| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 84.4 | Confident | 92.1 | Very high | 107 Ų | 107 | 77.9 Ų | 77.9 | 53% | 0.527 | 38% | 0.377 | S | S | . | . | 0 | 156.1 | 0 | -168.9 | 64.1 | 90.8 | 0 | 0 | 110.7 | Y3 R78 E83 | M1-Y3 HydrophobicContact CB-CE2 3.71Å; M1-Y3 HydrophobicContact CG-CE1 4.47Å; M1-Y3 HydrophobicContact CG-CE2 4.25Å; M1-R78 PolarHBondContact N-O 3.21Å; M1-R78 PolarHBondContact O-N 2.85Å; M1-E83 VanDerWaalsContact CA-OE1 3.23Å; M1-E83 WeakPolarHBondContact CA-OE1 3.38Å; M1-E83 VanDerWaalsContact CB-OE1 3.26Å; M1-E83 WeakPolarHBondContact CB-OE1 3.47Å; M1-E83 VanDerWaalsContact N-CD 3.27Å; M1-E83 PolarHBondContact N-OE1 2.74Å; M1-E83 PolarHBondContact N-OE2 2.84Å | |||
| 2 | F | 87.1 | Confident | 92.1 | Very high | 100 Ų | 100 | 77.8 Ų | 77.8 | 44% | 0.439 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 140.3 | 171.5 | -62.1 | -77.1 | 0 | 0 | 0 | 111.6 | I46 I75 V76 F77 | F2-I46 HydrophobicContact CD1-CD1 3.42Å; F2-I46 VanDerWaalsContact CD1-CD1 3.42Å; F2-I46 HydrophobicContact CE1-CD1 3.29Å; F2-I75 HydrophobicContact CD1-CG2 4.46Å; F2-V76 CarbonylContact C-O 3.51Å; F2-V76 WeakPolarHBondContact CA-O 3.1Å; F2-F77 HydrophobicContact CD1-CB 4.02Å; F2-F77 AromaticContact CD1-CD2 3.69Å; F2-F77 HydrophobicContact CD1-CD2 3.69Å; F2-F77 HydrophobicContact CD1-CG 4.32Å; F2-F77 HydrophobicContact CD2-CD2 4.46Å; F2-F77 HydrophobicContact CE1-CB 3.95Å; F2-F77 AromaticContact CE1-CD2 3.47Å; F2-F77 HydrophobicContact CE1-CD2 3.47Å; F2-F77 VanDerWaalsContact CE1-CD2 3.47Å; F2-F77 HydrophobicContact CE1-CE2 4.33Å; F2-F77 HydrophobicContact CE1-CG 4.02Å; F2-F77 HydrophobicContact CE2-CD2 4.29Å; F2-F77 HydrophobicContact CE2-CE2 4.49Å; F2-F77 HydrophobicContact CG-CD2 4.18Å; F2-F77 AromaticContact CZ-CD2 3.81Å; F2-F77 HydrophobicContact CZ-CD2 3.81Å; F2-F77 HydrophobicContact CZ-CE2 4.23Å |
| 3 | Y | 91.3 | Very high | 92 | Very high | 92 Ų | 92 | 71.9 Ų | 71.9 | 36% | 0.361 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 141.1 | -179.8 | -63.4 | -81.6 | 0 | 0 | 0 | 110.9 | M1 I75 V76 R78 F80 | M1-Y3 HydrophobicContact CB-CE2 3.71Å; M1-Y3 HydrophobicContact CG-CE1 4.47Å; M1-Y3 HydrophobicContact CG-CE2 4.25Å; Y3-I75 CarbonylContact O-C 3.59Å; Y3-I75 WeakPolarHBondContact O-CA 3.43Å; Y3-V76 PolarHBondContact N-O 2.82Å; Y3-V76 PolarHBondContact O-N 2.81Å; Y3-R78 HydrophobicContact CD2-CB 4.33Å; Y3-R78 HydrophobicContact CE2-CB 4.3Å; Y3-F80 AromaticContact CE2-CE2 3.8Å; Y3-F80 HydrophobicContact CE2-CE2 3.8Å; Y3-F80 HydrophobicContact CE2-CZ 4.41Å; Y3-F80 AromaticContact CZ-CE2 3.84Å; Y3-F80 WeakPolarHBondContact OH-CE2 3.45Å |
| 4 | H | 93.3 | Very high | 91.9 | Very high | 108 Ų | 108 | 72.9 Ų | 72.9 | 50% | 0.5 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 108.1 | 169.6 | -178.2 | -111.4 | 0 | 0 | 0 | 108.5 | ||
| 5 | I | 93.7 | Very high | 91.5 | Very high | 50 Ų | 50 | 71.6 Ų | 71.6 | 26% | 0.256 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 152.5 | -173.2 | 59.1 | 168.8 | 0 | 0 | 0 | 111.5 | L7 Y42 K73 A74 V76 | I5-L7 HydrophobicContact CD1-CD1 4.29Å; I5-L7 HydrophobicContact CD1-CD2 3.7Å; I5-L7 HydrophobicContact CD1-CG 4.02Å; I5-L7 HydrophobicContact CG1-CD1 4.48Å; I5-L7 HydrophobicContact CG1-CD2 4.34Å; I5-L7 HydrophobicContact CG1-CG 4.15Å; I5-Y42 HydrophobicContact CD1-CD1 3.86Å; I5-Y42 HydrophobicContact CD1-CG 4.44Å; I5-K73 WeakPolarHBondContact O-CA 3.34Å; I5-A74 PolarHBondContact N-O 2.84Å; I5-A74 VanDerWaalsContact N-O 3.07Å; I5-A74 PolarHBondContact O-N 3.43Å; I5-V76 HydrophobicContact CD1-CG1 4.01Å; I5-V76 HydrophobicContact CD1-CG2 3.67Å; I5-V76 HydrophobicContact CG1-CG1 4.05Å; I5-V76 HydrophobicContact CG1-CG2 3.87Å |
| 6 | S | 94.8 | Very high | 91.2 | Very high | 80 Ų | 80 | 80.2 Ų | 80.2 | 56% | 0.559 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 130.4 | 169 | -64.7 | 0 | 0 | 0 | 0 | 110.1 | Y72 | S6-Y72 CarbonylContact C-O 3.52Å; S6-Y72 WeakPolarHBondContact CA-O 3.37Å |
| 7 | L | 93.9 | Very high | 90.8 | Very high | 11 Ų | 11 | 83.2 Ų | 83.2 | 6% | 0.058 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 158.7 | 178.6 | -66.9 | 175.5 | 0 | 0 | 0 | 110 | I5 Y42 V45 K71 Y72 A74 V76 | I5-L7 HydrophobicContact CD1-CD1 4.29Å; I5-L7 HydrophobicContact CD1-CD2 3.7Å; I5-L7 HydrophobicContact CD1-CG 4.02Å; I5-L7 HydrophobicContact CG1-CD1 4.48Å; I5-L7 HydrophobicContact CG1-CD2 4.34Å; I5-L7 HydrophobicContact CG1-CG 4.15Å; L7-Y42 HydrophobicContact CD2-CD1 3.65Å; L7-Y42 HydrophobicContact CD2-CD2 3.92Å; L7-Y42 HydrophobicContact CD2-CE1 3.72Å; L7-Y42 HydrophobicContact CD2-CE2 4.01Å; L7-Y42 HydrophobicContact CD2-CG 3.75Å; L7-V45 HydrophobicContact CD1-CG2 4.4Å; L7-K71 WeakPolarHBondContact O-CA 3.47Å; L7-Y72 HydrophobicContact CB-CD1 4.46Å; L7-Y72 HydrophobicContact CB-CE1 3.84Å; L7-Y72 HydrophobicContact CB-CE2 3.99Å; L7-Y72 HydrophobicContact CD1-CE2 4.19Å; L7-Y72 PolarHBondContact N-O 2.94Å; L7-Y72 WeakPolarHBondContact O-CD1 3.31Å; L7-Y72 PolarHBondContact O-N 2.87Å; L7-Y72 VanDerWaalsContact O-O 3.13Å; L7-A74 HydrophobicContact CD1-CB 4.3Å; L7-V76 HydrophobicContact CD1-CG1 4.16Å |
| 8 | E | 93.6 | Very high | 90.4 | Very high | 135 Ų | 135 | 83.6 Ų | 83.6 | 63% | 0.631 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122 | 131.7 | 175.9 | -53.5 | -169.2 | 168.7 | 0 | 0 | 108.2 | V70 K71 | E8-V70 WeakPolarHBondContact CA-O 3.29Å; E8-K71 HydrophobicContact CG-CD 4.33Å; E8-K71 HydrophobicContact CG-CG 4.05Å; E8-K71 WeakPolarHBondContact OE1-CD 3.01Å; E8-K71 WeakPolarHBondContact OE1-CE 3.46Å; E8-K71 IonicContact OE1-NZ 2.86Å; E8-K71 PolarHBondContact OE1-NZ 3.05Å |
| 9 | H | 93.9 | Very high | 90.1 | Very high | 53 Ų | 53 | 81.3 Ų | 81.3 | 25% | 0.245 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 142.1 | 177.2 | -174 | 67.5 | 0 | 0 | 0 | 110.3 | L30 E33 V34 V70 Y72 | H9-L30 HydrophobicContact CB-CD1 3.99Å; H9-E33 IonicContact CD2-OE2 3.83Å; H9-E33 IonicContact CE1-OE2 3.92Å; H9-E33 IonicContact NE2-OE2 3.81Å; H9-E33 PolarHBondContact NE2-OE2 2.87Å; H9-V34 HydrophobicContact CB-CG1 4.23Å; H9-V70 PolarHBondContact N-O 3.18Å; H9-V70 PolarHBondContact O-N 3.48Å; H9-Y72 HydrophobicContact CB-CD1 4.47Å; H9-Y72 HydrophobicContact CB-CE1 3.58Å |
| 10 | E | 93.9 | Very high | 89.9 | Confident | 121 Ų | 121 | 84.2 Ų | 84.2 | 57% | 0.565 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 114.2 | -177.2 | -66.4 | -172.4 | 149.3 | 0 | 0 | 110.1 | L67 | E10-L67 HydrophobicContact CB-CD1 4.3Å; E10-L67 HydrophobicContact CB-CD2 3.72Å; E10-L67 HydrophobicContact CB-CG 4.02Å; E10-L67 HydrophobicContact CG-CD2 3.77Å |
| 11 | I | 93.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 85 Ų | 85 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 118.8 | -177.9 | -64.4 | 176.3 | 0 | 0 | 0 | 109.8 | V26 K29 L30 L67 Y68 V70 | I11-V26 HydrophobicContact CD1-CG1 3.75Å; I11-V26 VanDerWaalsContact CD1-O 3.29Å; I11-V26 WeakPolarHBondContact CD1-O 3.46Å; I11-K29 HydrophobicContact CG2-CB 4.25Å; I11-K29 HydrophobicContact CG2-CD 3.79Å; I11-K29 HydrophobicContact CG2-CG 3.97Å; I11-L30 HydrophobicContact CD1-CB 3.62Å; I11-L30 HydrophobicContact CD1-CD1 3.87Å; I11-L30 HydrophobicContact CD1-CG 4.33Å; I11-L30 HydrophobicContact CG1-CD1 4.49Å; I11-L67 WeakPolarHBondContact O-CA 3.4Å; I11-Y68 PolarHBondContact N-O 3.37Å; I11-Y68 PolarHBondContact O-N 2.92Å; I11-V70 HydrophobicContact CD1-CG2 4.07Å |
| 12 | L | 91.8 | Very high | 90 | Very high | 77 Ų | 77 | 81.8 Ų | 81.8 | 40% | 0.403 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 118.7 | 172.2 | -71.2 | 168.5 | 0 | 0 | 0 | 110.3 | K29 L67 | L12-K29 PolarHBondContact O-NZ 2.98Å; L12-L67 HydrophobicContact CD2-CB 4Å; L12-L67 HydrophobicContact CD2-CD1 4.08Å; L12-L67 HydrophobicContact CD2-CG 4.14Å |
| 13 | L | 91.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 81.8 Ų | 81.8 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 135.6 | 179.9 | -158.1 | 71.1 | 0 | 0 | 0 | 111.6 | Y17 F18 L22 T25 V26 K29 V66 Y68 | L13-Y17 HydrophobicContact CD1-CD2 4.09Å; L13-Y17 HydrophobicContact CD1-CG 4.29Å; L13-Y17 HydrophobicContact CG-CD2 4.43Å; L13-F18 HydrophobicContact CB-CE1 4.49Å; L13-F18 HydrophobicContact CD2-CD1 4.08Å; L13-F18 HydrophobicContact CD2-CE1 3.97Å; L13-F18 HydrophobicContact CG-CE1 4.44Å; L13-L22 HydrophobicContact CD2-CD1 3.25Å; L13-T25 HydrophobicContact CD1-CG2 3.98Å; L13-V26 HydrophobicContact CD2-CG2 4.21Å; L13-K29 HydrophobicContact CD1-CD 4.17Å; L13-V66 PolarHBondContact N-O 3.02Å; L13-V66 PolarHBondContact O-N 3.02Å; L13-Y68 HydrophobicContact CB-CD2 4.29Å; L13-Y68 HydrophobicContact CB-CE2 4.27Å; L13-Y68 HydrophobicContact CD2-CE2 4.42Å |
| 14 | H | 89.4 | Confident | 90.2 | Very high | 85 Ų | 85 | 81.6 Ų | 81.6 | 39% | 0.394 | 42% | 0.416 | S | S | . | . | trans | -78.7 | 140.6 | 173.3 | -171.7 | -94.5 | 0 | 0 | 0 | 109.8 | R16 Y17 F65 | H14-R16 WeakPolarHBondContact ND1-CB 3.26Å; H14-R16 PolarHBondContact ND1-N 2.89Å; H14-R16 VanDerWaalsContact ND1-N 3.19Å; H14-R16 PolarHBondContact O-N 2.71Å; H14-Y17 HydrophobicContact CB-CD2 4.01Å; H14-Y17 HydrophobicContact CB-CE2 4.19Å; H14-Y17 PolarHBondContact O-N 3.06Å; H14-F65 HydrophobicContact CB-CD1 4.16Å; H14-F65 HydrophobicContact CB-CE1 3.83Å; H14-F65 AromaticContact CD2-CE1 3.69Å; H14-F65 AromaticContact CD2-CZ 3.75Å | ||
| 15 | P | 86.3 | Confident | 90.1 | Very high | 54 Ų | 54 | 78.1 Ų | 78.1 | 35% | 0.351 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -55.4 | -22 | -179.1 | -28.6 | 35.7 | 0 | 0 | 0 | 115.1 | Y17 F18 G64 | P15-Y17 PolarHBondContact O-N 3.24Å; P15-F18 HydrophobicContact CB-CD2 4.31Å; P15-F18 HydrophobicContact CB-CE2 4.41Å; P15-F18 WeakPolarHBondContact O-CB 3.23Å; P15-F18 WeakPolarHBondContact O-CG 3.4Å; P15-F18 PolarHBondContact O-N 2.87Å; P15-G64 VanDerWaalsContact CD-O 3.31Å; P15-G64 WeakPolarHBondContact CD-O 3.33Å; P15-G64 WeakPolarHBondContact CG-O 3.5Å |
| 16 | R | 86.9 | Confident | 90.1 | Very high | 209 Ų | 209 | 75.9 Ų | 75.9 | 79% | 0.789 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -59.2 | -27.5 | 175 | -176.1 | 175.8 | 176.8 | 176.4 | -0.1 | 113.5 | H14 F18 | H14-R16 WeakPolarHBondContact ND1-CB 3.26Å; H14-R16 PolarHBondContact ND1-N 2.89Å; H14-R16 VanDerWaalsContact ND1-N 3.19Å; H14-R16 PolarHBondContact O-N 2.71Å; R16-F18 VanDerWaalsContact C-N 3.27Å |
| 17 | Y | 85.1 | Confident | 90 | Very high | 132 Ų | 132 | 76 Ų | 76 | 52% | 0.518 | 38% | 0.381 | S | S | . | . | G | 310 helix | trans | -89.6 | 6.4 | 178.8 | -60.6 | -71.8 | 0 | 0 | 0 | 112.7 | L13 H14 P15 T25 | L13-Y17 HydrophobicContact CD1-CD2 4.09Å; L13-Y17 HydrophobicContact CD1-CG 4.29Å; L13-Y17 HydrophobicContact CG-CD2 4.43Å; H14-Y17 HydrophobicContact CB-CD2 4.01Å; H14-Y17 HydrophobicContact CB-CE2 4.19Å; H14-Y17 PolarHBondContact O-N 3.06Å; P15-Y17 PolarHBondContact O-N 3.24Å; Y17-T25 HydrophobicContact CD1-CG2 4.43Å; Y17-T25 HydrophobicContact CG-CG2 4.4Å |
| 18 | F | 83 | Confident | 89.9 | Confident | 89 Ų | 89 | 82 Ų | 82 | 39% | 0.39 | 41% | 0.409 | S | S | . | . | trans | -75.7 | 137.4 | 176.1 | -68.8 | 2.8 | 0 | 0 | 0 | 110.1 | L13 P15 R16 L22 V66 Y68 | L13-F18 HydrophobicContact CB-CE1 4.49Å; L13-F18 HydrophobicContact CD2-CD1 4.08Å; L13-F18 HydrophobicContact CD2-CE1 3.97Å; L13-F18 HydrophobicContact CG-CE1 4.44Å; P15-F18 HydrophobicContact CB-CD2 4.31Å; P15-F18 HydrophobicContact CB-CE2 4.41Å; P15-F18 WeakPolarHBondContact O-CB 3.23Å; P15-F18 WeakPolarHBondContact O-CG 3.4Å; P15-F18 PolarHBondContact O-N 2.87Å; R16-F18 VanDerWaalsContact C-N 3.27Å; F18-L22 HydrophobicContact CD1-CD1 3.74Å; F18-L22 HydrophobicContact CE1-CD1 4.05Å; F18-V66 HydrophobicContact CE1-CB 4.35Å; F18-V66 HydrophobicContact CE1-CG2 4.42Å; F18-V66 HydrophobicContact CE2-CG2 3.97Å; F18-V66 HydrophobicContact CZ-CB 3.67Å; F18-V66 HydrophobicContact CZ-CG1 4.25Å; F18-V66 HydrophobicContact CZ-CG2 3.38Å; F18-Y68 HydrophobicContact CE1-CE2 4.18Å; F18-Y68 HydrophobicContact CZ-CE2 4.46Å | ||
| 19 | G | 85.1 | Confident | 89.9 | Confident | 41 Ų | 41 | 78.6 Ų | 78.6 | 42% | 0.423 | 39% | 0.392 | S | S | . | . | S | Bend | trans | 160.5 | -170.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N21 L22 | G19-N21 PolarHBondContact O-N 3.11Å; G19-N21 VanDerWaalsContact O-N 3.08Å; G19-L22 VanDerWaalsContact O-CB 3.31Å; G19-L22 WeakPolarHBondContact O-CB 3.42Å; G19-L22 PolarHBondContact O-N 2.95Å |
| 20 | P | 85.8 | Confident | 89.9 | Confident | 138 Ų | 138 | 76.1 Ų | 76.1 | 90% | 0.896 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -23.2 | -178.3 | 23.7 | -33.6 | 0 | 0 | 0 | 113.2 | ||
| 21 | N | 88.3 | Confident | 89.9 | Confident | 103 Ų | 103 | 73.7 Ų | 73.7 | 55% | 0.551 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 11.6 | -179.6 | -68.8 | -32.9 | 0 | 0 | 0 | 114.3 | G19 L23 N24 T25 | G19-N21 PolarHBondContact O-N 3.11Å; G19-N21 VanDerWaalsContact O-N 3.08Å; N21-L23 VanDerWaalsContact C-N 3.31Å; N21-L23 PolarHBondContact O-N 2.96Å; N21-N24 WeakPolarHBondContact O-CB 3.15Å; N21-N24 PolarHBondContact O-N 3.36Å; N21-T25 PolarHBondContact O-N 2.86Å; N21-T25 PolarHBondContact O-OG1 2.85Å |
| 22 | L | 88.9 | Confident | 89.9 | Confident | 38 Ų | 38 | 79.3 Ų | 79.3 | 20% | 0.199 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -49.2 | -50.1 | -177.2 | 176 | 66.9 | 0 | 0 | 0 | 112.6 | L13 F18 G19 N24 T25 V26 Y68 | L13-L22 HydrophobicContact CD2-CD1 3.25Å; F18-L22 HydrophobicContact CD1-CD1 3.74Å; F18-L22 HydrophobicContact CE1-CD1 4.05Å; G19-L22 VanDerWaalsContact O-CB 3.31Å; G19-L22 WeakPolarHBondContact O-CB 3.42Å; G19-L22 PolarHBondContact O-N 2.95Å; L22-N24 VanDerWaalsContact C-N 3.29Å; L22-N24 PolarHBondContact O-N 2.98Å; L22-T25 PolarHBondContact O-N 3.21Å; L22-V26 HydrophobicContact CD1-CG2 4.37Å; L22-V26 WeakPolarHBondContact O-CG2 3.23Å; L22-V26 PolarHBondContact O-N 3.4Å; L22-Y68 HydrophobicContact CD1-CE2 4.43Å |
| 23 | L | 89.1 | Confident | 89.9 | Confident | 100 Ų | 100 | 79.1 Ų | 79.1 | 52% | 0.524 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -61.2 | -39.8 | -179.3 | -64.5 | 179 | 0 | 0 | 0 | 111.8 | N21 V26 K27 I54 | N21-L23 VanDerWaalsContact C-N 3.31Å; N21-L23 PolarHBondContact O-N 2.96Å; L23-V26 PolarHBondContact O-N 2.83Å; L23-K27 VanDerWaalsContact O-CG 3.25Å; L23-K27 WeakPolarHBondContact O-CG 3.45Å; L23-K27 PolarHBondContact O-N 3.24Å; L23-I54 HydrophobicContact CD2-CD1 3.99Å; L23-I54 HydrophobicContact CD2-CG2 4.49Å |
| 24 | N | 92 | Very high | 89.9 | Confident | 88 Ų | 88 | 79.2 Ų | 79.2 | 47% | 0.471 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 178.3 | -66.2 | -26.1 | 0 | 0 | 0 | 111.1 | N21 L22 K27 Q28 | N21-N24 WeakPolarHBondContact O-CB 3.15Å; N21-N24 PolarHBondContact O-N 3.36Å; L22-N24 VanDerWaalsContact C-N 3.29Å; L22-N24 PolarHBondContact O-N 2.98Å; N24-K27 PolarHBondContact O-N 2.77Å; N24-Q28 WeakPolarHBondContact O-CB 3.33Å; N24-Q28 WeakPolarHBondContact O-CG 3.33Å; N24-Q28 PolarHBondContact O-N 3.44Å |
| 25 | T | 92.3 | Very high | 90 | Very high | 36 Ų | 36 | 79 Ų | 79 | 22% | 0.221 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 175.4 | -53.3 | 0 | 0 | 0 | 0 | 111.8 | L13 Y17 N21 L22 Q28 K29 | L13-T25 HydrophobicContact CD1-CG2 3.98Å; Y17-T25 HydrophobicContact CD1-CG2 4.43Å; Y17-T25 HydrophobicContact CG-CG2 4.4Å; N21-T25 PolarHBondContact O-N 2.86Å; N21-T25 PolarHBondContact O-OG1 2.85Å; L22-T25 PolarHBondContact O-N 3.21Å; T25-Q28 PolarHBondContact O-N 2.91Å; T25-K29 WeakPolarHBondContact O-CB 3.41Å; T25-K29 PolarHBondContact O-N 2.96Å |
| 26 | V | 92.5 | Very high | 90 | Very high | 2 Ų | 2 | 79.2 Ų | 79.2 | 1% | 0.012 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62 | -44.6 | 175.7 | 174.1 | 0 | 0 | 0 | 0 | 110.6 | I11 L13 L22 L23 K29 L30 Y68 V70 | I11-V26 HydrophobicContact CD1-CG1 3.75Å; I11-V26 VanDerWaalsContact CD1-O 3.29Å; I11-V26 WeakPolarHBondContact CD1-O 3.46Å; L13-V26 HydrophobicContact CD2-CG2 4.21Å; L22-V26 HydrophobicContact CD1-CG2 4.37Å; L22-V26 WeakPolarHBondContact O-CG2 3.23Å; L22-V26 PolarHBondContact O-N 3.4Å; L23-V26 PolarHBondContact O-N 2.83Å; V26-K29 PolarHBondContact O-N 2.83Å; V26-L30 PolarHBondContact O-N 2.8Å; V26-Y68 HydrophobicContact CG2-CD2 4.36Å; V26-Y68 HydrophobicContact CG2-CG 4.46Å; V26-V70 HydrophobicContact CG1-CG2 3.9Å |
| 27 | K | 92.3 | Very high | 90.1 | Very high | 84 Ų | 84 | 71.7 Ų | 71.7 | 37% | 0.365 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.5 | -49.2 | 176.8 | -70.4 | -178 | -177.6 | -179.2 | 0 | 112.4 | L23 N24 K29 L30 F31 I51 | L23-K27 VanDerWaalsContact O-CG 3.25Å; L23-K27 WeakPolarHBondContact O-CG 3.45Å; L23-K27 PolarHBondContact O-N 3.24Å; N24-K27 PolarHBondContact O-N 2.77Å; K27-K29 VanDerWaalsContact C-N 3.28Å; K27-K29 PolarHBondContact O-N 2.93Å; K27-L30 WeakPolarHBondContact O-CB 3.21Å; K27-L30 PolarHBondContact O-N 2.9Å; K27-F31 HydrophobicContact CB-CE2 4.17Å; K27-F31 WeakPolarHBondContact O-CD2 3.35Å; K27-F31 WeakPolarHBondContact O-CG 3.4Å; K27-F31 PolarHBondContact O-N 2.74Å; K27-I51 HydrophobicContact CB-CD1 4.14Å; K27-I51 HydrophobicContact CD-CD1 4.13Å; K27-I51 HydrophobicContact CG-CD1 3.61Å |
| 28 | Q | 92.9 | Very high | 90.1 | Very high | 135 Ų | 135 | 69 Ų | 69 | 63% | 0.631 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.4 | -43.3 | 178.1 | -76.5 | -170.9 | -39 | 0 | 0 | 111.5 | N24 T25 L30 F31 T32 | N24-Q28 WeakPolarHBondContact O-CB 3.33Å; N24-Q28 WeakPolarHBondContact O-CG 3.33Å; N24-Q28 PolarHBondContact O-N 3.44Å; T25-Q28 PolarHBondContact O-N 2.91Å; Q28-L30 VanDerWaalsContact C-N 3.33Å; Q28-L30 PolarHBondContact O-N 3.07Å; Q28-F31 PolarHBondContact O-N 3.47Å; Q28-T32 PolarHBondContact O-N 3.23Å; Q28-T32 PolarHBondContact O-OG1 2.86Å; Q28-T32 VanDerWaalsContact O-OG1 3.06Å |
| 29 | K | 93.4 | Very high | 90.3 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 28% | 0.283 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 178 | -167 | 159.7 | -178.5 | 174.7 | 0 | 112.1 | I11 L12 L13 T25 V26 K27 T32 E33 | I11-K29 HydrophobicContact CG2-CB 4.25Å; I11-K29 HydrophobicContact CG2-CD 3.79Å; I11-K29 HydrophobicContact CG2-CG 3.97Å; L12-K29 PolarHBondContact O-NZ 2.98Å; L13-K29 HydrophobicContact CD1-CD 4.17Å; T25-K29 WeakPolarHBondContact O-CB 3.41Å; T25-K29 PolarHBondContact O-N 2.96Å; V26-K29 PolarHBondContact O-N 2.83Å; K27-K29 VanDerWaalsContact C-N 3.28Å; K27-K29 PolarHBondContact O-N 2.93Å; K29-T32 PolarHBondContact O-N 2.82Å; K29-E33 WeakPolarHBondContact CE-OE1 3.41Å; K29-E33 HydrophobicContact CG-CG 4.32Å; K29-E33 WeakPolarHBondContact CG-OE1 3.46Å; K29-E33 IonicContact NZ-OE1 2.67Å; K29-E33 WeakPolarHBondContact O-CB 3.47Å; K29-E33 WeakPolarHBondContact O-CG 3.33Å; K29-E33 PolarHBondContact O-N 3.03Å |
| 30 | L | 94.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -55.9 | -56.2 | 171.7 | -172.6 | 70.4 | 0 | 0 | 0 | 110.4 | H9 I11 V26 K27 Q28 T32 E33 V34 V48 I51 V70 Y72 | H9-L30 HydrophobicContact CB-CD1 3.99Å; I11-L30 HydrophobicContact CD1-CB 3.62Å; I11-L30 HydrophobicContact CD1-CD1 3.87Å; I11-L30 HydrophobicContact CD1-CG 4.33Å; I11-L30 HydrophobicContact CG1-CD1 4.49Å; V26-L30 PolarHBondContact O-N 2.8Å; K27-L30 WeakPolarHBondContact O-CB 3.21Å; K27-L30 PolarHBondContact O-N 2.9Å; Q28-L30 VanDerWaalsContact C-N 3.33Å; Q28-L30 PolarHBondContact O-N 3.07Å; L30-T32 VanDerWaalsContact C-N 3.32Å; L30-T32 PolarHBondContact O-N 3.16Å; L30-E33 PolarHBondContact O-N 2.78Å; L30-V34 HydrophobicContact CD1-CG1 3.84Å; L30-V34 HydrophobicContact CG-CG1 4.41Å; L30-V34 HydrophobicContact CG-CG2 4.3Å; L30-V34 WeakPolarHBondContact O-CG1 3.12Å; L30-V34 WeakPolarHBondContact O-CG2 3.25Å; L30-V34 PolarHBondContact O-N 2.89Å; L30-V48 HydrophobicContact CD2-CG1 4.49Å; L30-I51 HydrophobicContact CD2-CD1 3.82Å; L30-I51 HydrophobicContact CD2-CG1 3.9Å; L30-V70 HydrophobicContact CD1-CB 4.47Å; L30-V70 HydrophobicContact CD1-CG1 4.44Å; L30-V70 HydrophobicContact CD2-CG1 3.97Å; L30-Y72 HydrophobicContact CD1-CD1 3.99Å; L30-Y72 HydrophobicContact CD1-CE1 4.01Å; L30-Y72 HydrophobicContact CD2-CD1 4.19Å; L30-Y72 HydrophobicContact CD2-CG 4.04Å |
| 31 | F | 93.6 | Very high | 90.2 | Very high | 70 Ų | 70 | 69 Ų | 69 | 31% | 0.307 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -56.6 | -46.6 | -177.7 | -61 | -51.4 | 0 | 0 | 0 | 111.6 | K27 Q28 E33 E35 V48 I51 | K27-F31 HydrophobicContact CB-CE2 4.17Å; K27-F31 WeakPolarHBondContact O-CD2 3.35Å; K27-F31 WeakPolarHBondContact O-CG 3.4Å; K27-F31 PolarHBondContact O-N 2.74Å; Q28-F31 PolarHBondContact O-N 3.47Å; F31-E33 PolarHBondContact O-N 2.96Å; F31-E35 VanDerWaalsContact O-CB 3.22Å; F31-E35 WeakPolarHBondContact O-CB 3.06Å; F31-E35 WeakPolarHBondContact O-CG 3.44Å; F31-E35 PolarHBondContact O-N 2.71Å; F31-V48 HydrophobicContact CD1-CB 3.81Å; F31-V48 HydrophobicContact CD1-CG1 4.25Å; F31-V48 HydrophobicContact CD1-CG2 4.09Å; F31-V48 HydrophobicContact CE1-CB 3.72Å; F31-V48 HydrophobicContact CE1-CG1 3.76Å; F31-V48 HydrophobicContact CE1-CG2 4.43Å; F31-I51 HydrophobicContact CE1-CD1 4.4Å; F31-I51 HydrophobicContact CZ-CD1 4.02Å |
| 32 | T | 92.8 | Very high | 90.1 | Very high | 118 Ų | 118 | 68.2 Ų | 68.2 | 72% | 0.724 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.9 | -35.6 | 179.8 | -53.7 | 0 | 0 | 0 | 0 | 113.4 | Q28 K29 L30 | Q28-T32 PolarHBondContact O-N 3.23Å; Q28-T32 PolarHBondContact O-OG1 2.86Å; Q28-T32 VanDerWaalsContact O-OG1 3.06Å; K29-T32 PolarHBondContact O-N 2.82Å; L30-T32 VanDerWaalsContact C-N 3.32Å; L30-T32 PolarHBondContact O-N 3.16Å |
| 33 | E | 92.2 | Very high | 90 | Very high | 74 Ų | 74 | 66.8 Ų | 66.8 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -83.3 | -28.1 | -177.4 | -74.7 | -176.6 | -171.6 | 0 | 0 | 113.5 | H9 K29 L30 F31 T37 | H9-E33 IonicContact CD2-OE2 3.83Å; H9-E33 IonicContact CE1-OE2 3.92Å; H9-E33 IonicContact NE2-OE2 3.81Å; H9-E33 PolarHBondContact NE2-OE2 2.87Å; K29-E33 WeakPolarHBondContact CE-OE1 3.41Å; K29-E33 HydrophobicContact CG-CG 4.32Å; K29-E33 WeakPolarHBondContact CG-OE1 3.46Å; K29-E33 IonicContact NZ-OE1 2.67Å; K29-E33 WeakPolarHBondContact O-CB 3.47Å; K29-E33 WeakPolarHBondContact O-CG 3.33Å; K29-E33 PolarHBondContact O-N 3.03Å; L30-E33 PolarHBondContact O-N 2.78Å; F31-E33 PolarHBondContact O-N 2.96Å; E33-T37 WeakPolarHBondContact O-CG2 3.3Å |
| 34 | V | 92.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 64.9 Ų | 64.9 | 2% | 0.018 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -105.7 | -33.6 | -173.1 | -49.6 | 0 | 0 | 0 | 0 | 113.4 | H9 L30 G36 T37 V45 V48 Y72 | H9-V34 HydrophobicContact CB-CG1 4.23Å; L30-V34 HydrophobicContact CD1-CG1 3.84Å; L30-V34 HydrophobicContact CG-CG1 4.41Å; L30-V34 HydrophobicContact CG-CG2 4.3Å; L30-V34 WeakPolarHBondContact O-CG1 3.12Å; L30-V34 WeakPolarHBondContact O-CG2 3.25Å; L30-V34 PolarHBondContact O-N 2.89Å; V34-G36 PolarHBondContact O-N 3.2Å; V34-T37 PolarHBondContact O-N 2.78Å; V34-T37 PolarHBondContact O-OG1 3Å; V34-V45 VanDerWaalsContact O-CB 3.32Å; V34-V45 WeakPolarHBondContact O-CB 3.35Å; V34-V45 WeakPolarHBondContact O-CG1 3.45Å; V34-V48 HydrophobicContact CG2-CG2 3.26Å; V34-Y72 HydrophobicContact CB-CE2 4.48Å; V34-Y72 HydrophobicContact CG2-CE2 4.02Å |
| 35 | E | 90.6 | Very high | 90 | Very high | 80 Ų | 80 | 60.8 Ų | 60.8 | 37% | 0.374 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 131.6 | -178.2 | -63 | -172.5 | 147.9 | 0 | 0 | 110.8 | F31 T37 V48 | F31-E35 VanDerWaalsContact O-CB 3.22Å; F31-E35 WeakPolarHBondContact O-CB 3.06Å; F31-E35 WeakPolarHBondContact O-CG 3.44Å; F31-E35 PolarHBondContact O-N 2.71Å; E35-T37 VanDerWaalsContact C-N 3.26Å; E35-T37 PolarHBondContact O-N 3.1Å; E35-V48 HydrophobicContact CG-CG2 4.05Å; E35-V48 PolarHBondContact OE1-N 2.67Å |
| 36 | G | 86.9 | Confident | 89.9 | Confident | 58 Ų | 58 | 62 Ų | 62 | 60% | 0.598 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 1.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V34 V45 | V34-G36 PolarHBondContact O-N 3.2Å; G36-V45 WeakPolarHBondContact CA-O 3.33Å; G36-V45 PolarHBondContact N-O 2.98Å |
| 37 | T | 88.6 | Confident | 89.9 | Confident | 52 Ų | 52 | 63.6 Ų | 63.6 | 32% | 0.319 | 36% | 0.357 | S | S | . | . | trans | -80.3 | 151.5 | 177.3 | 63.1 | 0 | 0 | 0 | 0 | 112.9 | E33 V34 E35 F44 V45 | E33-T37 WeakPolarHBondContact O-CG2 3.3Å; V34-T37 PolarHBondContact O-N 2.78Å; V34-T37 PolarHBondContact O-OG1 3Å; E35-T37 VanDerWaalsContact C-N 3.26Å; E35-T37 PolarHBondContact O-N 3.1Å; T37-F44 CarbonylContact O-C 3.52Å; T37-F44 WeakPolarHBondContact O-CA 3.22Å; T37-V45 PolarHBondContact O-N 2.9Å | ||
| 38 | C | 86.1 | Confident | 89.9 | Confident | 74 Ų | 74 | 60.3 Ų | 60.3 | 50% | 0.5 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 123.8 | 173.4 | -168.9 | 0 | 0 | 0 | 0 | 110.4 | F44 | C38-F44 HydrophobicContact CB-CD1 3.28Å; C38-F44 HydrophobicContact CB-CE1 3.23Å; C38-F44 HydrophobicContact CB-CG 4.19Å; C38-F44 HydrophobicContact CB-CZ 4Å; C38-F44 WeakPolarHBondContact SG-CD1 3.32Å; C38-F44 WeakPolarHBondContact SG-CE1 3.44Å; C38-F44 WeakPolarHBondContact SG-CZ 3.31Å |
| 39 | T | 85.8 | Confident | 90 | Very high | 59 Ų | 59 | 57.3 Ų | 57.3 | 36% | 0.362 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 126.7 | 172.4 | -59.3 | 0 | 0 | 0 | 0 | 109.3 | K41 Y42 G43 | T39-K41 HydrophobicContact CG2-CB 4.22Å; T39-K41 PolarHBondContact O-N 3.37Å; T39-Y42 HydrophobicContact CG2-CD2 4.02Å; T39-Y42 PolarHBondContact O-N 2.99Å; T39-Y42 VanDerWaalsContact O-N 3.1Å; T39-G43 PolarHBondContact N-O 3.39Å; T39-G43 WeakPolarHBondContact O-CA 3.41Å; T39-G43 PolarHBondContact O-N 2.94Å |
| 40 | G | 82.6 | Confident | 90 | Very high | 76 Ų | 76 | 57.2 Ų | 57.2 | 78% | 0.784 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -26.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 41 | K | 86.6 | Confident | 90 | Very high | 133 Ų | 133 | 59.4 Ų | 59.4 | 58% | 0.578 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | -40.4 | 177.7 | -173 | 177.9 | 176.8 | -166.6 | 0 | 113.6 | T39 R78 | T39-K41 HydrophobicContact CG2-CB 4.22Å; T39-K41 PolarHBondContact O-N 3.37Å; K41-R78 VanDerWaalsContact O-CZ 3.28Å; K41-R78 PolarHBondContact O-NH1 3.27Å |
| 42 | Y | 86.1 | Confident | 90 | Very high | 87 Ų | 87 | 59.9 Ų | 59.9 | 34% | 0.341 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -14.4 | -170.2 | -60.4 | -68.9 | 0 | 0 | 0 | 113.6 | I5 L7 T39 | I5-Y42 HydrophobicContact CD1-CD1 3.86Å; I5-Y42 HydrophobicContact CD1-CG 4.44Å; L7-Y42 HydrophobicContact CD2-CD1 3.65Å; L7-Y42 HydrophobicContact CD2-CD2 3.92Å; L7-Y42 HydrophobicContact CD2-CE1 3.72Å; L7-Y42 HydrophobicContact CD2-CE2 4.01Å; L7-Y42 HydrophobicContact CD2-CG 3.75Å; T39-Y42 HydrophobicContact CG2-CD2 4.02Å; T39-Y42 PolarHBondContact O-N 2.99Å; T39-Y42 VanDerWaalsContact O-N 3.1Å |
| 43 | G | 88 | Confident | 90 | Very high | 8 Ų | 8 | 59 Ų | 59 | 8% | 0.082 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 89.3 | -153.8 | -171.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T39 | T39-G43 PolarHBondContact N-O 3.39Å; T39-G43 WeakPolarHBondContact O-CA 3.41Å; T39-G43 PolarHBondContact O-N 2.94Å |
| 44 | F | 89.3 | Confident | 90 | Very high | 60 Ų | 60 | 57.4 Ų | 57.4 | 26% | 0.263 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 128.7 | 179.2 | -72 | -80.4 | 0 | 0 | 0 | 111.1 | T37 C38 V76 F77 F105 | T37-F44 CarbonylContact O-C 3.52Å; T37-F44 WeakPolarHBondContact O-CA 3.22Å; C38-F44 HydrophobicContact CB-CD1 3.28Å; C38-F44 HydrophobicContact CB-CE1 3.23Å; C38-F44 HydrophobicContact CB-CG 4.19Å; C38-F44 HydrophobicContact CB-CZ 4Å; C38-F44 WeakPolarHBondContact SG-CD1 3.32Å; C38-F44 WeakPolarHBondContact SG-CE1 3.44Å; C38-F44 WeakPolarHBondContact SG-CZ 3.31Å; F44-V76 CarbonylContact O-C 3.6Å; F44-V76 WeakPolarHBondContact O-CA 3.39Å; F44-V76 WeakPolarHBondContact O-CB 3.21Å; F44-F77 HydrophobicContact CB-CB 4.43Å; F44-F77 PolarHBondContact N-O 3.07Å; F44-F77 PolarHBondContact O-N 3.23Å; F44-F105 HydrophobicContact CB-CE1 4.08Å; F44-F105 HydrophobicContact CB-CE2 4.01Å; F44-F105 HydrophobicContact CB-CZ 3.58Å; F44-F105 AromaticContact CD1-CE1 3.59Å; F44-F105 HydrophobicContact CD1-CE1 3.59Å; F44-F105 HydrophobicContact CD1-CE2 4.03Å; F44-F105 AromaticContact CD1-CZ 3.02Å; F44-F105 HydrophobicContact CD1-CZ 3.02Å; F44-F105 HydrophobicContact CD2-CD1 4.48Å; F44-F105 AromaticContact CD2-CE1 3.44Å; F44-F105 HydrophobicContact CD2-CE1 3.44Å; F44-F105 VanDerWaalsContact CD2-CE1 3.44Å; F44-F105 AromaticContact CD2-CZ 3.73Å; F44-F105 HydrophobicContact CD2-CZ 3.73Å; F44-F105 AromaticContact CE1-CE1 3.59Å; F44-F105 HydrophobicContact CE1-CE1 3.59Å; F44-F105 AromaticContact CE1-CZ 3.33Å; F44-F105 HydrophobicContact CE1-CZ 3.33Å; F44-F105 AromaticContact CE2-CE1 3.54Å; F44-F105 HydrophobicContact CE2-CE1 3.54Å; F44-F105 HydrophobicContact CE2-CZ 4.06Å; F44-F105 AromaticContact CG-CE1 3.43Å; F44-F105 HydrophobicContact CG-CE1 3.43Å; F44-F105 VanDerWaalsContact CG-CE1 3.43Å; F44-F105 HydrophobicContact CG-CE2 4.08Å; F44-F105 AromaticContact CG-CZ 3.16Å; F44-F105 HydrophobicContact CG-CZ 3.16Å; F44-F105 AromaticContact CZ-CE1 3.58Å; F44-F105 HydrophobicContact CZ-CE1 3.58Å; F44-F105 AromaticContact CZ-CZ 3.86Å; F44-F105 HydrophobicContact CZ-CZ 3.86Å |
| 45 | V | 91.6 | Very high | 89.9 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 114 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | L7 V34 G36 T37 A74 V76 | L7-V45 HydrophobicContact CD1-CG2 4.4Å; V34-V45 VanDerWaalsContact O-CB 3.32Å; V34-V45 WeakPolarHBondContact O-CB 3.35Å; V34-V45 WeakPolarHBondContact O-CG1 3.45Å; G36-V45 WeakPolarHBondContact CA-O 3.33Å; G36-V45 PolarHBondContact N-O 2.98Å; T37-V45 PolarHBondContact O-N 2.9Å; V45-A74 HydrophobicContact CG1-CB 4.05Å; V45-V76 HydrophobicContact CG2-CG1 4.13Å |
| 46 | I | 90.2 | Very high | 89.8 | Confident | 61 Ų | 61 | 58.7 Ų | 58.7 | 31% | 0.313 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | -56.9 | -177.3 | -52.6 | -179.1 | 0 | 0 | 0 | 109.8 | F2 I75 F77 | F2-I46 HydrophobicContact CD1-CD1 3.42Å; F2-I46 VanDerWaalsContact CD1-CD1 3.42Å; F2-I46 HydrophobicContact CE1-CD1 3.29Å; I46-I75 WeakPolarHBondContact CB-O 3.31Å; I46-I75 HydrophobicContact CD1-CG2 4.03Å; I46-I75 PolarHBondContact N-O 3.08Å; I46-F77 HydrophobicContact CD1-CB 4Å; I46-F77 HydrophobicContact CG1-CB 4.25Å |
| 47 | A | 91.4 | Very high | 89.8 | Confident | 35 Ų | 35 | 57.3 Ų | 57.3 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 145.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | A74 I75 | A47-A74 WeakPolarHBondContact O-CA 3.44Å; A47-A74 WeakPolarHBondContact O-CB 3.49Å; A47-I75 PolarHBondContact O-N 2.95Å |
| 48 | V | 93.6 | Very high | 89.8 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 10% | 0.097 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 126.4 | 170.6 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | L30 F31 V34 E35 I51 Y72 | L30-V48 HydrophobicContact CD2-CG1 4.49Å; F31-V48 HydrophobicContact CD1-CB 3.81Å; F31-V48 HydrophobicContact CD1-CG1 4.25Å; F31-V48 HydrophobicContact CD1-CG2 4.09Å; F31-V48 HydrophobicContact CE1-CB 3.72Å; F31-V48 HydrophobicContact CE1-CG1 3.76Å; F31-V48 HydrophobicContact CE1-CG2 4.43Å; V34-V48 HydrophobicContact CG2-CG2 3.26Å; E35-V48 HydrophobicContact CG-CG2 4.05Å; E35-V48 PolarHBondContact OE1-N 2.67Å; V48-I51 HydrophobicContact CG1-CG1 4.34Å; V48-Y72 HydrophobicContact CB-CD2 4.41Å; V48-Y72 HydrophobicContact CG1-CD2 3.86Å; V48-Y72 HydrophobicContact CG1-CG 4.38Å; V48-Y72 HydrophobicContact CG2-CD2 3.82Å; V48-Y72 HydrophobicContact CG2-CE2 3.95Å |
| 49 | T | 94.1 | Very high | 90 | Very high | 72 Ų | 72 | 61.3 Ų | 61.3 | 44% | 0.442 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -52.4 | -177.7 | -46 | 0 | 0 | 0 | 0 | 111.5 | K73 | T49-K73 PolarHBondContact N-O 3.5Å |
| 50 | T | 93.3 | Very high | 90 | Very high | 63 Ų | 63 | 61.7 Ų | 61.7 | 39% | 0.387 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 148.2 | -178.8 | 58.8 | 0 | 0 | 0 | 0 | 110.9 | D52 Y72 K73 | T50-D52 PolarHBondContact OG1-OD1 3.06Å; T50-Y72 CarbonylContact O-C 3.56Å; T50-Y72 WeakPolarHBondContact O-CA 3.47Å; T50-Y72 WeakPolarHBondContact O-CB 3.37Å; T50-K73 PolarHBondContact N-O 2.8Å; T50-K73 PolarHBondContact O-N 3.46Å |
| 51 | I | 94.1 | Very high | 90 | Very high | 46 Ų | 46 | 63.8 Ų | 63.8 | 24% | 0.236 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 110.7 | 171.5 | -59.3 | 173 | 0 | 0 | 0 | 106.5 | K27 L30 F31 V48 I54 V70 | K27-I51 HydrophobicContact CB-CD1 4.14Å; K27-I51 HydrophobicContact CD-CD1 4.13Å; K27-I51 HydrophobicContact CG-CD1 3.61Å; L30-I51 HydrophobicContact CD2-CD1 3.82Å; L30-I51 HydrophobicContact CD2-CG1 3.9Å; F31-I51 HydrophobicContact CE1-CD1 4.4Å; F31-I51 HydrophobicContact CZ-CD1 4.02Å; V48-I51 HydrophobicContact CG1-CG1 4.34Å; I51-I54 HydrophobicContact CG2-CD1 4.45Å; I51-I54 HydrophobicContact CG2-CG1 4.03Å; I51-V70 HydrophobicContact CG2-CG1 3.77Å |
| 52 | D | 93.8 | Very high | 89.6 | Confident | 80 Ų | 80 | 62.9 Ų | 62.9 | 43% | 0.428 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -45.8 | -173.6 | -69.2 | -23.2 | 0 | 0 | 0 | 110.8 | T50 K71 K73 | T50-D52 PolarHBondContact OG1-OD1 3.06Å; D52-K71 PolarHBondContact N-O 3.19Å; D52-K73 WeakPolarHBondContact OD1-CE 3.21Å; D52-K73 WeakPolarHBondContact OD2-CE 2.83Å; D52-K73 WeakPolarHBondContact OD2-CG 3.42Å |
| 53 | N | 92.6 | Very high | 89.2 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 52% | 0.524 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 143.9 | -178.6 | -165 | 11 | 0 | 0 | 0 | 112.4 | K71 | N53-K71 PolarHBondContact N-O 3.41Å; N53-K71 VanDerWaalsContact N-O 3.16Å; N53-K71 PolarHBondContact O-N 3.01Å |
| 54 | I | 92.4 | Very high | 89 | Confident | 42 Ų | 42 | 69.1 Ų | 69.1 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 109.7 | 170.9 | -60.6 | 170.3 | 0 | 0 | 0 | 106.4 | L23 I51 Y68 V70 | L23-I54 HydrophobicContact CD2-CD1 3.99Å; L23-I54 HydrophobicContact CD2-CG2 4.49Å; I51-I54 HydrophobicContact CG2-CD1 4.45Å; I51-I54 HydrophobicContact CG2-CG1 4.03Å; I54-Y68 HydrophobicContact CG2-CD1 4.44Å; I54-V70 HydrophobicContact CG1-CG1 4.2Å; I54-V70 HydrophobicContact CG1-CG2 4.34Å; I54-V70 HydrophobicContact CG2-CG2 4.3Å |
| 55 | G | 90.1 | Very high | 89 | Confident | 24 Ų | 24 | 69.6 Ų | 69.6 | 25% | 0.247 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 168.6 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | G57 P69 | G55-G57 PolarHBondContact O-N 3.32Å; G55-P69 WeakPolarHBondContact CA-O 3.33Å; G55-P69 PolarHBondContact N-O 3.39Å |
| 56 | A | 88.6 | Confident | 89 | Confident | 85 Ų | 85 | 69.8 Ų | 69.8 | 70% | 0.702 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 135.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | V58 P69 | A56-V58 PolarHBondContact O-N 2.93Å; A56-P69 WeakPolarHBondContact O-CD 3.03Å |
| 57 | G | 86.6 | Confident | 89.1 | Confident | 29 Ų | 29 | 68 Ų | 68 | 30% | 0.299 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 121.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G55 L67 Y68 | G55-G57 PolarHBondContact O-N 3.32Å; G57-L67 CarbonylContact C-O 3.55Å; G57-L67 VanDerWaalsContact CA-O 3.31Å; G57-L67 WeakPolarHBondContact CA-O 3.37Å; G57-Y68 VanDerWaalsContact CA-CE1 3.44Å |
| 58 | V | 89.5 | Confident | 89.2 | Confident | 94 Ų | 94 | 67.7 Ų | 67.7 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 120.8 | 176.1 | -176.8 | 0 | 0 | 0 | 0 | 109 | A56 Q60 V66 L67 | A56-V58 PolarHBondContact O-N 2.93Å; V58-Q60 PolarHBondContact O-N 3.06Å; V58-V66 WeakPolarHBondContact O-CA 3.43Å; V58-L67 PolarHBondContact N-O 2.95Å; V58-L67 PolarHBondContact O-N 3.47Å |
| 59 | I | 89.6 | Confident | 89.2 | Confident | 116 Ų | 116 | 69.3 Ų | 69.3 | 60% | 0.595 | 41% | 0.407 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 125.3 | 178 | -58.3 | 164.2 | 0 | 0 | 0 | 108.5 | P61 V66 | I59-P61 WeakPolarHBondContact O-CD 3.46Å; I59-V66 HydrophobicContact CB-CG2 4.39Å; I59-V66 HydrophobicContact CG1-CG2 3.73Å |
| 60 | Q | 86.4 | Confident | 89.3 | Confident | 67 Ų | 67 | 66 Ų | 66 | 31% | 0.313 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 118.5 | 173.3 | -75.3 | -169.6 | -5.1 | 0 | 0 | 110.2 | V58 S62 F65 | V58-Q60 PolarHBondContact O-N 3.06Å; Q60-S62 PolarHBondContact O-N 3.03Å; Q60-S62 VanDerWaalsContact O-N 3.11Å; Q60-F65 PolarHBondContact N-O 3.3Å |
| 61 | P | 81.3 | Confident | 89.4 | Confident | 120 Ų | 120 | 67.8 Ų | 67.8 | 78% | 0.779 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | 112.4 | 177.5 | 27.4 | -31.3 | 0 | 0 | 0 | 108.6 | I59 | I59-P61 WeakPolarHBondContact O-CD 3.46Š|
| 62 | S | 79.1 | Confident | 89.4 | Confident | 114 Ų | 114 | 66.1 Ų | 66.1 | 80% | 0.797 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 135.3 | -41.2 | 170.3 | 56 | 0 | 0 | 0 | 0 | 112.8 | Q60 | Q60-S62 PolarHBondContact O-N 3.03Å; Q60-S62 VanDerWaalsContact O-N 3.11Å |
| 63 | R | 78.8 | Confident | 89.5 | Confident | 190 Ų | 190 | 65.5 Ų | 65.5 | 72% | 0.717 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | -9.3 | -171.5 | -57.7 | -172.3 | 179.2 | 179.6 | -0.3 | 114.2 | F65 | R63-F65 HydrophobicContact CB-CD2 3.57Å; R63-F65 HydrophobicContact CB-CE2 4.05Å; R63-F65 VanDerWaalsContact O-CD2 3.29Å; R63-F65 WeakPolarHBondContact O-CD2 3.36Å; R63-F65 PolarHBondContact O-N 3.34Å |
| 64 | G | 82.9 | Confident | 89.6 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | trans | 69.4 | 7.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | P15 | P15-G64 VanDerWaalsContact CD-O 3.31Å; P15-G64 WeakPolarHBondContact CD-O 3.33Å; P15-G64 WeakPolarHBondContact CG-O 3.5Å | ||
| 65 | F | 88.7 | Confident | 89.7 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 31% | 0.307 | 35% | 0.353 | S | S | . | . | trans | -77.9 | 153.8 | 171.7 | -70.1 | -96.1 | 0 | 0 | 0 | 110.5 | H14 Q60 R63 | H14-F65 HydrophobicContact CB-CD1 4.16Å; H14-F65 HydrophobicContact CB-CE1 3.83Å; H14-F65 AromaticContact CD2-CE1 3.69Å; H14-F65 AromaticContact CD2-CZ 3.75Å; Q60-F65 PolarHBondContact N-O 3.3Å; R63-F65 HydrophobicContact CB-CD2 3.57Å; R63-F65 HydrophobicContact CB-CE2 4.05Å; R63-F65 VanDerWaalsContact O-CD2 3.29Å; R63-F65 WeakPolarHBondContact O-CD2 3.36Å; R63-F65 PolarHBondContact O-N 3.34Å | ||
| 66 | V | 91.1 | Very high | 89.8 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 4% | 0.036 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 132.3 | 176.1 | -176 | 0 | 0 | 0 | 0 | 109.4 | L13 F18 V58 I59 Y68 | L13-V66 PolarHBondContact N-O 3.02Å; L13-V66 PolarHBondContact O-N 3.02Å; F18-V66 HydrophobicContact CE1-CB 4.35Å; F18-V66 HydrophobicContact CE1-CG2 4.42Å; F18-V66 HydrophobicContact CE2-CG2 3.97Å; F18-V66 HydrophobicContact CZ-CB 3.67Å; F18-V66 HydrophobicContact CZ-CG1 4.25Å; F18-V66 HydrophobicContact CZ-CG2 3.38Å; V58-V66 WeakPolarHBondContact O-CA 3.43Å; I59-V66 HydrophobicContact CB-CG2 4.39Å; I59-V66 HydrophobicContact CG1-CG2 3.73Å; V66-Y68 HydrophobicContact CB-CE2 3.98Å; V66-Y68 HydrophobicContact CG1-CD2 4.15Å; V66-Y68 HydrophobicContact CG1-CE2 3.54Å |
| 67 | L | 92.3 | Very high | 89.8 | Confident | 23 Ų | 23 | 57 Ų | 57 | 12% | 0.12 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 119.4 | -178.4 | -171 | 158.9 | 0 | 0 | 0 | 108.8 | E10 I11 L12 G57 V58 | E10-L67 HydrophobicContact CB-CD1 4.3Å; E10-L67 HydrophobicContact CB-CD2 3.72Å; E10-L67 HydrophobicContact CB-CG 4.02Å; E10-L67 HydrophobicContact CG-CD2 3.77Å; I11-L67 WeakPolarHBondContact O-CA 3.4Å; L12-L67 HydrophobicContact CD2-CB 4Å; L12-L67 HydrophobicContact CD2-CD1 4.08Å; L12-L67 HydrophobicContact CD2-CG 4.14Å; G57-L67 CarbonylContact C-O 3.55Å; G57-L67 VanDerWaalsContact CA-O 3.31Å; G57-L67 WeakPolarHBondContact CA-O 3.37Å; V58-L67 PolarHBondContact N-O 2.95Å; V58-L67 PolarHBondContact O-N 3.47Å |
| 68 | Y | 93.4 | Very high | 89.9 | Confident | 29 Ų | 29 | 60.4 Ų | 60.4 | 11% | 0.114 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 109.8 | 177.2 | -72.5 | -85.7 | 0 | 0 | 0 | 109.9 | I11 L13 F18 L22 V26 I54 G57 V66 V70 | I11-Y68 PolarHBondContact N-O 3.37Å; I11-Y68 PolarHBondContact O-N 2.92Å; L13-Y68 HydrophobicContact CB-CD2 4.29Å; L13-Y68 HydrophobicContact CB-CE2 4.27Å; L13-Y68 HydrophobicContact CD2-CE2 4.42Å; F18-Y68 HydrophobicContact CE1-CE2 4.18Å; F18-Y68 HydrophobicContact CZ-CE2 4.46Å; L22-Y68 HydrophobicContact CD1-CE2 4.43Å; V26-Y68 HydrophobicContact CG2-CD2 4.36Å; V26-Y68 HydrophobicContact CG2-CG 4.46Å; I54-Y68 HydrophobicContact CG2-CD1 4.44Å; G57-Y68 VanDerWaalsContact CA-CE1 3.44Å; V66-Y68 HydrophobicContact CB-CE2 3.98Å; V66-Y68 HydrophobicContact CG1-CD2 4.15Å; V66-Y68 HydrophobicContact CG1-CE2 3.54Å; Y68-V70 PolarHBondContact O-N 3.43Å |
| 69 | P | 94.2 | Very high | 89.6 | Confident | 51 Ų | 51 | 59 Ų | 59 | 33% | 0.331 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 120.6 | 172.7 | 28.5 | -29.9 | 0 | 0 | 0 | 109.4 | G55 A56 | G55-P69 WeakPolarHBondContact CA-O 3.33Å; G55-P69 PolarHBondContact N-O 3.39Å; A56-P69 WeakPolarHBondContact O-CD 3.03Å |
| 70 | V | 95.6 | Very high | 89.3 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.018 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 128.1 | -178.1 | -176.5 | 0 | 0 | 0 | 0 | 110.1 | E8 H9 I11 V26 L30 I51 I54 Y68 | E8-V70 WeakPolarHBondContact CA-O 3.29Å; H9-V70 PolarHBondContact N-O 3.18Å; H9-V70 PolarHBondContact O-N 3.48Å; I11-V70 HydrophobicContact CD1-CG2 4.07Å; V26-V70 HydrophobicContact CG1-CG2 3.9Å; L30-V70 HydrophobicContact CD1-CB 4.47Å; L30-V70 HydrophobicContact CD1-CG1 4.44Å; L30-V70 HydrophobicContact CD2-CG1 3.97Å; I51-V70 HydrophobicContact CG2-CG1 3.77Å; I54-V70 HydrophobicContact CG1-CG1 4.2Å; I54-V70 HydrophobicContact CG1-CG2 4.34Å; I54-V70 HydrophobicContact CG2-CG2 4.3Å; Y68-V70 PolarHBondContact O-N 3.43Å |
| 71 | K | 95.6 | Very high | 89.1 | Confident | 99 Ų | 99 | 65.4 Ų | 65.4 | 43% | 0.43 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.6 | 171.9 | -54.1 | -160.6 | -176.1 | -151.5 | 0 | 109.3 | L7 E8 D52 N53 | L7-K71 WeakPolarHBondContact O-CA 3.47Å; E8-K71 HydrophobicContact CG-CD 4.33Å; E8-K71 HydrophobicContact CG-CG 4.05Å; E8-K71 WeakPolarHBondContact OE1-CD 3.01Å; E8-K71 WeakPolarHBondContact OE1-CE 3.46Å; E8-K71 IonicContact OE1-NZ 2.86Å; E8-K71 PolarHBondContact OE1-NZ 3.05Å; D52-K71 PolarHBondContact N-O 3.19Å; N53-K71 PolarHBondContact N-O 3.41Å; N53-K71 VanDerWaalsContact N-O 3.16Å; N53-K71 PolarHBondContact O-N 3.01Å |
| 72 | Y | 95.6 | Very high | 89.3 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 4% | 0.043 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 157.4 | -176.8 | 65.8 | -78.9 | 0 | 0 | 0 | 110.9 | S6 L7 H9 L30 V34 V48 T50 A74 | S6-Y72 CarbonylContact C-O 3.52Å; S6-Y72 WeakPolarHBondContact CA-O 3.37Å; L7-Y72 HydrophobicContact CB-CD1 4.46Å; L7-Y72 HydrophobicContact CB-CE1 3.84Å; L7-Y72 HydrophobicContact CB-CE2 3.99Å; L7-Y72 HydrophobicContact CD1-CE2 4.19Å; L7-Y72 PolarHBondContact N-O 2.94Å; L7-Y72 WeakPolarHBondContact O-CD1 3.31Å; L7-Y72 PolarHBondContact O-N 2.87Å; L7-Y72 VanDerWaalsContact O-O 3.13Å; H9-Y72 HydrophobicContact CB-CD1 4.47Å; H9-Y72 HydrophobicContact CB-CE1 3.58Å; L30-Y72 HydrophobicContact CD1-CD1 3.99Å; L30-Y72 HydrophobicContact CD1-CE1 4.01Å; L30-Y72 HydrophobicContact CD2-CD1 4.19Å; L30-Y72 HydrophobicContact CD2-CG 4.04Å; V34-Y72 HydrophobicContact CB-CE2 4.48Å; V34-Y72 HydrophobicContact CG2-CE2 4.02Å; V48-Y72 HydrophobicContact CB-CD2 4.41Å; V48-Y72 HydrophobicContact CG1-CD2 3.86Å; V48-Y72 HydrophobicContact CG1-CG 4.38Å; V48-Y72 HydrophobicContact CG2-CD2 3.82Å; V48-Y72 HydrophobicContact CG2-CE2 3.95Å; T50-Y72 CarbonylContact O-C 3.56Å; T50-Y72 WeakPolarHBondContact O-CA 3.47Å; T50-Y72 WeakPolarHBondContact O-CB 3.37Å; Y72-A74 HydrophobicContact CD2-CB 4.04Å; Y72-A74 HydrophobicContact CE2-CB 3.83Å |
| 73 | K | 95.6 | Very high | 89.4 | Confident | 68 Ų | 68 | 60.7 Ų | 60.7 | 30% | 0.296 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 136.4 | 170.3 | -58.3 | -171.4 | -175.1 | 170.8 | 0 | 109 | I5 T49 T50 D52 | I5-K73 WeakPolarHBondContact O-CA 3.34Å; T49-K73 PolarHBondContact N-O 3.5Å; T50-K73 PolarHBondContact N-O 2.8Å; T50-K73 PolarHBondContact O-N 3.46Å; D52-K73 WeakPolarHBondContact OD1-CE 3.21Å; D52-K73 WeakPolarHBondContact OD2-CE 2.83Å; D52-K73 WeakPolarHBondContact OD2-CG 3.42Å |
| 74 | A | 95.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 152.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | I5 L7 V45 A47 Y72 V76 | I5-A74 PolarHBondContact N-O 2.84Å; I5-A74 VanDerWaalsContact N-O 3.07Å; I5-A74 PolarHBondContact O-N 3.43Å; L7-A74 HydrophobicContact CD1-CB 4.3Å; V45-A74 HydrophobicContact CG1-CB 4.05Å; A47-A74 WeakPolarHBondContact O-CA 3.44Å; A47-A74 WeakPolarHBondContact O-CB 3.49Å; Y72-A74 HydrophobicContact CD2-CB 4.04Å; Y72-A74 HydrophobicContact CE2-CB 3.83Å; A74-V76 HydrophobicContact CB-CG1 4.45Å |
| 75 | I | 93.1 | Very high | 89.6 | Confident | 63 Ų | 63 | 59.4 Ų | 59.4 | 32% | 0.323 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 120.1 | 166.4 | -60.5 | 165.8 | 0 | 0 | 0 | 106.8 | F2 Y3 I46 A47 | F2-I75 HydrophobicContact CD1-CG2 4.46Å; Y3-I75 CarbonylContact O-C 3.59Å; Y3-I75 WeakPolarHBondContact O-CA 3.43Å; I46-I75 WeakPolarHBondContact CB-O 3.31Å; I46-I75 HydrophobicContact CD1-CG2 4.03Å; I46-I75 PolarHBondContact N-O 3.08Å; A47-I75 PolarHBondContact O-N 2.95Å |
| 76 | V | 92.5 | Very high | 89.3 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 144.3 | 177.5 | -54.1 | 0 | 0 | 0 | 0 | 110.9 | F2 Y3 I5 L7 F44 V45 A74 | F2-V76 CarbonylContact C-O 3.51Å; F2-V76 WeakPolarHBondContact CA-O 3.1Å; Y3-V76 PolarHBondContact N-O 2.82Å; Y3-V76 PolarHBondContact O-N 2.81Å; I5-V76 HydrophobicContact CD1-CG1 4.01Å; I5-V76 HydrophobicContact CD1-CG2 3.67Å; I5-V76 HydrophobicContact CG1-CG1 4.05Å; I5-V76 HydrophobicContact CG1-CG2 3.87Å; L7-V76 HydrophobicContact CD1-CG1 4.16Å; F44-V76 CarbonylContact O-C 3.6Å; F44-V76 WeakPolarHBondContact O-CA 3.39Å; F44-V76 WeakPolarHBondContact O-CB 3.21Å; V45-V76 HydrophobicContact CG2-CG1 4.13Å; A74-V76 HydrophobicContact CB-CG1 4.45Å |
| 77 | F | 88.9 | Confident | 88.7 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.018 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 116.5 | 170.6 | -177.6 | -108.2 | 0 | 0 | 0 | 110.1 | F2 F44 I46 P79 L101 | F2-F77 HydrophobicContact CD1-CB 4.02Å; F2-F77 AromaticContact CD1-CD2 3.69Å; F2-F77 HydrophobicContact CD1-CD2 3.69Å; F2-F77 HydrophobicContact CD1-CG 4.32Å; F2-F77 HydrophobicContact CD2-CD2 4.46Å; F2-F77 HydrophobicContact CE1-CB 3.95Å; F2-F77 AromaticContact CE1-CD2 3.47Å; F2-F77 HydrophobicContact CE1-CD2 3.47Å; F2-F77 VanDerWaalsContact CE1-CD2 3.47Å; F2-F77 HydrophobicContact CE1-CE2 4.33Å; F2-F77 HydrophobicContact CE1-CG 4.02Å; F2-F77 HydrophobicContact CE2-CD2 4.29Å; F2-F77 HydrophobicContact CE2-CE2 4.49Å; F2-F77 HydrophobicContact CG-CD2 4.18Å; F2-F77 AromaticContact CZ-CD2 3.81Å; F2-F77 HydrophobicContact CZ-CD2 3.81Å; F2-F77 HydrophobicContact CZ-CE2 4.23Å; F44-F77 HydrophobicContact CB-CB 4.43Å; F44-F77 PolarHBondContact N-O 3.07Å; F44-F77 PolarHBondContact O-N 3.23Å; I46-F77 HydrophobicContact CD1-CB 4Å; I46-F77 HydrophobicContact CG1-CB 4.25Å; F77-P79 HydrophobicContact CE1-CB 4.04Å; F77-P79 HydrophobicContact CE1-CG 3.89Å; F77-P79 HydrophobicContact CZ-CB 4.07Å; F77-P79 HydrophobicContact CZ-CG 4.43Å; F77-L101 HydrophobicContact CE1-CD1 3.55Å; F77-L101 HydrophobicContact CZ-CD1 3.56Å |
| 78 | R | 89 | Confident | 88.3 | Confident | 102 Ų | 102 | 69.2 Ų | 69.2 | 39% | 0.385 | 38% | 0.376 | S | S | . | . | trans | -127.8 | 105 | 175.5 | -170.1 | 177.6 | -178 | -173.5 | 1.7 | 109.2 | M1 Y3 K41 F80 | M1-R78 PolarHBondContact N-O 3.21Å; M1-R78 PolarHBondContact O-N 2.85Å; Y3-R78 HydrophobicContact CD2-CB 4.33Å; Y3-R78 HydrophobicContact CE2-CB 4.3Å; K41-R78 VanDerWaalsContact O-CZ 3.28Å; K41-R78 PolarHBondContact O-NH1 3.27Å; R78-F80 HydrophobicContact CG-CZ 4.48Å | ||
| 79 | P | 83.8 | Confident | 87.8 | Confident | 63 Ų | 63 | 72 Ų | 72 | 41% | 0.409 | 40% | 0.396 | S | S | . | . | trans | -75.9 | 144.3 | 173.6 | 30.1 | -31.5 | 0 | 0 | 0 | 110.5 | F77 E83 | F77-P79 HydrophobicContact CE1-CB 4.04Å; F77-P79 HydrophobicContact CE1-CG 3.89Å; F77-P79 HydrophobicContact CZ-CB 4.07Å; F77-P79 HydrophobicContact CZ-CG 4.43Å; P79-E83 WeakPolarHBondContact CA-OE2 3.19Å | ||
| 80 | F | 83.4 | Confident | 87.3 | Confident | 100 Ų | 100 | 73.4 Ų | 73.4 | 44% | 0.439 | 40% | 0.404 | S | S | . | . | trans | -104.6 | 151.2 | 172.9 | -66.8 | -88.6 | 0 | 0 | 0 | 111.8 | Y3 R78 G82 E83 | Y3-F80 AromaticContact CE2-CE2 3.8Å; Y3-F80 HydrophobicContact CE2-CE2 3.8Å; Y3-F80 HydrophobicContact CE2-CZ 4.41Å; Y3-F80 AromaticContact CZ-CE2 3.84Å; Y3-F80 WeakPolarHBondContact OH-CE2 3.45Å; R78-F80 HydrophobicContact CG-CZ 4.48Å; F80-G82 PolarHBondContact O-N 2.86Å; F80-E83 HydrophobicContact CB-CB 4.19Å; F80-E83 PolarHBondContact N-OE2 2.86Å; F80-E83 VanDerWaalsContact O-CB 3.23Å; F80-E83 WeakPolarHBondContact O-CB 3.47Å; F80-E83 PolarHBondContact O-N 2.89Å | ||
| 81 | K | 81.9 | Confident | 86.5 | Confident | 218 Ų | 218 | 78 Ų | 78 | 95% | 0.948 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | 122.8 | 174.6 | -173.8 | -179.5 | -180 | -178.5 | 0 | 109.2 | E83 | K81-E83 VanDerWaalsContact C-N 3.35Š|
| 82 | G | 83.9 | Confident | 85.9 | Confident | 79 Ų | 79 | 77.8 Ų | 77.8 | 81% | 0.814 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85 | 5.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F80 | F80-G82 PolarHBondContact O-N 2.86Š|
| 83 | E | 81.6 | Confident | 85.4 | Confident | 56 Ų | 56 | 80.7 Ų | 80.7 | 26% | 0.262 | 45% | 0.448 | S | S | . | . | trans | -73.4 | 132.7 | 170.6 | -167.8 | -176.6 | 173.1 | 0 | 0 | 110.1 | M1 P79 F80 K81 V85 | M1-E83 VanDerWaalsContact CA-OE1 3.23Å; M1-E83 WeakPolarHBondContact CA-OE1 3.38Å; M1-E83 VanDerWaalsContact CB-OE1 3.26Å; M1-E83 WeakPolarHBondContact CB-OE1 3.47Å; M1-E83 VanDerWaalsContact N-CD 3.27Å; M1-E83 PolarHBondContact N-OE1 2.74Å; M1-E83 PolarHBondContact N-OE2 2.84Å; P79-E83 WeakPolarHBondContact CA-OE2 3.19Å; F80-E83 HydrophobicContact CB-CB 4.19Å; F80-E83 PolarHBondContact N-OE2 2.86Å; F80-E83 VanDerWaalsContact O-CB 3.23Å; F80-E83 WeakPolarHBondContact O-CB 3.47Å; F80-E83 PolarHBondContact O-N 2.89Å; K81-E83 VanDerWaalsContact C-N 3.35Å; E83-V85 HydrophobicContact CB-CG2 4.33Å; E83-V85 HydrophobicContact CG-CG2 3.83Å | ||
| 84 | V | 84.5 | Confident | 84.6 | Confident | 141 Ų | 141 | 88 Ų | 88 | 86% | 0.855 | 48% | 0.48 | S | S | * | . | trans | -88.7 | 121.3 | 172.1 | -178.2 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 85 | V | 82.6 | Confident | 83.9 | Confident | 59 Ų | 59 | 94.9 Ų | 94.9 | 36% | 0.358 | 52% | 0.521 | S | S | . | . | trans | -131.8 | 135.2 | -177.8 | -166.7 | 0 | 0 | 0 | 0 | 109.3 | E83 L101 | E83-V85 HydrophobicContact CB-CG2 4.33Å; E83-V85 HydrophobicContact CG-CG2 3.83Å; V85-L101 HydrophobicContact CB-CD2 4.18Å; V85-L101 HydrophobicContact CG1-CD2 3.67Å | ||
| 86 | D | 81.6 | Confident | 82.9 | Confident | 153 Ų | 153 | 97.4 Ų | 97.4 | 82% | 0.818 | 53% | 0.527 | S | S | * | . | trans | -71.4 | 134.2 | 173.2 | -67.3 | -35.9 | 0 | 0 | 0 | 110.4 | L101 | D86-L101 WeakPolarHBondContact O-CD2 2.99Š| ||
| 87 | A | 79.6 | Confident | 82 | Confident | 46 Ų | 46 | 102.4 Ų | 102.4 | 38% | 0.38 | 55% | 0.549 | S | S | . | . | trans | -144.3 | 148.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V99 L101 | A87-V99 HydrophobicContact CB-CB 3.68Å; A87-V99 HydrophobicContact CB-CG1 4.3Å; A87-V99 HydrophobicContact CB-CG2 3.93Å; A87-L101 HydrophobicContact CB-CD2 3.51Å; A87-L101 HydrophobicContact CB-CG 4.44Å | ||
| 88 | V | 83.4 | Confident | 81.4 | Confident | 107 Ų | 107 | 102.4 Ų | 102.4 | 65% | 0.648 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 125.5 | 175.1 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | T90 V99 G100 | V88-T90 PolarHBondContact O-N 2.83Å; V88-V99 CarbonylContact O-C 3.54Å; V88-V99 WeakPolarHBondContact O-CA 3.5Å; V88-G100 PolarHBondContact N-O 3.44Å; V88-G100 PolarHBondContact O-N 3.37Å |
| 89 | V | 82.4 | Confident | 80.9 | Confident | 86 Ų | 86 | 99.1 Ų | 99.1 | 52% | 0.521 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 118.4 | 177.1 | -178.3 | 0 | 0 | 0 | 0 | 109.4 | V92 V99 | V89-V92 HydrophobicContact CG1-CG2 3.86Å; V89-V99 HydrophobicContact CG2-CG1 4.28Å |
| 90 | T | 84.6 | Confident | 80.6 | Confident | 82 Ų | 82 | 96.5 Ų | 96.5 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | -36.6 | 179.3 | 55 | 0 | 0 | 0 | 0 | 111.8 | V88 S98 | V88-T90 PolarHBondContact O-N 2.83Å; T90-S98 PolarHBondContact N-O 3.03Å; T90-S98 PolarHBondContact OG1-O 2.99Å; T90-S98 VanDerWaalsContact OG1-O 3.11Å |
| 91 | Q | 78.9 | Confident | 80 | Confident | 100 Ų | 100 | 93.5 Ų | 93.5 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 135.5 | -179.8 | -164 | 177.6 | 18.8 | 0 | 0 | 111.7 | F97 S98 | Q91-F97 CarbonylContact O-C 3.48Å; Q91-F97 WeakPolarHBondContact O-CA 3.21Å; Q91-S98 PolarHBondContact N-O 3.23Å; Q91-S98 PolarHBondContact O-N 2.95Å |
| 92 | V | 83.1 | Confident | 78.9 | Confident | 94 Ų | 94 | 85.7 Ų | 85.7 | 57% | 0.57 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 119.5 | 174.6 | 171.9 | 0 | 0 | 0 | 0 | 108.1 | V89 F97 | V89-V92 HydrophobicContact CG1-CG2 3.86Å; V92-F97 HydrophobicContact CB-CD1 3.81Å; V92-F97 HydrophobicContact CB-CE1 3.73Å; V92-F97 HydrophobicContact CG1-CD1 3.73Å; V92-F97 HydrophobicContact CG1-CE1 3.13Å; V92-F97 HydrophobicContact CG1-CZ 3.87Å; V92-F97 HydrophobicContact CG2-CD1 3.62Å; V92-F97 HydrophobicContact CG2-CE1 3.66Å |
| 93 | N | 83.8 | Confident | 77.4 | Confident | 71 Ų | 71 | 87.8 Ų | 87.8 | 38% | 0.38 | 49% | 0.485 | S | S | . | . | trans | -117.9 | 157.6 | 168.1 | -87.7 | -49 | 0 | 0 | 0 | 110 | V95 R96 | N93-V95 PolarHBondContact O-N 3.02Å; N93-R96 CarbonylContact C-O 3.55Å; N93-R96 WeakPolarHBondContact CA-O 3.34Å; N93-R96 HydrophobicContact CB-CG 4.37Å; N93-R96 VanDerWaalsContact CB-O 3.3Å; N93-R96 WeakPolarHBondContact CB-O 3.31Å; N93-R96 PolarHBondContact N-O 2.73Å; N93-R96 PolarHBondContact O-N 2.85Å | ||
| 94 | K | 78.8 | Confident | 76.1 | Confident | 223 Ų | 223 | 92.3 Ų | 92.3 | 97% | 0.97 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -55.6 | -21.6 | 179.5 | -91 | -178.6 | 174.5 | 176.5 | 0 | 114.7 | ||
| 95 | V | 80.2 | Confident | 74.7 | Confident | 144 Ų | 144 | 87.4 Ų | 87.4 | 87% | 0.873 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -113.7 | -27.4 | -175.3 | -175 | 0 | 0 | 0 | 0 | 112.6 | N93 | N93-V95 PolarHBondContact O-N 3.02Š|
| 96 | R | 72.7 | Confident | 73.5 | Confident | 115 Ų | 115 | 89 Ų | 89 | 43% | 0.434 | 48% | 0.484 | S | S | . | . | trans | -150.9 | 159.2 | -174.5 | 71.2 | 177.1 | -174.5 | 179.3 | 1.9 | 111.5 | N93 | N93-R96 CarbonylContact C-O 3.55Å; N93-R96 WeakPolarHBondContact CA-O 3.34Å; N93-R96 HydrophobicContact CB-CG 4.37Å; N93-R96 VanDerWaalsContact CB-O 3.3Å; N93-R96 WeakPolarHBondContact CB-O 3.31Å; N93-R96 PolarHBondContact N-O 2.73Å; N93-R96 PolarHBondContact O-N 2.85Å | ||
| 97 | F | 73.9 | Confident | 72.4 | Confident | 108 Ų | 108 | 84 Ų | 84 | 47% | 0.474 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 139.9 | 172.8 | -63 | -99.5 | 0 | 0 | 0 | 108.7 | Q91 V92 | Q91-F97 CarbonylContact O-C 3.48Å; Q91-F97 WeakPolarHBondContact O-CA 3.21Å; V92-F97 HydrophobicContact CB-CD1 3.81Å; V92-F97 HydrophobicContact CB-CE1 3.73Å; V92-F97 HydrophobicContact CG1-CD1 3.73Å; V92-F97 HydrophobicContact CG1-CE1 3.13Å; V92-F97 HydrophobicContact CG1-CZ 3.87Å; V92-F97 HydrophobicContact CG2-CD1 3.62Å; V92-F97 HydrophobicContact CG2-CE1 3.66Å |
| 98 | S | 76.7 | Confident | 71.1 | Confident | 3 Ų | 3 | 87.7 Ų | 87.7 | 2% | 0.021 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 133.5 | 174.1 | -57 | 0 | 0 | 0 | 0 | 108.5 | T90 Q91 | T90-S98 PolarHBondContact N-O 3.03Å; T90-S98 PolarHBondContact OG1-O 2.99Å; T90-S98 VanDerWaalsContact OG1-O 3.11Å; Q91-S98 PolarHBondContact N-O 3.23Å; Q91-S98 PolarHBondContact O-N 2.95Å |
| 99 | V | 77.5 | Confident | 69.7 | Low | 33 Ų | 33 | 89.3 Ų | 89.3 | 20% | 0.2 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.1 | -176.2 | -64.8 | 0 | 0 | 0 | 0 | 110.1 | A87 V88 V89 I106 V107 | A87-V99 HydrophobicContact CB-CB 3.68Å; A87-V99 HydrophobicContact CB-CG1 4.3Å; A87-V99 HydrophobicContact CB-CG2 3.93Å; V88-V99 CarbonylContact O-C 3.54Å; V88-V99 WeakPolarHBondContact O-CA 3.5Å; V89-V99 HydrophobicContact CG2-CG1 4.28Å; V99-I106 WeakPolarHBondContact O-CA 3.36Å; V99-V107 HydrophobicContact CG2-CB 4.47Å; V99-V107 PolarHBondContact N-O 3.19Å; V99-V107 PolarHBondContact O-N 3.11Å |
| 100 | G | 77.1 | Confident | 69 | Low | 8 Ų | 8 | 89.5 Ų | 89.5 | 8% | 0.082 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 122.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V88 F105 | V88-G100 PolarHBondContact N-O 3.44Å; V88-G100 PolarHBondContact O-N 3.37Å; G100-F105 CarbonylContact C-O 3.4Å; G100-F105 WeakPolarHBondContact CA-O 3.29Å |
| 101 | L | 71.4 | Confident | 68.2 | Low | 38 Ų | 38 | 89.9 Ų | 89.9 | 20% | 0.199 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -19.9 | 174.4 | -67 | 173.6 | 0 | 0 | 0 | 112.5 | F77 V85 D86 A87 F105 V107 | F77-L101 HydrophobicContact CE1-CD1 3.55Å; F77-L101 HydrophobicContact CZ-CD1 3.56Å; V85-L101 HydrophobicContact CB-CD2 4.18Å; V85-L101 HydrophobicContact CG1-CD2 3.67Å; D86-L101 WeakPolarHBondContact O-CD2 2.99Å; A87-L101 HydrophobicContact CB-CD2 3.51Å; A87-L101 HydrophobicContact CB-CG 4.44Å; L101-F105 PolarHBondContact N-O 2.84Å; L101-V107 HydrophobicContact CD1-CB 4.11Å; L101-V107 HydrophobicContact CD1-CG2 3.37Å; L101-V107 HydrophobicContact CG-CG2 4.15Å |
| 102 | C | 59.4 | Low | 67.6 | Low | 54 Ų | 54 | 89.3 Ų | 89.3 | 37% | 0.365 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 165.8 | 176.6 | -135.9 | 0 | 0 | 0 | 0 | 107.8 | D104 F105 | C102-D104 PolarHBondContact O-N 2.89Å; C102-F105 HydrophobicContact CB-CB 3.83Å; C102-F105 PolarHBondContact O-N 3.19Å |
| 103 | P | 52.3 | Low | 66.7 | Low | 123 Ų | 123 | 89.1 Ų | 89.1 | 80% | 0.799 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -25.2 | -175.6 | -26.2 | 33.9 | 0 | 0 | 0 | 114.6 | ||
| 104 | D | 54.1 | Low | 65.6 | Low | 151 Ų | 151 | 90.2 Ų | 90.2 | 81% | 0.807 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.5 | 8.3 | -179.7 | -55.8 | -59.5 | 0 | 0 | 0 | 114.4 | C102 | C102-D104 PolarHBondContact O-N 2.89Š|
| 105 | F | 55.1 | Low | 64.8 | Low | 37 Ų | 37 | 81.3 Ų | 81.3 | 16% | 0.162 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 98 | -170.5 | -122.8 | -81.9 | 0 | 0 | 0 | 113.5 | F44 G100 L101 C102 | F44-F105 HydrophobicContact CB-CE1 4.08Å; F44-F105 HydrophobicContact CB-CE2 4.01Å; F44-F105 HydrophobicContact CB-CZ 3.58Å; F44-F105 AromaticContact CD1-CE1 3.59Å; F44-F105 HydrophobicContact CD1-CE1 3.59Å; F44-F105 HydrophobicContact CD1-CE2 4.03Å; F44-F105 AromaticContact CD1-CZ 3.02Å; F44-F105 HydrophobicContact CD1-CZ 3.02Å; F44-F105 HydrophobicContact CD2-CD1 4.48Å; F44-F105 AromaticContact CD2-CE1 3.44Å; F44-F105 HydrophobicContact CD2-CE1 3.44Å; F44-F105 VanDerWaalsContact CD2-CE1 3.44Å; F44-F105 AromaticContact CD2-CZ 3.73Å; F44-F105 HydrophobicContact CD2-CZ 3.73Å; F44-F105 AromaticContact CE1-CE1 3.59Å; F44-F105 HydrophobicContact CE1-CE1 3.59Å; F44-F105 AromaticContact CE1-CZ 3.33Å; F44-F105 HydrophobicContact CE1-CZ 3.33Å; F44-F105 AromaticContact CE2-CE1 3.54Å; F44-F105 HydrophobicContact CE2-CE1 3.54Å; F44-F105 HydrophobicContact CE2-CZ 4.06Å; F44-F105 AromaticContact CG-CE1 3.43Å; F44-F105 HydrophobicContact CG-CE1 3.43Å; F44-F105 VanDerWaalsContact CG-CE1 3.43Å; F44-F105 HydrophobicContact CG-CE2 4.08Å; F44-F105 AromaticContact CG-CZ 3.16Å; F44-F105 HydrophobicContact CG-CZ 3.16Å; F44-F105 AromaticContact CZ-CE1 3.58Å; F44-F105 HydrophobicContact CZ-CE1 3.58Å; F44-F105 AromaticContact CZ-CZ 3.86Å; F44-F105 HydrophobicContact CZ-CZ 3.86Å; G100-F105 CarbonylContact C-O 3.4Å; G100-F105 WeakPolarHBondContact CA-O 3.29Å; L101-F105 PolarHBondContact N-O 2.84Å; C102-F105 HydrophobicContact CB-CB 3.83Å; C102-F105 PolarHBondContact O-N 3.19Å |
| 106 | I | 57.8 | Low | 63.7 | Low | 94 Ų | 94 | 76.9 Ų | 76.9 | 48% | 0.482 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 123.1 | 175.9 | -56.3 | 173.8 | 0 | 0 | 0 | 109.9 | V99 F108 | V99-I106 WeakPolarHBondContact O-CA 3.36Å; I106-F108 HydrophobicContact CG2-CE1 4.38Å; I106-F108 HydrophobicContact CG2-CZ 4.25Å |
| 107 | V | 58.2 | Low | 63 | Low | 48 Ų | 48 | 73.9 Ų | 73.9 | 29% | 0.291 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 132.5 | 170.7 | 179.4 | 0 | 0 | 0 | 0 | 109.2 | V99 L101 | V99-V107 HydrophobicContact CG2-CB 4.47Å; V99-V107 PolarHBondContact N-O 3.19Å; V99-V107 PolarHBondContact O-N 3.11Å; L101-V107 HydrophobicContact CD1-CB 4.11Å; L101-V107 HydrophobicContact CD1-CG2 3.37Å; L101-V107 HydrophobicContact CG-CG2 4.15Å |
| 108 | F | 52.6 | Low | 62 | Low | 123 Ų | 123 | 71.1 Ų | 71.1 | 54% | 0.539 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123 | 174.7 | -60.1 | -79.7 | 0 | 0 | 0 | 108.9 | I106 | I106-F108 HydrophobicContact CG2-CE1 4.38Å; I106-F108 HydrophobicContact CG2-CZ 4.25Å |
| 109 | S | 52.4 | Low | 60.7 | Low | 141 Ų | 141 | 77.3 Ų | 77.3 | 99% | 0.986 | 45% | 0.447 | S | S | * | . | trans | -95.3 | 0 | 164.4 | -174.2 | 0 | 0 | 0 | 0 | 111.3 |
Retrieved 109 of 109 residues in 30.3 ms
(Link to these results)