225 HydrophobicContact CB-CB 4.43Å; K78-L225 HydrophobicContact CB-CD1 4.23Å; K78-L225 WeakPolarHBondContact O-CB 3.15Å; K78-L225 WeakPolarHBondContact O-CD1 3.47Å; K78-L225 PolarHBondContact O-N 3.27Å |
| 79 | A | 70.2 | Confident | 57.5 | Low | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 141.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | H61 V65 Y77 I223 | H61-A79 PolarHBondContact N-O 3.47Å; H61-A79 PolarHBondContact O-N 3.35Å; H61-A79 VanDerWaalsContact O-N 3.07Å; V65-A79 HydrophobicContact CG2-CB 4.37Å; Y77-A79 PolarHBondContact O-N 3.32Å; A79-I223 CarbonylContact C-O 3.6Å; A79-I223 WeakPolarHBondContact CA-O 3.31Å |
| 80 | I | 76.3 | Confident | 58.4 | Low | 2 Ų | 2 | 69.3 Ų | 69.3 | 1% | 0.01 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 129.7 | 167.1 | -75.6 | 165.9 | 0 | 0 | 0 | 107.5 | C4 Y58 I82 I103 V222 I223 L225 | C4-I80 HydrophobicContact CB-CD1 3.55Å; C4-I80 WeakPolarHBondContact O-CD1 3.17Å; Y58-I80 HydrophobicContact CD2-CG2 4.01Å; Y58-I80 HydrophobicContact CE2-CB 4.42Å; Y58-I80 HydrophobicContact CE2-CD1 4.49Å; Y58-I80 HydrophobicContact CE2-CG1 4.16Å; Y58-I80 HydrophobicContact CE2-CG2 3.52Å; I80-I82 HydrophobicContact CG2-CD1 4.25Å; I80-I82 HydrophobicContact CG2-CG1 3.94Å; I80-I103 HydrophobicContact CD1-CD1 4.02Å; I80-V222 CarbonylContact O-C 3.6Å; I80-V222 WeakPolarHBondContact O-CA 3.35Å; I80-I223 HydrophobicContact CB-CB 4.37Å; I80-I223 PolarHBondContact N-O 2.88Å; I80-I223 PolarHBondContact O-N 3.04Å; I80-L225 HydrophobicContact CB-CD1 4.48Å; I80-L225 HydrophobicContact CD1-CD1 4.02Å; I80-L225 HydrophobicContact CG1-CD1 3.94Å |
| 81 | E | 79.4 | Confident | 59.8 | Low | 41 Ų | 41 | 63.1 Ų | 63.1 | 19% | 0.192 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.2 | 172.8 | -175.3 | 177.4 | -175.6 | 0 | 0 | 109.2 | F59 H61 T220 L221 V222 | F59-E81 HydrophobicContact CB-CB 4.38Å; F59-E81 PolarHBondContact N-O 3.43Å; F59-E81 PolarHBondContact O-N 3.32Å; H61-E81 IonicContact CD2-OE2 3.19Å; H61-E81 IonicContact CE1-OE2 3.76Å; H61-E81 IonicContact NE2-OE2 2.63Å; H61-E81 PolarHBondContact NE2-OE2 2.83Å; E81-T220 HydrophobicContact CG-CG2 4.07Å; E81-T220 WeakPolarHBondContact OE1-CG2 2.94Å; E81-L221 CarbonylContact C-O 3.57Å; E81-L221 WeakPolarHBondContact CA-O 3.43Å; E81-V222 HydrophobicContact CG-CG2 4.34Å |
| 82 | I | 78.2 | Confident | 61.3 | Low | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.015 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 115 | 174.2 | -59.1 | 173.8 | 0 | 0 | 0 | 106.6 | P6 L56 Y58 I80 I84 I101 L221 | P6-I82 HydrophobicContact CB-CD1 4.31Å; P6-I82 HydrophobicContact CG-CD1 4.36Å; L56-I82 HydrophobicContact CD1-CG2 3.96Å; L56-I82 HydrophobicContact CD2-CG2 4.36Å; L56-I82 HydrophobicContact CG-CG2 4.06Å; Y58-I82 HydrophobicContact CD2-CG1 4.13Å; I80-I82 HydrophobicContact CG2-CD1 4.25Å; I80-I82 HydrophobicContact CG2-CG1 3.94Å; I82-I84 HydrophobicContact CG2-CD1 4.47Å; I82-I84 HydrophobicContact CG2-CG1 4.13Å; I82-I101 HydrophobicContact CD1-CD1 3.96Å; I82-I101 HydrophobicContact CD1-CG2 4.45Å; I82-I101 HydrophobicContact CG2-CD1 4.41Å; I82-L221 HydrophobicContact CB-CB 4.29Å; I82-L221 HydrophobicContact CD1-CD2 4.35Å; I82-L221 PolarHBondContact N-O 3.16Å; I82-L221 PolarHBondContact O-N 2.87Å |
| 83 | S | 77.9 | Confident | 63.3 | Low | 7 Ų | 7 | 55.7 Ų | 55.7 | 5% | 0.049 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 127.4 | 175.6 | 65.7 | 0 | 0 | 0 | 0 | 109.4 | L56 N57 I219 | L56-S83 WeakPolarHBondContact CA-O 3.3Å; N57-S83 WeakPolarHBondContact CB-OG 2.92Å; N57-S83 PolarHBondContact N-O 2.96Å; N57-S83 PolarHBondContact ND2-OG 3.04Å; N57-S83 PolarHBondContact O-N 3.09Å; S83-I219 CarbonylContact C-O 3.57Å; S83-I219 VanDerWaalsContact CA-O 3.29Å; S83-I219 WeakPolarHBondContact CA-O 3.41Å |
| 84 | I | 75.9 | Confident | 65.3 | Low | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 113.7 | 177.6 | -48.3 | 177.9 | 0 | 0 | 0 | 107.3 | V13 S55 L56 I82 I86 L99 I219 | V13-I84 HydrophobicContact CG2-CD1 3.95Å; S55-I84 WeakPolarHBondContact O-CA 3.42Å; L56-I84 HydrophobicContact CD1-CD1 4.07Å; L56-I84 HydrophobicContact CD1-CG1 3.92Å; L56-I84 HydrophobicContact CG-CG1 4.25Å; I82-I84 HydrophobicContact CG2-CD1 4.47Å; I82-I84 HydrophobicContact CG2-CG1 4.13Å; I84-I86 HydrophobicContact CG2-CD1 3.95Å; I84-I86 HydrophobicContact CG2-CG1 4.14Å; I84-L99 HydrophobicContact CD1-CD2 3.76Å; I84-I219 HydrophobicContact CB-CB 4.16Å; I84-I219 HydrophobicContact CB-CD1 4.4Å; I84-I219 HydrophobicContact CD1-CD1 4.45Å; I84-I219 PolarHBondContact N-O 2.81Å; I84-I219 PolarHBondContact O-N 3.27Å |
| 85 | D | 72.3 | Confident | 67.1 | Low | 32 Ų | 32 | 47.1 Ų | 47.1 | 17% | 0.171 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 123.5 | 173.6 | -64.6 | -59.7 | 0 | 0 | 0 | 108.8 | G54 S55 F87 H218 | G54-D85 CarbonylContact C-O 3.53Å; G54-D85 WeakPolarHBondContact CA-O 3.27Å; S55-D85 PolarHBondContact N-O 3.49Å; S55-D85 PolarHBondContact O-N 3.27Å; D85-F87 HydrophobicContact CB-CE2 4.05Å; D85-F87 HydrophobicContact CB-CZ 4.15Å; D85-H218 IonicContact OD1-CE1 3.72Å; D85-H218 PolarHBondContact OD1-CE1 3.38Å; D85-H218 IonicContact OD1-CG 3.52Å; D85-H218 IonicContact OD1-ND1 2.82Å; D85-H218 PolarHBondContact OD1-ND1 2.74Å |
| 86 | I | 72 | Confident | 69.1 | Low | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 113.9 | 174.4 | -66 | 140.9 | 0 | 0 | 0 | 108 | I15 W29 L52 I84 I94 S216 F217 I219 | I15-I86 HydrophobicContact CD1-CB 4.42Å; I15-I86 HydrophobicContact CD1-CD1 3.41Å; I15-I86 VanDerWaalsContact CD1-CD1 3.41Å; I15-I86 HydrophobicContact CD1-CG1 3.85Å; I15-I86 HydrophobicContact CD1-CG2 3.88Å; I15-I86 HydrophobicContact CG1-CD1 4.12Å; W29-I86 HydrophobicContact CE3-CG1 4.35Å; W29-I86 HydrophobicContact CH2-CB 4.25Å; W29-I86 HydrophobicContact CH2-CG1 3.82Å; W29-I86 HydrophobicContact CH2-CG2 3.93Å; W29-I86 HydrophobicContact CZ2-CG2 4.14Å; W29-I86 HydrophobicContact CZ3-CG1 3.73Å; L52-I86 HydrophobicContact CB-CG2 4.43Å; L52-I86 HydrophobicContact CD2-CG2 3.69Å; I84-I86 HydrophobicContact CG2-CD1 3.95Å; I84-I86 HydrophobicContact CG2-CG1 4.14Å; I86-I94 HydrophobicContact CG2-CD1 4.45Å; I86-S216 CarbonylContact O-C 3.47Å; I86-S216 WeakPolarHBondContact O-CA 3.37Å; I86-F217 HydrophobicContact CB-CB 4.34Å; I86-F217 HydrophobicContact CB-CD1 4.26Å; I86-F217 HydrophobicContact CD1-CD1 3.58Å; I86-F217 HydrophobicContact CD1-CE1 3.99Å; I86-F217 PolarHBondContact N-O 2.85Å; I86-F217 PolarHBondContact O-N 3.35Å; I86-I219 HydrophobicContact CD1-CD1 4.26Å |
| 87 | F | 67.3 | Low | 71.1 | Confident | 95 Ų | 95 | 35.7 Ų | 35.7 | 42% | 0.417 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 118.7 | 173.2 | -57.4 | -77 | 0 | 0 | 0 | 109 | L52 S53 D85 | L52-F87 WeakPolarHBondContact CA-O 3.38Å; S53-F87 PolarHBondContact N-O 3.36Å; S53-F87 WeakPolarHBondContact O-CA 2.9Å; S53-F87 WeakPolarHBondContact O-CB 3.15Å; S53-F87 PolarHBondContact O-N 2.98Å; D85-F87 HydrophobicContact CB-CE2 4.05Å; D85-F87 HydrophobicContact CB-CZ 4.15Å |
| 88 | N | 64.7 | Low | 72.6 | Confident | 15 Ų | 15 | 35.2 Ų | 35.2 | 8% | 0.08 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 116.2 | 175.7 | -156 | -1.2 | 0 | 0 | 0 | 109.9 | L52 T90 L92 | L52-N88 HydrophobicContact CD2-CB 3.98Å; L52-N88 VanDerWaalsContact CD2-OD1 3.28Å; L52-N88 WeakPolarHBondContact CD2-OD1 3.27Å; N88-T90 VanDerWaalsContact C-N 3.32Å; N88-T90 PolarHBondContact ND2-O 3.15Å; N88-T90 PolarHBondContact OD1-N 3.44Å; N88-T90 PolarHBondContact OD1-O 2.98Å; N88-T90 PolarHBondContact OD1-OG1 3.22Å; N88-L92 PolarHBondContact ND2-N 3.09Å; N88-L92 PolarHBondContact ND2-O 2.9Å |
| 89 | V | 59.8 | Low | 73.6 | Confident | 95 Ų | 95 | 30.5 Ų | 30.5 | 58% | 0.576 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -83.2 | -19.9 | 179.4 | -168.3 | 0 | 0 | 0 | 0 | 110.5 | F51 | F51-V89 WeakPolarHBondContact O-CA 3.4Å; F51-V89 WeakPolarHBondContact O-CB 3.35Å; F51-V89 WeakPolarHBondContact O-CG2 3.4Å; F51-V89 PolarHBondContact O-N 3.14Å |
| 90 | T | 57 | Low | 74.2 | Confident | 43 Ų | 43 | 30.7 Ų | 30.7 | 26% | 0.264 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -116.2 | 148.9 | 175.3 | 48 | 0 | 0 | 0 | 0 | 109.4 | F51 N88 L92 | F51-T90 HydrophobicContact CB-CG2 4.07Å; F51-T90 HydrophobicContact CD1-CG2 3.31Å; F51-T90 HydrophobicContact CE1-CG2 3.93Å; F51-T90 HydrophobicContact CG-CG2 3.86Å; N88-T90 VanDerWaalsContact C-N 3.32Å; N88-T90 PolarHBondContact ND2-O 3.15Å; N88-T90 PolarHBondContact OD1-N 3.44Å; N88-T90 PolarHBondContact OD1-O 2.98Å; N88-T90 PolarHBondContact OD1-OG1 3.22Å; T90-L92 PolarHBondContact O-N 3.42Å; T90-L92 WeakPolarHBondContact OG1-CD1 3.38Å |
| 91 | S | 65 | Low | 74.5 | Confident | 73 Ų | 73 | 30.8 Ų | 30.8 | 51% | 0.51 | 16% | 0.16 | S | C | . | . | trans | -70.3 | 38.9 | -177.9 | 50.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 92 | L | 67.8 | Low | 74.8 | Confident | 43 Ų | 43 | 28.8 Ų | 28.8 | 23% | 0.225 | 15% | 0.151 | C | C | . | . | trans | -72.2 | 136.8 | 179.8 | -67.9 | 170.9 | 0 | 0 | 0 | 110.9 | T17 D19 N88 T90 I94 | T17-L92 HydrophobicContact CG2-CB 4.42Å; D19-L92 HydrophobicContact CB-CD2 4.39Å; N88-L92 PolarHBondContact ND2-N 3.09Å; N88-L92 PolarHBondContact ND2-O 2.9Å; T90-L92 PolarHBondContact O-N 3.42Å; T90-L92 WeakPolarHBondContact OG1-CD1 3.38Å; L92-I94 PolarHBondContact O-N 3.11Å | ||
| 93 | K | 74.2 | Confident | 75.2 | Confident | 98 Ų | 98 | 28.7 Ų | 28.7 | 43% | 0.426 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 118.4 | 177.3 | -71.3 | 175.2 | -175.8 | 168.8 | 0 | 109.1 | T17 A18 M95 | T17-K93 CarbonylContact C-O 3.59Å; T17-K93 VanDerWaalsContact CA-O 3.27Å; T17-K93 WeakPolarHBondContact CA-O 3.44Å; A18-K93 PolarHBondContact N-O 3.42Å; A18-K93 PolarHBondContact O-N 3.38Å; A18-K93 VanDerWaalsContact O-N 3.07Å; K93-M95 HydrophobicContact CB-SD 4.4Å; K93-M95 PolarHBondContact O-N 2.86Å |
| 94 | I | 76.4 | Confident | 75.6 | Confident | 8 Ų | 8 | 29.3 Ų | 29.3 | 4% | 0.041 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 115.4 | 175.5 | -67.2 | 166.6 | 0 | 0 | 0 | 108.4 | I15 T17 I86 L92 S131 I132 F217 | I15-I94 HydrophobicContact CG2-CD1 4.45Å; I15-I94 HydrophobicContact CG2-CG1 4.08Å; I15-I94 HydrophobicContact CG2-CG2 3.78Å; T17-I94 HydrophobicContact CG2-CG1 4.18Å; I86-I94 HydrophobicContact CG2-CD1 4.45Å; L92-I94 PolarHBondContact O-N 3.11Å; I94-S131 WeakPolarHBondContact O-CA 3.35Å; I94-I132 PolarHBondContact O-N 2.81Å; I94-F217 HydrophobicContact CB-CG 4.47Å; I94-F217 HydrophobicContact CD1-CB 3.35Å; I94-F217 HydrophobicContact CD1-CD1 3.92Å; I94-F217 HydrophobicContact CD1-CG 3.71Å; I94-F217 HydrophobicContact CG2-CD1 3.99Å; I94-F217 HydrophobicContact CG2-CD2 4.07Å; I94-F217 HydrophobicContact CG2-CE1 3.92Å; I94-F217 HydrophobicContact CG2-CE2 4.04Å; I94-F217 HydrophobicContact CG2-CG 4.06Å; I94-F217 HydrophobicContact CG2-CZ 3.96Å |
| 95 | M | 78.1 | Confident | 76 | Confident | 25 Ų | 25 | 29.2 Ų | 29.2 | 12% | 0.123 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | -19.4 | -176 | -60.2 | -61.4 | -68.5 | 0 | 0 | 111.9 | Y16 A18 K93 S128 Q129 | Y16-M95 PolarHBondContact O-N 3.2Å; A18-M95 HydrophobicContact CB-CG 3.51Å; A18-M95 HydrophobicContact CB-SD 3.9Å; K93-M95 HydrophobicContact CB-SD 4.4Å; K93-M95 PolarHBondContact O-N 2.86Å; M95-S128 WeakPolarHBondContact CE-O 3.49Å; M95-S128 WeakPolarHBondContact O-CA 3.26Å; M95-S128 WeakPolarHBondContact O-CB 3.36Å; M95-S128 PolarHBondContact O-N 2.84Å; M95-Q129 WeakPolarHBondContact CE-O 3.44Å |
| 96 | G | 80.1 | Confident | 76.4 | Confident | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 173.1 | -176.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y16 F126 | Y16-G96 PolarHBondContact N-O 2.88Å; Y16-G96 PolarHBondContact O-N 3.16Å; G96-F126 CarbonylContact C-O 3.46Å; G96-F126 WeakPolarHBondContact CA-O 3.39Å |
| 97 | K | 85.6 | Confident | 76.6 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 154.9 | -179.7 | 64.1 | 97.5 | -167.4 | 154 | 0 | 112.7 | W14 L99 N124 E125 F126 L135 I137 F217 I219 | W14-K97 CarbonylContact O-C 3.53Å; W14-K97 WeakPolarHBondContact O-CA 3.4Å; W14-K97 WeakPolarHBondContact O-CB 3.36Å; K97-L99 HydrophobicContact CD-CD1 3.9Å; K97-L99 HydrophobicContact CD-CD2 4.06Å; K97-L99 HydrophobicContact CD-CG 3.52Å; K97-L99 VanDerWaalsContact NZ-CG 3.3Å; K97-N124 VanDerWaalsContact NZ-CG 3.33Å; K97-N124 PolarHBondContact NZ-O 2.85Å; K97-N124 PolarHBondContact NZ-OD1 3.47Å; K97-E125 WeakPolarHBondContact O-CA 3.44Å; K97-F126 PolarHBondContact N-O 2.78Å; K97-F126 PolarHBondContact O-N 3.28Å; K97-L135 HydrophobicContact CD-CD2 4.01Å; K97-L135 HydrophobicContact CG-CD2 3.64Å; K97-I137 VanDerWaalsContact CE-CD1 3.42Å; K97-F217 HydrophobicContact CG-CZ 4.46Å; K97-I219 HydrophobicContact CB-CD1 4.38Å; K97-I219 HydrophobicContact CD-CD1 4.01Å; K97-I219 HydrophobicContact CG-CD1 4.01Å |
| 98 | R | 83 | Confident | 76.6 | Confident | 58 Ų | 58 | 30.6 Ų | 30.6 | 22% | 0.219 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 120.7 | 167.2 | -172 | -176.6 | -82.8 | 170.5 | -8.3 | 108.9 | W14 Y16 F100 N124 E125 | W14-R98 HydrophobicContact CB-CB 3.89Å; W14-R98 PolarHBondContact N-O 2.77Å; W14-R98 PolarHBondContact O-N 3.43Å; Y16-R98 HydrophobicContact CE2-CB 4.2Å; R98-F100 HydrophobicContact CG-CD2 4.17Å; R98-F100 HydrophobicContact CG-CE2 3.57Å; R98-F100 HydrophobicContact CG-CZ 4.21Å; R98-N124 CarbonylContact C-O 3.57Å; R98-N124 WeakPolarHBondContact CA-O 3.29Å; R98-E125 HydrophobicContact CB-CB 4.47Å; R98-E125 HydrophobicContact CB-CG 4.29Å; R98-E125 HydrophobicContact CG-CB 4.13Å; R98-E125 HydrophobicContact CG-CG 4.3Å; R98-E125 IonicContact CZ-OE1 3.55Å; R98-E125 IonicContact CZ-OE2 3.45Å; R98-E125 IonicContact NE-OE1 3.85Å; R98-E125 PolarHBondContact NE-OE1 3.25Å; R98-E125 IonicContact NE-OE2 3.38Å; R98-E125 PolarHBondContact NE-OE2 2.95Å; R98-E125 IonicContact NH2-OE1 2.83Å; R98-E125 PolarHBondContact NH2-OE1 3.08Å; R98-E125 IonicContact NH2-OE2 2.85Å; R98-E125 PolarHBondContact NH2-OE2 2.76Å |
| 99 | L | 84.1 | Confident | 76.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 138 | 178 | -64.4 | 172.8 | 0 | 0 | 0 | 110.4 | V13 I84 K97 W123 N124 I137 I219 L221 | V13-L99 HydrophobicContact CB-CD2 4.12Å; V13-L99 HydrophobicContact CG1-CD2 3.76Å; V13-L99 HydrophobicContact CG2-CD2 3.67Å; I84-L99 HydrophobicContact CD1-CD2 3.76Å; K97-L99 HydrophobicContact CD-CD1 3.9Å; K97-L99 HydrophobicContact CD-CD2 4.06Å; K97-L99 HydrophobicContact CD-CG 3.52Å; K97-L99 VanDerWaalsContact NZ-CG 3.3Å; L99-W123 WeakPolarHBondContact O-CA 3.47Å; L99-N124 PolarHBondContact N-O 3.01Å; L99-N124 PolarHBondContact O-N 3.27Å; L99-N124 VanDerWaalsContact O-N 3.15Å; L99-I137 HydrophobicContact CD1-CD1 4.38Å; L99-I219 HydrophobicContact CD1-CG2 4.44Å; L99-L221 HydrophobicContact CD1-CD2 4.49Å |
| 100 | F | 83.2 | Confident | 76.4 | Confident | 5 Ų | 5 | 33.4 Ų | 33.4 | 2% | 0.022 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 108.3 | 165.6 | -70.2 | -84.8 | 0 | 0 | 0 | 108.8 | S11 F12 R98 L121 I122 W123 L181 L185 | S11-F100 CarbonylContact C-O 3.59Å; S11-F100 VanDerWaalsContact CA-O 3.28Å; S11-F100 WeakPolarHBondContact CA-O 3.49Å; F12-F100 HydrophobicContact CB-CB 4.27Å; F12-F100 PolarHBondContact N-O 3.28Å; F12-F100 PolarHBondContact O-N 3.37Å; R98-F100 HydrophobicContact CG-CD2 4.17Å; R98-F100 HydrophobicContact CG-CE2 3.57Å; R98-F100 HydrophobicContact CG-CZ 4.21Å; F100-L121 HydrophobicContact CB-CD1 4.42Å; F100-L121 HydrophobicContact CD1-CD1 4.25Å; F100-L121 HydrophobicContact CD1-CD2 4.11Å; F100-L121 HydrophobicContact CD1-CG 4.47Å; F100-L121 HydrophobicContact CE1-CD2 4.49Å; F100-I122 CarbonylContact C-O 3.57Å; F100-I122 WeakPolarHBondContact CA-O 3.37Å; F100-W123 HydrophobicContact CD1-CB 4.31Å; F100-W123 AromaticContact CD1-CD1 3.71Å; F100-W123 HydrophobicContact CD1-CG 4.26Å; F100-W123 HydrophobicContact CE1-CB 4.27Å; F100-W123 AromaticContact CE1-CD1 3.18Å; F100-W123 AromaticContact CE1-CG 3.8Å; F100-W123 HydrophobicContact CE1-CG 3.8Å; F100-W123 AromaticContact CE1-NE1 3.74Å; F100-W123 AromaticContact CZ-CD1 3.36Å; F100-W123 HydrophobicContact CZ-CG 4.34Å; F100-W123 AromaticContact CZ-NE1 3.49Å; F100-L181 HydrophobicContact CB-CD2 4.07Å; F100-L181 HydrophobicContact CD1-CD2 3.75Å; F100-L181 HydrophobicContact CD2-CD1 4.04Å; F100-L181 HydrophobicContact CD2-CD2 3.54Å; F100-L181 HydrophobicContact CD2-CG 4.39Å; F100-L181 HydrophobicContact CE1-CD2 3.95Å; F100-L181 HydrophobicContact CE2-CB 4.48Å; F100-L181 HydrophobicContact CE2-CD1 3.7Å; F100-L181 HydrophobicContact CE2-CD2 3.72Å; F100-L181 HydrophobicContact CE2-CG 4.18Å; F100-L181 HydrophobicContact CG-CD2 3.52Å; F100-L181 HydrophobicContact CZ-CB 4.25Å; F100-L181 HydrophobicContact CZ-CD1 4.29Å; F100-L181 HydrophobicContact CZ-CD2 3.93Å; F100-L181 HydrophobicContact CZ-CG 4.39Å; F100-L185 HydrophobicContact CE1-CD1 3.76Å; F100-L185 HydrophobicContact CE1-CG 4.47Å; F100-L185 HydrophobicContact CZ-CD1 4.2Å |
| 101 | I | 83.2 | Confident | 76.5 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 107.4 | -179.7 | -53.1 | 175.2 | 0 | 0 | 0 | 107.6 | P6 I82 I122 L221 | P6-I101 HydrophobicContact CB-CG2 3.82Å; I82-I101 HydrophobicContact CD1-CD1 3.96Å; I82-I101 HydrophobicContact CD1-CG2 4.45Å; I82-I101 HydrophobicContact CG2-CD1 4.41Å; I101-I122 HydrophobicContact CB-CB 4.12Å; I101-I122 HydrophobicContact CB-CD1 4.36Å; I101-I122 HydrophobicContact CG2-CD1 4.45Å; I101-I122 PolarHBondContact N-O 3.01Å; I101-I122 VanDerWaalsContact O-CB 3.3Å; I101-I122 WeakPolarHBondContact O-CB 2.93Å; I101-I122 PolarHBondContact O-N 3.44Å; I101-L221 HydrophobicContact CD1-CD2 4.45Å |
| 102 | P | 84.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 138.9 | 170.7 | -19.7 | 33.6 | 0 | 0 | 0 | 109.6 | P6 E7 Q10 G120 L121 V166 M167 | P6-P102 WeakPolarHBondContact CA-O 3.47Å; E7-P102 HydrophobicContact CB-CB 4.26Å; E7-P102 PolarHBondContact N-O 3.41Å; Q10-P102 HydrophobicContact CB-CG 3.79Å; Q10-P102 VanDerWaalsContact O-CD 3.29Å; Q10-P102 WeakPolarHBondContact O-CD 3.14Å; P102-G120 WeakPolarHBondContact CA-O 3.43Å; P102-L121 HydrophobicContact CG-CD1 4.39Å; P102-V166 HydrophobicContact CB-CB 4.32Å; P102-V166 HydrophobicContact CB-CG2 4.25Å; P102-V166 HydrophobicContact CG-CB 4.46Å; P102-M167 HydrophobicContact CG-CE 4.27Å |
| 103 | I | 86.7 | Confident | 75.7 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 134.6 | -179.6 | -170.9 | 165.9 | 0 | 0 | 0 | 110.2 | C4 I80 T119 G120 I122 L141 I195 | C4-I103 HydrophobicContact CB-CD1 4.17Å; C4-I103 HydrophobicContact CB-CG1 4.44Å; I80-I103 HydrophobicContact CD1-CD1 4.02Å; I103-T119 CarbonylContact O-C 3.58Å; I103-T119 WeakPolarHBondContact O-CA 3.41Å; I103-G120 PolarHBondContact N-O 3.12Å; I103-G120 PolarHBondContact O-N 3.42Å; I103-I122 HydrophobicContact CB-CD1 3.96Å; I103-I122 HydrophobicContact CB-CG1 4.45Å; I103-I122 HydrophobicContact CD1-CD1 3.89Å; I103-I122 HydrophobicContact CG2-CD1 4.04Å; I103-I122 HydrophobicContact CG2-CG1 4.02Å; I103-L141 HydrophobicContact CD1-CD1 4.22Å; I103-I195 HydrophobicContact CG2-CG2 4.2Å |
| 104 | T | 86.4 | Confident | 75.2 | Confident | 21 Ų | 21 | 42.5 Ų | 42.5 | 13% | 0.129 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 118.8 | 179.6 | -56.7 | 0 | 0 | 0 | 0 | 109 | C4 F5 E7 N117 V118 | C4-T104 WeakPolarHBondContact CA-O 3.2Å; F5-T104 PolarHBondContact N-O 2.7Å; F5-T104 PolarHBondContact O-N 3.39Å; E7-T104 PolarHBondContact OE1-OG1 2.81Å; T104-N117 HydrophobicContact CG2-CB 4.19Å; T104-V118 WeakPolarHBondContact CA-O 3.49Å |
| 105 | C | 84.6 | Confident | 75 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 134.1 | -178.6 | -71.3 | 0 | 0 | 0 | 0 | 111.5 | C4 L107 N117 V118 L141 I195 | C4-C105 HydrophobicContact CB-CB 4.09Å; C4-C105 WeakPolarHBondContact CB-SG 3.38Å; C4-C105 WeakPolarHBondContact SG-CB 3.4Å; C4-C105 CovalentContact SG-SG 2.02Å; C4-C105 PolarHBondContact SG-SG 2.97Å; C105-L107 PolarHBondContact O-N 2.93Å; C105-N117 WeakPolarHBondContact O-CA 3.02Å; C105-V118 PolarHBondContact N-O 3.26Å; C105-V118 PolarHBondContact O-N 3.25Å; C105-L141 VanDerWaalsContact SG-CD2 3.59Å; C105-I195 HydrophobicContact CB-CD1 3.45Å; C105-I195 VanDerWaalsContact CB-CD1 3.45Å |
| 106 | G | 80.7 | Confident | 75.1 | Confident | 8 Ų | 8 | 43.9 Ų | 43.9 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 114.6 | 168 | 0 | 0 | 0 | 0 | 0 | 110.7 | G2 P3 N117 | G2-G106 CarbonylContact C-O 3.39Å; G2-G106 WeakPolarHBondContact CA-O 3.25Å; G2-G106 PolarHBondContact N-O 3.46Å; P3-G106 PolarHBondContact O-N 3.49Å; G106-N117 WeakPolarHBondContact CA-OD1 3.2Å |
| 107 | L | 75.3 | Confident | 75.2 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 127.4 | 166 | -61.3 | 176.2 | 0 | 0 | 0 | 108.7 | M1 C105 S115 L116 V118 I143 L193 L230 | M1-L107 HydrophobicContact CE-CD2 4.26Å; M1-L107 HydrophobicContact CG-CD2 3.75Å; C105-L107 PolarHBondContact O-N 2.93Å; L107-S115 VanDerWaalsContact O-CA 3.3Å; L107-S115 WeakPolarHBondContact O-CA 3.26Å; L107-L116 WeakPolarHBondContact CA-O 3.4Å; L107-L116 WeakPolarHBondContact CB-O 3.3Å; L107-L116 PolarHBondContact N-O 2.72Å; L107-L116 PolarHBondContact O-N 3.44Å; L107-V118 HydrophobicContact CD1-CB 4.3Å; L107-V118 HydrophobicContact CD1-CG2 3.38Å; L107-V118 HydrophobicContact CG-CG2 4.01Å; L107-I143 HydrophobicContact CD1-CD1 4.48Å; L107-I143 HydrophobicContact CD2-CD1 3.66Å; L107-L193 HydrophobicContact CD1-CD2 3.74Å; L107-L230 HydrophobicContact CB-CD1 4.18Å; L107-L230 HydrophobicContact CD1-CD1 3.79Å; L107-L230 HydrophobicContact CD1-CD2 4.15Å; L107-L230 HydrophobicContact CD2-CD1 4.42Å; L107-L230 HydrophobicContact CG-CD1 4.36Å |
| 108 | R | 69.1 | Low | 75.2 | Confident | 142 Ų | 142 | 47 Ų | 47 | 54% | 0.536 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 133.5 | 177.9 | -67.4 | 176.6 | 175.5 | -161.7 | 10.2 | 108.7 | N112 F114 | R108-N112 WeakPolarHBondContact CD-OD1 3.5Å; R108-N112 PolarHBondContact NH1-OD1 3.35Å; R108-F114 VanDerWaalsContact CA-O 3.31Å; R108-F114 WeakPolarHBondContact CA-O 3.11Å |
| 109 | H | 64.7 | Low | 75.4 | Confident | 61 Ų | 61 | 44.3 Ų | 44.3 | 28% | 0.282 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.9 | 172.1 | -176.1 | 71 | 0 | 0 | 0 | 109.6 | E113 F114 F232 | H109-E113 PolarHBondContact O-N 3.03Å; H109-F114 HydrophobicContact CB-CB 4.19Å; H109-F114 HydrophobicContact CB-CD1 4.46Å; H109-F114 PolarHBondContact N-O 2.77Å; H109-F114 PolarHBondContact O-N 2.96Å; H109-F232 HydrophobicContact CB-CE2 4.49Å; H109-F232 HydrophobicContact CB-CZ 4.18Å; H109-F232 AromaticContact ND1-CE2 3.74Å |
| 110 | N | 55.7 | Low | 75.6 | Confident | 108 Ų | 108 | 44.3 Ų | 44.3 | 58% | 0.578 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 32.9 | 96.6 | 176.6 | -96.4 | -5.8 | 0 | 0 | 0 | 115.4 | N112 E113 | N110-N112 PolarHBondContact O-N 3.38Å; N110-E113 PolarHBondContact O-N 3.49Å |
| 111 | N | 58 | Low | 75.8 | Confident | 161 Ų | 161 | 44.6 Ų | 44.6 | 86% | 0.861 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 35.1 | 172.5 | -68.4 | -11.4 | 0 | 0 | 0 | 115.4 | ||
| 112 | N | 57.4 | Low | 75.9 | Confident | 101 Ų | 101 | 44.4 Ų | 44.4 | 54% | 0.54 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 15.8 | -179 | -50 | -44.9 | 0 | 0 | 0 | 116 | R108 N110 F114 | R108-N112 WeakPolarHBondContact CD-OD1 3.5Å; R108-N112 PolarHBondContact NH1-OD1 3.35Å; N110-N112 PolarHBondContact O-N 3.38Å; N112-F114 PolarHBondContact O-N 2.95Å |
| 113 | E | 58 | Low | 76.1 | Confident | 158 Ų | 158 | 50 Ų | 50 | 74% | 0.738 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -30.3 | 176.7 | -75.1 | -176 | 170.8 | 0 | 0 | 112.8 | H109 N110 | H109-E113 PolarHBondContact O-N 3.03Å; N110-E113 PolarHBondContact O-N 3.49Å |
| 114 | F | 63.6 | Low | 76.1 | Confident | 29 Ų | 29 | 50.6 Ų | 50.6 | 13% | 0.127 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 122.7 | 174.6 | 179.6 | -94.8 | 0 | 0 | 0 | 110 | R108 H109 N112 L116 I149 L151 F232 | R108-F114 VanDerWaalsContact CA-O 3.31Å; R108-F114 WeakPolarHBondContact CA-O 3.11Å; H109-F114 HydrophobicContact CB-CB 4.19Å; H109-F114 HydrophobicContact CB-CD1 4.46Å; H109-F114 PolarHBondContact N-O 2.77Å; H109-F114 PolarHBondContact O-N 2.96Å; N112-F114 PolarHBondContact O-N 2.95Å; F114-L116 HydrophobicContact CD1-CB 4.44Å; F114-L116 HydrophobicContact CE1-CB 3.58Å; F114-L116 HydrophobicContact CE1-CD2 4.35Å; F114-L116 HydrophobicContact CZ-CB 3.87Å; F114-L116 HydrophobicContact CZ-CD2 4.33Å; F114-I149 HydrophobicContact CZ-CG2 4.3Å; F114-L151 WeakPolarHBondContact CD2-O 3.5Å; F114-F232 HydrophobicContact CD1-CE1 4.36Å; F114-F232 HydrophobicContact CE1-CE1 4.15Å |
| 115 | S | 73.7 | Confident | 76.1 | Confident | 60 Ų | 60 | 52.9 Ų | 52.9 | 42% | 0.42 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 117.4 | 173.3 | 69.5 | 0 | 0 | 0 | 0 | 110.9 | L107 K159 | L107-S115 VanDerWaalsContact O-CA 3.3Å; L107-S115 WeakPolarHBondContact O-CA 3.26Å; S115-K159 WeakPolarHBondContact O-CE 3.42Å; S115-K159 PolarHBondContact O-NZ 3.03Å |
| 116 | L | 78.6 | Confident | 76.1 | Confident | 1 Ų | 1 | 55.2 Ų | 55.2 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 126.7 | 176.7 | -179.3 | 69.7 | 0 | 0 | 0 | 108.8 | L107 F114 V118 K159 Y162 L193 | L107-L116 WeakPolarHBondContact CA-O 3.4Å; L107-L116 WeakPolarHBondContact CB-O 3.3Å; L107-L116 PolarHBondContact N-O 2.72Å; L107-L116 PolarHBondContact O-N 3.44Å; F114-L116 HydrophobicContact CD1-CB 4.44Å; F114-L116 HydrophobicContact CE1-CB 3.58Å; F114-L116 HydrophobicContact CE1-CD2 4.35Å; F114-L116 HydrophobicContact CZ-CB 3.87Å; F114-L116 HydrophobicContact CZ-CD2 4.33Å; L116-V118 HydrophobicContact CD2-CG2 3.91Å; L116-V118 HydrophobicContact CG-CG2 4.01Å; L116-K159 HydrophobicContact CD1-CG 3.64Å; L116-Y162 HydrophobicContact CD1-CD2 3.99Å; L116-Y162 HydrophobicContact CD1-CG 4.23Å; L116-Y162 HydrophobicContact CD2-CD1 4.43Å; L116-Y162 HydrophobicContact CD2-CD2 4.22Å; L116-Y162 HydrophobicContact CD2-CG 4.05Å; L116-L193 HydrophobicContact CD2-CD2 3.87Å |
| 117 | N | 83.9 | Confident | 76.2 | Confident | 65 Ų | 65 | 59.4 Ų | 59.4 | 35% | 0.348 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 133.5 | 169.8 | -68.9 | -12.2 | 0 | 0 | 0 | 108.4 | T104 C105 G106 M163 | T104-N117 HydrophobicContact CG2-CB 4.19Å; C105-N117 WeakPolarHBondContact O-CA 3.02Å; G106-N117 WeakPolarHBondContact CA-OD1 3.2Å; N117-M163 HydrophobicContact CB-CE 3.81Å; N117-M163 HydrophobicContact CB-CG 3.9Å; N117-M163 HydrophobicContact CB-SD 3.91Å; N117-M163 WeakPolarHBondContact O-CG 3.44Å |
| 118 | V | 85.8 | Confident | 76.5 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.5 | -179.2 | -178 | 0 | 0 | 0 | 0 | 108.5 | T104 C105 L107 L116 L193 I195 | T104-V118 WeakPolarHBondContact CA-O 3.49Å; C105-V118 PolarHBondContact N-O 3.26Å; C105-V118 PolarHBondContact O-N 3.25Å; L107-V118 HydrophobicContact CD1-CB 4.3Å; L107-V118 HydrophobicContact CD1-CG2 3.38Å; L107-V118 HydrophobicContact CG-CG2 4.01Å; L116-V118 HydrophobicContact CD2-CG2 3.91Å; L116-V118 HydrophobicContact CG-CG2 4.01Å; V118-L193 HydrophobicContact CB-CD2 4.46Å; V118-L193 HydrophobicContact CG1-CD2 4.21Å; V118-L193 HydrophobicContact CG1-CG 4.15Å; V118-L193 HydrophobicContact CG2-CD2 3.44Å; V118-L193 VanDerWaalsContact CG2-CD2 3.44Å; V118-L193 HydrophobicContact CG2-CG 4.25Å; V118-I195 HydrophobicContact CB-CD1 4.1Å; V118-I195 HydrophobicContact CG1-CD1 4.11Å; V118-I195 HydrophobicContact CG1-CG1 4.03Å |
| 119 | T | 86.9 | Confident | 76.9 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 126.9 | 176.4 | -35.9 | 0 | 0 | 0 | 0 | 108.6 | I103 Y162 M163 V166 R191 | I103-T119 CarbonylContact O-C 3.58Å; I103-T119 WeakPolarHBondContact O-CA 3.41Å; T119-Y162 PolarHBondContact N-O 3.07Å; T119-Y162 PolarHBondContact OG1-O 3.48Å; T119-M163 WeakPolarHBondContact OG1-CA 3.4Å; T119-M163 PolarHBondContact OG1-O 2.96Å; T119-V166 HydrophobicContact CG2-CG2 3.89Å; T119-R191 PolarHBondContact O-NH1 3.38Å |
| 120 | G | 87.1 | Confident | 77.5 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | -169.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | P102 I103 V166 I195 | P102-G120 WeakPolarHBondContact CA-O 3.43Å; I103-G120 PolarHBondContact N-O 3.12Å; I103-G120 PolarHBondContact O-N 3.42Å; G120-V166 WeakPolarHBondContact O-CG2 3.24Å; G120-I195 WeakPolarHBondContact CA-O 3.47Å |
| 121 | L | 87.4 | Confident | 78.6 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.052 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 121.8 | -172.2 | -178.2 | 65.8 | 0 | 0 | 0 | 110.2 | F100 P102 W123 V166 L185 V188 I195 | F100-L121 HydrophobicContact CB-CD1 4.42Å; F100-L121 HydrophobicContact CD1-CD1 4.25Å; F100-L121 HydrophobicContact CD1-CD2 4.11Å; F100-L121 HydrophobicContact CD1-CG 4.47Å; F100-L121 HydrophobicContact CE1-CD2 4.49Å; P102-L121 HydrophobicContact CG-CD1 4.39Å; L121-W123 PolarHBondContact O-N 3.3Å; L121-V166 HydrophobicContact CB-CG1 4.25Å; L121-V166 HydrophobicContact CB-CG2 4.44Å; L121-V166 HydrophobicContact CD1-CG1 4.03Å; L121-V166 HydrophobicContact CD2-CG1 4.19Å; L121-V166 HydrophobicContact CG-CG1 4.38Å; L121-L185 HydrophobicContact CD2-CG 4.29Å; L121-V188 HydrophobicContact CB-CG1 4.2Å; L121-V188 HydrophobicContact CB-CG2 4.07Å; L121-V188 HydrophobicContact CD2-CG2 4.48Å; L121-I195 PolarHBondContact N-O 3.46Å |
| 122 | I | 86.6 | Confident | 79.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 112.1 | 165 | -66.2 | 157.9 | 0 | 0 | 0 | 107.2 | F100 I101 I103 L197 L221 I223 | F100-I122 CarbonylContact C-O 3.57Å; F100-I122 WeakPolarHBondContact CA-O 3.37Å; I101-I122 HydrophobicContact CB-CB 4.12Å; I101-I122 HydrophobicContact CB-CD1 4.36Å; I101-I122 HydrophobicContact CG2-CD1 4.45Å; I101-I122 PolarHBondContact N-O 3.01Å; I101-I122 VanDerWaalsContact O-CB 3.3Å; I101-I122 WeakPolarHBondContact O-CB 2.93Å; I101-I122 PolarHBondContact O-N 3.44Å; I103-I122 HydrophobicContact CB-CD1 3.96Å; I103-I122 HydrophobicContact CB-CG1 4.45Å; I103-I122 HydrophobicContact CD1-CD1 3.89Å; I103-I122 HydrophobicContact CG2-CD1 4.04Å; I103-I122 HydrophobicContact CG2-CG1 4.02Å; I122-L197 HydrophobicContact CB-CG 4.46Å; I122-L197 HydrophobicContact CG1-CD2 4.17Å; I122-L197 HydrophobicContact CG1-CG 4.34Å; I122-L197 HydrophobicContact CG2-CD1 3.6Å; I122-L197 HydrophobicContact CG2-CD2 4.37Å; I122-L197 HydrophobicContact CG2-CG 3.93Å; I122-L221 HydrophobicContact CG2-CD2 4.09Å; I122-I223 HydrophobicContact CD1-CD1 3.4Å; I122-I223 VanDerWaalsContact CD1-CD1 3.4Å; I122-I223 HydrophobicContact CG1-CD1 4.17Å |
| 123 | W | 87 | Confident | 80.7 | Confident | 116 Ų | 116 | 47.5 Ų | 47.5 | 44% | 0.439 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.2 | 172.6 | 174.2 | 53.8 | 0 | 0 | 0 | 109.7 | L99 F100 L121 L185 | L99-W123 WeakPolarHBondContact O-CA 3.47Å; F100-W123 HydrophobicContact CD1-CB 4.31Å; F100-W123 AromaticContact CD1-CD1 3.71Å; F100-W123 HydrophobicContact CD1-CG 4.26Å; F100-W123 HydrophobicContact CE1-CB 4.27Å; F100-W123 AromaticContact CE1-CD1 3.18Å; F100-W123 AromaticContact CE1-CG 3.8Å; F100-W123 HydrophobicContact CE1-CG 3.8Å; F100-W123 AromaticContact CE1-NE1 3.74Å; F100-W123 AromaticContact CZ-CD1 3.36Å; F100-W123 HydrophobicContact CZ-CG 4.34Å; F100-W123 AromaticContact CZ-NE1 3.49Å; L121-W123 PolarHBondContact O-N 3.3Å; W123-L185 HydrophobicContact CD2-CD1 4.35Å; W123-L185 HydrophobicContact CD2-CD2 4.47Å; W123-L185 HydrophobicContact CE3-CD2 4.14Å |
| 124 | N | 87.2 | Confident | 81.9 | Confident | 14 Ų | 14 | 42.4 Ų | 42.4 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 121.2 | 175.1 | -179.5 | -64.4 | 0 | 0 | 0 | 110.6 | K97 R98 L99 L197 T200 | K97-N124 VanDerWaalsContact NZ-CG 3.33Å; K97-N124 PolarHBondContact NZ-O 2.85Å; K97-N124 PolarHBondContact NZ-OD1 3.47Å; R98-N124 CarbonylContact C-O 3.57Å; R98-N124 WeakPolarHBondContact CA-O 3.29Å; L99-N124 PolarHBondContact N-O 3.01Å; L99-N124 PolarHBondContact O-N 3.27Å; L99-N124 VanDerWaalsContact O-N 3.15Å; N124-L197 HydrophobicContact CB-CD1 4.43Å; N124-T200 WeakPolarHBondContact ND2-CG2 3.03Å |
| 125 | E | 86.7 | Confident | 83 | Confident | 69 Ų | 69 | 41 Ų | 41 | 32% | 0.322 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 134.5 | 174.3 | -174.8 | 169.9 | -175.7 | 0 | 0 | 110.4 | K97 R98 | K97-E125 WeakPolarHBondContact O-CA 3.44Å; R98-E125 HydrophobicContact CB-CB 4.47Å; R98-E125 HydrophobicContact CB-CG 4.29Å; R98-E125 HydrophobicContact CG-CB 4.13Å; R98-E125 HydrophobicContact CG-CG 4.3Å; R98-E125 IonicContact CZ-OE1 3.55Å; R98-E125 IonicContact CZ-OE2 3.45Å; R98-E125 IonicContact NE-OE1 3.85Å; R98-E125 PolarHBondContact NE-OE1 3.25Å; R98-E125 IonicContact NE-OE2 3.38Å; R98-E125 PolarHBondContact NE-OE2 2.95Å; R98-E125 IonicContact NH2-OE1 2.83Å; R98-E125 PolarHBondContact NH2-OE1 3.08Å; R98-E125 IonicContact NH2-OE2 2.85Å; R98-E125 PolarHBondContact NH2-OE2 2.76Å |
| 126 | F | 85 | Confident | 83.6 | Confident | 48 Ų | 48 | 42.8 Ų | 42.8 | 21% | 0.211 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 127.7 | 175.4 | -175.8 | -101.3 | 0 | 0 | 0 | 109.3 | G96 K97 I132 L135 C202 M204 | G96-F126 CarbonylContact C-O 3.46Å; G96-F126 WeakPolarHBondContact CA-O 3.39Å; K97-F126 PolarHBondContact N-O 2.78Å; K97-F126 PolarHBondContact O-N 3.28Å; F126-I132 HydrophobicContact CD1-CD1 3.76Å; F126-I132 HydrophobicContact CE1-CD1 3.58Å; F126-I132 HydrophobicContact CE1-CG1 4.49Å; F126-L135 HydrophobicContact CB-CD2 4.42Å; F126-L135 HydrophobicContact CD1-CD1 3.67Å; F126-L135 HydrophobicContact CD1-CD2 4.3Å; F126-L135 HydrophobicContact CE1-CD1 3.84Å; F126-L135 HydrophobicContact CG-CD1 4.18Å; F126-L135 HydrophobicContact CZ-CD1 4.48Å; F126-C202 HydrophobicContact CD2-CB 4.44Å; F126-M204 HydrophobicContact CE1-CB 4.43Å; F126-M204 HydrophobicContact CE1-SD 3.91Å; F126-M204 HydrophobicContact CZ-CG 4.5Å; F126-M204 HydrophobicContact CZ-SD 3.77Å |
| 127 | I | 83.6 | Confident | 84 | Confident | 96 Ų | 96 | 42.9 Ų | 42.9 | 49% | 0.492 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 123.8 | 175.4 | -59.5 | 171.8 | 0 | 0 | 0 | 106.8 | Y16 | Y16-I127 HydrophobicContact CD2-CD1 4.25Å; Y16-I127 HydrophobicContact CD2-CG1 3.88Å; Y16-I127 HydrophobicContact CE2-CD1 4.06Å; Y16-I127 HydrophobicContact CE2-CG1 3.99Å |
| 128 | S | 81.2 | Confident | 84.1 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 8% | 0.084 | 20% | 0.204 | C | C | . | . | trans | -101.1 | 160.1 | 174 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | M95 T130 M204 | M95-S128 WeakPolarHBondContact CE-O 3.49Å; M95-S128 WeakPolarHBondContact O-CA 3.26Å; M95-S128 WeakPolarHBondContact O-CB 3.36Å; M95-S128 PolarHBondContact O-N 2.84Å; S128-T130 VanDerWaalsContact CB-O 3.32Å; S128-T130 WeakPolarHBondContact CB-O 3.35Å; S128-T130 PolarHBondContact OG-N 3.01Å; S128-T130 PolarHBondContact OG-O 3.35Å; S128-T130 PolarHBondContact OG-OG1 2.94Å; S128-M204 PolarHBondContact OG-SD 3.41Å | ||
| 129 | Q | 77 | Confident | 84.3 | Confident | 191 Ų | 191 | 41.8 Ų | 41.8 | 89% | 0.893 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -88.3 | -12.3 | 169.2 | -64.8 | -177.2 | -13.5 | 0 | 0 | 112.5 | M95 | M95-Q129 WeakPolarHBondContact CE-O 3.44Š|
| 130 | T | 77.4 | Confident | 84.3 | Confident | 68 Ų | 68 | 44.1 Ų | 44.1 | 42% | 0.417 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -119.9 | 153.8 | 179.5 | 56 | 0 | 0 | 0 | 0 | 110.2 | S128 I132 T206 | S128-T130 VanDerWaalsContact CB-O 3.32Å; S128-T130 WeakPolarHBondContact CB-O 3.35Å; S128-T130 PolarHBondContact OG-N 3.01Å; S128-T130 PolarHBondContact OG-O 3.35Å; S128-T130 PolarHBondContact OG-OG1 2.94Å; T130-I132 PolarHBondContact O-N 3.22Å; T130-T206 WeakPolarHBondContact OG1-CG2 3.11Å |
| 131 | S | 77.5 | Confident | 84.4 | Confident | 34 Ų | 34 | 44.1 Ų | 44.1 | 24% | 0.238 | 22% | 0.215 | C | C | . | . | trans | -59.3 | 134.7 | 175.3 | 50 | 0 | 0 | 0 | 0 | 110.8 | I94 T206 | I94-S131 WeakPolarHBondContact O-CA 3.35Å; S131-T206 WeakPolarHBondContact O-CG2 3.32Å | ||
| 132 | I | 79.9 | Confident | 84.4 | Confident | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 22% | 0.221 | C | C | . | . | trans | -106.7 | 133.6 | -178.3 | -47.9 | 164.7 | 0 | 0 | 0 | 108.4 | I94 F126 T130 D134 L135 M204 F217 | I94-I132 PolarHBondContact O-N 2.81Å; F126-I132 HydrophobicContact CD1-CD1 3.76Å; F126-I132 HydrophobicContact CE1-CD1 3.58Å; F126-I132 HydrophobicContact CE1-CG1 4.49Å; T130-I132 PolarHBondContact O-N 3.22Å; I132-D134 WeakPolarHBondContact CG2-O 3.45Å; I132-L135 HydrophobicContact CG2-CB 4.38Å; I132-M204 HydrophobicContact CG1-SD 4.41Å; I132-M204 HydrophobicContact CG2-CB 4.08Å; I132-F217 HydrophobicContact CB-CD2 4.37Å; I132-F217 HydrophobicContact CB-CE2 3.84Å; I132-F217 HydrophobicContact CG2-CD2 4.33Å; I132-F217 HydrophobicContact CG2-CE2 3.66Å; I132-F217 WeakPolarHBondContact O-CD2 3.36Å | ||
| 133 | T | 80.6 | Confident | 84.4 | Confident | 18 Ų | 18 | 46.3 Ų | 46.3 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -102.4 | -47.4 | 172.5 | 46.2 | 0 | 0 | 0 | 0 | 111.3 | S205 E215 F217 H218 | T133-S205 PolarHBondContact N-O 2.81Å; T133-S205 PolarHBondContact OG1-O 3.42Å; T133-S205 PolarHBondContact OG1-OG 3.09Å; T133-E215 WeakPolarHBondContact CG2-OE2 3.46Å; T133-F217 CarbonylContact O-C 3.58Å; T133-F217 VanDerWaalsContact O-CA 3.25Å; T133-F217 WeakPolarHBondContact O-CA 3.39Å; T133-F217 VanDerWaalsContact O-CD2 3.32Å; T133-F217 WeakPolarHBondContact O-CD2 3.39Å; T133-H218 PolarHBondContact O-N 2.92Å |
| 134 | D | 84.1 | Confident | 84.4 | Confident | 51 Ų | 51 | 44.7 Ų | 44.7 | 27% | 0.273 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 140.8 | 173.7 | -44.5 | -61.4 | 0 | 0 | 0 | 111.1 | I132 F136 M204 S205 H218 | I132-D134 WeakPolarHBondContact CG2-O 3.45Å; D134-F136 HydrophobicContact CB-CD2 4.14Å; D134-F136 HydrophobicContact CB-CE2 3.57Å; D134-F136 HydrophobicContact CB-CZ 4.36Å; D134-M204 CarbonylContact O-C 3.59Å; D134-M204 VanDerWaalsContact O-CA 3.32Å; D134-M204 WeakPolarHBondContact O-CA 3.49Å; D134-S205 WeakPolarHBondContact CA-OG 3.39Å; D134-S205 WeakPolarHBondContact CB-OG 3.34Å; D134-S205 PolarHBondContact N-OG 3.31Å; D134-S205 PolarHBondContact O-N 3.5Å; D134-S205 PolarHBondContact OD2-OG 3.32Å; D134-H218 CarbonylContact C-O 3.6Å; D134-H218 VanDerWaalsContact CA-O 3.31Å; D134-H218 WeakPolarHBondContact CA-O 3.49Å; D134-H218 WeakPolarHBondContact OD1-CB 3.44Å |
| 135 | L | 85.6 | Confident | 84.4 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 108.9 | 175 | -172.7 | 70.7 | 0 | 0 | 0 | 109.6 | K97 F126 I132 I137 M204 F217 H218 I219 T220 | K97-L135 HydrophobicContact CD-CD2 4.01Å; K97-L135 HydrophobicContact CG-CD2 3.64Å; F126-L135 HydrophobicContact CB-CD2 4.42Å; F126-L135 HydrophobicContact CD1-CD1 3.67Å; F126-L135 HydrophobicContact CD1-CD2 4.3Å; F126-L135 HydrophobicContact CE1-CD1 3.84Å; F126-L135 HydrophobicContact CG-CD1 4.18Å; F126-L135 HydrophobicContact CZ-CD1 4.48Å; I132-L135 HydrophobicContact CG2-CB 4.38Å; L135-I137 HydrophobicContact CD2-CD1 3.91Å; L135-I137 HydrophobicContact CD2-CG1 4.27Å; L135-I137 HydrophobicContact CG-CD1 4.25Å; L135-I137 HydrophobicContact CG-CG1 4.06Å; L135-M204 HydrophobicContact CD1-CB 4.2Å; L135-F217 HydrophobicContact CB-CE2 4.21Å; L135-F217 HydrophobicContact CB-CZ 4.27Å; L135-H218 PolarHBondContact N-O 2.8Å; L135-I219 HydrophobicContact CB-CG1 4.3Å; L135-I219 HydrophobicContact CD2-CG1 4.47Å; L135-I219 HydrophobicContact CD2-CG2 4.43Å; L135-I219 CarbonylContact O-C 3.53Å; L135-I219 WeakPolarHBondContact O-CA 3.29Å; L135-T220 PolarHBondContact O-N 2.82Å |
| 136 | F | 86.2 | Confident | 84.3 | Confident | 97 Ų | 97 | 46.7 Ų | 46.7 | 43% | 0.425 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 120.6 | 175.1 | -67.8 | -86.7 | 0 | 0 | 0 | 109.5 | D134 C202 F203 T220 | D134-F136 HydrophobicContact CB-CD2 4.14Å; D134-F136 HydrophobicContact CB-CE2 3.57Å; D134-F136 HydrophobicContact CB-CZ 4.36Å; F136-C202 CarbonylContact O-C 3.58Å; F136-C202 WeakPolarHBondContact O-CA 3.22Å; F136-F203 HydrophobicContact CB-CB 4.32Å; F136-F203 PolarHBondContact N-O 2.9Å; F136-F203 PolarHBondContact O-N 2.9Å; F136-T220 WeakPolarHBondContact CA-O 3.16Å; F136-T220 HydrophobicContact CD1-CG2 4.3Å; F136-T220 WeakPolarHBondContact CD1-OG1 3.45Å; F136-T220 HydrophobicContact CE1-CG2 4.38Å; F136-T220 WeakPolarHBondContact CE1-OG1 3.45Å |
| 137 | I | 87.1 | Confident | 84.2 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.015 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 119.9 | 179 | -55 | 170.5 | 0 | 0 | 0 | 107.7 | K97 L99 L135 T200 Q201 I219 T220 L221 V222 | K97-I137 VanDerWaalsContact CE-CD1 3.42Å; L99-I137 HydrophobicContact CD1-CD1 4.38Å; L135-I137 HydrophobicContact CD2-CD1 3.91Å; L135-I137 HydrophobicContact CD2-CG1 4.27Å; L135-I137 HydrophobicContact CG-CD1 4.25Å; L135-I137 HydrophobicContact CG-CG1 4.06Å; I137-T200 HydrophobicContact CG2-CG2 3.72Å; I137-Q201 WeakPolarHBondContact CA-O 3.37Å; I137-I219 HydrophobicContact CD1-CG2 4.27Å; I137-T220 PolarHBondContact N-O 2.81Å; I137-L221 HydrophobicContact CB-CD1 3.68Å; I137-L221 HydrophobicContact CG2-CD1 3.48Å; I137-L221 VanDerWaalsContact CG2-CD1 3.48Å; I137-L221 CarbonylContact O-C 3.58Å; I137-L221 WeakPolarHBondContact O-CA 3.43Å; I137-V222 PolarHBondContact O-N 3.35Å |
| 138 | Q | 87.1 | Confident | 84.1 | Confident | 42 Ų | 42 | 49 Ų | 49 | 20% | 0.196 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 134 | 169.8 | -171.2 | 174.7 | 11.4 | 0 | 0 | 109.2 | T200 Q201 V222 | Q138-T200 CarbonylContact O-C 3.44Å; Q138-T200 WeakPolarHBondContact O-CA 3.34Å; Q138-Q201 PolarHBondContact N-O 2.87Å; Q138-Q201 PolarHBondContact O-N 3.27Å; Q138-V222 CarbonylContact C-O 3.5Å; Q138-V222 WeakPolarHBondContact CA-O 3.39Å |
| 139 | S | 88.6 | Confident | 83.9 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.007 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 160.4 | 179.6 | 54 | 0 | 0 | 0 | 0 | 111.3 | L197 V222 I223 N224 | S139-L197 WeakPolarHBondContact OG-CD2 3.49Å; S139-V222 PolarHBondContact N-O 2.71Å; S139-I223 CarbonylContact O-C 3.55Å; S139-I223 WeakPolarHBondContact O-CA 3.21Å; S139-N224 PolarHBondContact O-N 2.87Å |
| 140 | E | 88.2 | Confident | 83.7 | Confident | 50 Ų | 50 | 43 Ų | 43 | 23% | 0.234 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 134.9 | 170.6 | -69.9 | 177 | -170 | 0 | 0 | 109 | T142 G198 K199 N224 | E140-T142 PolarHBondContact O-N 2.76Å; E140-G198 PolarHBondContact N-O 3.05Å; E140-G198 PolarHBondContact O-N 2.79Å; E140-G198 VanDerWaalsContact O-O 3.14Å; E140-K199 IonicContact OE1-NZ 2.81Å; E140-K199 PolarHBondContact OE1-NZ 2.98Å; E140-K199 WeakPolarHBondContact OE2-CD 3.28Å; E140-K199 WeakPolarHBondContact OE2-CE 3.39Å; E140-K199 IonicContact OE2-NZ 2.75Å; E140-K199 PolarHBondContact OE2-NZ 2.88Å; E140-N224 HydrophobicContact CG-CB 4.22Å |
| 141 | L | 87.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 119.6 | 174.4 | -156.7 | 86.4 | 0 | 0 | 0 | 109.2 | M1 I103 C105 I195 L197 I223 N224 L225 Q228 | M1-L141 HydrophobicContact CE-CD2 3.55Å; M1-L141 HydrophobicContact CE-CG 4.43Å; M1-L141 HydrophobicContact SD-CD2 4.08Å; I103-L141 HydrophobicContact CD1-CD1 4.22Å; C105-L141 VanDerWaalsContact SG-CD2 3.59Å; L141-I195 HydrophobicContact CD1-CG2 3.56Å; L141-I195 HydrophobicContact CD2-CG2 3.47Å; L141-I195 VanDerWaalsContact CD2-CG2 3.47Å; L141-I195 HydrophobicContact CG-CG2 3.33Å; L141-L197 HydrophobicContact CD1-CD2 4.39Å; L141-I223 HydrophobicContact CB-CG2 3.81Å; L141-I223 HydrophobicContact CD1-CG2 3.73Å; L141-I223 HydrophobicContact CG-CG2 4.37Å; L141-N224 PolarHBondContact N-O 2.78Å; L141-L225 HydrophobicContact CD2-CD2 3.83Å; L141-Q228 PolarHBondContact O-NE2 2.81Å |
| 142 | T | 87.3 | Confident | 82.6 | Confident | 29 Ų | 29 | 44.9 Ų | 44.9 | 18% | 0.178 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.3 | -178.6 | 47.6 | 0 | 0 | 0 | 0 | 111.9 | E140 I195 H196 G198 | E140-T142 PolarHBondContact O-N 2.76Å; T142-I195 WeakPolarHBondContact O-CA 3.3Å; T142-H196 PolarHBondContact N-O 3.43Å; T142-H196 PolarHBondContact O-CE1 3.15Å; T142-H196 PolarHBondContact O-N 2.89Å; T142-H196 PolarHBondContact O-ND1 3.42Å; T142-H196 VanDerWaalsContact O-ND1 3.1Å; T142-H196 PolarHBondContact OG1-CD2 2.95Å; T142-H196 PolarHBondContact OG1-CE1 3.39Å; T142-H196 VanDerWaalsContact OG1-CE1 3.27Å; T142-H196 PolarHBondContact OG1-NE2 3.29Å; T142-H196 PolarHBondContact OG1-O 3.22Å; T142-G198 PolarHBondContact OG1-N 3.42Å |
| 143 | I | 86.9 | Confident | 82 | Confident | 28 Ų | 28 | 55.9 Ų | 55.9 | 14% | 0.144 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 126.3 | 171.8 | -60 | 169.4 | 0 | 0 | 0 | 108 | M1 L107 L193 T194 Q228 L230 | M1-I143 HydrophobicContact CE-CD1 3.55Å; M1-I143 HydrophobicContact CE-CG1 3.3Å; M1-I143 HydrophobicContact CG-CD1 4.27Å; M1-I143 HydrophobicContact SD-CD1 4.13Å; M1-I143 HydrophobicContact SD-CG1 4.27Å; L107-I143 HydrophobicContact CD1-CD1 4.48Å; L107-I143 HydrophobicContact CD2-CD1 3.66Å; I143-L193 HydrophobicContact CG2-CD1 3.33Å; I143-L193 HydrophobicContact CG2-CG 4.27Å; I143-T194 WeakPolarHBondContact CA-O 3.11Å; I143-Q228 HydrophobicContact CD1-CB 4.06Å; I143-L230 HydrophobicContact CD1-CD2 4Å; I143-L230 HydrophobicContact CG2-CD2 4.03Å |
| 144 | K | 87.9 | Confident | 81.7 | Confident | 81 Ų | 81 | 56.6 Ų | 56.6 | 35% | 0.352 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 127.1 | 164.7 | -171.8 | -177.6 | 176.2 | -165.8 | 0 | 107.6 | L193 T194 | K144-L193 WeakPolarHBondContact O-CA 3.43Å; K144-T194 PolarHBondContact N-O 3.47Å; K144-T194 PolarHBondContact O-N 2.81Å |
| 145 | Q | 86.4 | Confident | 81.4 | Confident | 40 Ų | 40 | 58.9 Ų | 58.9 | 19% | 0.187 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 125.7 | 174.9 | -172.2 | 176.3 | 0.6 | 0 | 0 | 109.5 | Q147 N192 L193 L231 | Q145-Q147 VanDerWaalsContact CG-O 3.24Å; Q145-Q147 WeakPolarHBondContact CG-O 3.01Å; Q145-Q147 PolarHBondContact NE2-O 3.44Å; Q145-N192 CarbonylContact C-O 3.36Å; Q145-N192 VanDerWaalsContact CA-O 3.25Å; Q145-N192 WeakPolarHBondContact CA-O 3.34Å; Q145-L193 HydrophobicContact CB-CD1 3.85Å; Q145-L193 HydrophobicContact CG-CD1 3.93Å; Q145-L231 PolarHBondContact NE2-O 2.81Å |
| 146 | T | 85.1 | Confident | 81 | Confident | 85 Ų | 85 | 63.6 Ų | 63.6 | 52% | 0.521 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -97 | -31.4 | 180 | 64.5 | 0 | 0 | 0 | 0 | 112.9 | N192 | T146-N192 PolarHBondContact N-O 2.87Å; T146-N192 PolarHBondContact N-OD1 3.39Å; T146-N192 WeakPolarHBondContact OG1-CA 3.35Å; T146-N192 PolarHBondContact OG1-OD1 3.1Å; T146-N192 VanDerWaalsContact OG1-OD1 3.06Å |
| 147 | Q | 83.3 | Confident | 80.8 | Confident | 136 Ų | 136 | 64.3 Ų | 64.3 | 64% | 0.636 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -137.5 | 153 | -179 | -57.6 | -178.9 | -6.9 | 0 | 0 | 111 | Q145 N192 | Q145-Q147 VanDerWaalsContact CG-O 3.24Å; Q145-Q147 WeakPolarHBondContact CG-O 3.01Å; Q145-Q147 PolarHBondContact NE2-O 3.44Å; Q147-N192 WeakPolarHBondContact CA-OD1 3.34Å; Q147-N192 WeakPolarHBondContact CB-OD1 3.39Å; Q147-N192 PolarHBondContact N-OD1 3.13Å; Q147-N192 PolarHBondContact O-ND2 3.27Å; Q147-N192 PolarHBondContact O-OD1 2.89Å; Q147-N192 VanDerWaalsContact O-OD1 3.12Å |
| 148 | S | 80.2 | Confident | 80.4 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 40% | 0.399 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 144.2 | 178.1 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | L231 | S148-L231 CarbonylContact C-O 3.42Å; S148-L231 VanDerWaalsContact CA-O 3.26Å; S148-L231 WeakPolarHBondContact CA-O 3.45Å |
| 149 | I | 77.1 | Confident | 79.9 | Confident | 1 Ų | 1 | 68.7 Ų | 68.7 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 138.7 | -178.7 | -64.5 | 154.8 | 0 | 0 | 0 | 109.8 | F114 L151 M154 L193 L231 F232 E233 | F114-I149 HydrophobicContact CZ-CG2 4.3Å; I149-L151 PolarHBondContact O-N 3.36Å; I149-M154 HydrophobicContact CG2-CE 3.73Å; I149-M154 HydrophobicContact CG2-SD 4.46Å; I149-L193 HydrophobicContact CD1-CD1 4.02Å; I149-L193 HydrophobicContact CD1-CD2 3.6Å; I149-L193 HydrophobicContact CD1-CG 4.29Å; I149-L231 PolarHBondContact N-O 3.03Å; I149-F232 HydrophobicContact CB-CD1 4.19Å; I149-F232 HydrophobicContact CB-CE1 4.45Å; I149-F232 HydrophobicContact CG2-CD1 4.39Å; I149-F232 HydrophobicContact CG2-CE1 4.38Å; I149-F232 CarbonylContact O-C 3.57Å; I149-F232 VanDerWaalsContact O-CA 3.3Å; I149-F232 WeakPolarHBondContact O-CA 3.25Å; I149-E233 PolarHBondContact O-N 3.15Å |
| 150 | K | 73.9 | Confident | 79.6 | Confident | 75 Ų | 75 | 75.2 Ų | 75.2 | 33% | 0.326 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 116.7 | 171.7 | -63.8 | 172.3 | -170.8 | 158.6 | 0 | 109.8 | H152 E158 | K150-H152 VanDerWaalsContact C-N 3.34Å; K150-E158 IonicContact NZ-OE1 3.35Å; K150-E158 PolarHBondContact NZ-OE1 2.93Å; K150-E158 IonicContact NZ-OE2 3.67Å; K150-E158 PolarHBondContact NZ-OE2 3.23Å |
| 151 | L | 66.2 | Low | 79.3 | Confident | 35 Ų | 35 | 80.1 Ų | 80.1 | 18% | 0.183 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -67.4 | -36.8 | 178.4 | -169.3 | 76.3 | 0 | 0 | 0 | 112.1 | F114 I149 F232 | F114-L151 WeakPolarHBondContact CD2-O 3.5Å; I149-L151 PolarHBondContact O-N 3.36Å; L151-F232 HydrophobicContact CB-CB 4.36Å; L151-F232 HydrophobicContact CB-CD1 4.05Å; L151-F232 HydrophobicContact CB-CG 4.38Å; L151-F232 HydrophobicContact CD1-CB 4.42Å; L151-F232 HydrophobicContact CD1-CD1 3.46Å; L151-F232 VanDerWaalsContact CD1-CD1 3.46Å; L151-F232 HydrophobicContact CD1-CD2 4.04Å; L151-F232 HydrophobicContact CD1-CE1 3.56Å; L151-F232 HydrophobicContact CD1-CE2 4.12Å; L151-F232 HydrophobicContact CD1-CG 3.7Å; L151-F232 HydrophobicContact CD1-CZ 3.89Å; L151-F232 HydrophobicContact CG-CD1 4.39Å |
| 152 | H | 66.3 | Low | 79 | Confident | 107 Ų | 107 | 81.5 Ų | 81.5 | 50% | 0.495 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -124.9 | 151 | -178.7 | -61.1 | -49.1 | 0 | 0 | 0 | 110.2 | K150 M154 | K150-H152 VanDerWaalsContact C-N 3.34Å; H152-M154 VanDerWaalsContact C-N 3.3Å; H152-M154 PolarHBondContact O-N 3.46Å |
| 153 | W | 66.6 | Low | 78.6 | Confident | 238 Ų | 238 | 84.1 Ų | 84.1 | 90% | 0.902 | 40% | 0.402 | S | S | * | . | trans | 63.7 | 30.7 | 176.4 | -47 | 95.8 | 0 | 0 | 0 | 114.4 | D155 | W153-D155 PolarHBondContact O-N 3.06Š| ||
| 154 | M | 73.3 | Confident | 78.4 | Confident | 33 Ų | 33 | 89 Ų | 89 | 16% | 0.163 | 42% | 0.418 | C | S | . | . | trans | -69.7 | 120.8 | 168.8 | -171.9 | 166.4 | -106.1 | 0 | 0 | 108.5 | I149 H152 E158 Y162 | I149-M154 HydrophobicContact CG2-CE 3.73Å; I149-M154 HydrophobicContact CG2-SD 4.46Å; H152-M154 VanDerWaalsContact C-N 3.3Å; H152-M154 PolarHBondContact O-N 3.46Å; M154-E158 HydrophobicContact CE-CB 4.39Å; M154-E158 HydrophobicContact CG-CB 3.69Å; M154-E158 HydrophobicContact SD-CB 4.48Å; M154-Y162 HydrophobicContact CE-CD2 4.32Å; M154-Y162 HydrophobicContact CE-CE2 3.31Å; M154-Y162 HydrophobicContact SD-CD2 4.21Å; M154-Y162 HydrophobicContact SD-CE2 3.74Å | ||
| 155 | D | 78.7 | Confident | 77.8 | Confident | 98 Ų | 98 | 88 Ų | 88 | 52% | 0.524 | 42% | 0.421 | S | S | . | . | trans | -62.6 | 148.9 | -179.9 | -71.9 | -35.7 | 0 | 0 | 0 | 110.3 | W153 I157 E158 K159 | W153-D155 PolarHBondContact O-N 3.06Å; D155-I157 PolarHBondContact O-N 2.72Å; D155-I157 VanDerWaalsContact O-N 3.12Å; D155-E158 HydrophobicContact CB-CB 4.48Å; D155-E158 WeakPolarHBondContact O-CB 3.46Å; D155-E158 PolarHBondContact O-N 3.12Å; D155-K159 PolarHBondContact O-N 2.85Å | ||
| 156 | P | 77.9 | Confident | 77.3 | Confident | 100 Ų | 100 | 86.4 Ų | 86.4 | 65% | 0.649 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -53.4 | -36.6 | 177.6 | -24.7 | 32.9 | 0 | 0 | 0 | 112.5 | K159 E160 | P156-K159 WeakPolarHBondContact O-CB 3.24Å; P156-K159 PolarHBondContact O-N 2.72Å; P156-E160 PolarHBondContact O-N 3.41Å; P156-E160 VanDerWaalsContact O-N 3.08Å |
| 157 | I | 80.8 | Confident | 76.6 | Confident | 111 Ų | 111 | 82.9 Ų | 82.9 | 57% | 0.569 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -67.3 | -44.2 | 178.2 | -55.2 | 172.3 | 0 | 0 | 0 | 110.9 | D155 K159 E160 Y161 | D155-I157 PolarHBondContact O-N 2.72Å; D155-I157 VanDerWaalsContact O-N 3.12Å; I157-K159 PolarHBondContact O-N 3.45Å; I157-E160 PolarHBondContact O-N 2.87Å; I157-Y161 HydrophobicContact CG2-CE2 3.87Å; I157-Y161 WeakPolarHBondContact O-CD2 3.5Å; I157-Y161 PolarHBondContact O-N 3.47Å |
| 158 | E | 78.2 | Confident | 75.7 | Confident | 58 Ų | 58 | 80.9 Ų | 80.9 | 27% | 0.271 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.7 | -40.5 | 173.6 | -87.9 | -172.9 | 176.9 | 0 | 0 | 110.9 | K150 M154 D155 E160 Y161 Y162 | K150-E158 IonicContact NZ-OE1 3.35Å; K150-E158 PolarHBondContact NZ-OE1 2.93Å; K150-E158 IonicContact NZ-OE2 3.67Å; K150-E158 PolarHBondContact NZ-OE2 3.23Å; M154-E158 HydrophobicContact CE-CB 4.39Å; M154-E158 HydrophobicContact CG-CB 3.69Å; M154-E158 HydrophobicContact SD-CB 4.48Å; D155-E158 HydrophobicContact CB-CB 4.48Å; D155-E158 WeakPolarHBondContact O-CB 3.46Å; D155-E158 PolarHBondContact O-N 3.12Å; E158-E160 PolarHBondContact O-N 2.97Å; E158-Y161 PolarHBondContact O-N 3.31Å; E158-Y162 WeakPolarHBondContact O-CD2 3.45Å; E158-Y162 VanDerWaalsContact O-CE2 3.26Å; E158-Y162 WeakPolarHBondContact O-CE2 3.37Å |
| 159 | K | 78.5 | Confident | 74.5 | Confident | 79 Ų | 79 | 81.9 Ų | 81.9 | 34% | 0.343 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 178.6 | -161.7 | 177.1 | -175.4 | 171.8 | 0 | 112.4 | S115 L116 D155 P156 I157 Y161 Y162 M163 | S115-K159 WeakPolarHBondContact O-CE 3.42Å; S115-K159 PolarHBondContact O-NZ 3.03Å; L116-K159 HydrophobicContact CD1-CG 3.64Å; D155-K159 PolarHBondContact O-N 2.85Å; P156-K159 WeakPolarHBondContact O-CB 3.24Å; P156-K159 PolarHBondContact O-N 2.72Å; I157-K159 PolarHBondContact O-N 3.45Å; K159-Y161 VanDerWaalsContact C-N 3.28Å; K159-Y161 PolarHBondContact O-N 3.21Å; K159-Y162 PolarHBondContact O-N 2.82Å; K159-M163 PolarHBondContact O-N 2.87Å |
| 160 | E | 81.5 | Confident | 73.5 | Confident | 139 Ų | 139 | 87.9 Ų | 87.9 | 65% | 0.65 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.3 | -32.7 | 178.2 | -77.7 | -176.5 | 176 | 0 | 0 | 112.9 | P156 I157 E158 Y162 M163 R164 | P156-E160 PolarHBondContact O-N 3.41Å; P156-E160 VanDerWaalsContact O-N 3.08Å; I157-E160 PolarHBondContact O-N 2.87Å; E158-E160 PolarHBondContact O-N 2.97Å; E160-Y162 PolarHBondContact O-N 2.87Å; E160-M163 CarbonylContact O-C 3.57Å; E160-M163 PolarHBondContact O-N 2.93Å; E160-R164 PolarHBondContact O-N 2.02Å |
| 161 | Y | 82.4 | Confident | 72.3 | Confident | 153 Ų | 153 | 87.1 Ų | 87.1 | 60% | 0.6 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.8 | -32.9 | 177.2 | -75.6 | -70.7 | 0 | 0 | 0 | 113.1 | I157 E158 K159 R164 | I157-Y161 HydrophobicContact CG2-CE2 3.87Å; I157-Y161 WeakPolarHBondContact O-CD2 3.5Å; I157-Y161 PolarHBondContact O-N 3.47Å; E158-Y161 PolarHBondContact O-N 3.31Å; K159-Y161 VanDerWaalsContact C-N 3.28Å; K159-Y161 PolarHBondContact O-N 3.21Å; Y161-R164 WeakPolarHBondContact O-CB 3.29Å |
| 162 | Y | 80.3 | Confident | 71.5 | Confident | 29 Ų | 29 | 86.1 Ų | 86.1 | 11% | 0.114 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -76.2 | -26.1 | 175.8 | -59.5 | -75.2 | 0 | 0 | 0 | 112.9 | L116 T119 M154 E158 K159 E160 N192 L193 | L116-Y162 HydrophobicContact CD1-CD2 3.99Å; L116-Y162 HydrophobicContact CD1-CG 4.23Å; L116-Y162 HydrophobicContact CD2-CD1 4.43Å; L116-Y162 HydrophobicContact CD2-CD2 4.22Å; L116-Y162 HydrophobicContact CD2-CG 4.05Å; T119-Y162 PolarHBondContact N-O 3.07Å; T119-Y162 PolarHBondContact OG1-O 3.48Å; M154-Y162 HydrophobicContact CE-CD2 4.32Å; M154-Y162 HydrophobicContact CE-CE2 3.31Å; M154-Y162 HydrophobicContact SD-CD2 4.21Å; M154-Y162 HydrophobicContact SD-CE2 3.74Å; E158-Y162 WeakPolarHBondContact O-CD2 3.45Å; E158-Y162 VanDerWaalsContact O-CE2 3.26Å; E158-Y162 WeakPolarHBondContact O-CE2 3.37Å; K159-Y162 PolarHBondContact O-N 2.82Å; E160-Y162 PolarHBondContact O-N 2.87Å; Y162-N192 HydrophobicContact CE1-CB 4.34Å; Y162-N192 PolarHBondContact OH-ND2 2.87Å; Y162-L193 HydrophobicContact CD1-CB 3.77Å; Y162-L193 HydrophobicContact CD1-CD2 4.14Å; Y162-L193 HydrophobicContact CE1-CB 3.72Å; Y162-L193 HydrophobicContact CE1-CD2 4.38Å |
| 163 | M | 78.9 | Confident | 70.5 | Confident | 83 Ų | 83 | 91.4 Ų | 91.4 | 41% | 0.409 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -92 | 1 | 177.4 | -64.6 | -173.3 | 65.9 | 0 | 0 | 113.1 | N117 T119 K159 E160 | N117-M163 HydrophobicContact CB-CE 3.81Å; N117-M163 HydrophobicContact CB-CG 3.9Å; N117-M163 HydrophobicContact CB-SD 3.91Å; N117-M163 WeakPolarHBondContact O-CG 3.44Å; T119-M163 WeakPolarHBondContact OG1-CA 3.4Å; T119-M163 PolarHBondContact OG1-O 2.96Å; K159-M163 PolarHBondContact O-N 2.87Å; E160-M163 CarbonylContact O-C 3.57Å; E160-M163 PolarHBondContact O-N 2.93Å |
| 164 | R | 81.9 | Confident | 69.2 | Low | 130 Ų | 130 | 89.8 Ų | 89.8 | 49% | 0.491 | 42% | 0.424 | S | S | . | . | trans | -59 | 130.2 | -178.8 | -170.4 | 179.5 | -179.9 | -146.5 | -4.9 | 109.5 | E160 Y161 D187 R191 | E160-R164 PolarHBondContact O-N 2.02Å; Y161-R164 WeakPolarHBondContact O-CB 3.29Å; R164-D187 IonicContact CZ-OD1 3.27Å; R164-D187 IonicContact NH1-OD1 3.63Å; R164-D187 PolarHBondContact NH1-OD1 3.14Å; R164-D187 IonicContact NH1-OD2 3.38Å; R164-R191 PolarHBondContact O-NH1 3.26Å; R164-R191 PolarHBondContact O-NH2 2.99Å | ||
| 165 | P | 76.7 | Confident | 67.9 | Low | 62 Ų | 62 | 92.4 Ų | 92.4 | 40% | 0.403 | 44% | 0.439 | S | S | . | . | trans | -60.1 | 149.9 | 178.3 | 23.8 | -33.1 | 0 | 0 | 0 | 110.7 | R191 | P165-R191 PolarHBondContact O-NH2 2.86Š| ||
| 166 | V | 76.2 | Confident | 66.9 | Low | 6 Ų | 6 | 91.5 Ų | 91.5 | 4% | 0.036 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -71 | -37 | -179.7 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | P102 T119 G120 L121 A184 V188 | P102-V166 HydrophobicContact CB-CB 4.32Å; P102-V166 HydrophobicContact CB-CG2 4.25Å; P102-V166 HydrophobicContact CG-CB 4.46Å; T119-V166 HydrophobicContact CG2-CG2 3.89Å; G120-V166 WeakPolarHBondContact O-CG2 3.24Å; L121-V166 HydrophobicContact CB-CG1 4.25Å; L121-V166 HydrophobicContact CB-CG2 4.44Å; L121-V166 HydrophobicContact CD1-CG1 4.03Å; L121-V166 HydrophobicContact CD2-CG1 4.19Å; L121-V166 HydrophobicContact CG-CG1 4.38Å; V166-A184 HydrophobicContact CG1-CB 3.98Å; V166-V188 HydrophobicContact CB-CG2 4.15Å; V166-V188 HydrophobicContact CG1-CG2 3.47Å; V166-V188 VanDerWaalsContact CG1-CG2 3.47Å; V166-V188 HydrophobicContact CG2-CG2 3.77Å |
| 167 | M | 69.2 | Low | 66 | Low | 11 Ų | 11 | 88.7 Ų | 88.7 | 5% | 0.054 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -120.8 | 131.5 | 176.7 | -80.9 | -178.6 | -88.5 | 0 | 0 | 110.3 | F12 P102 M169 V172 L181 A184 | F12-M167 HydrophobicContact CD2-CE 3.57Å; F12-M167 HydrophobicContact CD2-SD 4.14Å; F12-M167 HydrophobicContact CE2-CE 3.43Å; F12-M167 VanDerWaalsContact CE2-CE 3.43Å; F12-M167 HydrophobicContact CE2-SD 3.6Å; F12-M167 VanDerWaalsContact CE2-SD 3.6Å; F12-M167 HydrophobicContact CZ-SD 4.39Å; P102-M167 HydrophobicContact CG-CE 4.27Å; M167-M169 PolarHBondContact O-N 2.81Å; M167-V172 HydrophobicContact CB-CG2 4.32Å; M167-V172 HydrophobicContact SD-CG2 4.44Å; M167-L181 HydrophobicContact CE-CD2 4.29Å; M167-L181 HydrophobicContact SD-CD2 4.16Å; M167-A184 HydrophobicContact CG-CB 3.66Å; M167-A184 HydrophobicContact SD-CB 4.41Å |
| 168 | N | 64.3 | Low | 65 | Low | 93 Ų | 93 | 87.6 Ų | 87.6 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | trans | -78.7 | 109 | 169.4 | -173.8 | -9 | 0 | 0 | 0 | 108.4 | N170 T171 V172 | N168-N170 PolarHBondContact O-N 3.25Å; N168-N170 PolarHBondContact OD1-N 3.14Å; N168-T171 HydrophobicContact CB-CG2 4.49Å; N168-T171 PolarHBondContact O-N 2.96Å; N168-T171 PolarHBondContact O-OG1 2.89Å; N168-V172 PolarHBondContact O-N 3.18Å | ||
| 169 | M | 55.6 | Low | 64.1 | Low | 78 Ų | 78 | 86.5 Ų | 86.5 | 38% | 0.384 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -55.7 | -26.8 | -178.2 | -73.4 | -160.5 | 178.7 | 0 | 0 | 113.2 | Q10 M167 T171 | Q10-M169 HydrophobicContact CG-CE 3.21Å; Q10-M169 HydrophobicContact CG-CG 4.5Å; M167-M169 PolarHBondContact O-N 2.81Å; M169-T171 VanDerWaalsContact C-N 3.32Å; M169-T171 PolarHBondContact O-N 3.25Å |
| 170 | N | 55.1 | Low | 63.7 | Low | 127 Ų | 127 | 83.2 Ų | 83.2 | 68% | 0.679 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -70.7 | -27.1 | 179 | -65.8 | -15.2 | 0 | 0 | 0 | 112.7 | N168 Y174 | N168-N170 PolarHBondContact O-N 3.25Å; N168-N170 PolarHBondContact OD1-N 3.14Å; N170-Y174 WeakPolarHBondContact O-CD2 3.29Å |
| 171 | T | 48.9 | Very low | 63.2 | Low | 60 Ų | 60 | 76.8 Ų | 76.8 | 37% | 0.368 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -90.6 | -24.4 | -179.5 | 53.2 | 0 | 0 | 0 | 0 | 113.2 | N168 M169 R173 Y174 N175 N180 | N168-T171 HydrophobicContact CB-CG2 4.49Å; N168-T171 PolarHBondContact O-N 2.96Å; N168-T171 PolarHBondContact O-OG1 2.89Å; M169-T171 VanDerWaalsContact C-N 3.32Å; M169-T171 PolarHBondContact O-N 3.25Å; T171-R173 PolarHBondContact O-N 3.04Å; T171-Y174 PolarHBondContact O-N 3.41Å; T171-N175 PolarHBondContact O-N 2.96Å; T171-N180 PolarHBondContact O-ND2 3.19Å; T171-N180 VanDerWaalsContact O-ND2 3.1Å |
| 172 | V | 49.2 | Very low | 62.7 | Low | 14 Ų | 14 | 73.4 Ų | 73.4 | 9% | 0.085 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.8 | -33.9 | 179.2 | -179 | 0 | 0 | 0 | 0 | 111.9 | F12 M32 M167 N168 Y174 L177 N180 | F12-V172 HydrophobicContact CE1-CG1 4.39Å; F12-V172 HydrophobicContact CZ-CG1 4.03Å; M32-V172 HydrophobicContact SD-CG1 4.04Å; M167-V172 HydrophobicContact CB-CG2 4.32Å; M167-V172 HydrophobicContact SD-CG2 4.44Å; N168-V172 PolarHBondContact O-N 3.18Å; V172-Y174 VanDerWaalsContact C-N 3.34Å; V172-Y174 PolarHBondContact O-N 2.64Å; V172-L177 HydrophobicContact CG1-CG 4.48Å; V172-N180 WeakPolarHBondContact CA-ND2 3.4Å |
| 173 | R | 46.9 | Very low | 62.5 | Low | 217 Ų | 217 | 76.7 Ų | 76.7 | 82% | 0.819 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -24.3 | 179.4 | -115 | -176.9 | -173.3 | -175.8 | 2.5 | 115 | T171 | T171-R173 PolarHBondContact O-N 3.04Š|
| 174 | Y | 39.6 | Very low | 62.4 | Low | 204 Ų | 204 | 73 Ų | 73 | 80% | 0.8 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.8 | -21.5 | -167.7 | -75.1 | -79.3 | 0 | 0 | 0 | 114.7 | N170 T171 V172 | N170-Y174 WeakPolarHBondContact O-CD2 3.29Å; T171-Y174 PolarHBondContact O-N 3.41Å; V172-Y174 VanDerWaalsContact C-N 3.34Å; V172-Y174 PolarHBondContact O-N 2.64Å |
| 175 | N | 46 | Very low | 62.2 | Low | 89 Ų | 89 | 68.8 Ų | 68.8 | 48% | 0.476 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -109.2 | 152.9 | 180 | -88.7 | -13.6 | 0 | 0 | 0 | 110.9 | T171 L177 N180 | T171-N175 PolarHBondContact O-N 2.96Å; N175-L177 PolarHBondContact O-N 2.86Å; N175-L177 VanDerWaalsContact O-N 3.15Å; N175-N180 VanDerWaalsContact CB-ND2 3.28Å; N175-N180 WeakPolarHBondContact CB-ND2 2.89Å; N175-N180 WeakPolarHBondContact CB-OD1 3.49Å; N175-N180 PolarHBondContact O-ND2 3.43Å |
| 176 | S | 56.1 | Low | 62.4 | Low | 78 Ų | 78 | 74 Ų | 74 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | trans | -52.4 | 126.6 | 174.5 | 70.3 | 0 | 0 | 0 | 0 | 108.9 | I178 S179 N180 | S176-I178 PolarHBondContact O-N 3.46Å; S176-S179 PolarHBondContact O-N 2.95Å; S176-S179 PolarHBondContact O-OG 2.92Å; S176-S179 WeakPolarHBondContact OG-CB 3.43Å; S176-S179 PolarHBondContact OG-OG 3.38Å; S176-N180 PolarHBondContact O-N 3.37Å | ||
| 177 | L | 60.6 | Low | 62.6 | Low | 42 Ų | 42 | 76.1 Ų | 76.1 | 22% | 0.22 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -48.4 | -36.6 | -175.1 | -116.6 | 126.7 | 0 | 0 | 0 | 112.6 | F12 L28 V172 N175 N180 L181 | F12-L177 HydrophobicContact CD1-CD2 3.61Å; F12-L177 HydrophobicContact CE1-CD2 3.6Å; F12-L177 HydrophobicContact CG-CD2 4.49Å; F12-L177 HydrophobicContact CZ-CD2 4.47Å; L28-L177 HydrophobicContact CD1-CD2 4.14Å; L28-L177 HydrophobicContact CD2-CB 4.37Å; L28-L177 HydrophobicContact CD2-CD1 3.42Å; L28-L177 VanDerWaalsContact CD2-CD1 3.42Å; L28-L177 HydrophobicContact CD2-CD2 3.61Å; L28-L177 HydrophobicContact CD2-CG 3.96Å; L28-L177 HydrophobicContact CG-CD2 4.46Å; V172-L177 HydrophobicContact CG1-CG 4.48Å; N175-L177 PolarHBondContact O-N 2.86Å; N175-L177 VanDerWaalsContact O-N 3.15Å; L177-N180 PolarHBondContact O-N 3.3Å; L177-L181 WeakPolarHBondContact O-CG 3.25Å; L177-L181 PolarHBondContact O-N 3.49Å |
| 178 | I | 58.7 | Low | 63.1 | Low | 87 Ų | 87 | 76.1 Ų | 76.1 | 45% | 0.446 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 175.9 | -59.5 | 169.6 | 0 | 0 | 0 | 112.1 | W14 S176 N180 L181 N182 | W14-I178 HydrophobicContact CH2-CD1 3.82Å; W14-I178 HydrophobicContact CH2-CG1 3.58Å; W14-I178 HydrophobicContact CZ3-CD1 4.43Å; W14-I178 HydrophobicContact CZ3-CG1 3.71Å; S176-I178 PolarHBondContact O-N 3.46Å; I178-N180 VanDerWaalsContact C-N 3.3Å; I178-N180 PolarHBondContact O-N 3.06Å; I178-L181 PolarHBondContact O-N 3.32Å; I178-N182 PolarHBondContact O-N 3.42Å; I178-N182 VanDerWaalsContact O-N 3.15Å |
| 179 | S | 60.6 | Low | 63.9 | Low | 35 Ų | 35 | 77.2 Ų | 77.2 | 25% | 0.245 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.5 | -37.3 | -179.7 | 69 | 0 | 0 | 0 | 0 | 111.8 | S176 N182 N183 | S176-S179 PolarHBondContact O-N 2.95Å; S176-S179 PolarHBondContact O-OG 2.92Å; S176-S179 WeakPolarHBondContact OG-CB 3.43Å; S176-S179 PolarHBondContact OG-OG 3.38Å; S179-N182 PolarHBondContact O-N 2.86Å; S179-N183 VanDerWaalsContact O-CG 3.25Å; S179-N183 PolarHBondContact O-N 3.25Å; S179-N183 VanDerWaalsContact O-N 3.09Å; S179-N183 PolarHBondContact O-ND2 2.94Å |
| 180 | N | 68.2 | Low | 65.2 | Low | 11 Ų | 11 | 80.4 Ų | 80.4 | 6% | 0.059 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.6 | -37 | 177.3 | -72.5 | -38.3 | 0 | 0 | 0 | 112.4 | T171 V172 N175 S176 L177 I178 N183 A184 | T171-N180 PolarHBondContact O-ND2 3.19Å; T171-N180 VanDerWaalsContact O-ND2 3.1Å; V172-N180 WeakPolarHBondContact CA-ND2 3.4Å; N175-N180 VanDerWaalsContact CB-ND2 3.28Å; N175-N180 WeakPolarHBondContact CB-ND2 2.89Å; N175-N180 WeakPolarHBondContact CB-OD1 3.49Å; N175-N180 PolarHBondContact O-ND2 3.43Å; S176-N180 PolarHBondContact O-N 3.37Å; L177-N180 PolarHBondContact O-N 3.3Å; I178-N180 VanDerWaalsContact C-N 3.3Å; I178-N180 PolarHBondContact O-N 3.06Å; N180-N183 PolarHBondContact O-N 3.1Å; N180-A184 WeakPolarHBondContact O-CB 3.4Å; N180-A184 PolarHBondContact O-N 3.03Å |
| 181 | L | 71.6 | Confident | 66.6 | Low | 4 Ų | 4 | 75.5 Ų | 75.5 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.9 | -43.7 | 175.8 | -76.9 | 167.9 | 0 | 0 | 0 | 112.3 | F100 M167 L177 I178 N183 A184 L185 | F100-L181 HydrophobicContact CB-CD2 4.07Å; F100-L181 HydrophobicContact CD1-CD2 3.75Å; F100-L181 HydrophobicContact CD2-CD1 4.04Å; F100-L181 HydrophobicContact CD2-CD2 3.54Å; F100-L181 HydrophobicContact CD2-CG 4.39Å; F100-L181 HydrophobicContact CE1-CD2 3.95Å; F100-L181 HydrophobicContact CE2-CB 4.48Å; F100-L181 HydrophobicContact CE2-CD1 3.7Å; F100-L181 HydrophobicContact CE2-CD2 3.72Å; F100-L181 HydrophobicContact CE2-CG 4.18Å; F100-L181 HydrophobicContact CG-CD2 3.52Å; F100-L181 HydrophobicContact CZ-CB 4.25Å; F100-L181 HydrophobicContact CZ-CD1 4.29Å; F100-L181 HydrophobicContact CZ-CD2 3.93Å; F100-L181 HydrophobicContact CZ-CG 4.39Å; M167-L181 HydrophobicContact CE-CD2 4.29Å; M167-L181 HydrophobicContact SD-CD2 4.16Å; L177-L181 WeakPolarHBondContact O-CG 3.25Å; L177-L181 PolarHBondContact O-N 3.49Å; I178-L181 PolarHBondContact O-N 3.32Å; L181-N183 VanDerWaalsContact C-N 3.34Å; L181-N183 PolarHBondContact O-N 3.28Å; L181-A184 PolarHBondContact O-N 2.83Å; L181-L185 PolarHBondContact O-N 2.9Å |
| 182 | N | 72 | Confident | 68.3 | Low | 82 Ų | 82 | 74 Ų | 74 | 44% | 0.439 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.8 | -45.4 | 175.8 | -74.6 | -13.7 | 0 | 0 | 0 | 110.9 | I178 S179 A184 L185 Y186 | I178-N182 PolarHBondContact O-N 3.42Å; I178-N182 VanDerWaalsContact O-N 3.15Å; S179-N182 PolarHBondContact O-N 2.86Å; N182-A184 VanDerWaalsContact C-N 3.31Å; N182-A184 PolarHBondContact O-N 3.26Å; N182-L185 WeakPolarHBondContact O-CB 3.29Å; N182-L185 PolarHBondContact O-N 2.79Å; N182-Y186 WeakPolarHBondContact O-CD2 3.01Å; N182-Y186 PolarHBondContact O-N 2.84Å |
| 183 | N | 76.7 | Confident | 70 | Confident | 97 Ų | 97 | 73.4 Ų | 73.4 | 52% | 0.519 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.9 | -39 | 176.9 | -70.2 | -17.9 | 0 | 0 | 0 | 112.2 | S179 N180 L181 Y186 D187 | S179-N183 VanDerWaalsContact O-CG 3.25Å; S179-N183 PolarHBondContact O-N 3.25Å; S179-N183 VanDerWaalsContact O-N 3.09Å; S179-N183 PolarHBondContact O-ND2 2.94Å; N180-N183 PolarHBondContact O-N 3.1Å; L181-N183 VanDerWaalsContact C-N 3.34Å; L181-N183 PolarHBondContact O-N 3.28Å; N183-Y186 PolarHBondContact O-N 3.13Å; N183-D187 WeakPolarHBondContact O-CB 3.36Å; N183-D187 PolarHBondContact O-N 3.33Å |
| 184 | A | 76.4 | Confident | 71.9 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V166 M167 N180 L181 N182 D187 V188 | V166-A184 HydrophobicContact CG1-CB 3.98Å; M167-A184 HydrophobicContact CG-CB 3.66Å; M167-A184 HydrophobicContact SD-CB 4.41Å; N180-A184 WeakPolarHBondContact O-CB 3.4Å; N180-A184 PolarHBondContact O-N 3.03Å; L181-A184 PolarHBondContact O-N 2.83Å; N182-A184 VanDerWaalsContact C-N 3.31Å; N182-A184 PolarHBondContact O-N 3.26Å; A184-D187 PolarHBondContact O-N 3.46Å; A184-V188 WeakPolarHBondContact O-CB 3.43Å; A184-V188 VanDerWaalsContact O-CG2 3.27Å; A184-V188 WeakPolarHBondContact O-CG2 3.35Å; A184-V188 PolarHBondContact O-N 2.85Å |
| 185 | L | 78.5 | Confident | 74.2 | Confident | 42 Ų | 42 | 53.6 Ų | 53.6 | 22% | 0.22 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 173.4 | -107.1 | 150.7 | 0 | 0 | 0 | 111.6 | F100 L121 W123 L181 N182 V188 M189 | F100-L185 HydrophobicContact CE1-CD1 3.76Å; F100-L185 HydrophobicContact CE1-CG 4.47Å; F100-L185 HydrophobicContact CZ-CD1 4.2Å; L121-L185 HydrophobicContact CD2-CG 4.29Å; W123-L185 HydrophobicContact CD2-CD1 4.35Å; W123-L185 HydrophobicContact CD2-CD2 4.47Å; W123-L185 HydrophobicContact CE3-CD2 4.14Å; L181-L185 PolarHBondContact O-N 2.9Å; N182-L185 WeakPolarHBondContact O-CB 3.29Å; N182-L185 PolarHBondContact O-N 2.79Å; L185-V188 PolarHBondContact O-N 2.94Å; L185-M189 VanDerWaalsContact O-CB 3.32Å; L185-M189 WeakPolarHBondContact O-CB 3.27Å; L185-M189 WeakPolarHBondContact O-CG 3.45Å; L185-M189 PolarHBondContact O-N 2.88Å |
| 186 | Y | 79.4 | Confident | 76.1 | Confident | 171 Ų | 171 | 52.8 Ų | 52.8 | 67% | 0.671 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.5 | -46.6 | 176.1 | -77.4 | -66.1 | 0 | 0 | 0 | 112.3 | N182 N183 V188 M189 D190 | N182-Y186 WeakPolarHBondContact O-CD2 3.01Å; N182-Y186 PolarHBondContact O-N 2.84Å; N183-Y186 PolarHBondContact O-N 3.13Å; Y186-V188 VanDerWaalsContact C-N 3.29Å; Y186-V188 PolarHBondContact O-N 2.78Å; Y186-M189 PolarHBondContact O-N 3.38Å; Y186-M189 VanDerWaalsContact O-N 3.15Å; Y186-D190 PolarHBondContact O-N 2.8Å |
| 187 | D | 80 | Confident | 77.7 | Confident | 52 Ų | 52 | 50.1 Ų | 50.1 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.9 | -36.7 | 179.3 | -170.5 | 77.8 | 0 | 0 | 0 | 111.5 | R164 N183 A184 R191 | R164-D187 IonicContact CZ-OD1 3.27Å; R164-D187 IonicContact NH1-OD1 3.63Å; R164-D187 PolarHBondContact NH1-OD1 3.14Å; R164-D187 IonicContact NH1-OD2 3.38Å; N183-D187 WeakPolarHBondContact O-CB 3.36Å; N183-D187 PolarHBondContact O-N 3.33Å; A184-D187 PolarHBondContact O-N 3.46Å; D187-R191 WeakPolarHBondContact O-CG 3.29Å; D187-R191 PolarHBondContact O-NE 2.84Å; D187-R191 IonicContact OD2-CZ 3.42Å; D187-R191 IonicContact OD2-NE 2.85Å; D187-R191 IonicContact OD2-NH2 2.81Å; D187-R191 PolarHBondContact OD2-NH2 3.02Å |
| 188 | V | 81.2 | Confident | 78.8 | Confident | 11 Ų | 11 | 48.8 Ų | 48.8 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.2 | -41.6 | 173.2 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | L121 V166 A184 L185 Y186 D190 R191 T194 | L121-V188 HydrophobicContact CB-CG1 4.2Å; L121-V188 HydrophobicContact CB-CG2 4.07Å; L121-V188 HydrophobicContact CD2-CG2 4.48Å; V166-V188 HydrophobicContact CB-CG2 4.15Å; V166-V188 HydrophobicContact CG1-CG2 3.47Å; V166-V188 VanDerWaalsContact CG1-CG2 3.47Å; V166-V188 HydrophobicContact CG2-CG2 3.77Å; A184-V188 WeakPolarHBondContact O-CB 3.43Å; A184-V188 VanDerWaalsContact O-CG2 3.27Å; A184-V188 WeakPolarHBondContact O-CG2 3.35Å; A184-V188 PolarHBondContact O-N 2.85Å; L185-V188 PolarHBondContact O-N 2.94Å; Y186-V188 VanDerWaalsContact C-N 3.29Å; Y186-V188 PolarHBondContact O-N 2.78Å; V188-D190 PolarHBondContact O-N 2.88Å; V188-R191 PolarHBondContact O-N 3.41Å; V188-T194 HydrophobicContact CG1-CG2 4.3Å; V188-T194 WeakPolarHBondContact O-CG2 3.4Å |
| 189 | M | 80.3 | Confident | 80.1 | Confident | 115 Ų | 115 | 51.8 Ų | 51.8 | 57% | 0.567 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -64.6 | -28.9 | -178.7 | -77.3 | -98.9 | -79.7 | 0 | 0 | 113.6 | L185 Y186 | L185-M189 VanDerWaalsContact O-CB 3.32Å; L185-M189 WeakPolarHBondContact O-CB 3.27Å; L185-M189 WeakPolarHBondContact O-CG 3.45Å; L185-M189 PolarHBondContact O-N 2.88Å; Y186-M189 PolarHBondContact O-N 3.38Å; Y186-M189 VanDerWaalsContact O-N 3.15Å |
| 190 | D | 83.1 | Confident | 81.3 | Confident | 145 Ų | 145 | 52.9 Ų | 52.9 | 78% | 0.775 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -85.7 | -14.4 | -177.1 | -158.2 | 41.7 | 0 | 0 | 0 | 113.6 | Y186 V188 | Y186-D190 PolarHBondContact O-N 2.8Å; V188-D190 PolarHBondContact O-N 2.88Å |
| 191 | R | 85.2 | Confident | 82.1 | Confident | 25 Ų | 25 | 57.1 Ų | 57.1 | 9% | 0.094 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -69.7 | 147.1 | 179.8 | -32 | -179.2 | 168.3 | -173.3 | -13.4 | 110.7 | T119 R164 P165 D187 V188 L193 T194 | T119-R191 PolarHBondContact O-NH1 3.38Å; R164-R191 PolarHBondContact O-NH1 3.26Å; R164-R191 PolarHBondContact O-NH2 2.99Å; P165-R191 PolarHBondContact O-NH2 2.86Å; D187-R191 WeakPolarHBondContact O-CG 3.29Å; D187-R191 PolarHBondContact O-NE 2.84Å; D187-R191 IonicContact OD2-CZ 3.42Å; D187-R191 IonicContact OD2-NE 2.85Å; D187-R191 IonicContact OD2-NH2 2.81Å; D187-R191 PolarHBondContact OD2-NH2 3.02Å; V188-R191 PolarHBondContact O-N 3.41Å; R191-L193 VanDerWaalsContact C-N 3.28Å; R191-L193 PolarHBondContact O-N 2.89Å; R191-T194 HydrophobicContact CB-CG2 3.52Å; R191-T194 HydrophobicContact CG-CG2 3.99Å; R191-T194 WeakPolarHBondContact O-CG2 3.22Å |
| 192 | N | 83.2 | Confident | 82.7 | Confident | 29 Ų | 29 | 59.2 Ų | 59.2 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -58.3 | -43.5 | 176.9 | -178.2 | 16 | 0 | 0 | 0 | 112.1 | Q145 T146 Q147 Y162 | Q145-N192 CarbonylContact C-O 3.36Å; Q145-N192 VanDerWaalsContact CA-O 3.25Å; Q145-N192 WeakPolarHBondContact CA-O 3.34Å; T146-N192 PolarHBondContact N-O 2.87Å; T146-N192 PolarHBondContact N-OD1 3.39Å; T146-N192 WeakPolarHBondContact OG1-CA 3.35Å; T146-N192 PolarHBondContact OG1-OD1 3.1Å; T146-N192 VanDerWaalsContact OG1-OD1 3.06Å; Q147-N192 WeakPolarHBondContact CA-OD1 3.34Å; Q147-N192 WeakPolarHBondContact CB-OD1 3.39Å; Q147-N192 PolarHBondContact N-OD1 3.13Å; Q147-N192 PolarHBondContact O-ND2 3.27Å; Q147-N192 PolarHBondContact O-OD1 2.89Å; Q147-N192 VanDerWaalsContact O-OD1 3.12Å; Y162-N192 HydrophobicContact CE1-CB 4.34Å; Y162-N192 PolarHBondContact OH-ND2 2.87Å |
| 193 | L | 84.9 | Confident | 83.3 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 119.9 | -177.1 | -174 | 74.4 | 0 | 0 | 0 | 109.7 | L107 L116 V118 I143 K144 Q145 I149 Y162 R191 L230 | L107-L193 HydrophobicContact CD1-CD2 3.74Å; L116-L193 HydrophobicContact CD2-CD2 3.87Å; V118-L193 HydrophobicContact CB-CD2 4.46Å; V118-L193 HydrophobicContact CG1-CD2 4.21Å; V118-L193 HydrophobicContact CG1-CG 4.15Å; V118-L193 HydrophobicContact CG2-CD2 3.44Å; V118-L193 VanDerWaalsContact CG2-CD2 3.44Å; V118-L193 HydrophobicContact CG2-CG 4.25Å; I143-L193 HydrophobicContact CG2-CD1 3.33Å; I143-L193 HydrophobicContact CG2-CG 4.27Å; K144-L193 WeakPolarHBondContact O-CA 3.43Å; Q145-L193 HydrophobicContact CB-CD1 3.85Å; Q145-L193 HydrophobicContact CG-CD1 3.93Å; I149-L193 HydrophobicContact CD1-CD1 4.02Å; I149-L193 HydrophobicContact CD1-CD2 3.6Å; I149-L193 HydrophobicContact CD1-CG 4.29Å; Y162-L193 HydrophobicContact CD1-CB 3.77Å; Y162-L193 HydrophobicContact CD1-CD2 4.14Å; Y162-L193 HydrophobicContact CE1-CB 3.72Å; Y162-L193 HydrophobicContact CE1-CD2 4.38Å; R191-L193 VanDerWaalsContact C-N 3.28Å; R191-L193 PolarHBondContact O-N 2.89Å; L193-L230 HydrophobicContact CD1-CD2 3.82Å |
| 194 | T | 87.4 | Confident | 83.7 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 3% | 0.025 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 163.5 | -174.3 | 80.7 | 0 | 0 | 0 | 0 | 110.4 | I143 K144 V188 R191 | I143-T194 WeakPolarHBondContact CA-O 3.11Å; K144-T194 PolarHBondContact N-O 3.47Å; K144-T194 PolarHBondContact O-N 2.81Å; V188-T194 HydrophobicContact CG1-CG2 4.3Å; V188-T194 WeakPolarHBondContact O-CG2 3.4Å; R191-T194 HydrophobicContact CB-CG2 3.52Å; R191-T194 HydrophobicContact CG-CG2 3.99Å; R191-T194 WeakPolarHBondContact O-CG2 3.22Å |
| 195 | I | 87.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 132.8 | 179.5 | -56.7 | 175.4 | 0 | 0 | 0 | 107.9 | M1 I103 C105 V118 G120 L121 L141 T142 | M1-I195 HydrophobicContact CE-CD1 4.17Å; M1-I195 HydrophobicContact CE-CG1 4.41Å; I103-I195 HydrophobicContact CG2-CG2 4.2Å; C105-I195 HydrophobicContact CB-CD1 3.45Å; C105-I195 VanDerWaalsContact CB-CD1 3.45Å; V118-I195 HydrophobicContact CB-CD1 4.1Å; V118-I195 HydrophobicContact CG1-CD1 4.11Å; V118-I195 HydrophobicContact CG1-CG1 4.03Å; G120-I195 WeakPolarHBondContact CA-O 3.47Å; L121-I195 PolarHBondContact N-O 3.46Å; L141-I195 HydrophobicContact CD1-CG2 3.56Å; L141-I195 HydrophobicContact CD2-CG2 3.47Å; L141-I195 VanDerWaalsContact CD2-CG2 3.47Å; L141-I195 HydrophobicContact CG-CG2 3.33Å; T142-I195 WeakPolarHBondContact O-CA 3.3Å |
| 196 | H | 87.1 | Confident | 83.8 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 171.3 | 178.7 | 59.6 | -72.8 | 0 | 0 | 0 | 110.2 | T142 | T142-H196 PolarHBondContact N-O 3.43Å; T142-H196 PolarHBondContact O-CE1 3.15Å; T142-H196 PolarHBondContact O-N 2.89Å; T142-H196 PolarHBondContact O-ND1 3.42Å; T142-H196 VanDerWaalsContact O-ND1 3.1Å; T142-H196 PolarHBondContact OG1-CD2 2.95Å; T142-H196 PolarHBondContact OG1-CE1 3.39Å; T142-H196 VanDerWaalsContact OG1-CE1 3.27Å; T142-H196 PolarHBondContact OG1-NE2 3.29Å; T142-H196 PolarHBondContact OG1-O 3.22Å |
| 197 | L | 87.8 | Confident | 83.1 | Confident | 22 Ų | 22 | 55 Ų | 55 | 12% | 0.115 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 129.1 | 172.1 | -67.8 | -173 | 0 | 0 | 0 | 110.6 | I122 N124 S139 L141 I223 | I122-L197 HydrophobicContact CB-CG 4.46Å; I122-L197 HydrophobicContact CG1-CD2 4.17Å; I122-L197 HydrophobicContact CG1-CG 4.34Å; I122-L197 HydrophobicContact CG2-CD1 3.6Å; I122-L197 HydrophobicContact CG2-CD2 4.37Å; I122-L197 HydrophobicContact CG2-CG 3.93Å; N124-L197 HydrophobicContact CB-CD1 4.43Å; S139-L197 WeakPolarHBondContact OG-CD2 3.49Å; L141-L197 HydrophobicContact CD1-CD2 4.39Å; L197-I223 HydrophobicContact CD2-CD1 4.2Å; L197-I223 HydrophobicContact CD2-CG1 4.29Å; L197-I223 HydrophobicContact CD2-CG2 4.1Å |
| 198 | G | 84.6 | Confident | 81.9 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 160 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E140 T142 T200 | E140-G198 PolarHBondContact N-O 3.05Å; E140-G198 PolarHBondContact O-N 2.79Å; E140-G198 VanDerWaalsContact O-O 3.14Å; T142-G198 PolarHBondContact OG1-N 3.42Å; G198-T200 VanDerWaalsContact C-N 3.25Å; G198-T200 PolarHBondContact O-N 3.15Å; G198-T200 VanDerWaalsContact O-N 3.16Å |
| 199 | K | 85 | Confident | 80.1 | Confident | 150 Ų | 150 | 65.4 Ų | 65.4 | 65% | 0.652 | 35% | 0.35 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 45.8 | 45.9 | 178.6 | -57 | -169.7 | -160.1 | 143.5 | 0 | 114.2 | E140 Q201 | E140-K199 IonicContact OE1-NZ 2.81Å; E140-K199 PolarHBondContact OE1-NZ 2.98Å; E140-K199 WeakPolarHBondContact OE2-CD 3.28Å; E140-K199 WeakPolarHBondContact OE2-CE 3.39Å; E140-K199 IonicContact OE2-NZ 2.75Å; E140-K199 PolarHBondContact OE2-NZ 2.88Å; K199-Q201 PolarHBondContact O-N 2.88Å |
| 200 | T | 86.1 | Confident | 78.3 | Confident | 58 Ų | 58 | 67.2 Ų | 67.2 | 36% | 0.356 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 128.4 | -178.1 | -47.2 | 0 | 0 | 0 | 0 | 111.3 | N124 I137 Q138 G198 | N124-T200 WeakPolarHBondContact ND2-CG2 3.03Å; I137-T200 HydrophobicContact CG2-CG2 3.72Å; Q138-T200 CarbonylContact O-C 3.44Å; Q138-T200 WeakPolarHBondContact O-CA 3.34Å; G198-T200 VanDerWaalsContact C-N 3.25Å; G198-T200 PolarHBondContact O-N 3.15Å; G198-T200 VanDerWaalsContact O-N 3.16Å |
| 201 | Q | 86.2 | Confident | 76.3 | Confident | 100 Ų | 100 | 62.5 Ų | 62.5 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.7 | 170.1 | -61.2 | -178.4 | -5.2 | 0 | 0 | 108.4 | I137 Q138 K199 F203 | I137-Q201 WeakPolarHBondContact CA-O 3.37Å; Q138-Q201 PolarHBondContact N-O 2.87Å; Q138-Q201 PolarHBondContact O-N 3.27Å; K199-Q201 PolarHBondContact O-N 2.88Å; Q201-F203 HydrophobicContact CB-CE2 3.83Å; Q201-F203 HydrophobicContact CB-CZ 4.45Å |
| 202 | C | 83.9 | Confident | 74.4 | Confident | 49 Ų | 49 | 69 Ų | 69 | 33% | 0.331 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130 | 178.1 | -63.5 | 0 | 0 | 0 | 0 | 109 | F126 F136 | F126-C202 HydrophobicContact CD2-CB 4.44Å; F136-C202 CarbonylContact O-C 3.58Å; F136-C202 WeakPolarHBondContact O-CA 3.22Å |
| 203 | F | 84.6 | Confident | 72.6 | Confident | 94 Ų | 94 | 71.6 Ų | 71.6 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 135.9 | 172.5 | -60.4 | -88.3 | 0 | 0 | 0 | 107.7 | W67 F136 Q201 | W67-F203 HydrophobicContact CH2-CD2 4.1Å; W67-F203 HydrophobicContact CH2-CE1 4.17Å; W67-F203 AromaticContact CH2-CE2 3.51Å; W67-F203 HydrophobicContact CH2-CE2 3.51Å; W67-F203 AromaticContact CH2-CZ 3.55Å; W67-F203 HydrophobicContact CH2-CZ 3.55Å; W67-F203 AromaticContact CZ2-CD2 3.8Å; W67-F203 HydrophobicContact CZ2-CD2 3.8Å; W67-F203 AromaticContact CZ2-CE2 3.37Å; W67-F203 HydrophobicContact CZ2-CE2 3.37Å; W67-F203 AromaticContact CZ2-CZ 3.94Å; W67-F203 HydrophobicContact CZ2-CZ 3.94Å; F136-F203 HydrophobicContact CB-CB 4.32Å; F136-F203 PolarHBondContact N-O 2.9Å; F136-F203 PolarHBondContact O-N 2.9Å; Q201-F203 HydrophobicContact CB-CE2 3.83Å; Q201-F203 HydrophobicContact CB-CZ 4.45Å |
| 204 | M | 85.3 | Confident | 71 | Confident | 85 Ų | 85 | 75.9 Ų | 75.9 | 42% | 0.419 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 141.6 | 177.3 | 69.8 | 175.8 | -171.8 | 0 | 0 | 110.1 | F126 S128 I132 D134 L135 T206 | F126-M204 HydrophobicContact CE1-CB 4.43Å; F126-M204 HydrophobicContact CE1-SD 3.91Å; F126-M204 HydrophobicContact CZ-CG 4.5Å; F126-M204 HydrophobicContact CZ-SD 3.77Å; S128-M204 PolarHBondContact OG-SD 3.41Å; I132-M204 HydrophobicContact CG1-SD 4.41Å; I132-M204 HydrophobicContact CG2-CB 4.08Å; D134-M204 CarbonylContact O-C 3.59Å; D134-M204 VanDerWaalsContact O-CA 3.32Å; D134-M204 WeakPolarHBondContact O-CA 3.49Å; L135-M204 HydrophobicContact CD1-CB 4.2Å; M204-T206 HydrophobicContact CE-CG2 4.16Å; M204-T206 HydrophobicContact SD-CG2 4.45Å |
| 205 | S | 81.2 | Confident | 69.7 | Low | 36 Ų | 36 | 79.2 Ų | 79.2 | 25% | 0.252 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 141.6 | 160.8 | 73 | 0 | 0 | 0 | 0 | 108.5 | T133 D134 | T133-S205 PolarHBondContact N-O 2.81Å; T133-S205 PolarHBondContact OG1-O 3.42Å; T133-S205 PolarHBondContact OG1-OG 3.09Å; D134-S205 WeakPolarHBondContact CA-OG 3.39Å; D134-S205 WeakPolarHBondContact CB-OG 3.34Å; D134-S205 PolarHBondContact N-OG 3.31Å; D134-S205 PolarHBondContact O-N 3.5Å; D134-S205 PolarHBondContact OD2-OG 3.32Å |
| 206 | T | 76.4 | Confident | 68.9 | Low | 67 Ų | 67 | 81.8 Ų | 81.8 | 41% | 0.411 | 46% | 0.459 | S | S | . | . | trans | -117.1 | 136.7 | 174.5 | 56.6 | 0 | 0 | 0 | 0 | 107.3 | T130 S131 M204 | T130-T206 WeakPolarHBondContact OG1-CG2 3.11Å; S131-T206 WeakPolarHBondContact O-CG2 3.32Å; M204-T206 HydrophobicContact CE-CG2 4.16Å; M204-T206 HydrophobicContact SD-CG2 4.45Å | ||
| 207 | S | 64.7 | Low | 68.3 | Low | 26 Ų | 26 | 78.5 Ų | 78.5 | 18% | 0.182 | 44% | 0.444 | C | S | . | . | trans | -67.7 | 135.4 | 171.6 | 46.3 | 0 | 0 | 0 | 0 | 110.9 | A209 A211 E215 | S207-A209 PolarHBondContact O-N 3.24Å; S207-A211 WeakPolarHBondContact OG-CB 3.41Å; S207-E215 WeakPolarHBondContact CB-OE1 3.47Å; S207-E215 WeakPolarHBondContact CB-OE2 3.46Å; S207-E215 PolarHBondContact OG-OE1 3.33Å; S207-E215 PolarHBondContact OG-OE2 3.21Å | ||
| 208 | E | 52.9 | Low | 68.1 | Low | 184 Ų | 184 | 79.4 Ų | 79.4 | 86% | 0.86 | 45% | 0.447 | S | S | * | . | trans | -72.6 | 113 | 173.2 | -73.7 | -175.1 | 162.4 | 0 | 0 | 109.4 | D210 | E208-D210 VanDerWaalsContact C-N 3.25Å; E208-D210 PolarHBondContact O-N 2.98Å | ||
| 209 | A | 43.3 | Very low | 68 | Low | 97 Ų | 97 | 78.8 Ų | 78.8 | 80% | 0.802 | 44% | 0.441 | S | S | * | . | S | Bend | trans | 44.2 | -16.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | S207 | S207-A209 PolarHBondContact O-N 3.24Š|
| 210 | D | 42.7 | Very low | 68 | Low | 153 Ų | 153 | 72.1 Ų | 72.1 | 82% | 0.818 | 41% | 0.412 | S | S | * | . | trans | -144.2 | 38.8 | -174.2 | -75.4 | -45.3 | 0 | 0 | 0 | 112.6 | E208 Q212 | E208-D210 VanDerWaalsContact C-N 3.25Å; E208-D210 PolarHBondContact O-N 2.98Å; D210-Q212 PolarHBondContact O-N 2.74Å | ||
| 211 | A | 42.7 | Very low | 68 | Low | 47 Ų | 47 | 69.4 Ų | 69.4 | 39% | 0.388 | 40% | 0.396 | S | S | . | . | trans | -61.4 | 115.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S207 E215 | S207-A211 WeakPolarHBondContact OG-CB 3.41Å; A211-E215 HydrophobicContact CB-CG 4.15Å; A211-E215 WeakPolarHBondContact CB-OE1 3.28Å; A211-E215 WeakPolarHBondContact CB-OE2 3.1Å | ||
| 212 | Q | 43.7 | Very low | 67.9 | Low | 162 Ų | 162 | 65.7 Ų | 65.7 | 76% | 0.757 | 38% | 0.38 | S | S | * | . | trans | -63.2 | 151.8 | 173.2 | -76 | 177.3 | -3 | 0 | 0 | 111.5 | D210 S214 E215 | D210-Q212 PolarHBondContact O-N 2.74Å; Q212-S214 PolarHBondContact O-N 3.23Å; Q212-E215 PolarHBondContact O-N 2.84Å | ||
| 213 | S | 46.8 | Very low | 68 | Low | 82 Ų | 82 | 63.3 Ų | 63.3 | 57% | 0.573 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 13.3 | -171.3 | 50.9 | 0 | 0 | 0 | 0 | 117.2 | ||
| 214 | S | 51.2 | Low | 67.9 | Low | 91 Ų | 91 | 60.1 Ų | 60.1 | 64% | 0.636 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.3 | 34.8 | -179.1 | 70.7 | 0 | 0 | 0 | 0 | 112.7 | Q212 S216 | Q212-S214 PolarHBondContact O-N 3.23Å; S214-S216 PolarHBondContact O-N 2.9Å |
| 215 | E | 60.2 | Low | 67.8 | Low | 75 Ų | 75 | 56.9 Ų | 56.9 | 35% | 0.35 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 122.1 | 174 | -79.3 | -171.7 | 163.1 | 0 | 0 | 110.5 | T133 S207 A211 Q212 | T133-E215 WeakPolarHBondContact CG2-OE2 3.46Å; S207-E215 WeakPolarHBondContact CB-OE1 3.47Å; S207-E215 WeakPolarHBondContact CB-OE2 3.46Å; S207-E215 PolarHBondContact OG-OE1 3.33Å; S207-E215 PolarHBondContact OG-OE2 3.21Å; A211-E215 HydrophobicContact CB-CG 4.15Å; A211-E215 WeakPolarHBondContact CB-OE1 3.28Å; A211-E215 WeakPolarHBondContact CB-OE2 3.1Å; Q212-E215 PolarHBondContact O-N 2.84Å |
| 216 | S | 69.9 | Low | 67.5 | Low | 55 Ų | 55 | 56 Ų | 56 | 39% | 0.385 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 129.4 | 169.5 | 53.5 | 0 | 0 | 0 | 0 | 109.3 | I86 S214 | I86-S216 CarbonylContact O-C 3.47Å; I86-S216 WeakPolarHBondContact O-CA 3.37Å; S214-S216 PolarHBondContact O-N 2.9Å |
| 217 | F | 75.8 | Confident | 67.2 | Low | 3 Ų | 3 | 61.2 Ų | 61.2 | 1% | 0.013 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 118.3 | 172.8 | 173 | -115.8 | 0 | 0 | 0 | 110.2 | I86 I94 K97 I132 T133 L135 I219 | I86-F217 HydrophobicContact CB-CB 4.34Å; I86-F217 HydrophobicContact CB-CD1 4.26Å; I86-F217 HydrophobicContact CD1-CD1 3.58Å; I86-F217 HydrophobicContact CD1-CE1 3.99Å; I86-F217 PolarHBondContact N-O 2.85Å; I86-F217 PolarHBondContact O-N 3.35Å; I94-F217 HydrophobicContact CB-CG 4.47Å; I94-F217 HydrophobicContact CD1-CB 3.35Å; I94-F217 HydrophobicContact CD1-CD1 3.92Å; I94-F217 HydrophobicContact CD1-CG 3.71Å; I94-F217 HydrophobicContact CG2-CD1 3.99Å; I94-F217 HydrophobicContact CG2-CD2 4.07Å; I94-F217 HydrophobicContact CG2-CE1 3.92Å; I94-F217 HydrophobicContact CG2-CE2 4.04Å; I94-F217 HydrophobicContact CG2-CG 4.06Å; I94-F217 HydrophobicContact CG2-CZ 3.96Å; K97-F217 HydrophobicContact CG-CZ 4.46Å; I132-F217 HydrophobicContact CB-CD2 4.37Å; I132-F217 HydrophobicContact CB-CE2 3.84Å; I132-F217 HydrophobicContact CG2-CD2 4.33Å; I132-F217 HydrophobicContact CG2-CE2 3.66Å; I132-F217 WeakPolarHBondContact O-CD2 3.36Å; T133-F217 CarbonylContact O-C 3.58Å; T133-F217 VanDerWaalsContact O-CA 3.25Å; T133-F217 WeakPolarHBondContact O-CA 3.39Å; T133-F217 VanDerWaalsContact O-CD2 3.32Å; T133-F217 WeakPolarHBondContact O-CD2 3.39Å; L135-F217 HydrophobicContact CB-CE2 4.21Å; L135-F217 HydrophobicContact CB-CZ 4.27Å; F217-I219 HydrophobicContact CD1-CD1 4.37Å; F217-I219 HydrophobicContact CD1-CG1 4.21Å; F217-I219 HydrophobicContact CE1-CD1 3.51Å; F217-I219 HydrophobicContact CE1-CG1 3.46Å; F217-I219 VanDerWaalsContact CE1-CG1 3.46Å; F217-I219 HydrophobicContact CE2-CG1 4.45Å; F217-I219 HydrophobicContact CZ-CD1 4Å; F217-I219 HydrophobicContact CZ-CG1 3.6Å |
| 218 | H | 82.6 | Confident | 67.7 | Low | 41 Ų | 41 | 62.9 Ų | 62.9 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.3 | -177.8 | -169.5 | 71 | 0 | 0 | 0 | 111 | D85 T133 D134 L135 T220 | D85-H218 IonicContact OD1-CE1 3.72Å; D85-H218 PolarHBondContact OD1-CE1 3.38Å; D85-H218 IonicContact OD1-CG 3.52Å; D85-H218 IonicContact OD1-ND1 2.82Å; D85-H218 PolarHBondContact OD1-ND1 2.74Å; T133-H218 PolarHBondContact O-N 2.92Å; D134-H218 CarbonylContact C-O 3.6Å; D134-H218 VanDerWaalsContact CA-O 3.31Å; D134-H218 WeakPolarHBondContact CA-O 3.49Å; D134-H218 WeakPolarHBondContact OD1-CB 3.44Å; L135-H218 PolarHBondContact N-O 2.8Å; H218-T220 PolarHBondContact CD2-OG1 2.8Å; H218-T220 PolarHBondContact NE2-OG1 2.87Å |
| 219 | I | 83 | Confident | 68.5 | Low | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.4 | 168.8 | -55.1 | 162.3 | 0 | 0 | 0 | 108.3 | S83 I84 I86 K97 L99 L135 I137 F217 | S83-I219 CarbonylContact C-O 3.57Å; S83-I219 VanDerWaalsContact CA-O 3.29Å; S83-I219 WeakPolarHBondContact CA-O 3.41Å; I84-I219 HydrophobicContact CB-CB 4.16Å; I84-I219 HydrophobicContact CB-CD1 4.4Å; I84-I219 HydrophobicContact CD1-CD1 4.45Å; I84-I219 PolarHBondContact N-O 2.81Å; I84-I219 PolarHBondContact O-N 3.27Å; I86-I219 HydrophobicContact CD1-CD1 4.26Å; K97-I219 HydrophobicContact CB-CD1 4.38Å; K97-I219 HydrophobicContact CD-CD1 4.01Å; K97-I219 HydrophobicContact CG-CD1 4.01Å; L99-I219 HydrophobicContact CD1-CG2 4.44Å; L135-I219 HydrophobicContact CB-CG1 4.3Å; L135-I219 HydrophobicContact CD2-CG1 4.47Å; L135-I219 HydrophobicContact CD2-CG2 4.43Å; L135-I219 CarbonylContact O-C 3.53Å; L135-I219 WeakPolarHBondContact O-CA 3.29Å; I137-I219 HydrophobicContact CD1-CG2 4.27Å; F217-I219 HydrophobicContact CD1-CD1 4.37Å; F217-I219 HydrophobicContact CD1-CG1 4.21Å; F217-I219 HydrophobicContact CE1-CD1 3.51Å; F217-I219 HydrophobicContact CE1-CG1 3.46Å; F217-I219 VanDerWaalsContact CE1-CG1 3.46Å; F217-I219 HydrophobicContact CE2-CG1 4.45Å; F217-I219 HydrophobicContact CZ-CD1 4Å; F217-I219 HydrophobicContact CZ-CG1 3.6Å |
| 220 | T | 85 | Confident | 70 | Confident | 9 Ų | 9 | 60 Ų | 60 | 6% | 0.055 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 115.1 | 168.6 | -39 | 0 | 0 | 0 | 0 | 109.2 | E81 L135 F136 I137 H218 V222 | E81-T220 HydrophobicContact CG-CG2 4.07Å; E81-T220 WeakPolarHBondContact OE1-CG2 2.94Å; L135-T220 PolarHBondContact O-N 2.82Å; F136-T220 WeakPolarHBondContact CA-O 3.16Å; F136-T220 HydrophobicContact CD1-CG2 4.3Å; F136-T220 WeakPolarHBondContact CD1-OG1 3.45Å; F136-T220 HydrophobicContact CE1-CG2 4.38Å; F136-T220 WeakPolarHBondContact CE1-OG1 3.45Å; I137-T220 PolarHBondContact N-O 2.81Å; H218-T220 PolarHBondContact CD2-OG1 2.8Å; H218-T220 PolarHBondContact NE2-OG1 2.87Å; T220-V222 HydrophobicContact CG2-CG2 4.24Å |
| 221 | L | 85.2 | Confident | 71.5 | Confident | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 111.5 | 174.2 | 174 | 64.5 | 0 | 0 | 0 | 109.6 | E81 I82 L99 I101 I122 I137 I223 | E81-L221 CarbonylContact C-O 3.57Å; E81-L221 WeakPolarHBondContact CA-O 3.43Å; I82-L221 HydrophobicContact CB-CB 4.29Å; I82-L221 HydrophobicContact CD1-CD2 4.35Å; I82-L221 PolarHBondContact N-O 3.16Å; I82-L221 PolarHBondContact O-N 2.87Å; L99-L221 HydrophobicContact CD1-CD2 4.49Å; I101-L221 HydrophobicContact CD1-CD2 4.45Å; I122-L221 HydrophobicContact CG2-CD2 4.09Å; I137-L221 HydrophobicContact CB-CD1 3.68Å; I137-L221 HydrophobicContact CG2-CD1 3.48Å; I137-L221 VanDerWaalsContact CG2-CD1 3.48Å; I137-L221 CarbonylContact O-C 3.58Å; I137-L221 WeakPolarHBondContact O-CA 3.43Å; L221-I223 HydrophobicContact CD1-CG1 4.09Å; L221-I223 HydrophobicContact CD2-CD1 3.96Å; L221-I223 HydrophobicContact CD2-CG1 4.25Å; L221-I223 HydrophobicContact CG-CD1 4.12Å; L221-I223 HydrophobicContact CG-CG1 3.85Å |
| 222 | V | 84.8 | Confident | 73 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 13% | 0.127 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.3 | 174.3 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | I80 E81 I137 Q138 S139 T220 | I80-V222 CarbonylContact O-C 3.6Å; I80-V222 WeakPolarHBondContact O-CA 3.35Å; E81-V222 HydrophobicContact CG-CG2 4.34Å; I137-V222 PolarHBondContact O-N 3.35Å; Q138-V222 CarbonylContact C-O 3.5Å; Q138-V222 WeakPolarHBondContact CA-O 3.39Å; S139-V222 PolarHBondContact N-O 2.71Å; T220-V222 HydrophobicContact CG2-CG2 4.24Å |
| 223 | I | 85.3 | Confident | 74.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 112.9 | -179.1 | -50 | 175.8 | 0 | 0 | 0 | 108.6 | A79 I80 I122 S139 L141 L197 L221 | A79-I223 CarbonylContact C-O 3.6Å; A79-I223 WeakPolarHBondContact CA-O 3.31Å; I80-I223 HydrophobicContact CB-CB 4.37Å; I80-I223 PolarHBondContact N-O 2.88Å; I80-I223 PolarHBondContact O-N 3.04Å; I122-I223 HydrophobicContact CD1-CD1 3.4Å; I122-I223 VanDerWaalsContact CD1-CD1 3.4Å; I122-I223 HydrophobicContact CG1-CD1 4.17Å; S139-I223 CarbonylContact O-C 3.55Å; S139-I223 WeakPolarHBondContact O-CA 3.21Å; L141-I223 HydrophobicContact CB-CG2 3.81Å; L141-I223 HydrophobicContact CD1-CG2 3.73Å; L141-I223 HydrophobicContact CG-CG2 4.37Å; L197-I223 HydrophobicContact CD2-CD1 4.2Å; L197-I223 HydrophobicContact CD2-CG1 4.29Å; L197-I223 HydrophobicContact CD2-CG2 4.1Å; L221-I223 HydrophobicContact CD1-CG1 4.09Å; L221-I223 HydrophobicContact CD2-CD1 3.96Å; L221-I223 HydrophobicContact CD2-CG1 4.25Å; L221-I223 HydrophobicContact CG-CD1 4.12Å; L221-I223 HydrophobicContact CG-CG1 3.85Å |
| 224 | N | 83.9 | Confident | 75.6 | Confident | 27 Ų | 27 | 54 Ų | 54 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 138.1 | 173.2 | -67.1 | -20.9 | 0 | 0 | 0 | 109.9 | S139 E140 L141 P226 | S139-N224 PolarHBondContact O-N 2.87Å; E140-N224 HydrophobicContact CG-CB 4.22Å; L141-N224 PolarHBondContact N-O 2.78Å; N224-P226 VanDerWaalsContact C-CD 3.5Å; N224-P226 WeakPolarHBondContact O-CD 3.37Å |
| 225 | L | 81.7 | Confident | 76.4 | Confident | 17 Ų | 17 | 52 Ų | 52 | 9% | 0.089 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 83.5 | 177.3 | -65.2 | 114.6 | 0 | 0 | 0 | 110.8 | C4 K78 I80 L141 | C4-L225 HydrophobicContact CB-CD2 3.76Å; C4-L225 WeakPolarHBondContact SG-CD2 3.48Å; K78-L225 HydrophobicContact CB-CB 4.43Å; K78-L225 HydrophobicContact CB-CD1 4.23Å; K78-L225 WeakPolarHBondContact O-CB 3.15Å; K78-L225 WeakPolarHBondContact O-CD1 3.47Å; K78-L225 PolarHBondContact O-N 3.27Å; I80-L225 HydrophobicContact CB-CD1 4.48Å; I80-L225 HydrophobicContact CD1-CD1 4.02Å; I80-L225 HydrophobicContact CG1-CD1 3.94Å; L141-L225 HydrophobicContact CD2-CD2 3.83Å |
| 226 | P | 74.8 | Confident | 76.9 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 10% | 0.104 | 28% | 0.282 | C | S | . | . | trans | -66.8 | 155 | 175.8 | 29.4 | -34.7 | 0 | 0 | 0 | 111.5 | Y77 N224 | Y77-P226 HydrophobicContact CD1-CB 4.33Å; Y77-P226 HydrophobicContact CE1-CB 4.11Å; N224-P226 VanDerWaalsContact C-CD 3.5Å; N224-P226 WeakPolarHBondContact O-CD 3.37Å | ||
| 227 | E | 71.9 | Confident | 76.9 | Confident | 178 Ų | 178 | 59.4 Ų | 59.4 | 83% | 0.832 | 30% | 0.296 | S | S | * | . | trans | -67.8 | 134.4 | 166 | -66.7 | -172.6 | 164.9 | 0 | 0 | 109.5 | ||||
| 228 | Q | 74.7 | Confident | 76.6 | Confident | 60 Ų | 60 | 63.8 Ų | 63.8 | 28% | 0.28 | 32% | 0.316 | S | S | . | . | trans | -134.3 | 140.8 | -177.7 | -74.4 | -179.2 | 12.5 | 0 | 0 | 110 | L141 I143 | L141-Q228 PolarHBondContact O-NE2 2.81Å; I143-Q228 HydrophobicContact CD1-CB 4.06Å | ||
| 229 | E | 70.3 | Confident | 76 | Confident | 192 Ų | 192 | 67.8 Ų | 67.8 | 90% | 0.897 | 33% | 0.33 | S | S | * | . | trans | -84.8 | 134.2 | 176 | -63.5 | -176.3 | 173.5 | 0 | 0 | 109.8 | ||||
| 230 | L | 73.2 | Confident | 75.4 | Confident | 29 Ų | 29 | 71 Ų | 71 | 15% | 0.152 | 35% | 0.346 | C | S | . | . | trans | -102.5 | 140.8 | 174.2 | -69 | 164.6 | 0 | 0 | 0 | 109.2 | L107 I143 L193 F232 | L107-L230 HydrophobicContact CB-CD1 4.18Å; L107-L230 HydrophobicContact CD1-CD1 3.79Å; L107-L230 HydrophobicContact CD1-CD2 4.15Å; L107-L230 HydrophobicContact CD2-CD1 4.42Å; L107-L230 HydrophobicContact CG-CD1 4.36Å; I143-L230 HydrophobicContact CD1-CD2 4Å; I143-L230 HydrophobicContact CG2-CD2 4.03Å; L193-L230 HydrophobicContact CD1-CD2 3.82Å; L230-F232 HydrophobicContact CB-CD2 4.33Å; L230-F232 HydrophobicContact CB-CE2 3.69Å; L230-F232 HydrophobicContact CB-CZ 3.8Å; L230-F232 HydrophobicContact CD1-CZ 3.95Å; L230-F232 WeakPolarHBondContact O-CD2 3.34Å; L230-F232 PolarHBondContact O-N 2.85Å | ||
| 231 | L | 75 | Confident | 75.1 | Confident | 121 Ų | 121 | 77.5 Ų | 77.5 | 63% | 0.634 | 37% | 0.374 | S | S | * | . | trans | -82.2 | 109.5 | 174.8 | -63 | 172.9 | 0 | 0 | 0 | 108.9 | Q145 S148 I149 | Q145-L231 PolarHBondContact NE2-O 2.81Å; S148-L231 CarbonylContact C-O 3.42Å; S148-L231 VanDerWaalsContact CA-O 3.26Å; S148-L231 WeakPolarHBondContact CA-O 3.45Å; I149-L231 PolarHBondContact N-O 3.03Å | ||
| 232 | F | 75.1 | Confident | 74.4 | Confident | 45 Ų | 45 | 86.4 Ų | 86.4 | 20% | 0.197 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 145.4 | 174.5 | -65.9 | -76.2 | 0 | 0 | 0 | 111.4 | H109 F114 I149 L151 L230 T234 | H109-F232 HydrophobicContact CB-CE2 4.49Å; H109-F232 HydrophobicContact CB-CZ 4.18Å; H109-F232 AromaticContact ND1-CE2 3.74Å; F114-F232 HydrophobicContact CD1-CE1 4.36Å; F114-F232 HydrophobicContact CE1-CE1 4.15Å; I149-F232 HydrophobicContact CB-CD1 4.19Å; I149-F232 HydrophobicContact CB-CE1 4.45Å; I149-F232 HydrophobicContact CG2-CD1 4.39Å; I149-F232 HydrophobicContact CG2-CE1 4.38Å; I149-F232 CarbonylContact O-C 3.57Å; I149-F232 VanDerWaalsContact O-CA 3.3Å; I149-F232 WeakPolarHBondContact O-CA 3.25Å; L151-F232 HydrophobicContact CB-CB 4.36Å; L151-F232 HydrophobicContact CB-CD1 4.05Å; L151-F232 HydrophobicContact CB-CG 4.38Å; L151-F232 HydrophobicContact CD1-CB 4.42Å; L151-F232 HydrophobicContact CD1-CD1 3.46Å; L151-F232 VanDerWaalsContact CD1-CD1 3.46Å; L151-F232 HydrophobicContact CD1-CD2 4.04Å; L151-F232 HydrophobicContact CD1-CE1 3.56Å; L151-F232 HydrophobicContact CD1-CE2 4.12Å; L151-F232 HydrophobicContact CD1-CG 3.7Å; L151-F232 HydrophobicContact CD1-CZ 3.89Å; L151-F232 HydrophobicContact CG-CD1 4.39Å; L230-F232 HydrophobicContact CB-CD2 4.33Å; L230-F232 HydrophobicContact CB-CE2 3.69Å; L230-F232 HydrophobicContact CB-CZ 3.8Å; L230-F232 HydrophobicContact CD1-CZ 3.95Å; L230-F232 WeakPolarHBondContact O-CD2 3.34Å; L230-F232 PolarHBondContact O-N 2.85Å; F232-T234 PolarHBondContact O-N 2.69Å |
| 233 | E | 74.4 | Confident | 74.3 | Confident | 74 Ų | 74 | 86.5 Ų | 86.5 | 35% | 0.346 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 126.8 | 171.5 | -162 | 179.9 | 177.1 | 0 | 0 | 108.3 | I149 P235 R239 | I149-E233 PolarHBondContact O-N 3.15Å; E233-P235 WeakPolarHBondContact O-CD 3.31Å; E233-R239 IonicContact OE1-NH2 2.74Å; E233-R239 PolarHBondContact OE1-NH2 3.37Å |
| 234 | T | 68.8 | Low | 74.1 | Confident | 77 Ų | 77 | 92.2 Ų | 92.2 | 47% | 0.472 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -66.5 | 122 | 178 | 45.6 | 0 | 0 | 0 | 0 | 109.5 | F232 R239 | F232-T234 PolarHBondContact O-N 2.69Å; T234-R239 PolarHBondContact O-NE 2.75Å; T234-R239 PolarHBondContact O-NH2 3.4Å; T234-R239 PolarHBondContact OG1-NE 2.93Å |
| 235 | P | 68.7 | Low | 74 | Confident | 49 Ų | 49 | 96.2 Ų | 96.2 | 32% | 0.318 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -62.1 | 147.2 | 179 | 19.8 | -26.2 | 0 | 0 | 0 | 109.9 | E233 I237 H238 R239 | E233-P235 WeakPolarHBondContact O-CD 3.31Å; P235-I237 PolarHBondContact O-N 3Å; P235-I237 VanDerWaalsContact O-N 3.14Å; P235-H238 HydrophobicContact CG-CB 4.09Å; P235-H238 WeakPolarHBondContact O-CA 3.41Å; P235-H238 WeakPolarHBondContact O-CB 3.37Å; P235-H238 PolarHBondContact O-N 3.19Å; P235-R239 PolarHBondContact O-N 3.02Å |
| 236 | F | 69.9 | Low | 74 | Confident | 152 Ų | 152 | 102.6 Ų | 102.6 | 67% | 0.667 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -53 | -39.7 | -175.9 | -179.9 | -112.5 | 0 | 0 | 0 | 112.6 | H238 R239 L240 | F236-H238 VanDerWaalsContact C-N 3.27Å; F236-H238 PolarHBondContact O-N 2.9Å; F236-R239 WeakPolarHBondContact O-CB 3.35Å; F236-R239 PolarHBondContact O-N 2.85Å; F236-R239 VanDerWaalsContact O-N 3.11Å; F236-L240 HydrophobicContact CD1-CD1 3.5Å; F236-L240 VanDerWaalsContact CD1-CD1 3.5Å; F236-L240 HydrophobicContact CE1-CD1 3.06Å; F236-L240 HydrophobicContact CE1-CG 4.44Å; F236-L240 HydrophobicContact CE2-CD1 4.25Å; F236-L240 HydrophobicContact CG-CD1 4.27Å; F236-L240 HydrophobicContact CZ-CD1 3.48Å; F236-L240 VanDerWaalsContact CZ-CD1 3.48Å; F236-L240 PolarHBondContact O-N 3.44Å |
| 237 | I | 70.3 | Confident | 74.5 | Confident | 135 Ų | 135 | 107 Ų | 107 | 69% | 0.692 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.9 | -38.1 | 174.7 | -70.9 | 113.1 | 0 | 0 | 0 | 112.4 | P235 L240 K241 | P235-I237 PolarHBondContact O-N 3Å; P235-I237 VanDerWaalsContact O-N 3.14Å; I237-L240 WeakPolarHBondContact O-CB 3.42Å; I237-L240 PolarHBondContact O-N 3.15Å; I237-K241 WeakPolarHBondContact O-CB 3.42Å; I237-K241 PolarHBondContact O-N 3.49Å |
| 238 | H | 70.1 | Confident | 75.1 | Confident | 94 Ų | 94 | 102.6 Ų | 102.6 | 44% | 0.435 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.8 | -38.8 | 176.5 | -112.2 | -57.9 | 0 | 0 | 0 | 112 | P235 F236 L240 K241 W242 | P235-H238 HydrophobicContact CG-CB 4.09Å; P235-H238 WeakPolarHBondContact O-CA 3.41Å; P235-H238 WeakPolarHBondContact O-CB 3.37Å; P235-H238 PolarHBondContact O-N 3.19Å; F236-H238 VanDerWaalsContact C-N 3.27Å; F236-H238 PolarHBondContact O-N 2.9Å; H238-L240 VanDerWaalsContact C-N 3.33Å; H238-K241 PolarHBondContact O-N 2.82Å; H238-W242 VanDerWaalsContact O-CD1 3.26Å; H238-W242 PolarHBondContact O-N 2.63Å |
| 239 | R | 70.3 | Confident | 75.7 | Confident | 126 Ų | 126 | 101.1 Ų | 101.1 | 48% | 0.475 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 172.6 | -60.8 | -172.3 | -164.7 | 169 | 12 | 110.8 | E233 T234 P235 F236 K241 W242 A243 | E233-R239 IonicContact OE1-NH2 2.74Å; E233-R239 PolarHBondContact OE1-NH2 3.37Å; T234-R239 PolarHBondContact O-NE 2.75Å; T234-R239 PolarHBondContact O-NH2 3.4Å; T234-R239 PolarHBondContact OG1-NE 2.93Å; P235-R239 PolarHBondContact O-N 3.02Å; F236-R239 WeakPolarHBondContact O-CB 3.35Å; F236-R239 PolarHBondContact O-N 2.85Å; F236-R239 VanDerWaalsContact O-N 3.11Å; R239-K241 PolarHBondContact O-N 2.84Å; R239-W242 PolarHBondContact O-N 2.79Å; R239-A243 WeakPolarHBondContact O-CB 3.47Å; R239-A243 PolarHBondContact O-N 2.88Å |
| 240 | L | 70.7 | Confident | 76.5 | Confident | 66 Ų | 66 | 96.2 Ų | 96.2 | 35% | 0.346 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -57.6 | -46.6 | 174.3 | -117.8 | 133.4 | 0 | 0 | 0 | 112.1 | F236 I237 H238 W242 A243 Y247 | F236-L240 HydrophobicContact CD1-CD1 3.5Å; F236-L240 VanDerWaalsContact CD1-CD1 3.5Å; F236-L240 HydrophobicContact CE1-CD1 3.06Å; F236-L240 HydrophobicContact CE1-CG 4.44Å; F236-L240 HydrophobicContact CE2-CD1 4.25Å; F236-L240 HydrophobicContact CG-CD1 4.27Å; F236-L240 HydrophobicContact CZ-CD1 3.48Å; F236-L240 VanDerWaalsContact CZ-CD1 3.48Å; F236-L240 PolarHBondContact O-N 3.44Å; I237-L240 WeakPolarHBondContact O-CB 3.42Å; I237-L240 PolarHBondContact O-N 3.15Å; H238-L240 VanDerWaalsContact C-N 3.33Å; L240-W242 PolarHBondContact O-N 2.79Å; L240-A243 PolarHBondContact O-N 2.82Å; L240-A243 VanDerWaalsContact O-N 3.09Å; L240-Y247 HydrophobicContact CD2-CE2 4.08Å; L240-Y247 WeakPolarHBondContact CD2-OH 3.2Å; L240-Y247 WeakPolarHBondContact CG-OH 3.44Å; L240-Y247 WeakPolarHBondContact O-CE2 3.42Å |
| 241 | K | 77.8 | Confident | 77.2 | Confident | 147 Ų | 147 | 102.5 Ų | 102.5 | 64% | 0.639 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57.7 | -39.1 | 179.5 | -172.2 | 179 | 178.8 | -179.5 | 0 | 111.9 | I237 H238 R239 | I237-K241 WeakPolarHBondContact O-CB 3.42Å; I237-K241 PolarHBondContact O-N 3.49Å; H238-K241 PolarHBondContact O-N 2.82Å; R239-K241 PolarHBondContact O-N 2.84Å |
| 242 | W | 71.7 | Confident | 77.8 | Confident | 189 Ų | 189 | 101.6 Ų | 101.6 | 72% | 0.716 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -84.1 | -17.5 | 178.8 | -73.4 | 111.9 | 0 | 0 | 0 | 114 | H238 R239 L240 Y244 | H238-W242 VanDerWaalsContact O-CD1 3.26Å; H238-W242 PolarHBondContact O-N 2.63Å; R239-W242 PolarHBondContact O-N 2.79Å; L240-W242 PolarHBondContact O-N 2.79Å; W242-Y244 PolarHBondContact O-N 2.77Å; W242-Y244 VanDerWaalsContact O-N 3.09Å |
| 243 | A | 80.9 | Confident | 78.4 | Confident | 22 Ų | 22 | 105.1 Ų | 105.1 | 18% | 0.182 | 49% | 0.493 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 12 | 174 | 0 | 0 | 0 | 0 | 0 | 113.9 | R239 L240 I245 F246 Y247 | R239-A243 WeakPolarHBondContact O-CB 3.47Å; R239-A243 PolarHBondContact O-N 2.88Å; L240-A243 PolarHBondContact O-N 2.82Å; L240-A243 VanDerWaalsContact O-N 3.09Å; A243-I245 PolarHBondContact O-N 2.68Å; A243-I245 VanDerWaalsContact O-N 3.15Å; A243-F246 HydrophobicContact CB-CD2 4.15Å; A243-F246 WeakPolarHBondContact O-CA 3.28Å; A243-F246 WeakPolarHBondContact O-CB 3.26Å; A243-F246 PolarHBondContact O-N 2.8Å; A243-Y247 HydrophobicContact CB-CE2 4.22Å; A243-Y247 PolarHBondContact O-N 3.46Å; A243-Y247 VanDerWaalsContact O-N 3.16Å |
| 244 | Y | 81.4 | Confident | 79.1 | Confident | 121 Ų | 121 | 107.5 Ų | 107.5 | 48% | 0.475 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.3 | -31.6 | -179.1 | 89 | -86.7 | 0 | 0 | 0 | 113.6 | W242 F246 Y247 I248 | W242-Y244 PolarHBondContact O-N 2.77Å; W242-Y244 VanDerWaalsContact O-N 3.09Å; Y244-F246 VanDerWaalsContact C-N 3.29Å; Y244-F246 PolarHBondContact O-N 2.87Å; Y244-Y247 PolarHBondContact O-N 3.05Å; Y244-Y247 VanDerWaalsContact O-N 3.14Å; Y244-I248 HydrophobicContact CD2-CD1 3.56Å; Y244-I248 HydrophobicContact CD2-CG1 4.37Å; Y244-I248 HydrophobicContact CE2-CD1 3.68Å; Y244-I248 WeakPolarHBondContact O-CG1 3.47Å; Y244-I248 PolarHBondContact O-N 2.97Å |
| 245 | I | 81.5 | Confident | 80.1 | Confident | 110 Ų | 110 | 108.5 Ų | 108.5 | 56% | 0.564 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.9 | -39.8 | 173.4 | -77.8 | 162.8 | 0 | 0 | 0 | 111.1 | A243 I248 G249 | A243-I245 PolarHBondContact O-N 2.68Å; A243-I245 VanDerWaalsContact O-N 3.15Å; I245-I248 PolarHBondContact O-N 3.26Å; I245-G249 PolarHBondContact O-N 2.8Å |
| 246 | F | 83.1 | Confident | 80.8 | Confident | 152 Ų | 152 | 116.2 Ų | 116.2 | 67% | 0.667 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.2 | -37.6 | 174.4 | -67.4 | -72.3 | 0 | 0 | 0 | 111.5 | A243 Y244 G249 I250 | A243-F246 HydrophobicContact CB-CD2 4.15Å; A243-F246 WeakPolarHBondContact O-CA 3.28Å; A243-F246 WeakPolarHBondContact O-CB 3.26Å; A243-F246 PolarHBondContact O-N 2.8Å; Y244-F246 VanDerWaalsContact C-N 3.29Å; Y244-F246 PolarHBondContact O-N 2.87Å; F246-G249 PolarHBondContact O-N 2.85Å; F246-I250 WeakPolarHBondContact O-CB 3.45Å; F246-I250 VanDerWaalsContact O-CG1 3.27Å; F246-I250 WeakPolarHBondContact O-CG1 3.1Å; F246-I250 PolarHBondContact O-N 2.92Å |
| 247 | Y | 84.2 | Confident | 81.6 | Confident | 109 Ų | 109 | 112 Ų | 112 | 43% | 0.427 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -41.9 | 174.3 | -59.8 | -45.2 | 0 | 0 | 0 | 112.3 | L240 A243 Y244 I250 W251 | L240-Y247 HydrophobicContact CD2-CE2 4.08Å; L240-Y247 WeakPolarHBondContact CD2-OH 3.2Å; L240-Y247 WeakPolarHBondContact CG-OH 3.44Å; L240-Y247 WeakPolarHBondContact O-CE2 3.42Å; A243-Y247 HydrophobicContact CB-CE2 4.22Å; A243-Y247 PolarHBondContact O-N 3.46Å; A243-Y247 VanDerWaalsContact O-N 3.16Å; Y244-Y247 PolarHBondContact O-N 3.05Å; Y244-Y247 VanDerWaalsContact O-N 3.14Å; Y247-I250 PolarHBondContact O-N 2.79Å; Y247-W251 VanDerWaalsContact O-CB 3.27Å; Y247-W251 WeakPolarHBondContact O-CB 3.44Å; Y247-W251 PolarHBondContact O-N 2.85Å |
| 248 | I | 85.3 | Confident | 82.3 | Confident | 85 Ų | 85 | 110 Ų | 110 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 174.1 | -67.8 | 172.4 | 0 | 0 | 0 | 110.2 | Y244 I245 W251 I252 | Y244-I248 HydrophobicContact CD2-CD1 3.56Å; Y244-I248 HydrophobicContact CD2-CG1 4.37Å; Y244-I248 HydrophobicContact CE2-CD1 3.68Å; Y244-I248 WeakPolarHBondContact O-CG1 3.47Å; Y244-I248 PolarHBondContact O-N 2.97Å; I245-I248 PolarHBondContact O-N 3.26Å; I248-W251 WeakPolarHBondContact O-CB 3.45Å; I248-W251 PolarHBondContact O-N 2.75Å; I248-I252 HydrophobicContact CG2-CD1 3.89Å; I248-I252 HydrophobicContact CG2-CG1 4.46Å; I248-I252 WeakPolarHBondContact O-CG1 3.1Å; I248-I252 PolarHBondContact O-N 2.81Å |
| 249 | G | 86.4 | Confident | 82.9 | Confident | 29 Ų | 29 | 108.5 Ų | 108.5 | 30% | 0.299 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -48.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I245 F246 W251 I252 I253 | I245-G249 PolarHBondContact O-N 2.8Å; F246-G249 PolarHBondContact O-N 2.85Å; G249-W251 VanDerWaalsContact C-N 3.33Å; G249-W251 PolarHBondContact O-N 3.38Å; G249-I252 PolarHBondContact O-N 2.7Å; G249-I253 VanDerWaalsContact O-CG1 3.29Å; G249-I253 WeakPolarHBondContact O-CG1 3.34Å; G249-I253 PolarHBondContact O-N 2.97Å |
| 250 | I | 88.1 | Confident | 83.6 | Confident | 88 Ų | 88 | 110.5 Ų | 110.5 | 45% | 0.451 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 175 | -71 | 169.1 | 0 | 0 | 0 | 110.4 | F246 Y247 I252 I253 F254 | F246-I250 WeakPolarHBondContact O-CB 3.45Å; F246-I250 VanDerWaalsContact O-CG1 3.27Å; F246-I250 WeakPolarHBondContact O-CG1 3.1Å; F246-I250 PolarHBondContact O-N 2.92Å; Y247-I250 PolarHBondContact O-N 2.79Å; I250-I252 PolarHBondContact O-N 2.94Å; I250-I253 PolarHBondContact O-N 2.88Å; I250-F254 HydrophobicContact CG2-CD2 3.63Å; I250-F254 HydrophobicContact CG2-CE2 3.8Å; I250-F254 VanDerWaalsContact O-CD2 3.3Å; I250-F254 WeakPolarHBondContact O-CD2 3.44Å; I250-F254 PolarHBondContact O-N 3.36Å |
| 251 | W | 88.3 | Confident | 84.3 | Confident | 162 Ų | 162 | 112.2 Ų | 112.2 | 61% | 0.614 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.2 | -45.2 | 178.3 | -175.2 | 82.5 | 0 | 0 | 0 | 111.7 | Y247 I248 G249 I253 F254 Y255 | Y247-W251 VanDerWaalsContact O-CB 3.27Å; Y247-W251 WeakPolarHBondContact O-CB 3.44Å; Y247-W251 PolarHBondContact O-N 2.85Å; I248-W251 WeakPolarHBondContact O-CB 3.45Å; I248-W251 PolarHBondContact O-N 2.75Å; G249-W251 VanDerWaalsContact C-N 3.33Å; G249-W251 PolarHBondContact O-N 3.38Å; W251-I253 PolarHBondContact O-N 2.74Å; W251-F254 PolarHBondContact O-N 3.4Å; W251-Y255 AromaticContact CH2-CD2 3.84Å; W251-Y255 HydrophobicContact CH2-CD2 3.84Å; W251-Y255 HydrophobicContact CH2-CE2 4.01Å; W251-Y255 HydrophobicContact CH2-CG 4.32Å; W251-Y255 AromaticContact CZ2-CD2 3.6Å; W251-Y255 HydrophobicContact CZ2-CD2 3.6Å; W251-Y255 AromaticContact CZ2-CE2 3.89Å; W251-Y255 HydrophobicContact CZ2-CE2 3.89Å; W251-Y255 HydrophobicContact CZ2-CG 4.4Å; W251-Y255 HydrophobicContact CZ3-CD2 4.5Å; W251-Y255 WeakPolarHBondContact O-CB 3.33Å; W251-Y255 PolarHBondContact O-N 2.96Å |
| 252 | I | 86.5 | Confident | 84.5 | Confident | 101 Ų | 101 | 110.1 Ų | 110.1 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 176.4 | -67.4 | 166.9 | 0 | 0 | 0 | 111.2 | I248 G249 I250 F254 Y255 | I248-I252 HydrophobicContact CG2-CD1 3.89Å; I248-I252 HydrophobicContact CG2-CG1 4.46Å; I248-I252 WeakPolarHBondContact O-CG1 3.1Å; I248-I252 PolarHBondContact O-N 2.81Å; G249-I252 PolarHBondContact O-N 2.7Å; I250-I252 PolarHBondContact O-N 2.94Å; I252-F254 VanDerWaalsContact C-N 3.32Å; I252-F254 PolarHBondContact O-N 3.06Å; I252-Y255 PolarHBondContact O-N 2.7Å |
| 253 | I | 88.6 | Confident | 84.9 | Confident | 120 Ų | 120 | 108.4 Ų | 108.4 | 62% | 0.615 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.4 | -40.5 | -179.7 | -68.9 | 165.6 | 0 | 0 | 0 | 111.2 | G249 I250 W251 P257 | G249-I253 VanDerWaalsContact O-CG1 3.29Å; G249-I253 WeakPolarHBondContact O-CG1 3.34Å; G249-I253 PolarHBondContact O-N 2.97Å; I250-I253 PolarHBondContact O-N 2.88Å; W251-I253 PolarHBondContact O-N 2.74Å; I253-P257 WeakPolarHBondContact O-CD 3.12Å; I253-P257 VanDerWaalsContact O-CG 3.29Å; I253-P257 WeakPolarHBondContact O-CG 3.27Å |
| 254 | F | 88.6 | Confident | 84.8 | Confident | 124 Ų | 124 | 112 Ų | 112 | 54% | 0.544 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -84.6 | -24.9 | 179.4 | -77.9 | -71.9 | 0 | 0 | 0 | 114 | I250 W251 I252 W256 P257 I258 | I250-F254 HydrophobicContact CG2-CD2 3.63Å; I250-F254 HydrophobicContact CG2-CE2 3.8Å; I250-F254 VanDerWaalsContact O-CD2 3.3Å; I250-F254 WeakPolarHBondContact O-CD2 3.44Å; I250-F254 PolarHBondContact O-N 3.36Å; W251-F254 PolarHBondContact O-N 3.4Å; I252-F254 VanDerWaalsContact C-N 3.32Å; I252-F254 PolarHBondContact O-N 3.06Å; F254-W256 VanDerWaalsContact C-N 3.32Å; F254-W256 PolarHBondContact O-N 3.36Å; F254-P257 VanDerWaalsContact O-CD 3.27Å; F254-P257 WeakPolarHBondContact O-CD 3.32Å; F254-P257 WeakPolarHBondContact O-CG 3.32Å; F254-I258 HydrophobicContact CB-CD1 4.2Å; F254-I258 WeakPolarHBondContact O-CB 3.07Å; F254-I258 WeakPolarHBondContact O-CD1 3.11Å; F254-I258 WeakPolarHBondContact O-CG1 3.18Å; F254-I258 PolarHBondContact O-N 2.68Å |
| 255 | Y | 89.6 | Confident | 84.5 | Confident | 98 Ų | 98 | 108.1 Ų | 108.1 | 38% | 0.384 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | -178.6 | -177.3 | -97.6 | 0 | 0 | 0 | 111.9 | W251 I252 Q259 | W251-Y255 AromaticContact CH2-CD2 3.84Å; W251-Y255 HydrophobicContact CH2-CD2 3.84Å; W251-Y255 HydrophobicContact CH2-CE2 4.01Å; W251-Y255 HydrophobicContact CH2-CG 4.32Å; W251-Y255 AromaticContact CZ2-CD2 3.6Å; W251-Y255 HydrophobicContact CZ2-CD2 3.6Å; W251-Y255 AromaticContact CZ2-CE2 3.89Å; W251-Y255 HydrophobicContact CZ2-CE2 3.89Å; W251-Y255 HydrophobicContact CZ2-CG 4.4Å; W251-Y255 HydrophobicContact CZ3-CD2 4.5Å; W251-Y255 WeakPolarHBondContact O-CB 3.33Å; W251-Y255 PolarHBondContact O-N 2.96Å; I252-Y255 PolarHBondContact O-N 2.7Å; Y255-Q259 HydrophobicContact CD1-CG 4.37Å; Y255-Q259 HydrophobicContact CE1-CG 3.94Å; Y255-Q259 HydrophobicContact CE2-CG 4.4Å; Y255-Q259 WeakPolarHBondContact O-CB 3.36Å; Y255-Q259 PolarHBondContact O-N 3.5Å; Y255-Q259 PolarHBondContact OH-NE2 3.41Å |
| 256 | W | 82.9 | Confident | 83.9 | Confident | 210 Ų | 210 | 110.3 Ų | 110.3 | 80% | 0.795 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.4 | -52.9 | 179.2 | -113.9 | 25.4 | 0 | 0 | 0 | 114.8 | F254 I258 Q259 W260 | F254-W256 VanDerWaalsContact C-N 3.32Å; F254-W256 PolarHBondContact O-N 3.36Å; W256-I258 VanDerWaalsContact C-N 3.31Å; W256-I258 PolarHBondContact O-N 2.71Å; W256-Q259 PolarHBondContact O-N 2.79Å; W256-W260 WeakPolarHBondContact O-CB 3.33Å; W256-W260 PolarHBondContact O-N 3.34Å |
| 257 | P | 86.9 | Confident | 83 | Confident | 64 Ų | 64 | 110.3 Ų | 110.3 | 42% | 0.416 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.9 | -34.1 | 177.2 | 22.5 | -31.3 | 0 | 0 | 0 | 112 | I253 F254 W260 L261 | I253-P257 WeakPolarHBondContact O-CD 3.12Å; I253-P257 VanDerWaalsContact O-CG 3.29Å; I253-P257 WeakPolarHBondContact O-CG 3.27Å; F254-P257 VanDerWaalsContact O-CD 3.27Å; F254-P257 WeakPolarHBondContact O-CD 3.32Å; F254-P257 WeakPolarHBondContact O-CG 3.32Å; P257-W260 PolarHBondContact O-N 2.85Å; P257-L261 VanDerWaalsContact O-CB 3.26Å; P257-L261 WeakPolarHBondContact O-CB 3.46Å; P257-L261 PolarHBondContact O-N 2.79Å |
| 258 | I | 86.2 | Confident | 81.7 | Confident | 92 Ų | 92 | 111.6 Ų | 111.6 | 47% | 0.472 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.4 | -46.1 | 175.1 | -68.3 | 168.4 | 0 | 0 | 0 | 110.9 | F254 W256 W260 L261 Q262 | F254-I258 HydrophobicContact CB-CD1 4.2Å; F254-I258 WeakPolarHBondContact O-CB 3.07Å; F254-I258 WeakPolarHBondContact O-CD1 3.11Å; F254-I258 WeakPolarHBondContact O-CG1 3.18Å; F254-I258 PolarHBondContact O-N 2.68Å; W256-I258 VanDerWaalsContact C-N 3.31Å; W256-I258 PolarHBondContact O-N 2.71Å; I258-W260 VanDerWaalsContact C-N 3.31Å; I258-W260 PolarHBondContact O-N 2.87Å; I258-L261 PolarHBondContact O-N 3.29Å; I258-Q262 HydrophobicContact CG2-CG 4.48Å; I258-Q262 WeakPolarHBondContact O-CB 3.39Å; I258-Q262 WeakPolarHBondContact O-CG 3.32Å; I258-Q262 PolarHBondContact O-N 2.82Å |
| 259 | Q | 82.9 | Confident | 80.3 | Confident | 63 Ų | 63 | 115.6 Ų | 115.6 | 29% | 0.294 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 175.1 | -85.9 | -145.8 | -28.8 | 0 | 0 | 112.1 | Y255 W256 Q262 R263 | Y255-Q259 HydrophobicContact CD1-CG 4.37Å; Y255-Q259 HydrophobicContact CE1-CG 3.94Å; Y255-Q259 HydrophobicContact CE2-CG 4.4Å; Y255-Q259 WeakPolarHBondContact O-CB 3.36Å; Y255-Q259 PolarHBondContact O-N 3.5Å; Y255-Q259 PolarHBondContact OH-NE2 3.41Å; W256-Q259 PolarHBondContact O-N 2.79Å; Q259-Q262 PolarHBondContact O-N 3.18Å; Q259-R263 WeakPolarHBondContact O-CB 3.38Å; Q259-R263 PolarHBondContact O-N 2.78Å |
| 260 | W | 84.4 | Confident | 78.6 | Confident | 168 Ų | 168 | 120 Ų | 120 | 64% | 0.636 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 175.8 | 180 | 80.8 | 0 | 0 | 0 | 111.3 | W256 P257 I258 R263 W264 | W256-W260 WeakPolarHBondContact O-CB 3.33Å; W256-W260 PolarHBondContact O-N 3.34Å; P257-W260 PolarHBondContact O-N 2.85Å; I258-W260 VanDerWaalsContact C-N 3.31Å; I258-W260 PolarHBondContact O-N 2.87Å; W260-R263 PolarHBondContact O-N 3.22Å; W260-W264 VanDerWaalsContact O-CB 3.3Å; W260-W264 WeakPolarHBondContact O-CB 3.14Å; W260-W264 PolarHBondContact O-N 3.42Å |
| 261 | L | 84.6 | Confident | 76.8 | Confident | 102 Ų | 102 | 122.4 Ų | 122.4 | 53% | 0.534 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 176.9 | -158.6 | 107.6 | 0 | 0 | 0 | 111.4 | P257 I258 W264 V265 | P257-L261 VanDerWaalsContact O-CB 3.26Å; P257-L261 WeakPolarHBondContact O-CB 3.46Å; P257-L261 PolarHBondContact O-N 2.79Å; I258-L261 PolarHBondContact O-N 3.29Å; L261-W264 PolarHBondContact O-N 3.44Å; L261-V265 WeakPolarHBondContact O-CB 3.46Å; L261-V265 VanDerWaalsContact O-CG2 3.28Å; L261-V265 WeakPolarHBondContact O-CG2 3.36Å; L261-V265 PolarHBondContact O-N 3.02Å |
| 262 | Q | 82.8 | Confident | 74.8 | Confident | 104 Ų | 104 | 119.9 Ų | 119.9 | 49% | 0.486 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.3 | -49.9 | 174.4 | -78.5 | -177.7 | -18.3 | 0 | 0 | 111 | I258 Q259 W264 V265 F266 | I258-Q262 HydrophobicContact CG2-CG 4.48Å; I258-Q262 WeakPolarHBondContact O-CB 3.39Å; I258-Q262 WeakPolarHBondContact O-CG 3.32Å; I258-Q262 PolarHBondContact O-N 2.82Å; Q259-Q262 PolarHBondContact O-N 3.18Å; Q262-W264 VanDerWaalsContact C-N 3.3Å; Q262-W264 PolarHBondContact O-N 2.83Å; Q262-V265 PolarHBondContact O-N 3.5Å; Q262-F266 HydrophobicContact CB-CD2 4.36Å; Q262-F266 WeakPolarHBondContact O-CB 3.38Å; Q262-F266 WeakPolarHBondContact O-CD2 3.46Å; Q262-F266 PolarHBondContact O-N 3.25Å |
| 263 | R | 79 | Confident | 73 | Confident | 152 Ų | 152 | 121.2 Ų | 121.2 | 57% | 0.574 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.3 | -44.2 | 175.1 | -78.9 | -175 | -176.7 | 168 | 1.8 | 111.4 | Q259 W260 V265 F266 E267 | Q259-R263 WeakPolarHBondContact O-CB 3.38Å; Q259-R263 PolarHBondContact O-N 2.78Å; W260-R263 PolarHBondContact O-N 3.22Å; R263-V265 PolarHBondContact O-N 3.49Å; R263-F266 PolarHBondContact O-N 3.19Å; R263-E267 WeakPolarHBondContact O-CA 3.26Å; R263-E267 WeakPolarHBondContact O-CB 3.37Å; R263-E267 WeakPolarHBondContact O-CG 3.48Å; R263-E267 PolarHBondContact O-N 3.07Å |
| 264 | W | 79.2 | Confident | 70.9 | Confident | 99 Ų | 99 | 124.8 Ų | 124.8 | 38% | 0.375 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.1 | -44.8 | 178.8 | -169.2 | 90.6 | 0 | 0 | 0 | 112.3 | W260 L261 Q262 K268 | W260-W264 VanDerWaalsContact O-CB 3.3Å; W260-W264 WeakPolarHBondContact O-CB 3.14Å; W260-W264 PolarHBondContact O-N 3.42Å; L261-W264 PolarHBondContact O-N 3.44Å; Q262-W264 VanDerWaalsContact C-N 3.3Å; Q262-W264 PolarHBondContact O-N 2.83Å; W264-K268 VanDerWaalsContact O-CB 3.22Å; W264-K268 WeakPolarHBondContact O-CB 3.48Å; W264-K268 PolarHBondContact O-N 2.89Å |
| 265 | V | 75.1 | Confident | 68.7 | Low | 38 Ų | 38 | 125.2 Ų | 125.2 | 23% | 0.23 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -68.3 | -43.8 | 178.9 | 171.3 | 0 | 0 | 0 | 0 | 111.8 | L261 Q262 R263 L271 | L261-V265 WeakPolarHBondContact O-CB 3.46Å; L261-V265 VanDerWaalsContact O-CG2 3.28Å; L261-V265 WeakPolarHBondContact O-CG2 3.36Å; L261-V265 PolarHBondContact O-N 3.02Å; Q262-V265 PolarHBondContact O-N 3.5Å; R263-V265 PolarHBondContact O-N 3.49Å; V265-L271 HydrophobicContact CG1-CD1 3.66Å; V265-L271 HydrophobicContact CG1-CG 4.5Å |
| 266 | F | 68.8 | Low | 66.2 | Low | 157 Ų | 157 | 127.9 Ų | 127.9 | 69% | 0.689 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -83.5 | -36.5 | -174.8 | -74.5 | -72 | 0 | 0 | 0 | 113.7 | Q262 R263 | Q262-F266 HydrophobicContact CB-CD2 4.36Å; Q262-F266 WeakPolarHBondContact O-CB 3.38Å; Q262-F266 WeakPolarHBondContact O-CD2 3.46Å; Q262-F266 PolarHBondContact O-N 3.25Å; R263-F266 PolarHBondContact O-N 3.19Å |
| 267 | E | 64.5 | Low | 64 | Low | 152 Ų | 152 | 124.5 Ų | 124.5 | 71% | 0.71 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -78 | -33 | 176.7 | -69.8 | -179.7 | 147.4 | 0 | 0 | 112.5 | R263 R269 | R263-E267 WeakPolarHBondContact O-CA 3.26Å; R263-E267 WeakPolarHBondContact O-CB 3.37Å; R263-E267 WeakPolarHBondContact O-CG 3.48Å; R263-E267 PolarHBondContact O-N 3.07Å; E267-R269 VanDerWaalsContact C-N 3.29Å; E267-R269 PolarHBondContact O-N 2.75Å |
| 268 | K | 57.7 | Low | 61.8 | Low | 136 Ų | 136 | 126 Ų | 126 | 59% | 0.591 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 8.8 | 177.2 | -68.8 | -157.9 | 170.8 | -168.9 | 0 | 115 | W264 Q270 | W264-K268 VanDerWaalsContact O-CB 3.22Å; W264-K268 WeakPolarHBondContact O-CB 3.48Å; W264-K268 PolarHBondContact O-N 2.89Å; K268-Q270 PolarHBondContact O-N 2.79Å |
| 269 | R | 54.8 | Low | 59.3 | Low | 169 Ų | 169 | 130.4 Ų | 130.4 | 64% | 0.638 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.1 | 28.3 | 174 | -86.1 | -166.9 | 176.9 | -156.8 | -0.6 | 114.9 | E267 L271 M272 | E267-R269 VanDerWaalsContact C-N 3.29Å; E267-R269 PolarHBondContact O-N 2.75Å; R269-L271 PolarHBondContact O-N 3.07Å; R269-L271 VanDerWaalsContact O-N 3.14Å; R269-M272 HydrophobicContact CB-CB 4.2Å; R269-M272 HydrophobicContact CG-CB 4.07Å; R269-M272 HydrophobicContact CG-SD 4.24Å; R269-M272 PolarHBondContact O-N 3.19Å |
| 270 | Q | 51.9 | Low | 57.1 | Low | 122 Ų | 122 | 136.1 Ų | 136.1 | 57% | 0.57 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -16.4 | -180 | -75.1 | -143.5 | -29.2 | 0 | 0 | 113.2 | K268 | K268-Q270 PolarHBondContact O-N 2.79Š|
| 271 | L | 49.6 | Very low | 54.8 | Low | 137 Ų | 137 | 136.8 Ų | 136.8 | 72% | 0.717 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -4.8 | 173.3 | -71.8 | 163.6 | 0 | 0 | 0 | 114.1 | V265 R269 | V265-L271 HydrophobicContact CG1-CD1 3.66Å; V265-L271 HydrophobicContact CG1-CG 4.5Å; R269-L271 PolarHBondContact O-N 3.07Å; R269-L271 VanDerWaalsContact O-N 3.14Å |
| 272 | M | 46.8 | Very low | 52.9 | Low | 110 Ų | 110 | 140.3 Ų | 140.3 | 54% | 0.542 | 65% | 0.651 | S | S | . | * | trans | -99.6 | 26 | 174.3 | -89.2 | -169.3 | -177.2 | 0 | 0 | 112.6 | R269 Y274 | R269-M272 HydrophobicContact CB-CB 4.2Å; R269-M272 HydrophobicContact CG-CB 4.07Å; R269-M272 HydrophobicContact CG-SD 4.24Å; R269-M272 PolarHBondContact O-N 3.19Å; M272-Y274 PolarHBondContact O-N 3.38Å | ||
| 273 | I | 49 | Very low | 51 | Low | 129 Ų | 129 | 138.7 Ų | 138.7 | 66% | 0.662 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 35.2 | 169.4 | -51.1 | 173.5 | 0 | 0 | 0 | 109.6 | ||
| 274 | Y | 44 | Very low | 49.2 | Very low | 195 Ų | 195 | 135.4 Ų | 135.4 | 77% | 0.765 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.1 | 24 | 168.4 | -130.9 | -85.9 | 0 | 0 | 0 | 112.9 | M272 | M272-Y274 PolarHBondContact O-N 3.38Š|
| 275 | D | 42.6 | Very low | 47.9 | Very low | 132 Ų | 132 | 134.3 Ų | 134.3 | 71% | 0.706 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -107.9 | 10 | 167.8 | -85.9 | -19.3 | 0 | 0 | 0 | 112.7 | ||
| 276 | N | 36 | Very low | 46.9 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 82% | 0.824 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -93 | 16.4 | 175.1 | -86.4 | -2.8 | 0 | 0 | 0 | 114.2 | ||
| 277 | L | 37.6 | Very low | 46.1 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 73% | 0.728 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -130.9 | 96.7 | 171.3 | -75.9 | 166.7 | 0 | 0 | 0 | 109.4 | ||
| 278 | V | 39.7 | Very low | 45.2 | Very low | 97 Ų | 97 | 136 Ų | 136 | 59% | 0.588 | 67% | 0.667 | S | S | * | * | trans | 131.1 | 85.1 | 154.7 | -175.6 | 0 | 0 | 0 | 0 | 108.9 | F280 | V278-F280 HydrophobicContact CB-CD2 4.31Å; V278-F280 HydrophobicContact CB-CE2 4.28Å; V278-F280 HydrophobicContact CG1-CD1 4.3Å; V278-F280 HydrophobicContact CG1-CD2 3.45Å; V278-F280 VanDerWaalsContact CG1-CD2 3.45Å; V278-F280 HydrophobicContact CG1-CE1 4.38Å; V278-F280 HydrophobicContact CG1-CE2 3.55Å; V278-F280 HydrophobicContact CG1-CG 3.85Å; V278-F280 HydrophobicContact CG1-CZ 4.03Å; V278-F280 PolarHBondContact O-N 2.7Å | ||
| 279 | E | 33.6 | Very low | 44.8 | Very low | 184 Ų | 184 | 136 Ų | 136 | 86% | 0.86 | 67% | 0.672 | S | S | * | * | trans | -54.7 | 97.7 | 144.1 | -81.5 | -175.6 | 158.8 | 0 | 0 | 106.6 | K281 | E279-K281 PolarHBondContact O-N 3.29Š| ||
| 280 | F | 38.2 | Very low | 44.5 | Very low | 182 Ų | 182 | 133.8 Ų | 133.8 | 80% | 0.798 | 67% | 0.673 | S | S | * | * | trans | -65.5 | 87.6 | 157.3 | -84.6 | -82.5 | 0 | 0 | 0 | 105.9 | V278 Q282 | V278-F280 HydrophobicContact CB-CD2 4.31Å; V278-F280 HydrophobicContact CB-CE2 4.28Å; V278-F280 HydrophobicContact CG1-CD1 4.3Å; V278-F280 HydrophobicContact CG1-CD2 3.45Å; V278-F280 VanDerWaalsContact CG1-CD2 3.45Å; V278-F280 HydrophobicContact CG1-CE1 4.38Å; V278-F280 HydrophobicContact CG1-CE2 3.55Å; V278-F280 HydrophobicContact CG1-CG 3.85Å; V278-F280 HydrophobicContact CG1-CZ 4.03Å; V278-F280 PolarHBondContact O-N 2.7Å; F280-Q282 VanDerWaalsContact C-N 3.28Å; F280-Q282 PolarHBondContact O-N 3.24Å | ||
| 281 | K | 35 | Very low | 44.4 | Very low | 183 Ų | 183 | 134.7 Ų | 134.7 | 80% | 0.796 | 68% | 0.677 | S | S | * | * | trans | -52.3 | 103.3 | 154.3 | -113.2 | 179.7 | 179.4 | 175 | 0 | 105.4 | E279 P283 | E279-K281 PolarHBondContact O-N 3.29Å; K281-P283 VanDerWaalsContact O-CD 3.25Å; K281-P283 WeakPolarHBondContact O-CD 3.25Å | ||
| 282 | Q | 44.7 | Very low | 44.3 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 82% | 0.822 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 117.3 | 163.8 | -80.5 | -177 | -21 | 0 | 0 | 106.2 | F280 | F280-Q282 VanDerWaalsContact C-N 3.28Å; F280-Q282 PolarHBondContact O-N 3.24Å |
| 283 | P | 43.4 | Very low | 44.3 | Very low | 69 Ų | 69 | 137.1 Ų | 137.1 | 45% | 0.448 | 69% | 0.685 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 137.2 | 170.8 | 26.8 | -31.8 | 0 | 0 | 0 | 106.9 | K281 A285 Y288 | K281-P283 VanDerWaalsContact O-CD 3.25Å; K281-P283 WeakPolarHBondContact O-CD 3.25Å; P283-A285 PolarHBondContact O-N 2.82Å; P283-Y288 HydrophobicContact CG-CE2 3.93Å |
| 284 | P | 41.3 | Very low | 44.3 | Very low | 83 Ų | 83 | 137.9 Ų | 137.9 | 54% | 0.539 | 69% | 0.69 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 139.8 | 178.3 | 23.7 | -32.3 | 0 | 0 | 0 | 109.3 | H286 V287 | P284-H286 PolarHBondContact O-N 3.07Å; P284-V287 PolarHBondContact O-N 2.95Å |
| 285 | A | 52.3 | Low | 44.2 | Very low | 77 Ų | 77 | 136.6 Ų | 136.6 | 64% | 0.636 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 8.5 | -171 | 0 | 0 | 0 | 0 | 0 | 116 | P283 | P283-A285 PolarHBondContact O-N 2.82Š|
| 286 | H | 53.7 | Low | 44.3 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 67% | 0.667 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.8 | -7.2 | -175.3 | -36 | -48.4 | 0 | 0 | 0 | 113.1 | P284 | P284-H286 PolarHBondContact O-N 3.07Š|
| 287 | V | 52.8 | Low | 44.7 | Very low | 81 Ų | 81 | 144.1 Ų | 144.1 | 49% | 0.491 | 71% | 0.706 | S | S | . | * | S | Bend | trans | -89.6 | -24.7 | -178.3 | -176.8 | 0 | 0 | 0 | 0 | 112.7 | P284 L289 | P284-V287 PolarHBondContact O-N 2.95Å; V287-L289 PolarHBondContact O-N 2.85Å |
| 288 | Y | 45 | Very low | 45 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -81.2 | -12.1 | -178.1 | -73.3 | -75.7 | 0 | 0 | 0 | 115.2 | P283 | P283-Y288 HydrophobicContact CG-CE2 3.93Å |
| 289 | L | 48.8 | Very low | 45.3 | Very low | 135 Ų | 135 | 146.9 Ų | 146.9 | 71% | 0.707 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -88.6 | -15.6 | 178 | -93.3 | 158.8 | 0 | 0 | 0 | 114.2 | V287 | V287-L289 PolarHBondContact O-N 2.85Å |
| 290 | N | 48.7 | Very low | 46 | Very low | 122 Ų | 122 | 144.8 Ų | 144.8 | 65% | 0.652 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -98.6 | -10.7 | -179 | -79.6 | -11.4 | 0 | 0 | 0 | 114.5 | ||
| 291 | Q | 49.6 | Very low | 46.5 | Very low | 141 Ų | 141 | 142.4 Ų | 142.4 | 66% | 0.659 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -91.5 | -24.3 | 174 | -79.9 | -175.4 | -37.6 | 0 | 0 | 113.6 | K293 | Q291-K293 VanDerWaalsContact C-N 3.3Å; Q291-K293 PolarHBondContact O-N 3.12Å |
| 292 | L | 47.1 | Very low | 47.3 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 69% | 0.691 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -3.5 | 175.1 | -83 | 160 | 0 | 0 | 0 | 114.3 | ||
| 293 | K | 47.8 | Very low | 47.5 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 72% | 0.722 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 0.2 | 179.8 | -144.5 | 179.2 | -177.1 | -178.1 | 0 | 114.2 | Q291 | Q291-K293 VanDerWaalsContact C-N 3.3Å; Q291-K293 PolarHBondContact O-N 3.12Å |
| 294 | N | 47.8 | Very low | 47.8 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 78% | 0.775 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -118.3 | 10.5 | 179 | -77 | -7.5 | 0 | 0 | 0 | 113.4 | ||
| 295 | E | 42.3 | Very low | 48.3 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 79% | 0.79 | 71% | 0.712 | S | S | * | * | trans | -121.1 | 17.2 | 173.3 | -72.8 | -168.2 | 159.1 | 0 | 0 | 113.5 | ||||
| 296 | W | 44.2 | Very low | 48 | Very low | 298 Ų | 298 | 153.7 Ų | 153.7 | 100% | 1.129 | 72% | 0.718 | S | S | * | * | trans | -135.5 | 0 | 170.1 | -76.1 | 65.6 | 0 | 0 | 0 | 110.7 |
Retrieved 296 of 296 residues in 511.3 ms
(Link to these results)