| 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 | 33.8 | Very low | 53.5 | Low | 167 Ų | 167 | 86.7 Ų | 86.7 | 82% | 0.823 | 49% | 0.492 | S | S | * | . | 0 | 108.8 | 0 | -178.4 | -177.8 | -69.3 | 0 | 0 | 106.2 | H32 | M1-H32 PolarHBondContact O-CD2 3.2Å; M1-H32 VanDerWaalsContact O-CD2 3.27Å | |||
| 2 | V | 45.6 | Very low | 56.5 | Low | 70 Ų | 70 | 81.1 Ų | 81.1 | 42% | 0.424 | 46% | 0.459 | S | S | . | . | trans | -55.8 | 139.4 | -178.6 | -119.3 | 0 | 0 | 0 | 0 | 109.8 | W6 | V2-W6 HydrophobicContact CB-CB 4.45Å; V2-W6 HydrophobicContact CG1-CB 3.92Å | ||
| 3 | P | 46.3 | Very low | 59.3 | Low | 36 Ų | 36 | 86 Ų | 86 | 23% | 0.234 | 47% | 0.472 | C | S | . | . | trans | -57.9 | 152.2 | 175.8 | -14.9 | 29.8 | 0 | 0 | 0 | 109.2 | A5 W6 H32 | P3-A5 PolarHBondContact O-N 2.99Å; P3-A5 VanDerWaalsContact O-N 3.09Å; P3-W6 PolarHBondContact O-N 3.27Å; P3-H32 HydrophobicContact CG-CB 3.55Å | ||
| 4 | E | 47.8 | Very low | 61.9 | Low | 140 Ų | 140 | 82.2 Ų | 82.2 | 65% | 0.654 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -55.3 | -34.5 | -173.7 | -160.2 | 160.5 | -162.2 | 0 | 0 | 112.2 | W6 R7 L10 | E4-W6 VanDerWaalsContact C-N 3.26Å; E4-W6 PolarHBondContact O-N 3.2Å; E4-R7 PolarHBondContact O-N 3.26Å; E4-L10 WeakPolarHBondContact O-CD1 3.23Å; E4-L10 WeakPolarHBondContact O-CD2 3.48Å |
| 5 | A | 50.6 | Low | 64.2 | Low | 16 Ų | 16 | 85.7 Ų | 85.7 | 13% | 0.132 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -63.5 | -16.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | P3 L10 E29 L100 | P3-A5 PolarHBondContact O-N 2.99Å; P3-A5 VanDerWaalsContact O-N 3.09Å; A5-L10 WeakPolarHBondContact O-CB 3.29Å; A5-E29 WeakPolarHBondContact CB-OE2 3.45Å; A5-L100 WeakPolarHBondContact O-CD1 3.41Å |
| 6 | W | 54.3 | Low | 66.3 | Low | 21 Ų | 21 | 80.6 Ų | 80.6 | 8% | 0.08 | 44% | 0.435 | C | S | . | . | G | 310 helix | trans | -109.7 | 13.6 | -175 | -64.7 | 79.4 | 0 | 0 | 0 | 112.9 | V2 P3 E4 A31 Y44 L86 A88 A98 L100 | V2-W6 HydrophobicContact CB-CB 4.45Å; V2-W6 HydrophobicContact CG1-CB 3.92Å; P3-W6 PolarHBondContact O-N 3.27Å; E4-W6 VanDerWaalsContact C-N 3.26Å; E4-W6 PolarHBondContact O-N 3.2Å; W6-A31 HydrophobicContact CD2-CB 4.05Å; W6-A31 HydrophobicContact CE3-CB 4.34Å; W6-A31 HydrophobicContact CH2-CB 4.17Å; W6-A31 HydrophobicContact CZ2-CB 3.88Å; W6-A31 HydrophobicContact CZ3-CB 4.4Å; W6-Y44 HydrophobicContact CH2-CD1 4.3Å; W6-Y44 HydrophobicContact CH2-CE1 4.13Å; W6-Y44 HydrophobicContact CZ2-CE1 4.18Å; W6-L86 HydrophobicContact CH2-CD2 3.65Å; W6-L86 HydrophobicContact CH2-CG 3.96Å; W6-L86 HydrophobicContact CZ2-CD2 3.86Å; W6-A88 HydrophobicContact CH2-CB 4Å; W6-A88 HydrophobicContact CZ3-CB 3.8Å; W6-A98 HydrophobicContact CE3-CB 3.94Å; W6-A98 HydrophobicContact CZ3-CB 4.41Å; W6-L100 HydrophobicContact CD2-CB 4.43Å; W6-L100 HydrophobicContact CD2-CD2 4.32Å; W6-L100 HydrophobicContact CE3-CB 4.01Å; W6-L100 HydrophobicContact CH2-CB 4.11Å; W6-L100 HydrophobicContact CH2-CD2 4.46Å; W6-L100 HydrophobicContact CZ2-CB 4.5Å; W6-L100 HydrophobicContact CZ2-CD2 4.04Å; W6-L100 HydrophobicContact CZ3-CB 3.84Å |
| 7 | R | 53 | Low | 68.2 | Low | 126 Ų | 126 | 78.1 Ų | 78.1 | 48% | 0.475 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -82.7 | 147.4 | 172 | -61.9 | -179.9 | 179.3 | 173.5 | 1.9 | 110.1 | E4 G9 L10 | E4-R7 PolarHBondContact O-N 3.26Å; R7-G9 PolarHBondContact O-N 3.17Å; R7-L10 HydrophobicContact CB-CD1 4.05Å; R7-L10 PolarHBondContact O-N 3.23Å |
| 8 | S | 45.2 | Very low | 69.8 | Low | 132 Ų | 132 | 74.2 Ų | 74.2 | 92% | 0.923 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 112.7 | -179.9 | 57.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 9 | G | 56.3 | Low | 71.2 | Confident | 85 Ų | 85 | 74.2 Ų | 74.2 | 88% | 0.876 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111 | -2.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 116 | R7 | R7-G9 PolarHBondContact O-N 3.17Š|
| 10 | L | 72.1 | Confident | 72.5 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 39% | 0.387 | 41% | 0.405 | S | S | . | . | trans | -88.1 | 146.4 | 170.2 | -81.1 | 97.3 | 0 | 0 | 0 | 112.2 | E4 A5 R7 L100 | E4-L10 WeakPolarHBondContact O-CD1 3.23Å; E4-L10 WeakPolarHBondContact O-CD2 3.48Å; A5-L10 WeakPolarHBondContact O-CB 3.29Å; R7-L10 HydrophobicContact CB-CD1 4.05Å; R7-L10 PolarHBondContact O-N 3.23Å; L10-L100 WeakPolarHBondContact O-CD1 3.29Å | ||
| 11 | E | 83.7 | Confident | 73.7 | Confident | 87 Ų | 87 | 71.7 Ų | 71.7 | 41% | 0.407 | 41% | 0.409 | S | S | . | . | trans | -127.1 | 144.7 | 176.4 | 61.2 | -176 | 173.4 | 0 | 0 | 108.5 | K13 H103 | E11-K13 HydrophobicContact CG-CG 4.49Å; E11-K13 WeakPolarHBondContact OE1-CE 3.25Å; E11-K13 IonicContact OE1-NZ 2.77Å; E11-K13 PolarHBondContact OE1-NZ 3.36Å; E11-H103 IonicContact OE2-CE1 3.91Å; E11-H103 PolarHBondContact OE2-CE1 3.23Å; E11-H103 IonicContact OE2-CG 3.67Å; E11-H103 IonicContact OE2-ND1 3.02Å; E11-H103 PolarHBondContact OE2-ND1 2.98Å | ||
| 12 | M | 89.2 | Confident | 76.7 | Confident | 19 Ų | 19 | 67.3 Ų | 67.3 | 9% | 0.094 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 132.6 | 169.7 | -177.3 | 178.3 | -68.9 | 0 | 0 | 109 | L14 L28 E29 L100 P101 I102 H103 | M12-L14 HydrophobicContact CG-CD2 4.34Å; M12-L14 HydrophobicContact CG-CG 4.32Å; M12-L14 HydrophobicContact SD-CD1 4.46Å; M12-L14 HydrophobicContact SD-CD2 4.33Å; M12-L14 HydrophobicContact SD-CG 4.42Å; M12-L28 HydrophobicContact CE-CD2 4.39Å; M12-L28 HydrophobicContact SD-CD2 3.61Å; M12-E29 HydrophobicContact CE-CB 3.81Å; M12-E29 HydrophobicContact CE-CG 3.91Å; M12-L100 HydrophobicContact CB-CD2 4.28Å; M12-L100 HydrophobicContact CB-CG 4.45Å; M12-L100 HydrophobicContact CE-CD2 3.93Å; M12-P101 PolarHBondContact N-O 2.98Å; M12-I102 HydrophobicContact CB-CG1 4.15Å; M12-I102 HydrophobicContact CB-CG2 4.48Å; M12-I102 HydrophobicContact CG-CG2 4.47Å; M12-I102 CarbonylContact O-C 3.5Å; M12-I102 WeakPolarHBondContact O-CA 3.07Å; M12-I102 HydrophobicContact SD-CD1 4.41Å; M12-I102 HydrophobicContact SD-CG1 4.22Å; M12-I102 HydrophobicContact SD-CG2 4.47Å; M12-H103 PolarHBondContact O-N 2.8Å |
| 13 | K | 93.3 | Very high | 79.2 | Confident | 145 Ų | 145 | 66.2 Ų | 66.2 | 63% | 0.63 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 126.1 | 174.3 | -67.8 | -178.8 | -178.8 | 170.1 | 0 | 109.6 | E11 H103 | E11-K13 HydrophobicContact CG-CG 4.49Å; E11-K13 WeakPolarHBondContact OE1-CE 3.25Å; E11-K13 IonicContact OE1-NZ 2.77Å; E11-K13 PolarHBondContact OE1-NZ 3.36Å; K13-H103 WeakPolarHBondContact CA-O 3.15Å; K13-H103 HydrophobicContact CG-CB 4.45Å |
| 14 | L | 95.3 | Very high | 81.6 | Confident | 33 Ų | 33 | 67 Ų | 67 | 17% | 0.173 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 141.1 | 173.3 | -60.5 | 177.8 | 0 | 0 | 0 | 108.7 | M12 I16 L28 L68 I102 H103 I104 K105 | M12-L14 HydrophobicContact CG-CD2 4.34Å; M12-L14 HydrophobicContact CG-CG 4.32Å; M12-L14 HydrophobicContact SD-CD1 4.46Å; M12-L14 HydrophobicContact SD-CD2 4.33Å; M12-L14 HydrophobicContact SD-CG 4.42Å; L14-I16 HydrophobicContact CB-CD1 4.39Å; L14-I16 HydrophobicContact CB-CG1 4.33Å; L14-L28 HydrophobicContact CD1-CD2 4.32Å; L14-L68 HydrophobicContact CD1-CD1 3.9Å; L14-I102 HydrophobicContact CD1-CG2 3.85Å; L14-I102 HydrophobicContact CG-CG2 4.19Å; L14-H103 PolarHBondContact N-O 3.42Å; L14-I104 HydrophobicContact CB-CG1 4.3Å; L14-I104 HydrophobicContact CD1-CG1 4.41Å; L14-I104 CarbonylContact O-C 3.51Å; L14-I104 WeakPolarHBondContact O-CA 3.05Å; L14-K105 PolarHBondContact O-N 2.89Å |
| 15 | E | 97.2 | Very high | 84 | Confident | 134 Ų | 134 | 66.1 Ų | 66.1 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 116.9 | 169.8 | -59.1 | -168.1 | 154.1 | 0 | 0 | 107.2 | K105 L107 | E15-K105 WeakPolarHBondContact CA-O 3.38Å; E15-K105 HydrophobicContact CG-CB 4.35Å; E15-L107 HydrophobicContact CB-CD1 3.91Å; E15-L107 HydrophobicContact CB-CD2 4.08Å; E15-L107 HydrophobicContact CB-CG 4.01Å |
| 16 | I | 97.8 | Very high | 86.1 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 121.5 | -173.7 | -58.7 | 179 | 0 | 0 | 0 | 108 | L14 V20 F26 F52 L74 I104 K105 V106 L107 | L14-I16 HydrophobicContact CB-CD1 4.39Å; L14-I16 HydrophobicContact CB-CG1 4.33Å; I16-V20 HydrophobicContact CG2-CB 4.42Å; I16-V20 HydrophobicContact CG2-CG2 4.21Å; I16-F26 HydrophobicContact CB-CE1 4.47Å; I16-F26 HydrophobicContact CB-CZ 4.42Å; I16-F26 HydrophobicContact CD1-CD1 4.04Å; I16-F26 HydrophobicContact CD1-CD2 4.13Å; I16-F26 HydrophobicContact CD1-CE1 3.88Å; I16-F26 HydrophobicContact CD1-CE2 3.99Å; I16-F26 HydrophobicContact CD1-CG 4.15Å; I16-F26 HydrophobicContact CD1-CZ 3.84Å; I16-F26 HydrophobicContact CG1-CD1 4.25Å; I16-F26 HydrophobicContact CG1-CE1 3.85Å; I16-F26 HydrophobicContact CG1-CZ 4.09Å; I16-F26 HydrophobicContact CG2-CE1 3.92Å; I16-F26 HydrophobicContact CG2-CE2 4.3Å; I16-F26 HydrophobicContact CG2-CZ 3.49Å; I16-F26 VanDerWaalsContact CG2-CZ 3.49Å; I16-F52 HydrophobicContact CD1-CE1 4.07Å; I16-F52 HydrophobicContact CD1-CZ 3.75Å; I16-L74 HydrophobicContact CB-CD1 4.21Å; I16-L74 HydrophobicContact CG2-CD1 3.68Å; I16-I104 HydrophobicContact CB-CG2 4.19Å; I16-I104 HydrophobicContact CD1-CD1 4.46Å; I16-I104 HydrophobicContact CD1-CG2 3.8Å; I16-I104 HydrophobicContact CG1-CG2 4.01Å; I16-K105 PolarHBondContact N-O 3.24Å; I16-V106 CarbonylContact O-C 3.58Å; I16-V106 VanDerWaalsContact O-CA 3.29Å; I16-V106 WeakPolarHBondContact O-CA 3.4Å; I16-L107 PolarHBondContact O-N 2.91Å |
| 17 | S | 97.6 | Very high | 88 | Confident | 38 Ų | 38 | 70.9 Ų | 70.9 | 27% | 0.266 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 141.3 | 175.3 | 176 | 0 | 0 | 0 | 0 | 111.6 | A19 V20 L107 | S17-A19 PolarHBondContact O-N 2.74Å; S17-A19 PolarHBondContact OG-N 2.76Å; S17-V20 WeakPolarHBondContact O-CB 3.31Å; S17-V20 VanDerWaalsContact O-CG2 3.23Å; S17-V20 WeakPolarHBondContact O-CG2 3.4Å; S17-V20 PolarHBondContact O-N 2.78Å; S17-V20 VanDerWaalsContact O-N 3.15Å; S17-L107 WeakPolarHBondContact CA-O 3.44Å |
| 18 | E | 97.7 | Very high | 89.8 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 4% | 0.037 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -23.6 | 175.9 | 71.7 | -165.1 | 120.6 | 0 | 0 | 114 | V20 L74 D75 R76 V106 L107 D108 A109 | E18-V20 PolarHBondContact O-N 3.48Å; E18-V20 VanDerWaalsContact O-N 3.09Å; E18-L74 HydrophobicContact CB-CB 4.2Å; E18-D75 WeakPolarHBondContact OE2-CA 3.41Å; E18-R76 WeakPolarHBondContact OE1-CB 3.4Å; E18-R76 VanDerWaalsContact OE2-CB 3.29Å; E18-R76 WeakPolarHBondContact OE2-CB 3.47Å; E18-R76 PolarHBondContact OE2-N 2.87Å; E18-V106 HydrophobicContact CB-CG1 3.82Å; E18-L107 PolarHBondContact N-O 3.42Å; E18-D108 VanDerWaalsContact OE1-CA 3.26Å; E18-D108 WeakPolarHBondContact OE1-CA 3.21Å; E18-A109 HydrophobicContact CG-CB 3.65Å; E18-A109 PolarHBondContact OE1-N 2.83Å |
| 19 | A | 96.6 | Very high | 91.6 | Very high | 75 Ų | 75 | 64.4 Ų | 64.4 | 62% | 0.62 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -4.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S17 A21 A109 | S17-A19 PolarHBondContact O-N 2.74Å; S17-A19 PolarHBondContact OG-N 2.76Å; A19-A21 PolarHBondContact O-N 2.9Å; A19-A109 HydrophobicContact CB-CB 3.79Å |
| 20 | V | 97.3 | Very high | 92.9 | Very high | 35 Ų | 35 | 63.3 Ų | 63.3 | 21% | 0.212 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 125.1 | 177.7 | 174.7 | 0 | 0 | 0 | 0 | 110.7 | I16 S17 E18 T24 F26 L70 | I16-V20 HydrophobicContact CG2-CB 4.42Å; I16-V20 HydrophobicContact CG2-CG2 4.21Å; S17-V20 WeakPolarHBondContact O-CB 3.31Å; S17-V20 VanDerWaalsContact O-CG2 3.23Å; S17-V20 WeakPolarHBondContact O-CG2 3.4Å; S17-V20 PolarHBondContact O-N 2.78Å; S17-V20 VanDerWaalsContact O-N 3.15Å; E18-V20 PolarHBondContact O-N 3.48Å; E18-V20 VanDerWaalsContact O-N 3.09Å; V20-T24 HydrophobicContact CG1-CG2 3.56Å; V20-T24 VanDerWaalsContact CG1-OG1 3.29Å; V20-T24 WeakPolarHBondContact CG1-OG1 3.41Å; V20-F26 HydrophobicContact CG1-CZ 3.95Å; V20-L70 HydrophobicContact CB-CD2 4.31Å; V20-L70 HydrophobicContact CG1-CD2 3.98Å; V20-L70 WeakPolarHBondContact O-CD2 3.32Å |
| 21 | A | 97.2 | Very high | 93.3 | Very high | 61 Ų | 61 | 60.5 Ų | 60.5 | 50% | 0.504 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 143.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A19 T24 | A19-A21 PolarHBondContact O-N 2.9Å; A21-T24 WeakPolarHBondContact O-CB 3.49Å; A21-T24 PolarHBondContact O-N 3.01Å; A21-T24 PolarHBondContact O-OG1 3.16Å |
| 22 | P | 97.8 | Very high | 93.2 | Very high | 75 Ų | 75 | 61.3 Ų | 61.3 | 49% | 0.487 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 144 | 167.2 | -26.3 | 35.2 | 0 | 0 | 0 | 112.4 | L70 A73 | P22-L70 CarbonylContact C-O 3.57Å; P22-L70 WeakPolarHBondContact CA-O 3.39Å; P22-A73 HydrophobicContact CG-CB 4.4Å |
| 23 | G | 96.9 | Very high | 92.7 | Very high | 46 Ų | 46 | 62.4 Ų | 62.4 | 47% | 0.474 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | -13.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L70 | G23-L70 PolarHBondContact N-O 2.92Š|
| 24 | T | 97.7 | Very high | 92.2 | Very high | 52 Ų | 52 | 59.6 Ų | 59.6 | 32% | 0.319 | 35% | 0.353 | S | S | . | . | trans | -64.4 | 141.9 | 176.3 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | V20 A21 F26 V69 L70 | V20-T24 HydrophobicContact CG1-CG2 3.56Å; V20-T24 VanDerWaalsContact CG1-OG1 3.29Å; V20-T24 WeakPolarHBondContact CG1-OG1 3.41Å; A21-T24 WeakPolarHBondContact O-CB 3.49Å; A21-T24 PolarHBondContact O-N 3.01Å; A21-T24 PolarHBondContact O-OG1 3.16Å; T24-F26 HydrophobicContact CG2-CE1 4.39Å; T24-F26 HydrophobicContact CG2-CE2 4.07Å; T24-F26 HydrophobicContact CG2-CZ 3.89Å; T24-V69 WeakPolarHBondContact O-CA 3.43Å; T24-L70 PolarHBondContact O-N 2.78Å | ||
| 25 | R | 96.8 | Very high | 91.7 | Very high | 123 Ų | 123 | 62.1 Ų | 62.1 | 46% | 0.464 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 136 | -174.8 | -51.2 | -171.9 | -171.4 | 155.6 | 8.5 | 111.2 | R55 L68 V69 | R25-R55 VanDerWaalsContact CZ-NH1 3.32Å; R25-R55 VanDerWaalsContact NH2-NH1 3.17Å; R25-L68 CarbonylContact C-O 3.52Å; R25-L68 VanDerWaalsContact CA-O 3.24Å; R25-L68 WeakPolarHBondContact CA-O 3.39Å; R25-V69 HydrophobicContact CG-CG2 4.17Å |
| 26 | F | 95.8 | Very high | 91 | Very high | 37 Ų | 37 | 61.7 Ų | 61.7 | 16% | 0.162 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 114.7 | 178.9 | -55 | -89.9 | 0 | 0 | 0 | 108.6 | I16 V20 T24 L28 F52 E67 L68 L70 | I16-F26 HydrophobicContact CB-CE1 4.47Å; I16-F26 HydrophobicContact CB-CZ 4.42Å; I16-F26 HydrophobicContact CD1-CD1 4.04Å; I16-F26 HydrophobicContact CD1-CD2 4.13Å; I16-F26 HydrophobicContact CD1-CE1 3.88Å; I16-F26 HydrophobicContact CD1-CE2 3.99Å; I16-F26 HydrophobicContact CD1-CG 4.15Å; I16-F26 HydrophobicContact CD1-CZ 3.84Å; I16-F26 HydrophobicContact CG1-CD1 4.25Å; I16-F26 HydrophobicContact CG1-CE1 3.85Å; I16-F26 HydrophobicContact CG1-CZ 4.09Å; I16-F26 HydrophobicContact CG2-CE1 3.92Å; I16-F26 HydrophobicContact CG2-CE2 4.3Å; I16-F26 HydrophobicContact CG2-CZ 3.49Å; I16-F26 VanDerWaalsContact CG2-CZ 3.49Å; V20-F26 HydrophobicContact CG1-CZ 3.95Å; T24-F26 HydrophobicContact CG2-CE1 4.39Å; T24-F26 HydrophobicContact CG2-CE2 4.07Å; T24-F26 HydrophobicContact CG2-CZ 3.89Å; F26-L28 PolarHBondContact O-N 2.68Å; F26-F52 HydrophobicContact CD2-CE1 4.12Å; F26-F52 HydrophobicContact CE2-CE1 4.02Å; F26-E67 CarbonylContact O-C 3.37Å; F26-E67 VanDerWaalsContact O-CA 3.26Å; F26-E67 WeakPolarHBondContact O-CA 3.33Å; F26-L68 HydrophobicContact CB-CB 4.3Å; F26-L68 HydrophobicContact CD2-CB 4.49Å; F26-L68 PolarHBondContact N-O 2.83Å; F26-L68 PolarHBondContact O-N 3.34Å; F26-L70 HydrophobicContact CE2-CB 4.25Å |
| 27 | P | 92.9 | Very high | 90.3 | Very high | 100 Ų | 100 | 64.2 Ų | 64.2 | 65% | 0.649 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 135.8 | 177.8 | 27.7 | -33.3 | 0 | 0 | 0 | 110.3 | ||
| 28 | L | 91.3 | Very high | 89.6 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 6% | 0.063 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -101.7 | 152.4 | 173.2 | -59.8 | 175.2 | 0 | 0 | 0 | 110.1 | M12 L14 F26 S30 L54 A66 L68 L86 I102 | M12-L28 HydrophobicContact CE-CD2 4.39Å; M12-L28 HydrophobicContact SD-CD2 3.61Å; L14-L28 HydrophobicContact CD1-CD2 4.32Å; F26-L28 PolarHBondContact O-N 2.68Å; L28-S30 PolarHBondContact O-N 3.48Å; L28-L54 HydrophobicContact CD1-CD1 3.71Å; L28-A66 HydrophobicContact CB-CB 4.47Å; L28-A66 WeakPolarHBondContact CB-O 3.21Å; L28-A66 HydrophobicContact CD1-CB 4.12Å; L28-A66 PolarHBondContact N-O 2.74Å; L28-L68 HydrophobicContact CD1-CD2 3.96Å; L28-L68 HydrophobicContact CD1-CG 3.76Å; L28-L68 HydrophobicContact CD2-CD1 3.88Å; L28-L68 HydrophobicContact CD2-CG 3.83Å; L28-L68 HydrophobicContact CG-CG 4.02Å; L28-L86 HydrophobicContact CB-CD2 4.38Å; L28-L86 HydrophobicContact CD1-CD1 3.99Å; L28-L86 HydrophobicContact CD1-CD2 3.86Å; L28-I102 HydrophobicContact CD1-CD1 4.37Å; L28-I102 HydrophobicContact CD2-CD1 4.12Å |
| 29 | E | 83.7 | Confident | 88.8 | Confident | 110 Ų | 110 | 69.2 Ų | 69.2 | 51% | 0.514 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 131.5 | 171.8 | -65.3 | -172.3 | 178.7 | 0 | 0 | 110.9 | A5 M12 | A5-E29 WeakPolarHBondContact CB-OE2 3.45Å; M12-E29 HydrophobicContact CE-CB 3.81Å; M12-E29 HydrophobicContact CE-CG 3.91Å |
| 30 | S | 82.3 | Confident | 88.3 | Confident | 62 Ų | 62 | 67.1 Ų | 67.1 | 43% | 0.434 | 41% | 0.41 | S | S | . | . | P | Polyproline II helix | trans | -77.9 | 137.4 | 178.6 | 56.3 | 0 | 0 | 0 | 0 | 111.4 | L28 Y44 | L28-S30 PolarHBondContact O-N 3.48Å; S30-Y44 VanDerWaalsContact CA-OH 3.22Å; S30-Y44 WeakPolarHBondContact CA-OH 3.47Å; S30-Y44 WeakPolarHBondContact CB-OH 3.5Å |
| 31 | A | 81.4 | Confident | 87.8 | Confident | 14 Ų | 14 | 66.5 Ų | 66.5 | 12% | 0.116 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 149.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | W6 L41 Y44 A88 | W6-A31 HydrophobicContact CD2-CB 4.05Å; W6-A31 HydrophobicContact CE3-CB 4.34Å; W6-A31 HydrophobicContact CH2-CB 4.17Å; W6-A31 HydrophobicContact CZ2-CB 3.88Å; W6-A31 HydrophobicContact CZ3-CB 4.4Å; A31-L41 HydrophobicContact CB-CD1 4.25Å; A31-L41 HydrophobicContact CB-CD2 4.35Å; A31-Y44 HydrophobicContact CB-CE1 3.85Å; A31-Y44 PolarHBondContact N-OH 3.46Å; A31-A88 HydrophobicContact CB-CB 3.67Å |
| 32 | H | 80.6 | Confident | 87.5 | Confident | 104 Ų | 104 | 66.9 Ų | 66.9 | 48% | 0.481 | 40% | 0.397 | S | S | . | . | trans | -120.8 | 122.4 | 176.4 | 178.1 | 77.8 | 0 | 0 | 0 | 110.2 | M1 P3 | M1-H32 PolarHBondContact O-CD2 3.2Å; M1-H32 VanDerWaalsContact O-CD2 3.27Å; P3-H32 HydrophobicContact CG-CB 3.55Å | ||
| 33 | D | 79.9 | Confident | 87.1 | Confident | 42 Ų | 42 | 65.7 Ų | 65.7 | 23% | 0.225 | 39% | 0.389 | C | S | . | . | trans | -113.7 | 119.7 | 176.8 | -164.4 | -35.7 | 0 | 0 | 0 | 108.8 | D35 L41 | D33-D35 PolarHBondContact O-N 2.95Å; D33-D35 WeakPolarHBondContact OD1-CB 3.22Å; D33-D35 PolarHBondContact OD1-N 3.1Å; D33-L41 HydrophobicContact CB-CB 3.99Å; D33-L41 PolarHBondContact OD2-N 2.92Å | ||
| 34 | P | 83.4 | Confident | 87 | Confident | 87 Ų | 87 | 63.8 Ų | 63.8 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | trans | -74.1 | -11.7 | -180 | 32.1 | -35.9 | 0 | 0 | 0 | 113.8 | ||||
| 35 | D | 83.6 | Confident | 86.9 | Confident | 86 Ų | 86 | 66.8 Ų | 66.8 | 46% | 0.46 | 38% | 0.378 | S | S | . | . | trans | -73.7 | 168.2 | 178.6 | -69.3 | -20 | 0 | 0 | 0 | 111.4 | D33 N39 S40 | D33-D35 PolarHBondContact O-N 2.95Å; D33-D35 WeakPolarHBondContact OD1-CB 3.22Å; D33-D35 PolarHBondContact OD1-N 3.1Å; D35-N39 HydrophobicContact CB-CB 3.89Å; D35-S40 WeakPolarHBondContact O-CB 3.49Å | ||
| 36 | V | 82.5 | Confident | 86.9 | Confident | 125 Ų | 125 | 62.6 Ų | 62.6 | 76% | 0.758 | 36% | 0.364 | S | S | * | . | trans | -123.6 | 157.4 | -176.2 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 37 | G | 83 | Confident | 86.9 | Confident | 57 Ų | 57 | 62.7 Ų | 62.7 | 59% | 0.588 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | 69.8 | -133.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N39 S40 Q42 | G37-N39 PolarHBondContact O-N 3.33Å; G37-S40 PolarHBondContact O-N 3.48Å; G37-S40 PolarHBondContact O-OG 2.88Å; G37-Q42 PolarHBondContact O-NE2 3.43Å; G37-Q42 VanDerWaalsContact O-NE2 3.16Å |
| 38 | S | 83.4 | Confident | 87.1 | Confident | 77 Ų | 77 | 70 Ų | 70 | 54% | 0.538 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -69.9 | -21.1 | -179.6 | 53.7 | 0 | 0 | 0 | 0 | 113.6 | S40 Q42 G91 | S38-S40 VanDerWaalsContact C-N 3.32Å; S38-Q42 PolarHBondContact O-NE2 3.25Å; S38-G91 CarbonylContact O-C 3.09Å; S38-G91 WeakPolarHBondContact O-CA 3.44Å; S38-G91 PolarHBondContact O-N 3.44Å |
| 39 | N | 81.1 | Confident | 87.3 | Confident | 73 Ų | 73 | 71.7 Ų | 71.7 | 39% | 0.39 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -84.9 | -8.8 | -177.7 | -62.1 | -12.3 | 0 | 0 | 0 | 112.5 | D35 G37 | D35-N39 HydrophobicContact CB-CB 3.89Å; G37-N39 PolarHBondContact O-N 3.33Å |
| 40 | S | 84.9 | Confident | 87.9 | Confident | 31 Ų | 31 | 71.6 Ų | 71.6 | 22% | 0.217 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -79.4 | 170.6 | 172.9 | 74.4 | 0 | 0 | 0 | 0 | 111.1 | D35 G37 S38 Q42 | D35-S40 WeakPolarHBondContact O-CB 3.49Å; G37-S40 PolarHBondContact O-N 3.48Å; G37-S40 PolarHBondContact O-OG 2.88Å; S38-S40 VanDerWaalsContact C-N 3.32Å; S40-Q42 WeakPolarHBondContact O-CG 3.37Å; S40-Q42 PolarHBondContact O-N 2.81Å; S40-Q42 VanDerWaalsContact O-N 3.15Å; S40-Q42 PolarHBondContact O-NE2 2.83Å |
| 41 | L | 87.4 | Confident | 88.7 | Confident | 22 Ų | 22 | 69.4 Ų | 69.4 | 12% | 0.115 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -45.6 | 117.7 | 173 | 176.5 | 72.1 | 0 | 0 | 0 | 112.5 | A31 D33 Y44 K64 A88 | A31-L41 HydrophobicContact CB-CD1 4.25Å; A31-L41 HydrophobicContact CB-CD2 4.35Å; D33-L41 HydrophobicContact CB-CB 3.99Å; D33-L41 PolarHBondContact OD2-N 2.92Å; L41-Y44 HydrophobicContact CD1-CE1 4.37Å; L41-Y44 HydrophobicContact CD2-CE1 4.39Å; L41-Y44 HydrophobicContact CD2-CE2 3.83Å; L41-Y44 WeakPolarHBondContact CD2-OH 3.31Å; L41-K64 HydrophobicContact CD2-CB 4.31Å; L41-A88 HydrophobicContact CD1-CB 3.74Å |
| 42 | Q | 89.9 | Confident | 89.5 | Confident | 70 Ų | 70 | 69.2 Ų | 69.2 | 33% | 0.327 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | -37 | -178.9 | -65.1 | -53.1 | -49.8 | 0 | 0 | 113.5 | G37 S38 S40 K64 L89 G91 | G37-Q42 PolarHBondContact O-NE2 3.43Å; G37-Q42 VanDerWaalsContact O-NE2 3.16Å; S38-Q42 PolarHBondContact O-NE2 3.25Å; S40-Q42 WeakPolarHBondContact O-CG 3.37Å; S40-Q42 PolarHBondContact O-N 2.81Å; S40-Q42 VanDerWaalsContact O-N 3.15Å; S40-Q42 PolarHBondContact O-NE2 2.83Å; Q42-K64 WeakPolarHBondContact O-CD 3.47Å; Q42-K64 WeakPolarHBondContact O-CE 3.18Å; Q42-L89 PolarHBondContact N-O 3.17Å; Q42-G91 VanDerWaalsContact CG-N 3.26Å |
| 43 | T | 91.3 | Very high | 90.3 | Very high | 50 Ų | 50 | 66 Ų | 66 | 31% | 0.307 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 172.5 | -178.6 | -163.8 | 0 | 0 | 0 | 0 | 112.4 | L89 | T43-L89 HydrophobicContact CG2-CB 4.09Å; T43-L89 HydrophobicContact CG2-CD1 3.99Å; T43-L89 PolarHBondContact N-O 3.36Å; T43-L89 PolarHBondContact O-N 3.36Å |
| 44 | Y | 94.3 | Very high | 91.1 | Very high | 6 Ų | 6 | 66 Ų | 66 | 2% | 0.024 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 150.2 | 167.4 | -58.3 | -93.8 | 0 | 0 | 0 | 109.9 | W6 S30 A31 L41 L54 V56 K64 A66 L86 T87 A88 | W6-Y44 HydrophobicContact CH2-CD1 4.3Å; W6-Y44 HydrophobicContact CH2-CE1 4.13Å; W6-Y44 HydrophobicContact CZ2-CE1 4.18Å; S30-Y44 VanDerWaalsContact CA-OH 3.22Å; S30-Y44 WeakPolarHBondContact CA-OH 3.47Å; S30-Y44 WeakPolarHBondContact CB-OH 3.5Å; A31-Y44 HydrophobicContact CB-CE1 3.85Å; A31-Y44 PolarHBondContact N-OH 3.46Å; L41-Y44 HydrophobicContact CD1-CE1 4.37Å; L41-Y44 HydrophobicContact CD2-CE1 4.39Å; L41-Y44 HydrophobicContact CD2-CE2 3.83Å; L41-Y44 WeakPolarHBondContact CD2-OH 3.31Å; Y44-L54 WeakPolarHBondContact O-CD2 3.39Å; Y44-V56 HydrophobicContact CD2-CG1 4.12Å; Y44-V56 HydrophobicContact CD2-CG2 4.21Å; Y44-K64 HydrophobicContact CE2-CB 4.14Å; Y44-K64 WeakPolarHBondContact CE2-O 3.42Å; Y44-K64 PolarHBondContact OH-O 2.96Å; Y44-K64 VanDerWaalsContact OH-O 3.09Å; Y44-A66 HydrophobicContact CD2-CB 3.93Å; Y44-A66 HydrophobicContact CE2-CB 4.39Å; Y44-A66 HydrophobicContact CG-CB 4.03Å; Y44-L86 HydrophobicContact CD1-CD1 4.3Å; Y44-L86 HydrophobicContact CD1-CD2 4.27Å; Y44-L86 HydrophobicContact CD1-CG 4.27Å; Y44-T87 CarbonylContact C-O 3.55Å; Y44-T87 VanDerWaalsContact CA-O 3.25Å; Y44-T87 WeakPolarHBondContact CA-O 3.4Å; Y44-A88 HydrophobicContact CD1-CB 3.99Å; Y44-A88 HydrophobicContact CE1-CB 4.02Å |
| 45 | E | 94.9 | Very high | 91.7 | Very high | 115 Ų | 115 | 66.8 Ų | 66.8 | 54% | 0.537 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 145.2 | 172.7 | -69.4 | -176.2 | 175 | 0 | 0 | 110 | T87 L89 | E45-T87 PolarHBondContact N-O 3.24Å; E45-T87 PolarHBondContact O-N 2.83Å; E45-L89 HydrophobicContact CB-CD1 4.31Å; E45-L89 VanDerWaalsContact CD-CD1 3.41Å; E45-L89 HydrophobicContact CG-CD1 3.66Å |
| 46 | L | 96.8 | Very high | 92.2 | Very high | 35 Ų | 35 | 65.1 Ų | 65.1 | 18% | 0.183 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 139.1 | 178.2 | -173.9 | 70.6 | 0 | 0 | 0 | 109.4 | F52 L54 L68 L84 I102 | L46-F52 HydrophobicContact CD2-CB 4.21Å; L46-L54 HydrophobicContact CB-CB 3.8Å; L46-L54 HydrophobicContact CB-CD1 4.35Å; L46-L54 HydrophobicContact CB-CD2 4.07Å; L46-L54 HydrophobicContact CB-CG 4.3Å; L46-L54 HydrophobicContact CD2-CB 4.29Å; L46-L68 HydrophobicContact CD1-CD2 3.89Å; L46-L68 HydrophobicContact CD2-CD2 3.58Å; L46-L68 HydrophobicContact CG-CD2 4.38Å; L46-L84 HydrophobicContact CD1-CB 4.05Å; L46-L84 HydrophobicContact CD1-CD1 4.24Å; L46-L84 HydrophobicContact CD2-CD1 4.45Å; L46-I102 HydrophobicContact CD1-CD1 4.48Å |
| 47 | S | 97.2 | Very high | 92.6 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | trans | -54.6 | 142.6 | 171.6 | 59.2 | 0 | 0 | 0 | 0 | 111.8 | N49 L84 V85 | S47-N49 PolarHBondContact O-N 2.92Å; S47-N49 PolarHBondContact O-ND2 2.9Å; S47-L84 WeakPolarHBondContact OG-CA 3.35Å; S47-V85 PolarHBondContact N-O 2.91Å; S47-V85 PolarHBondContact OG-N 2.79Å | ||
| 48 | R | 96.3 | Very high | 93 | Very high | 252 Ų | 252 | 62.5 Ų | 62.5 | 95% | 0.951 | 32% | 0.317 | S | S | * | . | trans | -55.5 | 128.9 | 176.5 | -174.2 | -179.3 | -177.5 | -156.5 | -0.9 | 110.8 | ||||
| 49 | N | 96.3 | Very high | 93.1 | Very high | 49 Ų | 49 | 65.8 Ų | 65.8 | 26% | 0.262 | 32% | 0.318 | S | S | . | . | trans | -155.1 | 173.1 | 179 | 72.9 | 89.8 | 0 | 0 | 0 | 110 | S47 Y51 F52 L84 | S47-N49 PolarHBondContact O-N 2.92Å; S47-N49 PolarHBondContact O-ND2 2.9Å; N49-Y51 PolarHBondContact OD1-N 2.87Å; N49-F52 PolarHBondContact ND2-O 3.47Å; N49-F52 PolarHBondContact OD1-N 2.92Å; N49-F52 PolarHBondContact OD1-O 3.26Å; N49-L84 HydrophobicContact CB-CD2 3.45Å; N49-L84 VanDerWaalsContact CB-CD2 3.45Å | ||
| 50 | E | 96.1 | Very high | 93.5 | Very high | 108 Ų | 108 | 72.1 Ų | 72.1 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -93 | -21.2 | -177.1 | -65.6 | -161.3 | -174.7 | 0 | 0 | 114.8 | R72 | E50-R72 WeakPolarHBondContact O-CD 3.35Å; E50-R72 IonicContact OE2-CZ 2.7Å; E50-R72 IonicContact OE2-NH1 2.87Å; E50-R72 PolarHBondContact OE2-NH1 3.36Å |
| 51 | Y | 97.6 | Very high | 93.5 | Very high | 15 Ų | 15 | 75.5 Ų | 75.5 | 6% | 0.059 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -108 | -33 | -163.4 | -56.2 | -82.5 | 0 | 0 | 0 | 114.2 | N49 E71 R72 L74 E79 L82 | N49-Y51 PolarHBondContact OD1-N 2.87Å; Y51-E71 PolarHBondContact O-N 2.91Å; Y51-R72 HydrophobicContact CD1-CB 4.31Å; Y51-R72 PolarHBondContact O-N 2.97Å; Y51-L74 HydrophobicContact CD1-CD2 3.77Å; Y51-L74 HydrophobicContact CE1-CD2 4.42Å; Y51-L74 HydrophobicContact CG-CD2 3.87Å; Y51-E79 WeakPolarHBondContact CE2-OE2 3.44Å; Y51-E79 VanDerWaalsContact CZ-OE2 3.3Å; Y51-E79 PolarHBondContact OH-OE2 2.83Å; Y51-L82 HydrophobicContact CD2-CD1 3.88Å; Y51-L82 HydrophobicContact CD2-CD2 3.69Å; Y51-L82 HydrophobicContact CD2-CG 4.47Å; Y51-L82 HydrophobicContact CE2-CD1 4.4Å; Y51-L82 HydrophobicContact CE2-CD2 3.53Å; Y51-L82 HydrophobicContact CG-CD1 4.34Å |
| 52 | F | 98 | Very high | 93.2 | Very high | 10 Ų | 10 | 78.9 Ų | 78.9 | 4% | 0.044 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 131.2 | -169.9 | -67.5 | -82.1 | 0 | 0 | 0 | 112.4 | I16 F26 L46 N49 L68 V69 L70 L74 L82 L84 I104 | I16-F52 HydrophobicContact CD1-CE1 4.07Å; I16-F52 HydrophobicContact CD1-CZ 3.75Å; F26-F52 HydrophobicContact CD2-CE1 4.12Å; F26-F52 HydrophobicContact CE2-CE1 4.02Å; L46-F52 HydrophobicContact CD2-CB 4.21Å; N49-F52 PolarHBondContact ND2-O 3.47Å; N49-F52 PolarHBondContact OD1-N 2.92Å; N49-F52 PolarHBondContact OD1-O 3.26Å; F52-L68 HydrophobicContact CB-CD2 4.28Å; F52-L68 HydrophobicContact CD1-CB 3.89Å; F52-L68 HydrophobicContact CD1-CD1 4.39Å; F52-L68 HydrophobicContact CE1-CB 4.47Å; F52-V69 WeakPolarHBondContact CA-O 3.23Å; F52-L70 HydrophobicContact CD1-CB 4.34Å; F52-L70 HydrophobicContact CD1-CD1 4.07Å; F52-L70 HydrophobicContact CE1-CB 4.04Å; F52-L70 HydrophobicContact CE1-CD1 3.57Å; F52-L70 HydrophobicContact CE1-CG 4.42Å; F52-L70 HydrophobicContact CE2-CD1 4.14Å; F52-L70 HydrophobicContact CZ-CD1 3.6Å; F52-L74 HydrophobicContact CE2-CD2 4.13Å; F52-L74 HydrophobicContact CZ-CD1 4.29Å; F52-L74 HydrophobicContact CZ-CD2 4.36Å; F52-L82 HydrophobicContact CD2-CD1 4.33Å; F52-L82 HydrophobicContact CE2-CD1 3.71Å; F52-L84 HydrophobicContact CB-CD1 4.27Å; F52-L84 HydrophobicContact CD2-CD1 3.97Å; F52-L84 HydrophobicContact CG-CD1 4.35Å; F52-I104 HydrophobicContact CD2-CD1 3.96Å; F52-I104 HydrophobicContact CE2-CD1 3.48Å; F52-I104 VanDerWaalsContact CE2-CD1 3.48Å; F52-I104 HydrophobicContact CZ-CD1 3.87Å |
| 53 | A | 97.4 | Very high | 93 | Very high | 36 Ų | 36 | 78.7 Ų | 78.7 | 30% | 0.298 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 157 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V69 E71 | A53-V69 PolarHBondContact N-O 3.49Å; A53-V69 PolarHBondContact O-N 2.82Å; A53-E71 HydrophobicContact CB-CG 3.67Å |
| 54 | L | 97.5 | Very high | 92.8 | Very high | 42 Ų | 42 | 78.8 Ų | 78.8 | 22% | 0.22 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 127.5 | 173.9 | -166.7 | 71.5 | 0 | 0 | 0 | 110 | L28 Y44 L46 V56 A66 L68 L86 | L28-L54 HydrophobicContact CD1-CD1 3.71Å; Y44-L54 WeakPolarHBondContact O-CD2 3.39Å; L46-L54 HydrophobicContact CB-CB 3.8Å; L46-L54 HydrophobicContact CB-CD1 4.35Å; L46-L54 HydrophobicContact CB-CD2 4.07Å; L46-L54 HydrophobicContact CB-CG 4.3Å; L46-L54 HydrophobicContact CD2-CB 4.29Å; L54-V56 HydrophobicContact CD2-CG2 4.16Å; L54-V56 HydrophobicContact CG-CG2 4.4Å; L54-A66 HydrophobicContact CD1-CB 3.86Å; L54-A66 HydrophobicContact CG-CB 4.33Å; L54-L68 HydrophobicContact CD1-CD2 4.07Å; L54-L86 HydrophobicContact CD1-CD1 3.8Å; L54-L86 HydrophobicContact CD2-CD1 3.92Å |
| 55 | R | 95.9 | Very high | 92.6 | Very high | 104 Ų | 104 | 81 Ų | 81 | 39% | 0.392 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 113.5 | 171.7 | -174.8 | 176.5 | -178.9 | 148.5 | -0.5 | 109.7 | R25 Q57 A66 E67 V69 | R25-R55 VanDerWaalsContact CZ-NH1 3.32Å; R25-R55 VanDerWaalsContact NH2-NH1 3.17Å; R55-Q57 HydrophobicContact CG-CG 4.18Å; R55-A66 CarbonylContact O-C 3.49Å; R55-A66 WeakPolarHBondContact O-CA 3.18Å; R55-E67 PolarHBondContact N-O 3.45Å; R55-E67 PolarHBondContact O-N 3.33Å; R55-V69 HydrophobicContact CB-CG2 3.82Å |
| 56 | V | 94.8 | Very high | 92.5 | Very high | 51 Ų | 51 | 75.5 Ų | 75.5 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 128.6 | 173.8 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | Y44 L54 K64 Y65 | Y44-V56 HydrophobicContact CD2-CG1 4.12Å; Y44-V56 HydrophobicContact CD2-CG2 4.21Å; L54-V56 HydrophobicContact CD2-CG2 4.16Å; L54-V56 HydrophobicContact CG-CG2 4.4Å; V56-K64 HydrophobicContact CG1-CB 4.38Å; V56-Y65 WeakPolarHBondContact CA-O 3.4Å |
| 57 | Q | 90.8 | Very high | 92.5 | Very high | 49 Ų | 49 | 75.2 Ų | 75.2 | 23% | 0.229 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 149.8 | 176.9 | -59.9 | -156.3 | 74.3 | 0 | 0 | 109.8 | R55 K64 Y65 E67 | R55-Q57 HydrophobicContact CG-CG 4.18Å; Q57-K64 WeakPolarHBondContact O-CA 3.42Å; Q57-Y65 HydrophobicContact CB-CD1 4.19Å; Q57-Y65 HydrophobicContact CB-CE1 3.58Å; Q57-Y65 HydrophobicContact CB-CE2 3.96Å; Q57-Y65 VanDerWaalsContact CB-CZ 3.46Å; Q57-Y65 HydrophobicContact CG-CE2 4.36Å; Q57-Y65 PolarHBondContact N-O 2.78Å; Q57-Y65 PolarHBondContact NE2-OH 2.67Å; Q57-Y65 PolarHBondContact O-N 2.88Å; Q57-E67 PolarHBondContact NE2-OE1 2.84Å; Q57-E67 PolarHBondContact NE2-OE2 3.36Å |
| 58 | T | 90.4 | Very high | 92.5 | Very high | 78 Ų | 78 | 73.4 Ų | 73.4 | 48% | 0.479 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.3 | 176.8 | -53.8 | 0 | 0 | 0 | 0 | 108 | T63 K64 | T58-T63 WeakPolarHBondContact CA-O 3.38Å; T58-K64 HydrophobicContact CG2-CG 4.34Å; T58-K64 PolarHBondContact OG1-NZ 2.85Å; T58-K64 VanDerWaalsContact OG1-NZ 3.16Å |
| 59 | R | 87.1 | Confident | 92.6 | Very high | 147 Ų | 147 | 62 Ų | 62 | 56% | 0.555 | 31% | 0.313 | S | S | * | . | trans | -78.3 | 170.6 | 175.6 | -70.3 | -174.4 | -179.6 | -159.2 | 0.6 | 111 | D61 S62 T63 Y65 | R59-D61 WeakPolarHBondContact CB-OD1 3.29Å; R59-D61 PolarHBondContact O-N 3.11Å; R59-S62 PolarHBondContact O-N 3.45Å; R59-T63 WeakPolarHBondContact CD-OG1 3.24Å; R59-T63 PolarHBondContact N-O 3.01Å; R59-Y65 HydrophobicContact CG-CD1 3.71Å; R59-Y65 HydrophobicContact CG-CE1 3.54Å | ||
| 60 | E | 88.1 | Confident | 92.7 | Very high | 205 Ų | 205 | 59.7 Ų | 59.7 | 96% | 0.958 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -29.9 | 177.7 | -62.2 | -175.5 | 165.3 | 0 | 0 | 113 | S62 | E60-S62 PolarHBondContact O-N 3.19Š|
| 61 | D | 84.6 | Confident | 92.7 | Very high | 102 Ų | 102 | 60 Ų | 60 | 55% | 0.545 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 11.4 | 175.5 | 65.3 | 1.7 | 0 | 0 | 0 | 113.6 | R59 T63 | R59-D61 WeakPolarHBondContact CB-OD1 3.29Å; R59-D61 PolarHBondContact O-N 3.11Å; D61-T63 VanDerWaalsContact CG-CG2 3.49Å; D61-T63 PolarHBondContact O-N 2.7Å; D61-T63 VanDerWaalsContact OD1-CB 3.24Å; D61-T63 WeakPolarHBondContact OD1-CB 3.21Å; D61-T63 VanDerWaalsContact OD1-CG2 3.31Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.09Å; D61-T63 PolarHBondContact OD1-N 3.24Å; D61-T63 PolarHBondContact OD1-OG1 2.97Å; D61-T63 WeakPolarHBondContact OD2-CG2 3.39Å; D61-T63 PolarHBondContact OD2-OG1 2.76Å |
| 62 | S | 82.9 | Confident | 92.7 | Very high | 94 Ų | 94 | 65 Ų | 65 | 66% | 0.657 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 64.2 | 7.2 | -174.8 | -52.8 | 0 | 0 | 0 | 0 | 115.3 | R59 E60 | R59-S62 PolarHBondContact O-N 3.45Å; E60-S62 PolarHBondContact O-N 3.19Å |
| 63 | T | 84.3 | Confident | 92.7 | Very high | 65 Ų | 65 | 67.5 Ų | 67.5 | 40% | 0.399 | 34% | 0.343 | S | S | . | . | trans | -72.8 | 139.8 | 173 | 64.7 | 0 | 0 | 0 | 0 | 110.6 | T58 R59 D61 | T58-T63 WeakPolarHBondContact CA-O 3.38Å; R59-T63 WeakPolarHBondContact CD-OG1 3.24Å; R59-T63 PolarHBondContact N-O 3.01Å; D61-T63 VanDerWaalsContact CG-CG2 3.49Å; D61-T63 PolarHBondContact O-N 2.7Å; D61-T63 VanDerWaalsContact OD1-CB 3.24Å; D61-T63 WeakPolarHBondContact OD1-CB 3.21Å; D61-T63 VanDerWaalsContact OD1-CG2 3.31Å; D61-T63 WeakPolarHBondContact OD1-CG2 3.09Å; D61-T63 PolarHBondContact OD1-N 3.24Å; D61-T63 PolarHBondContact OD1-OG1 2.97Å; D61-T63 WeakPolarHBondContact OD2-CG2 3.39Å; D61-T63 PolarHBondContact OD2-OG1 2.76Å | ||
| 64 | K | 88 | Confident | 92.7 | Very high | 52 Ų | 52 | 66.2 Ų | 66.2 | 23% | 0.226 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 133 | 179.7 | -65.2 | 177.1 | -174.1 | -73.7 | 0 | 110.3 | L41 Q42 Y44 V56 Q57 T58 | L41-K64 HydrophobicContact CD2-CB 4.31Å; Q42-K64 WeakPolarHBondContact O-CD 3.47Å; Q42-K64 WeakPolarHBondContact O-CE 3.18Å; Y44-K64 HydrophobicContact CE2-CB 4.14Å; Y44-K64 WeakPolarHBondContact CE2-O 3.42Å; Y44-K64 PolarHBondContact OH-O 2.96Å; Y44-K64 VanDerWaalsContact OH-O 3.09Å; V56-K64 HydrophobicContact CG1-CB 4.38Å; Q57-K64 WeakPolarHBondContact O-CA 3.42Å; T58-K64 HydrophobicContact CG2-CG 4.34Å; T58-K64 PolarHBondContact OG1-NZ 2.85Å; T58-K64 VanDerWaalsContact OG1-NZ 3.16Å |
| 65 | Y | 90.1 | Very high | 92.8 | Very high | 52 Ų | 52 | 67.3 Ų | 67.3 | 20% | 0.204 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 156.9 | 172.8 | 69.3 | -82.8 | 0 | 0 | 0 | 109.9 | V56 Q57 R59 E67 | V56-Y65 WeakPolarHBondContact CA-O 3.4Å; Q57-Y65 HydrophobicContact CB-CD1 4.19Å; Q57-Y65 HydrophobicContact CB-CE1 3.58Å; Q57-Y65 HydrophobicContact CB-CE2 3.96Å; Q57-Y65 VanDerWaalsContact CB-CZ 3.46Å; Q57-Y65 HydrophobicContact CG-CE2 4.36Å; Q57-Y65 PolarHBondContact N-O 2.78Å; Q57-Y65 PolarHBondContact NE2-OH 2.67Å; Q57-Y65 PolarHBondContact O-N 2.88Å; R59-Y65 HydrophobicContact CG-CD1 3.71Å; R59-Y65 HydrophobicContact CG-CE1 3.54Å; Y65-E67 HydrophobicContact CD2-CG 4.25Å; Y65-E67 HydrophobicContact CE2-CG 4.04Å |
| 66 | A | 93 | Very high | 92.8 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 147.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | L28 Y44 L54 R55 | L28-A66 HydrophobicContact CB-CB 4.47Å; L28-A66 WeakPolarHBondContact CB-O 3.21Å; L28-A66 HydrophobicContact CD1-CB 4.12Å; L28-A66 PolarHBondContact N-O 2.74Å; Y44-A66 HydrophobicContact CD2-CB 3.93Å; Y44-A66 HydrophobicContact CE2-CB 4.39Å; Y44-A66 HydrophobicContact CG-CB 4.03Å; L54-A66 HydrophobicContact CD1-CB 3.86Å; L54-A66 HydrophobicContact CG-CB 4.33Å; R55-A66 CarbonylContact O-C 3.49Å; R55-A66 WeakPolarHBondContact O-CA 3.18Å |
| 67 | E | 95.8 | Very high | 93 | Very high | 29 Ų | 29 | 64.2 Ų | 64.2 | 14% | 0.136 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 135 | 171.2 | -62.1 | 171.4 | 156 | 0 | 0 | 107.9 | F26 R55 Q57 Y65 | F26-E67 CarbonylContact O-C 3.37Å; F26-E67 VanDerWaalsContact O-CA 3.26Å; F26-E67 WeakPolarHBondContact O-CA 3.33Å; R55-E67 PolarHBondContact N-O 3.45Å; R55-E67 PolarHBondContact O-N 3.33Å; Q57-E67 PolarHBondContact NE2-OE1 2.84Å; Q57-E67 PolarHBondContact NE2-OE2 3.36Å; Y65-E67 HydrophobicContact CD2-CG 4.25Å; Y65-E67 HydrophobicContact CE2-CG 4.04Å |
| 68 | L | 97.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 135.2 | 162.3 | -66.6 | 176.2 | 0 | 0 | 0 | 108.3 | L14 R25 F26 L28 L46 F52 L54 I104 | L14-L68 HydrophobicContact CD1-CD1 3.9Å; R25-L68 CarbonylContact C-O 3.52Å; R25-L68 VanDerWaalsContact CA-O 3.24Å; R25-L68 WeakPolarHBondContact CA-O 3.39Å; F26-L68 HydrophobicContact CB-CB 4.3Å; F26-L68 HydrophobicContact CD2-CB 4.49Å; F26-L68 PolarHBondContact N-O 2.83Å; F26-L68 PolarHBondContact O-N 3.34Å; L28-L68 HydrophobicContact CD1-CD2 3.96Å; L28-L68 HydrophobicContact CD1-CG 3.76Å; L28-L68 HydrophobicContact CD2-CD1 3.88Å; L28-L68 HydrophobicContact CD2-CG 3.83Å; L28-L68 HydrophobicContact CG-CG 4.02Å; L46-L68 HydrophobicContact CD1-CD2 3.89Å; L46-L68 HydrophobicContact CD2-CD2 3.58Å; L46-L68 HydrophobicContact CG-CD2 4.38Å; F52-L68 HydrophobicContact CB-CD2 4.28Å; F52-L68 HydrophobicContact CD1-CB 3.89Å; F52-L68 HydrophobicContact CD1-CD1 4.39Å; F52-L68 HydrophobicContact CE1-CB 4.47Å; L54-L68 HydrophobicContact CD1-CD2 4.07Å; L68-I104 HydrophobicContact CD1-CD1 4.33Å |
| 69 | V | 97.9 | Very high | 93.6 | Very high | 14 Ų | 14 | 69.2 Ų | 69.2 | 9% | 0.085 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 121.8 | 172.2 | -173.8 | 0 | 0 | 0 | 0 | 107.3 | T24 R25 F52 A53 R55 E71 | T24-V69 WeakPolarHBondContact O-CA 3.43Å; R25-V69 HydrophobicContact CG-CG2 4.17Å; F52-V69 WeakPolarHBondContact CA-O 3.23Å; A53-V69 PolarHBondContact N-O 3.49Å; A53-V69 PolarHBondContact O-N 2.82Å; R55-V69 HydrophobicContact CB-CG2 3.82Å; V69-E71 PolarHBondContact O-N 2.88Å |
| 70 | L | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 113.4 | 175 | -174.8 | 68.5 | 0 | 0 | 0 | 108.9 | V20 P22 G23 T24 F26 F52 R72 L74 | V20-L70 HydrophobicContact CB-CD2 4.31Å; V20-L70 HydrophobicContact CG1-CD2 3.98Å; V20-L70 WeakPolarHBondContact O-CD2 3.32Å; P22-L70 CarbonylContact C-O 3.57Å; P22-L70 WeakPolarHBondContact CA-O 3.39Å; G23-L70 PolarHBondContact N-O 2.92Å; T24-L70 PolarHBondContact O-N 2.78Å; F26-L70 HydrophobicContact CE2-CB 4.25Å; F52-L70 HydrophobicContact CD1-CB 4.34Å; F52-L70 HydrophobicContact CD1-CD1 4.07Å; F52-L70 HydrophobicContact CE1-CB 4.04Å; F52-L70 HydrophobicContact CE1-CD1 3.57Å; F52-L70 HydrophobicContact CE1-CG 4.42Å; F52-L70 HydrophobicContact CE2-CD1 4.14Å; F52-L70 HydrophobicContact CZ-CD1 3.6Å; L70-R72 WeakPolarHBondContact CD1-O 3.17Å; L70-R72 VanDerWaalsContact CG-O 3.27Å; L70-R72 WeakPolarHBondContact CG-O 3.32Å; L70-L74 HydrophobicContact CD1-CD1 4.27Å; L70-L74 HydrophobicContact CD1-CD2 3.86Å; L70-L74 HydrophobicContact CD1-CG 3.81Å; L70-L74 HydrophobicContact CD2-CG 4.42Å |
| 71 | E | 97.7 | Very high | 94.5 | Very high | 114 Ų | 114 | 59.3 Ų | 59.3 | 53% | 0.533 | 31% | 0.307 | S | S | . | . | trans | -95.9 | -26.3 | -178.7 | -70 | -67.3 | 153.7 | 0 | 0 | 112.3 | Y51 A53 V69 | Y51-E71 PolarHBondContact O-N 2.91Å; A53-E71 HydrophobicContact CB-CG 3.67Å; V69-E71 PolarHBondContact O-N 2.88Å | ||
| 72 | R | 97.4 | Very high | 95.1 | Very high | 121 Ų | 121 | 55 Ų | 55 | 46% | 0.457 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -129.6 | 146.1 | 178.4 | -61.9 | 179.5 | 76.4 | -168.7 | -4.3 | 109.8 | E50 Y51 L70 | E50-R72 WeakPolarHBondContact O-CD 3.35Å; E50-R72 IonicContact OE2-CZ 2.7Å; E50-R72 IonicContact OE2-NH1 2.87Å; E50-R72 PolarHBondContact OE2-NH1 3.36Å; Y51-R72 HydrophobicContact CD1-CB 4.31Å; Y51-R72 PolarHBondContact O-N 2.97Å; L70-R72 WeakPolarHBondContact CD1-O 3.17Å; L70-R72 VanDerWaalsContact CG-O 3.27Å; L70-R72 WeakPolarHBondContact CG-O 3.32Å |
| 73 | A | 97.6 | Very high | 95.7 | Very high | 61 Ų | 61 | 57.5 Ų | 57.5 | 50% | 0.504 | 29% | 0.286 | S | S | . | . | trans | -57.1 | 142 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | P22 | P22-A73 HydrophobicContact CG-CB 4.4Š| ||
| 74 | L | 98.1 | Very high | 96.3 | Very high | 10 Ų | 10 | 54.7 Ų | 54.7 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | trans | -84.3 | 159.3 | 168.9 | -57.9 | 175.2 | 0 | 0 | 0 | 108.5 | I16 E18 Y51 F52 L70 L82 V106 | I16-L74 HydrophobicContact CB-CD1 4.21Å; I16-L74 HydrophobicContact CG2-CD1 3.68Å; E18-L74 HydrophobicContact CB-CB 4.2Å; Y51-L74 HydrophobicContact CD1-CD2 3.77Å; Y51-L74 HydrophobicContact CE1-CD2 4.42Å; Y51-L74 HydrophobicContact CG-CD2 3.87Å; F52-L74 HydrophobicContact CE2-CD2 4.13Å; F52-L74 HydrophobicContact CZ-CD1 4.29Å; F52-L74 HydrophobicContact CZ-CD2 4.36Å; L70-L74 HydrophobicContact CD1-CD1 4.27Å; L70-L74 HydrophobicContact CD1-CD2 3.86Å; L70-L74 HydrophobicContact CD1-CG 3.81Å; L70-L74 HydrophobicContact CD2-CG 4.42Å; L74-L82 HydrophobicContact CD2-CD1 3.86Å; L74-V106 HydrophobicContact CB-CG1 4.15Å; L74-V106 HydrophobicContact CD1-CG1 4.41Å; L74-V106 HydrophobicContact CD1-CG2 4.41Å | ||
| 75 | D | 97.9 | Very high | 96.7 | Very high | 65 Ų | 65 | 55 Ų | 55 | 35% | 0.348 | 27% | 0.274 | S | S | . | . | trans | -151.6 | 108.5 | 179.5 | 168.8 | -13.7 | 0 | 0 | 0 | 105.3 | E18 E77 R78 E79 | E18-D75 WeakPolarHBondContact OE2-CA 3.41Å; D75-E77 PolarHBondContact OD1-N 2.9Å; D75-R78 HydrophobicContact CB-CB 4.04Å; D75-R78 VanDerWaalsContact CG-CB 3.41Å; D75-R78 PolarHBondContact O-N 2.98Å; D75-R78 WeakPolarHBondContact OD1-CB 3.33Å; D75-R78 PolarHBondContact OD1-N 3.15Å; D75-R78 WeakPolarHBondContact OD2-CB 3.47Å; D75-E79 PolarHBondContact O-N 2.76Å | ||
| 76 | R | 97.9 | Very high | 96.9 | Very high | 37 Ų | 37 | 52.5 Ų | 52.5 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -39.2 | -173.3 | -172.4 | -143.8 | 66.4 | 99.5 | 5.5 | 110.3 | E18 R78 E79 P80 V106 D108 L143 E145 | E18-R76 WeakPolarHBondContact OE1-CB 3.4Å; E18-R76 VanDerWaalsContact OE2-CB 3.29Å; E18-R76 WeakPolarHBondContact OE2-CB 3.47Å; E18-R76 PolarHBondContact OE2-N 2.87Å; R76-R78 PolarHBondContact O-N 2.84Å; R76-E79 CarbonylContact O-C 3.58Å; R76-E79 PolarHBondContact O-N 2.97Å; R76-P80 HydrophobicContact CG-CB 4.25Å; R76-V106 HydrophobicContact CB-CB 4.28Å; R76-V106 HydrophobicContact CB-CG1 3.78Å; R76-V106 HydrophobicContact CG-CB 4.22Å; R76-V106 HydrophobicContact CG-CG1 4.22Å; R76-D108 IonicContact CZ-OD1 2.92Å; R76-D108 IonicContact NE-OD1 3.85Å; R76-D108 PolarHBondContact NE-OD1 3.07Å; R76-D108 VanDerWaalsContact NE-OD1 3.1Å; R76-L143 PolarHBondContact NH2-O 2.83Å; R76-E145 IonicContact CZ-OE2 3.02Å; R76-E145 IonicContact NH1-OE2 2.85Å; R76-E145 PolarHBondContact NH1-OE2 3.04Å |
| 77 | E | 97.9 | Very high | 96.9 | Very high | 52 Ų | 52 | 53.9 Ų | 53.9 | 24% | 0.243 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -32.3 | 176 | -72.7 | 58.6 | -118 | 0 | 0 | 110.9 | D75 L143 | D75-E77 PolarHBondContact OD1-N 2.9Å; E77-L143 HydrophobicContact CG-CB 3.66Å |
| 78 | R | 96.8 | Very high | 96.8 | Very high | 160 Ų | 160 | 52.8 Ų | 52.8 | 60% | 0.604 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -48.2 | 175.2 | -177.1 | 175.7 | 173.2 | -163.9 | -9.5 | 113.7 | D75 R76 | D75-R78 HydrophobicContact CB-CB 4.04Å; D75-R78 VanDerWaalsContact CG-CB 3.41Å; D75-R78 PolarHBondContact O-N 2.98Å; D75-R78 WeakPolarHBondContact OD1-CB 3.33Å; D75-R78 PolarHBondContact OD1-N 3.15Å; D75-R78 WeakPolarHBondContact OD2-CB 3.47Å; R76-R78 PolarHBondContact O-N 2.84Å |
| 79 | E | 97.1 | Very high | 96.5 | Very high | 72 Ų | 72 | 54.8 Ų | 54.8 | 34% | 0.336 | 28% | 0.279 | S | S | . | . | trans | -145.4 | 92.8 | -174.8 | -168.3 | 165.8 | -166.6 | 0 | 0 | 111.3 | Y51 D75 R76 S81 L82 V106 | Y51-E79 WeakPolarHBondContact CE2-OE2 3.44Å; Y51-E79 VanDerWaalsContact CZ-OE2 3.3Å; Y51-E79 PolarHBondContact OH-OE2 2.83Å; D75-E79 PolarHBondContact O-N 2.76Å; R76-E79 CarbonylContact O-C 3.58Å; R76-E79 PolarHBondContact O-N 2.97Å; E79-S81 VanDerWaalsContact C-N 3.26Å; E79-S81 PolarHBondContact O-N 3.28Å; E79-L82 HydrophobicContact CG-CD2 3.82Å; E79-L82 VanDerWaalsContact OE1-CD2 3.3Å; E79-L82 WeakPolarHBondContact OE1-CD2 3.29Å; E79-V106 WeakPolarHBondContact O-CG2 3.48Å | ||
| 80 | P | 97.3 | Very high | 96.1 | Very high | 72 Ų | 72 | 55 Ų | 55 | 47% | 0.468 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -75.1 | -12.8 | -170.2 | 28.8 | -36.5 | 0 | 0 | 0 | 114 | R76 V106 | R76-P80 HydrophobicContact CG-CB 4.25Å; P80-V106 PolarHBondContact O-N 3.31Å |
| 81 | S | 97.3 | Very high | 95.5 | Very high | 73 Ų | 73 | 56.7 Ų | 56.7 | 51% | 0.51 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 142.8 | 179.3 | 65.7 | 0 | 0 | 0 | 0 | 112.3 | E79 I104 | E79-S81 VanDerWaalsContact C-N 3.26Å; E79-S81 PolarHBondContact O-N 3.28Å; S81-I104 CarbonylContact C-O 3.58Å; S81-I104 VanDerWaalsContact CA-O 3.22Å; S81-I104 WeakPolarHBondContact CA-O 2.92Å |
| 82 | L | 96.9 | Very high | 94.9 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 144.6 | 177.1 | -56.3 | 163.1 | 0 | 0 | 0 | 110.4 | Y51 F52 L74 E79 I104 | Y51-L82 HydrophobicContact CD2-CD1 3.88Å; Y51-L82 HydrophobicContact CD2-CD2 3.69Å; Y51-L82 HydrophobicContact CD2-CG 4.47Å; Y51-L82 HydrophobicContact CE2-CD1 4.4Å; Y51-L82 HydrophobicContact CE2-CD2 3.53Å; Y51-L82 HydrophobicContact CG-CD1 4.34Å; F52-L82 HydrophobicContact CD2-CD1 4.33Å; F52-L82 HydrophobicContact CE2-CD1 3.71Å; L74-L82 HydrophobicContact CD2-CD1 3.86Å; E79-L82 HydrophobicContact CG-CD2 3.82Å; E79-L82 VanDerWaalsContact OE1-CD2 3.3Å; E79-L82 WeakPolarHBondContact OE1-CD2 3.29Å; L82-I104 HydrophobicContact CB-CB 4.14Å; L82-I104 PolarHBondContact N-O 3.35Å; L82-I104 PolarHBondContact O-N 2.66Å |
| 83 | Q | 96.5 | Very high | 94.3 | Very high | 147 Ų | 147 | 52.9 Ų | 52.9 | 69% | 0.687 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 117.2 | 172.7 | -71.1 | -176.8 | -14.2 | 0 | 0 | 109.6 | I102 H103 | Q83-I102 WeakPolarHBondContact CA-O 3.3Å; Q83-H103 PolarHBondContact NE2-CD2 3.02Å; Q83-H103 PolarHBondContact NE2-NE2 2.85Å |
| 84 | L | 96.4 | Very high | 93.7 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 163.2 | 176.5 | -50.5 | 177.7 | 0 | 0 | 0 | 109.8 | L46 S47 N49 F52 I102 I104 | L46-L84 HydrophobicContact CD1-CB 4.05Å; L46-L84 HydrophobicContact CD1-CD1 4.24Å; L46-L84 HydrophobicContact CD2-CD1 4.45Å; S47-L84 WeakPolarHBondContact OG-CA 3.35Å; N49-L84 HydrophobicContact CB-CD2 3.45Å; N49-L84 VanDerWaalsContact CB-CD2 3.45Å; F52-L84 HydrophobicContact CB-CD1 4.27Å; F52-L84 HydrophobicContact CD2-CD1 3.97Å; F52-L84 HydrophobicContact CG-CD1 4.35Å; L84-I102 HydrophobicContact CB-CB 4.26Å; L84-I102 PolarHBondContact N-O 2.84Å; L84-I102 PolarHBondContact O-N 2.87Å; L84-I104 HydrophobicContact CD1-CD1 3.72Å; L84-I104 HydrophobicContact CG-CD1 4.37Å |
| 85 | V | 95.5 | Very high | 93.2 | Very high | 58 Ų | 58 | 58 Ų | 58 | 35% | 0.352 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 121.6 | 172.7 | -176.9 | 0 | 0 | 0 | 0 | 108.8 | S47 | S47-V85 PolarHBondContact N-O 2.91Å; S47-V85 PolarHBondContact OG-N 2.79Å |
| 86 | L | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.5 | 171.3 | -177.2 | 70.1 | 0 | 0 | 0 | 108.8 | W6 L28 Y44 L54 S99 L100 I102 | W6-L86 HydrophobicContact CH2-CD2 3.65Å; W6-L86 HydrophobicContact CH2-CG 3.96Å; W6-L86 HydrophobicContact CZ2-CD2 3.86Å; L28-L86 HydrophobicContact CB-CD2 4.38Å; L28-L86 HydrophobicContact CD1-CD1 3.99Å; L28-L86 HydrophobicContact CD1-CD2 3.86Å; Y44-L86 HydrophobicContact CD1-CD1 4.3Å; Y44-L86 HydrophobicContact CD1-CD2 4.27Å; Y44-L86 HydrophobicContact CD1-CG 4.27Å; L54-L86 HydrophobicContact CD1-CD1 3.8Å; L54-L86 HydrophobicContact CD2-CD1 3.92Å; L86-S99 CarbonylContact O-C 3.52Å; L86-S99 VanDerWaalsContact O-CA 3.32Å; L86-S99 WeakPolarHBondContact O-CA 3.38Å; L86-L100 PolarHBondContact N-O 2.9Å; L86-L100 PolarHBondContact O-N 3.34Å; L86-I102 HydrophobicContact CB-CD1 3.84Å; L86-I102 HydrophobicContact CB-CG1 4.41Å |
| 87 | T | 93.4 | Very high | 92.4 | Very high | 29 Ų | 29 | 62.2 Ų | 62.2 | 18% | 0.178 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.6 | 178.6 | -57.7 | 0 | 0 | 0 | 0 | 109.8 | Y44 E45 L89 A98 S99 | Y44-T87 CarbonylContact C-O 3.55Å; Y44-T87 VanDerWaalsContact CA-O 3.25Å; Y44-T87 WeakPolarHBondContact CA-O 3.4Å; E45-T87 PolarHBondContact N-O 3.24Å; E45-T87 PolarHBondContact O-N 2.83Å; T87-L89 HydrophobicContact CG2-CG 4.36Å; T87-A98 CarbonylContact C-O 3.21Å; T87-A98 WeakPolarHBondContact CA-O 3.49Å; T87-S99 PolarHBondContact OG1-OG 3.36Å; T87-S99 VanDerWaalsContact OG1-OG 3.06Å |
| 88 | A | 92.6 | Very high | 92 | Very high | 6 Ų | 6 | 61.3 Ų | 61.3 | 5% | 0.05 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 136.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | W6 A31 L41 Y44 S97 A98 | W6-A88 HydrophobicContact CH2-CB 4Å; W6-A88 HydrophobicContact CZ3-CB 3.8Å; A31-A88 HydrophobicContact CB-CB 3.67Å; L41-A88 HydrophobicContact CD1-CB 3.74Å; Y44-A88 HydrophobicContact CD1-CB 3.99Å; Y44-A88 HydrophobicContact CE1-CB 4.02Å; A88-S97 CarbonylContact O-C 3.53Å; A88-S97 WeakPolarHBondContact O-CA 3.27Å; A88-S97 WeakPolarHBondContact O-CB 3.47Å; A88-A98 PolarHBondContact N-O 2.79Å; A88-A98 PolarHBondContact O-N 3.14Å |
| 89 | L | 90.9 | Very high | 91.7 | Very high | 42 Ų | 42 | 57.2 Ų | 57.2 | 22% | 0.22 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 132.3 | -176.2 | -70.1 | 142.9 | 0 | 0 | 0 | 110.3 | Q42 T43 E45 T87 | Q42-L89 PolarHBondContact N-O 3.17Å; T43-L89 HydrophobicContact CG2-CB 4.09Å; T43-L89 HydrophobicContact CG2-CD1 3.99Å; T43-L89 PolarHBondContact N-O 3.36Å; T43-L89 PolarHBondContact O-N 3.36Å; E45-L89 HydrophobicContact CB-CD1 4.31Å; E45-L89 VanDerWaalsContact CD-CD1 3.41Å; E45-L89 HydrophobicContact CG-CD1 3.66Å; T87-L89 HydrophobicContact CG2-CG 4.36Å |
| 90 | D | 89.5 | Confident | 91.4 | Very high | 19 Ų | 19 | 54 Ų | 54 | 10% | 0.102 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 176.9 | 167.1 | 77 | 20.8 | 0 | 0 | 0 | 111.4 | G92 A95 L96 | D90-G92 PolarHBondContact OD1-N 3.34Å; D90-A95 VanDerWaalsContact OD1-CA 3.25Å; D90-A95 WeakPolarHBondContact OD1-CA 3.36Å; D90-L96 VanDerWaalsContact CG-N 3.27Å; D90-L96 PolarHBondContact N-O 2.69Å; D90-L96 VanDerWaalsContact N-O 3.07Å; D90-L96 PolarHBondContact OD1-N 3.1Å; D90-L96 WeakPolarHBondContact OD2-CB 3.24Å; D90-L96 PolarHBondContact OD2-N 2.75Å |
| 91 | G | 86.6 | Confident | 91.3 | Very high | 35 Ų | 35 | 53.1 Ų | 53.1 | 36% | 0.361 | 34% | 0.339 | S | S | . | . | trans | -111.2 | 20.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S38 Q42 | S38-G91 CarbonylContact O-C 3.09Å; S38-G91 WeakPolarHBondContact O-CA 3.44Å; S38-G91 PolarHBondContact O-N 3.44Å; Q42-G91 VanDerWaalsContact CG-N 3.26Å | ||
| 92 | G | 84.6 | Confident | 91.2 | Very high | 10 Ų | 10 | 49.7 Ų | 49.7 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | trans | -68.9 | 169.4 | 180 | 0 | 0 | 0 | 0 | 0 | 112.9 | D90 P94 A95 | D90-G92 PolarHBondContact OD1-N 3.34Å; G92-P94 VanDerWaalsContact C-C 3.48Å; G92-P94 CarbonylContact C-O 3.33Å; G92-P94 CarbonylContact O-C 3.56Å; G92-A95 WeakPolarHBondContact O-CA 3.38Å; G92-A95 PolarHBondContact O-N 3.33Å | ||
| 93 | T | 85.8 | Confident | 91.1 | Very high | 145 Ų | 145 | 51.9 Ų | 51.9 | 89% | 0.89 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -130.6 | 104.4 | 168 | -55.8 | 0 | 0 | 0 | 0 | 108.6 | ||
| 94 | P | 84.3 | Confident | 91.2 | Very high | 112 Ų | 112 | 45 Ų | 45 | 73% | 0.727 | 29% | 0.293 | S | S | * | . | S | Bend | cis | -69.1 | 150.8 | 3 | 31.7 | -36.1 | 0 | 0 | 0 | 112.7 | G92 | G92-P94 VanDerWaalsContact C-C 3.48Å; G92-P94 CarbonylContact C-O 3.33Å; G92-P94 CarbonylContact O-C 3.56Å |
| 95 | A | 87.4 | Confident | 91.2 | Very high | 67 Ų | 67 | 49.7 Ų | 49.7 | 55% | 0.554 | 31% | 0.313 | S | S | * | . | trans | -73.9 | 137.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | D90 G92 | D90-A95 VanDerWaalsContact OD1-CA 3.25Å; D90-A95 WeakPolarHBondContact OD1-CA 3.36Å; G92-A95 WeakPolarHBondContact O-CA 3.38Å; G92-A95 PolarHBondContact O-N 3.33Å | ||
| 96 | L | 89.1 | Confident | 91.4 | Very high | 111 Ų | 111 | 47.1 Ų | 47.1 | 58% | 0.581 | 30% | 0.298 | S | S | * | . | trans | -108.8 | 154.1 | 173.3 | -51 | 175.9 | 0 | 0 | 0 | 110.7 | D90 | D90-L96 VanDerWaalsContact CG-N 3.27Å; D90-L96 PolarHBondContact N-O 2.69Å; D90-L96 VanDerWaalsContact N-O 3.07Å; D90-L96 PolarHBondContact OD1-N 3.1Å; D90-L96 WeakPolarHBondContact OD2-CB 3.24Å; D90-L96 PolarHBondContact OD2-N 2.75Å | ||
| 97 | S | 90.2 | Very high | 91.5 | Very high | 79 Ų | 79 | 49.9 Ų | 49.9 | 55% | 0.552 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 150.6 | 179.7 | 63.5 | 0 | 0 | 0 | 0 | 111.8 | A88 | A88-S97 CarbonylContact O-C 3.53Å; A88-S97 WeakPolarHBondContact O-CA 3.27Å; A88-S97 WeakPolarHBondContact O-CB 3.47Å |
| 98 | A | 89.6 | Confident | 91.7 | Very high | 34 Ų | 34 | 50.1 Ų | 50.1 | 28% | 0.281 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 136.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | W6 T87 A88 | W6-A98 HydrophobicContact CE3-CB 3.94Å; W6-A98 HydrophobicContact CZ3-CB 4.41Å; T87-A98 CarbonylContact C-O 3.21Å; T87-A98 WeakPolarHBondContact CA-O 3.49Å; A88-A98 PolarHBondContact N-O 2.79Å; A88-A98 PolarHBondContact O-N 3.14Å |
| 99 | S | 90.9 | Very high | 91.9 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 52% | 0.517 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140 | 179 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | L86 T87 | L86-S99 CarbonylContact O-C 3.52Å; L86-S99 VanDerWaalsContact O-CA 3.32Å; L86-S99 WeakPolarHBondContact O-CA 3.38Å; T87-S99 PolarHBondContact OG1-OG 3.36Å; T87-S99 VanDerWaalsContact OG1-OG 3.06Å |
| 100 | L | 90.4 | Very high | 92.2 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 117.1 | -179.9 | 179.2 | 58.4 | 0 | 0 | 0 | 109.6 | A5 W6 L10 M12 L86 | A5-L100 WeakPolarHBondContact O-CD1 3.41Å; W6-L100 HydrophobicContact CD2-CB 4.43Å; W6-L100 HydrophobicContact CD2-CD2 4.32Å; W6-L100 HydrophobicContact CE3-CB 4.01Å; W6-L100 HydrophobicContact CH2-CB 4.11Å; W6-L100 HydrophobicContact CH2-CD2 4.46Å; W6-L100 HydrophobicContact CZ2-CB 4.5Å; W6-L100 HydrophobicContact CZ2-CD2 4.04Å; W6-L100 HydrophobicContact CZ3-CB 3.84Å; L10-L100 WeakPolarHBondContact O-CD1 3.29Å; M12-L100 HydrophobicContact CB-CD2 4.28Å; M12-L100 HydrophobicContact CB-CG 4.45Å; M12-L100 HydrophobicContact CE-CD2 3.93Å; L86-L100 PolarHBondContact N-O 2.9Å; L86-L100 PolarHBondContact O-N 3.34Å |
| 101 | P | 93.7 | Very high | 92.5 | Very high | 55 Ų | 55 | 53.5 Ų | 53.5 | 36% | 0.357 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 134.9 | 170.4 | -20.2 | 33 | 0 | 0 | 0 | 111.2 | M12 | M12-P101 PolarHBondContact N-O 2.98Å |
| 102 | I | 95.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 117.2 | 172.5 | -55.1 | 172.2 | 0 | 0 | 0 | 107.8 | M12 L14 L28 L46 Q83 L84 L86 I104 | M12-I102 HydrophobicContact CB-CG1 4.15Å; M12-I102 HydrophobicContact CB-CG2 4.48Å; M12-I102 HydrophobicContact CG-CG2 4.47Å; M12-I102 CarbonylContact O-C 3.5Å; M12-I102 WeakPolarHBondContact O-CA 3.07Å; M12-I102 HydrophobicContact SD-CD1 4.41Å; M12-I102 HydrophobicContact SD-CG1 4.22Å; M12-I102 HydrophobicContact SD-CG2 4.47Å; L14-I102 HydrophobicContact CD1-CG2 3.85Å; L14-I102 HydrophobicContact CG-CG2 4.19Å; L28-I102 HydrophobicContact CD1-CD1 4.37Å; L28-I102 HydrophobicContact CD2-CD1 4.12Å; L46-I102 HydrophobicContact CD1-CD1 4.48Å; Q83-I102 WeakPolarHBondContact CA-O 3.3Å; L84-I102 HydrophobicContact CB-CB 4.26Å; L84-I102 PolarHBondContact N-O 2.84Å; L84-I102 PolarHBondContact O-N 2.87Å; L86-I102 HydrophobicContact CB-CD1 3.84Å; L86-I102 HydrophobicContact CB-CG1 4.41Å; I102-I104 HydrophobicContact CG2-CD1 4.44Å; I102-I104 HydrophobicContact CG2-CG1 3.88Å |
| 103 | H | 96 | Very high | 93.5 | Very high | 56 Ų | 56 | 55 Ų | 55 | 26% | 0.259 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 114.2 | 171.1 | -73.4 | 96.3 | 0 | 0 | 0 | 109.2 | E11 M12 K13 L14 Q83 | E11-H103 IonicContact OE2-CE1 3.91Å; E11-H103 PolarHBondContact OE2-CE1 3.23Å; E11-H103 IonicContact OE2-CG 3.67Å; E11-H103 IonicContact OE2-ND1 3.02Å; E11-H103 PolarHBondContact OE2-ND1 2.98Å; M12-H103 PolarHBondContact O-N 2.8Å; K13-H103 WeakPolarHBondContact CA-O 3.15Å; K13-H103 HydrophobicContact CG-CB 4.45Å; L14-H103 PolarHBondContact N-O 3.42Å; Q83-H103 PolarHBondContact NE2-CD2 3.02Å; Q83-H103 PolarHBondContact NE2-NE2 2.85Å |
| 104 | I | 97.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 118.3 | 175.9 | -51.4 | 179.6 | 0 | 0 | 0 | 107.5 | L14 I16 F52 L68 S81 L82 L84 I102 | L14-I104 HydrophobicContact CB-CG1 4.3Å; L14-I104 HydrophobicContact CD1-CG1 4.41Å; L14-I104 CarbonylContact O-C 3.51Å; L14-I104 WeakPolarHBondContact O-CA 3.05Å; I16-I104 HydrophobicContact CB-CG2 4.19Å; I16-I104 HydrophobicContact CD1-CD1 4.46Å; I16-I104 HydrophobicContact CD1-CG2 3.8Å; I16-I104 HydrophobicContact CG1-CG2 4.01Å; F52-I104 HydrophobicContact CD2-CD1 3.96Å; F52-I104 HydrophobicContact CE2-CD1 3.48Å; F52-I104 VanDerWaalsContact CE2-CD1 3.48Å; F52-I104 HydrophobicContact CZ-CD1 3.87Å; L68-I104 HydrophobicContact CD1-CD1 4.33Å; S81-I104 CarbonylContact C-O 3.58Å; S81-I104 VanDerWaalsContact CA-O 3.22Å; S81-I104 WeakPolarHBondContact CA-O 2.92Å; L82-I104 HydrophobicContact CB-CB 4.14Å; L82-I104 PolarHBondContact N-O 3.35Å; L82-I104 PolarHBondContact O-N 2.66Å; L84-I104 HydrophobicContact CD1-CD1 3.72Å; L84-I104 HydrophobicContact CG-CD1 4.37Å; I102-I104 HydrophobicContact CG2-CD1 4.44Å; I102-I104 HydrophobicContact CG2-CG1 3.88Å |
| 105 | K | 98.1 | Very high | 94.8 | Very high | 106 Ų | 106 | 47.2 Ų | 47.2 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 122.9 | 166.1 | -176.1 | -177.6 | 178 | -170.2 | 0 | 108 | L14 E15 I16 L107 | L14-K105 PolarHBondContact O-N 2.89Å; E15-K105 WeakPolarHBondContact CA-O 3.38Å; E15-K105 HydrophobicContact CG-CB 4.35Å; I16-K105 PolarHBondContact N-O 3.24Å; K105-L107 HydrophobicContact CD-CD2 4.29Å; K105-L107 HydrophobicContact CG-CD2 4.48Å |
| 106 | V | 98.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 124.8 | 173.3 | -171.3 | 0 | 0 | 0 | 0 | 107.6 | I16 E18 L74 R76 E79 P80 | I16-V106 CarbonylContact O-C 3.58Å; I16-V106 VanDerWaalsContact O-CA 3.29Å; I16-V106 WeakPolarHBondContact O-CA 3.4Å; E18-V106 HydrophobicContact CB-CG1 3.82Å; L74-V106 HydrophobicContact CB-CG1 4.15Å; L74-V106 HydrophobicContact CD1-CG1 4.41Å; L74-V106 HydrophobicContact CD1-CG2 4.41Å; R76-V106 HydrophobicContact CB-CB 4.28Å; R76-V106 HydrophobicContact CB-CG1 3.78Å; R76-V106 HydrophobicContact CG-CB 4.22Å; R76-V106 HydrophobicContact CG-CG1 4.22Å; E79-V106 WeakPolarHBondContact O-CG2 3.48Å; P80-V106 PolarHBondContact O-N 3.31Å |
| 107 | L | 97.9 | Very high | 95.8 | Very high | 57 Ų | 57 | 44.1 Ų | 44.1 | 30% | 0.298 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 135.6 | 177.1 | -57.1 | 177.9 | 0 | 0 | 0 | 109.8 | E15 I16 S17 E18 K105 | E15-L107 HydrophobicContact CB-CD1 3.91Å; E15-L107 HydrophobicContact CB-CD2 4.08Å; E15-L107 HydrophobicContact CB-CG 4.01Å; I16-L107 PolarHBondContact O-N 2.91Å; S17-L107 WeakPolarHBondContact CA-O 3.44Å; E18-L107 PolarHBondContact N-O 3.42Å; K105-L107 HydrophobicContact CD-CD2 4.29Å; K105-L107 HydrophobicContact CG-CD2 4.48Å |
| 108 | D | 97.6 | Very high | 96.1 | Very high | 35 Ų | 35 | 44.9 Ų | 44.9 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -57.1 | 135.4 | 177.2 | -168.8 | 81.1 | 0 | 0 | 0 | 112.7 | E18 R76 E145 N148 | E18-D108 VanDerWaalsContact OE1-CA 3.26Å; E18-D108 WeakPolarHBondContact OE1-CA 3.21Å; R76-D108 IonicContact CZ-OD1 2.92Å; R76-D108 IonicContact NE-OD1 3.85Å; R76-D108 PolarHBondContact NE-OD1 3.07Å; R76-D108 VanDerWaalsContact NE-OD1 3.1Å; D108-E145 HydrophobicContact CB-CB 3.98Å; D108-E145 VanDerWaalsContact CG-N 3.3Å; D108-E145 WeakPolarHBondContact OD1-CB 3.27Å; D108-E145 PolarHBondContact OD1-N 2.92Å; D108-E145 PolarHBondContact OD2-N 3.16Å; D108-N148 WeakPolarHBondContact OD2-CB 3.44Å; D108-N148 PolarHBondContact OD2-ND2 3.24Å |
| 109 | A | 96.7 | Very high | 96.5 | Very high | 15 Ų | 15 | 48 Ų | 48 | 12% | 0.124 | 27% | 0.273 | C | S | . | . | trans | -115.8 | 154 | 163.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | E18 A19 D111 | E18-A109 HydrophobicContact CG-CB 3.65Å; E18-A109 PolarHBondContact OE1-N 2.83Å; A19-A109 HydrophobicContact CB-CB 3.79Å; A109-D111 VanDerWaalsContact C-N 3.27Å; A109-D111 PolarHBondContact O-N 2.76Å | ||
| 110 | N | 97 | Very high | 96.8 | Very high | 32 Ų | 32 | 47.7 Ų | 47.7 | 17% | 0.171 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -81.8 | 74.3 | 176.5 | -162.7 | 94.6 | 0 | 0 | 0 | 110.2 | D144 N148 D198 | N110-D144 WeakPolarHBondContact CA-OD2 3.11Å; N110-N148 HydrophobicContact CB-CB 4.12Å; N110-N148 PolarHBondContact N-ND2 3.34Å; N110-N148 WeakPolarHBondContact OD1-CA 2.96Å; N110-N148 WeakPolarHBondContact OD1-CB 3.28Å; N110-N148 VanDerWaalsContact OD1-CG 3.3Å; N110-N148 PolarHBondContact OD1-O 3.31Å; N110-N148 PolarHBondContact OD1-OD1 3.36Å; N110-D198 PolarHBondContact ND2-OD2 3.49Å; N110-D198 VanDerWaalsContact ND2-OD2 3.14Å |
| 111 | D | 95.4 | Very high | 97.2 | Very high | 90 Ų | 90 | 47.9 Ų | 47.9 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | trans | -118.3 | 4 | -176.1 | 75.3 | -19.1 | 0 | 0 | 0 | 114.3 | A109 D144 | A109-D111 VanDerWaalsContact C-N 3.27Å; A109-D111 PolarHBondContact O-N 2.76Å; D111-D144 PolarHBondContact N-OD2 3.06Å | ||
| 112 | N | 96.4 | Very high | 97.4 | Very high | 43 Ų | 43 | 52.7 Ų | 52.7 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | trans | -108.9 | 133.3 | 164.4 | -62.7 | -89.1 | 0 | 0 | 0 | 110.5 | L143 D144 | N112-L143 HydrophobicContact CB-CB 4.2Å; N112-D144 WeakPolarHBondContact CB-OD1 3.35Å; N112-D144 PolarHBondContact N-OD1 3.34Å; N112-D144 PolarHBondContact N-OD2 3Å; N112-D144 PolarHBondContact ND2-OD1 3.23Å | ||
| 113 | A | 96.9 | Very high | 97.6 | Very high | 35 Ų | 35 | 53.2 Ų | 53.2 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | trans | -86.9 | 152.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | V115 E204 | A113-V115 WeakPolarHBondContact O-CG2 3.05Å; A113-V115 PolarHBondContact O-N 3.14Å; A113-E204 HydrophobicContact CB-CB 3.98Å; A113-E204 WeakPolarHBondContact CB-OE2 3.28Å | ||
| 114 | P | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | trans | -57.4 | 135.9 | 171.3 | -24.3 | 31.3 | 0 | 0 | 0 | 111.2 | A140 D142 I151 A196 D198 A206 | P114-A140 HydrophobicContact CB-CB 4.49Å; P114-D142 WeakPolarHBondContact CA-OD2 3.4Å; P114-D142 WeakPolarHBondContact CD-OD2 3.15Å; P114-D142 VanDerWaalsContact CG-OD2 3.23Å; P114-D142 WeakPolarHBondContact CG-OD2 3.1Å; P114-I151 HydrophobicContact CB-CD1 4.17Å; P114-I151 HydrophobicContact CB-CG1 4.19Å; P114-I151 HydrophobicContact CG-CG1 4.31Å; P114-A196 HydrophobicContact CB-CB 4.05Å; P114-D198 HydrophobicContact CG-CB 4.14Å; P114-A206 WeakPolarHBondContact O-CB 3.14Å | ||
| 115 | V | 98.2 | Very high | 97.7 | Very high | 91 Ų | 91 | 59.9 Ų | 59.9 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 121.3 | 178.8 | -177.9 | 0 | 0 | 0 | 0 | 110.4 | A113 A140 T141 | A113-V115 WeakPolarHBondContact O-CG2 3.05Å; A113-V115 PolarHBondContact O-N 3.14Å; V115-A140 CarbonylContact O-C 3.55Å; V115-A140 WeakPolarHBondContact O-CA 3.12Å; V115-T141 PolarHBondContact N-O 3.31Å; V115-T141 PolarHBondContact O-N 3.38Å |
| 116 | F | 98.5 | Very high | 97.7 | Very high | 20 Ų | 20 | 59 Ų | 59 | 9% | 0.088 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 139.8 | 170.6 | -74.3 | -81.2 | 0 | 0 | 0 | 111.4 | Q118 Y121 V138 L139 A140 Y153 I194 A196 A206 C208 | F116-Q118 WeakPolarHBondContact CB-O 3.49Å; F116-Q118 PolarHBondContact O-N 2.8Å; F116-Y121 HydrophobicContact CD1-CE2 4.44Å; F116-V138 HydrophobicContact CD1-CB 4.29Å; F116-V138 HydrophobicContact CE1-CB 3.98Å; F116-V138 HydrophobicContact CE1-CG2 3.92Å; F116-L139 CarbonylContact C-O 3.5Å; F116-L139 WeakPolarHBondContact CA-O 3.23Å; F116-A140 HydrophobicContact CD1-CB 3.83Å; F116-A140 HydrophobicContact CD2-CB 4.5Å; F116-A140 HydrophobicContact CE1-CB 4Å; F116-A140 HydrophobicContact CG-CB 4.1Å; F116-A140 HydrophobicContact CZ-CB 4.42Å; F116-Y153 HydrophobicContact CE1-CD1 4.11Å; F116-Y153 AromaticContact CE1-CE1 3.79Å; F116-Y153 HydrophobicContact CE1-CE1 3.79Å; F116-Y153 HydrophobicContact CZ-CD1 4.31Å; F116-Y153 HydrophobicContact CZ-CE1 4.3Å; F116-I194 HydrophobicContact CZ-CG2 4.15Å; F116-A196 HydrophobicContact CE1-CB 4.14Å; F116-A196 HydrophobicContact CE2-CB 3.62Å; F116-A196 HydrophobicContact CZ-CB 3.41Å; F116-A196 VanDerWaalsContact CZ-CB 3.41Å; F116-A206 HydrophobicContact CD2-CB 4.14Å; F116-A206 HydrophobicContact CE2-CB 4.31Å; F116-C208 HydrophobicContact CB-CB 4.18Å; F116-C208 HydrophobicContact CD1-CB 4.01Å; F116-C208 HydrophobicContact CD2-CB 3.75Å; F116-C208 HydrophobicContact CE1-CB 4.31Å; F116-C208 VanDerWaalsContact CE1-SG 3.59Å; F116-C208 HydrophobicContact CE2-CB 4.06Å; F116-C208 HydrophobicContact CG-CB 3.72Å; F116-C208 HydrophobicContact CZ-CB 4.33Å |
| 117 | N | 98.1 | Very high | 97.7 | Very high | 94 Ų | 94 | 59.2 Ų | 59.2 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -66.7 | -17.9 | 175.8 | 74 | -9.6 | 0 | 0 | 0 | 113.2 | Y121 L139 | N117-Y121 PolarHBondContact OD1-OH 3.23Å; N117-L139 PolarHBondContact N-O 3.44Å |
| 118 | Q | 98 | Very high | 97.6 | Very high | 95 Ų | 95 | 61.4 Ų | 61.4 | 44% | 0.444 | 32% | 0.317 | S | S | . | . | trans | -142.7 | 139 | 176.8 | -61.4 | 177 | 22.5 | 0 | 0 | 109.8 | F116 L120 Y121 | F116-Q118 WeakPolarHBondContact CB-O 3.49Å; F116-Q118 PolarHBondContact O-N 2.8Å; Q118-L120 PolarHBondContact OE1-O 3.21Å; Q118-Y121 HydrophobicContact CB-CD2 4.29Å; Q118-Y121 HydrophobicContact CB-CE1 4.17Å; Q118-Y121 HydrophobicContact CB-CE2 3.9Å; Q118-Y121 HydrophobicContact CG-CE1 4.46Å; Q118-Y121 WeakPolarHBondContact O-CE2 3.22Å | ||
| 119 | S | 97.1 | Very high | 97.6 | Very high | 100 Ų | 100 | 60.5 Ų | 60.5 | 70% | 0.699 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -78.1 | -25.2 | 172.4 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | K209 | S119-K209 PolarHBondContact O-N 2.97Š|
| 120 | L | 98.2 | Very high | 97.7 | Very high | 66 Ų | 66 | 64.2 Ų | 64.2 | 35% | 0.346 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 121.4 | 179.5 | 177.2 | 65.2 | 0 | 0 | 0 | 111.2 | Q118 R122 K209 L211 | Q118-L120 PolarHBondContact OE1-O 3.21Å; L120-R122 HydrophobicContact CG-CG 4.48Å; L120-K209 CarbonylContact C-O 3.53Å; L120-K209 VanDerWaalsContact CA-O 3.31Å; L120-K209 WeakPolarHBondContact CA-O 3.43Å; L120-K209 HydrophobicContact CD1-CB 3.94Å; L120-K209 HydrophobicContact CD1-CD 3.99Å; L120-K209 HydrophobicContact CD1-CG 3.9Å; L120-L211 HydrophobicContact CD1-CB 4.24Å |
| 121 | Y | 98.5 | Very high | 97.7 | Very high | 8 Ų | 8 | 66.7 Ų | 66.7 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 144.2 | 171.1 | -60.7 | -104.3 | 0 | 0 | 0 | 109.6 | F116 N117 Q118 V136 V138 L139 C208 K209 V210 L211 | F116-Y121 HydrophobicContact CD1-CE2 4.44Å; N117-Y121 PolarHBondContact OD1-OH 3.23Å; Q118-Y121 HydrophobicContact CB-CD2 4.29Å; Q118-Y121 HydrophobicContact CB-CE1 4.17Å; Q118-Y121 HydrophobicContact CB-CE2 3.9Å; Q118-Y121 HydrophobicContact CG-CE1 4.46Å; Q118-Y121 WeakPolarHBondContact O-CE2 3.22Å; Y121-V136 HydrophobicContact CD1-CG2 4.04Å; Y121-V138 HydrophobicContact CD1-CG1 4.17Å; Y121-V138 HydrophobicContact CD2-CG1 3.81Å; Y121-V138 HydrophobicContact CE1-CB 4.23Å; Y121-V138 HydrophobicContact CE1-CG1 4.06Å; Y121-V138 HydrophobicContact CE2-CB 4.09Å; Y121-V138 HydrophobicContact CE2-CG1 3.71Å; Y121-V138 HydrophobicContact CG-CG1 4.03Å; Y121-L139 PolarHBondContact OH-N 3.01Å; Y121-L139 PolarHBondContact OH-O 3.06Å; Y121-C208 HydrophobicContact CD2-CB 4.31Å; Y121-C208 HydrophobicContact CE2-CB 3.9Å; Y121-K209 PolarHBondContact N-O 2.91Å; Y121-V210 HydrophobicContact CD2-CG2 4.39Å; Y121-V210 WeakPolarHBondContact O-CA 3.37Å; Y121-L211 PolarHBondContact O-N 3.17Å |
| 122 | R | 98.4 | Very high | 97.8 | Very high | 156 Ų | 156 | 64.7 Ų | 64.7 | 59% | 0.589 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 134.9 | 176.8 | -68 | 177.9 | 174.3 | -94.9 | -2.5 | 109.9 | L120 L211 E213 | L120-R122 HydrophobicContact CG-CG 4.48Å; R122-L211 WeakPolarHBondContact CA-O 3.13Å; R122-L211 HydrophobicContact CG-CB 4.38Å; R122-L211 VanDerWaalsContact NH1-CD2 3.32Å; R122-E213 IonicContact NH1-OE1 2.76Å |
| 123 | A | 98.1 | Very high | 97.9 | Very high | 12 Ų | 12 | 64.9 Ų | 64.9 | 10% | 0.099 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 154.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V135 V136 L211 V212 E213 | A123-V135 HydrophobicContact CB-CG1 3.66Å; A123-V136 HydrophobicContact CB-CB 4.25Å; A123-L211 PolarHBondContact N-O 3.31Å; A123-V212 WeakPolarHBondContact O-CA 3.31Å; A123-E213 PolarHBondContact O-N 3.16Å |
| 124 | R | 98.1 | Very high | 98 | Very high | 188 Ų | 188 | 71.5 Ų | 71.5 | 71% | 0.709 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134.2 | 173.1 | -72.6 | -179.7 | 174.1 | -164.2 | -5.1 | 109.1 | E213 V215 | R124-E213 VanDerWaalsContact CA-O 3.31Å; R124-E213 WeakPolarHBondContact CA-O 3.38Å; R124-E213 HydrophobicContact CG-CB 3.92Å; R124-E213 IonicContact CZ-OE2 3.21Å; R124-E213 IonicContact NE-OE2 3.1Å; R124-E213 PolarHBondContact NE-OE2 3.44Å; R124-E213 IonicContact NH2-OE2 2.83Å; R124-E213 PolarHBondContact NH2-OE2 2.76Å; R124-V215 HydrophobicContact CB-CG2 4.19Å |
| 125 | V | 97.9 | Very high | 98 | Very high | 10 Ų | 10 | 72.4 Ų | 72.4 | 6% | 0.061 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 141.4 | 178.9 | -63.9 | 0 | 0 | 0 | 0 | 109.4 | V135 I178 L182 V212 E213 V214 V215 | V125-V135 HydrophobicContact CG1-CB 4.39Å; V125-V135 HydrophobicContact CG1-CG1 3.98Å; V125-V135 HydrophobicContact CG1-CG2 4.09Å; V125-I178 HydrophobicContact CB-CD1 4.2Å; V125-I178 HydrophobicContact CG1-CD1 4.34Å; V125-L182 HydrophobicContact CB-CD1 4.42Å; V125-L182 HydrophobicContact CG2-CD1 3.44Å; V125-L182 VanDerWaalsContact CG2-CD1 3.44Å; V125-V212 HydrophobicContact CG1-CG1 4.28Å; V125-V212 HydrophobicContact CG2-CG1 3.49Å; V125-V212 VanDerWaalsContact CG2-CG1 3.49Å; V125-E213 PolarHBondContact N-O 3.09Å; V125-V214 CarbonylContact O-C 3.56Å; V125-V214 WeakPolarHBondContact O-CA 3.43Å; V125-V215 PolarHBondContact O-N 3.47Å |
| 126 | L | 98.1 | Very high | 98 | Very high | 87 Ų | 87 | 69.4 Ų | 69.4 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 146.4 | 170.3 | -63.7 | 165.7 | 0 | 0 | 0 | 109.1 | D128 A129 V215 V217 | L126-D128 VanDerWaalsContact C-N 3.27Å; L126-D128 VanDerWaalsContact CB-OD1 3.25Å; L126-D128 WeakPolarHBondContact CB-OD1 3.35Å; L126-D128 PolarHBondContact O-N 3.14Å; L126-A129 HydrophobicContact CB-CB 4.47Å; L126-A129 WeakPolarHBondContact O-CB 3.3Å; L126-A129 PolarHBondContact O-N 3.35Å; L126-V215 HydrophobicContact CD2-CB 4.01Å; L126-V215 HydrophobicContact CD2-CG1 3.85Å; L126-V217 HydrophobicContact CB-CG2 4.32Å; L126-V217 HydrophobicContact CD2-CG2 3.96Å |
| 127 | E | 97.9 | Very high | 98 | Very high | 9 Ų | 9 | 72.9 Ų | 72.9 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -32.8 | 178.1 | 72.4 | -171.6 | 122.6 | 0 | 0 | 113.2 | A129 L182 F184 V214 V215 D216 V217 | E127-A129 PolarHBondContact O-N 3.46Å; E127-L182 HydrophobicContact CB-CB 4.49Å; E127-F184 HydrophobicContact CB-CB 4.33Å; E127-F184 WeakPolarHBondContact OE2-CB 3.04Å; E127-F184 PolarHBondContact OE2-N 3Å; E127-V214 HydrophobicContact CB-CG1 3.64Å; E127-V215 PolarHBondContact N-O 2.94Å; E127-V215 VanDerWaalsContact N-O 3.16Å; E127-D216 WeakPolarHBondContact OE1-CA 3.47Å; E127-V217 HydrophobicContact CG-CB 4.09Å; E127-V217 HydrophobicContact CG-CG2 4.14Å; E127-V217 WeakPolarHBondContact OE1-CA 3.31Å; E127-V217 PolarHBondContact OE1-N 3.44Å |
| 128 | D | 96.7 | Very high | 98 | Very high | 103 Ų | 103 | 68.4 Ų | 68.4 | 55% | 0.551 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | 3.8 | 179.2 | 75.1 | -20.7 | 0 | 0 | 0 | 113.5 | L126 | L126-D128 VanDerWaalsContact C-N 3.27Å; L126-D128 VanDerWaalsContact CB-OD1 3.25Å; L126-D128 WeakPolarHBondContact CB-OD1 3.35Å; L126-D128 PolarHBondContact O-N 3.14Å |
| 129 | A | 97.5 | Very high | 98 | Very high | 16 Ų | 16 | 67.8 Ų | 67.8 | 13% | 0.132 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 131.2 | -178 | 0 | 0 | 0 | 0 | 0 | 111.2 | L126 E127 T133 I178 | L126-A129 HydrophobicContact CB-CB 4.47Å; L126-A129 WeakPolarHBondContact O-CB 3.3Å; L126-A129 PolarHBondContact O-N 3.35Å; E127-A129 PolarHBondContact O-N 3.46Å; A129-T133 HydrophobicContact CB-CG2 4.33Å; A129-I178 HydrophobicContact CB-CD1 3.48Å; A129-I178 VanDerWaalsContact CB-CD1 3.48Å |
| 130 | P | 97.6 | Very high | 98.1 | Very high | 92 Ų | 92 | 63.3 Ų | 63.3 | 60% | 0.597 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -69.4 | 155 | -174.7 | 27.4 | -34.6 | 0 | 0 | 0 | 112.3 | G132 T133 | P130-G132 PolarHBondContact O-N 3.31Å; P130-T133 WeakPolarHBondContact CD-OG1 3.38Å; P130-T133 VanDerWaalsContact O-CB 3.29Å; P130-T133 WeakPolarHBondContact O-CB 3.22Å; P130-T133 PolarHBondContact O-N 3.23Å; P130-T133 VanDerWaalsContact O-N 3.11Å; P130-T133 PolarHBondContact O-OG1 3.25Å |
| 131 | S | 97.8 | Very high | 98.1 | Very high | 84 Ų | 84 | 64.1 Ų | 64.1 | 59% | 0.587 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 137.3 | 169.9 | -56.1 | 0 | 0 | 0 | 0 | 111 | K179 | S131-K179 PolarHBondContact OG-O 2.88Š|
| 132 | G | 97.9 | Very high | 98.1 | Very high | 49 Ų | 49 | 64.8 Ų | 64.8 | 51% | 0.505 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -8.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | P130 R134 I178 | P130-G132 PolarHBondContact O-N 3.31Å; G132-R134 PolarHBondContact O-N 2.75Å; G132-I178 PolarHBondContact N-O 2.97Å |
| 133 | T | 98.5 | Very high | 98.1 | Very high | 46 Ų | 46 | 62.6 Ų | 62.6 | 28% | 0.282 | 34% | 0.337 | S | S | . | . | trans | -58.9 | 129.5 | 173.9 | -60.9 | 0 | 0 | 0 | 0 | 110.5 | A129 P130 T177 I178 | A129-T133 HydrophobicContact CB-CG2 4.33Å; P130-T133 WeakPolarHBondContact CD-OG1 3.38Å; P130-T133 VanDerWaalsContact O-CB 3.29Å; P130-T133 WeakPolarHBondContact O-CB 3.22Å; P130-T133 PolarHBondContact O-N 3.23Å; P130-T133 VanDerWaalsContact O-N 3.11Å; P130-T133 PolarHBondContact O-OG1 3.25Å; T133-T177 CarbonylContact O-C 3.53Å; T133-T177 WeakPolarHBondContact O-CA 3.41Å; T133-T177 WeakPolarHBondContact O-CB 3.41Å; T133-I178 HydrophobicContact CG2-CD1 4.31Å; T133-I178 PolarHBondContact O-N 3.02Å | ||
| 134 | R | 98.4 | Very high | 98.1 | Very high | 174 Ų | 174 | 62.5 Ų | 62.5 | 66% | 0.657 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 125.8 | 177.7 | -66.1 | 171.2 | 67.2 | -179.8 | 1 | 109.7 | G132 M175 T177 | G132-R134 PolarHBondContact O-N 2.75Å; R134-M175 HydrophobicContact CB-SD 3.87Å; R134-M175 HydrophobicContact CG-CG 4.33Å; R134-M175 HydrophobicContact CG-SD 3.82Å; R134-M175 VanDerWaalsContact NE-CE 3.3Å; R134-M175 PolarHBondContact NE-SD 3.02Å; R134-M175 VanDerWaalsContact NE-SD 3.45Å; R134-T177 HydrophobicContact CG-CG2 4.39Å |
| 135 | V | 98.4 | Very high | 98 | Very high | 20 Ų | 20 | 58.6 Ų | 58.6 | 12% | 0.121 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -60.8 | -179.1 | -177.6 | 0 | 0 | 0 | 0 | 109.9 | A123 V125 F167 L176 I178 V212 | A123-V135 HydrophobicContact CB-CG1 3.66Å; V125-V135 HydrophobicContact CG1-CB 4.39Å; V125-V135 HydrophobicContact CG1-CG1 3.98Å; V125-V135 HydrophobicContact CG1-CG2 4.09Å; V135-F167 HydrophobicContact CG2-CD1 4.28Å; V135-F167 HydrophobicContact CG2-CE1 4.26Å; V135-L176 HydrophobicContact CB-CB 4.42Å; V135-L176 HydrophobicContact CB-CD2 4.23Å; V135-L176 HydrophobicContact CB-CG 4.38Å; V135-L176 WeakPolarHBondContact CB-O 3.38Å; V135-L176 HydrophobicContact CG1-CD2 4.14Å; V135-L176 PolarHBondContact N-O 3.01Å; V135-I178 HydrophobicContact CG2-CG1 3.72Å; V135-V212 HydrophobicContact CG1-CG1 4.02Å; V135-V212 HydrophobicContact CG1-CG2 3.76Å |
| 136 | V | 98.4 | Very high | 97.9 | Very high | 28 Ų | 28 | 59.9 Ų | 59.9 | 17% | 0.17 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 152.5 | 178.5 | 66.5 | 0 | 0 | 0 | 0 | 109.3 | Y121 A123 L176 V210 | Y121-V136 HydrophobicContact CD1-CG2 4.04Å; A123-V136 HydrophobicContact CB-CB 4.25Å; V136-L176 HydrophobicContact CG1-CB 4.2Å; V136-L176 HydrophobicContact CG1-CD2 4.26Å; V136-L176 PolarHBondContact N-O 2.7Å; V136-L176 WeakPolarHBondContact O-CB 3.29Å; V136-L176 PolarHBondContact O-N 3.1Å; V136-V210 HydrophobicContact CG1-CG1 3.56Å; V136-V210 HydrophobicContact CG1-CG2 4.29Å |
| 137 | Q | 98.6 | Very high | 97.8 | Very high | 93 Ų | 93 | 59.2 Ų | 59.2 | 44% | 0.435 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 121.4 | 169.4 | -167.2 | 169.6 | 1.3 | 0 | 0 | 108.9 | T173 M175 | Q137-T173 WeakPolarHBondContact CG-O 3.35Å; Q137-T173 PolarHBondContact NE2-O 2.8Å; Q137-M175 HydrophobicContact CB-CE 3.6Å; Q137-M175 HydrophobicContact CB-SD 4.32Å; Q137-M175 HydrophobicContact CG-CE 3.82Å |
| 138 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | trans | -86.5 | 147.2 | 168.8 | -61.1 | 0 | 0 | 0 | 0 | 109.8 | F116 Y121 Y153 G174 I194 V210 | F116-V138 HydrophobicContact CD1-CB 4.29Å; F116-V138 HydrophobicContact CE1-CB 3.98Å; F116-V138 HydrophobicContact CE1-CG2 3.92Å; Y121-V138 HydrophobicContact CD1-CG1 4.17Å; Y121-V138 HydrophobicContact CD2-CG1 3.81Å; Y121-V138 HydrophobicContact CE1-CB 4.23Å; Y121-V138 HydrophobicContact CE1-CG1 4.06Å; Y121-V138 HydrophobicContact CE2-CB 4.09Å; Y121-V138 HydrophobicContact CE2-CG1 3.71Å; Y121-V138 HydrophobicContact CG-CG1 4.03Å; V138-Y153 HydrophobicContact CG2-CD1 3.9Å; V138-Y153 HydrophobicContact CG2-CE1 4.02Å; V138-G174 WeakPolarHBondContact CG2-O 3.42Å; V138-G174 PolarHBondContact N-O 3.06Å; V138-I194 HydrophobicContact CG1-CD1 3.84Å; V138-I194 HydrophobicContact CG2-CD1 4.05Å; V138-I194 HydrophobicContact CG2-CG2 4.07Å; V138-V210 HydrophobicContact CG1-CG2 3.77Å | ||
| 139 | L | 98.2 | Very high | 97.8 | Very high | 83 Ų | 83 | 56.2 Ų | 56.2 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | trans | -131.4 | 122 | 180 | -176.5 | 67 | 0 | 0 | 0 | 109.6 | F116 N117 Y121 | F116-L139 CarbonylContact C-O 3.5Å; F116-L139 WeakPolarHBondContact CA-O 3.23Å; N117-L139 PolarHBondContact N-O 3.44Å; Y121-L139 PolarHBondContact OH-N 3.01Å; Y121-L139 PolarHBondContact OH-O 3.06Å | ||
| 140 | A | 98.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 59.8 Ų | 59.8 | 5% | 0.05 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 153.3 | 166 | 0 | 0 | 0 | 0 | 0 | 110.2 | P114 V115 F116 I151 Y153 A196 | P114-A140 HydrophobicContact CB-CB 4.49Å; V115-A140 CarbonylContact O-C 3.55Å; V115-A140 WeakPolarHBondContact O-CA 3.12Å; F116-A140 HydrophobicContact CD1-CB 3.83Å; F116-A140 HydrophobicContact CD2-CB 4.5Å; F116-A140 HydrophobicContact CE1-CB 4Å; F116-A140 HydrophobicContact CG-CB 4.1Å; F116-A140 HydrophobicContact CZ-CB 4.42Å; A140-I151 HydrophobicContact CB-CD1 3.91Å; A140-I151 HydrophobicContact CB-CG2 4.47Å; A140-I151 VanDerWaalsContact O-CD1 3.24Å; A140-I151 WeakPolarHBondContact O-CD1 3.26Å; A140-Y153 HydrophobicContact CB-CE1 3.94Å; A140-Y153 PolarHBondContact N-OH 2.83Å; A140-Y153 PolarHBondContact O-OH 3.31Å; A140-A196 HydrophobicContact CB-CB 3.69Å |
| 141 | T | 98.1 | Very high | 97.8 | Very high | 83 Ų | 83 | 56.7 Ų | 56.7 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 144.3 | 176.2 | 53 | 0 | 0 | 0 | 0 | 109.6 | V115 | V115-T141 PolarHBondContact N-O 3.31Å; V115-T141 PolarHBondContact O-N 3.38Å |
| 142 | D | 98.4 | Very high | 97.8 | Very high | 22 Ų | 22 | 55.4 Ų | 55.4 | 12% | 0.118 | 31% | 0.308 | C | S | . | . | trans | -127.8 | 141.3 | 176.3 | -159.4 | -47.2 | 0 | 0 | 0 | 107.3 | P114 D144 I151 | P114-D142 WeakPolarHBondContact CA-OD2 3.4Å; P114-D142 WeakPolarHBondContact CD-OD2 3.15Å; P114-D142 VanDerWaalsContact CG-OD2 3.23Å; P114-D142 WeakPolarHBondContact CG-OD2 3.1Å; D142-D144 PolarHBondContact OD1-N 2.7Å; D142-D144 VanDerWaalsContact OD1-N 3.14Å; D142-I151 HydrophobicContact CB-CD1 4.06Å; D142-I151 HydrophobicContact CB-CG1 4.08Å | ||
| 143 | L | 97.8 | Very high | 97.9 | Very high | 109 Ų | 109 | 53.8 Ų | 53.8 | 57% | 0.571 | 29% | 0.287 | S | S | * | . | trans | -91.6 | -16.2 | -173.4 | -62.4 | -178.5 | 0 | 0 | 0 | 112.6 | R76 E77 N112 | R76-L143 PolarHBondContact NH2-O 2.83Å; E77-L143 HydrophobicContact CG-CB 3.66Å; N112-L143 HydrophobicContact CB-CB 4.2Å | ||
| 144 | D | 98.1 | Very high | 97.8 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 5% | 0.053 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -69.9 | 163.3 | -178.1 | -62 | -14.3 | 0 | 0 | 0 | 111.7 | N110 D111 N112 D142 N148 G149 | N110-D144 WeakPolarHBondContact CA-OD2 3.11Å; D111-D144 PolarHBondContact N-OD2 3.06Å; N112-D144 WeakPolarHBondContact CB-OD1 3.35Å; N112-D144 PolarHBondContact N-OD1 3.34Å; N112-D144 PolarHBondContact N-OD2 3Å; N112-D144 PolarHBondContact ND2-OD1 3.23Å; D142-D144 PolarHBondContact OD1-N 2.7Å; D142-D144 VanDerWaalsContact OD1-N 3.14Å; D144-N148 HydrophobicContact CB-CB 3.43Å; D144-N148 VanDerWaalsContact CB-CB 3.43Å; D144-G149 VanDerWaalsContact O-CA 3.28Å; D144-G149 WeakPolarHBondContact O-CA 3.3Å |
| 145 | E | 96.1 | Very high | 97.8 | Very high | 106 Ų | 106 | 46.2 Ų | 46.2 | 50% | 0.495 | 26% | 0.26 | S | S | . | . | trans | -92.1 | 141.4 | -176 | -165.1 | 175 | 162.6 | 0 | 0 | 113.3 | R76 D108 N148 | R76-E145 IonicContact CZ-OE2 3.02Å; R76-E145 IonicContact NH1-OE2 2.85Å; R76-E145 PolarHBondContact NH1-OE2 3.04Å; D108-E145 HydrophobicContact CB-CB 3.98Å; D108-E145 VanDerWaalsContact CG-N 3.3Å; D108-E145 WeakPolarHBondContact OD1-CB 3.27Å; D108-E145 PolarHBondContact OD1-N 2.92Å; D108-E145 PolarHBondContact OD2-N 3.16Å; E145-N148 PolarHBondContact O-N 3.31Å | ||
| 146 | G | 96.1 | Very high | 97.7 | Very high | 37 Ų | 37 | 45.5 Ų | 45.5 | 38% | 0.381 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | 61.1 | -133.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N148 G149 E150 | G146-N148 PolarHBondContact O-N 2.77Å; G146-N148 VanDerWaalsContact O-N 3.16Å; G146-G149 PolarHBondContact O-N 3.09Å; G146-E150 WeakPolarHBondContact O-CG 3.36Å; G146-E150 PolarHBondContact O-N 3.32Å |
| 147 | P | 96.6 | Very high | 97.3 | Very high | 74 Ų | 74 | 49 Ų | 49 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -56.7 | -29.6 | -179 | -25.8 | 35.3 | 0 | 0 | 0 | 114.7 | G149 E150 K199 G200 | P147-G149 VanDerWaalsContact C-N 3.29Å; P147-E150 PolarHBondContact O-N 3.44Å; P147-K199 HydrophobicContact CB-CB 4.4Å; P147-K199 CarbonylContact O-C 3.48Å; P147-K199 VanDerWaalsContact O-CA 3.3Å; P147-K199 WeakPolarHBondContact O-CA 3.38Å; P147-K199 WeakPolarHBondContact O-CB 3.3Å; P147-K199 PolarHBondContact O-N 2.7Å; P147-G200 PolarHBondContact O-N 3.41Å |
| 148 | N | 97.1 | Very high | 96.8 | Very high | 29 Ų | 29 | 51.5 Ų | 51.5 | 16% | 0.155 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -68.7 | -31.4 | 178.1 | -66 | -2.1 | 0 | 0 | 0 | 111.2 | D108 N110 D144 E145 G146 D198 G200 | D108-N148 WeakPolarHBondContact OD2-CB 3.44Å; D108-N148 PolarHBondContact OD2-ND2 3.24Å; N110-N148 HydrophobicContact CB-CB 4.12Å; N110-N148 PolarHBondContact N-ND2 3.34Å; N110-N148 WeakPolarHBondContact OD1-CA 2.96Å; N110-N148 WeakPolarHBondContact OD1-CB 3.28Å; N110-N148 VanDerWaalsContact OD1-CG 3.3Å; N110-N148 PolarHBondContact OD1-O 3.31Å; N110-N148 PolarHBondContact OD1-OD1 3.36Å; D144-N148 HydrophobicContact CB-CB 3.43Å; D144-N148 VanDerWaalsContact CB-CB 3.43Å; E145-N148 PolarHBondContact O-N 3.31Å; G146-N148 PolarHBondContact O-N 2.77Å; G146-N148 VanDerWaalsContact O-N 3.16Å; N148-D198 WeakPolarHBondContact O-CB 2.99Å; N148-G200 VanDerWaalsContact OD1-CA 3.3Å; N148-G200 WeakPolarHBondContact OD1-CA 3.42Å |
| 149 | G | 96.9 | Very high | 96.6 | Very high | 19 Ų | 19 | 53 Ų | 53 | 20% | 0.196 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -4.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | D144 G146 P147 I151 | D144-G149 VanDerWaalsContact O-CA 3.28Å; D144-G149 WeakPolarHBondContact O-CA 3.3Å; G146-G149 PolarHBondContact O-N 3.09Å; P147-G149 VanDerWaalsContact C-N 3.29Å; G149-I151 PolarHBondContact O-N 3.47Å |
| 150 | E | 97.6 | Very high | 96.3 | Very high | 91 Ų | 91 | 58.2 Ų | 58.2 | 43% | 0.425 | 32% | 0.316 | S | S | . | . | trans | -82.7 | 111.2 | -175.8 | -82.9 | -179 | -160.1 | 0 | 0 | 112 | G146 P147 D198 K199 | G146-E150 WeakPolarHBondContact O-CG 3.36Å; G146-E150 PolarHBondContact O-N 3.32Å; P147-E150 PolarHBondContact O-N 3.44Å; E150-D198 CarbonylContact O-C 3.59Å; E150-D198 WeakPolarHBondContact O-CA 3.47Å; E150-K199 HydrophobicContact CB-CB 4.46Å; E150-K199 HydrophobicContact CB-CD 3.85Å; E150-K199 HydrophobicContact CB-CG 4.45Å; E150-K199 WeakPolarHBondContact O-CG 3.42Å; E150-K199 PolarHBondContact O-N 2.84Å; E150-K199 IonicContact OE2-NZ 3.97Å; E150-K199 PolarHBondContact OE2-NZ 3.16Å | ||
| 151 | I | 98.2 | Very high | 95.7 | Very high | 28 Ų | 28 | 63 Ų | 63 | 14% | 0.144 | 36% | 0.355 | C | S | . | . | trans | -88.9 | 137.2 | -174.2 | -60.2 | 168.8 | 0 | 0 | 0 | 112.7 | P114 A140 D142 G149 Y153 A196 | P114-I151 HydrophobicContact CB-CD1 4.17Å; P114-I151 HydrophobicContact CB-CG1 4.19Å; P114-I151 HydrophobicContact CG-CG1 4.31Å; A140-I151 HydrophobicContact CB-CD1 3.91Å; A140-I151 HydrophobicContact CB-CG2 4.47Å; A140-I151 VanDerWaalsContact O-CD1 3.24Å; A140-I151 WeakPolarHBondContact O-CD1 3.26Å; D142-I151 HydrophobicContact CB-CD1 4.06Å; D142-I151 HydrophobicContact CB-CG1 4.08Å; G149-I151 PolarHBondContact O-N 3.47Å; I151-Y153 HydrophobicContact CG2-CD1 4.47Å; I151-Y153 HydrophobicContact CG2-CD2 4.38Å; I151-Y153 HydrophobicContact CG2-CE1 4.09Å; I151-Y153 HydrophobicContact CG2-CE2 3.98Å; I151-A196 HydrophobicContact CG2-CB 3.72Å | ||
| 152 | I | 98.3 | Very high | 95.4 | Very high | 57 Ų | 57 | 60 Ų | 60 | 29% | 0.292 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.5 | 167.3 | -60.2 | -65.6 | 0 | 0 | 0 | 110.3 | L171 K197 K199 | I152-L171 HydrophobicContact CD1-CD1 3.73Å; I152-L171 HydrophobicContact CG2-CB 4.37Å; I152-L171 HydrophobicContact CG2-CD1 4.46Å; I152-K197 PolarHBondContact N-O 3.44Å; I152-K197 PolarHBondContact O-N 3.25Å; I152-K199 HydrophobicContact CD1-CD 4.1Å; I152-K199 HydrophobicContact CG1-CD 3.77Å; I152-K199 HydrophobicContact CG1-CG 3.84Å |
| 153 | Y | 98.6 | Very high | 95.2 | Very high | 15 Ų | 15 | 59.3 Ų | 59.3 | 6% | 0.059 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 141.1 | 176.5 | -59.4 | -84 | 0 | 0 | 0 | 111.8 | F116 V138 A140 I151 L171 V172 I194 Q195 A196 | F116-Y153 HydrophobicContact CE1-CD1 4.11Å; F116-Y153 AromaticContact CE1-CE1 3.79Å; F116-Y153 HydrophobicContact CE1-CE1 3.79Å; F116-Y153 HydrophobicContact CZ-CD1 4.31Å; F116-Y153 HydrophobicContact CZ-CE1 4.3Å; V138-Y153 HydrophobicContact CG2-CD1 3.9Å; V138-Y153 HydrophobicContact CG2-CE1 4.02Å; A140-Y153 HydrophobicContact CB-CE1 3.94Å; A140-Y153 PolarHBondContact N-OH 2.83Å; A140-Y153 PolarHBondContact O-OH 3.31Å; I151-Y153 HydrophobicContact CG2-CD1 4.47Å; I151-Y153 HydrophobicContact CG2-CD2 4.38Å; I151-Y153 HydrophobicContact CG2-CE1 4.09Å; I151-Y153 HydrophobicContact CG2-CE2 3.98Å; Y153-L171 WeakPolarHBondContact CD2-O 3.29Å; Y153-L171 PolarHBondContact N-O 3.15Å; Y153-V172 WeakPolarHBondContact CE2-O 3.29Å; Y153-I194 HydrophobicContact CD1-CG2 4.44Å; Y153-Q195 CarbonylContact C-O 3.52Å; Y153-Q195 WeakPolarHBondContact CA-O 3.32Å; Y153-A196 HydrophobicContact CD1-CB 4.12Å; Y153-A196 HydrophobicContact CE1-CB 4.07Å |
| 154 | S | 98.2 | Very high | 95.1 | Very high | 42 Ų | 42 | 61.4 Ų | 61.4 | 29% | 0.294 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 160.3 | 175.2 | 67.3 | 0 | 0 | 0 | 0 | 112.2 | G156 Q195 | S154-G156 PolarHBondContact O-N 3.01Å; S154-Q195 PolarHBondContact N-O 2.86Å; S154-Q195 PolarHBondContact O-N 2.77Å |
| 155 | F | 98 | Very high | 95 | Very high | 19 Ų | 19 | 67.7 Ų | 67.7 | 8% | 0.083 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 126.6 | 170.5 | -67.2 | -72 | 0 | 0 | 0 | 110.2 | V163 R164 F167 L169 L176 I192 | F155-V163 HydrophobicContact CD1-CG1 3.96Å; F155-V163 HydrophobicContact CE1-CG1 3.87Å; F155-R164 HydrophobicContact CD2-CG 3.79Å; F155-R164 HydrophobicContact CE2-CG 4.22Å; F155-R164 HydrophobicContact CG-CG 4.28Å; F155-R164 PolarHBondContact O-NH2 2.97Å; F155-F167 HydrophobicContact CE1-CB 4.43Å; F155-F167 HydrophobicContact CZ-CB 4.15Å; F155-L169 HydrophobicContact CD2-CB 4.38Å; F155-L169 HydrophobicContact CE1-CB 4.16Å; F155-L169 HydrophobicContact CE2-CB 3.79Å; F155-L169 HydrophobicContact CZ-CB 3.66Å; F155-L176 HydrophobicContact CE1-CD1 3.75Å; F155-L176 HydrophobicContact CZ-CD1 3.97Å; F155-I192 HydrophobicContact CD1-CG2 3.83Å; F155-I192 HydrophobicContact CE1-CG2 3.8Å |
| 156 | G | 94.7 | Very high | 95 | Very high | 4 Ų | 4 | 64.7 Ų | 64.7 | 4% | 0.041 | 35% | 0.354 | C | S | . | . | trans | -62.3 | 160.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | S154 H158 N159 Y193 | S154-G156 PolarHBondContact O-N 3.01Å; G156-H158 VanDerWaalsContact C-N 3.28Å; G156-H158 PolarHBondContact O-N 3.46Å; G156-N159 PolarHBondContact N-ND2 2.99Å; G156-N159 PolarHBondContact O-ND2 2.9Å; G156-Y193 PolarHBondContact N-O 3Å | ||
| 157 | S | 90.1 | Very high | 95.2 | Very high | 103 Ų | 103 | 63 Ų | 63 | 72% | 0.72 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24.8 | -177.7 | 51.3 | 0 | 0 | 0 | 0 | 114.3 | N159 | S157-N159 VanDerWaalsContact C-N 3.26Å; S157-N159 PolarHBondContact O-N 2.89Å |
| 158 | H | 89.6 | Confident | 95.2 | Very high | 145 Ų | 145 | 61.1 Ų | 61.1 | 67% | 0.671 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | 7.9 | -175.4 | -57.9 | 91.9 | 0 | 0 | 0 | 114.2 | G156 Y193 | G156-H158 VanDerWaalsContact C-N 3.28Å; G156-H158 PolarHBondContact O-N 3.46Å; H158-Y193 HydrophobicContact CB-CD2 4.31Å; H158-Y193 HydrophobicContact CB-CG 4.44Å |
| 159 | N | 94.1 | Very high | 95.3 | Very high | 30 Ų | 30 | 61.1 Ų | 61.1 | 16% | 0.16 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 144.4 | 179.4 | -77.8 | -55.4 | 0 | 0 | 0 | 112.1 | G156 S157 V163 I192 Y193 | G156-N159 PolarHBondContact N-ND2 2.99Å; G156-N159 PolarHBondContact O-ND2 2.9Å; S157-N159 VanDerWaalsContact C-N 3.26Å; S157-N159 PolarHBondContact O-N 2.89Å; N159-V163 HydrophobicContact CB-CB 4.26Å; N159-V163 HydrophobicContact CB-CG1 4.49Å; N159-V163 HydrophobicContact CB-CG2 4.18Å; N159-I192 WeakPolarHBondContact OD1-CA 2.95Å; N159-Y193 PolarHBondContact ND2-O 2.8Å; N159-Y193 PolarHBondContact OD1-N 2.8Å |
| 160 | R | 90.9 | Very high | 95.4 | Very high | 193 Ų | 193 | 63.6 Ų | 63.6 | 73% | 0.728 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 151.6 | 172.1 | -66.3 | -174.2 | -179.9 | 180 | 1.5 | 111 | G162 V163 | R160-G162 PolarHBondContact O-N 2.89Å; R160-V163 HydrophobicContact CB-CG2 4.39Å; R160-V163 WeakPolarHBondContact O-CG2 3.39Å; R160-V163 PolarHBondContact O-N 2.87Å |
| 161 | A | 86.3 | Confident | 95.4 | Very high | 107 Ų | 107 | 63.6 Ų | 63.6 | 88% | 0.884 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 137.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 162 | G | 90.7 | Very high | 95.4 | Very high | 21 Ų | 21 | 67 Ų | 67 | 22% | 0.216 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | -18.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | R160 R164 Q165 L166 | R160-G162 PolarHBondContact O-N 2.89Å; G162-R164 VanDerWaalsContact C-N 3.26Å; G162-R164 PolarHBondContact O-N 2.84Å; G162-R164 VanDerWaalsContact O-N 3.17Å; G162-Q165 WeakPolarHBondContact O-CA 3.37Å; G162-Q165 VanDerWaalsContact O-CB 3.3Å; G162-Q165 WeakPolarHBondContact O-CB 3.37Å; G162-Q165 PolarHBondContact O-N 3.03Å; G162-L166 PolarHBondContact O-N 2.84Å |
| 163 | V | 95.1 | Very high | 95.4 | Very high | 7 Ų | 7 | 67.3 Ų | 67.3 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -54.8 | -41.7 | 179.4 | 170.7 | 0 | 0 | 0 | 0 | 112.2 | F155 N159 R160 Q165 L166 F167 I192 | F155-V163 HydrophobicContact CD1-CG1 3.96Å; F155-V163 HydrophobicContact CE1-CG1 3.87Å; N159-V163 HydrophobicContact CB-CB 4.26Å; N159-V163 HydrophobicContact CB-CG1 4.49Å; N159-V163 HydrophobicContact CB-CG2 4.18Å; R160-V163 HydrophobicContact CB-CG2 4.39Å; R160-V163 WeakPolarHBondContact O-CG2 3.39Å; R160-V163 PolarHBondContact O-N 2.87Å; V163-Q165 PolarHBondContact O-N 2.87Å; V163-L166 PolarHBondContact O-N 2.82Å; V163-F167 HydrophobicContact CG1-CD2 4.41Å; V163-F167 PolarHBondContact O-N 2.9Å; V163-I192 HydrophobicContact CG1-CG1 4.09Å; V163-I192 HydrophobicContact CG1-CG2 4.03Å |
| 164 | R | 95.4 | Very high | 95.3 | Very high | 153 Ų | 153 | 66.6 Ų | 66.6 | 58% | 0.577 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -71.9 | -11.1 | 177.9 | -64.8 | 179.4 | 175.8 | -107 | 2 | 114.5 | F155 G162 K179 | F155-R164 HydrophobicContact CD2-CG 3.79Å; F155-R164 HydrophobicContact CE2-CG 4.22Å; F155-R164 HydrophobicContact CG-CG 4.28Å; F155-R164 PolarHBondContact O-NH2 2.97Å; G162-R164 VanDerWaalsContact C-N 3.26Å; G162-R164 PolarHBondContact O-N 2.84Å; G162-R164 VanDerWaalsContact O-N 3.17Å; R164-K179 PolarHBondContact O-NZ 2.79Å |
| 165 | Q | 96.2 | Very high | 95.4 | Very high | 141 Ų | 141 | 65.6 Ų | 65.6 | 66% | 0.659 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -91.5 | -38.7 | 174.4 | -59.5 | 166.3 | 9.8 | 0 | 0 | 109.9 | G162 V163 G180 | G162-Q165 WeakPolarHBondContact O-CA 3.37Å; G162-Q165 VanDerWaalsContact O-CB 3.3Å; G162-Q165 WeakPolarHBondContact O-CB 3.37Å; G162-Q165 PolarHBondContact O-N 3.03Å; V163-Q165 PolarHBondContact O-N 2.87Å; Q165-G180 WeakPolarHBondContact O-CA 3.39Å; Q165-G180 PolarHBondContact O-N 2.85Å; Q165-G180 VanDerWaalsContact O-N 3.15Å |
| 166 | L | 97.4 | Very high | 95.4 | Very high | 44 Ų | 44 | 64.7 Ų | 64.7 | 23% | 0.23 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -81.9 | -35 | -179.5 | -62 | -179.7 | 0 | 0 | 0 | 113.6 | G162 V163 K179 G180 R181 L182 | G162-L166 PolarHBondContact O-N 2.84Å; V163-L166 PolarHBondContact O-N 2.82Å; L166-K179 WeakPolarHBondContact O-CA 3.25Å; L166-K179 PolarHBondContact O-N 2.8Å; L166-G180 PolarHBondContact O-N 2.85Å; L166-R181 VanDerWaalsContact CD2-O 3.24Å; L166-R181 WeakPolarHBondContact CD2-O 3.5Å; L166-L182 HydrophobicContact CB-CD2 4.31Å; L166-L182 HydrophobicContact CD1-CD2 4.5Å; L166-L182 HydrophobicContact CD2-CD2 4.48Å |
| 167 | F | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 66 Ų | 66 | 0% | 0.004 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 150.9 | -176.1 | -58.3 | -84.8 | 0 | 0 | 0 | 111.7 | V135 F155 V163 L176 T177 L182 H190 I192 V212 | V135-F167 HydrophobicContact CG2-CD1 4.28Å; V135-F167 HydrophobicContact CG2-CE1 4.26Å; F155-F167 HydrophobicContact CE1-CB 4.43Å; F155-F167 HydrophobicContact CZ-CB 4.15Å; V163-F167 HydrophobicContact CG1-CD2 4.41Å; V163-F167 PolarHBondContact O-N 2.9Å; F167-L176 HydrophobicContact CB-CD1 3.99Å; F167-L176 HydrophobicContact CB-CG 4.5Å; F167-L176 HydrophobicContact CD1-CD2 4.35Å; F167-L176 HydrophobicContact CD1-CG 4.41Å; F167-T177 CarbonylContact C-O 3.51Å; F167-T177 WeakPolarHBondContact CA-O 3.24Å; F167-L182 HydrophobicContact CE1-CD2 4.41Å; F167-L182 HydrophobicContact CE2-CD2 4.27Å; F167-L182 HydrophobicContact CZ-CD1 4.44Å; F167-L182 HydrophobicContact CZ-CD2 3.81Å; F167-H190 HydrophobicContact CE2-CB 4.04Å; F167-H190 AromaticContact CE2-CD2 3.94Å; F167-H190 AromaticContact CE2-CG 3.79Å; F167-H190 HydrophobicContact CZ-CB 4.23Å; F167-H190 AromaticContact CZ-CD2 3.78Å; F167-I192 HydrophobicContact CB-CD1 4.45Å; F167-I192 HydrophobicContact CD1-CD1 4.08Å; F167-I192 HydrophobicContact CD2-CD1 3.53Å; F167-I192 HydrophobicContact CD2-CG1 4.46Å; F167-I192 HydrophobicContact CE1-CD1 4.22Å; F167-I192 HydrophobicContact CE2-CD1 3.7Å; F167-I192 HydrophobicContact CG-CD1 3.74Å; F167-I192 HydrophobicContact CZ-CD1 4.04Å; F167-V212 HydrophobicContact CE1-CG1 4.26Å; F167-V212 HydrophobicContact CE1-CG2 4.39Å; F167-V212 HydrophobicContact CZ-CB 4.46Å; F167-V212 HydrophobicContact CZ-CG1 4.27Å; F167-V212 HydrophobicContact CZ-CG2 4.5Å |
| 168 | A | 98.3 | Very high | 96 | Very high | 35 Ų | 35 | 61.1 Ų | 61.1 | 29% | 0.289 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 144.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | L176 T177 K179 | A168-L176 CarbonylContact O-C 3.48Å; A168-L176 WeakPolarHBondContact O-CA 3.26Å; A168-T177 PolarHBondContact N-O 2.8Å; A168-T177 PolarHBondContact O-N 2.85Å; A168-K179 HydrophobicContact CB-CB 4.22Å; A168-K179 HydrophobicContact CB-CD 4.37Å |
| 169 | L | 98.6 | Very high | 96.4 | Very high | 28 Ų | 28 | 59.7 Ų | 59.7 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 124.3 | 176.8 | 178.8 | 65.1 | 0 | 0 | 0 | 107.9 | F155 M175 L176 I194 | F155-L169 HydrophobicContact CD2-CB 4.38Å; F155-L169 HydrophobicContact CE1-CB 4.16Å; F155-L169 HydrophobicContact CE2-CB 3.79Å; F155-L169 HydrophobicContact CZ-CB 3.66Å; L169-M175 WeakPolarHBondContact CA-O 3.47Å; L169-L176 HydrophobicContact CB-CD1 4.26Å; L169-L176 HydrophobicContact CD1-CB 4.4Å; L169-L176 HydrophobicContact CD1-CD1 4.31Å; L169-I194 HydrophobicContact CD1-CD1 3.99Å; L169-I194 HydrophobicContact CD2-CD1 4.22Å; L169-I194 HydrophobicContact CD2-CG1 4.21Å; L169-I194 HydrophobicContact CD2-CG2 3.73Å |
| 170 | D | 98.6 | Very high | 96.5 | Very high | 71 Ų | 71 | 59.1 Ų | 59.1 | 38% | 0.38 | 32% | 0.315 | S | S | . | . | trans | -74 | 125.4 | 172 | -175.5 | -90.3 | 0 | 0 | 0 | 110.1 | V172 T173 G174 M175 | D170-V172 VanDerWaalsContact C-N 3.28Å; D170-V172 PolarHBondContact O-N 2.71Å; D170-V172 PolarHBondContact OD1-N 2.97Å; D170-V172 VanDerWaalsContact OD1-N 3.14Å; D170-T173 VanDerWaalsContact CB-OG1 3.27Å; D170-T173 WeakPolarHBondContact CB-OG1 3.33Å; D170-T173 WeakPolarHBondContact OD1-CB 3.23Å; D170-T173 WeakPolarHBondContact OD1-CG2 3.33Å; D170-T173 PolarHBondContact OD1-N 3.28Å; D170-T173 PolarHBondContact OD1-OG1 2.71Å; D170-G174 WeakPolarHBondContact O-CA 3.25Å; D170-G174 PolarHBondContact O-N 3.38Å; D170-G174 VanDerWaalsContact O-N 3.1Å; D170-M175 HydrophobicContact CB-CB 4.1Å; D170-M175 PolarHBondContact N-O 3.02Å | ||
| 171 | L | 98.2 | Very high | 96.7 | Very high | 91 Ų | 91 | 60.9 Ų | 60.9 | 48% | 0.476 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -17.4 | -169.8 | 70.3 | 98.9 | 0 | 0 | 0 | 114.1 | I152 Y153 | I152-L171 HydrophobicContact CD1-CD1 3.73Å; I152-L171 HydrophobicContact CG2-CB 4.37Å; I152-L171 HydrophobicContact CG2-CD1 4.46Å; Y153-L171 WeakPolarHBondContact CD2-O 3.29Å; Y153-L171 PolarHBondContact N-O 3.15Å |
| 172 | V | 97.2 | Very high | 97.2 | Very high | 100 Ų | 100 | 56.2 Ų | 56.2 | 61% | 0.606 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105 | -44.9 | -177.6 | -178.2 | 0 | 0 | 0 | 0 | 110.9 | Y153 D170 | Y153-V172 WeakPolarHBondContact CE2-O 3.29Å; D170-V172 VanDerWaalsContact C-N 3.28Å; D170-V172 PolarHBondContact O-N 2.71Å; D170-V172 PolarHBondContact OD1-N 2.97Å; D170-V172 VanDerWaalsContact OD1-N 3.14Å |
| 173 | T | 98 | Very high | 97.4 | Very high | 63 Ų | 63 | 58.9 Ų | 58.9 | 39% | 0.387 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -15.5 | -173.5 | 64 | 0 | 0 | 0 | 0 | 113.5 | Q137 D170 M175 | Q137-T173 WeakPolarHBondContact CG-O 3.35Å; Q137-T173 PolarHBondContact NE2-O 2.8Å; D170-T173 VanDerWaalsContact CB-OG1 3.27Å; D170-T173 WeakPolarHBondContact CB-OG1 3.33Å; D170-T173 WeakPolarHBondContact OD1-CB 3.23Å; D170-T173 WeakPolarHBondContact OD1-CG2 3.33Å; D170-T173 PolarHBondContact OD1-N 3.28Å; D170-T173 PolarHBondContact OD1-OG1 2.71Å; T173-M175 PolarHBondContact O-N 2.78Å; T173-M175 WeakPolarHBondContact OG1-CB 3.37Å; T173-M175 PolarHBondContact OG1-N 2.86Å |
| 174 | G | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | 69.4 | 15.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V138 D170 L176 | V138-G174 WeakPolarHBondContact CG2-O 3.42Å; V138-G174 PolarHBondContact N-O 3.06Å; D170-G174 WeakPolarHBondContact O-CA 3.25Å; D170-G174 PolarHBondContact O-N 3.38Å; D170-G174 VanDerWaalsContact O-N 3.1Å; G174-L176 PolarHBondContact O-N 2.93Å | ||
| 175 | M | 98.8 | Very high | 97.6 | Very high | 22 Ų | 22 | 57.3 Ų | 57.3 | 11% | 0.108 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 117.1 | 177.9 | -175.1 | 60.5 | 54.8 | 0 | 0 | 110.9 | R134 Q137 L169 D170 T173 T177 | R134-M175 HydrophobicContact CB-SD 3.87Å; R134-M175 HydrophobicContact CG-CG 4.33Å; R134-M175 HydrophobicContact CG-SD 3.82Å; R134-M175 VanDerWaalsContact NE-CE 3.3Å; R134-M175 PolarHBondContact NE-SD 3.02Å; R134-M175 VanDerWaalsContact NE-SD 3.45Å; Q137-M175 HydrophobicContact CB-CE 3.6Å; Q137-M175 HydrophobicContact CB-SD 4.32Å; Q137-M175 HydrophobicContact CG-CE 3.82Å; L169-M175 WeakPolarHBondContact CA-O 3.47Å; D170-M175 HydrophobicContact CB-CB 4.1Å; D170-M175 PolarHBondContact N-O 3.02Å; T173-M175 PolarHBondContact O-N 2.78Å; T173-M175 WeakPolarHBondContact OG1-CB 3.37Å; T173-M175 PolarHBondContact OG1-N 2.86Å; M175-T177 HydrophobicContact CG-CG2 3.78Å |
| 176 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 126.9 | 169.7 | -169.5 | 76 | 0 | 0 | 0 | 109.5 | V135 V136 F155 F167 A168 L169 G174 I192 I194 V210 V212 | V135-L176 HydrophobicContact CB-CB 4.42Å; V135-L176 HydrophobicContact CB-CD2 4.23Å; V135-L176 HydrophobicContact CB-CG 4.38Å; V135-L176 WeakPolarHBondContact CB-O 3.38Å; V135-L176 HydrophobicContact CG1-CD2 4.14Å; V135-L176 PolarHBondContact N-O 3.01Å; V136-L176 HydrophobicContact CG1-CB 4.2Å; V136-L176 HydrophobicContact CG1-CD2 4.26Å; V136-L176 PolarHBondContact N-O 2.7Å; V136-L176 WeakPolarHBondContact O-CB 3.29Å; V136-L176 PolarHBondContact O-N 3.1Å; F155-L176 HydrophobicContact CE1-CD1 3.75Å; F155-L176 HydrophobicContact CZ-CD1 3.97Å; F167-L176 HydrophobicContact CB-CD1 3.99Å; F167-L176 HydrophobicContact CB-CG 4.5Å; F167-L176 HydrophobicContact CD1-CD2 4.35Å; F167-L176 HydrophobicContact CD1-CG 4.41Å; A168-L176 CarbonylContact O-C 3.48Å; A168-L176 WeakPolarHBondContact O-CA 3.26Å; L169-L176 HydrophobicContact CB-CD1 4.26Å; L169-L176 HydrophobicContact CD1-CB 4.4Å; L169-L176 HydrophobicContact CD1-CD1 4.31Å; G174-L176 PolarHBondContact O-N 2.93Å; L176-I192 HydrophobicContact CD2-CD1 3.77Å; L176-I194 HydrophobicContact CD1-CD1 4.49Å; L176-V210 HydrophobicContact CD2-CG1 4.06Å; L176-V212 HydrophobicContact CD2-CG2 4.36Å |
| 177 | T | 98.8 | Very high | 97.4 | Very high | 30 Ų | 30 | 56 Ų | 56 | 18% | 0.184 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 157 | 178.3 | 65.5 | 0 | 0 | 0 | 0 | 111.9 | T133 R134 F167 A168 M175 | T133-T177 CarbonylContact O-C 3.53Å; T133-T177 WeakPolarHBondContact O-CA 3.41Å; T133-T177 WeakPolarHBondContact O-CB 3.41Å; R134-T177 HydrophobicContact CG-CG2 4.39Å; F167-T177 CarbonylContact C-O 3.51Å; F167-T177 WeakPolarHBondContact CA-O 3.24Å; A168-T177 PolarHBondContact N-O 2.8Å; A168-T177 PolarHBondContact O-N 2.85Å; M175-T177 HydrophobicContact CG-CG2 3.78Å |
| 178 | I | 98.4 | Very high | 97.3 | Very high | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 137.9 | 169.9 | -59.4 | -176.3 | 0 | 0 | 0 | 109.2 | V125 A129 G132 T133 V135 G180 L182 | V125-I178 HydrophobicContact CB-CD1 4.2Å; V125-I178 HydrophobicContact CG1-CD1 4.34Å; A129-I178 HydrophobicContact CB-CD1 3.48Å; A129-I178 VanDerWaalsContact CB-CD1 3.48Å; G132-I178 PolarHBondContact N-O 2.97Å; T133-I178 HydrophobicContact CG2-CD1 4.31Å; T133-I178 PolarHBondContact O-N 3.02Å; V135-I178 HydrophobicContact CG2-CG1 3.72Å; I178-G180 WeakPolarHBondContact CG2-O 3.38Å; I178-L182 HydrophobicContact CD1-CD1 3.83Å; I178-L182 HydrophobicContact CG1-CD1 4.33Å |
| 179 | K | 98 | Very high | 97.3 | Very high | 114 Ų | 114 | 63.8 Ų | 63.8 | 50% | 0.496 | 32% | 0.319 | S | S | . | . | trans | -122.8 | -49.8 | 177.2 | 179.5 | -177.3 | 173.7 | -176.7 | 0 | 110.9 | S131 R164 L166 A168 | S131-K179 PolarHBondContact OG-O 2.88Å; R164-K179 PolarHBondContact O-NZ 2.79Å; L166-K179 WeakPolarHBondContact O-CA 3.25Å; L166-K179 PolarHBondContact O-N 2.8Å; A168-K179 HydrophobicContact CB-CB 4.22Å; A168-K179 HydrophobicContact CB-CD 4.37Å | ||
| 180 | G | 96.1 | Very high | 97.2 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 20% | 0.196 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -96.6 | -179.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q165 L166 I178 | Q165-G180 WeakPolarHBondContact O-CA 3.39Å; Q165-G180 PolarHBondContact O-N 2.85Å; Q165-G180 VanDerWaalsContact O-N 3.15Å; L166-G180 PolarHBondContact O-N 2.85Å; I178-G180 WeakPolarHBondContact CG2-O 3.38Å |
| 181 | R | 95.4 | Very high | 97.1 | Very high | 229 Ų | 229 | 63.8 Ų | 63.8 | 86% | 0.864 | 32% | 0.316 | S | S | * | . | trans | -79.7 | 135.8 | 172.2 | -65.8 | -176.7 | 176.5 | -138.3 | -2.3 | 109.5 | L166 | L166-R181 VanDerWaalsContact CD2-O 3.24Å; L166-R181 WeakPolarHBondContact CD2-O 3.5Å | ||
| 182 | L | 96.7 | Very high | 97.1 | Very high | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.052 | 29% | 0.293 | C | S | . | . | trans | -94.3 | 154.7 | 168.8 | -56.4 | 179.5 | 0 | 0 | 0 | 107.8 | V125 E127 L166 F167 I178 V214 | V125-L182 HydrophobicContact CB-CD1 4.42Å; V125-L182 HydrophobicContact CG2-CD1 3.44Å; V125-L182 VanDerWaalsContact CG2-CD1 3.44Å; E127-L182 HydrophobicContact CB-CB 4.49Å; L166-L182 HydrophobicContact CB-CD2 4.31Å; L166-L182 HydrophobicContact CD1-CD2 4.5Å; L166-L182 HydrophobicContact CD2-CD2 4.48Å; F167-L182 HydrophobicContact CE1-CD2 4.41Å; F167-L182 HydrophobicContact CE2-CD2 4.27Å; F167-L182 HydrophobicContact CZ-CD1 4.44Å; F167-L182 HydrophobicContact CZ-CD2 3.81Å; I178-L182 HydrophobicContact CD1-CD1 3.83Å; I178-L182 HydrophobicContact CG1-CD1 4.33Å; L182-V214 HydrophobicContact CB-CG1 4.43Å; L182-V214 HydrophobicContact CD1-CG2 4.41Å | ||
| 183 | D | 95.6 | Very high | 97.1 | Very high | 76 Ų | 76 | 58 Ų | 58 | 41% | 0.406 | 28% | 0.278 | S | S | . | . | trans | -146.8 | 116.1 | -177.3 | 176 | -17.4 | 0 | 0 | 0 | 106.3 | E185 D186 T187 | D183-E185 WeakPolarHBondContact OD1-CA 3.32Å; D183-E185 WeakPolarHBondContact OD1-CB 3.33Å; D183-E185 PolarHBondContact OD1-N 3.19Å; D183-D186 HydrophobicContact CB-CB 4.03Å; D183-D186 PolarHBondContact O-N 2.87Å; D183-D186 PolarHBondContact OD1-N 3.17Å; D183-D186 VanDerWaalsContact OD1-N 3.1Å; D183-T187 PolarHBondContact O-N 2.82Å | ||
| 184 | F | 97 | Very high | 97.2 | Very high | 33 Ų | 33 | 55 Ų | 55 | 15% | 0.145 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -35.7 | -177.5 | 179.2 | -95.9 | 0 | 0 | 0 | 111.7 | E127 D186 K188 V214 D216 | E127-F184 HydrophobicContact CB-CB 4.33Å; E127-F184 WeakPolarHBondContact OE2-CB 3.04Å; E127-F184 PolarHBondContact OE2-N 3Å; F184-D186 VanDerWaalsContact C-N 3.28Å; F184-D186 PolarHBondContact O-N 3.04Å; F184-K188 HydrophobicContact CD2-CB 4.42Å; F184-K188 HydrophobicContact CD2-CG 3.97Å; F184-K188 HydrophobicContact CE1-CD 4.13Å; F184-K188 HydrophobicContact CE1-CG 4.42Å; F184-K188 HydrophobicContact CE2-CB 4.18Å; F184-K188 HydrophobicContact CE2-CD 3.93Å; F184-K188 HydrophobicContact CE2-CG 3.77Å; F184-K188 HydrophobicContact CG-CG 4.39Å; F184-K188 HydrophobicContact CZ-CD 3.69Å; F184-K188 HydrophobicContact CZ-CG 4.01Å; F184-K188 WeakPolarHBondContact O-CE 3.13Å; F184-K188 WeakPolarHBondContact O-CG 3.32Å; F184-V214 HydrophobicContact CB-CG1 4.11Å; F184-V214 HydrophobicContact CD2-CB 4.36Å; F184-V214 HydrophobicContact CD2-CG1 4.28Å; F184-V214 VanDerWaalsContact CD2-O 3.32Å; F184-V214 WeakPolarHBondContact CD2-O 3.36Å; F184-V214 WeakPolarHBondContact CE2-O 3.18Å; F184-D216 HydrophobicContact CB-CB 4.44Å; F184-D216 HydrophobicContact CD1-CB 3.54Å; F184-D216 HydrophobicContact CD2-CB 3.88Å; F184-D216 HydrophobicContact CE1-CB 3.59Å; F184-D216 HydrophobicContact CE2-CB 3.92Å; F184-D216 HydrophobicContact CG-CB 3.69Å; F184-D216 HydrophobicContact CZ-CB 3.78Å |
| 185 | E | 96.9 | Very high | 97.1 | Very high | 94 Ų | 94 | 57.4 Ų | 57.4 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -33.2 | 175.3 | -78.7 | 58.2 | -124.9 | 0 | 0 | 111.7 | D183 N220 | D183-E185 WeakPolarHBondContact OD1-CA 3.32Å; D183-E185 WeakPolarHBondContact OD1-CB 3.33Å; D183-E185 PolarHBondContact OD1-N 3.19Å; E185-N220 PolarHBondContact OE2-ND2 2.84Å |
| 186 | D | 94.5 | Very high | 97.1 | Very high | 124 Ų | 124 | 56.4 Ų | 56.4 | 66% | 0.663 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -62 | 174.9 | -178.9 | 58.3 | 0 | 0 | 0 | 112.8 | D183 F184 | D183-D186 HydrophobicContact CB-CB 4.03Å; D183-D186 PolarHBondContact O-N 2.87Å; D183-D186 PolarHBondContact OD1-N 3.17Å; D183-D186 VanDerWaalsContact OD1-N 3.1Å; F184-D186 VanDerWaalsContact C-N 3.28Å; F184-D186 PolarHBondContact O-N 3.04Å |
| 187 | T | 95.3 | Very high | 97.1 | Very high | 35 Ų | 35 | 60.2 Ų | 60.2 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | trans | -137.5 | 104.9 | -172.3 | -57.9 | 0 | 0 | 0 | 0 | 113 | D183 L189 H190 V214 | D183-T187 PolarHBondContact O-N 2.82Å; T187-L189 PolarHBondContact O-N 3.19Å; T187-H190 WeakPolarHBondContact CG2-CE1 2.77Å; T187-V214 WeakPolarHBondContact O-CG2 3.47Å | ||
| 188 | K | 96.7 | Very high | 97 | Very high | 122 Ų | 122 | 59.1 Ų | 59.1 | 53% | 0.53 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -75.6 | -22.6 | -179.5 | -56.8 | -177 | -177.9 | -168.5 | 0 | 115 | F184 V214 | F184-K188 HydrophobicContact CD2-CB 4.42Å; F184-K188 HydrophobicContact CD2-CG 3.97Å; F184-K188 HydrophobicContact CE1-CD 4.13Å; F184-K188 HydrophobicContact CE1-CG 4.42Å; F184-K188 HydrophobicContact CE2-CB 4.18Å; F184-K188 HydrophobicContact CE2-CD 3.93Å; F184-K188 HydrophobicContact CE2-CG 3.77Å; F184-K188 HydrophobicContact CG-CG 4.39Å; F184-K188 HydrophobicContact CZ-CD 3.69Å; F184-K188 HydrophobicContact CZ-CG 4.01Å; F184-K188 WeakPolarHBondContact O-CE 3.13Å; F184-K188 WeakPolarHBondContact O-CG 3.32Å; K188-V214 PolarHBondContact O-N 2.84Å |
| 189 | L | 96.9 | Very high | 97 | Very high | 77 Ų | 77 | 64.1 Ų | 64.1 | 40% | 0.403 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 116.4 | -170.2 | -166.6 | 66.2 | 0 | 0 | 0 | 111.2 | T187 L211 V212 E213 | T187-L189 PolarHBondContact O-N 3.19Å; L189-L211 HydrophobicContact CD1-CD1 3.62Å; L189-L211 HydrophobicContact CD1-CD2 4.03Å; L189-L211 HydrophobicContact CD1-CG 3.59Å; L189-L211 HydrophobicContact CD2-CD1 3.85Å; L189-L211 HydrophobicContact CG-CD1 3.62Å; L189-L211 HydrophobicContact CG-CG 4.19Å; L189-V212 WeakPolarHBondContact CA-O 3.22Å; L189-E213 HydrophobicContact CD1-CB 4.3Å; L189-E213 HydrophobicContact CD1-CG 3.47Å; L189-E213 VanDerWaalsContact CD1-CG 3.47Å |
| 190 | H | 96.9 | Very high | 96.7 | Very high | 19 Ų | 19 | 59.1 Ų | 59.1 | 9% | 0.088 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 121.3 | 173.6 | -61 | -78.8 | 0 | 0 | 0 | 110.8 | F167 T187 I192 V212 | F167-H190 HydrophobicContact CE2-CB 4.04Å; F167-H190 AromaticContact CE2-CD2 3.94Å; F167-H190 AromaticContact CE2-CG 3.79Å; F167-H190 HydrophobicContact CZ-CB 4.23Å; F167-H190 AromaticContact CZ-CD2 3.78Å; T187-H190 WeakPolarHBondContact CG2-CE1 2.77Å; H190-I192 HydrophobicContact CB-CD1 4.44Å; H190-I192 HydrophobicContact CB-CG1 4.32Å; H190-V212 HydrophobicContact CB-CB 4.25Å; H190-V212 PolarHBondContact N-O 2.86Å; H190-V212 PolarHBondContact O-N 3.4Å |
| 191 | E | 97.1 | Very high | 96.4 | Very high | 79 Ų | 79 | 62.7 Ų | 62.7 | 37% | 0.369 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 116.7 | 165.4 | -63.9 | -164 | -174.4 | 0 | 0 | 109.7 | Y193 K209 L211 | E191-Y193 HydrophobicContact CB-CE2 4.48Å; E191-Y193 PolarHBondContact OE2-OH 3.07Å; E191-K209 IonicContact OE2-NZ 3.66Å; E191-K209 PolarHBondContact OE2-NZ 3.02Å; E191-L211 HydrophobicContact CG-CD1 3.71Å |
| 192 | I | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 118.5 | -177.7 | -56.6 | 169.5 | 0 | 0 | 0 | 108.5 | F155 N159 V163 F167 L176 H190 I194 V210 V212 | F155-I192 HydrophobicContact CD1-CG2 3.83Å; F155-I192 HydrophobicContact CE1-CG2 3.8Å; N159-I192 WeakPolarHBondContact OD1-CA 2.95Å; V163-I192 HydrophobicContact CG1-CG1 4.09Å; V163-I192 HydrophobicContact CG1-CG2 4.03Å; F167-I192 HydrophobicContact CB-CD1 4.45Å; F167-I192 HydrophobicContact CD1-CD1 4.08Å; F167-I192 HydrophobicContact CD2-CD1 3.53Å; F167-I192 HydrophobicContact CD2-CG1 4.46Å; F167-I192 HydrophobicContact CE1-CD1 4.22Å; F167-I192 HydrophobicContact CE2-CD1 3.7Å; F167-I192 HydrophobicContact CG-CD1 3.74Å; F167-I192 HydrophobicContact CZ-CD1 4.04Å; L176-I192 HydrophobicContact CD2-CD1 3.77Å; H190-I192 HydrophobicContact CB-CD1 4.44Å; H190-I192 HydrophobicContact CB-CG1 4.32Å; I192-I194 HydrophobicContact CG2-CG1 4.15Å; I192-V210 HydrophobicContact CB-CB 4.27Å; I192-V210 PolarHBondContact N-O 3.39Å; I192-V210 PolarHBondContact O-N 3.15Å; I192-V212 HydrophobicContact CD1-CG2 3.9Å |
| 193 | Y | 98 | Very high | 95.9 | Very high | 71 Ų | 71 | 60.3 Ų | 60.3 | 28% | 0.278 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 122.8 | 174.1 | -64.5 | -91.5 | 0 | 0 | 0 | 109.2 | G156 H158 N159 E191 K209 | G156-Y193 PolarHBondContact N-O 3Å; H158-Y193 HydrophobicContact CB-CD2 4.31Å; H158-Y193 HydrophobicContact CB-CG 4.44Å; N159-Y193 PolarHBondContact ND2-O 2.8Å; N159-Y193 PolarHBondContact OD1-N 2.8Å; E191-Y193 HydrophobicContact CB-CE2 4.48Å; E191-Y193 PolarHBondContact OE2-OH 3.07Å; Y193-K209 VanDerWaalsContact OH-CE 3.23Å; Y193-K209 WeakPolarHBondContact OH-CE 3.22Å; Y193-K209 PolarHBondContact OH-NZ 2.84Å |
| 194 | I | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 142 | 176.3 | -61.5 | 178.6 | 0 | 0 | 0 | 108.5 | F116 V138 Y153 L169 L176 I192 H207 C208 V210 | F116-I194 HydrophobicContact CZ-CG2 4.15Å; V138-I194 HydrophobicContact CG1-CD1 3.84Å; V138-I194 HydrophobicContact CG2-CD1 4.05Å; V138-I194 HydrophobicContact CG2-CG2 4.07Å; Y153-I194 HydrophobicContact CD1-CG2 4.44Å; L169-I194 HydrophobicContact CD1-CD1 3.99Å; L169-I194 HydrophobicContact CD2-CD1 4.22Å; L169-I194 HydrophobicContact CD2-CG1 4.21Å; L169-I194 HydrophobicContact CD2-CG2 3.73Å; L176-I194 HydrophobicContact CD1-CD1 4.49Å; I192-I194 HydrophobicContact CG2-CG1 4.15Å; I194-H207 VanDerWaalsContact O-CA 3.29Å; I194-H207 WeakPolarHBondContact O-CA 2.98Å; I194-C208 PolarHBondContact N-O 3.09Å; I194-C208 PolarHBondContact O-N 3.22Å; I194-V210 HydrophobicContact CD1-CG2 3.59Å; I194-V210 HydrophobicContact CG1-CG2 4.24Å |
| 195 | Q | 98.1 | Very high | 95.8 | Very high | 50 Ų | 50 | 60.9 Ų | 60.9 | 23% | 0.234 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.2 | 173.2 | -178.8 | 173.5 | 26.6 | 0 | 0 | 109.3 | Y153 S154 A206 | Y153-Q195 CarbonylContact C-O 3.52Å; Y153-Q195 WeakPolarHBondContact CA-O 3.32Å; S154-Q195 PolarHBondContact N-O 2.86Å; S154-Q195 PolarHBondContact O-N 2.77Å; Q195-A206 VanDerWaalsContact CA-O 3.29Å; Q195-A206 WeakPolarHBondContact CA-O 3.37Å |
| 196 | A | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 134.5 | 163 | 0 | 0 | 0 | 0 | 0 | 107.4 | P114 F116 A140 I151 Y153 G205 A206 | P114-A196 HydrophobicContact CB-CB 4.05Å; F116-A196 HydrophobicContact CE1-CB 4.14Å; F116-A196 HydrophobicContact CE2-CB 3.62Å; F116-A196 HydrophobicContact CZ-CB 3.41Å; F116-A196 VanDerWaalsContact CZ-CB 3.41Å; A140-A196 HydrophobicContact CB-CB 3.69Å; I151-A196 HydrophobicContact CG2-CB 3.72Å; Y153-A196 HydrophobicContact CD1-CB 4.12Å; Y153-A196 HydrophobicContact CE1-CB 4.07Å; A196-G205 CarbonylContact O-C 3.59Å; A196-G205 WeakPolarHBondContact O-CA 2.92Å; A196-A206 PolarHBondContact N-O 2.93Å; A196-A206 PolarHBondContact O-N 3.46Å |
| 197 | K | 97.9 | Very high | 95.9 | Very high | 81 Ų | 81 | 56.8 Ų | 56.8 | 35% | 0.352 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 135.8 | 179.6 | -161.5 | 177.2 | 177.8 | 167.3 | 0 | 109.3 | I152 P203 E204 | I152-K197 PolarHBondContact N-O 3.44Å; I152-K197 PolarHBondContact O-N 3.25Å; K197-P203 HydrophobicContact CD-CB 4.43Å; K197-P203 VanDerWaalsContact CE-CB 3.44Å; K197-P203 VanDerWaalsContact CE-CG 3.48Å; K197-P203 WeakPolarHBondContact CE-O 3.49Å; K197-P203 HydrophobicContact CG-CB 4.31Å; K197-P203 PolarHBondContact NZ-O 2.84Å; K197-E204 VanDerWaalsContact CA-O 3.31Å; K197-E204 WeakPolarHBondContact CA-O 3.37Å; K197-E204 WeakPolarHBondContact CG-O 2.89Å |
| 198 | D | 97.8 | Very high | 96 | Very high | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | trans | -71.3 | 178.6 | 172.9 | 69.6 | 51.1 | 0 | 0 | 0 | 111.6 | N110 P114 N148 E150 G200 P203 E204 | N110-D198 PolarHBondContact ND2-OD2 3.49Å; N110-D198 VanDerWaalsContact ND2-OD2 3.14Å; P114-D198 HydrophobicContact CG-CB 4.14Å; N148-D198 WeakPolarHBondContact O-CB 2.99Å; E150-D198 CarbonylContact O-C 3.59Å; E150-D198 WeakPolarHBondContact O-CA 3.47Å; D198-G200 PolarHBondContact OD1-N 2.85Å; D198-P203 WeakPolarHBondContact O-CB 3.22Å; D198-P203 WeakPolarHBondContact OD1-CA 3.48Å; D198-P203 WeakPolarHBondContact OD1-CB 3.18Å; D198-E204 PolarHBondContact N-O 3.3Å; D198-E204 PolarHBondContact OD1-N 2.98Å; D198-E204 WeakPolarHBondContact OD2-CA 3.4Å; D198-E204 WeakPolarHBondContact OD2-CB 3.5Å; D198-E204 PolarHBondContact OD2-N 2.92Å | ||
| 199 | K | 96.5 | Very high | 96.1 | Very high | 106 Ų | 106 | 52.3 Ų | 52.3 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | trans | -113.7 | 20 | 177.3 | -65.7 | 168.1 | 69.3 | -164.3 | 0 | 112.4 | P147 E150 I152 | P147-K199 HydrophobicContact CB-CB 4.4Å; P147-K199 CarbonylContact O-C 3.48Å; P147-K199 VanDerWaalsContact O-CA 3.3Å; P147-K199 WeakPolarHBondContact O-CA 3.38Å; P147-K199 WeakPolarHBondContact O-CB 3.3Å; P147-K199 PolarHBondContact O-N 2.7Å; E150-K199 HydrophobicContact CB-CB 4.46Å; E150-K199 HydrophobicContact CB-CD 3.85Å; E150-K199 HydrophobicContact CB-CG 4.45Å; E150-K199 WeakPolarHBondContact O-CG 3.42Å; E150-K199 PolarHBondContact O-N 2.84Å; E150-K199 IonicContact OE2-NZ 3.97Å; E150-K199 PolarHBondContact OE2-NZ 3.16Å; I152-K199 HydrophobicContact CD1-CD 4.1Å; I152-K199 HydrophobicContact CG1-CD 3.77Å; I152-K199 HydrophobicContact CG1-CG 3.84Å | ||
| 200 | G | 93.4 | Very high | 96.2 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 9% | 0.093 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -64.7 | 171.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | P147 N148 D198 N202 P203 | P147-G200 PolarHBondContact O-N 3.41Å; N148-G200 VanDerWaalsContact OD1-CA 3.3Å; N148-G200 WeakPolarHBondContact OD1-CA 3.42Å; D198-G200 PolarHBondContact OD1-N 2.85Å; G200-N202 VanDerWaalsContact C-N 3.3Å; G200-N202 PolarHBondContact O-N 2.99Å; G200-P203 VanDerWaalsContact O-CD 3.28Å; G200-P203 WeakPolarHBondContact O-CD 3.32Å |
| 201 | A | 88 | Confident | 96.3 | Very high | 94 Ų | 94 | 48.4 Ų | 48.4 | 78% | 0.777 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -66.4 | -32.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | P203 | A201-P203 VanDerWaalsContact C-CD 3.48Å; A201-P203 WeakPolarHBondContact O-CD 3.44Å |
| 202 | N | 90.8 | Very high | 96.3 | Very high | 140 Ų | 140 | 44.7 Ų | 44.7 | 75% | 0.749 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -120.1 | 74.8 | 172.4 | -66.3 | -48.3 | 0 | 0 | 0 | 108.8 | G200 E204 | G200-N202 VanDerWaalsContact C-N 3.3Å; G200-N202 PolarHBondContact O-N 2.99Å; N202-E204 PolarHBondContact O-N 3.46Å |
| 203 | P | 92.4 | Very high | 96.3 | Very high | 49 Ų | 49 | 46.9 Ų | 46.9 | 32% | 0.318 | 25% | 0.254 | S | S | . | . | trans | -74.1 | 130.1 | -158.5 | 23.6 | -29.5 | 0 | 0 | 0 | 112.5 | K197 D198 G200 A201 | K197-P203 HydrophobicContact CD-CB 4.43Å; K197-P203 VanDerWaalsContact CE-CB 3.44Å; K197-P203 VanDerWaalsContact CE-CG 3.48Å; K197-P203 WeakPolarHBondContact CE-O 3.49Å; K197-P203 HydrophobicContact CG-CB 4.31Å; K197-P203 PolarHBondContact NZ-O 2.84Å; D198-P203 WeakPolarHBondContact O-CB 3.22Å; D198-P203 WeakPolarHBondContact OD1-CA 3.48Å; D198-P203 WeakPolarHBondContact OD1-CB 3.18Å; G200-P203 VanDerWaalsContact O-CD 3.28Å; G200-P203 WeakPolarHBondContact O-CD 3.32Å; A201-P203 VanDerWaalsContact C-CD 3.48Å; A201-P203 WeakPolarHBondContact O-CD 3.44Å | ||
| 204 | E | 93.8 | Very high | 96.3 | Very high | 86 Ų | 86 | 43.9 Ų | 43.9 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | trans | -92.2 | 161.5 | 179.8 | -60.7 | -150.9 | 175.7 | 0 | 0 | 110.9 | A113 K197 D198 N202 | A113-E204 HydrophobicContact CB-CB 3.98Å; A113-E204 WeakPolarHBondContact CB-OE2 3.28Å; K197-E204 VanDerWaalsContact CA-O 3.31Å; K197-E204 WeakPolarHBondContact CA-O 3.37Å; K197-E204 WeakPolarHBondContact CG-O 2.89Å; D198-E204 PolarHBondContact N-O 3.3Å; D198-E204 PolarHBondContact OD1-N 2.98Å; D198-E204 WeakPolarHBondContact OD2-CA 3.4Å; D198-E204 WeakPolarHBondContact OD2-CB 3.5Å; D198-E204 PolarHBondContact OD2-N 2.92Å; N202-E204 PolarHBondContact O-N 3.46Å | ||
| 205 | G | 95.3 | Very high | 96.3 | Very high | 36 Ų | 36 | 46.6 Ų | 46.6 | 37% | 0.371 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 156.5 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | A196 | A196-G205 CarbonylContact O-C 3.59Å; A196-G205 WeakPolarHBondContact O-CA 2.92Å |
| 206 | A | 97.3 | Very high | 96.3 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 19% | 0.19 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 169.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | P114 F116 Q195 A196 | P114-A206 WeakPolarHBondContact O-CB 3.14Å; F116-A206 HydrophobicContact CD2-CB 4.14Å; F116-A206 HydrophobicContact CE2-CB 4.31Å; Q195-A206 VanDerWaalsContact CA-O 3.29Å; Q195-A206 WeakPolarHBondContact CA-O 3.37Å; A196-A206 PolarHBondContact N-O 2.93Å; A196-A206 PolarHBondContact O-N 3.46Å |
| 207 | H | 97.3 | Very high | 96.3 | Very high | 108 Ų | 108 | 50.3 Ų | 50.3 | 50% | 0.5 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 143.9 | -177.2 | -60.1 | -73.6 | 0 | 0 | 0 | 111.5 | I194 | I194-H207 VanDerWaalsContact O-CA 3.29Å; I194-H207 WeakPolarHBondContact O-CA 2.98Å |
| 208 | C | 98 | Very high | 96.2 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.034 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 162.1 | 166.7 | 75.6 | 0 | 0 | 0 | 0 | 110.8 | F116 Y121 I194 | F116-C208 HydrophobicContact CB-CB 4.18Å; F116-C208 HydrophobicContact CD1-CB 4.01Å; F116-C208 HydrophobicContact CD2-CB 3.75Å; F116-C208 HydrophobicContact CE1-CB 4.31Å; F116-C208 VanDerWaalsContact CE1-SG 3.59Å; F116-C208 HydrophobicContact CE2-CB 4.06Å; F116-C208 HydrophobicContact CG-CB 3.72Å; F116-C208 HydrophobicContact CZ-CB 4.33Å; Y121-C208 HydrophobicContact CD2-CB 4.31Å; Y121-C208 HydrophobicContact CE2-CB 3.9Å; I194-C208 PolarHBondContact N-O 3.09Å; I194-C208 PolarHBondContact O-N 3.22Å |
| 209 | K | 98.3 | Very high | 96 | Very high | 59 Ų | 59 | 58.3 Ų | 58.3 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 135.4 | 173.2 | -174.3 | 179.7 | -64.7 | -153.7 | 0 | 109.9 | S119 L120 Y121 E191 Y193 | S119-K209 PolarHBondContact O-N 2.97Å; L120-K209 CarbonylContact C-O 3.53Å; L120-K209 VanDerWaalsContact CA-O 3.31Å; L120-K209 WeakPolarHBondContact CA-O 3.43Å; L120-K209 HydrophobicContact CD1-CB 3.94Å; L120-K209 HydrophobicContact CD1-CD 3.99Å; L120-K209 HydrophobicContact CD1-CG 3.9Å; Y121-K209 PolarHBondContact N-O 2.91Å; E191-K209 IonicContact OE2-NZ 3.66Å; E191-K209 PolarHBondContact OE2-NZ 3.02Å; Y193-K209 VanDerWaalsContact OH-CE 3.23Å; Y193-K209 WeakPolarHBondContact OH-CE 3.22Å; Y193-K209 PolarHBondContact OH-NZ 2.84Å |
| 210 | V | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 126.3 | 167.2 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | Y121 V136 V138 L176 I192 I194 V212 | Y121-V210 HydrophobicContact CD2-CG2 4.39Å; Y121-V210 WeakPolarHBondContact O-CA 3.37Å; V136-V210 HydrophobicContact CG1-CG1 3.56Å; V136-V210 HydrophobicContact CG1-CG2 4.29Å; V138-V210 HydrophobicContact CG1-CG2 3.77Å; L176-V210 HydrophobicContact CD2-CG1 4.06Å; I192-V210 HydrophobicContact CB-CB 4.27Å; I192-V210 PolarHBondContact N-O 3.39Å; I192-V210 PolarHBondContact O-N 3.15Å; I194-V210 HydrophobicContact CD1-CG2 3.59Å; I194-V210 HydrophobicContact CG1-CG2 4.24Å; V210-V212 HydrophobicContact CG1-CG2 3.91Å |
| 211 | L | 98.3 | Very high | 95.8 | Very high | 14 Ų | 14 | 61.8 Ų | 61.8 | 7% | 0.073 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 112.8 | 175.3 | -167.8 | 71.2 | 0 | 0 | 0 | 109.2 | L120 Y121 R122 A123 L189 E191 | L120-L211 HydrophobicContact CD1-CB 4.24Å; Y121-L211 PolarHBondContact O-N 3.17Å; R122-L211 WeakPolarHBondContact CA-O 3.13Å; R122-L211 HydrophobicContact CG-CB 4.38Å; R122-L211 VanDerWaalsContact NH1-CD2 3.32Å; A123-L211 PolarHBondContact N-O 3.31Å; L189-L211 HydrophobicContact CD1-CD1 3.62Å; L189-L211 HydrophobicContact CD1-CD2 4.03Å; L189-L211 HydrophobicContact CD1-CG 3.59Å; L189-L211 HydrophobicContact CD2-CD1 3.85Å; L189-L211 HydrophobicContact CG-CD1 3.62Å; L189-L211 HydrophobicContact CG-CG 4.19Å; E191-L211 HydrophobicContact CG-CD1 3.71Å |
| 212 | V | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 109.5 | 179.5 | -174 | 0 | 0 | 0 | 0 | 108.7 | A123 V125 V135 F167 L176 L189 H190 I192 V210 | A123-V212 WeakPolarHBondContact O-CA 3.31Å; V125-V212 HydrophobicContact CG1-CG1 4.28Å; V125-V212 HydrophobicContact CG2-CG1 3.49Å; V125-V212 VanDerWaalsContact CG2-CG1 3.49Å; V135-V212 HydrophobicContact CG1-CG1 4.02Å; V135-V212 HydrophobicContact CG1-CG2 3.76Å; F167-V212 HydrophobicContact CE1-CG1 4.26Å; F167-V212 HydrophobicContact CE1-CG2 4.39Å; F167-V212 HydrophobicContact CZ-CB 4.46Å; F167-V212 HydrophobicContact CZ-CG1 4.27Å; F167-V212 HydrophobicContact CZ-CG2 4.5Å; L176-V212 HydrophobicContact CD2-CG2 4.36Å; L189-V212 WeakPolarHBondContact CA-O 3.22Å; H190-V212 HydrophobicContact CB-CB 4.25Å; H190-V212 PolarHBondContact N-O 2.86Å; H190-V212 PolarHBondContact O-N 3.4Å; I192-V212 HydrophobicContact CD1-CG2 3.9Å; V210-V212 HydrophobicContact CG1-CG2 3.91Å |
| 213 | E | 98.4 | Very high | 96.1 | Very high | 46 Ų | 46 | 65 Ų | 65 | 22% | 0.215 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 118.1 | 172.9 | -75.2 | 169.1 | -159.1 | 0 | 0 | 108.7 | R122 A123 R124 V125 L189 | R122-E213 IonicContact NH1-OE1 2.76Å; A123-E213 PolarHBondContact O-N 3.16Å; R124-E213 VanDerWaalsContact CA-O 3.31Å; R124-E213 WeakPolarHBondContact CA-O 3.38Å; R124-E213 HydrophobicContact CG-CB 3.92Å; R124-E213 IonicContact CZ-OE2 3.21Å; R124-E213 IonicContact NE-OE2 3.1Å; R124-E213 PolarHBondContact NE-OE2 3.44Å; R124-E213 IonicContact NH2-OE2 2.83Å; R124-E213 PolarHBondContact NH2-OE2 2.76Å; V125-E213 PolarHBondContact N-O 3.09Å; L189-E213 HydrophobicContact CD1-CB 4.3Å; L189-E213 HydrophobicContact CD1-CG 3.47Å; L189-E213 VanDerWaalsContact CD1-CG 3.47Å |
| 214 | V | 98.1 | Very high | 95.8 | Very high | 8 Ų | 8 | 70.2 Ų | 70.2 | 5% | 0.048 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 133.5 | 173.4 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | V125 E127 L182 F184 T187 K188 | V125-V214 CarbonylContact O-C 3.56Å; V125-V214 WeakPolarHBondContact O-CA 3.43Å; E127-V214 HydrophobicContact CB-CG1 3.64Å; L182-V214 HydrophobicContact CB-CG1 4.43Å; L182-V214 HydrophobicContact CD1-CG2 4.41Å; F184-V214 HydrophobicContact CB-CG1 4.11Å; F184-V214 HydrophobicContact CD2-CB 4.36Å; F184-V214 HydrophobicContact CD2-CG1 4.28Å; F184-V214 VanDerWaalsContact CD2-O 3.32Å; F184-V214 WeakPolarHBondContact CD2-O 3.36Å; F184-V214 WeakPolarHBondContact CE2-O 3.18Å; T187-V214 WeakPolarHBondContact O-CG2 3.47Å; K188-V214 PolarHBondContact O-N 2.84Å |
| 215 | V | 98.3 | Very high | 95.5 | Very high | 58 Ų | 58 | 70.8 Ų | 70.8 | 35% | 0.352 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 121.9 | -180 | -179.9 | 0 | 0 | 0 | 0 | 108.5 | R124 V125 L126 E127 | R124-V215 HydrophobicContact CB-CG2 4.19Å; V125-V215 PolarHBondContact O-N 3.47Å; L126-V215 HydrophobicContact CD2-CB 4.01Å; L126-V215 HydrophobicContact CD2-CG1 3.85Å; E127-V215 PolarHBondContact N-O 2.94Å; E127-V215 VanDerWaalsContact N-O 3.16Å |
| 216 | D | 97.7 | Very high | 94.8 | Very high | 87 Ų | 87 | 74.2 Ų | 74.2 | 47% | 0.465 | 42% | 0.416 | S | S | . | . | trans | -55.3 | 135.5 | 176.3 | -174 | 2.8 | 0 | 0 | 0 | 112.5 | E127 F184 | E127-D216 WeakPolarHBondContact OE1-CA 3.47Å; F184-D216 HydrophobicContact CB-CB 4.44Å; F184-D216 HydrophobicContact CD1-CB 3.54Å; F184-D216 HydrophobicContact CD2-CB 3.88Å; F184-D216 HydrophobicContact CE1-CB 3.59Å; F184-D216 HydrophobicContact CE2-CB 3.92Å; F184-D216 HydrophobicContact CG-CB 3.69Å; F184-D216 HydrophobicContact CZ-CB 3.78Å | ||
| 217 | V | 97.6 | Very high | 94 | Very high | 41 Ų | 41 | 79.4 Ų | 79.4 | 25% | 0.248 | 45% | 0.446 | C | S | . | . | trans | -125.3 | 131.1 | 172 | 177 | 0 | 0 | 0 | 0 | 106.9 | L126 E127 D219 | L126-V217 HydrophobicContact CB-CG2 4.32Å; L126-V217 HydrophobicContact CD2-CG2 3.96Å; E127-V217 HydrophobicContact CG-CB 4.09Å; E127-V217 HydrophobicContact CG-CG2 4.14Å; E127-V217 WeakPolarHBondContact OE1-CA 3.31Å; E127-V217 PolarHBondContact OE1-N 3.44Å; V217-D219 VanDerWaalsContact C-N 3.31Å; V217-D219 PolarHBondContact O-N 3.27Å | ||
| 218 | N | 96.1 | Very high | 92.9 | Very high | 153 Ų | 153 | 78.5 Ų | 78.5 | 82% | 0.818 | 45% | 0.452 | S | S | * | . | trans | -68.3 | 84.2 | -179.9 | 179 | 64.4 | 0 | 0 | 0 | 112.5 | ||||
| 219 | D | 93.4 | Very high | 91.7 | Very high | 102 Ų | 102 | 83.7 Ų | 83.7 | 55% | 0.545 | 48% | 0.483 | S | S | . | . | trans | -113.2 | -9.6 | -178.7 | 73.6 | -19 | 0 | 0 | 0 | 113.2 | V217 | V217-D219 VanDerWaalsContact C-N 3.31Å; V217-D219 PolarHBondContact O-N 3.27Å | ||
| 220 | N | 93.1 | Very high | 90.2 | Very high | 96 Ų | 96 | 90.8 Ų | 90.8 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | trans | -99.8 | 115.7 | 176.5 | -76.1 | -76.9 | 0 | 0 | 0 | 111.5 | E185 | E185-N220 PolarHBondContact OE2-ND2 2.84Š| ||
| 221 | A | 93.4 | Very high | 89 | Confident | 93 Ų | 93 | 95.5 Ų | 95.5 | 77% | 0.769 | 54% | 0.542 | S | S | * | . | P | Polyproline II helix | trans | -78.3 | 147.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E223 | A221-E223 PolarHBondContact O-N 3.03Š|
| 222 | P | 92.9 | Very high | 87.9 | Confident | 130 Ų | 130 | 100.2 Ų | 100.2 | 84% | 0.844 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 134.1 | 178 | 27.2 | -34.2 | 0 | 0 | 0 | 111.7 | ||
| 223 | E | 91.6 | Very high | 87 | Confident | 172 Ų | 172 | 104.5 Ų | 104.5 | 80% | 0.804 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 134.6 | 176.3 | -169.5 | 175.9 | -176.1 | 0 | 0 | 111.4 | A221 T225 | A221-E223 PolarHBondContact O-N 3.03Å; E223-T225 HydrophobicContact CG-CG2 4.41Å |
| 224 | I | 87.3 | Confident | 86.3 | Confident | 157 Ų | 157 | 106 Ų | 106 | 81% | 0.805 | 61% | 0.613 | S | S | * | * | trans | -102.2 | 111.2 | 174.4 | -58.3 | 175.5 | 0 | 0 | 0 | 108.6 | ||||
| 225 | T | 85.7 | Confident | 85.8 | Confident | 99 Ų | 99 | 115.4 Ų | 115.4 | 61% | 0.607 | 66% | 0.657 | S | S | * | * | trans | -102.4 | 116.7 | 172.4 | 53.6 | 0 | 0 | 0 | 0 | 110.7 | E223 T227 | E223-T225 HydrophobicContact CG-CG2 4.41Å; T225-T227 PolarHBondContact O-N 3.18Å | ||
| 226 | V | 82.1 | Confident | 85.3 | Confident | 108 Ų | 108 | 119 Ų | 119 | 66% | 0.655 | 67% | 0.674 | S | S | * | * | trans | -83.9 | 105.6 | 174.4 | -174.6 | 0 | 0 | 0 | 0 | 108.9 | V229 | V226-V229 HydrophobicContact CG1-CG2 3.44Å; V226-V229 VanDerWaalsContact CG1-CG2 3.44Å | ||
| 227 | T | 80.5 | Confident | 84.8 | Confident | 131 Ų | 131 | 116.7 Ų | 116.7 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | trans | -82.9 | -16.8 | -174.1 | 49.3 | 0 | 0 | 0 | 0 | 114.2 | T225 | T225-T227 PolarHBondContact O-N 3.18Š| ||
| 228 | S | 73.8 | Confident | 84.3 | Confident | 90 Ų | 90 | 119.5 Ų | 119.5 | 63% | 0.629 | 69% | 0.686 | S | S | * | * | trans | -156.3 | 131.5 | 176.3 | 53.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 229 | V | 72.9 | Confident | 83.7 | Confident | 114 Ų | 114 | 121.1 Ų | 121.1 | 69% | 0.691 | 69% | 0.694 | S | S | * | * | trans | -123.1 | 115.8 | 167 | -173.4 | 0 | 0 | 0 | 0 | 106.6 | V226 | V226-V229 HydrophobicContact CG1-CG2 3.44Å; V226-V229 VanDerWaalsContact CG1-CG2 3.44Å | ||
| 230 | Y | 67.3 | Low | 83.2 | Confident | 208 Ų | 208 | 119.7 Ų | 119.7 | 82% | 0.816 | 70% | 0.703 | S | S | * | * | trans | -89.7 | 107.5 | 164.6 | -126.2 | -92.3 | 0 | 0 | 0 | 107.3 | ||||
| 231 | S | 71.9 | Confident | 82.5 | Confident | 98 Ų | 98 | 119 Ų | 119 | 69% | 0.685 | 70% | 0.702 | S | S | * | * | trans | -139 | 130.3 | 178.3 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 232 | P | 76.3 | Confident | 81.2 | Confident | 113 Ų | 113 | 124 Ų | 124 | 73% | 0.734 | 72% | 0.723 | S | S | * | * | S | Bend | cis | -81.5 | 152.5 | 0.3 | 30.8 | -31.9 | 0 | 0 | 0 | 113.6 | ||
| 233 | V | 78.6 | Confident | 80.6 | Confident | 91 Ų | 91 | 123.8 Ų | 123.8 | 55% | 0.552 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 126.5 | 170.7 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | A237 | V233-A237 HydrophobicContact CG1-CB 3.69Š|
| 234 | P | 84.9 | Confident | 80.1 | Confident | 76 Ų | 76 | 121.2 Ų | 121.2 | 49% | 0.494 | 71% | 0.713 | S | S | . | * | P | Polyproline II helix | trans | -59 | 147.4 | 176.8 | -25.2 | 35.2 | 0 | 0 | 0 | 113.2 | D236 A237 | P234-D236 VanDerWaalsContact CB-OD1 3.23Å; P234-D236 WeakPolarHBondContact CB-OD1 3.24Å; P234-D236 PolarHBondContact O-N 2.93Å; P234-A237 VanDerWaalsContact O-CB 3.29Å; P234-A237 WeakPolarHBondContact O-CB 3.17Å; P234-A237 PolarHBondContact O-N 3.29Å |
| 235 | E | 85.8 | Confident | 79.7 | Confident | 206 Ų | 206 | 119.2 Ų | 119.2 | 96% | 0.963 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -17.2 | -177.9 | 63.8 | -175.3 | 179.2 | 0 | 0 | 114.3 | ||
| 236 | D | 88.9 | Confident | 79.3 | Confident | 134 Ų | 134 | 120.4 Ų | 120.4 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 12 | 177.6 | 66 | -22.8 | 0 | 0 | 0 | 113.4 | P234 | P234-D236 VanDerWaalsContact CB-OD1 3.23Å; P234-D236 WeakPolarHBondContact CB-OD1 3.24Å; P234-D236 PolarHBondContact O-N 2.93Å |
| 237 | A | 85.8 | Confident | 79.1 | Confident | 39 Ų | 39 | 121.2 Ų | 121.2 | 32% | 0.322 | 72% | 0.717 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 128.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V233 P234 T241 | V233-A237 HydrophobicContact CG1-CB 3.69Å; P234-A237 VanDerWaalsContact O-CB 3.29Å; P234-A237 WeakPolarHBondContact O-CB 3.17Å; P234-A237 PolarHBondContact O-N 3.29Å; A237-T241 HydrophobicContact CB-CG2 4.5Å |
| 238 | P | 87.4 | Confident | 79.1 | Confident | 99 Ų | 99 | 120.5 Ų | 120.5 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 157.9 | -179.7 | 27.7 | -34.1 | 0 | 0 | 0 | 112 | G240 T241 | P238-G240 PolarHBondContact O-N 2.58Å; P238-T241 PolarHBondContact O-N 3Å; P238-T241 PolarHBondContact O-OG1 3.38Å |
| 239 | L | 84.3 | Confident | 79.4 | Confident | 188 Ų | 188 | 122.7 Ų | 122.7 | 98% | 0.984 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 125.5 | 174.6 | -66.7 | 172.8 | 0 | 0 | 0 | 110.5 | ||
| 240 | G | 83.3 | Confident | 79.9 | Confident | 71 Ų | 71 | 123.4 Ų | 123.4 | 73% | 0.732 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 97.7 | 9.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | P238 V242 | P238-G240 PolarHBondContact O-N 2.58Å; G240-V242 PolarHBondContact O-N 3.27Å |
| 241 | T | 78.6 | Confident | 81 | Confident | 82 Ų | 82 | 116.3 Ų | 116.3 | 50% | 0.503 | 71% | 0.711 | S | S | . | * | trans | -58.7 | 121.7 | 167.1 | -56.1 | 0 | 0 | 0 | 0 | 110.2 | A237 P238 | A237-T241 HydrophobicContact CB-CG2 4.5Å; P238-T241 PolarHBondContact O-N 3Å; P238-T241 PolarHBondContact O-OG1 3.38Å | ||
| 242 | V | 66 | Low | 81.8 | Confident | 199 Ų | 199 | 118 Ų | 118 | 100% | 1.206 | 71% | 0.714 | S | S | * | * | trans | -111.1 | 0 | 179.8 | -83 | 0 | 0 | 0 | 0 | 111.4 | G240 | G240-V242 PolarHBondContact O-N 3.27Š|
Retrieved 242 of 242 residues in 47.4 ms
(Link to these results)