| 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 | 65.8 | Low | 93.3 | Very high | 164 Ų | 164 | 81.5 Ų | 81.5 | 81% | 0.808 | 46% | 0.46 | S | S | * | . | 0 | 130.5 | 0 | -76.6 | -175.1 | -106.4 | 0 | 0 | 107.7 | T3 F147 G148 | M1-T3 PolarHBondContact O-N 2.84Å; M1-F147 HydrophobicContact SD-CD2 4.03Å; M1-F147 HydrophobicContact SD-CE1 4.28Å; M1-F147 HydrophobicContact SD-CE2 3.63Å; M1-F147 HydrophobicContact SD-CZ 3.77Å; M1-G148 VanDerWaalsContact SD-CA 3.54Å; M1-G148 PolarHBondContact SD-N 2.78Å | |||
| 2 | T | 86.6 | Confident | 93.7 | Very high | 54 Ų | 54 | 78.3 Ų | 78.3 | 33% | 0.331 | 46% | 0.458 | S | S | . | . | trans | -92 | 95.9 | -178.8 | 46.3 | 0 | 0 | 0 | 0 | 108.8 | G141 T142 D143 | T2-G141 CarbonylContact O-C 3.4Å; T2-G141 WeakPolarHBondContact O-CA 3.05Å; T2-T142 PolarHBondContact O-N 2.95Å; T2-T142 PolarHBondContact O-OG1 3.07Å; T2-D143 WeakPolarHBondContact CB-OD2 3.36Å; T2-D143 HydrophobicContact CG2-CB 4.06Å; T2-D143 WeakPolarHBondContact CG2-OD2 3.31Å; T2-D143 PolarHBondContact OG1-N 3.02Å; T2-D143 PolarHBondContact OG1-OD1 2.99Å; T2-D143 PolarHBondContact OG1-OD2 2.82Å | ||
| 3 | T | 91.8 | Very high | 94.1 | Very high | 37 Ų | 37 | 79.9 Ų | 79.9 | 23% | 0.227 | 46% | 0.462 | C | S | . | . | trans | -95.6 | 161.4 | 167.2 | 49 | 0 | 0 | 0 | 0 | 110.2 | M1 H8 F147 G233 V234 | M1-T3 PolarHBondContact O-N 2.84Å; T3-H8 PolarHBondContact OG1-CE1 3.4Å; T3-H8 PolarHBondContact OG1-NE2 2.67Å; T3-F147 HydrophobicContact CG2-CE2 4.12Å; T3-G233 CarbonylContact C-O 3.59Å; T3-G233 VanDerWaalsContact CA-O 3.3Å; T3-G233 WeakPolarHBondContact CA-O 3.45Å; T3-V234 HydrophobicContact CG2-CG1 4.24Å | ||
| 4 | S | 97.3 | Very high | 94.4 | Very high | 28 Ų | 28 | 80.7 Ų | 80.7 | 20% | 0.196 | 46% | 0.457 | C | S | . | . | trans | -65.6 | 147.8 | -178.2 | 82.7 | 0 | 0 | 0 | 0 | 112.4 | S6 S7 H8 G233 | S4-S6 PolarHBondContact O-N 3.14Å; S4-S7 WeakPolarHBondContact O-CB 3.35Å; S4-S7 PolarHBondContact O-N 3.36Å; S4-S7 PolarHBondContact O-OG 2.69Å; S4-S7 PolarHBondContact OG-N 3.38Å; S4-H8 PolarHBondContact O-CD2 3.07Å; S4-G233 PolarHBondContact N-O 3.44Å; S4-G233 VanDerWaalsContact OG-CA 3.28Å; S4-G233 WeakPolarHBondContact OG-CA 3.46Å | ||
| 5 | A | 97.7 | Very high | 94.6 | Very high | 84 Ų | 84 | 82.5 Ų | 82.5 | 69% | 0.694 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -54.9 | -39.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | S7 H8 | A5-S7 PolarHBondContact O-N 2.63Å; A5-H8 WeakPolarHBondContact O-CB 3.43Å; A5-H8 PolarHBondContact O-N 3.49Å; A5-H8 VanDerWaalsContact O-N 3.08Å |
| 6 | S | 97.6 | Very high | 94.9 | Very high | 72 Ų | 72 | 83.1 Ų | 83.1 | 50% | 0.503 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -64.8 | -23.5 | 178.7 | -54.9 | 0 | 0 | 0 | 0 | 113.8 | S4 H8 L9 K11 | S4-S6 PolarHBondContact O-N 3.14Å; S6-H8 VanDerWaalsContact C-N 3.26Å; S6-H8 PolarHBondContact O-N 2.96Å; S6-L9 PolarHBondContact O-N 2.72Å; S6-K11 PolarHBondContact O-NZ 3.16Å |
| 7 | S | 97.6 | Very high | 95.1 | Very high | 21 Ų | 21 | 87.6 Ų | 87.6 | 15% | 0.147 | 48% | 0.476 | C | S | . | . | G | 310 helix | trans | -70.6 | -24.3 | 174.6 | 75.4 | 0 | 0 | 0 | 0 | 112.8 | S4 A5 K11 | S4-S7 WeakPolarHBondContact O-CB 3.35Å; S4-S7 PolarHBondContact O-N 3.36Å; S4-S7 PolarHBondContact O-OG 2.69Å; S4-S7 PolarHBondContact OG-N 3.38Å; A5-S7 PolarHBondContact O-N 2.63Å; S7-K11 WeakPolarHBondContact O-CE 3.19Å |
| 8 | H | 97.9 | Very high | 95.2 | Very high | 134 Ų | 134 | 87.1 Ų | 87.1 | 62% | 0.62 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -86.8 | -7.6 | 178.2 | -55.8 | -56.1 | 0 | 0 | 0 | 113.8 | T3 S4 A5 S6 | T3-H8 PolarHBondContact OG1-CE1 3.4Å; T3-H8 PolarHBondContact OG1-NE2 2.67Å; S4-H8 PolarHBondContact O-CD2 3.07Å; A5-H8 WeakPolarHBondContact O-CB 3.43Å; A5-H8 PolarHBondContact O-N 3.49Å; A5-H8 VanDerWaalsContact O-N 3.08Å; S6-H8 VanDerWaalsContact C-N 3.26Å; S6-H8 PolarHBondContact O-N 2.96Å |
| 9 | L | 98.2 | Very high | 95.4 | Very high | 116 Ų | 116 | 86.9 Ų | 86.9 | 61% | 0.607 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -60.8 | 145.2 | 169.5 | -65.7 | 175.6 | 0 | 0 | 0 | 110.1 | S6 K11 | S6-L9 PolarHBondContact O-N 2.72Å; L9-K11 PolarHBondContact O-N 3.04Å |
| 10 | N | 98.2 | Very high | 95.6 | Very high | 109 Ų | 109 | 88.1 Ų | 88.1 | 58% | 0.583 | 48% | 0.482 | S | S | * | . | trans | -65.1 | 102 | -179.6 | -174.4 | -25.1 | 0 | 0 | 0 | 111 | G12 I13 | N10-G12 PolarHBondContact O-N 2.84Å; N10-G12 WeakPolarHBondContact OD1-CA 3.2Å; N10-G12 PolarHBondContact OD1-N 2.94Å; N10-I13 HydrophobicContact CB-CD1 3.96Å; N10-I13 HydrophobicContact CB-CG1 4.07Å; N10-I13 WeakPolarHBondContact O-CB 2.88Å; N10-I13 PolarHBondContact O-N 3.19Å; N10-I13 VanDerWaalsContact O-N 3.16Å; N10-I13 PolarHBondContact OD1-N 2.79Å | ||
| 11 | K | 97.6 | Very high | 95.7 | Very high | 78 Ų | 78 | 90 Ų | 90 | 34% | 0.339 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.7 | -23.9 | -179.1 | -54.5 | -56.7 | -171.3 | 174.5 | 0 | 113 | S6 S7 L9 I13 K14 Q15 D231 | S6-K11 PolarHBondContact O-NZ 3.16Å; S7-K11 WeakPolarHBondContact O-CE 3.19Å; L9-K11 PolarHBondContact O-N 3.04Å; K11-I13 VanDerWaalsContact C-N 3.28Å; K11-I13 PolarHBondContact O-N 2.77Å; K11-K14 PolarHBondContact O-N 2.91Å; K11-Q15 PolarHBondContact O-N 3.27Å; K11-D231 WeakPolarHBondContact CE-O 3.2Å; K11-D231 PolarHBondContact NZ-O 3.29Å |
| 12 | G | 98.3 | Very high | 97.3 | Very high | 43 Ų | 43 | 85.7 Ų | 85.7 | 44% | 0.443 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.7 | -36 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N10 Q15 V16 | N10-G12 PolarHBondContact O-N 2.84Å; N10-G12 WeakPolarHBondContact OD1-CA 3.2Å; N10-G12 PolarHBondContact OD1-N 2.94Å; G12-Q15 WeakPolarHBondContact O-CB 3.49Å; G12-Q15 PolarHBondContact O-N 2.74Å; G12-V16 PolarHBondContact O-N 3.15Å; G12-V16 VanDerWaalsContact O-N 3.15Å |
| 13 | I | 98.4 | Very high | 97.8 | Very high | 99 Ų | 99 | 86 Ų | 86 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.9 | -48.3 | 175.4 | -62.9 | 178.7 | 0 | 0 | 0 | 110.4 | N10 K11 Q15 V16 Y17 | N10-I13 HydrophobicContact CB-CD1 3.96Å; N10-I13 HydrophobicContact CB-CG1 4.07Å; N10-I13 WeakPolarHBondContact O-CB 2.88Å; N10-I13 PolarHBondContact O-N 3.19Å; N10-I13 VanDerWaalsContact O-N 3.16Å; N10-I13 PolarHBondContact OD1-N 2.79Å; K11-I13 VanDerWaalsContact C-N 3.28Å; K11-I13 PolarHBondContact O-N 2.77Å; I13-Q15 PolarHBondContact O-N 3.42Å; I13-V16 WeakPolarHBondContact O-CB 3.4Å; I13-V16 PolarHBondContact O-N 3.14Å; I13-Y17 HydrophobicContact CG2-CD2 4.35Å; I13-Y17 HydrophobicContact CG2-CE2 3.89Å; I13-Y17 VanDerWaalsContact O-CD2 3.23Å; I13-Y17 WeakPolarHBondContact O-CD2 3.43Å |
| 14 | K | 98 | Very high | 98.1 | Very high | 91 Ų | 91 | 92.3 Ų | 92.3 | 40% | 0.396 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -54.4 | -43 | 174.7 | -177.6 | -175.4 | 177.4 | -170.2 | 0 | 110.6 | K11 V16 Y17 M18 D231 | K11-K14 PolarHBondContact O-N 2.91Å; K14-V16 VanDerWaalsContact C-N 3.34Å; K14-V16 PolarHBondContact O-N 3.12Å; K14-Y17 PolarHBondContact O-N 3.32Å; K14-M18 HydrophobicContact CG-CG 4.01Å; K14-M18 VanDerWaalsContact O-CG 3.3Å; K14-M18 WeakPolarHBondContact O-CG 3.42Å; K14-M18 PolarHBondContact O-N 2.85Å; K14-D231 IonicContact NZ-OD1 3.45Å; K14-D231 PolarHBondContact NZ-OD1 2.63Å; K14-D231 IonicContact NZ-OD2 2.63Å |
| 15 | Q | 98.2 | Very high | 98.1 | Very high | 108 Ų | 108 | 95.8 Ų | 95.8 | 51% | 0.505 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.7 | -34.7 | -178 | -170.1 | 55.7 | 43.3 | 0 | 0 | 113.6 | K11 G12 I13 Y17 M18 S19 | K11-Q15 PolarHBondContact O-N 3.27Å; G12-Q15 WeakPolarHBondContact O-CB 3.49Å; G12-Q15 PolarHBondContact O-N 2.74Å; I13-Q15 PolarHBondContact O-N 3.42Å; Q15-Y17 VanDerWaalsContact C-N 3.35Å; Q15-Y17 PolarHBondContact O-N 3.36Å; Q15-M18 PolarHBondContact O-N 2.84Å; Q15-S19 WeakPolarHBondContact O-CB 3.32Å; Q15-S19 PolarHBondContact O-N 2.78Å; Q15-S19 VanDerWaalsContact O-N 3.12Å; Q15-S19 PolarHBondContact O-OG 2.94Å |
| 16 | V | 98.5 | Very high | 98.2 | Very high | 92 Ų | 92 | 91.9 Ų | 91.9 | 56% | 0.558 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -56 | -51.3 | 173.6 | 172.7 | 0 | 0 | 0 | 0 | 110 | G12 I13 K14 S19 | G12-V16 PolarHBondContact O-N 3.15Å; G12-V16 VanDerWaalsContact O-N 3.15Å; I13-V16 WeakPolarHBondContact O-CB 3.4Å; I13-V16 PolarHBondContact O-N 3.14Å; K14-V16 VanDerWaalsContact C-N 3.34Å; K14-V16 PolarHBondContact O-N 3.12Å; V16-S19 PolarHBondContact O-N 2.88Å; V16-S19 PolarHBondContact O-OG 2.65Å |
| 17 | Y | 98.6 | Very high | 98.3 | Very high | 159 Ų | 159 | 91.5 Ų | 91.5 | 62% | 0.624 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.4 | -39.5 | -179.9 | -65 | -80.9 | 0 | 0 | 0 | 113 | I13 K14 Q15 S19 L20 | I13-Y17 HydrophobicContact CG2-CD2 4.35Å; I13-Y17 HydrophobicContact CG2-CE2 3.89Å; I13-Y17 VanDerWaalsContact O-CD2 3.23Å; I13-Y17 WeakPolarHBondContact O-CD2 3.43Å; K14-Y17 PolarHBondContact O-N 3.32Å; Q15-Y17 VanDerWaalsContact C-N 3.35Å; Q15-Y17 PolarHBondContact O-N 3.36Å; Y17-S19 PolarHBondContact O-N 3.01Å; Y17-S19 VanDerWaalsContact O-N 3.14Å; Y17-L20 HydrophobicContact CD1-CD1 4.24Å; Y17-L20 WeakPolarHBondContact O-CB 3.35Å; Y17-L20 WeakPolarHBondContact O-CG 3.43Å; Y17-L20 PolarHBondContact O-N 2.82Å; Y17-L20 VanDerWaalsContact O-N 3.15Å |
| 18 | M | 98.2 | Very high | 98.3 | Very high | 79 Ų | 79 | 90.5 Ų | 90.5 | 39% | 0.389 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.2 | -10.3 | 177.7 | -67.9 | -57.9 | -58.9 | 0 | 0 | 113.7 | K14 Q15 F89 R90 | K14-M18 HydrophobicContact CG-CG 4.01Å; K14-M18 VanDerWaalsContact O-CG 3.3Å; K14-M18 WeakPolarHBondContact O-CG 3.42Å; K14-M18 PolarHBondContact O-N 2.85Å; Q15-M18 PolarHBondContact O-N 2.84Å; M18-F89 WeakPolarHBondContact CE-O 3.47Å; M18-R90 HydrophobicContact CE-CB 4.43Å; M18-R90 HydrophobicContact CE-CG 4.12Å |
| 19 | S | 98.2 | Very high | 98.4 | Very high | 83 Ų | 83 | 84.8 Ų | 84.8 | 58% | 0.58 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -4.3 | 175.9 | 72.1 | 0 | 0 | 0 | 0 | 114.1 | Q15 V16 Y17 | Q15-S19 WeakPolarHBondContact O-CB 3.32Å; Q15-S19 PolarHBondContact O-N 2.78Å; Q15-S19 VanDerWaalsContact O-N 3.12Å; Q15-S19 PolarHBondContact O-OG 2.94Å; V16-S19 PolarHBondContact O-N 2.88Å; V16-S19 PolarHBondContact O-OG 2.65Å; Y17-S19 PolarHBondContact O-N 3.01Å; Y17-S19 VanDerWaalsContact O-N 3.14Å |
| 20 | L | 98.7 | Very high | 98.4 | Very high | 111 Ų | 111 | 79.2 Ų | 79.2 | 58% | 0.581 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -64 | 139.5 | 176.4 | -68.1 | 173.1 | 0 | 0 | 0 | 110.7 | Y17 Q22 | Y17-L20 HydrophobicContact CD1-CD1 4.24Å; Y17-L20 WeakPolarHBondContact O-CB 3.35Å; Y17-L20 WeakPolarHBondContact O-CG 3.43Å; Y17-L20 PolarHBondContact O-N 2.82Å; Y17-L20 VanDerWaalsContact O-N 3.15Å; L20-Q22 PolarHBondContact O-N 2.95Å; L20-Q22 VanDerWaalsContact O-N 3.14Å |
| 21 | P | 98.5 | Very high | 98.4 | Very high | 127 Ų | 127 | 74 Ų | 74 | 83% | 0.825 | 40% | 0.396 | S | S | * | . | trans | -58.8 | 118.6 | 168.5 | -22 | 33.3 | 0 | 0 | 0 | 110.2 | G23 | P21-G23 VanDerWaalsContact C-N 3.35Å; P21-G23 PolarHBondContact O-N 3.02Å | ||
| 22 | Q | 98.3 | Very high | 98.5 | Very high | 74 Ų | 74 | 71 Ų | 71 | 35% | 0.346 | 38% | 0.383 | S | S | . | . | trans | -73.2 | -23.7 | -175 | 157.6 | 171.2 | 4.9 | 0 | 0 | 113.9 | L20 K25 N94 | L20-Q22 PolarHBondContact O-N 2.95Å; L20-Q22 VanDerWaalsContact O-N 3.14Å; Q22-K25 WeakPolarHBondContact CG-O 3.46Å; Q22-K25 PolarHBondContact NE2-O 2.9Å; Q22-N94 PolarHBondContact NE2-OD1 2.98Å; Q22-N94 PolarHBondContact OE1-ND2 2.84Å; Q22-N94 PolarHBondContact OE1-OD1 3.38Å | ||
| 23 | G | 98 | Very high | 98.5 | Very high | 60 Ų | 60 | 69.7 Ų | 69.7 | 62% | 0.619 | 37% | 0.365 | S | S | * | . | trans | 78.8 | -154.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P21 | P21-G23 VanDerWaalsContact C-N 3.35Å; P21-G23 PolarHBondContact O-N 3.02Å | ||
| 24 | E | 97.7 | Very high | 98.5 | Very high | 170 Ų | 170 | 65.4 Ų | 65.4 | 79% | 0.794 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -82.6 | -25.4 | -172.7 | -62.1 | 179.1 | 169.6 | 0 | 0 | 114 | ||
| 25 | K | 98.6 | Very high | 98.5 | Very high | 102 Ų | 102 | 62.2 Ų | 62.2 | 44% | 0.443 | 34% | 0.337 | S | S | . | . | trans | -67.6 | 146.7 | -179 | -62.7 | -55.5 | -175.6 | -168.9 | 0 | 110.6 | Q22 T46 D48 | Q22-K25 WeakPolarHBondContact CG-O 3.46Å; Q22-K25 PolarHBondContact NE2-O 2.9Å; K25-T46 HydrophobicContact CB-CG2 3.77Å; K25-T46 HydrophobicContact CD-CG2 4.27Å; K25-T46 HydrophobicContact CG-CG2 4.2Å; K25-D48 IonicContact NZ-OD1 2.75Å; K25-D48 PolarHBondContact NZ-OD1 3.17Å | ||
| 26 | V | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 59.9 Ų | 59.9 | 1% | 0.012 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 141.8 | -176.1 | -178.5 | 0 | 0 | 0 | 0 | 111 | T46 L47 S49 E50 P93 | V26-T46 CarbonylContact O-C 3.56Å; V26-T46 WeakPolarHBondContact O-CA 3.18Å; V26-L47 HydrophobicContact CB-CB 4.36Å; V26-L47 PolarHBondContact N-O 2.87Å; V26-L47 PolarHBondContact O-N 3.32Å; V26-S49 VanDerWaalsContact CG2-C 3.49Å; V26-E50 HydrophobicContact CG2-CB 4.1Å; V26-P93 HydrophobicContact CB-CG 4.47Å; V26-P93 HydrophobicContact CG1-CB 4.31Å; V26-P93 HydrophobicContact CG1-CG 4.33Å; V26-P93 WeakPolarHBondContact CG1-O 3.23Å; V26-P93 HydrophobicContact CG2-CB 3.91Å; V26-P93 HydrophobicContact CG2-CG 3.65Å |
| 27 | Q | 98.9 | Very high | 98.5 | Very high | 64 Ų | 64 | 55.9 Ų | 55.9 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.7 | 173.8 | -53.7 | -175 | -84.6 | 0 | 0 | 109.9 | T44 N94 K95 | Q27-T44 HydrophobicContact CB-CG2 3.9Å; Q27-N94 WeakPolarHBondContact CA-OD1 3.25Å; Q27-N94 HydrophobicContact CB-CB 4.32Å; Q27-N94 VanDerWaalsContact CB-OD1 3.23Å; Q27-N94 WeakPolarHBondContact CB-OD1 3.49Å; Q27-N94 WeakPolarHBondContact CG-OD1 3.17Å; Q27-N94 PolarHBondContact N-OD1 3.4Å; Q27-N94 WeakPolarHBondContact O-CA 3.48Å; Q27-N94 WeakPolarHBondContact O-CB 3.24Å; Q27-K95 PolarHBondContact O-N 2.88Å |
| 28 | A | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 114.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | Y30 T44 R45 L47 L57 V97 | A28-Y30 HydrophobicContact CB-CD2 4.29Å; A28-Y30 HydrophobicContact CB-CE2 3.86Å; A28-T44 WeakPolarHBondContact O-CA 3.36Å; A28-R45 HydrophobicContact CB-CG 4.36Å; A28-R45 PolarHBondContact N-O 2.86Å; A28-R45 PolarHBondContact O-N 2.88Å; A28-L47 HydrophobicContact CB-CD1 3.82Å; A28-L47 HydrophobicContact CB-CG 4.11Å; A28-L57 HydrophobicContact CB-CD2 4.5Å; A28-V97 HydrophobicContact CB-CG2 4.34Å |
| 29 | M | 98.9 | Very high | 98.5 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 6% | 0.064 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 109.8 | 175.7 | -177.7 | 175.6 | -68.9 | 0 | 0 | 109.9 | I31 C42 K43 K95 L96 V97 F223 | M29-I31 HydrophobicContact CG-CG1 4.44Å; M29-C42 HydrophobicContact CG-CB 3.92Å; M29-C42 HydrophobicContact SD-CB 4.17Å; M29-K43 CarbonylContact C-O 3.56Å; M29-K43 WeakPolarHBondContact CA-O 3.23Å; M29-K95 PolarHBondContact N-O 2.83Å; M29-L96 HydrophobicContact CB-CD2 3.99Å; M29-L96 HydrophobicContact CG-CD2 4.39Å; M29-L96 CarbonylContact O-C 3.56Å; M29-L96 HydrophobicContact SD-CD2 4.08Å; M29-V97 PolarHBondContact O-N 3.39Å; M29-F223 HydrophobicContact SD-CE1 3.77Å; M29-F223 HydrophobicContact SD-CZ 3.44Å; M29-F223 WeakPolarHBondContact SD-CZ 3.41Å |
| 30 | Y | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 131.6 | 177.8 | -76.8 | -129.2 | 0 | 0 | 0 | 108.6 | A28 C42 K43 R45 P58 W60 L79 P81 V97 C99 | A28-Y30 HydrophobicContact CB-CD2 4.29Å; A28-Y30 HydrophobicContact CB-CE2 3.86Å; Y30-C42 CarbonylContact O-C 3.59Å; Y30-C42 WeakPolarHBondContact O-CA 3.37Å; Y30-C42 WeakPolarHBondContact O-CB 3.25Å; Y30-K43 PolarHBondContact N-O 2.66Å; Y30-K43 PolarHBondContact O-N 3Å; Y30-R45 HydrophobicContact CE2-CG 4.08Å; Y30-P58 WeakPolarHBondContact CE1-O 3.4Å; Y30-P58 WeakPolarHBondContact OH-CD 3.49Å; Y30-P58 PolarHBondContact OH-O 3.22Å; Y30-W60 HydrophobicContact CD1-CB 4.24Å; Y30-W60 AromaticContact CD1-CE3 4Å; Y30-W60 HydrophobicContact CD1-CE3 4Å; Y30-W60 AromaticContact CD2-CE3 3.87Å; Y30-W60 HydrophobicContact CD2-CE3 3.87Å; Y30-W60 HydrophobicContact CD2-CZ3 4.07Å; Y30-W60 HydrophobicContact CE1-CB 4.13Å; Y30-W60 HydrophobicContact CE1-CE3 4.36Å; Y30-W60 HydrophobicContact CE2-CE3 4.26Å; Y30-W60 AromaticContact CG-CE3 3.76Å; Y30-W60 HydrophobicContact CG-CE3 3.76Å; Y30-W60 HydrophobicContact CG-CZ3 4.23Å; Y30-L79 HydrophobicContact CD1-CB 4.35Å; Y30-L79 HydrophobicContact CD1-CD1 4.4Å; Y30-P81 HydrophobicContact CE1-CG 3.89Å; Y30-V97 CarbonylContact C-O 3.56Å; Y30-V97 WeakPolarHBondContact CA-O 3.34Å; Y30-V97 HydrophobicContact CD1-CG1 4.38Å; Y30-V97 HydrophobicContact CD2-CB 4.1Å; Y30-V97 HydrophobicContact CD2-CG2 4.24Å; Y30-V97 HydrophobicContact CE1-CG1 4.33Å; Y30-V97 HydrophobicContact CE2-CB 4.29Å; Y30-V97 HydrophobicContact CE2-CG1 4.48Å; Y30-V97 HydrophobicContact CE2-CG2 4.11Å; Y30-V97 HydrophobicContact CG-CB 4.27Å; Y30-V97 HydrophobicContact CG-CG1 4.48Å; Y30-C99 WeakPolarHBondContact CD1-SG 3.33Å |
| 31 | I | 99 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134.2 | -174.2 | -57.3 | 161.4 | 0 | 0 | 0 | 108.2 | M29 L40 R41 C42 L96 V97 L98 C99 F223 | M29-I31 HydrophobicContact CG-CG1 4.44Å; I31-L40 HydrophobicContact CG2-CD2 3.98Å; I31-R41 WeakPolarHBondContact CA-O 3.38Å; I31-C42 HydrophobicContact CG1-CB 4.24Å; I31-L96 HydrophobicContact CD1-CB 3.85Å; I31-L96 HydrophobicContact CD1-CD1 4.31Å; I31-L96 HydrophobicContact CD1-CD2 4.31Å; I31-L96 HydrophobicContact CD1-CG 4.36Å; I31-V97 PolarHBondContact N-O 2.98Å; I31-L98 HydrophobicContact CG2-CD1 4.41Å; I31-C99 PolarHBondContact O-N 2.87Å; I31-F223 HydrophobicContact CD1-CB 4.41Å; I31-F223 HydrophobicContact CD1-CD1 3.4Å; I31-F223 HydrophobicContact CD1-CD2 4.18Å; I31-F223 HydrophobicContact CD1-CE1 3.59Å; I31-F223 HydrophobicContact CD1-CE2 4.35Å; I31-F223 HydrophobicContact CD1-CG 3.72Å; I31-F223 HydrophobicContact CD1-CZ 4.08Å; I31-F223 HydrophobicContact CG1-CD1 4.1Å; I31-F223 HydrophobicContact CG1-CD2 4.09Å; I31-F223 HydrophobicContact CG1-CE1 3.98Å; I31-F223 HydrophobicContact CG1-CE2 3.98Å; I31-F223 HydrophobicContact CG1-CG 4.15Å; I31-F223 HydrophobicContact CG1-CZ 3.93Å; I31-F223 HydrophobicContact CG2-CB 4.31Å; I31-F223 HydrophobicContact CG2-CD2 3.68Å; I31-F223 HydrophobicContact CG2-CE2 4.2Å; I31-F223 HydrophobicContact CG2-CG 3.98Å |
| 32 | W | 98.9 | Very high | 98.6 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 5% | 0.049 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 161.2 | 176 | 70.7 | 100.3 | 0 | 0 | 0 | 112.5 | L40 R41 C42 K43 F62 T67 L79 V101 | W32-L40 WeakPolarHBondContact O-CA 3.44Å; W32-R41 HydrophobicContact CD2-CB 3.76Å; W32-R41 HydrophobicContact CE3-CB 4.15Å; W32-R41 HydrophobicContact CG-CB 4.4Å; W32-R41 HydrophobicContact CH2-CB 3.76Å; W32-R41 HydrophobicContact CZ2-CB 3.35Å; W32-R41 HydrophobicContact CZ2-CG 4.12Å; W32-R41 HydrophobicContact CZ3-CB 4.15Å; W32-R41 PolarHBondContact N-O 3.35Å; W32-R41 PolarHBondContact O-N 3.12Å; W32-C42 VanDerWaalsContact CZ3-CA 3.47Å; W32-K43 HydrophobicContact CH2-CG 4.22Å; W32-K43 HydrophobicContact CZ3-CG 4.04Å; W32-F62 AromaticContact CD1-CZ 3.9Å; W32-F62 HydrophobicContact CZ2-CB 4.31Å; W32-F62 HydrophobicContact CZ2-CD1 4.43Å; W32-F62 AromaticContact CZ2-CD2 3.89Å; W32-F62 HydrophobicContact CZ2-CD2 3.89Å; W32-F62 HydrophobicContact CZ2-CE2 4.33Å; W32-F62 AromaticContact CZ2-CG 3.94Å; W32-F62 HydrophobicContact CZ2-CG 3.94Å; W32-F62 AromaticContact NE1-CD2 3.95Å; W32-F62 AromaticContact NE1-CE1 3.96Å; W32-F62 AromaticContact NE1-CE2 3.48Å; W32-F62 AromaticContact NE1-CZ 3.48Å; W32-T67 HydrophobicContact CZ2-CG2 4.43Å; W32-L79 HydrophobicContact CB-CD2 3.7Å; W32-L79 HydrophobicContact CD2-CD1 4.32Å; W32-L79 HydrophobicContact CD2-CD2 3.8Å; W32-L79 HydrophobicContact CE3-CD1 3.85Å; W32-L79 HydrophobicContact CE3-CD2 4.06Å; W32-L79 HydrophobicContact CG-CD2 3.65Å; W32-L79 HydrophobicContact CZ3-CD1 4.06Å; W32-V101 HydrophobicContact CB-CG2 3.75Å; W32-V101 HydrophobicContact CG-CG2 4.07Å |
| 33 | I | 98.9 | Very high | 98.6 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 8% | 0.082 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 132.1 | 176.1 | -55 | 163.7 | 0 | 0 | 0 | 108.5 | G39 L40 Q69 W219 F349 | I33-G39 WeakPolarHBondContact CA-O 3.43Å; I33-L40 HydrophobicContact CG1-CD2 4.19Å; I33-Q69 PolarHBondContact O-NE2 3.15Å; I33-Q69 VanDerWaalsContact O-NE2 3.11Å; I33-W219 HydrophobicContact CD1-CD2 3.95Å; I33-W219 VanDerWaalsContact CD1-CE2 3.45Å; I33-W219 HydrophobicContact CD1-CG 4.28Å; I33-W219 HydrophobicContact CD1-CH2 4.43Å; I33-W219 HydrophobicContact CD1-CZ2 3.73Å; I33-W219 HydrophobicContact CG1-CD2 4.12Å; I33-W219 HydrophobicContact CG1-CE3 4.36Å; I33-W219 HydrophobicContact CG1-CH2 4.39Å; I33-W219 HydrophobicContact CG1-CZ2 4.16Å; I33-W219 HydrophobicContact CG1-CZ3 4.48Å; I33-W219 HydrophobicContact CG2-CH2 4.41Å; I33-F349 HydrophobicContact CD1-CD2 4.46Å; I33-F349 HydrophobicContact CD1-CE2 4.24Å |
| 34 | D | 97.9 | Very high | 98.6 | Very high | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.048 | 21% | 0.21 | C | C | . | . | trans | -82.8 | -173.3 | 179.2 | 76.6 | 15.6 | 0 | 0 | 0 | 113.4 | T36 G37 G39 R41 T111 | D34-T36 PolarHBondContact O-N 3.19Å; D34-T36 VanDerWaalsContact OD1-CB 3.32Å; D34-T36 WeakPolarHBondContact OD1-CB 3.19Å; D34-T36 WeakPolarHBondContact OD1-CG2 3.5Å; D34-T36 PolarHBondContact OD1-N 2.9Å; D34-T36 PolarHBondContact OD1-OG1 3.43Å; D34-G37 PolarHBondContact O-N 3.34Å; D34-G39 PolarHBondContact N-O 3.42Å; D34-R41 HydrophobicContact CB-CG 3.8Å; D34-R41 IonicContact OD2-CZ 3.5Å; D34-R41 IonicContact OD2-NE 3.87Å; D34-R41 PolarHBondContact OD2-NE 2.68Å; D34-R41 IonicContact OD2-NH2 3.95Å; D34-R41 PolarHBondContact OD2-NH2 3.31Å; D34-T111 WeakPolarHBondContact O-CB 3.37Å; D34-T111 WeakPolarHBondContact O-CG2 3.48Å; D34-T111 PolarHBondContact O-OG1 3.26Å | ||
| 35 | G | 98.1 | Very high | 98.7 | Very high | 25 Ų | 25 | 35.5 Ų | 35.5 | 26% | 0.258 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -9.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T67 L68 Q69 | G35-T67 PolarHBondContact N-O 3.19Å; G35-L68 WeakPolarHBondContact CA-O 3.36Å; G35-Q69 VanDerWaalsContact N-CG 3.3Å |
| 36 | T | 98.2 | Very high | 98.7 | Very high | 59 Ų | 59 | 35 Ų | 35 | 36% | 0.362 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -22.2 | 173.6 | 67 | 0 | 0 | 0 | 0 | 112.6 | D34 E38 G39 L68 | D34-T36 PolarHBondContact O-N 3.19Å; D34-T36 VanDerWaalsContact OD1-CB 3.32Å; D34-T36 WeakPolarHBondContact OD1-CB 3.19Å; D34-T36 WeakPolarHBondContact OD1-CG2 3.5Å; D34-T36 PolarHBondContact OD1-N 2.9Å; D34-T36 PolarHBondContact OD1-OG1 3.43Å; T36-E38 PolarHBondContact O-N 2.91Å; T36-E38 PolarHBondContact OG1-N 3.4Å; T36-E38 VanDerWaalsContact OG1-N 3.07Å; T36-G39 PolarHBondContact OG1-N 2.92Å; T36-L68 HydrophobicContact CG2-CD1 3.78Å |
| 37 | G | 98.4 | Very high | 98.7 | Very high | 7 Ų | 7 | 36 Ų | 36 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 74.8 | 0.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114 | D34 W219 | D34-G37 PolarHBondContact O-N 3.34Å; G37-W219 WeakPolarHBondContact O-CH2 3.45Å |
| 38 | E | 98.6 | Very high | 98.7 | Very high | 63 Ų | 63 | 38.7 Ų | 38.7 | 29% | 0.294 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -117.2 | -43.7 | -179.9 | -65.8 | -176.3 | -98.2 | 0 | 0 | 111.5 | T36 P290 K291 N345 | T36-E38 PolarHBondContact O-N 2.91Å; T36-E38 PolarHBondContact OG1-N 3.4Å; T36-E38 VanDerWaalsContact OG1-N 3.07Å; E38-P290 HydrophobicContact CG-CB 4.13Å; E38-P290 HydrophobicContact CG-CG 3.68Å; E38-K291 IonicContact OE1-NZ 3.65Å; E38-N345 WeakPolarHBondContact OE2-CB 3.34Å; E38-N345 PolarHBondContact OE2-ND2 3.31Å |
| 39 | G | 98.3 | Very high | 98.6 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 24% | 0.237 | 24% | 0.24 | C | C | . | . | trans | -74 | 142.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | I33 D34 T36 | I33-G39 WeakPolarHBondContact CA-O 3.43Å; D34-G39 PolarHBondContact N-O 3.42Å; T36-G39 PolarHBondContact OG1-N 2.92Å | ||
| 40 | L | 98.9 | Very high | 98.6 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 16% | 0.157 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 140.6 | 172.5 | -72.8 | 163.4 | 0 | 0 | 0 | 110.7 | I31 W32 I33 W219 R222 F223 | I31-L40 HydrophobicContact CG2-CD2 3.98Å; W32-L40 WeakPolarHBondContact O-CA 3.44Å; I33-L40 HydrophobicContact CG1-CD2 4.19Å; L40-W219 HydrophobicContact CD1-CE3 4.09Å; L40-W219 HydrophobicContact CD1-CZ3 4.42Å; L40-W219 HydrophobicContact CD2-CE3 3.84Å; L40-W219 HydrophobicContact CD2-CZ3 4.26Å; L40-W219 HydrophobicContact CG-CE3 4.08Å; L40-W219 HydrophobicContact CG-CZ3 4.17Å; L40-R222 HydrophobicContact CD1-CB 4.21Å; L40-F223 HydrophobicContact CB-CD2 4.33Å; L40-F223 HydrophobicContact CD1-CB 3.83Å; L40-F223 HydrophobicContact CD1-CD2 4.38Å |
| 41 | R | 98.8 | Very high | 98.6 | Very high | 82 Ų | 82 | 45.2 Ų | 45.2 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 155.9 | 175.7 | -55 | -64.1 | -178.1 | 106 | 4.3 | 109.5 | I31 W32 D34 S66 T67 | I31-R41 WeakPolarHBondContact CA-O 3.38Å; W32-R41 HydrophobicContact CD2-CB 3.76Å; W32-R41 HydrophobicContact CE3-CB 4.15Å; W32-R41 HydrophobicContact CG-CB 4.4Å; W32-R41 HydrophobicContact CH2-CB 3.76Å; W32-R41 HydrophobicContact CZ2-CB 3.35Å; W32-R41 HydrophobicContact CZ2-CG 4.12Å; W32-R41 HydrophobicContact CZ3-CB 4.15Å; W32-R41 PolarHBondContact N-O 3.35Å; W32-R41 PolarHBondContact O-N 3.12Å; D34-R41 HydrophobicContact CB-CG 3.8Å; D34-R41 IonicContact OD2-CZ 3.5Å; D34-R41 IonicContact OD2-NE 3.87Å; D34-R41 PolarHBondContact OD2-NE 2.68Å; D34-R41 IonicContact OD2-NH2 3.95Å; D34-R41 PolarHBondContact OD2-NH2 3.31Å; R41-S66 PolarHBondContact NH1-O 2.78Å; R41-T67 HydrophobicContact CG-CG2 4.33Å |
| 42 | C | 98.9 | Very high | 98.5 | Very high | 53 Ų | 53 | 52.2 Ų | 52.2 | 36% | 0.358 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 159.5 | 173.4 | 69.4 | 0 | 0 | 0 | 0 | 113.5 | M29 Y30 I31 W32 F223 | M29-C42 HydrophobicContact CG-CB 3.92Å; M29-C42 HydrophobicContact SD-CB 4.17Å; Y30-C42 CarbonylContact O-C 3.59Å; Y30-C42 WeakPolarHBondContact O-CA 3.37Å; Y30-C42 WeakPolarHBondContact O-CB 3.25Å; I31-C42 HydrophobicContact CG1-CB 4.24Å; W32-C42 VanDerWaalsContact CZ3-CA 3.47Å; C42-F223 HydrophobicContact CB-CE2 3.78Å; C42-F223 HydrophobicContact CB-CZ 3.95Å |
| 43 | K | 98.8 | Very high | 98.5 | Very high | 63 Ų | 63 | 53.8 Ų | 53.8 | 27% | 0.274 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 162.8 | 166 | 62.7 | 175.1 | -177.4 | 169.2 | 0 | 111 | M29 Y30 W32 W60 N61 | M29-K43 CarbonylContact C-O 3.56Å; M29-K43 WeakPolarHBondContact CA-O 3.23Å; Y30-K43 PolarHBondContact N-O 2.66Å; Y30-K43 PolarHBondContact O-N 3Å; W32-K43 HydrophobicContact CH2-CG 4.22Å; W32-K43 HydrophobicContact CZ3-CG 4.04Å; K43-W60 HydrophobicContact CB-CH2 4.47Å; K43-W60 HydrophobicContact CD-CH2 3.78Å; K43-W60 HydrophobicContact CD-CZ2 3.93Å; K43-W60 HydrophobicContact CD-CZ3 4.11Å; K43-W60 VanDerWaalsContact CE-CE2 3.49Å; K43-W60 HydrophobicContact CG-CE3 4.3Å; K43-W60 HydrophobicContact CG-CH2 3.74Å; K43-W60 HydrophobicContact CG-CZ2 4.4Å; K43-W60 HydrophobicContact CG-CZ3 3.72Å; K43-N61 VanDerWaalsContact CE-O 3.3Å; K43-N61 WeakPolarHBondContact CE-O 3.47Å; K43-N61 PolarHBondContact NZ-O 3.14Å |
| 44 | T | 98.9 | Very high | 98.4 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 29% | 0.288 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 135.2 | -172.6 | -61.1 | 0 | 0 | 0 | 0 | 112 | Q27 A28 W60 R90 | Q27-T44 HydrophobicContact CB-CG2 3.9Å; A28-T44 WeakPolarHBondContact O-CA 3.36Å; T44-W60 VanDerWaalsContact C-CH2 3.46Å; T44-W60 WeakPolarHBondContact O-CH2 3.48Å; T44-R90 PolarHBondContact OG1-NH1 3.27Å; T44-R90 PolarHBondContact OG1-NH2 3.48Å |
| 45 | R | 98.8 | Very high | 98.4 | Very high | 75 Ų | 75 | 61.4 Ų | 61.4 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 159.2 | 165.3 | 64 | -173.8 | -59.3 | 158.7 | 1.3 | 111.5 | A28 Y30 L47 W60 | A28-R45 HydrophobicContact CB-CG 4.36Å; A28-R45 PolarHBondContact N-O 2.86Å; A28-R45 PolarHBondContact O-N 2.88Å; Y30-R45 HydrophobicContact CE2-CG 4.08Å; R45-L47 HydrophobicContact CG-CD2 4.29Å; R45-W60 HydrophobicContact CB-CE3 4.3Å; R45-W60 HydrophobicContact CB-CH2 3.49Å; R45-W60 VanDerWaalsContact CB-CH2 3.49Å; R45-W60 HydrophobicContact CB-CZ2 4.01Å; R45-W60 HydrophobicContact CB-CZ3 3.62Å; R45-W60 HydrophobicContact CG-CE3 4.13Å; R45-W60 HydrophobicContact CG-CH2 4.17Å; R45-W60 HydrophobicContact CG-CZ3 3.76Å |
| 46 | T | 98.8 | Very high | 98.5 | Very high | 92 Ų | 92 | 65.3 Ų | 65.3 | 56% | 0.564 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 138.6 | 168.8 | -48.8 | 0 | 0 | 0 | 0 | 109.9 | K25 V26 | K25-T46 HydrophobicContact CB-CG2 3.77Å; K25-T46 HydrophobicContact CD-CG2 4.27Å; K25-T46 HydrophobicContact CG-CG2 4.2Å; V26-T46 CarbonylContact O-C 3.56Å; V26-T46 WeakPolarHBondContact O-CA 3.18Å |
| 47 | L | 98.8 | Very high | 98.5 | Very high | 21 Ų | 21 | 63 Ų | 63 | 11% | 0.11 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 153.5 | 168.3 | -55.7 | 178.9 | 0 | 0 | 0 | 109 | V26 A28 R45 S49 P51 L57 P58 | V26-L47 HydrophobicContact CB-CB 4.36Å; V26-L47 PolarHBondContact N-O 2.87Å; V26-L47 PolarHBondContact O-N 3.32Å; A28-L47 HydrophobicContact CB-CD1 3.82Å; A28-L47 HydrophobicContact CB-CG 4.11Å; R45-L47 HydrophobicContact CG-CD2 4.29Å; L47-S49 VanDerWaalsContact C-N 3.32Å; L47-P51 HydrophobicContact CD1-CG 3.89Å; L47-L57 HydrophobicContact CD1-CD2 3.83Å; L47-P58 HydrophobicContact CD2-CG 4.21Å |
| 48 | D | 98.5 | Very high | 98.5 | Very high | 122 Ų | 122 | 64.9 Ų | 64.9 | 65% | 0.652 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -73.8 | -25.3 | -178.6 | -67.7 | -48.8 | 0 | 0 | 0 | 113.4 | K25 | K25-D48 IonicContact NZ-OD1 2.75Å; K25-D48 PolarHBondContact NZ-OD1 3.17Å |
| 49 | S | 98.1 | Very high | 98.5 | Very high | 82 Ų | 82 | 66.1 Ų | 66.1 | 57% | 0.573 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -151.4 | 169.8 | 178.3 | 58.9 | 0 | 0 | 0 | 0 | 111.1 | V26 L47 P51 | V26-S49 VanDerWaalsContact CG2-C 3.49Å; L47-S49 VanDerWaalsContact C-N 3.32Å; S49-P51 WeakPolarHBondContact O-CD 3.41Å |
| 50 | E | 98.6 | Very high | 98.5 | Very high | 60 Ų | 60 | 67.4 Ų | 67.4 | 28% | 0.28 | 34% | 0.344 | S | S | . | . | trans | -70.2 | 120.3 | 176.9 | -172.7 | -170.4 | -155.7 | 0 | 0 | 111.2 | V26 K52 P93 K95 | V26-E50 HydrophobicContact CG2-CB 4.1Å; E50-K52 IonicContact OE2-NZ 2.84Å; E50-K52 PolarHBondContact OE2-NZ 3.23Å; E50-P93 HydrophobicContact CB-CB 4.01Å; E50-P93 HydrophobicContact CG-CB 3.91Å; E50-K95 IonicContact OE1-NZ 2.63Å; E50-K95 PolarHBondContact OE1-NZ 3.14Å | ||
| 51 | P | 98.4 | Very high | 98.5 | Very high | 7 Ų | 7 | 69.2 Ų | 69.2 | 5% | 0.045 | 35% | 0.354 | C | S | . | . | trans | -69.7 | 138.3 | 176.4 | 30 | -34.9 | 0 | 0 | 0 | 110.7 | L47 S49 E56 L57 M84 K95 | L47-P51 HydrophobicContact CD1-CG 3.89Å; S49-P51 WeakPolarHBondContact O-CD 3.41Å; P51-E56 VanDerWaalsContact CA-OE2 3.31Å; P51-E56 WeakPolarHBondContact CA-OE2 3.44Å; P51-E56 HydrophobicContact CB-CB 4.13Å; P51-L57 HydrophobicContact CB-CD2 4.1Å; P51-L57 HydrophobicContact CB-CG 4.37Å; P51-L57 HydrophobicContact CG-CD2 3.81Å; P51-L57 HydrophobicContact CG-CG 4.48Å; P51-M84 HydrophobicContact CB-SD 4.22Å; P51-M84 HydrophobicContact CG-SD 3.75Å; P51-K95 HydrophobicContact CG-CG 3.88Å | ||
| 52 | K | 97.7 | Very high | 98.5 | Very high | 147 Ų | 147 | 65.9 Ų | 65.9 | 64% | 0.639 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -93.1 | -25.8 | -178.4 | -58.9 | -55.5 | 177.6 | -172.2 | 0 | 113.5 | E50 E56 | E50-K52 IonicContact OE2-NZ 2.84Å; E50-K52 PolarHBondContact OE2-NZ 3.23Å; K52-E56 PolarHBondContact N-OE2 3.28Å |
| 53 | C | 97.8 | Very high | 98.4 | Very high | 46 Ų | 46 | 66.1 Ų | 66.1 | 31% | 0.311 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -142.6 | 171.6 | 174.6 | 66.4 | 0 | 0 | 0 | 0 | 111.4 | E55 E56 | C53-E55 WeakPolarHBondContact CB-OE2 3.38Å; C53-E55 PolarHBondContact O-N 3.28Å; C53-E55 PolarHBondContact SG-OE2 3.46Å; C53-E56 PolarHBondContact O-N 3.4Å |
| 54 | V | 97.9 | Very high | 98.4 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -68.4 | -27.9 | -176.6 | 67.6 | 0 | 0 | 0 | 0 | 111.6 | E56 L57 P81 | V54-E56 VanDerWaalsContact C-N 3.26Å; V54-E56 PolarHBondContact O-N 2.85Å; V54-L57 HydrophobicContact CG2-CD1 4.18Å; V54-L57 WeakPolarHBondContact O-CB 3.46Å; V54-L57 PolarHBondContact O-N 2.94Å; V54-L57 VanDerWaalsContact O-N 3.16Å; V54-P81 HydrophobicContact CG2-CB 3.77Å |
| 55 | E | 98 | Very high | 98.3 | Very high | 151 Ų | 151 | 63.5 Ų | 63.5 | 71% | 0.706 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -70.6 | -19.7 | -179.5 | -59.4 | 74.2 | -162.7 | 0 | 0 | 113.1 | C53 L57 | C53-E55 WeakPolarHBondContact CB-OE2 3.38Å; C53-E55 PolarHBondContact O-N 3.28Å; C53-E55 PolarHBondContact SG-OE2 3.46Å; E55-L57 VanDerWaalsContact C-N 3.27Å |
| 56 | E | 98.4 | Very high | 98.2 | Very high | 107 Ų | 107 | 63.7 Ų | 63.7 | 50% | 0.5 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -79.2 | -10.5 | 173.9 | -71.6 | 177.4 | -165.5 | 0 | 0 | 112.8 | P51 K52 C53 V54 | P51-E56 VanDerWaalsContact CA-OE2 3.31Å; P51-E56 WeakPolarHBondContact CA-OE2 3.44Å; P51-E56 HydrophobicContact CB-CB 4.13Å; K52-E56 PolarHBondContact N-OE2 3.28Å; C53-E56 PolarHBondContact O-N 3.4Å; V54-E56 VanDerWaalsContact C-N 3.26Å; V54-E56 PolarHBondContact O-N 2.85Å |
| 57 | L | 98.7 | Very high | 98.1 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -82.1 | 130.3 | 179.4 | -67.2 | 164.9 | 0 | 0 | 0 | 110.4 | A28 L47 P51 V54 E55 P81 M84 V97 | A28-L57 HydrophobicContact CB-CD2 4.5Å; L47-L57 HydrophobicContact CD1-CD2 3.83Å; P51-L57 HydrophobicContact CB-CD2 4.1Å; P51-L57 HydrophobicContact CB-CG 4.37Å; P51-L57 HydrophobicContact CG-CD2 3.81Å; P51-L57 HydrophobicContact CG-CG 4.48Å; V54-L57 HydrophobicContact CG2-CD1 4.18Å; V54-L57 WeakPolarHBondContact O-CB 3.46Å; V54-L57 PolarHBondContact O-N 2.94Å; V54-L57 VanDerWaalsContact O-N 3.16Å; E55-L57 VanDerWaalsContact C-N 3.27Å; L57-P81 HydrophobicContact CB-CB 3.91Å; L57-P81 HydrophobicContact CB-CG 3.67Å; L57-P81 HydrophobicContact CD1-CB 4.12Å; L57-M84 HydrophobicContact CD1-CB 4.21Å; L57-M84 HydrophobicContact CD1-CG 4.23Å; L57-M84 HydrophobicContact CD1-SD 3.81Å; L57-M84 HydrophobicContact CD2-SD 4.5Å; L57-M84 HydrophobicContact CG-SD 4.32Å; L57-V97 HydrophobicContact CD1-CB 4.25Å; L57-V97 HydrophobicContact CD1-CG1 3.65Å; L57-V97 HydrophobicContact CD1-CG2 3.57Å; L57-V97 HydrophobicContact CD2-CG2 4Å; L57-V97 HydrophobicContact CG-CG2 4.44Å |
| 58 | P | 98.6 | Very high | 98 | Very high | 45 Ų | 45 | 64.7 Ų | 64.7 | 29% | 0.292 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 147.3 | 177.5 | 28.2 | -34.9 | 0 | 0 | 0 | 111.4 | Y30 L47 | Y30-P58 WeakPolarHBondContact CE1-O 3.4Å; Y30-P58 WeakPolarHBondContact OH-CD 3.49Å; Y30-P58 PolarHBondContact OH-O 3.22Å; L47-P58 HydrophobicContact CD2-CG 4.21Å |
| 59 | E | 98.7 | Very high | 97.9 | Very high | 90 Ų | 90 | 59.8 Ų | 59.8 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -57.3 | 155.6 | 160.6 | -66 | -172.7 | 165.2 | 0 | 0 | 110.3 | L79 V80 R106 | E59-L79 WeakPolarHBondContact CA-O 3.44Å; E59-V80 HydrophobicContact CG-CG2 4.31Å; E59-R106 IonicContact OE1-CZ 2.84Å; E59-R106 IonicContact OE1-NH1 3.26Å; E59-R106 PolarHBondContact OE1-NH1 3.09Å; E59-R106 IonicContact OE1-NH2 3.65Å; E59-R106 PolarHBondContact OE1-NH2 3.21Å; E59-R106 IonicContact OE2-CZ 3.75Å; E59-R106 IonicContact OE2-NH1 3.4Å; E59-R106 IonicContact OE2-NH2 2.76Å; E59-R106 PolarHBondContact OE2-NH2 3.07Å |
| 60 | W | 98.6 | Very high | 97.6 | Very high | 50 Ų | 50 | 57.5 Ų | 57.5 | 19% | 0.189 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | -179.3 | 175.5 | -153.8 | -0.5 | 0 | 0 | 0 | 110.6 | Y30 K43 T44 R45 Y78 L79 | Y30-W60 HydrophobicContact CD1-CB 4.24Å; Y30-W60 AromaticContact CD1-CE3 4Å; Y30-W60 HydrophobicContact CD1-CE3 4Å; Y30-W60 AromaticContact CD2-CE3 3.87Å; Y30-W60 HydrophobicContact CD2-CE3 3.87Å; Y30-W60 HydrophobicContact CD2-CZ3 4.07Å; Y30-W60 HydrophobicContact CE1-CB 4.13Å; Y30-W60 HydrophobicContact CE1-CE3 4.36Å; Y30-W60 HydrophobicContact CE2-CE3 4.26Å; Y30-W60 AromaticContact CG-CE3 3.76Å; Y30-W60 HydrophobicContact CG-CE3 3.76Å; Y30-W60 HydrophobicContact CG-CZ3 4.23Å; K43-W60 HydrophobicContact CB-CH2 4.47Å; K43-W60 HydrophobicContact CD-CH2 3.78Å; K43-W60 HydrophobicContact CD-CZ2 3.93Å; K43-W60 HydrophobicContact CD-CZ3 4.11Å; K43-W60 VanDerWaalsContact CE-CE2 3.49Å; K43-W60 HydrophobicContact CG-CE3 4.3Å; K43-W60 HydrophobicContact CG-CH2 3.74Å; K43-W60 HydrophobicContact CG-CZ2 4.4Å; K43-W60 HydrophobicContact CG-CZ3 3.72Å; T44-W60 VanDerWaalsContact C-CH2 3.46Å; T44-W60 WeakPolarHBondContact O-CH2 3.48Å; R45-W60 HydrophobicContact CB-CE3 4.3Å; R45-W60 HydrophobicContact CB-CH2 3.49Å; R45-W60 VanDerWaalsContact CB-CH2 3.49Å; R45-W60 HydrophobicContact CB-CZ2 4.01Å; R45-W60 HydrophobicContact CB-CZ3 3.62Å; R45-W60 HydrophobicContact CG-CE3 4.13Å; R45-W60 HydrophobicContact CG-CH2 4.17Å; R45-W60 HydrophobicContact CG-CZ3 3.76Å; W60-Y78 CarbonylContact O-C 3.57Å; W60-Y78 WeakPolarHBondContact O-CA 3.43Å; W60-L79 HydrophobicContact CB-CB 4.35Å; W60-L79 HydrophobicContact CB-CD1 4.5Å; W60-L79 PolarHBondContact N-O 3.03Å; W60-L79 PolarHBondContact O-N 2.83Å |
| 61 | N | 98.4 | Very high | 97 | Very high | 67 Ų | 67 | 62.6 Ų | 62.6 | 36% | 0.358 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 164.1 | -178.6 | 71.4 | -62.7 | 0 | 0 | 0 | 110.8 | K43 M77 Y78 | K43-N61 VanDerWaalsContact CE-O 3.3Å; K43-N61 WeakPolarHBondContact CE-O 3.47Å; K43-N61 PolarHBondContact NZ-O 3.14Å; N61-M77 CarbonylContact C-O 3.45Å; N61-M77 WeakPolarHBondContact CA-O 3.44Å; N61-M77 VanDerWaalsContact CB-O 3.29Å; N61-M77 WeakPolarHBondContact CB-O 3.09Å; N61-Y78 HydrophobicContact CB-CD1 4.37Å |
| 62 | F | 98.4 | Very high | 96.2 | Very high | 12 Ų | 12 | 65.4 Ų | 65.4 | 5% | 0.053 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 167.5 | 171.8 | 67.4 | -77.6 | 0 | 0 | 0 | 110.1 | W32 G64 T67 M77 L79 V101 | W32-F62 AromaticContact CD1-CZ 3.9Å; W32-F62 HydrophobicContact CZ2-CB 4.31Å; W32-F62 HydrophobicContact CZ2-CD1 4.43Å; W32-F62 AromaticContact CZ2-CD2 3.89Å; W32-F62 HydrophobicContact CZ2-CD2 3.89Å; W32-F62 HydrophobicContact CZ2-CE2 4.33Å; W32-F62 AromaticContact CZ2-CG 3.94Å; W32-F62 HydrophobicContact CZ2-CG 3.94Å; W32-F62 AromaticContact NE1-CD2 3.95Å; W32-F62 AromaticContact NE1-CE1 3.96Å; W32-F62 AromaticContact NE1-CE2 3.48Å; W32-F62 AromaticContact NE1-CZ 3.48Å; F62-G64 PolarHBondContact O-N 2.89Å; F62-T67 HydrophobicContact CD2-CG2 3.96Å; F62-T67 HydrophobicContact CE2-CG2 3.87Å; F62-T67 WeakPolarHBondContact CE2-OG1 3.25Å; F62-M77 HydrophobicContact CD1-CB 4.13Å; F62-M77 HydrophobicContact CE1-CB 3.57Å; F62-M77 HydrophobicContact CE2-CB 4.13Å; F62-M77 HydrophobicContact CE2-SD 4.07Å; F62-M77 HydrophobicContact CZ-CB 3.58Å; F62-M77 HydrophobicContact CZ-CG 4.23Å; F62-M77 HydrophobicContact CZ-SD 3.77Å; F62-M77 PolarHBondContact N-O 3.18Å; F62-M77 PolarHBondContact O-N 3.17Å; F62-L79 HydrophobicContact CD1-CD1 3.99Å; F62-L79 HydrophobicContact CD1-CD2 3.74Å; F62-L79 HydrophobicContact CD1-CG 3.64Å; F62-L79 HydrophobicContact CE1-CD2 3.49Å; F62-L79 VanDerWaalsContact CE1-CD2 3.49Å; F62-L79 HydrophobicContact CE1-CG 3.88Å; F62-V101 HydrophobicContact CE1-CG1 3.89Å; F62-V101 HydrophobicContact CZ-CG1 3.68Å |
| 63 | D | 97.7 | Very high | 95.4 | Very high | 59 Ų | 59 | 63.3 Ų | 63.3 | 32% | 0.316 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 105.8 | 174.9 | 170.3 | 30 | 0 | 0 | 0 | 110.5 | S65 S66 S75 | D63-S65 VanDerWaalsContact CG-OG 3.25Å; D63-S65 PolarHBondContact O-N 3.39Å; D63-S65 WeakPolarHBondContact OD1-CB 3.48Å; D63-S65 PolarHBondContact OD1-N 3.37Å; D63-S65 VanDerWaalsContact OD1-N 3.1Å; D63-S65 PolarHBondContact OD1-OG 3.13Å; D63-S65 PolarHBondContact OD2-OG 3.06Å; D63-S65 VanDerWaalsContact OD2-OG 3.09Å; D63-S66 PolarHBondContact O-N 3.02Å; D63-S66 PolarHBondContact OD2-OG 3.11Å; D63-S75 WeakPolarHBondContact OD1-CB 3.23Å; D63-S75 PolarHBondContact OD1-OG 3.15Å |
| 64 | G | 97.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | G | 310 helix | trans | -68.9 | -18.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F62 S66 T67 L68 Q69 S70 S75 | F62-G64 PolarHBondContact O-N 2.89Å; G64-S66 PolarHBondContact O-N 3.01Å; G64-T67 WeakPolarHBondContact CA-OG1 3.46Å; G64-T67 PolarHBondContact O-N 3Å; G64-T67 PolarHBondContact O-OG1 2.96Å; G64-T67 VanDerWaalsContact O-OG1 3.06Å; G64-L68 PolarHBondContact O-N 3.47Å; G64-Q69 PolarHBondContact O-N 2.74Å; G64-S70 VanDerWaalsContact CA-OG 3.32Å; G64-S70 WeakPolarHBondContact CA-OG 3.33Å; G64-S70 PolarHBondContact O-N 3.32Å; G64-S75 WeakPolarHBondContact CA-O 3.29Å; G64-S75 PolarHBondContact N-O 3.28Å |
| 65 | S | 96.6 | Very high | 94.7 | Very high | 54 Ų | 54 | 64.8 Ų | 64.8 | 38% | 0.378 | 37% | 0.366 | S | S | . | . | G | 310 helix | trans | -69.7 | -27.6 | 177.5 | 72.7 | 0 | 0 | 0 | 0 | 111.2 | D63 T67 S70 | D63-S65 VanDerWaalsContact CG-OG 3.25Å; D63-S65 PolarHBondContact O-N 3.39Å; D63-S65 WeakPolarHBondContact OD1-CB 3.48Å; D63-S65 PolarHBondContact OD1-N 3.37Å; D63-S65 VanDerWaalsContact OD1-N 3.1Å; D63-S65 PolarHBondContact OD1-OG 3.13Å; D63-S65 PolarHBondContact OD2-OG 3.06Å; D63-S65 VanDerWaalsContact OD2-OG 3.09Å; S65-T67 VanDerWaalsContact C-N 3.26Å; S65-T67 PolarHBondContact O-N 2.82Å; S65-S70 VanDerWaalsContact CA-O 3.31Å; S65-S70 WeakPolarHBondContact CA-O 3.03Å; S65-S70 PolarHBondContact N-OG 2.95Å |
| 66 | S | 97.4 | Very high | 94.6 | Very high | 79 Ų | 79 | 61.8 Ų | 61.8 | 55% | 0.552 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -81.9 | 1.4 | 175.5 | -64.7 | 0 | 0 | 0 | 0 | 113.8 | R41 D63 G64 | R41-S66 PolarHBondContact NH1-O 2.78Å; D63-S66 PolarHBondContact O-N 3.02Å; D63-S66 PolarHBondContact OD2-OG 3.11Å; G64-S66 PolarHBondContact O-N 3.01Å |
| 67 | T | 97.5 | Very high | 94.6 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -131.7 | 12.8 | -175.5 | 65.2 | 0 | 0 | 0 | 0 | 113.9 | W32 G35 R41 F62 G64 S65 Q69 | W32-T67 HydrophobicContact CZ2-CG2 4.43Å; G35-T67 PolarHBondContact N-O 3.19Å; R41-T67 HydrophobicContact CG-CG2 4.33Å; F62-T67 HydrophobicContact CD2-CG2 3.96Å; F62-T67 HydrophobicContact CE2-CG2 3.87Å; F62-T67 WeakPolarHBondContact CE2-OG1 3.25Å; G64-T67 WeakPolarHBondContact CA-OG1 3.46Å; G64-T67 PolarHBondContact O-N 3Å; G64-T67 PolarHBondContact O-OG1 2.96Å; G64-T67 VanDerWaalsContact O-OG1 3.06Å; S65-T67 VanDerWaalsContact C-N 3.26Å; S65-T67 PolarHBondContact O-N 2.82Å; T67-Q69 VanDerWaalsContact C-N 3.32Å; T67-Q69 PolarHBondContact OG1-OE1 3.41Å |
| 68 | L | 96.6 | Very high | 94.6 | Very high | 130 Ų | 130 | 60 Ų | 60 | 68% | 0.681 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 30.1 | -175.8 | -51.8 | 174 | 0 | 0 | 0 | 113.8 | G35 T36 G64 | G35-L68 WeakPolarHBondContact CA-O 3.36Å; T36-L68 HydrophobicContact CG2-CD1 3.78Å; G64-L68 PolarHBondContact O-N 3.47Å |
| 69 | Q | 96.2 | Very high | 94.6 | Very high | 18 Ų | 18 | 57.9 Ų | 57.9 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -119.3 | -9.1 | -173.9 | -66.4 | 174.8 | -68.3 | 0 | 0 | 114.6 | I33 G35 G64 T67 M77 T111 | I33-Q69 PolarHBondContact O-NE2 3.15Å; I33-Q69 VanDerWaalsContact O-NE2 3.11Å; G35-Q69 VanDerWaalsContact N-CG 3.3Å; G64-Q69 PolarHBondContact O-N 2.74Å; T67-Q69 VanDerWaalsContact C-N 3.32Å; T67-Q69 PolarHBondContact OG1-OE1 3.41Å; Q69-M77 HydrophobicContact CB-CE 3.91Å; Q69-M77 HydrophobicContact CB-SD 3.27Å; Q69-M77 WeakPolarHBondContact CB-SD 3.37Å; Q69-M77 HydrophobicContact CG-SD 4.28Å; Q69-T111 PolarHBondContact NE2-OG1 3.39Å |
| 70 | S | 91.5 | Very high | 94.6 | Very high | 34 Ų | 34 | 55.4 Ų | 55.4 | 24% | 0.238 | 32% | 0.32 | C | S | . | . | trans | -156.4 | 154.1 | 178.5 | 64.7 | 0 | 0 | 0 | 0 | 113.2 | G64 S65 S75 | G64-S70 VanDerWaalsContact CA-OG 3.32Å; G64-S70 WeakPolarHBondContact CA-OG 3.33Å; G64-S70 PolarHBondContact O-N 3.32Å; S65-S70 VanDerWaalsContact CA-O 3.31Å; S65-S70 WeakPolarHBondContact CA-O 3.03Å; S65-S70 PolarHBondContact N-OG 2.95Å; S70-S75 WeakPolarHBondContact OG-CA 3.38Å; S70-S75 WeakPolarHBondContact OG-CB 3.47Å; S70-S75 PolarHBondContact OG-O 3.05Å | ||
| 71 | E | 86.1 | Confident | 94.6 | Very high | 167 Ų | 167 | 54.1 Ų | 54.1 | 78% | 0.78 | 32% | 0.318 | S | S | * | . | trans | -80.4 | 155.5 | 167.1 | -62.4 | -179 | -175.4 | 0 | 0 | 111.6 | S73 N74 | E71-S73 VanDerWaalsContact C-N 3.3Å; E71-S73 PolarHBondContact O-N 3.48Å; E71-S73 VanDerWaalsContact O-N 3.12Å; E71-N74 PolarHBondContact O-N 3.22Å | ||
| 72 | G | 81.2 | Confident | 94.6 | Very high | 66 Ų | 66 | 51.8 Ų | 51.8 | 68% | 0.68 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -63.9 | -19.9 | -165.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 73 | S | 81.5 | Confident | 94.6 | Very high | 103 Ų | 103 | 51.8 Ų | 51.8 | 72% | 0.72 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -82 | -12.8 | -176.1 | 57.9 | 0 | 0 | 0 | 0 | 114.6 | E71 | E71-S73 VanDerWaalsContact C-N 3.3Å; E71-S73 PolarHBondContact O-N 3.48Å; E71-S73 VanDerWaalsContact O-N 3.12Å |
| 74 | N | 87.3 | Confident | 94.7 | Very high | 87 Ų | 87 | 51.4 Ų | 51.4 | 47% | 0.465 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -148.6 | 58.8 | 174.3 | -74 | -68 | 0 | 0 | 0 | 109.9 | E71 Y104 | E71-N74 PolarHBondContact O-N 3.22Å; N74-Y104 HydrophobicContact CB-CD1 3.7Å; N74-Y104 HydrophobicContact CB-CE1 3.84Å; N74-Y104 HydrophobicContact CB-CG 4.16Å |
| 75 | S | 93.6 | Very high | 94.8 | Very high | 25 Ų | 25 | 52.3 Ų | 52.3 | 18% | 0.175 | 31% | 0.311 | C | S | . | . | trans | -84.9 | -12.9 | -168.4 | 73.3 | 0 | 0 | 0 | 0 | 115.3 | D63 G64 S70 M77 | D63-S75 WeakPolarHBondContact OD1-CB 3.23Å; D63-S75 PolarHBondContact OD1-OG 3.15Å; G64-S75 WeakPolarHBondContact CA-O 3.29Å; G64-S75 PolarHBondContact N-O 3.28Å; S70-S75 WeakPolarHBondContact OG-CA 3.38Å; S70-S75 WeakPolarHBondContact OG-CB 3.47Å; S70-S75 PolarHBondContact OG-O 3.05Å; S75-M77 PolarHBondContact O-N 3.24Å | ||
| 76 | D | 95.9 | Very high | 94.9 | Very high | 88 Ų | 88 | 54 Ų | 54 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 124.9 | 176.6 | -80.6 | -44.2 | 0 | 0 | 0 | 111.4 | Y104 | D76-Y104 PolarHBondContact O-N 3.28Å |
| 77 | M | 98.1 | Very high | 94.9 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 154.7 | 173.7 | -61.2 | -168.3 | 87.5 | 0 | 0 | 110.2 | N61 F62 Q69 S75 V101 F102 K103 A109 | N61-M77 CarbonylContact C-O 3.45Å; N61-M77 WeakPolarHBondContact CA-O 3.44Å; N61-M77 VanDerWaalsContact CB-O 3.29Å; N61-M77 WeakPolarHBondContact CB-O 3.09Å; F62-M77 HydrophobicContact CD1-CB 4.13Å; F62-M77 HydrophobicContact CE1-CB 3.57Å; F62-M77 HydrophobicContact CE2-CB 4.13Å; F62-M77 HydrophobicContact CE2-SD 4.07Å; F62-M77 HydrophobicContact CZ-CB 3.58Å; F62-M77 HydrophobicContact CZ-CG 4.23Å; F62-M77 HydrophobicContact CZ-SD 3.77Å; F62-M77 PolarHBondContact N-O 3.18Å; F62-M77 PolarHBondContact O-N 3.17Å; Q69-M77 HydrophobicContact CB-CE 3.91Å; Q69-M77 HydrophobicContact CB-SD 3.27Å; Q69-M77 WeakPolarHBondContact CB-SD 3.37Å; Q69-M77 HydrophobicContact CG-SD 4.28Å; S75-M77 PolarHBondContact O-N 3.24Å; M77-V101 HydrophobicContact CB-CG1 4.43Å; M77-V101 HydrophobicContact CE-CG1 3.56Å; M77-V101 HydrophobicContact SD-CG1 4.13Å; M77-F102 CarbonylContact C-O 3.46Å; M77-F102 WeakPolarHBondContact CA-O 3.3Å; M77-F102 WeakPolarHBondContact CB-O 3.41Å; M77-K103 HydrophobicContact CE-CG 3.97Å; M77-A109 HydrophobicContact CE-CB 3.67Å |
| 78 | Y | 98.6 | Very high | 95 | Very high | 79 Ų | 79 | 51.3 Ų | 51.3 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 142.7 | -177.7 | -59.9 | -78.5 | 0 | 0 | 0 | 111.8 | W60 N61 V101 F102 K103 | W60-Y78 CarbonylContact O-C 3.57Å; W60-Y78 WeakPolarHBondContact O-CA 3.43Å; N61-Y78 HydrophobicContact CB-CD1 4.37Å; Y78-V101 WeakPolarHBondContact O-CA 3.41Å; Y78-F102 PolarHBondContact N-O 3.01Å; Y78-F102 PolarHBondContact O-N 2.88Å; Y78-K103 WeakPolarHBondContact CD2-O 3.39Å |
| 79 | L | 98.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 119.5 | 170.9 | -62.4 | 173 | 0 | 0 | 0 | 108.4 | Y30 W32 E59 W60 F62 C99 E100 V101 | Y30-L79 HydrophobicContact CD1-CB 4.35Å; Y30-L79 HydrophobicContact CD1-CD1 4.4Å; W32-L79 HydrophobicContact CB-CD2 3.7Å; W32-L79 HydrophobicContact CD2-CD1 4.32Å; W32-L79 HydrophobicContact CD2-CD2 3.8Å; W32-L79 HydrophobicContact CE3-CD1 3.85Å; W32-L79 HydrophobicContact CE3-CD2 4.06Å; W32-L79 HydrophobicContact CG-CD2 3.65Å; W32-L79 HydrophobicContact CZ3-CD1 4.06Å; E59-L79 WeakPolarHBondContact CA-O 3.44Å; W60-L79 HydrophobicContact CB-CB 4.35Å; W60-L79 HydrophobicContact CB-CD1 4.5Å; W60-L79 PolarHBondContact N-O 3.03Å; W60-L79 PolarHBondContact O-N 2.83Å; F62-L79 HydrophobicContact CD1-CD1 3.99Å; F62-L79 HydrophobicContact CD1-CD2 3.74Å; F62-L79 HydrophobicContact CD1-CG 3.64Å; F62-L79 HydrophobicContact CE1-CD2 3.49Å; F62-L79 VanDerWaalsContact CE1-CD2 3.49Å; F62-L79 HydrophobicContact CE1-CG 3.88Å; L79-C99 HydrophobicContact CB-CB 3.99Å; L79-C99 HydrophobicContact CD2-CB 3.99Å; L79-E100 WeakPolarHBondContact CA-O 3.35Å; L79-V101 HydrophobicContact CD2-CG2 4.17Å |
| 80 | V | 98.9 | Very high | 95.2 | Very high | 39 Ų | 39 | 48.8 Ų | 48.8 | 24% | 0.236 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 117.2 | 174.6 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | E59 A82 C99 E100 F102 | E59-V80 HydrophobicContact CG-CG2 4.31Å; V80-A82 PolarHBondContact O-N 2.83Å; V80-C99 CarbonylContact O-C 3.46Å; V80-C99 VanDerWaalsContact O-CA 3.27Å; V80-C99 WeakPolarHBondContact O-CA 3.37Å; V80-E100 PolarHBondContact N-O 2.83Å; V80-E100 PolarHBondContact O-N 3.42Å; V80-F102 HydrophobicContact CB-CD2 4.15Å; V80-F102 HydrophobicContact CB-CE2 3.85Å; V80-F102 HydrophobicContact CG2-CD2 3.53Å; V80-F102 HydrophobicContact CG2-CE2 3.62Å |
| 81 | P | 98.9 | Very high | 95.6 | Very high | 22 Ų | 22 | 53.4 Ų | 53.4 | 14% | 0.143 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 131.5 | 177.3 | -29.2 | 37.1 | 0 | 0 | 0 | 112.5 | Y30 V54 L57 V97 | Y30-P81 HydrophobicContact CE1-CG 3.89Å; V54-P81 HydrophobicContact CG2-CB 3.77Å; L57-P81 HydrophobicContact CB-CB 3.91Å; L57-P81 HydrophobicContact CB-CG 3.67Å; L57-P81 HydrophobicContact CD1-CB 4.12Å; P81-V97 HydrophobicContact CB-CG1 3.8Å; P81-V97 HydrophobicContact CG-CG1 4.21Å |
| 82 | A | 98.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 48.7 Ų | 48.7 | 15% | 0.149 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | -39.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V80 L98 E100 R114 | V80-A82 PolarHBondContact O-N 2.83Å; A82-L98 WeakPolarHBondContact CB-O 3.48Å; A82-L98 PolarHBondContact N-O 2.85Å; A82-E100 HydrophobicContact CB-CG 4.35Å; A82-R114 VanDerWaalsContact CB-CZ 3.48Å; A82-R114 PolarHBondContact O-NH2 2.98Å |
| 83 | A | 98.8 | Very high | 97 | Very high | 13 Ų | 13 | 47.1 Ų | 47.1 | 11% | 0.107 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 149.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | F85 V97 L98 D216 | A83-F85 HydrophobicContact CB-CE2 3.76Å; A83-F85 HydrophobicContact CB-CZ 4.37Å; A83-V97 CarbonylContact O-C 3.5Å; A83-V97 WeakPolarHBondContact O-CA 3.38Å; A83-L98 HydrophobicContact CB-CB 4.26Å; A83-L98 PolarHBondContact N-O 3.28Å; A83-L98 PolarHBondContact O-N 2.98Å; A83-D216 HydrophobicContact CB-CB 4.11Å |
| 84 | M | 98.8 | Very high | 97.8 | Very high | 50 Ų | 50 | 42.2 Ų | 42.2 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135 | -177.9 | -177.9 | 173.7 | 62.5 | 0 | 0 | 110.8 | P51 L57 K95 L96 | P51-M84 HydrophobicContact CB-SD 4.22Å; P51-M84 HydrophobicContact CG-SD 3.75Å; L57-M84 HydrophobicContact CD1-CB 4.21Å; L57-M84 HydrophobicContact CD1-CG 4.23Å; L57-M84 HydrophobicContact CD1-SD 3.81Å; L57-M84 HydrophobicContact CD2-SD 4.5Å; L57-M84 HydrophobicContact CG-SD 4.32Å; M84-K95 HydrophobicContact CG-CB 4.21Å; M84-K95 HydrophobicContact CG-CD 4.19Å; M84-K95 HydrophobicContact CG-CG 4.32Å; M84-K95 HydrophobicContact SD-CB 4.33Å; M84-K95 HydrophobicContact SD-CD 3.96Å; M84-K95 HydrophobicContact SD-CG 3.92Å; M84-L96 WeakPolarHBondContact CA-O 3.47Å |
| 85 | F | 98.9 | Very high | 98.4 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 161 | 179.5 | -61.2 | -91.4 | 0 | 0 | 0 | 110.4 | A83 K95 L96 A186 V188 H217 V220 | A83-F85 HydrophobicContact CB-CE2 3.76Å; A83-F85 HydrophobicContact CB-CZ 4.37Å; F85-K95 WeakPolarHBondContact O-CA 3.37Å; F85-L96 HydrophobicContact CB-CB 4.28Å; F85-L96 PolarHBondContact N-O 3.45Å; F85-L96 PolarHBondContact O-N 3.47Å; F85-A186 HydrophobicContact CB-CB 4.43Å; F85-V188 HydrophobicContact CD1-CG2 4.08Å; F85-V188 HydrophobicContact CE1-CG2 4.13Å; F85-H217 AromaticContact CE1-CE1 3.67Å; F85-H217 AromaticContact CE1-ND1 3.67Å; F85-V220 HydrophobicContact CD2-CB 4.28Å; F85-V220 HydrophobicContact CD2-CG1 3.91Å; F85-V220 HydrophobicContact CD2-CG2 3.85Å; F85-V220 HydrophobicContact CE2-CB 4.09Å; F85-V220 HydrophobicContact CE2-CG1 4.21Å; F85-V220 HydrophobicContact CE2-CG2 3.6Å; F85-V220 HydrophobicContact CG-CG1 4.13Å; F85-V220 HydrophobicContact CZ-CB 4.5Å; F85-V220 HydrophobicContact CZ-CG2 4.39Å |
| 86 | R | 98.9 | Very high | 98.6 | Very high | 89 Ų | 89 | 37.6 Ų | 37.6 | 34% | 0.336 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 142.7 | 170.4 | -62.6 | 165.5 | 65.8 | -154.5 | 16 | 109.3 | P88 D92 Y185 A186 | R86-P88 VanDerWaalsContact O-CD 3.25Å; R86-P88 WeakPolarHBondContact O-CD 3.43Å; R86-D92 IonicContact CZ-OD1 3.06Å; R86-D92 IonicContact CZ-OD2 3.96Å; R86-D92 VanDerWaalsContact CZ-OD2 3.26Å; R86-D92 VanDerWaalsContact NE-CG 3.35Å; R86-D92 IonicContact NE-OD1 2.72Å; R86-D92 PolarHBondContact NE-OD1 3.24Å; R86-D92 IonicContact NE-OD2 2.95Å; R86-D92 PolarHBondContact NE-OD2 3.49Å; R86-D92 IonicContact NH2-OD1 3.19Å; R86-D92 IonicContact NH2-OD2 3.54Å; R86-D92 PolarHBondContact NH2-OD2 2.75Å; R86-Y185 HydrophobicContact CB-CD1 4.16Å; R86-Y185 HydrophobicContact CB-CE1 3.81Å; R86-Y185 WeakPolarHBondContact CD-O 3.35Å; R86-Y185 VanDerWaalsContact CZ-CZ 3.47Å; R86-Y185 PolarHBondContact NH1-O 2.78Å; R86-Y185 PolarHBondContact NH2-OH 2.8Å; R86-A186 PolarHBondContact N-O 2.91Å; R86-A186 WeakPolarHBondContact O-CA 3.36Å; R86-A186 WeakPolarHBondContact O-CB 3.45Å |
| 87 | D | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -83.5 | 110.4 | 178.5 | -172.4 | -30.9 | 0 | 0 | 0 | 110.9 | F89 R90 K91 N94 L96 | D87-F89 PolarHBondContact O-N 2.76Å; D87-F89 WeakPolarHBondContact OD1-CA 3.36Å; D87-F89 VanDerWaalsContact OD1-CB 3.28Å; D87-F89 WeakPolarHBondContact OD1-CB 3.28Å; D87-F89 WeakPolarHBondContact OD1-CD2 3.27Å; D87-F89 PolarHBondContact OD1-N 2.9Å; D87-R90 HydrophobicContact CB-CB 4.36Å; D87-R90 PolarHBondContact OD1-N 2.87Å; D87-R90 WeakPolarHBondContact OD2-CD 3.42Å; D87-R90 IonicContact OD2-NH1 3.76Å; D87-K91 WeakPolarHBondContact O-CA 3.38Å; D87-K91 PolarHBondContact O-N 3.12Å; D87-N94 HydrophobicContact CB-CB 3.9Å; D87-N94 WeakPolarHBondContact CB-O 3.35Å; D87-N94 PolarHBondContact N-O 2.81Å; D87-L96 HydrophobicContact CB-CD2 4.03Å; D87-L96 HydrophobicContact CB-CG 4.2Å | ||
| 88 | P | 98.9 | Very high | 98.8 | Very high | 28 Ų | 28 | 33.5 Ų | 33.5 | 18% | 0.182 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -13.6 | 179.9 | 32.5 | -34.8 | 0 | 0 | 0 | 113.2 | R86 A182 Y185 A186 I224 | R86-P88 VanDerWaalsContact O-CD 3.25Å; R86-P88 WeakPolarHBondContact O-CD 3.43Å; P88-A182 HydrophobicContact CB-CB 3.74Å; P88-A182 HydrophobicContact CG-CB 3.91Å; P88-Y185 HydrophobicContact CB-CD1 3.97Å; P88-A186 HydrophobicContact CG-CB 4.48Å; P88-I224 HydrophobicContact CG-CD1 4.34Å; P88-I224 HydrophobicContact CG-CG1 4.39Å |
| 89 | F | 98.8 | Very high | 98.8 | Very high | 39 Ų | 39 | 30.1 Ų | 30.1 | 17% | 0.171 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -28.7 | -179.4 | -47.8 | -70.8 | 0 | 0 | 0 | 112.1 | M18 D87 L96 F223 I224 R227 V228 | M18-F89 WeakPolarHBondContact CE-O 3.47Å; D87-F89 PolarHBondContact O-N 2.76Å; D87-F89 WeakPolarHBondContact OD1-CA 3.36Å; D87-F89 VanDerWaalsContact OD1-CB 3.28Å; D87-F89 WeakPolarHBondContact OD1-CB 3.28Å; D87-F89 WeakPolarHBondContact OD1-CD2 3.27Å; D87-F89 PolarHBondContact OD1-N 2.9Å; F89-L96 HydrophobicContact CE2-CD1 4.48Å; F89-F223 HydrophobicContact CE2-CE1 4.35Å; F89-I224 HydrophobicContact CE2-CG1 4.31Å; F89-I224 HydrophobicContact CZ-CB 4.27Å; F89-I224 HydrophobicContact CZ-CG1 4.26Å; F89-I224 HydrophobicContact CZ-CG2 3.98Å; F89-R227 HydrophobicContact CD1-CB 4.31Å; F89-R227 HydrophobicContact CD2-CB 4.47Å; F89-R227 HydrophobicContact CE1-CB 3.53Å; F89-R227 HydrophobicContact CE2-CB 3.72Å; F89-R227 HydrophobicContact CE2-CG 3.9Å; F89-R227 HydrophobicContact CZ-CB 3.2Å; F89-R227 HydrophobicContact CZ-CG 3.93Å; F89-V228 HydrophobicContact CE1-CG2 4Å |
| 90 | R | 98.8 | Very high | 98.8 | Very high | 56 Ų | 56 | 31 Ų | 31 | 21% | 0.211 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | -7.4 | -178.8 | -63.6 | 173.9 | 174.4 | 155.3 | -5 | 114.1 | M18 T44 D87 N94 | M18-R90 HydrophobicContact CE-CB 4.43Å; M18-R90 HydrophobicContact CE-CG 4.12Å; T44-R90 PolarHBondContact OG1-NH1 3.27Å; T44-R90 PolarHBondContact OG1-NH2 3.48Å; D87-R90 HydrophobicContact CB-CB 4.36Å; D87-R90 PolarHBondContact OD1-N 2.87Å; D87-R90 WeakPolarHBondContact OD2-CD 3.42Å; D87-R90 IonicContact OD2-NH1 3.76Å; R90-N94 HydrophobicContact CB-CB 3.79Å; R90-N94 PolarHBondContact O-ND2 2.73Å |
| 91 | K | 98.8 | Very high | 98.8 | Very high | 132 Ų | 132 | 29.4 Ų | 29.4 | 57% | 0.574 | 15% | 0.145 | S | C | * | . | trans | 61.7 | 175.5 | -176.5 | -53.6 | 178.1 | -178.6 | 178 | 0 | 112.6 | D87 N94 Y185 | D87-K91 WeakPolarHBondContact O-CA 3.38Å; D87-K91 PolarHBondContact O-N 3.12Å; K91-N94 WeakPolarHBondContact O-CB 3.38Å; K91-N94 PolarHBondContact O-N 3.33Å; K91-N94 PolarHBondContact O-ND2 2.92Å; K91-Y185 WeakPolarHBondContact CA-OH 3.42Å | ||
| 92 | D | 98.7 | Very high | 98.8 | Very high | 67 Ų | 67 | 29.6 Ų | 29.6 | 36% | 0.358 | 14% | 0.143 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 144.4 | 174 | -63.6 | -15.5 | 0 | 0 | 0 | 109.6 | R86 Y185 | R86-D92 IonicContact CZ-OD1 3.06Å; R86-D92 IonicContact CZ-OD2 3.96Å; R86-D92 VanDerWaalsContact CZ-OD2 3.26Å; R86-D92 VanDerWaalsContact NE-CG 3.35Å; R86-D92 IonicContact NE-OD1 2.72Å; R86-D92 PolarHBondContact NE-OD1 3.24Å; R86-D92 IonicContact NE-OD2 2.95Å; R86-D92 PolarHBondContact NE-OD2 3.49Å; R86-D92 IonicContact NH2-OD1 3.19Å; R86-D92 IonicContact NH2-OD2 3.54Å; R86-D92 PolarHBondContact NH2-OD2 2.75Å; D92-Y185 PolarHBondContact N-OH 2.73Å; D92-Y185 PolarHBondContact OD1-OH 2.89Å; D92-Y185 PolarHBondContact OD2-OH 3.46Å |
| 93 | P | 98.6 | Very high | 98.8 | Very high | 34 Ų | 34 | 31.3 Ų | 31.3 | 22% | 0.221 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -86.7 | 9 | 9.6 | 34.9 | -37.5 | 0 | 0 | 0 | 115.5 | V26 E50 K95 | V26-P93 HydrophobicContact CB-CG 4.47Å; V26-P93 HydrophobicContact CG1-CB 4.31Å; V26-P93 HydrophobicContact CG1-CG 4.33Å; V26-P93 WeakPolarHBondContact CG1-O 3.23Å; V26-P93 HydrophobicContact CG2-CB 3.91Å; V26-P93 HydrophobicContact CG2-CG 3.65Å; E50-P93 HydrophobicContact CB-CB 4.01Å; E50-P93 HydrophobicContact CG-CB 3.91Å; P93-K95 WeakPolarHBondContact O-CE 3.25Å |
| 94 | N | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -72 | 153.9 | -169.7 | -51.9 | -69.5 | 0 | 0 | 0 | 113.7 | Q22 Q27 D87 R90 K91 | Q22-N94 PolarHBondContact NE2-OD1 2.98Å; Q22-N94 PolarHBondContact OE1-ND2 2.84Å; Q22-N94 PolarHBondContact OE1-OD1 3.38Å; Q27-N94 WeakPolarHBondContact CA-OD1 3.25Å; Q27-N94 HydrophobicContact CB-CB 4.32Å; Q27-N94 VanDerWaalsContact CB-OD1 3.23Å; Q27-N94 WeakPolarHBondContact CB-OD1 3.49Å; Q27-N94 WeakPolarHBondContact CG-OD1 3.17Å; Q27-N94 PolarHBondContact N-OD1 3.4Å; Q27-N94 WeakPolarHBondContact O-CA 3.48Å; Q27-N94 WeakPolarHBondContact O-CB 3.24Å; D87-N94 HydrophobicContact CB-CB 3.9Å; D87-N94 WeakPolarHBondContact CB-O 3.35Å; D87-N94 PolarHBondContact N-O 2.81Å; R90-N94 HydrophobicContact CB-CB 3.79Å; R90-N94 PolarHBondContact O-ND2 2.73Å; K91-N94 WeakPolarHBondContact O-CB 3.38Å; K91-N94 PolarHBondContact O-N 3.33Å; K91-N94 PolarHBondContact O-ND2 2.92Å | ||
| 95 | K | 98.9 | Very high | 98.5 | Very high | 15 Ų | 15 | 37.5 Ų | 37.5 | 7% | 0.065 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143.8 | -170.6 | -52.9 | -61.2 | 175.4 | -161.5 | 0 | 113 | Q27 M29 E50 P51 M84 F85 P93 V97 | Q27-K95 PolarHBondContact O-N 2.88Å; M29-K95 PolarHBondContact N-O 2.83Å; E50-K95 IonicContact OE1-NZ 2.63Å; E50-K95 PolarHBondContact OE1-NZ 3.14Å; P51-K95 HydrophobicContact CG-CG 3.88Å; M84-K95 HydrophobicContact CG-CB 4.21Å; M84-K95 HydrophobicContact CG-CD 4.19Å; M84-K95 HydrophobicContact CG-CG 4.32Å; M84-K95 HydrophobicContact SD-CB 4.33Å; M84-K95 HydrophobicContact SD-CD 3.96Å; M84-K95 HydrophobicContact SD-CG 3.92Å; F85-K95 WeakPolarHBondContact O-CA 3.37Å; P93-K95 WeakPolarHBondContact O-CE 3.25Å; K95-V97 HydrophobicContact CB-CG2 4.37Å |
| 96 | L | 99 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 136.8 | 157.1 | -55.7 | -176 | 0 | 0 | 0 | 108.6 | M29 I31 M84 F85 D87 F89 V220 F223 I224 | M29-L96 HydrophobicContact CB-CD2 3.99Å; M29-L96 HydrophobicContact CG-CD2 4.39Å; M29-L96 CarbonylContact O-C 3.56Å; M29-L96 HydrophobicContact SD-CD2 4.08Å; I31-L96 HydrophobicContact CD1-CB 3.85Å; I31-L96 HydrophobicContact CD1-CD1 4.31Å; I31-L96 HydrophobicContact CD1-CD2 4.31Å; I31-L96 HydrophobicContact CD1-CG 4.36Å; M84-L96 WeakPolarHBondContact CA-O 3.47Å; F85-L96 HydrophobicContact CB-CB 4.28Å; F85-L96 PolarHBondContact N-O 3.45Å; F85-L96 PolarHBondContact O-N 3.47Å; D87-L96 HydrophobicContact CB-CD2 4.03Å; D87-L96 HydrophobicContact CB-CG 4.2Å; F89-L96 HydrophobicContact CE2-CD1 4.48Å; L96-V220 HydrophobicContact CD1-CG1 4.33Å; L96-F223 HydrophobicContact CD1-CD1 4.31Å; L96-F223 HydrophobicContact CD1-CE1 4.45Å; L96-F223 HydrophobicContact CD2-CE1 4.23Å; L96-I224 HydrophobicContact CD1-CD1 4.35Å; L96-I224 HydrophobicContact CD1-CG1 4.12Å |
| 97 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 104.8 | -177.2 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | A28 M29 Y30 I31 L57 P81 A83 K95 | A28-V97 HydrophobicContact CB-CG2 4.34Å; M29-V97 PolarHBondContact O-N 3.39Å; Y30-V97 CarbonylContact C-O 3.56Å; Y30-V97 WeakPolarHBondContact CA-O 3.34Å; Y30-V97 HydrophobicContact CD1-CG1 4.38Å; Y30-V97 HydrophobicContact CD2-CB 4.1Å; Y30-V97 HydrophobicContact CD2-CG2 4.24Å; Y30-V97 HydrophobicContact CE1-CG1 4.33Å; Y30-V97 HydrophobicContact CE2-CB 4.29Å; Y30-V97 HydrophobicContact CE2-CG1 4.48Å; Y30-V97 HydrophobicContact CE2-CG2 4.11Å; Y30-V97 HydrophobicContact CG-CB 4.27Å; Y30-V97 HydrophobicContact CG-CG1 4.48Å; I31-V97 PolarHBondContact N-O 2.98Å; L57-V97 HydrophobicContact CD1-CB 4.25Å; L57-V97 HydrophobicContact CD1-CG1 3.65Å; L57-V97 HydrophobicContact CD1-CG2 3.57Å; L57-V97 HydrophobicContact CD2-CG2 4Å; L57-V97 HydrophobicContact CG-CG2 4.44Å; P81-V97 HydrophobicContact CB-CG1 3.8Å; P81-V97 HydrophobicContact CG-CG1 4.21Å; A83-V97 CarbonylContact O-C 3.5Å; A83-V97 WeakPolarHBondContact O-CA 3.38Å; K95-V97 HydrophobicContact CB-CG2 4.37Å |
| 98 | L | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 136.4 | 169.5 | -177.2 | 66.4 | 0 | 0 | 0 | 108.7 | I31 A82 A83 D216 W219 V220 | I31-L98 HydrophobicContact CG2-CD1 4.41Å; A82-L98 WeakPolarHBondContact CB-O 3.48Å; A82-L98 PolarHBondContact N-O 2.85Å; A83-L98 HydrophobicContact CB-CB 4.26Å; A83-L98 PolarHBondContact N-O 3.28Å; A83-L98 PolarHBondContact O-N 2.98Å; L98-D216 HydrophobicContact CD2-CB 3.98Å; L98-W219 HydrophobicContact CD1-CB 4.4Å; L98-V220 HydrophobicContact CB-CG2 3.98Å; L98-V220 HydrophobicContact CD1-CG2 4.45Å; L98-V220 HydrophobicContact CD2-CG2 4.29Å; L98-V220 HydrophobicContact CG-CG2 4.48Å |
| 99 | C | 98.9 | Very high | 98.2 | Very high | 8 Ų | 8 | 47.9 Ų | 47.9 | 5% | 0.054 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 147.3 | -177.1 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | Y30 I31 L79 V80 | Y30-C99 WeakPolarHBondContact CD1-SG 3.33Å; I31-C99 PolarHBondContact O-N 2.87Å; L79-C99 HydrophobicContact CB-CB 3.99Å; L79-C99 HydrophobicContact CD2-CB 3.99Å; V80-C99 CarbonylContact O-C 3.46Å; V80-C99 VanDerWaalsContact O-CA 3.27Å; V80-C99 WeakPolarHBondContact O-CA 3.37Å |
| 100 | E | 98.9 | Very high | 98.2 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 9% | 0.093 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 149.6 | 158.5 | -77.6 | -169.7 | -138.3 | 0 | 0 | 110.8 | L79 V80 A82 F102 N112 R114 H115 | L79-E100 WeakPolarHBondContact CA-O 3.35Å; V80-E100 PolarHBondContact N-O 2.83Å; V80-E100 PolarHBondContact O-N 3.42Å; A82-E100 HydrophobicContact CB-CG 4.35Å; E100-F102 HydrophobicContact CB-CD2 4.29Å; E100-F102 HydrophobicContact CB-CE2 3.54Å; E100-F102 HydrophobicContact CB-CZ 4.22Å; E100-F102 WeakPolarHBondContact OE2-CZ 3.23Å; E100-N112 PolarHBondContact OE2-ND2 2.89Å; E100-N112 VanDerWaalsContact OE2-ND2 3.12Å; E100-N112 PolarHBondContact OE2-OD1 3.26Å; E100-R114 HydrophobicContact CG-CB 4.12Å; E100-R114 HydrophobicContact CG-CG 4.19Å; E100-R114 IonicContact OE1-CZ 2.59Å; E100-R114 IonicContact OE1-NH1 2.9Å; E100-R114 PolarHBondContact OE1-NH1 3.28Å; E100-H115 IonicContact OE2-CG 3.13Å; E100-H115 IonicContact OE2-ND1 2.94Å |
| 101 | V | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.03 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 128 | -179.8 | -174.3 | 0 | 0 | 0 | 0 | 110.2 | W32 F62 M77 Y78 L79 A109 N112 | W32-V101 HydrophobicContact CB-CG2 3.75Å; W32-V101 HydrophobicContact CG-CG2 4.07Å; F62-V101 HydrophobicContact CE1-CG1 3.89Å; F62-V101 HydrophobicContact CZ-CG1 3.68Å; M77-V101 HydrophobicContact CB-CG1 4.43Å; M77-V101 HydrophobicContact CE-CG1 3.56Å; M77-V101 HydrophobicContact SD-CG1 4.13Å; Y78-V101 WeakPolarHBondContact O-CA 3.41Å; L79-V101 HydrophobicContact CD2-CG2 4.17Å; V101-A109 HydrophobicContact CB-CB 3.97Å; V101-A109 HydrophobicContact CG1-CB 3.76Å; V101-A109 PolarHBondContact O-N 3.12Å; V101-N112 WeakPolarHBondContact O-CB 3.49Å; V101-N112 PolarHBondContact O-ND2 3.45Å |
| 102 | F | 98.5 | Very high | 98.2 | Very high | 26 Ų | 26 | 44.7 Ų | 44.7 | 11% | 0.114 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 147 | 176 | -64.4 | -94 | 0 | 0 | 0 | 110.9 | M77 Y78 V80 E100 R106 R107 P108 H115 | M77-F102 CarbonylContact C-O 3.46Å; M77-F102 WeakPolarHBondContact CA-O 3.3Å; M77-F102 WeakPolarHBondContact CB-O 3.41Å; Y78-F102 PolarHBondContact N-O 3.01Å; Y78-F102 PolarHBondContact O-N 2.88Å; V80-F102 HydrophobicContact CB-CD2 4.15Å; V80-F102 HydrophobicContact CB-CE2 3.85Å; V80-F102 HydrophobicContact CG2-CD2 3.53Å; V80-F102 HydrophobicContact CG2-CE2 3.62Å; E100-F102 HydrophobicContact CB-CD2 4.29Å; E100-F102 HydrophobicContact CB-CE2 3.54Å; E100-F102 HydrophobicContact CB-CZ 4.22Å; E100-F102 WeakPolarHBondContact OE2-CZ 3.23Å; F102-R106 WeakPolarHBondContact CD1-O 3.3Å; F102-R107 CarbonylContact C-O 3.58Å; F102-R107 WeakPolarHBondContact CA-O 3.45Å; F102-P108 HydrophobicContact CD1-CG 4.41Å; F102-P108 HydrophobicContact CE1-CG 4.09Å; F102-H115 AromaticContact CZ-ND1 3.97Å |
| 103 | K | 97.7 | Very high | 98.2 | Very high | 53 Ų | 53 | 44.2 Ų | 44.2 | 23% | 0.23 | 20% | 0.203 | C | C | . | . | trans | -75.1 | 171.6 | 176.4 | -59.2 | -179 | -177.4 | -170.6 | 0 | 111.5 | M77 Y78 N105 R106 R107 E110 | M77-K103 HydrophobicContact CE-CG 3.97Å; Y78-K103 WeakPolarHBondContact CD2-O 3.39Å; K103-N105 PolarHBondContact O-N 3.37Å; K103-R106 WeakPolarHBondContact O-CA 3.4Å; K103-R106 PolarHBondContact O-N 3.27Å; K103-R107 PolarHBondContact N-O 3.37Å; K103-E110 WeakPolarHBondContact CE-OE1 3.35Å; K103-E110 WeakPolarHBondContact CE-OE2 3.22Å; K103-E110 IonicContact NZ-OE1 2.88Å; K103-E110 PolarHBondContact NZ-OE1 3.37Å; K103-E110 IonicContact NZ-OE2 2.69Å; K103-E110 PolarHBondContact NZ-OE2 3.3Å; K103-E110 VanDerWaalsContact NZ-OE2 3.13Å | ||
| 104 | Y | 95.4 | Very high | 98.2 | Very high | 123 Ų | 123 | 43.9 Ų | 43.9 | 48% | 0.482 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | -31.2 | 175.1 | 75.3 | -90.9 | 0 | 0 | 0 | 114.1 | N74 D76 R106 | N74-Y104 HydrophobicContact CB-CD1 3.7Å; N74-Y104 HydrophobicContact CB-CE1 3.84Å; N74-Y104 HydrophobicContact CB-CG 4.16Å; D76-Y104 PolarHBondContact O-N 3.28Å; Y104-R106 VanDerWaalsContact C-N 3.33Å |
| 105 | N | 95.7 | Very high | 98.2 | Very high | 70 Ų | 70 | 46.8 Ų | 46.8 | 37% | 0.374 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 14.4 | 178.8 | 64.5 | 13.6 | 0 | 0 | 0 | 114.1 | K103 R107 | K103-N105 PolarHBondContact O-N 3.37Å; N105-R107 PolarHBondContact O-N 3.14Å; N105-R107 VanDerWaalsContact O-N 3.15Å; N105-R107 VanDerWaalsContact OD1-CB 3.3Å; N105-R107 WeakPolarHBondContact OD1-CB 3.4Å; N105-R107 WeakPolarHBondContact OD1-CG 3.49Å; N105-R107 PolarHBondContact OD1-N 3.22Å; N105-R107 VanDerWaalsContact OD1-N 3.11Å |
| 106 | R | 97 | Very high | 98.1 | Very high | 129 Ų | 129 | 48.5 Ų | 48.5 | 49% | 0.487 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 57.9 | 18.4 | -177.2 | -45.1 | -141.9 | 87.8 | -171.9 | -0.1 | 115.4 | E59 F102 K103 Y104 | E59-R106 IonicContact OE1-CZ 2.84Å; E59-R106 IonicContact OE1-NH1 3.26Å; E59-R106 PolarHBondContact OE1-NH1 3.09Å; E59-R106 IonicContact OE1-NH2 3.65Å; E59-R106 PolarHBondContact OE1-NH2 3.21Å; E59-R106 IonicContact OE2-CZ 3.75Å; E59-R106 IonicContact OE2-NH1 3.4Å; E59-R106 IonicContact OE2-NH2 2.76Å; E59-R106 PolarHBondContact OE2-NH2 3.07Å; F102-R106 WeakPolarHBondContact CD1-O 3.3Å; K103-R106 WeakPolarHBondContact O-CA 3.4Å; K103-R106 PolarHBondContact O-N 3.27Å; Y104-R106 VanDerWaalsContact C-N 3.33Å |
| 107 | R | 97.4 | Very high | 98.1 | Very high | 175 Ų | 175 | 48.5 Ų | 48.5 | 66% | 0.66 | 22% | 0.222 | S | C | * | . | P | Polyproline II helix | trans | -81.6 | 149.7 | 165.9 | -64 | -174.3 | 178.2 | -177.1 | 0.3 | 110.4 | F102 K103 N105 | F102-R107 CarbonylContact C-O 3.58Å; F102-R107 WeakPolarHBondContact CA-O 3.45Å; K103-R107 PolarHBondContact N-O 3.37Å; N105-R107 PolarHBondContact O-N 3.14Å; N105-R107 VanDerWaalsContact O-N 3.15Å; N105-R107 VanDerWaalsContact OD1-CB 3.3Å; N105-R107 WeakPolarHBondContact OD1-CB 3.4Å; N105-R107 WeakPolarHBondContact OD1-CG 3.49Å; N105-R107 PolarHBondContact OD1-N 3.22Å; N105-R107 VanDerWaalsContact OD1-N 3.11Å |
| 108 | P | 98.3 | Very high | 98.1 | Very high | 45 Ų | 45 | 52 Ų | 52 | 29% | 0.292 | 24% | 0.237 | S | C | . | . | B | Isolated β-bridge | trans | -55.8 | 144.5 | 174.5 | -22.5 | 32.4 | 0 | 0 | 0 | 111.7 | F102 N112 H115 | F102-P108 HydrophobicContact CD1-CG 4.41Å; F102-P108 HydrophobicContact CE1-CG 4.09Å; P108-N112 HydrophobicContact CB-CB 4.09Å; P108-H115 HydrophobicContact CB-CB 4.24Å; P108-H115 HydrophobicContact CG-CB 4.1Å; P108-H115 VanDerWaalsContact CG-CD2 3.42Å; P108-H115 WeakPolarHBondContact CG-CD2 3.49Å |
| 109 | A | 98.1 | Very high | 98.1 | Very high | 6 Ų | 6 | 55.9 Ų | 55.9 | 5% | 0.05 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 160 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111 | M77 V101 T111 N112 | M77-A109 HydrophobicContact CE-CB 3.67Å; V101-A109 HydrophobicContact CB-CB 3.97Å; V101-A109 HydrophobicContact CG1-CB 3.76Å; V101-A109 PolarHBondContact O-N 3.12Å; A109-T111 PolarHBondContact O-N 2.86Å; A109-N112 HydrophobicContact CB-CB 4.24Å; A109-N112 WeakPolarHBondContact O-CB 3.48Å; A109-N112 PolarHBondContact O-N 3.17Å |
| 110 | E | 97.9 | Very high | 98 | Very high | 127 Ų | 127 | 55.8 Ų | 55.8 | 59% | 0.593 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -40.2 | 178.5 | -74.8 | 72.9 | -173.4 | 0 | 0 | 111.8 | K103 | K103-E110 WeakPolarHBondContact CE-OE1 3.35Å; K103-E110 WeakPolarHBondContact CE-OE2 3.22Å; K103-E110 IonicContact NZ-OE1 2.88Å; K103-E110 PolarHBondContact NZ-OE1 3.37Å; K103-E110 IonicContact NZ-OE2 2.69Å; K103-E110 PolarHBondContact NZ-OE2 3.3Å; K103-E110 VanDerWaalsContact NZ-OE2 3.13Å |
| 111 | T | 98.5 | Very high | 98 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 13% | 0.129 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | 3.7 | 179.1 | 56 | 0 | 0 | 0 | 0 | 113.4 | D34 Q69 A109 L113 | D34-T111 WeakPolarHBondContact O-CB 3.37Å; D34-T111 WeakPolarHBondContact O-CG2 3.48Å; D34-T111 PolarHBondContact O-OG1 3.26Å; Q69-T111 PolarHBondContact NE2-OG1 3.39Å; A109-T111 PolarHBondContact O-N 2.86Å; T111-L113 PolarHBondContact O-N 3.46Å |
| 112 | N | 98.7 | Very high | 98 | Very high | 11 Ų | 11 | 58.6 Ų | 58.6 | 6% | 0.059 | 27% | 0.266 | C | S | . | . | trans | -82.5 | 68.5 | 173 | -175.2 | 4.5 | 0 | 0 | 0 | 110.8 | E100 V101 P108 A109 R114 H115 | E100-N112 PolarHBondContact OE2-ND2 2.89Å; E100-N112 VanDerWaalsContact OE2-ND2 3.12Å; E100-N112 PolarHBondContact OE2-OD1 3.26Å; V101-N112 WeakPolarHBondContact O-CB 3.49Å; V101-N112 PolarHBondContact O-ND2 3.45Å; P108-N112 HydrophobicContact CB-CB 4.09Å; A109-N112 HydrophobicContact CB-CB 4.24Å; A109-N112 WeakPolarHBondContact O-CB 3.48Å; A109-N112 PolarHBondContact O-N 3.17Å; N112-R114 PolarHBondContact O-N 3.16Å; N112-H115 PolarHBondContact OD1-N 3.1Å | ||
| 113 | L | 98.8 | Very high | 98 | Very high | 58 Ų | 58 | 61.3 Ų | 61.3 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -74.4 | -17.8 | 176.6 | -55.7 | -172.3 | 0 | 0 | 0 | 112.5 | T111 H115 T116 C117 D347 F349 | T111-L113 PolarHBondContact O-N 3.46Å; L113-H115 PolarHBondContact O-N 2.85Å; L113-T116 PolarHBondContact O-OG1 3.24Å; L113-C117 VanDerWaalsContact O-CB 3.24Å; L113-C117 WeakPolarHBondContact O-CB 3.44Å; L113-C117 PolarHBondContact O-N 3.37Å; L113-C117 VanDerWaalsContact O-N 3.08Å; L113-D347 HydrophobicContact CD1-CB 4.23Å; L113-F349 HydrophobicContact CB-CB 4.09Å |
| 114 | R | 98.8 | Very high | 98 | Very high | 26 Ų | 26 | 58.9 Ų | 58.9 | 10% | 0.098 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.7 | -39.3 | 173.4 | -171.4 | 177.6 | -172.7 | -88.3 | 4.9 | 111.6 | A82 E100 N112 T116 C117 K118 I212 D216 F349 | A82-R114 VanDerWaalsContact CB-CZ 3.48Å; A82-R114 PolarHBondContact O-NH2 2.98Å; E100-R114 HydrophobicContact CG-CB 4.12Å; E100-R114 HydrophobicContact CG-CG 4.19Å; E100-R114 IonicContact OE1-CZ 2.59Å; E100-R114 IonicContact OE1-NH1 2.9Å; E100-R114 PolarHBondContact OE1-NH1 3.28Å; N112-R114 PolarHBondContact O-N 3.16Å; R114-T116 PolarHBondContact O-N 3.34Å; R114-C117 PolarHBondContact O-N 2.82Å; R114-K118 VanDerWaalsContact O-CB 3.25Å; R114-K118 WeakPolarHBondContact O-CB 3.49Å; R114-K118 PolarHBondContact O-N 2.83Å; R114-I212 HydrophobicContact CG-CD1 3.97Å; R114-I212 HydrophobicContact CG-CG1 4.25Å; R114-D216 IonicContact CZ-OD1 3.64Å; R114-D216 IonicContact CZ-OD2 3.43Å; R114-D216 IonicContact NE-OD1 2.71Å; R114-D216 PolarHBondContact NE-OD1 3.09Å; R114-D216 IonicContact NE-OD2 2.68Å; R114-D216 IonicContact NH2-OD1 3.37Å; R114-D216 PolarHBondContact NH2-OD1 2.77Å; R114-D216 IonicContact NH2-OD2 3.54Å; R114-D216 PolarHBondContact NH2-OD2 2.68Å; R114-F349 HydrophobicContact CB-CD1 4.16Å; R114-F349 HydrophobicContact CB-CD2 3.88Å; R114-F349 HydrophobicContact CB-CE1 4.04Å; R114-F349 HydrophobicContact CB-CE2 3.75Å; R114-F349 HydrophobicContact CB-CG 4.09Å; R114-F349 HydrophobicContact CB-CZ 3.85Å; R114-F349 HydrophobicContact CG-CD1 4.09Å; R114-F349 HydrophobicContact CG-CE1 3.64Å; R114-F349 HydrophobicContact CG-CE2 4.12Å; R114-F349 HydrophobicContact CG-CZ 3.67Å |
| 115 | H | 98.4 | Very high | 98.1 | Very high | 62 Ų | 62 | 56 Ų | 56 | 29% | 0.287 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -58.8 | -48.5 | -176.4 | -172.3 | 75.4 | 0 | 0 | 0 | 113.1 | E100 F102 P108 N112 L113 | E100-H115 IonicContact OE2-CG 3.13Å; E100-H115 IonicContact OE2-ND1 2.94Å; F102-H115 AromaticContact CZ-ND1 3.97Å; P108-H115 HydrophobicContact CB-CB 4.24Å; P108-H115 HydrophobicContact CG-CB 4.1Å; P108-H115 VanDerWaalsContact CG-CD2 3.42Å; P108-H115 WeakPolarHBondContact CG-CD2 3.49Å; N112-H115 PolarHBondContact OD1-N 3.1Å; L113-H115 PolarHBondContact O-N 2.85Å |
| 116 | T | 98.2 | Very high | 98.2 | Very high | 51 Ų | 51 | 58.2 Ų | 58.2 | 31% | 0.313 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72.5 | -42.3 | 176.5 | 47.1 | 0 | 0 | 0 | 0 | 111.3 | L113 R114 K118 R119 I120 E353 | L113-T116 PolarHBondContact O-OG1 3.24Å; R114-T116 PolarHBondContact O-N 3.34Å; T116-K118 VanDerWaalsContact C-N 3.3Å; T116-K118 PolarHBondContact O-N 2.94Å; T116-R119 WeakPolarHBondContact O-CB 3Å; T116-R119 PolarHBondContact O-N 3.21Å; T116-R119 VanDerWaalsContact O-N 3.16Å; T116-I120 WeakPolarHBondContact O-CG1 3.22Å; T116-I120 PolarHBondContact O-N 3.2Å; T116-I120 VanDerWaalsContact O-N 3.1Å; T116-E353 WeakPolarHBondContact CB-OE2 3.46Å; T116-E353 PolarHBondContact OG1-OE2 2.8Å |
| 117 | C | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.6 | -43.1 | -178.9 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | L113 R114 R119 I120 M121 I212 F349 E353 | L113-C117 VanDerWaalsContact O-CB 3.24Å; L113-C117 WeakPolarHBondContact O-CB 3.44Å; L113-C117 PolarHBondContact O-N 3.37Å; L113-C117 VanDerWaalsContact O-N 3.08Å; R114-C117 PolarHBondContact O-N 2.82Å; C117-R119 VanDerWaalsContact C-N 3.35Å; C117-R119 PolarHBondContact O-N 3.47Å; C117-I120 PolarHBondContact O-N 3.19Å; C117-M121 VanDerWaalsContact O-CG 3.23Å; C117-M121 WeakPolarHBondContact O-CG 3.4Å; C117-M121 PolarHBondContact O-N 3.4Å; C117-I212 HydrophobicContact CB-CD1 3.97Å; C117-F349 HydrophobicContact CB-CB 4.06Å; C117-F349 HydrophobicContact CB-CD1 4.5Å; C117-F349 PolarHBondContact SG-O 3.4Å; C117-F349 VanDerWaalsContact SG-O 3.39Å; C117-E353 WeakPolarHBondContact CA-OE2 3.32Å; C117-E353 HydrophobicContact CB-CB 4.04Å; C117-E353 HydrophobicContact CB-CG 4.48Å; C117-E353 WeakPolarHBondContact CB-OE2 3.49Å; C117-E353 PolarHBondContact N-OE2 3.47Å |
| 118 | K | 98.5 | Very high | 98.3 | Very high | 73 Ų | 73 | 50.1 Ų | 50.1 | 32% | 0.317 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -55.6 | -47.9 | 176.8 | 175.9 | 55.8 | -179.6 | 156.5 | 0 | 111.9 | R114 T116 I120 M121 D122 I212 | R114-K118 VanDerWaalsContact O-CB 3.25Å; R114-K118 WeakPolarHBondContact O-CB 3.49Å; R114-K118 PolarHBondContact O-N 2.83Å; T116-K118 VanDerWaalsContact C-N 3.3Å; T116-K118 PolarHBondContact O-N 2.94Å; K118-I120 PolarHBondContact O-N 3.01Å; K118-M121 PolarHBondContact O-N 2.87Å; K118-D122 WeakPolarHBondContact CE-OD1 3.48Å; K118-D122 VanDerWaalsContact CE-OD2 3.23Å; K118-D122 WeakPolarHBondContact CE-OD2 3.46Å; K118-D122 IonicContact NZ-OD1 3.04Å; K118-D122 PolarHBondContact NZ-OD1 2.99Å; K118-D122 IonicContact NZ-OD2 2.67Å; K118-D122 PolarHBondContact NZ-OD2 2.8Å; K118-D122 VanDerWaalsContact O-CG 3.26Å; K118-D122 PolarHBondContact O-N 3.18Å; K118-I212 HydrophobicContact CB-CD1 4Å; K118-I212 HydrophobicContact CB-CG1 4.15Å; K118-I212 HydrophobicContact CD-CB 4.11Å; K118-I212 HydrophobicContact CD-CG1 4.07Å; K118-I212 HydrophobicContact CD-CG2 4.03Å |
| 119 | R | 97.9 | Very high | 98.4 | Very high | 85 Ų | 85 | 48 Ų | 48 | 32% | 0.321 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 177.7 | -66.4 | 171.3 | 64.5 | -150.4 | -6.6 | 111.6 | T116 C117 D122 M123 Y371 N373 | T116-R119 WeakPolarHBondContact O-CB 3Å; T116-R119 PolarHBondContact O-N 3.21Å; T116-R119 VanDerWaalsContact O-N 3.16Å; C117-R119 VanDerWaalsContact C-N 3.35Å; C117-R119 PolarHBondContact O-N 3.47Å; R119-D122 PolarHBondContact O-N 2.82Å; R119-M123 WeakPolarHBondContact O-CG 3.44Å; R119-M123 PolarHBondContact O-N 3.41Å; R119-Y371 PolarHBondContact NH2-O 2.84Å; R119-N373 PolarHBondContact NE-OD1 2.9Å; R119-N373 PolarHBondContact NH2-OD1 3.18Å |
| 120 | I | 98.5 | Very high | 98.4 | Very high | 5 Ų | 5 | 52.3 Ų | 52.3 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 179 | -64.8 | -59.3 | 0 | 0 | 0 | 111.6 | T116 C117 K118 M123 E353 I356 R357 L361 Y371 | T116-I120 WeakPolarHBondContact O-CG1 3.22Å; T116-I120 PolarHBondContact O-N 3.2Å; T116-I120 VanDerWaalsContact O-N 3.1Å; C117-I120 PolarHBondContact O-N 3.19Å; K118-I120 PolarHBondContact O-N 3.01Å; I120-M123 HydrophobicContact CD1-SD 4.02Å; I120-M123 PolarHBondContact O-N 3.14Å; I120-E353 HydrophobicContact CB-CG 4.16Å; I120-E353 HydrophobicContact CG1-CG 3.99Å; I120-E353 HydrophobicContact CG2-CG 4.22Å; I120-I356 HydrophobicContact CG2-CB 3.89Å; I120-I356 HydrophobicContact CG2-CG2 3.48Å; I120-I356 VanDerWaalsContact CG2-CG2 3.48Å; I120-R357 HydrophobicContact CG2-CG 4.25Å; I120-L361 HydrophobicContact CD1-CD1 4.08Å; I120-L361 HydrophobicContact CG2-CD1 4.12Å; I120-Y371 HydrophobicContact CD1-CD2 3.82Å; I120-Y371 HydrophobicContact CD1-CE2 3.92Å |
| 121 | M | 98.4 | Very high | 98.5 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.034 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.3 | -38.8 | 175.9 | -67.8 | -64.5 | 171.8 | 0 | 0 | 112.2 | C117 K118 M123 V124 S125 P129 F131 G211 I212 T352 I356 | C117-M121 VanDerWaalsContact O-CG 3.23Å; C117-M121 WeakPolarHBondContact O-CG 3.4Å; C117-M121 PolarHBondContact O-N 3.4Å; K118-M121 PolarHBondContact O-N 2.87Å; M121-M123 VanDerWaalsContact C-N 3.33Å; M121-M123 PolarHBondContact O-N 3.43Å; M121-V124 PolarHBondContact O-N 3.46Å; M121-S125 PolarHBondContact O-N 3.05Å; M121-S125 VanDerWaalsContact O-N 3.17Å; M121-P129 HydrophobicContact SD-CG 4.4Å; M121-F131 HydrophobicContact CE-CE2 3.69Å; M121-F131 HydrophobicContact CE-CZ 3.86Å; M121-F131 HydrophobicContact SD-CE2 4.02Å; M121-F131 HydrophobicContact SD-CZ 4.47Å; M121-G211 VanDerWaalsContact SD-CA 3.54Å; M121-I212 HydrophobicContact CG-CB 4.46Å; M121-T352 VanDerWaalsContact CE-CB 3.46Å; M121-I356 HydrophobicContact CE-CG1 3.68Å; M121-I356 HydrophobicContact SD-CD1 4.32Å; M121-I356 HydrophobicContact SD-CG1 3.74Å |
| 122 | D | 98.1 | Very high | 98.5 | Very high | 78 Ų | 78 | 46 Ų | 46 | 42% | 0.417 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.6 | -37.6 | 178.9 | -69.7 | -22.7 | 0 | 0 | 0 | 111.8 | K118 R119 V124 S125 | K118-D122 WeakPolarHBondContact CE-OD1 3.48Å; K118-D122 VanDerWaalsContact CE-OD2 3.23Å; K118-D122 WeakPolarHBondContact CE-OD2 3.46Å; K118-D122 IonicContact NZ-OD1 3.04Å; K118-D122 PolarHBondContact NZ-OD1 2.99Å; K118-D122 IonicContact NZ-OD2 2.67Å; K118-D122 PolarHBondContact NZ-OD2 2.8Å; K118-D122 VanDerWaalsContact O-CG 3.26Å; K118-D122 PolarHBondContact O-N 3.18Å; R119-D122 PolarHBondContact O-N 2.82Å; D122-V124 PolarHBondContact O-N 2.87Å; D122-S125 WeakPolarHBondContact O-CB 3.32Å; D122-S125 PolarHBondContact O-N 3.1Å; D122-S125 PolarHBondContact O-OG 3.29Å |
| 123 | M | 98 | Very high | 98.5 | Very high | 83 Ų | 83 | 45.6 Ų | 45.6 | 41% | 0.409 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.7 | -25.5 | 177.4 | -69.2 | 171.7 | 61.3 | 0 | 0 | 114.1 | R119 I120 M121 L361 Y371 | R119-M123 WeakPolarHBondContact O-CG 3.44Å; R119-M123 PolarHBondContact O-N 3.41Å; I120-M123 HydrophobicContact CD1-SD 4.02Å; I120-M123 PolarHBondContact O-N 3.14Å; M121-M123 VanDerWaalsContact C-N 3.33Å; M121-M123 PolarHBondContact O-N 3.43Å; M123-L361 HydrophobicContact CE-CD1 4.19Å; M123-L361 HydrophobicContact CE-CD2 4.23Å; M123-Y371 HydrophobicContact CE-CD1 3.65Å; M123-Y371 HydrophobicContact CE-CD2 3.95Å; M123-Y371 HydrophobicContact CE-CE1 3.84Å; M123-Y371 HydrophobicContact CE-CE2 4.12Å; M123-Y371 HydrophobicContact CE-CG 3.7Å; M123-Y371 HydrophobicContact SD-CD2 4.04Å; M123-Y371 HydrophobicContact SD-CG 4.02Å |
| 124 | V | 98.1 | Very high | 98.5 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.006 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | 14.3 | -177.3 | -59.8 | 0 | 0 | 0 | 0 | 113 | M121 D122 N126 Q127 P129 I356 L360 L361 | M121-V124 PolarHBondContact O-N 3.46Å; D122-V124 PolarHBondContact O-N 2.87Å; V124-N126 PolarHBondContact O-N 2.59Å; V124-Q127 WeakPolarHBondContact O-CB 3.33Å; V124-Q127 PolarHBondContact O-N 3.43Å; V124-P129 HydrophobicContact CG2-CG 4.11Å; V124-I356 HydrophobicContact CB-CG2 4.37Å; V124-I356 HydrophobicContact CG1-CG2 3.88Å; V124-I356 HydrophobicContact CG2-CD1 4.21Å; V124-I356 HydrophobicContact CG2-CG1 4.45Å; V124-I356 HydrophobicContact CG2-CG2 3.62Å; V124-L360 HydrophobicContact CB-CD1 4.05Å; V124-L360 HydrophobicContact CG1-CB 4.12Å; V124-L360 HydrophobicContact CG1-CD1 4.24Å; V124-L360 HydrophobicContact CG2-CD1 4.17Å; V124-L361 HydrophobicContact CG1-CD2 3.72Å; V124-L361 HydrophobicContact CG1-CG 4.39Å |
| 125 | S | 97.7 | Very high | 98.5 | Very high | 64 Ų | 64 | 43.1 Ų | 43.1 | 45% | 0.448 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -55.4 | -34.4 | -176.7 | 53 | 0 | 0 | 0 | 0 | 113.3 | M121 D122 Q127 H128 | M121-S125 PolarHBondContact O-N 3.05Å; M121-S125 VanDerWaalsContact O-N 3.17Å; D122-S125 WeakPolarHBondContact O-CB 3.32Å; D122-S125 PolarHBondContact O-N 3.1Å; D122-S125 PolarHBondContact O-OG 3.29Å; S125-Q127 PolarHBondContact O-N 2.94Å; S125-H128 PolarHBondContact O-N 2.77Å |
| 126 | N | 98.3 | Very high | 98.5 | Very high | 115 Ų | 115 | 40.8 Ų | 40.8 | 62% | 0.615 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -62.1 | -20.6 | 174.8 | 66.8 | -34.9 | 0 | 0 | 0 | 114.2 | V124 | V124-N126 PolarHBondContact O-N 2.59Š|
| 127 | Q | 98.6 | Very high | 98.6 | Very high | 62 Ų | 62 | 38.4 Ų | 38.4 | 29% | 0.29 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -89.1 | -4.7 | 176.7 | -57.5 | -169.5 | 56.2 | 0 | 0 | 112.8 | V124 S125 T258 K259 L360 | V124-Q127 WeakPolarHBondContact O-CB 3.33Å; V124-Q127 PolarHBondContact O-N 3.43Å; S125-Q127 PolarHBondContact O-N 2.94Å; Q127-T258 HydrophobicContact CB-CG2 4.37Å; Q127-K259 WeakPolarHBondContact O-CB 3.31Å; Q127-K259 PolarHBondContact O-N 2.91Å; Q127-L360 HydrophobicContact CB-CD1 4.44Å |
| 128 | H | 98.6 | Very high | 98.6 | Very high | 72 Ų | 72 | 38.4 Ų | 38.4 | 33% | 0.333 | 19% | 0.189 | S | C | . | . | trans | 45 | 62.1 | -178.8 | -60.7 | -74.7 | 0 | 0 | 0 | 113.2 | S125 W130 E210 K259 R262 | S125-H128 PolarHBondContact O-N 2.77Å; H128-W130 PolarHBondContact O-N 3.27Å; H128-E210 IonicContact CE1-OE1 2.75Å; H128-E210 IonicContact CG-OE1 2.62Å; H128-E210 IonicContact ND1-OE1 3.79Å; H128-E210 PolarHBondContact ND1-OE1 2.72Å; H128-E210 IonicContact ND1-OE2 2.69Å; H128-K259 HydrophobicContact CB-CB 4.43Å; H128-R262 PolarHBondContact O-NH1 3.36Å; H128-R262 PolarHBondContact O-NH2 2.84Å | ||
| 129 | P | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | trans | -65.4 | 121.5 | 179.1 | 28.5 | -34.5 | 0 | 0 | 0 | 110.2 | M121 V124 F131 E210 G211 F256 S257 I356 | M121-P129 HydrophobicContact SD-CG 4.4Å; V124-P129 HydrophobicContact CG2-CG 4.11Å; P129-F131 HydrophobicContact CB-CE2 4.08Å; P129-F131 HydrophobicContact CB-CZ 4.35Å; P129-E210 WeakPolarHBondContact O-CA 3.12Å; P129-G211 PolarHBondContact O-N 3.45Å; P129-F256 HydrophobicContact CB-CE2 3.87Å; P129-S257 CarbonylContact C-O 3.6Å; P129-S257 WeakPolarHBondContact CA-O 3.34Å; P129-I356 HydrophobicContact CB-CD1 3.71Å; P129-I356 HydrophobicContact CG-CD1 4.22Å | ||
| 130 | W | 98.9 | Very high | 98.6 | Very high | 96 Ų | 96 | 31.6 Ų | 31.6 | 36% | 0.364 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.2 | 175.7 | -71.3 | -0.8 | 0 | 0 | 0 | 110.6 | H128 P208 C209 E210 F256 S257 R262 | H128-W130 PolarHBondContact O-N 3.27Å; W130-P208 HydrophobicContact CE3-CB 4.26Å; W130-C209 CarbonylContact C-O 3.52Å; W130-C209 WeakPolarHBondContact CA-O 3.42Å; W130-E210 PolarHBondContact NE1-OE2 2.9Å; W130-F256 WeakPolarHBondContact O-CA 3.48Å; W130-S257 PolarHBondContact N-O 2.57Å; W130-S257 PolarHBondContact O-N 3.11Å; W130-R262 VanDerWaalsContact CD2-CZ 3.43Å |
| 131 | F | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.013 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 147.6 | 177.9 | -58.8 | -82 | 0 | 0 | 0 | 110.8 | M121 P129 P208 C209 M214 T254 N255 F256 T352 L355 I356 | M121-F131 HydrophobicContact CE-CE2 3.69Å; M121-F131 HydrophobicContact CE-CZ 3.86Å; M121-F131 HydrophobicContact SD-CE2 4.02Å; M121-F131 HydrophobicContact SD-CZ 4.47Å; P129-F131 HydrophobicContact CB-CE2 4.08Å; P129-F131 HydrophobicContact CB-CZ 4.35Å; F131-P208 CarbonylContact O-C 3.56Å; F131-P208 VanDerWaalsContact O-CA 3.3Å; F131-P208 WeakPolarHBondContact O-CA 3.46Å; F131-C209 PolarHBondContact N-O 3.03Å; F131-C209 PolarHBondContact O-N 3.18Å; F131-M214 HydrophobicContact CB-CB 3.88Å; F131-M214 HydrophobicContact CB-CG 3.49Å; F131-M214 VanDerWaalsContact CB-CG 3.49Å; F131-M214 HydrophobicContact CB-SD 3.62Å; F131-M214 HydrophobicContact CD2-CB 4.19Å; F131-M214 HydrophobicContact CG-CB 4.33Å; F131-M214 HydrophobicContact CG-CG 4.23Å; F131-T254 HydrophobicContact CD1-CG2 4.24Å; F131-N255 CarbonylContact C-O 3.5Å; F131-N255 WeakPolarHBondContact CA-O 3.3Å; F131-F256 HydrophobicContact CD1-CB 4.21Å; F131-F256 AromaticContact CD1-CD2 3.65Å; F131-F256 HydrophobicContact CD1-CD2 3.65Å; F131-F256 HydrophobicContact CD1-CE2 4.49Å; F131-F256 HydrophobicContact CD1-CG 4.25Å; F131-F256 HydrophobicContact CE1-CB 4.3Å; F131-F256 AromaticContact CE1-CD2 3.23Å; F131-F256 HydrophobicContact CE1-CD2 3.23Å; F131-F256 AromaticContact CE1-CE2 3.73Å; F131-F256 HydrophobicContact CE1-CE2 3.73Å; F131-F256 AromaticContact CE1-CG 3.91Å; F131-F256 HydrophobicContact CE1-CG 3.91Å; F131-F256 HydrophobicContact CG-CD2 4.48Å; F131-F256 AromaticContact CZ-CD2 3.77Å; F131-F256 HydrophobicContact CZ-CD2 3.77Å; F131-F256 AromaticContact CZ-CE2 3.78Å; F131-F256 HydrophobicContact CZ-CE2 3.78Å; F131-T352 HydrophobicContact CB-CG2 4.42Å; F131-T352 HydrophobicContact CD1-CG2 3.75Å; F131-T352 HydrophobicContact CD2-CG2 4Å; F131-T352 HydrophobicContact CE1-CG2 3.88Å; F131-T352 HydrophobicContact CE2-CG2 4.13Å; F131-T352 HydrophobicContact CG-CG2 3.79Å; F131-T352 HydrophobicContact CZ-CG2 4.07Å; F131-L355 HydrophobicContact CD1-CD1 4.38Å; F131-L355 HydrophobicContact CE1-CB 4.32Å; F131-L355 HydrophobicContact CE1-CD1 3.98Å; F131-I356 HydrophobicContact CE2-CD1 4.43Å; F131-I356 HydrophobicContact CZ-CD1 3.73Å; F131-I356 HydrophobicContact CZ-CG1 4Å |
| 132 | G | 98.9 | Very high | 98.6 | Very high | 13 Ų | 13 | 34.5 Ų | 34.5 | 13% | 0.134 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 138 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | I206 T254 N255 | G132-I206 CarbonylContact C-O 3.58Å; G132-I206 WeakPolarHBondContact CA-O 3.37Å; G132-T254 CarbonylContact O-C 3.39Å; G132-T254 WeakPolarHBondContact O-CA 3.45Å; G132-N255 PolarHBondContact N-O 2.82Å; G132-N255 WeakPolarHBondContact O-CB 3.36Å; G132-N255 PolarHBondContact O-N 3.17Å |
| 133 | M | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 132.7 | -179.5 | -70.4 | -179.8 | 167.5 | 0 | 0 | 111.5 | Q205 I206 M214 L218 H253 T254 P348 V351 T352 | M133-Q205 CarbonylContact O-C 3.58Å; M133-Q205 WeakPolarHBondContact O-CA 3.3Å; M133-I206 PolarHBondContact N-O 3.44Å; M133-I206 PolarHBondContact O-N 3.18Å; M133-M214 HydrophobicContact CB-CE 3.69Å; M133-M214 HydrophobicContact CB-SD 4.41Å; M133-M214 HydrophobicContact CE-CG 4.22Å; M133-M214 HydrophobicContact CG-CE 3.78Å; M133-M214 HydrophobicContact CG-CG 4.26Å; M133-M214 HydrophobicContact CG-SD 4.02Å; M133-M214 HydrophobicContact SD-CE 3.94Å; M133-M214 HydrophobicContact SD-CG 3.97Å; M133-M214 HydrophobicContact SD-SD 4.4Å; M133-L218 HydrophobicContact CB-CD2 4.19Å; M133-L218 HydrophobicContact SD-CD2 3.62Å; M133-H253 VanDerWaalsContact CA-O 3.31Å; M133-H253 WeakPolarHBondContact CA-O 3.45Å; M133-T254 HydrophobicContact CE-CG2 3.69Å; M133-T254 WeakPolarHBondContact CE-OG1 3.44Å; M133-T254 HydrophobicContact CG-CG2 4.09Å; M133-P348 HydrophobicContact CE-CB 4Å; M133-P348 HydrophobicContact SD-CB 3.66Å; M133-V351 HydrophobicContact CE-CB 3.99Å; M133-V351 HydrophobicContact CE-CG1 3.82Å; M133-T352 HydrophobicContact CE-CG2 3.58Å |
| 134 | E | 98.9 | Very high | 98.4 | Very high | 32 Ų | 32 | 33.7 Ų | 33.7 | 15% | 0.15 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 91.9 | 178.3 | -70 | 166.7 | -155.2 | 0 | 0 | 108.3 | E136 E203 Q205 C252 H253 N255 | E134-E136 PolarHBondContact O-N 3.42Å; E134-E203 HydrophobicContact CB-CG 4.37Å; E134-E203 WeakPolarHBondContact CB-OE1 3.47Å; E134-E203 WeakPolarHBondContact CG-OE1 3.36Å; E134-Q205 HydrophobicContact CB-CG 4.47Å; E134-Q205 HydrophobicContact CG-CG 3.83Å; E134-C252 CarbonylContact O-C 3.51Å; E134-C252 VanDerWaalsContact O-CA 3.24Å; E134-C252 WeakPolarHBondContact O-CA 3.49Å; E134-H253 HydrophobicContact CB-CB 4.06Å; E134-H253 HydrophobicContact CG-CB 4.43Å; E134-H253 PolarHBondContact N-O 2.97Å; E134-H253 PolarHBondContact O-N 3.02Å; E134-H253 WeakPolarHBondContact OE2-CB 3.42Å; E134-H253 IonicContact OE2-CG 2.74Å; E134-H253 IonicContact OE2-ND1 3.78Å; E134-H253 PolarHBondContact OE2-ND1 2.93Å; E134-N255 PolarHBondContact OE1-ND2 3.32Å |
| 135 | Q | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 105.3 | -177.5 | 177.1 | 68.6 | 73.4 | 0 | 0 | 110.5 | E203 F204 L218 F238 A344 | Q135-E203 VanDerWaalsContact O-CA 3.3Å; Q135-E203 WeakPolarHBondContact O-CA 3.43Å; Q135-F204 HydrophobicContact CB-CD1 4.23Å; Q135-F204 HydrophobicContact CB-CD2 4.08Å; Q135-F204 HydrophobicContact CB-CE1 3.85Å; Q135-F204 HydrophobicContact CB-CE2 3.69Å; Q135-F204 HydrophobicContact CB-CG 4.35Å; Q135-F204 HydrophobicContact CB-CZ 3.58Å; Q135-F204 HydrophobicContact CG-CD1 4.25Å; Q135-F204 HydrophobicContact CG-CE1 3.48Å; Q135-F204 VanDerWaalsContact CG-CE1 3.48Å; Q135-F204 HydrophobicContact CG-CE2 4.04Å; Q135-F204 HydrophobicContact CG-CZ 3.38Å; Q135-F204 PolarHBondContact N-O 3.22Å; Q135-F204 PolarHBondContact O-N 3.21Å; Q135-L218 HydrophobicContact CB-CD1 3.91Å; Q135-L218 HydrophobicContact CG-CD1 4.29Å; Q135-F238 HydrophobicContact CG-CD1 4.46Å; Q135-F238 HydrophobicContact CG-CE1 4.14Å; Q135-A344 PolarHBondContact NE2-O 2.9Å; Q135-A344 PolarHBondContact OE1-O 3.15Å |
| 136 | E | 98.9 | Very high | 98.4 | Very high | 14 Ų | 14 | 32.9 Ų | 32.9 | 7% | 0.065 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 147.8 | 168.5 | -60.4 | 176.4 | -161.9 | 0 | 0 | 111 | E134 E196 Q201 W202 E203 A250 G251 H253 A344 | E134-E136 PolarHBondContact O-N 3.42Å; E136-E196 HydrophobicContact CG-CG 4.13Å; E136-Q201 PolarHBondContact OE2-NE2 2.74Å; E136-Q201 VanDerWaalsContact OE2-NE2 3.08Å; E136-W202 CarbonylContact C-O 3.24Å; E136-W202 WeakPolarHBondContact CA-O 3.36Å; E136-E203 HydrophobicContact CG-CB 4.23Å; E136-E203 HydrophobicContact CG-CG 3.97Å; E136-A250 HydrophobicContact CB-CB 4.07Å; E136-A250 WeakPolarHBondContact OE2-CA 3.3Å; E136-G251 WeakPolarHBondContact CB-O 3.48Å; E136-G251 PolarHBondContact N-O 3.16Å; E136-G251 VanDerWaalsContact N-O 3.16Å; E136-G251 PolarHBondContact OE2-N 2.65Å; E136-H253 IonicContact OE1-CE1 3.2Å; E136-A344 WeakPolarHBondContact O-CB 3.39Å |
| 137 | Y | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 159.4 | 177.2 | 65.5 | -80.3 | 0 | 0 | 0 | 111 | L139 V176 Q201 W202 F204 L225 A236 T237 F238 | Y137-L139 HydrophobicContact CD2-CD2 4.2Å; Y137-L139 HydrophobicContact CE2-CD2 3.8Å; Y137-L139 HydrophobicContact CE2-CG 4.12Å; Y137-V176 WeakPolarHBondContact OH-CG2 3.3Å; Y137-Q201 VanDerWaalsContact O-CA 3.31Å; Y137-Q201 WeakPolarHBondContact O-CA 3.16Å; Y137-Q201 VanDerWaalsContact O-CG 3.22Å; Y137-Q201 WeakPolarHBondContact O-CG 3.29Å; Y137-W202 HydrophobicContact CD1-CB 4.37Å; Y137-W202 VanDerWaalsContact CD1-O 3.3Å; Y137-W202 WeakPolarHBondContact CD1-O 3.22Å; Y137-W202 HydrophobicContact CE1-CB 3.64Å; Y137-W202 HydrophobicContact CE2-CB 4.02Å; Y137-W202 VanDerWaalsContact CZ-CB 3.48Å; Y137-W202 PolarHBondContact N-O 2.87Å; Y137-W202 PolarHBondContact O-N 3.46Å; Y137-F204 HydrophobicContact CD1-CD1 4.02Å; Y137-F204 HydrophobicContact CD1-CE1 4.11Å; Y137-F204 AromaticContact CE1-CD1 3.67Å; Y137-F204 HydrophobicContact CE1-CD1 3.67Å; Y137-F204 HydrophobicContact CE1-CE1 4.13Å; Y137-L225 HydrophobicContact CD1-CD2 3.96Å; Y137-L225 HydrophobicContact CD2-CD2 3.68Å; Y137-L225 HydrophobicContact CE1-CD2 4.09Å; Y137-L225 HydrophobicContact CE2-CD1 3.88Å; Y137-L225 HydrophobicContact CE2-CD2 3.78Å; Y137-L225 HydrophobicContact CE2-CG 4.43Å; Y137-L225 HydrophobicContact CG-CD2 3.75Å; Y137-A236 HydrophobicContact CD2-CB 4.16Å; Y137-T237 WeakPolarHBondContact CA-O 3.33Å; Y137-F238 HydrophobicContact CG-CE1 4.38Å |
| 138 | T | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.9 | 175.2 | -57 | 0 | 0 | 0 | 0 | 111 | M140 M198 T237 P242 | T138-M140 HydrophobicContact CG2-SD 3.61Å; T138-M198 HydrophobicContact CG2-CE 3.29Å; T138-M198 WeakPolarHBondContact OG1-CE 3.49Å; T138-T237 PolarHBondContact N-O 2.93Å; T138-T237 PolarHBondContact O-N 3.42Å; T138-P242 WeakPolarHBondContact OG1-CG 3.19Å |
| 139 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 131.1 | 171.4 | -64.2 | 178.3 | 0 | 0 | 0 | 110.7 | Y137 P146 F147 I175 A200 V234 I235 | Y137-L139 HydrophobicContact CD2-CD2 4.2Å; Y137-L139 HydrophobicContact CE2-CD2 3.8Å; Y137-L139 HydrophobicContact CE2-CG 4.12Å; L139-P146 WeakPolarHBondContact O-CA 3.46Å; L139-F147 HydrophobicContact CB-CB 3.96Å; L139-F147 PolarHBondContact O-N 3.27Å; L139-I175 HydrophobicContact CD1-CB 4.35Å; L139-I175 HydrophobicContact CD1-CD1 4.26Å; L139-I175 HydrophobicContact CD2-CG2 4.18Å; L139-A200 HydrophobicContact CB-CB 4.47Å; L139-A200 PolarHBondContact N-O 2.93Å; L139-V234 HydrophobicContact CD2-CG2 4.23Å; L139-I235 CarbonylContact C-O 3.51Å; L139-I235 WeakPolarHBondContact CA-O 3.47Å |
| 140 | M | 98.5 | Very high | 98.1 | Very high | 16 Ų | 16 | 27.3 Ų | 27.3 | 8% | 0.079 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 148 | -177.5 | -48.5 | -65.2 | -76.5 | 0 | 0 | 110.4 | T138 G144 H145 P146 V234 I235 T237 | T138-M140 HydrophobicContact CG2-SD 3.61Å; M140-G144 WeakPolarHBondContact CE-O 3.42Å; M140-H145 CarbonylContact C-O 3.47Å; M140-H145 WeakPolarHBondContact CA-O 3.44Å; M140-P146 HydrophobicContact CE-CG 4.07Å; M140-P146 HydrophobicContact SD-CB 4.14Å; M140-P146 HydrophobicContact SD-CG 3.99Å; M140-V234 WeakPolarHBondContact O-CB 3.5Å; M140-I235 HydrophobicContact CB-CB 4.22Å; M140-I235 PolarHBondContact N-O 3.05Å; M140-I235 PolarHBondContact O-N 2.77Å; M140-T237 HydrophobicContact CG-CG2 3.7Å; M140-T237 HydrophobicContact SD-CG2 4.09Å |
| 141 | G | 98 | Very high | 97.9 | Very high | 3 Ų | 3 | 28 Ų | 28 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | trans | -70.7 | 170.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T2 D143 G144 H145 | T2-G141 CarbonylContact O-C 3.4Å; T2-G141 WeakPolarHBondContact O-CA 3.05Å; G141-D143 PolarHBondContact O-N 2.92Å; G141-G144 PolarHBondContact O-N 3.29Å; G141-G144 VanDerWaalsContact O-N 3.11Å; G141-H145 PolarHBondContact N-O 3.31Å | ||
| 142 | T | 97.9 | Very high | 97.5 | Very high | 70 Ų | 70 | 35.5 Ų | 35.5 | 43% | 0.429 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -11.3 | 178.3 | 56.7 | 0 | 0 | 0 | 0 | 113.5 | T2 G144 | T2-T142 PolarHBondContact O-N 2.95Å; T2-T142 PolarHBondContact O-OG1 3.07Å; T142-G144 VanDerWaalsContact C-N 3.28Å |
| 143 | D | 96.9 | Very high | 97.3 | Very high | 95 Ų | 95 | 35.8 Ų | 35.8 | 51% | 0.508 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -1.9 | 170.4 | 58.5 | 10.3 | 0 | 0 | 0 | 113.6 | T2 G141 H145 | T2-D143 WeakPolarHBondContact CB-OD2 3.36Å; T2-D143 HydrophobicContact CG2-CB 4.06Å; T2-D143 WeakPolarHBondContact CG2-OD2 3.31Å; T2-D143 PolarHBondContact OG1-N 3.02Å; T2-D143 PolarHBondContact OG1-OD1 2.99Å; T2-D143 PolarHBondContact OG1-OD2 2.82Å; G141-D143 PolarHBondContact O-N 2.92Å; D143-H145 VanDerWaalsContact C-N 3.3Å; D143-H145 VanDerWaalsContact OD1-CB 3.24Å; D143-H145 WeakPolarHBondContact OD1-CB 3.33Å; D143-H145 PolarHBondContact OD1-N 3.01Å |
| 144 | G | 96.3 | Very high | 97.2 | Very high | 49 Ų | 49 | 42.2 Ų | 42.2 | 51% | 0.505 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 77.1 | 13.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | M140 G141 T142 | M140-G144 WeakPolarHBondContact CE-O 3.42Å; G141-G144 PolarHBondContact O-N 3.29Å; G141-G144 VanDerWaalsContact O-N 3.11Å; T142-G144 VanDerWaalsContact C-N 3.28Å |
| 145 | H | 97.1 | Very high | 97.1 | Very high | 45 Ų | 45 | 41.6 Ų | 41.6 | 21% | 0.208 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -95.9 | 145.3 | 171.1 | -162.1 | 66.2 | 0 | 0 | 0 | 110.7 | M140 G141 D143 F147 W149 P150 G153 | M140-H145 CarbonylContact C-O 3.47Å; M140-H145 WeakPolarHBondContact CA-O 3.44Å; G141-H145 PolarHBondContact N-O 3.31Å; D143-H145 VanDerWaalsContact C-N 3.3Å; D143-H145 VanDerWaalsContact OD1-CB 3.24Å; D143-H145 WeakPolarHBondContact OD1-CB 3.33Å; D143-H145 PolarHBondContact OD1-N 3.01Å; H145-F147 PolarHBondContact O-N 3.42Å; H145-W149 WeakPolarHBondContact NE2-CB 3.42Å; H145-W149 AromaticContact NE2-CE3 3.97Å; H145-P150 PolarHBondContact NE2-O 3.25Å; H145-G153 PolarHBondContact CE1-O 3.06Å; H145-G153 VanDerWaalsContact CE1-O 3.31Å; H145-G153 PolarHBondContact NE2-O 2.89Å |
| 146 | P | 98 | Very high | 97 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -58.1 | 138.8 | 179.7 | -25.4 | 35 | 0 | 0 | 0 | 113.1 | L139 M140 G148 W149 I243 | L139-P146 WeakPolarHBondContact O-CA 3.46Å; M140-P146 HydrophobicContact CE-CG 4.07Å; M140-P146 HydrophobicContact SD-CB 4.14Å; M140-P146 HydrophobicContact SD-CG 3.99Å; P146-G148 PolarHBondContact O-N 2.97Å; P146-W149 HydrophobicContact CB-CB 4.44Å; P146-W149 HydrophobicContact CB-CD2 3.7Å; P146-W149 HydrophobicContact CB-CE3 4.39Å; P146-W149 HydrophobicContact CB-CG 3.69Å; P146-W149 HydrophobicContact CB-CZ2 4.34Å; P146-W149 HydrophobicContact CG-CD2 3.85Å; P146-W149 HydrophobicContact CG-CE3 4.04Å; P146-W149 HydrophobicContact CG-CG 4.31Å; P146-W149 HydrophobicContact CG-CH2 4.4Å; P146-W149 HydrophobicContact CG-CZ2 4.21Å; P146-W149 HydrophobicContact CG-CZ3 4.3Å; P146-W149 WeakPolarHBondContact O-CB 3.39Å; P146-W149 PolarHBondContact O-N 3.43Å; P146-I243 HydrophobicContact CG-CD1 3.5Å; P146-I243 HydrophobicContact CG-CG1 3.77Å |
| 147 | F | 98 | Very high | 96.9 | Very high | 40 Ų | 40 | 48 Ų | 48 | 18% | 0.175 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | 132.9 | -174.9 | 179.8 | -99.3 | 0 | 0 | 0 | 111.1 | M1 T3 L139 H145 W149 A200 V234 | M1-F147 HydrophobicContact SD-CD2 4.03Å; M1-F147 HydrophobicContact SD-CE1 4.28Å; M1-F147 HydrophobicContact SD-CE2 3.63Å; M1-F147 HydrophobicContact SD-CZ 3.77Å; T3-F147 HydrophobicContact CG2-CE2 4.12Å; L139-F147 HydrophobicContact CB-CB 3.96Å; L139-F147 PolarHBondContact O-N 3.27Å; H145-F147 PolarHBondContact O-N 3.42Å; F147-W149 PolarHBondContact O-N 3.19Å; F147-A200 WeakPolarHBondContact O-CB 3.3Å; F147-V234 HydrophobicContact CD2-CG1 3.49Å; F147-V234 VanDerWaalsContact CD2-CG1 3.49Å; F147-V234 HydrophobicContact CE2-CG1 3.69Å; F147-V234 HydrophobicContact CG-CG1 4.1Å; F147-V234 HydrophobicContact CZ-CG1 4.44Å |
| 148 | G | 96.8 | Very high | 96.9 | Very high | 20 Ų | 20 | 50.3 Ų | 50.3 | 21% | 0.206 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80 | -5.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | M1 P146 | M1-G148 VanDerWaalsContact SD-CA 3.54Å; M1-G148 PolarHBondContact SD-N 2.78Å; P146-G148 PolarHBondContact O-N 2.97Å |
| 149 | W | 97.4 | Very high | 96.8 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -72.2 | 153.8 | 174.3 | -75.8 | 36.1 | 0 | 0 | 0 | 111.9 | H145 P146 F147 S151 F154 P155 M198 P199 I243 W247 | H145-W149 WeakPolarHBondContact NE2-CB 3.42Å; H145-W149 AromaticContact NE2-CE3 3.97Å; P146-W149 HydrophobicContact CB-CB 4.44Å; P146-W149 HydrophobicContact CB-CD2 3.7Å; P146-W149 HydrophobicContact CB-CE3 4.39Å; P146-W149 HydrophobicContact CB-CG 3.69Å; P146-W149 HydrophobicContact CB-CZ2 4.34Å; P146-W149 HydrophobicContact CG-CD2 3.85Å; P146-W149 HydrophobicContact CG-CE3 4.04Å; P146-W149 HydrophobicContact CG-CG 4.31Å; P146-W149 HydrophobicContact CG-CH2 4.4Å; P146-W149 HydrophobicContact CG-CZ2 4.21Å; P146-W149 HydrophobicContact CG-CZ3 4.3Å; P146-W149 WeakPolarHBondContact O-CB 3.39Å; P146-W149 PolarHBondContact O-N 3.43Å; F147-W149 PolarHBondContact O-N 3.19Å; W149-S151 PolarHBondContact O-N 3.3Å; W149-F154 HydrophobicContact CE3-CD1 4.24Å; W149-F154 HydrophobicContact CH2-CD1 4.27Å; W149-F154 AromaticContact CZ3-CD1 3.48Å; W149-F154 HydrophobicContact CZ3-CD1 3.48Å; W149-F154 VanDerWaalsContact CZ3-CD1 3.48Å; W149-F154 AromaticContact CZ3-CE1 3.99Å; W149-F154 HydrophobicContact CZ3-CE1 3.99Å; W149-F154 HydrophobicContact CZ3-CG 4.42Å; W149-P155 HydrophobicContact CD2-CG 3.82Å; W149-P155 HydrophobicContact CE3-CG 4.3Å; W149-P155 HydrophobicContact CG-CG 4.16Å; W149-P155 HydrophobicContact CH2-CG 4.48Å; W149-P155 HydrophobicContact CZ2-CG 4.03Å; W149-M198 HydrophobicContact CH2-SD 4.43Å; W149-M198 HydrophobicContact CZ2-CG 3.88Å; W149-M198 HydrophobicContact CZ2-SD 4.06Å; W149-P199 HydrophobicContact CZ2-CG 3.89Å; W149-P199 PolarHBondContact NE1-O 3.37Å; W149-I243 HydrophobicContact CH2-CG1 4.2Å; W149-I243 HydrophobicContact CH2-CG2 4.22Å; W149-I243 HydrophobicContact CZ3-CG2 4.37Å; W149-W247 AromaticContact CH2-CD2 3.69Å; W149-W247 HydrophobicContact CH2-CD2 3.69Å; W149-W247 AromaticContact CH2-CE2 3.61Å; W149-W247 HydrophobicContact CH2-CE3 4.01Å; W149-W247 HydrophobicContact CH2-CG 4.18Å; W149-W247 HydrophobicContact CH2-CH2 4.18Å; W149-W247 AromaticContact CH2-CZ2 3.88Å; W149-W247 HydrophobicContact CH2-CZ2 3.88Å; W149-W247 HydrophobicContact CH2-CZ3 4.23Å; W149-W247 HydrophobicContact CZ2-CD2 4.28Å; W149-W247 HydrophobicContact CZ2-CE3 4.14Å; W149-W247 HydrophobicContact CZ2-CH2 4.45Å; W149-W247 HydrophobicContact CZ2-CZ3 4.23Å; W149-W247 HydrophobicContact CZ3-CZ2 4.31Å |
| 150 | P | 96.2 | Very high | 96.7 | Very high | 63 Ų | 63 | 55.6 Ų | 55.6 | 41% | 0.409 | 35% | 0.354 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 138.1 | 174.2 | -23.3 | 35.3 | 0 | 0 | 0 | 111.4 | H145 N152 G153 | H145-P150 PolarHBondContact NE2-O 3.25Å; P150-N152 PolarHBondContact O-N 2.91Å; P150-G153 PolarHBondContact O-N 3.43Å |
| 151 | S | 94 | Very high | 96.7 | Very high | 111 Ų | 111 | 55.2 Ų | 55.2 | 78% | 0.776 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 123.2 | -179.7 | -167.4 | 0 | 0 | 0 | 0 | 111.2 | W149 G153 | W149-S151 PolarHBondContact O-N 3.3Å; S151-G153 PolarHBondContact O-N 3.5Å |
| 152 | N | 92.1 | Very high | 96.8 | Very high | 159 Ų | 159 | 60.7 Ų | 60.7 | 85% | 0.85 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 29 | -175.3 | -60.9 | -25.1 | 0 | 0 | 0 | 114 | P150 | P150-N152 PolarHBondContact O-N 2.91Š|
| 153 | G | 94.7 | Very high | 96.8 | Very high | 19 Ų | 19 | 61 Ų | 61 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | S | Bend | trans | -140.2 | -170.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H145 P150 S151 | H145-G153 PolarHBondContact CE1-O 3.06Å; H145-G153 VanDerWaalsContact CE1-O 3.31Å; H145-G153 PolarHBondContact NE2-O 2.89Å; P150-G153 PolarHBondContact O-N 3.43Å; S151-G153 PolarHBondContact O-N 3.5Å |
| 154 | F | 96.4 | Very high | 96.9 | Very high | 136 Ų | 136 | 57 Ų | 57 | 60% | 0.596 | 36% | 0.358 | S | S | * | . | trans | -124.5 | 144.6 | 179.1 | -63.2 | -88.3 | 0 | 0 | 0 | 109.2 | W149 I243 W247 | W149-F154 HydrophobicContact CE3-CD1 4.24Å; W149-F154 HydrophobicContact CH2-CD1 4.27Å; W149-F154 AromaticContact CZ3-CD1 3.48Å; W149-F154 HydrophobicContact CZ3-CD1 3.48Å; W149-F154 VanDerWaalsContact CZ3-CD1 3.48Å; W149-F154 AromaticContact CZ3-CE1 3.99Å; W149-F154 HydrophobicContact CZ3-CE1 3.99Å; W149-F154 HydrophobicContact CZ3-CG 4.42Å; F154-I243 HydrophobicContact CE1-CG2 4.44Å; F154-W247 HydrophobicContact CB-CZ2 4.12Å; F154-W247 AromaticContact CD1-CE2 3.9Å; F154-W247 AromaticContact CD1-CZ2 3.76Å; F154-W247 HydrophobicContact CD1-CZ2 3.76Å; F154-W247 AromaticContact CD1-NE1 3.57Å; F154-W247 AromaticContact CE1-NE1 3.72Å; F154-W247 HydrophobicContact CG-CZ2 4.36Å | ||
| 155 | P | 96.8 | Very high | 97 | Very high | 19 Ų | 19 | 60.5 Ų | 60.5 | 12% | 0.123 | 37% | 0.369 | C | S | . | . | trans | -68.8 | 179.7 | 166.2 | 31.9 | -33.5 | 0 | 0 | 0 | 109.9 | W149 P199 W247 | W149-P155 HydrophobicContact CD2-CG 3.82Å; W149-P155 HydrophobicContact CE3-CG 4.3Å; W149-P155 HydrophobicContact CG-CG 4.16Å; W149-P155 HydrophobicContact CH2-CG 4.48Å; W149-P155 HydrophobicContact CZ2-CG 4.03Å; P155-P199 HydrophobicContact CB-CG 4.24Å; P155-P199 HydrophobicContact CG-CB 4.31Å; P155-P199 HydrophobicContact CG-CG 3.4Å; P155-W247 HydrophobicContact CG-CH2 3.84Å; P155-W247 HydrophobicContact CG-CZ3 4.31Å | ||
| 156 | G | 96.4 | Very high | 97 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 40% | 0.402 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -58.7 | 166.2 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y161 W247 | G156-Y161 VanDerWaalsContact C-OH 3.25Å; G156-Y161 WeakPolarHBondContact CA-OH 3.25Å; G156-Y161 PolarHBondContact N-OH 3.29Å; G156-Y161 PolarHBondContact O-OH 2.94Å; G156-W247 WeakPolarHBondContact O-CH2 3.5Å |
| 157 | P | 97.1 | Very high | 97 | Very high | 111 Ų | 111 | 64.6 Ų | 64.6 | 72% | 0.721 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 155.5 | -178.8 | 26.5 | -35.2 | 0 | 0 | 0 | 112.5 | P160 Y161 | P157-P160 WeakPolarHBondContact O-CD 3.3Å; P157-Y161 VanDerWaalsContact O-CE2 3.28Å; P157-Y161 WeakPolarHBondContact O-CE2 3.4Å |
| 158 | Q | 97.8 | Very high | 97 | Very high | 48 Ų | 48 | 66.8 Ų | 66.8 | 22% | 0.224 | 43% | 0.428 | C | S | . | . | S | Bend | trans | -57.2 | 150.8 | 175.4 | -55.5 | -167.6 | 141.5 | 0 | 0 | 112 | V197 W247 N248 | Q158-V197 HydrophobicContact CB-CG1 4.04Å; Q158-V197 HydrophobicContact CG-CG1 4.41Å; Q158-W247 HydrophobicContact CG-CE3 3.51Å; Q158-W247 HydrophobicContact CG-CZ3 3.62Å; Q158-W247 VanDerWaalsContact OE1-CA 3.27Å; Q158-N248 PolarHBondContact NE2-OD1 3.31Å |
| 159 | G | 97 | Very high | 97.1 | Very high | 58 Ų | 58 | 70 Ų | 70 | 60% | 0.598 | 43% | 0.434 | S | S | * | . | S | Bend | trans | 142.1 | -58.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y161 | G159-Y161 VanDerWaalsContact C-N 3.31Å; G159-Y161 PolarHBondContact O-N 3.38Å |
| 160 | P | 98 | Very high | 97.1 | Very high | 52 Ų | 52 | 70.2 Ų | 70.2 | 34% | 0.338 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -80.9 | -8.6 | -174.2 | 32.9 | -36.3 | 0 | 0 | 0 | 114.3 | P157 R169 | P157-P160 WeakPolarHBondContact O-CD 3.3Å; P160-R169 WeakPolarHBondContact O-CD 3.4Å |
| 161 | Y | 98.5 | Very high | 97.2 | Very high | 9 Ų | 9 | 69.2 Ų | 69.2 | 4% | 0.035 | 43% | 0.426 | C | S | . | . | trans | -88.3 | -35.9 | -169.6 | -46.4 | -66.6 | 0 | 0 | 0 | 114 | G156 P157 G159 C163 G164 P199 | G156-Y161 VanDerWaalsContact C-OH 3.25Å; G156-Y161 WeakPolarHBondContact CA-OH 3.25Å; G156-Y161 PolarHBondContact N-OH 3.29Å; G156-Y161 PolarHBondContact O-OH 2.94Å; P157-Y161 VanDerWaalsContact O-CE2 3.28Å; P157-Y161 WeakPolarHBondContact O-CE2 3.4Å; G159-Y161 VanDerWaalsContact C-N 3.31Å; G159-Y161 PolarHBondContact O-N 3.38Å; Y161-C163 PolarHBondContact O-N 3Å; Y161-G164 WeakPolarHBondContact O-CA 3.45Å; Y161-G164 PolarHBondContact O-N 3.3Å; Y161-P199 HydrophobicContact CD1-CB 3.73Å; Y161-P199 HydrophobicContact CD1-CG 4.28Å; Y161-P199 HydrophobicContact CD2-CB 4.16Å; Y161-P199 VanDerWaalsContact CD2-CD 3.49Å; Y161-P199 HydrophobicContact CD2-CG 3.92Å; Y161-P199 HydrophobicContact CE1-CB 3.88Å; Y161-P199 HydrophobicContact CE1-CG 4.15Å; Y161-P199 HydrophobicContact CE2-CB 4.28Å; Y161-P199 HydrophobicContact CE2-CG 3.75Å; Y161-P199 HydrophobicContact CG-CB 3.87Å; Y161-P199 HydrophobicContact CG-CG 4.16Å | ||
| 162 | Y | 98.6 | Very high | 97.4 | Very high | 117 Ų | 117 | 64.3 Ų | 64.3 | 46% | 0.459 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 122.4 | -179.2 | 179.8 | -103.9 | 0 | 0 | 0 | 110.5 | G164 A195 V197 | Y162-G164 PolarHBondContact O-N 3.48Å; Y162-A195 WeakPolarHBondContact CD2-O 3.32Å; Y162-V197 HydrophobicContact CD2-CG2 3.96Å; Y162-V197 HydrophobicContact CG-CG2 4.36Å |
| 163 | C | 98.5 | Very high | 97.7 | Very high | 77 Ų | 77 | 60.8 Ų | 60.8 | 52% | 0.52 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 25 | -172.8 | -66.5 | 0 | 0 | 0 | 0 | 114.2 | Y161 A195 | Y161-C163 PolarHBondContact O-N 3Å; C163-A195 PolarHBondContact N-O 2.94Å |
| 164 | G | 98.3 | Very high | 97.9 | Very high | 10 Ų | 10 | 65.2 Ų | 65.2 | 10% | 0.103 | 39% | 0.388 | C | S | . | . | trans | -70.7 | 155.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y161 Y162 R173 | Y161-G164 WeakPolarHBondContact O-CA 3.45Å; Y161-G164 PolarHBondContact O-N 3.3Å; Y162-G164 PolarHBondContact O-N 3.48Å; G164-R173 PolarHBondContact O-NH2 3.33Å | ||
| 165 | V | 98.7 | Very high | 98 | Very high | 124 Ų | 124 | 59 Ų | 59 | 75% | 0.752 | 36% | 0.36 | S | S | * | . | trans | -134 | 144.2 | 174.2 | 64.4 | 0 | 0 | 0 | 0 | 109.3 | R169 | V165-R169 WeakPolarHBondContact O-CG 3.24Š| ||
| 166 | G | 98.2 | Very high | 98.1 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 38% | 0.381 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 110.2 | 157.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113 | D168 R169 A170 | G166-D168 VanDerWaalsContact C-N 3.25Å; G166-D168 PolarHBondContact O-N 3.42Å; G166-R169 PolarHBondContact O-N 3.4Å; G166-R169 VanDerWaalsContact O-N 3.15Å; G166-A170 PolarHBondContact O-N 2.96Å; G166-A170 VanDerWaalsContact O-N 3.12Å |
| 167 | A | 97.9 | Very high | 98.2 | Very high | 96 Ų | 96 | 61.3 Ų | 61.3 | 79% | 0.793 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -26 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | R169 Y171 | A167-R169 VanDerWaalsContact C-N 3.33Å; A167-Y171 WeakPolarHBondContact O-CE1 3.23Å |
| 168 | D | 97.5 | Very high | 98.3 | Very high | 86 Ų | 86 | 57.7 Ų | 57.7 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 10.2 | 178 | 67.6 | -43.3 | 0 | 0 | 0 | 113.3 | G166 | G166-D168 VanDerWaalsContact C-N 3.25Å; G166-D168 PolarHBondContact O-N 3.42Å |
| 169 | R | 98 | Very high | 98.4 | Very high | 87 Ų | 87 | 55.5 Ų | 55.5 | 33% | 0.328 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.3 | -48 | -174.9 | -56.1 | -62 | 177.4 | -130.8 | 1.4 | 113.1 | P160 V165 G166 A167 | P160-R169 WeakPolarHBondContact O-CD 3.4Å; V165-R169 WeakPolarHBondContact O-CG 3.24Å; G166-R169 PolarHBondContact O-N 3.4Å; G166-R169 VanDerWaalsContact O-N 3.15Å; A167-R169 VanDerWaalsContact C-N 3.33Å |
| 170 | A | 98.5 | Very high | 98.5 | Very high | 16 Ų | 16 | 55.7 Ų | 55.7 | 13% | 0.132 | 31% | 0.312 | C | S | . | . | trans | -120.5 | 95.5 | -166 | 0 | 0 | 0 | 0 | 0 | 112.4 | G166 W202 | G166-A170 PolarHBondContact O-N 2.96Å; G166-A170 VanDerWaalsContact O-N 3.12Å; A170-W202 HydrophobicContact CB-CH2 4Å; A170-W202 HydrophobicContact CB-CZ2 4.31Å | ||
| 171 | Y | 98.1 | Very high | 98.5 | Very high | 42 Ų | 42 | 61.8 Ų | 61.8 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 122.3 | -176.4 | -49 | -32.8 | 0 | 0 | 0 | 111.6 | A167 P199 A200 W202 | A167-Y171 WeakPolarHBondContact O-CE1 3.23Å; Y171-P199 HydrophobicContact CD2-CB 3.89Å; Y171-P199 HydrophobicContact CE2-CB 3.61Å; Y171-A200 HydrophobicContact CD2-CB 4.37Å; Y171-W202 WeakPolarHBondContact O-CZ2 3.39Å; Y171-W202 PolarHBondContact O-NE1 3.13Å |
| 172 | G | 98.1 | Very high | 98.5 | Very high | 9 Ų | 9 | 61.9 Ų | 61.9 | 9% | 0.093 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | 23.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D174 I175 | G172-D174 PolarHBondContact O-N 3.47Å; G172-D174 VanDerWaalsContact O-N 3.13Å; G172-I175 WeakPolarHBondContact O-CB 3.17Å; G172-I175 WeakPolarHBondContact O-CD1 3.45Å; G172-I175 PolarHBondContact O-N 3.08Å; G172-I175 VanDerWaalsContact O-N 3.08Å |
| 173 | R | 98.8 | Very high | 98.5 | Very high | 85 Ų | 85 | 56.3 Ų | 56.3 | 32% | 0.321 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.5 | -31.8 | 179.4 | -172.7 | 177.9 | -59.9 | -80.2 | -0.6 | 113.4 | G164 I175 V176 E177 W202 | G164-R173 PolarHBondContact O-NH2 3.33Å; R173-I175 PolarHBondContact O-N 3.18Å; R173-V176 WeakPolarHBondContact O-CA 3.29Å; R173-V176 WeakPolarHBondContact O-CB 3.34Å; R173-V176 PolarHBondContact O-N 2.87Å; R173-E177 HydrophobicContact CG-CG 3.98Å; R173-E177 WeakPolarHBondContact O-CG 3.37Å; R173-E177 PolarHBondContact O-N 2.84Å; R173-W202 HydrophobicContact CB-CH2 3.82Å; R173-W202 HydrophobicContact CB-CZ2 4.19Å; R173-W202 HydrophobicContact CG-CH2 4.09Å |
| 174 | D | 98.7 | Very high | 98.6 | Very high | 112 Ų | 112 | 56.9 Ų | 56.9 | 60% | 0.599 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -57.5 | -37.1 | 178.2 | -58.8 | -59.7 | 0 | 0 | 0 | 112.9 | G172 V176 A178 F232 | G172-D174 PolarHBondContact O-N 3.47Å; G172-D174 VanDerWaalsContact O-N 3.13Å; D174-V176 VanDerWaalsContact C-N 3.33Å; D174-A178 VanDerWaalsContact O-CB 3.23Å; D174-A178 WeakPolarHBondContact O-CB 3.48Å; D174-A178 PolarHBondContact O-N 3.49Å; D174-F232 HydrophobicContact CB-CE1 3.84Å; D174-F232 HydrophobicContact CB-CZ 3.89Å |
| 175 | I | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 59.6 Ų | 59.6 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 175 | -70.7 | 87.6 | 0 | 0 | 0 | 109.7 | L139 G172 R173 A178 H179 L225 V228 F232 V234 | L139-I175 HydrophobicContact CD1-CB 4.35Å; L139-I175 HydrophobicContact CD1-CD1 4.26Å; L139-I175 HydrophobicContact CD2-CG2 4.18Å; G172-I175 WeakPolarHBondContact O-CB 3.17Å; G172-I175 WeakPolarHBondContact O-CD1 3.45Å; G172-I175 PolarHBondContact O-N 3.08Å; G172-I175 VanDerWaalsContact O-N 3.08Å; R173-I175 PolarHBondContact O-N 3.18Å; I175-A178 PolarHBondContact O-N 3.49Å; I175-H179 WeakPolarHBondContact O-CB 3.17Å; I175-H179 PolarHBondContact O-N 3.48Å; I175-L225 HydrophobicContact CG2-CD1 3.85Å; I175-V228 HydrophobicContact CG2-CG1 4.1Å; I175-F232 HydrophobicContact CD1-CB 4.18Å; I175-F232 HydrophobicContact CD1-CD1 4.44Å; I175-F232 HydrophobicContact CD1-CD2 4.42Å; I175-F232 HydrophobicContact CD1-CG 4.11Å; I175-F232 HydrophobicContact CG1-CB 4.1Å; I175-F232 HydrophobicContact CG1-CD2 3.86Å; I175-F232 HydrophobicContact CG1-CE2 4.49Å; I175-F232 HydrophobicContact CG1-CG 4Å; I175-V234 HydrophobicContact CD1-CG2 4.08Å; I175-V234 HydrophobicContact CG1-CG2 3.96Å |
| 176 | V | 98.9 | Very high | 98.6 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.4 | -47.2 | -177.4 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | Y137 R173 D174 A178 H179 Y180 T193 W202 | Y137-V176 WeakPolarHBondContact OH-CG2 3.3Å; R173-V176 WeakPolarHBondContact O-CA 3.29Å; R173-V176 WeakPolarHBondContact O-CB 3.34Å; R173-V176 PolarHBondContact O-N 2.87Å; D174-V176 VanDerWaalsContact C-N 3.33Å; V176-A178 PolarHBondContact O-N 3.01Å; V176-H179 PolarHBondContact O-N 2.88Å; V176-Y180 WeakPolarHBondContact O-CB 3.18Å; V176-Y180 PolarHBondContact O-N 2.88Å; V176-T193 HydrophobicContact CG1-CG2 3.89Å; V176-T193 VanDerWaalsContact CG1-OG1 3.26Å; V176-T193 WeakPolarHBondContact CG1-OG1 3.33Å; V176-W202 HydrophobicContact CB-CE3 4.28Å; V176-W202 HydrophobicContact CB-CZ3 4.45Å; V176-W202 HydrophobicContact CG1-CE3 4.21Å; V176-W202 HydrophobicContact CG1-CZ3 4.48Å; V176-W202 HydrophobicContact CG2-CB 4.21Å; V176-W202 HydrophobicContact CG2-CD2 3.36Å; V176-W202 HydrophobicContact CG2-CE3 3.47Å; V176-W202 VanDerWaalsContact CG2-CE3 3.47Å; V176-W202 HydrophobicContact CG2-CG 3.69Å; V176-W202 HydrophobicContact CG2-CH2 4.32Å; V176-W202 HydrophobicContact CG2-CZ2 4.24Å; V176-W202 HydrophobicContact CG2-CZ3 3.95Å |
| 177 | E | 98.9 | Very high | 98.6 | Very high | 103 Ų | 103 | 54.3 Ų | 54.3 | 48% | 0.481 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 178.6 | -64.5 | -67.8 | 165.7 | 0 | 0 | 111.6 | R173 Y180 R181 | R173-E177 HydrophobicContact CG-CG 3.98Å; R173-E177 WeakPolarHBondContact O-CG 3.37Å; R173-E177 PolarHBondContact O-N 2.84Å; E177-Y180 PolarHBondContact O-N 3.4Å; E177-R181 WeakPolarHBondContact O-CG 3.45Å; E177-R181 PolarHBondContact O-N 3.17Å; E177-R181 VanDerWaalsContact O-N 3.14Å |
| 178 | A | 98.9 | Very high | 98.7 | Very high | 36 Ų | 36 | 50 Ų | 50 | 30% | 0.298 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -65.5 | -45.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | D174 I175 V176 Y180 R181 A182 V228 F232 | D174-A178 VanDerWaalsContact O-CB 3.23Å; D174-A178 WeakPolarHBondContact O-CB 3.48Å; D174-A178 PolarHBondContact O-N 3.49Å; I175-A178 PolarHBondContact O-N 3.49Å; V176-A178 PolarHBondContact O-N 3.01Å; A178-Y180 VanDerWaalsContact C-N 3.35Å; A178-Y180 PolarHBondContact O-N 3.49Å; A178-R181 PolarHBondContact O-N 2.88Å; A178-A182 VanDerWaalsContact O-CB 3.25Å; A178-A182 WeakPolarHBondContact O-CB 3.35Å; A178-A182 PolarHBondContact O-N 3.41Å; A178-V228 HydrophobicContact CB-CG1 3.86Å; A178-F232 HydrophobicContact CB-CE2 4.06Å |
| 179 | H | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 176 | 173.2 | -102.3 | 0 | 0 | 0 | 111.8 | I175 V176 R181 A182 C183 F204 A221 L225 | I175-H179 WeakPolarHBondContact O-CB 3.17Å; I175-H179 PolarHBondContact O-N 3.48Å; V176-H179 PolarHBondContact O-N 2.88Å; H179-R181 PolarHBondContact O-N 2.99Å; H179-A182 PolarHBondContact O-N 3.02Å; H179-C183 VanDerWaalsContact CE1-SG 3.58Å; H179-C183 PolarHBondContact NE2-SG 3.39Å; H179-C183 VanDerWaalsContact NE2-SG 3.39Å; H179-C183 WeakPolarHBondContact O-CB 3.43Å; H179-C183 PolarHBondContact O-N 2.98Å; H179-C183 PolarHBondContact O-SG 2.98Å; H179-C183 VanDerWaalsContact O-SG 3.41Å; H179-F204 AromaticContact CE1-CD1 3.64Å; H179-F204 AromaticContact CE1-CE1 3.89Å; H179-F204 AromaticContact CE1-CG 3.71Å; H179-A221 PolarHBondContact NE2-O 3.41Å; H179-L225 HydrophobicContact CB-CD1 4.37Å; H179-L225 VanDerWaalsContact CD2-CA 3.49Å; H179-L225 WeakPolarHBondContact CD2-CA 3.43Å; H179-L225 PolarHBondContact CD2-N 3.26Å |
| 180 | Y | 98.9 | Very high | 98.8 | Very high | 62 Ų | 62 | 47.7 Ų | 47.7 | 24% | 0.243 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.3 | -52.2 | 178.5 | -158.4 | -52.1 | 0 | 0 | 0 | 110.4 | V176 E177 A178 A182 C183 L184 I190 T193 | V176-Y180 WeakPolarHBondContact O-CB 3.18Å; V176-Y180 PolarHBondContact O-N 2.88Å; E177-Y180 PolarHBondContact O-N 3.4Å; A178-Y180 VanDerWaalsContact C-N 3.35Å; A178-Y180 PolarHBondContact O-N 3.49Å; Y180-A182 VanDerWaalsContact C-N 3.32Å; Y180-A182 PolarHBondContact O-N 3.39Å; Y180-C183 PolarHBondContact O-N 3.33Å; Y180-L184 HydrophobicContact CD1-CD1 3.67Å; Y180-L184 HydrophobicContact CD1-CG 3.82Å; Y180-L184 HydrophobicContact CE1-CD1 3.68Å; Y180-L184 HydrophobicContact CE1-CD2 4.13Å; Y180-L184 HydrophobicContact CE1-CG 3.84Å; Y180-L184 WeakPolarHBondContact O-CG 3.33Å; Y180-L184 PolarHBondContact O-N 3.2Å; Y180-I190 HydrophobicContact CD1-CD1 4.23Å; Y180-I190 HydrophobicContact CD1-CG2 4.12Å; Y180-I190 HydrophobicContact CD2-CD1 4.07Å; Y180-I190 HydrophobicContact CE1-CD1 4.49Å; Y180-I190 HydrophobicContact CE1-CG2 3.87Å; Y180-I190 HydrophobicContact CE2-CD1 4.38Å; Y180-I190 HydrophobicContact CG-CD1 3.99Å; Y180-T193 HydrophobicContact CD2-CG2 3.61Å; Y180-T193 HydrophobicContact CE2-CG2 3.79Å |
| 181 | R | 98.9 | Very high | 98.8 | Very high | 179 Ų | 179 | 49.9 Ų | 49.9 | 68% | 0.675 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.7 | -37.6 | -179.8 | -65.1 | -69.2 | -106 | 141.7 | -4.3 | 112 | E177 A178 H179 L184 Y185 | E177-R181 WeakPolarHBondContact O-CG 3.45Å; E177-R181 PolarHBondContact O-N 3.17Å; E177-R181 VanDerWaalsContact O-N 3.14Å; A178-R181 PolarHBondContact O-N 2.88Å; H179-R181 PolarHBondContact O-N 2.99Å; R181-L184 PolarHBondContact O-N 2.81Å; R181-Y185 WeakPolarHBondContact O-CB 3.19Å; R181-Y185 PolarHBondContact O-N 2.99Å |
| 182 | A | 98.9 | Very high | 98.8 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 10% | 0.099 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | P88 A178 H179 Y180 Y185 A186 I224 | P88-A182 HydrophobicContact CB-CB 3.74Å; P88-A182 HydrophobicContact CG-CB 3.91Å; A178-A182 VanDerWaalsContact O-CB 3.25Å; A178-A182 WeakPolarHBondContact O-CB 3.35Å; A178-A182 PolarHBondContact O-N 3.41Å; H179-A182 PolarHBondContact O-N 3.02Å; Y180-A182 VanDerWaalsContact C-N 3.32Å; Y180-A182 PolarHBondContact O-N 3.39Å; A182-Y185 PolarHBondContact O-N 2.92Å; A182-A186 VanDerWaalsContact O-CB 3.24Å; A182-A186 WeakPolarHBondContact O-CB 3.49Å; A182-A186 PolarHBondContact O-N 3.4Å; A182-I224 HydrophobicContact CB-CG2 3.51Å |
| 183 | C | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.8 | -48 | 174.7 | -75.4 | 0 | 0 | 0 | 0 | 111.9 | H179 Y180 Y185 A186 G187 V188 I190 | H179-C183 VanDerWaalsContact CE1-SG 3.58Å; H179-C183 PolarHBondContact NE2-SG 3.39Å; H179-C183 VanDerWaalsContact NE2-SG 3.39Å; H179-C183 WeakPolarHBondContact O-CB 3.43Å; H179-C183 PolarHBondContact O-N 2.98Å; H179-C183 PolarHBondContact O-SG 2.98Å; H179-C183 VanDerWaalsContact O-SG 3.41Å; Y180-C183 PolarHBondContact O-N 3.33Å; C183-Y185 VanDerWaalsContact C-N 3.34Å; C183-Y185 PolarHBondContact O-N 2.72Å; C183-A186 PolarHBondContact O-N 2.75Å; C183-G187 PolarHBondContact O-N 2.95Å; C183-G187 VanDerWaalsContact O-N 3.12Å; C183-V188 HydrophobicContact CB-CB 3.95Å; C183-V188 HydrophobicContact CB-CG1 4.24Å; C183-V188 PolarHBondContact O-N 3.02Å; C183-I190 HydrophobicContact CB-CB 4.03Å; C183-I190 HydrophobicContact CB-CD1 4.15Å; C183-I190 HydrophobicContact CB-CG2 3.82Å |
| 184 | L | 98.9 | Very high | 98.9 | Very high | 88 Ų | 88 | 47.6 Ų | 47.6 | 46% | 0.461 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.1 | -46 | 176.1 | -72.7 | 177.8 | 0 | 0 | 0 | 111.9 | Y180 R181 G187 I190 | Y180-L184 HydrophobicContact CD1-CD1 3.67Å; Y180-L184 HydrophobicContact CD1-CG 3.82Å; Y180-L184 HydrophobicContact CE1-CD1 3.68Å; Y180-L184 HydrophobicContact CE1-CD2 4.13Å; Y180-L184 HydrophobicContact CE1-CG 3.84Å; Y180-L184 WeakPolarHBondContact O-CG 3.33Å; Y180-L184 PolarHBondContact O-N 3.2Å; R181-L184 PolarHBondContact O-N 2.81Å; L184-G187 PolarHBondContact O-N 2.7Å; L184-I190 HydrophobicContact CD2-CG2 3.76Å; L184-I190 HydrophobicContact CG-CG2 3.99Å |
| 185 | Y | 98.9 | Very high | 98.9 | Very high | 67 Ų | 67 | 42.6 Ų | 42.6 | 26% | 0.263 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62 | -45.3 | 177.9 | -179.4 | -83.3 | 0 | 0 | 0 | 111.6 | R86 P88 K91 D92 R181 A182 C183 G187 | R86-Y185 HydrophobicContact CB-CD1 4.16Å; R86-Y185 HydrophobicContact CB-CE1 3.81Å; R86-Y185 WeakPolarHBondContact CD-O 3.35Å; R86-Y185 VanDerWaalsContact CZ-CZ 3.47Å; R86-Y185 PolarHBondContact NH1-O 2.78Å; R86-Y185 PolarHBondContact NH2-OH 2.8Å; P88-Y185 HydrophobicContact CB-CD1 3.97Å; K91-Y185 WeakPolarHBondContact CA-OH 3.42Å; D92-Y185 PolarHBondContact N-OH 2.73Å; D92-Y185 PolarHBondContact OD1-OH 2.89Å; D92-Y185 PolarHBondContact OD2-OH 3.46Å; R181-Y185 WeakPolarHBondContact O-CB 3.19Å; R181-Y185 PolarHBondContact O-N 2.99Å; A182-Y185 PolarHBondContact O-N 2.92Å; C183-Y185 VanDerWaalsContact C-N 3.34Å; C183-Y185 PolarHBondContact O-N 2.72Å; Y185-G187 PolarHBondContact O-N 2.76Å |
| 186 | A | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.5 | -22.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F85 R86 P88 A182 C183 V188 I224 | F85-A186 HydrophobicContact CB-CB 4.43Å; R86-A186 PolarHBondContact N-O 2.91Å; R86-A186 WeakPolarHBondContact O-CA 3.36Å; R86-A186 WeakPolarHBondContact O-CB 3.45Å; P88-A186 HydrophobicContact CG-CB 4.48Å; A182-A186 VanDerWaalsContact O-CB 3.24Å; A182-A186 WeakPolarHBondContact O-CB 3.49Å; A182-A186 PolarHBondContact O-N 3.4Å; C183-A186 PolarHBondContact O-N 2.75Å; A186-V188 HydrophobicContact CB-CG2 4.17Å; A186-I224 HydrophobicContact CB-CD1 3.83Å |
| 187 | G | 98.8 | Very high | 98.8 | Very high | 46 Ų | 46 | 44.3 Ų | 44.3 | 47% | 0.474 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 18 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | C183 L184 Y185 H217 | C183-G187 PolarHBondContact O-N 2.95Å; C183-G187 VanDerWaalsContact O-N 3.12Å; L184-G187 PolarHBondContact O-N 2.7Å; Y185-G187 PolarHBondContact O-N 2.76Å; G187-H217 PolarHBondContact O-CE1 2.77Å |
| 188 | V | 98.9 | Very high | 98.8 | Very high | 6 Ų | 6 | 39.4 Ų | 39.4 | 4% | 0.036 | 22% | 0.215 | C | C | . | . | trans | -71.9 | 134.5 | 172 | 174.3 | 0 | 0 | 0 | 0 | 109.2 | F85 C183 A186 I190 I206 V220 A221 I224 | F85-V188 HydrophobicContact CD1-CG2 4.08Å; F85-V188 HydrophobicContact CE1-CG2 4.13Å; C183-V188 HydrophobicContact CB-CB 3.95Å; C183-V188 HydrophobicContact CB-CG1 4.24Å; C183-V188 PolarHBondContact O-N 3.02Å; A186-V188 HydrophobicContact CB-CG2 4.17Å; V188-I190 PolarHBondContact O-N 2.85Å; V188-I206 HydrophobicContact CG1-CD1 3.78Å; V188-V220 HydrophobicContact CG2-CG1 3.98Å; V188-A221 HydrophobicContact CG1-CB 4.02Å; V188-I224 HydrophobicContact CG2-CD1 4.08Å | ||
| 189 | K | 98.8 | Very high | 98.7 | Very high | 109 Ų | 109 | 37.8 Ų | 37.8 | 47% | 0.474 | 20% | 0.202 | S | C | . | . | trans | -74.1 | 58.7 | 178.5 | -69.6 | -175.8 | 118.1 | 93.8 | 0 | 112.3 | I206 G207 P208 H217 | K189-I206 CarbonylContact O-C 3.55Å; K189-I206 WeakPolarHBondContact O-CA 3.34Å; K189-G207 PolarHBondContact O-N 2.86Å; K189-P208 WeakPolarHBondContact CD-O 3.28Å; K189-P208 WeakPolarHBondContact CE-O 3.45Å; K189-H217 PolarHBondContact N-ND1 2.78Å | ||
| 190 | I | 98.9 | Very high | 98.7 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 127.4 | 171.4 | -167.8 | 170.9 | 0 | 0 | 0 | 109.5 | Y180 C183 L184 V188 F204 Q205 I206 | Y180-I190 HydrophobicContact CD1-CD1 4.23Å; Y180-I190 HydrophobicContact CD1-CG2 4.12Å; Y180-I190 HydrophobicContact CD2-CD1 4.07Å; Y180-I190 HydrophobicContact CE1-CD1 4.49Å; Y180-I190 HydrophobicContact CE1-CG2 3.87Å; Y180-I190 HydrophobicContact CE2-CD1 4.38Å; Y180-I190 HydrophobicContact CG-CD1 3.99Å; C183-I190 HydrophobicContact CB-CB 4.03Å; C183-I190 HydrophobicContact CB-CD1 4.15Å; C183-I190 HydrophobicContact CB-CG2 3.82Å; L184-I190 HydrophobicContact CD2-CG2 3.76Å; L184-I190 HydrophobicContact CG-CG2 3.99Å; V188-I190 PolarHBondContact O-N 2.85Å; I190-F204 HydrophobicContact CD1-CB 4.22Å; I190-Q205 CarbonylContact C-O 3.55Å; I190-Q205 WeakPolarHBondContact CA-O 3.44Å; I190-I206 HydrophobicContact CB-CD1 4.1Å; I190-I206 HydrophobicContact CG1-CD1 4.3Å |
| 191 | A | 98.7 | Very high | 98.7 | Very high | 62 Ų | 62 | 35 Ų | 35 | 51% | 0.512 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -27.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q205 G207 | A191-Q205 HydrophobicContact CB-CB 4.09Å; A191-Q205 PolarHBondContact N-O 2.93Å; A191-G207 WeakPolarHBondContact CB-O 3.31Å |
| 192 | G | 98.8 | Very high | 98.7 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | -178.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F204 Q205 | G192-F204 WeakPolarHBondContact O-CA 3.29Å; G192-Q205 PolarHBondContact O-N 3.46Å; G192-Q205 PolarHBondContact O-OE1 2.85Å |
| 193 | T | 98.9 | Very high | 98.7 | Very high | 49 Ų | 49 | 26.5 Ų | 26.5 | 30% | 0.301 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.6 | 157 | 174.5 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | V176 Y180 E203 Q205 | V176-T193 HydrophobicContact CG1-CG2 3.89Å; V176-T193 VanDerWaalsContact CG1-OG1 3.26Å; V176-T193 WeakPolarHBondContact CG1-OG1 3.33Å; Y180-T193 HydrophobicContact CD2-CG2 3.61Å; Y180-T193 HydrophobicContact CE2-CG2 3.79Å; T193-E203 WeakPolarHBondContact CA-O 3.25Å; T193-E203 VanDerWaalsContact CB-O 3.28Å; T193-E203 WeakPolarHBondContact CB-O 3.39Å; T193-E203 PolarHBondContact OG1-O 3.37Å; T193-Q205 VanDerWaalsContact N-OE1 3.16Å |
| 194 | N | 98.8 | Very high | 98.7 | Very high | 28 Ų | 28 | 26.6 Ų | 26.6 | 15% | 0.15 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 157 | 168.7 | 52.1 | -80.4 | 0 | 0 | 0 | 110.9 | E196 E203 Q205 | N194-E196 PolarHBondContact ND2-OE1 3.12Å; N194-E203 PolarHBondContact N-O 3.09Å; N194-E203 PolarHBondContact O-N 2.89Å; N194-Q205 PolarHBondContact OD1-NE2 3.37Å |
| 195 | A | 98.8 | Very high | 98.7 | Very high | 7 Ų | 7 | 24.2 Ų | 24.2 | 6% | 0.058 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 131.7 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | Y162 C163 W202 | Y162-A195 WeakPolarHBondContact CD2-O 3.32Å; C163-A195 PolarHBondContact N-O 2.94Å; A195-W202 VanDerWaalsContact CA-CE3 3.43Å; A195-W202 HydrophobicContact CB-CD2 4.42Å; A195-W202 HydrophobicContact CB-CE3 3.77Å; A195-W202 HydrophobicContact CB-CH2 4.07Å; A195-W202 HydrophobicContact CB-CZ3 3.58Å |
| 196 | E | 98.6 | Very high | 98.7 | Very high | 14 Ų | 14 | 21 Ų | 21 | 7% | 0.065 | 13% | 0.132 | C | C | . | . | trans | -86.3 | 176.9 | -178.1 | -100.7 | -52.3 | 125.8 | 0 | 0 | 112.6 | E136 N194 M198 Q201 E203 | E136-E196 HydrophobicContact CG-CG 4.13Å; N194-E196 PolarHBondContact ND2-OE1 3.12Å; E196-M198 PolarHBondContact O-N 3.17Å; E196-Q201 HydrophobicContact CB-CB 3.77Å; E196-Q201 HydrophobicContact CB-CG 3.6Å; E196-Q201 HydrophobicContact CG-CG 4.25Å; E196-Q201 PolarHBondContact N-O 2.92Å; E196-E203 HydrophobicContact CG-CB 4.08Å | ||
| 197 | V | 98.1 | Very high | 98.7 | Very high | 29 Ų | 29 | 21.3 Ų | 21.3 | 18% | 0.176 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -63.8 | -39.7 | -173.9 | 179.3 | 0 | 0 | 0 | 0 | 113 | Q158 Y162 N248 | Q158-V197 HydrophobicContact CB-CG1 4.04Å; Q158-V197 HydrophobicContact CG-CG1 4.41Å; Y162-V197 HydrophobicContact CD2-CG2 3.96Å; Y162-V197 HydrophobicContact CG-CG2 4.36Å; V197-N248 HydrophobicContact CB-CB 4.27Å; V197-N248 WeakPolarHBondContact CB-ND2 3.46Å |
| 198 | M | 98.2 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -79.9 | 135 | 175.9 | -172.8 | -179.5 | 72.8 | 0 | 0 | 109.8 | T138 W149 E196 A200 Q201 P242 I243 W247 N248 | T138-M198 HydrophobicContact CG2-CE 3.29Å; T138-M198 WeakPolarHBondContact OG1-CE 3.49Å; W149-M198 HydrophobicContact CH2-SD 4.43Å; W149-M198 HydrophobicContact CZ2-CG 3.88Å; W149-M198 HydrophobicContact CZ2-SD 4.06Å; E196-M198 PolarHBondContact O-N 3.17Å; M198-A200 PolarHBondContact O-N 3.08Å; M198-Q201 HydrophobicContact CB-CB 3.87Å; M198-Q201 HydrophobicContact CE-CB 4.07Å; M198-Q201 WeakPolarHBondContact O-CA 3.45Å; M198-Q201 WeakPolarHBondContact O-CB 3.21Å; M198-Q201 PolarHBondContact O-N 3.09Å; M198-P242 HydrophobicContact CE-CG 4.07Å; M198-I243 HydrophobicContact SD-CB 4.3Å; M198-I243 HydrophobicContact SD-CG1 4.09Å; M198-W247 HydrophobicContact CG-CB 4.37Å; M198-W247 HydrophobicContact CG-CE3 3.91Å; M198-W247 HydrophobicContact SD-CB 3.85Å; M198-W247 HydrophobicContact SD-CG 4.44Å; M198-N248 HydrophobicContact CB-CB 4.45Å |
| 199 | P | 98.2 | Very high | 98.7 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.013 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | 136.4 | 175.2 | 19.3 | -25.7 | 0 | 0 | 0 | 111.1 | W149 P155 Y161 Y171 Q201 W247 | W149-P199 HydrophobicContact CZ2-CG 3.89Å; W149-P199 PolarHBondContact NE1-O 3.37Å; P155-P199 HydrophobicContact CB-CG 4.24Å; P155-P199 HydrophobicContact CG-CB 4.31Å; P155-P199 HydrophobicContact CG-CG 3.4Å; Y161-P199 HydrophobicContact CD1-CB 3.73Å; Y161-P199 HydrophobicContact CD1-CG 4.28Å; Y161-P199 HydrophobicContact CD2-CB 4.16Å; Y161-P199 VanDerWaalsContact CD2-CD 3.49Å; Y161-P199 HydrophobicContact CD2-CG 3.92Å; Y161-P199 HydrophobicContact CE1-CB 3.88Å; Y161-P199 HydrophobicContact CE1-CG 4.15Å; Y161-P199 HydrophobicContact CE2-CB 4.28Å; Y161-P199 HydrophobicContact CE2-CG 3.75Å; Y161-P199 HydrophobicContact CG-CB 3.87Å; Y161-P199 HydrophobicContact CG-CG 4.16Å; Y171-P199 HydrophobicContact CD2-CB 3.89Å; Y171-P199 HydrophobicContact CE2-CB 3.61Å; P199-Q201 PolarHBondContact O-N 3.21Å; P199-W247 HydrophobicContact CG-CZ3 4.04Å |
| 200 | A | 98.3 | Very high | 98.7 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 3% | 0.025 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 2.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L139 F147 Y171 M198 | L139-A200 HydrophobicContact CB-CB 4.47Å; L139-A200 PolarHBondContact N-O 2.93Å; F147-A200 WeakPolarHBondContact O-CB 3.3Å; Y171-A200 HydrophobicContact CD2-CB 4.37Å; M198-A200 PolarHBondContact O-N 3.08Å |
| 201 | Q | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 143.8 | 166.7 | -164.9 | -179.1 | -6.7 | 0 | 0 | 110.1 | E136 Y137 E196 M198 P199 G249 | E136-Q201 PolarHBondContact OE2-NE2 2.74Å; E136-Q201 VanDerWaalsContact OE2-NE2 3.08Å; Y137-Q201 VanDerWaalsContact O-CA 3.31Å; Y137-Q201 WeakPolarHBondContact O-CA 3.16Å; Y137-Q201 VanDerWaalsContact O-CG 3.22Å; Y137-Q201 WeakPolarHBondContact O-CG 3.29Å; E196-Q201 HydrophobicContact CB-CB 3.77Å; E196-Q201 HydrophobicContact CB-CG 3.6Å; E196-Q201 HydrophobicContact CG-CG 4.25Å; E196-Q201 PolarHBondContact N-O 2.92Å; M198-Q201 HydrophobicContact CB-CB 3.87Å; M198-Q201 HydrophobicContact CE-CB 4.07Å; M198-Q201 WeakPolarHBondContact O-CA 3.45Å; M198-Q201 WeakPolarHBondContact O-CB 3.21Å; M198-Q201 PolarHBondContact O-N 3.09Å; P199-Q201 PolarHBondContact O-N 3.21Å; Q201-G249 PolarHBondContact NE2-O 3.19Å |
| 202 | W | 98.9 | Very high | 98.7 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 1% | 0.011 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 161.9 | -177.8 | -62.8 | 90.6 | 0 | 0 | 0 | 110 | E136 Y137 A170 Y171 R173 V176 A195 | E136-W202 CarbonylContact C-O 3.24Å; E136-W202 WeakPolarHBondContact CA-O 3.36Å; Y137-W202 HydrophobicContact CD1-CB 4.37Å; Y137-W202 VanDerWaalsContact CD1-O 3.3Å; Y137-W202 WeakPolarHBondContact CD1-O 3.22Å; Y137-W202 HydrophobicContact CE1-CB 3.64Å; Y137-W202 HydrophobicContact CE2-CB 4.02Å; Y137-W202 VanDerWaalsContact CZ-CB 3.48Å; Y137-W202 PolarHBondContact N-O 2.87Å; Y137-W202 PolarHBondContact O-N 3.46Å; A170-W202 HydrophobicContact CB-CH2 4Å; A170-W202 HydrophobicContact CB-CZ2 4.31Å; Y171-W202 WeakPolarHBondContact O-CZ2 3.39Å; Y171-W202 PolarHBondContact O-NE1 3.13Å; R173-W202 HydrophobicContact CB-CH2 3.82Å; R173-W202 HydrophobicContact CB-CZ2 4.19Å; R173-W202 HydrophobicContact CG-CH2 4.09Å; V176-W202 HydrophobicContact CB-CE3 4.28Å; V176-W202 HydrophobicContact CB-CZ3 4.45Å; V176-W202 HydrophobicContact CG1-CE3 4.21Å; V176-W202 HydrophobicContact CG1-CZ3 4.48Å; V176-W202 HydrophobicContact CG2-CB 4.21Å; V176-W202 HydrophobicContact CG2-CD2 3.36Å; V176-W202 HydrophobicContact CG2-CE3 3.47Å; V176-W202 VanDerWaalsContact CG2-CE3 3.47Å; V176-W202 HydrophobicContact CG2-CG 3.69Å; V176-W202 HydrophobicContact CG2-CH2 4.32Å; V176-W202 HydrophobicContact CG2-CZ2 4.24Å; V176-W202 HydrophobicContact CG2-CZ3 3.95Å; A195-W202 VanDerWaalsContact CA-CE3 3.43Å; A195-W202 HydrophobicContact CB-CD2 4.42Å; A195-W202 HydrophobicContact CB-CE3 3.77Å; A195-W202 HydrophobicContact CB-CH2 4.07Å; A195-W202 HydrophobicContact CB-CZ3 3.58Å |
| 203 | E | 98.9 | Very high | 98.7 | Very high | 11 Ų | 11 | 20.3 Ų | 20.3 | 5% | 0.051 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 144.8 | 174.1 | -168.6 | -177.5 | 119 | 0 | 0 | 110.5 | E134 Q135 E136 T193 N194 E196 Q205 | E134-E203 HydrophobicContact CB-CG 4.37Å; E134-E203 WeakPolarHBondContact CB-OE1 3.47Å; E134-E203 WeakPolarHBondContact CG-OE1 3.36Å; Q135-E203 VanDerWaalsContact O-CA 3.3Å; Q135-E203 WeakPolarHBondContact O-CA 3.43Å; E136-E203 HydrophobicContact CG-CB 4.23Å; E136-E203 HydrophobicContact CG-CG 3.97Å; T193-E203 WeakPolarHBondContact CA-O 3.25Å; T193-E203 VanDerWaalsContact CB-O 3.28Å; T193-E203 WeakPolarHBondContact CB-O 3.39Å; T193-E203 PolarHBondContact OG1-O 3.37Å; N194-E203 PolarHBondContact N-O 3.09Å; N194-E203 PolarHBondContact O-N 2.89Å; E196-E203 HydrophobicContact CG-CB 4.08Å; E203-Q205 WeakPolarHBondContact OE1-CG 3.37Å; E203-Q205 PolarHBondContact OE1-NE2 2.89Å |
| 204 | F | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 142.2 | 159.6 | 64.6 | -94.2 | 0 | 0 | 0 | 110.2 | Q135 Y137 H179 I190 G192 I206 L218 A221 L225 | Q135-F204 HydrophobicContact CB-CD1 4.23Å; Q135-F204 HydrophobicContact CB-CD2 4.08Å; Q135-F204 HydrophobicContact CB-CE1 3.85Å; Q135-F204 HydrophobicContact CB-CE2 3.69Å; Q135-F204 HydrophobicContact CB-CG 4.35Å; Q135-F204 HydrophobicContact CB-CZ 3.58Å; Q135-F204 HydrophobicContact CG-CD1 4.25Å; Q135-F204 HydrophobicContact CG-CE1 3.48Å; Q135-F204 VanDerWaalsContact CG-CE1 3.48Å; Q135-F204 HydrophobicContact CG-CE2 4.04Å; Q135-F204 HydrophobicContact CG-CZ 3.38Å; Q135-F204 PolarHBondContact N-O 3.22Å; Q135-F204 PolarHBondContact O-N 3.21Å; Y137-F204 HydrophobicContact CD1-CD1 4.02Å; Y137-F204 HydrophobicContact CD1-CE1 4.11Å; Y137-F204 AromaticContact CE1-CD1 3.67Å; Y137-F204 HydrophobicContact CE1-CD1 3.67Å; Y137-F204 HydrophobicContact CE1-CE1 4.13Å; H179-F204 AromaticContact CE1-CD1 3.64Å; H179-F204 AromaticContact CE1-CE1 3.89Å; H179-F204 AromaticContact CE1-CG 3.71Å; I190-F204 HydrophobicContact CD1-CB 4.22Å; G192-F204 WeakPolarHBondContact O-CA 3.29Å; F204-I206 HydrophobicContact CD2-CD1 3.73Å; F204-I206 HydrophobicContact CD2-CG1 3.77Å; F204-I206 HydrophobicContact CE2-CD1 3.87Å; F204-I206 HydrophobicContact CE2-CG1 3.66Å; F204-L218 HydrophobicContact CE2-CD1 3.73Å; F204-L218 HydrophobicContact CZ-CD1 4.09Å; F204-A221 HydrophobicContact CD2-CB 4.5Å; F204-A221 HydrophobicContact CE2-CB 3.62Å; F204-A221 HydrophobicContact CZ-CB 4.06Å; F204-L225 HydrophobicContact CE1-CD2 3.98Å |
| 205 | Q | 98.9 | Very high | 98.7 | Very high | 38 Ų | 38 | 16.6 Ų | 16.6 | 18% | 0.178 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 132.5 | 179.1 | -56.6 | 86.4 | 42.4 | 0 | 0 | 110.1 | M133 E134 I190 A191 G192 T193 N194 E203 | M133-Q205 CarbonylContact O-C 3.58Å; M133-Q205 WeakPolarHBondContact O-CA 3.3Å; E134-Q205 HydrophobicContact CB-CG 4.47Å; E134-Q205 HydrophobicContact CG-CG 3.83Å; I190-Q205 CarbonylContact C-O 3.55Å; I190-Q205 WeakPolarHBondContact CA-O 3.44Å; A191-Q205 HydrophobicContact CB-CB 4.09Å; A191-Q205 PolarHBondContact N-O 2.93Å; G192-Q205 PolarHBondContact O-N 3.46Å; G192-Q205 PolarHBondContact O-OE1 2.85Å; T193-Q205 VanDerWaalsContact N-OE1 3.16Å; N194-Q205 PolarHBondContact OD1-NE2 3.37Å; E203-Q205 WeakPolarHBondContact OE1-CG 3.37Å; E203-Q205 PolarHBondContact OE1-NE2 2.89Å |
| 206 | I | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 16.9 Ų | 16.9 | 1% | 0.005 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.9 | 173.4 | -59.4 | -57.3 | 0 | 0 | 0 | 109 | G132 M133 V188 K189 I190 F204 M214 H217 L218 A221 | G132-I206 CarbonylContact C-O 3.58Å; G132-I206 WeakPolarHBondContact CA-O 3.37Å; M133-I206 PolarHBondContact N-O 3.44Å; M133-I206 PolarHBondContact O-N 3.18Å; V188-I206 HydrophobicContact CG1-CD1 3.78Å; K189-I206 CarbonylContact O-C 3.55Å; K189-I206 WeakPolarHBondContact O-CA 3.34Å; I190-I206 HydrophobicContact CB-CD1 4.1Å; I190-I206 HydrophobicContact CG1-CD1 4.3Å; F204-I206 HydrophobicContact CD2-CD1 3.73Å; F204-I206 HydrophobicContact CD2-CG1 3.77Å; F204-I206 HydrophobicContact CE2-CD1 3.87Å; F204-I206 HydrophobicContact CE2-CG1 3.66Å; I206-M214 HydrophobicContact CB-CE 3.69Å; I206-M214 HydrophobicContact CG2-CE 3.43Å; I206-M214 VanDerWaalsContact CG2-CE 3.43Å; I206-H217 HydrophobicContact CG2-CB 3.65Å; I206-L218 HydrophobicContact CG1-CD1 3.92Å; I206-A221 HydrophobicContact CD1-CB 3.74Å; I206-A221 HydrophobicContact CG1-CB 4.09Å |
| 207 | G | 98.4 | Very high | 98.7 | Very high | 10 Ų | 10 | 17.3 Ų | 17.3 | 10% | 0.103 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 131.2 | -172.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | K189 A191 | K189-G207 PolarHBondContact O-N 2.86Å; A191-G207 WeakPolarHBondContact CB-O 3.31Å |
| 208 | P | 98.8 | Very high | 98.8 | Very high | 83 Ų | 83 | 15.9 Ų | 15.9 | 54% | 0.539 | 9% | 0.091 | S | C | . | . | E | Extended strand (participates in β ladder) | cis | -66.2 | 135.2 | -4.6 | -19.8 | 32.9 | 0 | 0 | 0 | 112.5 | W130 F131 K189 | W130-P208 HydrophobicContact CE3-CB 4.26Å; F131-P208 CarbonylContact O-C 3.56Å; F131-P208 VanDerWaalsContact O-CA 3.3Å; F131-P208 WeakPolarHBondContact O-CA 3.46Å; K189-P208 WeakPolarHBondContact CD-O 3.28Å; K189-P208 WeakPolarHBondContact CE-O 3.45Å |
| 209 | C | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.007 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 139.4 | 175.8 | -69.3 | 0 | 0 | 0 | 0 | 109.9 | W130 F131 M214 H217 | W130-C209 CarbonylContact C-O 3.52Å; W130-C209 WeakPolarHBondContact CA-O 3.42Å; F131-C209 PolarHBondContact N-O 3.03Å; F131-C209 PolarHBondContact O-N 3.18Å; C209-M214 VanDerWaalsContact CB-CA 3.49Å; C209-M214 HydrophobicContact CB-CB 3.84Å; C209-M214 HydrophobicContact CB-CG 4.48Å; C209-M214 HydrophobicContact CB-SD 3.85Å; C209-H217 VanDerWaalsContact SG-CD2 3.55Å |
| 210 | E | 98.8 | Very high | 98.8 | Very high | 85 Ų | 85 | 15.9 Ų | 15.9 | 40% | 0.397 | 9% | 0.091 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 126.3 | 177.9 | -173.2 | 161.3 | 147.1 | 0 | 0 | 111 | H128 P129 W130 I212 S213 | H128-E210 IonicContact CE1-OE1 2.75Å; H128-E210 IonicContact CG-OE1 2.62Å; H128-E210 IonicContact ND1-OE1 3.79Å; H128-E210 PolarHBondContact ND1-OE1 2.72Å; H128-E210 IonicContact ND1-OE2 2.69Å; P129-E210 WeakPolarHBondContact O-CA 3.12Å; W130-E210 PolarHBondContact NE1-OE2 2.9Å; E210-I212 PolarHBondContact O-N 2.97Å; E210-S213 PolarHBondContact N-OG 3.15Å; E210-S213 VanDerWaalsContact N-OG 3.14Å; E210-S213 WeakPolarHBondContact O-CB 3.35Å; E210-S213 PolarHBondContact O-N 2.93Å; E210-S213 PolarHBondContact O-OG 3.32Å |
| 211 | G | 98.8 | Very high | 98.9 | Very high | 7 Ų | 7 | 15.8 Ų | 15.8 | 7% | 0.072 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | -128 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | M121 P129 S213 M214 | M121-G211 VanDerWaalsContact SD-CA 3.54Å; P129-G211 PolarHBondContact O-N 3.45Å; G211-S213 PolarHBondContact O-N 3.46Å; G211-S213 VanDerWaalsContact O-N 3.09Å; G211-M214 PolarHBondContact O-N 3.45Å |
| 212 | I | 98.8 | Very high | 98.9 | Very high | 21 Ų | 21 | 15.8 Ų | 15.8 | 11% | 0.108 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.2 | -174.4 | -161.4 | 60.5 | 0 | 0 | 0 | 113.7 | R114 C117 K118 M121 E210 M214 G215 D216 F349 | R114-I212 HydrophobicContact CG-CD1 3.97Å; R114-I212 HydrophobicContact CG-CG1 4.25Å; C117-I212 HydrophobicContact CB-CD1 3.97Å; K118-I212 HydrophobicContact CB-CD1 4Å; K118-I212 HydrophobicContact CB-CG1 4.15Å; K118-I212 HydrophobicContact CD-CB 4.11Å; K118-I212 HydrophobicContact CD-CG1 4.07Å; K118-I212 HydrophobicContact CD-CG2 4.03Å; M121-I212 HydrophobicContact CG-CB 4.46Å; E210-I212 PolarHBondContact O-N 2.97Å; I212-M214 PolarHBondContact O-N 3.1Å; I212-M214 VanDerWaalsContact O-N 3.14Å; I212-G215 PolarHBondContact O-N 3.33Å; I212-D216 PolarHBondContact O-N 3.3Å; I212-F349 HydrophobicContact CD1-CD1 3.75Å; I212-F349 HydrophobicContact CD1-CE1 3.82Å; I212-F349 HydrophobicContact CG1-CE1 4.3Å |
| 213 | S | 98.8 | Very high | 98.9 | Very high | 31 Ų | 31 | 16.1 Ų | 16.1 | 22% | 0.217 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.4 | -22.1 | -177.3 | 67.8 | 0 | 0 | 0 | 0 | 112.9 | E210 G211 D216 H217 | E210-S213 PolarHBondContact N-OG 3.15Å; E210-S213 VanDerWaalsContact N-OG 3.14Å; E210-S213 WeakPolarHBondContact O-CB 3.35Å; E210-S213 PolarHBondContact O-N 2.93Å; E210-S213 PolarHBondContact O-OG 3.32Å; G211-S213 PolarHBondContact O-N 3.46Å; G211-S213 VanDerWaalsContact O-N 3.09Å; S213-D216 PolarHBondContact O-N 3.04Å; S213-H217 WeakPolarHBondContact O-CB 3.42Å; S213-H217 PolarHBondContact O-CD2 3.41Å; S213-H217 PolarHBondContact O-N 3.1Å |
| 214 | M | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.6 | -49.5 | 175.5 | -175.6 | 66.6 | -112.8 | 0 | 0 | 111.6 | F131 M133 I206 C209 G211 I212 L218 T352 | F131-M214 HydrophobicContact CB-CB 3.88Å; F131-M214 HydrophobicContact CB-CG 3.49Å; F131-M214 VanDerWaalsContact CB-CG 3.49Å; F131-M214 HydrophobicContact CB-SD 3.62Å; F131-M214 HydrophobicContact CD2-CB 4.19Å; F131-M214 HydrophobicContact CG-CB 4.33Å; F131-M214 HydrophobicContact CG-CG 4.23Å; M133-M214 HydrophobicContact CB-CE 3.69Å; M133-M214 HydrophobicContact CB-SD 4.41Å; M133-M214 HydrophobicContact CE-CG 4.22Å; M133-M214 HydrophobicContact CG-CE 3.78Å; M133-M214 HydrophobicContact CG-CG 4.26Å; M133-M214 HydrophobicContact CG-SD 4.02Å; M133-M214 HydrophobicContact SD-CE 3.94Å; M133-M214 HydrophobicContact SD-CG 3.97Å; M133-M214 HydrophobicContact SD-SD 4.4Å; I206-M214 HydrophobicContact CB-CE 3.69Å; I206-M214 HydrophobicContact CG2-CE 3.43Å; I206-M214 VanDerWaalsContact CG2-CE 3.43Å; C209-M214 VanDerWaalsContact CB-CA 3.49Å; C209-M214 HydrophobicContact CB-CB 3.84Å; C209-M214 HydrophobicContact CB-CG 4.48Å; C209-M214 HydrophobicContact CB-SD 3.85Å; G211-M214 PolarHBondContact O-N 3.45Å; I212-M214 PolarHBondContact O-N 3.1Å; I212-M214 VanDerWaalsContact O-N 3.14Å; M214-L218 HydrophobicContact CE-CB 4.02Å; M214-L218 PolarHBondContact O-N 3.35Å; M214-T352 HydrophobicContact CB-CG2 4.19Å; M214-T352 HydrophobicContact CG-CG2 3.95Å |
| 215 | G | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -66.7 | -40.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | I212 H217 L218 W219 F349 | I212-G215 PolarHBondContact O-N 3.33Å; G215-H217 PolarHBondContact O-N 2.77Å; G215-L218 PolarHBondContact O-N 3.37Å; G215-W219 WeakPolarHBondContact O-CB 3.32Å; G215-W219 VanDerWaalsContact O-CD1 3.26Å; G215-W219 PolarHBondContact O-N 3.35Å; G215-F349 VanDerWaalsContact CA-CE1 3.45Å |
| 216 | D | 98.9 | Very high | 98.9 | Very high | 12 Ų | 12 | 16.7 Ų | 16.7 | 6% | 0.064 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 177.8 | -64.8 | -18.4 | 0 | 0 | 0 | 111.6 | A83 L98 R114 I212 S213 V220 F349 | A83-D216 HydrophobicContact CB-CB 4.11Å; L98-D216 HydrophobicContact CD2-CB 3.98Å; R114-D216 IonicContact CZ-OD1 3.64Å; R114-D216 IonicContact CZ-OD2 3.43Å; R114-D216 IonicContact NE-OD1 2.71Å; R114-D216 PolarHBondContact NE-OD1 3.09Å; R114-D216 IonicContact NE-OD2 2.68Å; R114-D216 IonicContact NH2-OD1 3.37Å; R114-D216 PolarHBondContact NH2-OD1 2.77Å; R114-D216 IonicContact NH2-OD2 3.54Å; R114-D216 PolarHBondContact NH2-OD2 2.68Å; I212-D216 PolarHBondContact O-N 3.3Å; S213-D216 PolarHBondContact O-N 3.04Å; D216-V220 WeakPolarHBondContact O-CG2 3.27Å; D216-V220 PolarHBondContact O-N 3.16Å; D216-F349 WeakPolarHBondContact OD1-CZ 3.2Å |
| 217 | H | 98.9 | Very high | 98.9 | Very high | 23 Ų | 23 | 18.4 Ų | 18.4 | 11% | 0.106 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.4 | -44 | 179.2 | -81.7 | -75.4 | 0 | 0 | 0 | 112.6 | F85 G187 K189 I206 C209 S213 G215 A221 | F85-H217 AromaticContact CE1-CE1 3.67Å; F85-H217 AromaticContact CE1-ND1 3.67Å; G187-H217 PolarHBondContact O-CE1 2.77Å; K189-H217 PolarHBondContact N-ND1 2.78Å; I206-H217 HydrophobicContact CG2-CB 3.65Å; C209-H217 VanDerWaalsContact SG-CD2 3.55Å; S213-H217 WeakPolarHBondContact O-CB 3.42Å; S213-H217 PolarHBondContact O-CD2 3.41Å; S213-H217 PolarHBondContact O-N 3.1Å; G215-H217 PolarHBondContact O-N 2.77Å; H217-A221 VanDerWaalsContact O-CB 3.29Å; H217-A221 WeakPolarHBondContact O-CB 3.02Å; H217-A221 PolarHBondContact O-N 2.93Å |
| 218 | L | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -69.1 | -42.6 | -177.7 | -178.2 | 59.8 | 0 | 0 | 0 | 111.8 | M133 Q135 F204 I206 M214 G215 V220 A221 R222 P348 | M133-L218 HydrophobicContact CB-CD2 4.19Å; M133-L218 HydrophobicContact SD-CD2 3.62Å; Q135-L218 HydrophobicContact CB-CD1 3.91Å; Q135-L218 HydrophobicContact CG-CD1 4.29Å; F204-L218 HydrophobicContact CE2-CD1 3.73Å; F204-L218 HydrophobicContact CZ-CD1 4.09Å; I206-L218 HydrophobicContact CG1-CD1 3.92Å; M214-L218 HydrophobicContact CE-CB 4.02Å; M214-L218 PolarHBondContact O-N 3.35Å; G215-L218 PolarHBondContact O-N 3.37Å; L218-V220 VanDerWaalsContact C-N 3.33Å; L218-V220 PolarHBondContact O-N 3.45Å; L218-A221 WeakPolarHBondContact O-CB 3.48Å; L218-A221 PolarHBondContact O-N 2.62Å; L218-R222 HydrophobicContact CD1-CG 4.38Å; L218-R222 HydrophobicContact CG-CG 4.5Å; L218-R222 WeakPolarHBondContact O-CG 3.49Å; L218-R222 PolarHBondContact O-N 2.94Å; L218-P348 HydrophobicContact CB-CB 4.39Å; L218-P348 HydrophobicContact CB-CG 4.18Å; L218-P348 HydrophobicContact CD2-CB 3.92Å; L218-P348 HydrophobicContact CD2-CG 4.05Å; L218-P348 HydrophobicContact CG-CG 4.39Å |
| 219 | W | 98.9 | Very high | 98.9 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.008 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -61.2 | -41.5 | 176.8 | -83.2 | 119.2 | 0 | 0 | 0 | 112.4 | I33 G37 L40 L98 G215 R222 F223 D347 P348 F349 | I33-W219 HydrophobicContact CD1-CD2 3.95Å; I33-W219 VanDerWaalsContact CD1-CE2 3.45Å; I33-W219 HydrophobicContact CD1-CG 4.28Å; I33-W219 HydrophobicContact CD1-CH2 4.43Å; I33-W219 HydrophobicContact CD1-CZ2 3.73Å; I33-W219 HydrophobicContact CG1-CD2 4.12Å; I33-W219 HydrophobicContact CG1-CE3 4.36Å; I33-W219 HydrophobicContact CG1-CH2 4.39Å; I33-W219 HydrophobicContact CG1-CZ2 4.16Å; I33-W219 HydrophobicContact CG1-CZ3 4.48Å; I33-W219 HydrophobicContact CG2-CH2 4.41Å; G37-W219 WeakPolarHBondContact O-CH2 3.45Å; L40-W219 HydrophobicContact CD1-CE3 4.09Å; L40-W219 HydrophobicContact CD1-CZ3 4.42Å; L40-W219 HydrophobicContact CD2-CE3 3.84Å; L40-W219 HydrophobicContact CD2-CZ3 4.26Å; L40-W219 HydrophobicContact CG-CE3 4.08Å; L40-W219 HydrophobicContact CG-CZ3 4.17Å; L98-W219 HydrophobicContact CD1-CB 4.4Å; G215-W219 WeakPolarHBondContact O-CB 3.32Å; G215-W219 VanDerWaalsContact O-CD1 3.26Å; G215-W219 PolarHBondContact O-N 3.35Å; W219-R222 PolarHBondContact O-N 2.92Å; W219-F223 PolarHBondContact O-N 3.13Å; W219-D347 HydrophobicContact CZ2-CB 4.06Å; W219-D347 PolarHBondContact NE1-OD1 2.91Å; W219-P348 HydrophobicContact CG-CG 4.28Å; W219-F349 AromaticContact CD1-CD2 3.75Å; W219-F349 AromaticContact CD1-CE2 3.25Å; W219-F349 AromaticContact CD1-CZ 3.85Å; W219-F349 HydrophobicContact CG-CE2 4.4Å; W219-F349 AromaticContact NE1-CD2 3.5Å; W219-F349 AromaticContact NE1-CE2 3.48Å |
| 220 | V | 98.9 | Very high | 98.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70.1 | -35.2 | 175.2 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | F85 L96 L98 V188 D216 L218 R222 F223 I224 | F85-V220 HydrophobicContact CD2-CB 4.28Å; F85-V220 HydrophobicContact CD2-CG1 3.91Å; F85-V220 HydrophobicContact CD2-CG2 3.85Å; F85-V220 HydrophobicContact CE2-CB 4.09Å; F85-V220 HydrophobicContact CE2-CG1 4.21Å; F85-V220 HydrophobicContact CE2-CG2 3.6Å; F85-V220 HydrophobicContact CG-CG1 4.13Å; F85-V220 HydrophobicContact CZ-CB 4.5Å; F85-V220 HydrophobicContact CZ-CG2 4.39Å; L96-V220 HydrophobicContact CD1-CG1 4.33Å; L98-V220 HydrophobicContact CB-CG2 3.98Å; L98-V220 HydrophobicContact CD1-CG2 4.45Å; L98-V220 HydrophobicContact CD2-CG2 4.29Å; L98-V220 HydrophobicContact CG-CG2 4.48Å; V188-V220 HydrophobicContact CG2-CG1 3.98Å; D216-V220 WeakPolarHBondContact O-CG2 3.27Å; D216-V220 PolarHBondContact O-N 3.16Å; L218-V220 VanDerWaalsContact C-N 3.33Å; L218-V220 PolarHBondContact O-N 3.45Å; V220-R222 VanDerWaalsContact C-N 3.35Å; V220-R222 PolarHBondContact O-N 3.49Å; V220-F223 WeakPolarHBondContact O-CB 3.41Å; V220-F223 PolarHBondContact O-N 2.59Å; V220-I224 HydrophobicContact CG1-CD1 4.03Å; V220-I224 HydrophobicContact CG1-CG1 4.43Å; V220-I224 VanDerWaalsContact O-CG1 3.3Å; V220-I224 WeakPolarHBondContact O-CG1 3.39Å; V220-I224 PolarHBondContact O-N 3.08Å |
| 221 | A | 99 | Very high | 98.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -62.1 | -42 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | H179 V188 F204 I206 H217 L218 I224 L225 | H179-A221 PolarHBondContact NE2-O 3.41Å; V188-A221 HydrophobicContact CG1-CB 4.02Å; F204-A221 HydrophobicContact CD2-CB 4.5Å; F204-A221 HydrophobicContact CE2-CB 3.62Å; F204-A221 HydrophobicContact CZ-CB 4.06Å; I206-A221 HydrophobicContact CD1-CB 3.74Å; I206-A221 HydrophobicContact CG1-CB 4.09Å; H217-A221 VanDerWaalsContact O-CB 3.29Å; H217-A221 WeakPolarHBondContact O-CB 3.02Å; H217-A221 PolarHBondContact O-N 2.93Å; L218-A221 WeakPolarHBondContact O-CB 3.48Å; L218-A221 PolarHBondContact O-N 2.62Å; A221-I224 PolarHBondContact O-N 3.28Å; A221-L225 PolarHBondContact O-N 2.87Å |
| 222 | R | 99 | Very high | 98.9 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.008 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 173.4 | -70.5 | 175.2 | 175.3 | 172.1 | -3.7 | 111.6 | L40 L218 W219 V220 I224 L225 H226 F238 A344 C346 | L40-R222 HydrophobicContact CD1-CB 4.21Å; L218-R222 HydrophobicContact CD1-CG 4.38Å; L218-R222 HydrophobicContact CG-CG 4.5Å; L218-R222 WeakPolarHBondContact O-CG 3.49Å; L218-R222 PolarHBondContact O-N 2.94Å; W219-R222 PolarHBondContact O-N 2.92Å; V220-R222 VanDerWaalsContact C-N 3.35Å; V220-R222 PolarHBondContact O-N 3.49Å; R222-I224 VanDerWaalsContact C-N 3.33Å; R222-I224 PolarHBondContact O-N 3.22Å; R222-L225 WeakPolarHBondContact O-CB 3.34Å; R222-L225 PolarHBondContact O-N 2.89Å; R222-H226 PolarHBondContact O-CD2 2.87Å; R222-H226 PolarHBondContact O-N 3.24Å; R222-F238 HydrophobicContact CB-CE2 3.87Å; R222-F238 HydrophobicContact CB-CZ 3.87Å; R222-F238 HydrophobicContact CG-CE1 4.38Å; R222-F238 HydrophobicContact CG-CE2 3.69Å; R222-F238 HydrophobicContact CG-CZ 3.58Å; R222-A344 PolarHBondContact NH2-O 3.11Å; R222-A344 VanDerWaalsContact NH2-O 3.12Å; R222-C346 VanDerWaalsContact CZ-O 3.3Å; R222-C346 PolarHBondContact NH1-O 2.66Å; R222-C346 PolarHBondContact NH2-O 3.45Å |
| 223 | F | 99 | Very high | 98.9 | Very high | 10 Ų | 10 | 20.8 Ų | 20.8 | 4% | 0.044 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.9 | -47.6 | 174.5 | -179.2 | -99.2 | 0 | 0 | 0 | 111.8 | M29 I31 L40 C42 F89 L96 W219 V220 L225 H226 R227 | M29-F223 HydrophobicContact SD-CE1 3.77Å; M29-F223 HydrophobicContact SD-CZ 3.44Å; M29-F223 WeakPolarHBondContact SD-CZ 3.41Å; I31-F223 HydrophobicContact CD1-CB 4.41Å; I31-F223 HydrophobicContact CD1-CD1 3.4Å; I31-F223 HydrophobicContact CD1-CD2 4.18Å; I31-F223 HydrophobicContact CD1-CE1 3.59Å; I31-F223 HydrophobicContact CD1-CE2 4.35Å; I31-F223 HydrophobicContact CD1-CG 3.72Å; I31-F223 HydrophobicContact CD1-CZ 4.08Å; I31-F223 HydrophobicContact CG1-CD1 4.1Å; I31-F223 HydrophobicContact CG1-CD2 4.09Å; I31-F223 HydrophobicContact CG1-CE1 3.98Å; I31-F223 HydrophobicContact CG1-CE2 3.98Å; I31-F223 HydrophobicContact CG1-CG 4.15Å; I31-F223 HydrophobicContact CG1-CZ 3.93Å; I31-F223 HydrophobicContact CG2-CB 4.31Å; I31-F223 HydrophobicContact CG2-CD2 3.68Å; I31-F223 HydrophobicContact CG2-CE2 4.2Å; I31-F223 HydrophobicContact CG2-CG 3.98Å; L40-F223 HydrophobicContact CB-CD2 4.33Å; L40-F223 HydrophobicContact CD1-CB 3.83Å; L40-F223 HydrophobicContact CD1-CD2 4.38Å; C42-F223 HydrophobicContact CB-CE2 3.78Å; C42-F223 HydrophobicContact CB-CZ 3.95Å; F89-F223 HydrophobicContact CE2-CE1 4.35Å; L96-F223 HydrophobicContact CD1-CD1 4.31Å; L96-F223 HydrophobicContact CD1-CE1 4.45Å; L96-F223 HydrophobicContact CD2-CE1 4.23Å; W219-F223 PolarHBondContact O-N 3.13Å; V220-F223 WeakPolarHBondContact O-CB 3.41Å; V220-F223 PolarHBondContact O-N 2.59Å; F223-L225 VanDerWaalsContact C-N 3.3Å; F223-L225 PolarHBondContact O-N 3.23Å; F223-H226 PolarHBondContact O-N 3.23Å; F223-R227 HydrophobicContact CD1-CG 4.08Å; F223-R227 HydrophobicContact CE1-CG 3.54Å; F223-R227 HydrophobicContact CE2-CG 4.16Å; F223-R227 HydrophobicContact CZ-CG 3.56Å; F223-R227 WeakPolarHBondContact O-CG 3.43Å; F223-R227 PolarHBondContact O-N 3.49Å |
| 224 | I | 99 | Very high | 98.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.3 | -42.3 | 178.4 | -68.5 | 169 | 0 | 0 | 0 | 110.2 | P88 F89 L96 A182 A186 V188 V220 A221 R222 H226 R227 V228 | P88-I224 HydrophobicContact CG-CD1 4.34Å; P88-I224 HydrophobicContact CG-CG1 4.39Å; F89-I224 HydrophobicContact CE2-CG1 4.31Å; F89-I224 HydrophobicContact CZ-CB 4.27Å; F89-I224 HydrophobicContact CZ-CG1 4.26Å; F89-I224 HydrophobicContact CZ-CG2 3.98Å; L96-I224 HydrophobicContact CD1-CD1 4.35Å; L96-I224 HydrophobicContact CD1-CG1 4.12Å; A182-I224 HydrophobicContact CB-CG2 3.51Å; A186-I224 HydrophobicContact CB-CD1 3.83Å; V188-I224 HydrophobicContact CG2-CD1 4.08Å; V220-I224 HydrophobicContact CG1-CD1 4.03Å; V220-I224 HydrophobicContact CG1-CG1 4.43Å; V220-I224 VanDerWaalsContact O-CG1 3.3Å; V220-I224 WeakPolarHBondContact O-CG1 3.39Å; V220-I224 PolarHBondContact O-N 3.08Å; A221-I224 PolarHBondContact O-N 3.28Å; R222-I224 VanDerWaalsContact C-N 3.33Å; R222-I224 PolarHBondContact O-N 3.22Å; I224-H226 PolarHBondContact O-N 3.43Å; I224-R227 PolarHBondContact O-N 2.85Å; I224-V228 HydrophobicContact CG2-CG2 4.25Å; I224-V228 WeakPolarHBondContact O-CB 3.44Å; I224-V228 VanDerWaalsContact O-CG2 3.3Å; I224-V228 WeakPolarHBondContact O-CG2 3.35Å; I224-V228 PolarHBondContact O-N 3.26Å |
| 225 | L | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.9 | -49.1 | 176.7 | -179.9 | 61.8 | 0 | 0 | 0 | 111.4 | Y137 I175 H179 F204 A221 R222 F223 R227 V228 C229 A236 F238 | Y137-L225 HydrophobicContact CD1-CD2 3.96Å; Y137-L225 HydrophobicContact CD2-CD2 3.68Å; Y137-L225 HydrophobicContact CE1-CD2 4.09Å; Y137-L225 HydrophobicContact CE2-CD1 3.88Å; Y137-L225 HydrophobicContact CE2-CD2 3.78Å; Y137-L225 HydrophobicContact CE2-CG 4.43Å; Y137-L225 HydrophobicContact CG-CD2 3.75Å; I175-L225 HydrophobicContact CG2-CD1 3.85Å; H179-L225 HydrophobicContact CB-CD1 4.37Å; H179-L225 VanDerWaalsContact CD2-CA 3.49Å; H179-L225 WeakPolarHBondContact CD2-CA 3.43Å; H179-L225 PolarHBondContact CD2-N 3.26Å; F204-L225 HydrophobicContact CE1-CD2 3.98Å; A221-L225 PolarHBondContact O-N 2.87Å; R222-L225 WeakPolarHBondContact O-CB 3.34Å; R222-L225 PolarHBondContact O-N 2.89Å; F223-L225 VanDerWaalsContact C-N 3.3Å; F223-L225 PolarHBondContact O-N 3.23Å; L225-R227 VanDerWaalsContact C-N 3.34Å; L225-R227 PolarHBondContact O-N 2.96Å; L225-V228 PolarHBondContact O-N 3.23Å; L225-C229 WeakPolarHBondContact O-CB 3.35Å; L225-C229 PolarHBondContact O-N 3.19Å; L225-C229 PolarHBondContact O-SG 3.38Å; L225-A236 HydrophobicContact CD2-CB 3.75Å; L225-A236 HydrophobicContact CG-CB 3.88Å; L225-F238 HydrophobicContact CD2-CE1 3.87Å; L225-F238 HydrophobicContact CD2-CZ 3.96Å |
| 226 | H | 98.9 | Very high | 98.8 | Very high | 63 Ų | 63 | 23.9 Ų | 23.9 | 29% | 0.292 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 177.5 | -70.7 | -54.3 | 0 | 0 | 0 | 112.4 | R222 F223 I224 C229 E230 A236 F238 | R222-H226 PolarHBondContact O-CD2 2.87Å; R222-H226 PolarHBondContact O-N 3.24Å; F223-H226 PolarHBondContact O-N 3.23Å; I224-H226 PolarHBondContact O-N 3.43Å; H226-C229 PolarHBondContact O-N 3Å; H226-E230 WeakPolarHBondContact O-CB 3.49Å; H226-E230 PolarHBondContact O-N 2.85Å; H226-A236 PolarHBondContact CE1-O 3.08Å; H226-F238 AromaticContact CE1-CE2 3.74Å; H226-F238 AromaticContact NE2-CE2 3.3Å; H226-F238 VanDerWaalsContact NE2-CE2 3.3Å; H226-F238 WeakPolarHBondContact NE2-CE2 3.49Å; H226-F238 AromaticContact NE2-CZ 3.97Å |
| 227 | R | 98.9 | Very high | 98.8 | Very high | 37 Ų | 37 | 24.9 Ų | 24.9 | 14% | 0.14 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 177.8 | -76.3 | -67.4 | -54.4 | 133 | 16.6 | 112.9 | F89 F223 I224 L225 E230 D231 | F89-R227 HydrophobicContact CD1-CB 4.31Å; F89-R227 HydrophobicContact CD2-CB 4.47Å; F89-R227 HydrophobicContact CE1-CB 3.53Å; F89-R227 HydrophobicContact CE2-CB 3.72Å; F89-R227 HydrophobicContact CE2-CG 3.9Å; F89-R227 HydrophobicContact CZ-CB 3.2Å; F89-R227 HydrophobicContact CZ-CG 3.93Å; F223-R227 HydrophobicContact CD1-CG 4.08Å; F223-R227 HydrophobicContact CE1-CG 3.54Å; F223-R227 HydrophobicContact CE2-CG 4.16Å; F223-R227 HydrophobicContact CZ-CG 3.56Å; F223-R227 WeakPolarHBondContact O-CG 3.43Å; F223-R227 PolarHBondContact O-N 3.49Å; I224-R227 PolarHBondContact O-N 2.85Å; L225-R227 VanDerWaalsContact C-N 3.34Å; L225-R227 PolarHBondContact O-N 2.96Å; R227-E230 IonicContact CZ-OE1 3.47Å; R227-E230 IonicContact NH1-OE1 2.82Å; R227-E230 PolarHBondContact NH1-OE1 3.13Å; R227-E230 IonicContact NH1-OE2 3.52Å; R227-E230 PolarHBondContact NH1-OE2 2.99Å; R227-D231 PolarHBondContact O-N 3Å |
| 228 | V | 98.9 | Very high | 98.8 | Very high | 9 Ų | 9 | 24.8 Ų | 24.8 | 6% | 0.055 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.5 | -50.9 | 174.2 | 170.8 | 0 | 0 | 0 | 0 | 109.9 | F89 I175 A178 I224 L225 E230 D231 F232 | F89-V228 HydrophobicContact CE1-CG2 4Å; I175-V228 HydrophobicContact CG2-CG1 4.1Å; A178-V228 HydrophobicContact CB-CG1 3.86Å; I224-V228 HydrophobicContact CG2-CG2 4.25Å; I224-V228 WeakPolarHBondContact O-CB 3.44Å; I224-V228 VanDerWaalsContact O-CG2 3.3Å; I224-V228 WeakPolarHBondContact O-CG2 3.35Å; I224-V228 PolarHBondContact O-N 3.26Å; L225-V228 PolarHBondContact O-N 3.23Å; V228-E230 PolarHBondContact O-N 3.41Å; V228-D231 PolarHBondContact O-N 3.08Å; V228-D231 VanDerWaalsContact O-N 3.08Å; V228-F232 HydrophobicContact CG1-CD2 3.9Å; V228-F232 HydrophobicContact CG1-CE2 3.93Å; V228-F232 WeakPolarHBondContact O-CD2 3.3Å; V228-F232 PolarHBondContact O-N 3.12Å |
| 229 | C | 98.8 | Very high | 98.8 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -55.4 | -38.9 | 176.3 | -74.3 | 0 | 0 | 0 | 0 | 112.3 | L225 H226 D231 F232 G233 V234 | L225-C229 WeakPolarHBondContact O-CB 3.35Å; L225-C229 PolarHBondContact O-N 3.19Å; L225-C229 PolarHBondContact O-SG 3.38Å; H226-C229 PolarHBondContact O-N 3Å; C229-D231 PolarHBondContact O-N 3.27Å; C229-F232 CarbonylContact O-C 3.59Å; C229-F232 PolarHBondContact O-N 2.92Å; C229-G233 PolarHBondContact O-N 2.78Å; C229-V234 CarbonylContact C-O 3.57Å; C229-V234 HydrophobicContact CB-CG2 3.88Å; C229-V234 WeakPolarHBondContact CB-O 3.4Å; C229-V234 PolarHBondContact O-N 3.31Å |
| 230 | E | 98.7 | Very high | 98.8 | Very high | 111 Ų | 111 | 26.8 Ų | 26.8 | 52% | 0.519 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -60.9 | -43 | 176.2 | -166.4 | -162 | 100.7 | 0 | 0 | 112.3 | H226 R227 V228 F232 G233 | H226-E230 WeakPolarHBondContact O-CB 3.49Å; H226-E230 PolarHBondContact O-N 2.85Å; R227-E230 IonicContact CZ-OE1 3.47Å; R227-E230 IonicContact NH1-OE1 2.82Å; R227-E230 PolarHBondContact NH1-OE1 3.13Å; R227-E230 IonicContact NH1-OE2 3.52Å; R227-E230 PolarHBondContact NH1-OE2 2.99Å; V228-E230 PolarHBondContact O-N 3.41Å; E230-F232 VanDerWaalsContact C-N 3.3Å; E230-F232 PolarHBondContact O-N 2.98Å; E230-G233 PolarHBondContact O-N 3.21Å |
| 231 | D | 98.6 | Very high | 98.8 | Very high | 48 Ų | 48 | 28 Ų | 28 | 26% | 0.257 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -65 | -35.2 | 177.7 | -87.8 | -27.8 | 0 | 0 | 0 | 111.6 | K11 K14 R227 V228 C229 | K11-D231 WeakPolarHBondContact CE-O 3.2Å; K11-D231 PolarHBondContact NZ-O 3.29Å; K14-D231 IonicContact NZ-OD1 3.45Å; K14-D231 PolarHBondContact NZ-OD1 2.63Å; K14-D231 IonicContact NZ-OD2 2.63Å; R227-D231 PolarHBondContact O-N 3Å; V228-D231 PolarHBondContact O-N 3.08Å; V228-D231 VanDerWaalsContact O-N 3.08Å; C229-D231 PolarHBondContact O-N 3.27Å |
| 232 | F | 98.6 | Very high | 98.7 | Very high | 84 Ų | 84 | 29.3 Ų | 29.3 | 37% | 0.368 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -83 | -11.9 | 175 | -76.7 | -79.4 | 0 | 0 | 0 | 114.6 | D174 I175 A178 V228 C229 E230 V234 | D174-F232 HydrophobicContact CB-CE1 3.84Å; D174-F232 HydrophobicContact CB-CZ 3.89Å; I175-F232 HydrophobicContact CD1-CB 4.18Å; I175-F232 HydrophobicContact CD1-CD1 4.44Å; I175-F232 HydrophobicContact CD1-CD2 4.42Å; I175-F232 HydrophobicContact CD1-CG 4.11Å; I175-F232 HydrophobicContact CG1-CB 4.1Å; I175-F232 HydrophobicContact CG1-CD2 3.86Å; I175-F232 HydrophobicContact CG1-CE2 4.49Å; I175-F232 HydrophobicContact CG1-CG 4Å; A178-F232 HydrophobicContact CB-CE2 4.06Å; V228-F232 HydrophobicContact CG1-CD2 3.9Å; V228-F232 HydrophobicContact CG1-CE2 3.93Å; V228-F232 WeakPolarHBondContact O-CD2 3.3Å; V228-F232 PolarHBondContact O-N 3.12Å; C229-F232 CarbonylContact O-C 3.59Å; C229-F232 PolarHBondContact O-N 2.92Å; E230-F232 VanDerWaalsContact C-N 3.3Å; E230-F232 PolarHBondContact O-N 2.98Å; F232-V234 HydrophobicContact CB-CG2 4.38Å |
| 233 | G | 98.6 | Very high | 98.7 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 24.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116 | T3 S4 C229 E230 | T3-G233 CarbonylContact C-O 3.59Å; T3-G233 VanDerWaalsContact CA-O 3.3Å; T3-G233 WeakPolarHBondContact CA-O 3.45Å; S4-G233 PolarHBondContact N-O 3.44Å; S4-G233 VanDerWaalsContact OG-CA 3.28Å; S4-G233 WeakPolarHBondContact OG-CA 3.46Å; C229-G233 PolarHBondContact O-N 2.78Å; E230-G233 PolarHBondContact O-N 3.21Å |
| 234 | V | 98.7 | Very high | 98.5 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 5% | 0.048 | 18% | 0.181 | C | C | . | . | trans | -113.1 | 168.2 | 175.7 | -61.3 | 0 | 0 | 0 | 0 | 110.3 | T3 L139 M140 F147 I175 C229 F232 | T3-V234 HydrophobicContact CG2-CG1 4.24Å; L139-V234 HydrophobicContact CD2-CG2 4.23Å; M140-V234 WeakPolarHBondContact O-CB 3.5Å; F147-V234 HydrophobicContact CD2-CG1 3.49Å; F147-V234 VanDerWaalsContact CD2-CG1 3.49Å; F147-V234 HydrophobicContact CE2-CG1 3.69Å; F147-V234 HydrophobicContact CG-CG1 4.1Å; F147-V234 HydrophobicContact CZ-CG1 4.44Å; I175-V234 HydrophobicContact CD1-CG2 4.08Å; I175-V234 HydrophobicContact CG1-CG2 3.96Å; C229-V234 CarbonylContact C-O 3.57Å; C229-V234 HydrophobicContact CB-CG2 3.88Å; C229-V234 WeakPolarHBondContact CB-O 3.4Å; C229-V234 PolarHBondContact O-N 3.31Å; F232-V234 HydrophobicContact CB-CG2 4.38Å | ||
| 235 | I | 98.8 | Very high | 98.3 | Very high | 83 Ų | 83 | 37.1 Ų | 37.1 | 43% | 0.426 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 130.5 | 176.8 | -63.3 | 168.3 | 0 | 0 | 0 | 108 | L139 M140 | L139-I235 CarbonylContact C-O 3.51Å; L139-I235 WeakPolarHBondContact CA-O 3.47Å; M140-I235 HydrophobicContact CB-CB 4.22Å; M140-I235 PolarHBondContact N-O 3.05Å; M140-I235 PolarHBondContact O-N 2.77Å |
| 236 | A | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 123.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y137 L225 H226 | Y137-A236 HydrophobicContact CD2-CB 4.16Å; L225-A236 HydrophobicContact CD2-CB 3.75Å; L225-A236 HydrophobicContact CG-CB 3.88Å; H226-A236 PolarHBondContact CE1-O 3.08Å |
| 237 | T | 98.8 | Very high | 97.9 | Very high | 34 Ų | 34 | 41.5 Ų | 41.5 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 136.8 | 171.4 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | Y137 T138 M140 D239 P242 | Y137-T237 WeakPolarHBondContact CA-O 3.33Å; T138-T237 PolarHBondContact N-O 2.93Å; T138-T237 PolarHBondContact O-N 3.42Å; M140-T237 HydrophobicContact CG-CG2 3.7Å; M140-T237 HydrophobicContact SD-CG2 4.09Å; T237-D239 WeakPolarHBondContact OG1-CB 3.34Å; T237-D239 PolarHBondContact OG1-N 2.59Å; T237-D239 VanDerWaalsContact OG1-N 3.16Å; T237-P242 HydrophobicContact CG2-CB 4.08Å |
| 238 | F | 98.9 | Very high | 97.9 | Very high | 21 Ų | 21 | 40.7 Ų | 40.7 | 9% | 0.092 | 23% | 0.227 | C | C | . | . | trans | -100.8 | 11.1 | 171.5 | -57.1 | -49.4 | 0 | 0 | 0 | 112.2 | Q135 Y137 R222 L225 H226 A344 N345 | Q135-F238 HydrophobicContact CG-CD1 4.46Å; Q135-F238 HydrophobicContact CG-CE1 4.14Å; Y137-F238 HydrophobicContact CG-CE1 4.38Å; R222-F238 HydrophobicContact CB-CE2 3.87Å; R222-F238 HydrophobicContact CB-CZ 3.87Å; R222-F238 HydrophobicContact CG-CE1 4.38Å; R222-F238 HydrophobicContact CG-CE2 3.69Å; R222-F238 HydrophobicContact CG-CZ 3.58Å; L225-F238 HydrophobicContact CD2-CE1 3.87Å; L225-F238 HydrophobicContact CD2-CZ 3.96Å; H226-F238 AromaticContact CE1-CE2 3.74Å; H226-F238 AromaticContact NE2-CE2 3.3Å; H226-F238 VanDerWaalsContact NE2-CE2 3.3Å; H226-F238 WeakPolarHBondContact NE2-CE2 3.49Å; H226-F238 AromaticContact NE2-CZ 3.97Å; F238-A344 HydrophobicContact CB-CB 4.45Å; F238-A344 CarbonylContact O-C 3.49Å; F238-A344 WeakPolarHBondContact O-CB 3.42Å; F238-N345 HydrophobicContact CB-CB 4.1Å; F238-N345 WeakPolarHBondContact O-CB 3.38Å; F238-N345 PolarHBondContact O-N 2.81Å | ||
| 239 | D | 98.7 | Very high | 97.8 | Very high | 44 Ų | 44 | 40.8 Ų | 40.8 | 24% | 0.235 | 23% | 0.23 | C | C | . | . | trans | -56.2 | 131.6 | 174.5 | -176 | -78 | 0 | 0 | 0 | 110.4 | T237 K241 P242 R298 | T237-D239 WeakPolarHBondContact OG1-CB 3.34Å; T237-D239 PolarHBondContact OG1-N 2.59Å; T237-D239 VanDerWaalsContact OG1-N 3.16Å; D239-K241 PolarHBondContact O-N 3.19Å; D239-K241 WeakPolarHBondContact OD1-CA 3.42Å; D239-K241 PolarHBondContact OD1-N 2.94Å; D239-P242 WeakPolarHBondContact O-CD 3.26Å; D239-R298 IonicContact OD1-CZ 3.5Å; D239-R298 IonicContact OD1-NH1 2.72Å; D239-R298 PolarHBondContact OD1-NH1 3Å; D239-R298 IonicContact OD1-NH2 3.37Å; D239-R298 PolarHBondContact OD1-NH2 3.16Å; D239-R298 IonicContact OD2-CZ 3.44Å; D239-R298 IonicContact OD2-NH1 3.3Å; D239-R298 PolarHBondContact OD2-NH1 3.35Å; D239-R298 IonicContact OD2-NH2 2.72Å; D239-R298 PolarHBondContact OD2-NH2 3.41Å | ||
| 240 | P | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -70.9 | -13.3 | -174.6 | 24.2 | -33.2 | 0 | 0 | 0 | 115.1 | G249 A250 D295 R299 S343 | P240-G249 CarbonylContact O-C 3.42Å; P240-G249 WeakPolarHBondContact O-CA 3.5Å; P240-A250 WeakPolarHBondContact CA-O 3.19Å; P240-A250 PolarHBondContact O-N 3.13Å; P240-D295 HydrophobicContact CG-CB 3.83Å; P240-D295 WeakPolarHBondContact CG-O 3.28Å; P240-R299 HydrophobicContact CB-CB 3.98Å; P240-S343 VanDerWaalsContact CB-OG 3.23Å; P240-S343 WeakPolarHBondContact CB-OG 3.38Å; P240-S343 VanDerWaalsContact CG-OG 3.3Å; P240-S343 WeakPolarHBondContact CG-OG 3.44Å |
| 241 | K | 98.4 | Very high | 97.7 | Very high | 26 Ų | 26 | 35.5 Ų | 35.5 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | trans | -148.3 | 73.1 | 177 | -170 | 71.1 | 175.7 | -170.5 | 0 | 109.2 | D239 I243 G245 W247 R298 | D239-K241 PolarHBondContact O-N 3.19Å; D239-K241 WeakPolarHBondContact OD1-CA 3.42Å; D239-K241 PolarHBondContact OD1-N 2.94Å; K241-I243 VanDerWaalsContact C-N 3.29Å; K241-I243 WeakPolarHBondContact CE-O 3.3Å; K241-I243 PolarHBondContact O-N 3.41Å; K241-G245 PolarHBondContact NZ-O 3.23Å; K241-G245 VanDerWaalsContact NZ-O 3.08Å; K241-W247 PolarHBondContact NZ-O 3.32Å; K241-R298 HydrophobicContact CB-CB 3.75Å; K241-R298 HydrophobicContact CG-CB 4.26Å; K241-R298 WeakPolarHBondContact CG-O 3.31Å; K241-R298 PolarHBondContact O-NH1 3.26Å | ||
| 242 | P | 97.8 | Very high | 97.8 | Very high | 26 Ų | 26 | 33.2 Ų | 33.2 | 17% | 0.169 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -68.6 | -30.4 | -170.6 | 24.5 | -29.6 | 0 | 0 | 0 | 112.2 | T138 M198 T237 D239 | T138-P242 WeakPolarHBondContact OG1-CG 3.19Å; M198-P242 HydrophobicContact CE-CG 4.07Å; T237-P242 HydrophobicContact CG2-CB 4.08Å; D239-P242 WeakPolarHBondContact O-CD 3.26Å |
| 243 | I | 97.7 | Very high | 97.8 | Very high | 22 Ų | 22 | 29.8 Ų | 29.8 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -121.1 | 123.5 | 175.1 | -53.3 | -63.6 | 0 | 0 | 0 | 109.8 | P146 W149 F154 M198 K241 W247 | P146-I243 HydrophobicContact CG-CD1 3.5Å; P146-I243 HydrophobicContact CG-CG1 3.77Å; W149-I243 HydrophobicContact CH2-CG1 4.2Å; W149-I243 HydrophobicContact CH2-CG2 4.22Å; W149-I243 HydrophobicContact CZ3-CG2 4.37Å; F154-I243 HydrophobicContact CE1-CG2 4.44Å; M198-I243 HydrophobicContact SD-CB 4.3Å; M198-I243 HydrophobicContact SD-CG1 4.09Å; K241-I243 VanDerWaalsContact C-N 3.29Å; K241-I243 WeakPolarHBondContact CE-O 3.3Å; K241-I243 PolarHBondContact O-N 3.41Å; I243-W247 HydrophobicContact CB-CB 4.26Å; I243-W247 HydrophobicContact CB-CG 4.34Å; I243-W247 HydrophobicContact CG2-CB 4.41Å; I243-W247 VanDerWaalsContact CG2-CD1 3.42Å; I243-W247 HydrophobicContact CG2-CG 4.01Å |
| 244 | P | 95.4 | Very high | 97.8 | Very high | 105 Ų | 105 | 29.7 Ų | 29.7 | 68% | 0.682 | 18% | 0.177 | S | C | * | . | trans | -63.4 | 158.4 | 175.3 | -22.4 | 33.4 | 0 | 0 | 0 | 113.4 | ||||
| 245 | G | 94.4 | Very high | 97.8 | Very high | 49 Ų | 49 | 30.5 Ų | 30.5 | 51% | 0.505 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 86.3 | -145.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114.1 | K241 W247 | K241-G245 PolarHBondContact NZ-O 3.23Å; K241-G245 VanDerWaalsContact NZ-O 3.08Å; G245-W247 PolarHBondContact O-N 2.97Å |
| 246 | N | 94.8 | Very high | 97.8 | Very high | 131 Ų | 131 | 26.6 Ų | 26.6 | 70% | 0.701 | 16% | 0.161 | S | C | * | . | S | Bend | trans | -77.5 | 41 | -171.4 | -79 | -18.5 | 0 | 0 | 0 | 114.1 | ||
| 247 | W | 96.2 | Very high | 97.8 | Very high | 24 Ų | 24 | 26.7 Ų | 26.7 | 9% | 0.091 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -119 | 144.7 | 174.5 | -60.6 | 104 | 0 | 0 | 0 | 109.2 | W149 F154 P155 G156 Q158 M198 P199 K241 I243 G245 | W149-W247 AromaticContact CH2-CD2 3.69Å; W149-W247 HydrophobicContact CH2-CD2 3.69Å; W149-W247 AromaticContact CH2-CE2 3.61Å; W149-W247 HydrophobicContact CH2-CE3 4.01Å; W149-W247 HydrophobicContact CH2-CG 4.18Å; W149-W247 HydrophobicContact CH2-CH2 4.18Å; W149-W247 AromaticContact CH2-CZ2 3.88Å; W149-W247 HydrophobicContact CH2-CZ2 3.88Å; W149-W247 HydrophobicContact CH2-CZ3 4.23Å; W149-W247 HydrophobicContact CZ2-CD2 4.28Å; W149-W247 HydrophobicContact CZ2-CE3 4.14Å; W149-W247 HydrophobicContact CZ2-CH2 4.45Å; W149-W247 HydrophobicContact CZ2-CZ3 4.23Å; W149-W247 HydrophobicContact CZ3-CZ2 4.31Å; F154-W247 HydrophobicContact CB-CZ2 4.12Å; F154-W247 AromaticContact CD1-CE2 3.9Å; F154-W247 AromaticContact CD1-CZ2 3.76Å; F154-W247 HydrophobicContact CD1-CZ2 3.76Å; F154-W247 AromaticContact CD1-NE1 3.57Å; F154-W247 AromaticContact CE1-NE1 3.72Å; F154-W247 HydrophobicContact CG-CZ2 4.36Å; P155-W247 HydrophobicContact CG-CH2 3.84Å; P155-W247 HydrophobicContact CG-CZ3 4.31Å; G156-W247 WeakPolarHBondContact O-CH2 3.5Å; Q158-W247 HydrophobicContact CG-CE3 3.51Å; Q158-W247 HydrophobicContact CG-CZ3 3.62Å; Q158-W247 VanDerWaalsContact OE1-CA 3.27Å; M198-W247 HydrophobicContact CG-CB 4.37Å; M198-W247 HydrophobicContact CG-CE3 3.91Å; M198-W247 HydrophobicContact SD-CB 3.85Å; M198-W247 HydrophobicContact SD-CG 4.44Å; P199-W247 HydrophobicContact CG-CZ3 4.04Å; K241-W247 PolarHBondContact NZ-O 3.32Å; I243-W247 HydrophobicContact CB-CB 4.26Å; I243-W247 HydrophobicContact CB-CG 4.34Å; I243-W247 HydrophobicContact CG2-CB 4.41Å; I243-W247 VanDerWaalsContact CG2-CD1 3.42Å; I243-W247 HydrophobicContact CG2-CG 4.01Å; G245-W247 PolarHBondContact O-N 2.97Å |
| 248 | N | 96.9 | Very high | 97.8 | Very high | 21 Ų | 21 | 25.3 Ų | 25.3 | 11% | 0.112 | 15% | 0.153 | C | C | . | . | trans | -59.7 | 149.5 | 179.8 | -87.6 | 41.8 | 0 | 0 | 0 | 111.3 | Q158 V197 M198 | Q158-N248 PolarHBondContact NE2-OD1 3.31Å; V197-N248 HydrophobicContact CB-CB 4.27Å; V197-N248 WeakPolarHBondContact CB-ND2 3.46Å; M198-N248 HydrophobicContact CB-CB 4.45Å | ||
| 249 | G | 97.4 | Very high | 97.8 | Very high | 11 Ų | 11 | 29.1 Ų | 29.1 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | trans | -82.7 | 177.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q201 P240 | Q201-G249 PolarHBondContact NE2-O 3.19Å; P240-G249 CarbonylContact O-C 3.42Å; P240-G249 WeakPolarHBondContact O-CA 3.5Å | ||
| 250 | A | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -111.1 | 121.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | E136 P240 R299 A344 | E136-A250 HydrophobicContact CB-CB 4.07Å; E136-A250 WeakPolarHBondContact OE2-CA 3.3Å; P240-A250 WeakPolarHBondContact CA-O 3.19Å; P240-A250 PolarHBondContact O-N 3.13Å; A250-R299 WeakPolarHBondContact O-CD 3.24Å; A250-A344 HydrophobicContact CB-CB 3.51Å; A250-A344 VanDerWaalsContact O-CB 3.26Å; A250-A344 WeakPolarHBondContact O-CB 3.42Å; A250-A344 PolarHBondContact O-N 3.4Å | ||
| 251 | G | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -100 | 170 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | E136 | E136-G251 WeakPolarHBondContact CB-O 3.48Å; E136-G251 PolarHBondContact N-O 3.16Å; E136-G251 VanDerWaalsContact N-O 3.16Å; E136-G251 PolarHBondContact OE2-N 2.65Å |
| 252 | C | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 63.9 | 163.2 | -165.8 | 0 | 0 | 0 | 0 | 110.3 | E134 T254 P342 S343 | E134-C252 CarbonylContact O-C 3.51Å; E134-C252 VanDerWaalsContact O-CA 3.24Å; E134-C252 WeakPolarHBondContact O-CA 3.49Å; C252-T254 PolarHBondContact O-N 2.9Å; C252-T254 PolarHBondContact O-OG1 2.87Å; C252-P342 HydrophobicContact CB-CB 4.28Å; C252-P342 PolarHBondContact N-O 2.74Å; C252-P342 WeakPolarHBondContact O-CB 3.45Å; C252-S343 WeakPolarHBondContact CB-O 3.32Å |
| 253 | H | 98.7 | Very high | 97.9 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 6% | 0.056 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.8 | 136.8 | -173.7 | -52.4 | 144.9 | 0 | 0 | 0 | 110.8 | M133 E134 E136 E338 D339 R340 | M133-H253 VanDerWaalsContact CA-O 3.31Å; M133-H253 WeakPolarHBondContact CA-O 3.45Å; E134-H253 HydrophobicContact CB-CB 4.06Å; E134-H253 HydrophobicContact CG-CB 4.43Å; E134-H253 PolarHBondContact N-O 2.97Å; E134-H253 PolarHBondContact O-N 3.02Å; E134-H253 WeakPolarHBondContact OE2-CB 3.42Å; E134-H253 IonicContact OE2-CG 2.74Å; E134-H253 IonicContact OE2-ND1 3.78Å; E134-H253 PolarHBondContact OE2-ND1 2.93Å; E136-H253 IonicContact OE1-CE1 3.2Å; H253-E338 HydrophobicContact CB-CG 4.05Å; H253-D339 WeakPolarHBondContact CA-O 3.5Å; H253-R340 VanDerWaalsContact CD2-CA 3.48Å; H253-R340 WeakPolarHBondContact CD2-CA 3.32Å; H253-R340 PolarHBondContact CE1-NH2 2.68Å |
| 254 | T | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 109 | -173 | -58.3 | 0 | 0 | 0 | 0 | 110.5 | F131 G132 M133 C252 D339 V351 L355 | F131-T254 HydrophobicContact CD1-CG2 4.24Å; G132-T254 CarbonylContact O-C 3.39Å; G132-T254 WeakPolarHBondContact O-CA 3.45Å; M133-T254 HydrophobicContact CE-CG2 3.69Å; M133-T254 WeakPolarHBondContact CE-OG1 3.44Å; M133-T254 HydrophobicContact CG-CG2 4.09Å; C252-T254 PolarHBondContact O-N 2.9Å; C252-T254 PolarHBondContact O-OG1 2.87Å; T254-D339 PolarHBondContact N-O 2.72Å; T254-D339 PolarHBondContact O-N 2.9Å; T254-V351 HydrophobicContact CG2-CG1 4.25Å; T254-L355 HydrophobicContact CG2-CD1 3.72Å |
| 255 | N | 98.9 | Very high | 98 | Very high | 26 Ų | 26 | 38.4 Ų | 38.4 | 14% | 0.139 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 128.6 | 171.2 | -63.9 | -59.2 | 0 | 0 | 0 | 109.4 | F131 G132 E134 Y336 F337 E338 | F131-N255 CarbonylContact C-O 3.5Å; F131-N255 WeakPolarHBondContact CA-O 3.3Å; G132-N255 PolarHBondContact N-O 2.82Å; G132-N255 WeakPolarHBondContact O-CB 3.36Å; G132-N255 PolarHBondContact O-N 3.17Å; E134-N255 PolarHBondContact OE1-ND2 3.32Å; N255-Y336 HydrophobicContact CB-CD2 3.86Å; N255-Y336 HydrophobicContact CB-CE2 4.11Å; N255-Y336 WeakPolarHBondContact OD1-CE2 3.14Å; N255-F337 CarbonylContact C-O 3.56Å; N255-F337 WeakPolarHBondContact CA-O 3.4Å; N255-E338 WeakPolarHBondContact OD1-CB 3.4Å |
| 256 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 136.5 | -178.1 | 174.8 | -127.9 | 0 | 0 | 0 | 112.7 | P129 W130 F131 T258 M261 Y336 F337 L355 I356 C359 L360 | P129-F256 HydrophobicContact CB-CE2 3.87Å; W130-F256 WeakPolarHBondContact O-CA 3.48Å; F131-F256 HydrophobicContact CD1-CB 4.21Å; F131-F256 AromaticContact CD1-CD2 3.65Å; F131-F256 HydrophobicContact CD1-CD2 3.65Å; F131-F256 HydrophobicContact CD1-CE2 4.49Å; F131-F256 HydrophobicContact CD1-CG 4.25Å; F131-F256 HydrophobicContact CE1-CB 4.3Å; F131-F256 AromaticContact CE1-CD2 3.23Å; F131-F256 HydrophobicContact CE1-CD2 3.23Å; F131-F256 AromaticContact CE1-CE2 3.73Å; F131-F256 HydrophobicContact CE1-CE2 3.73Å; F131-F256 AromaticContact CE1-CG 3.91Å; F131-F256 HydrophobicContact CE1-CG 3.91Å; F131-F256 HydrophobicContact CG-CD2 4.48Å; F131-F256 AromaticContact CZ-CD2 3.77Å; F131-F256 HydrophobicContact CZ-CD2 3.77Å; F131-F256 AromaticContact CZ-CE2 3.78Å; F131-F256 HydrophobicContact CZ-CE2 3.78Å; F256-T258 HydrophobicContact CE2-CG2 4.36Å; F256-T258 HydrophobicContact CZ-CG2 3.92Å; F256-M261 HydrophobicContact CE1-CE 4.29Å; F256-Y336 WeakPolarHBondContact O-CA 3.38Å; F256-Y336 VanDerWaalsContact O-CB 3.29Å; F256-Y336 WeakPolarHBondContact O-CB 3.2Å; F256-F337 HydrophobicContact CB-CE1 4.4Å; F256-F337 HydrophobicContact CB-CZ 4.24Å; F256-F337 AromaticContact CD1-CE1 3.56Å; F256-F337 HydrophobicContact CD1-CE1 3.56Å; F256-F337 AromaticContact CD1-CZ 3.53Å; F256-F337 HydrophobicContact CD1-CZ 3.53Å; F256-F337 HydrophobicContact CE1-CE1 4.31Å; F256-F337 HydrophobicContact CE1-CZ 4.41Å; F256-F337 HydrophobicContact CG-CE1 4.41Å; F256-F337 HydrophobicContact CG-CZ 4.38Å; F256-F337 PolarHBondContact N-O 3.2Å; F256-F337 PolarHBondContact O-N 2.71Å; F256-L355 HydrophobicContact CB-CD1 4.3Å; F256-I356 HydrophobicContact CE2-CD1 3.89Å; F256-I356 HydrophobicContact CZ-CD1 3.88Å; F256-C359 HydrophobicContact CE1-CB 3.93Å; F256-L360 HydrophobicContact CZ-CD1 4.26Å; F256-L360 HydrophobicContact CZ-CD2 4.41Å; F256-L360 HydrophobicContact CZ-CG 4.32Å |
| 257 | S | 98.9 | Very high | 98.4 | Very high | 8 Ų | 8 | 31 Ų | 31 | 6% | 0.056 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 152.1 | 170.5 | 63.5 | 0 | 0 | 0 | 0 | 112.8 | P129 W130 R262 G335 | P129-S257 CarbonylContact C-O 3.6Å; P129-S257 WeakPolarHBondContact CA-O 3.34Å; W130-S257 PolarHBondContact N-O 2.57Å; W130-S257 PolarHBondContact O-N 3.11Å; S257-R262 PolarHBondContact O-NH1 2.68Å; S257-R262 WeakPolarHBondContact OG-CD 3.37Å; S257-R262 PolarHBondContact OG-NH1 3.47Å; S257-G335 WeakPolarHBondContact CB-O 3.31Å |
| 258 | T | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 35.7 Ų | 35.7 | 3% | 0.025 | 18% | 0.176 | C | C | . | . | trans | -104.4 | 171.1 | 161.6 | 61.9 | 0 | 0 | 0 | 0 | 110.7 | Q127 F256 A260 M261 R262 L360 | Q127-T258 HydrophobicContact CB-CG2 4.37Å; F256-T258 HydrophobicContact CE2-CG2 4.36Å; F256-T258 HydrophobicContact CZ-CG2 3.92Å; T258-A260 PolarHBondContact O-N 3.37Å; T258-M261 PolarHBondContact N-SD 2.9Å; T258-M261 PolarHBondContact O-N 2.85Å; T258-M261 WeakPolarHBondContact OG1-CG 3.32Å; T258-M261 PolarHBondContact OG1-N 2.88Å; T258-R262 VanDerWaalsContact C-NH1 3.27Å; T258-R262 WeakPolarHBondContact O-CG 3.23Å; T258-R262 PolarHBondContact O-N 2.75Å; T258-R262 VanDerWaalsContact O-N 3.11Å; T258-R262 PolarHBondContact O-NH1 2.82Å; T258-L360 HydrophobicContact CG2-CD1 3.73Å; T258-L360 HydrophobicContact CG2-CD2 3.59Å; T258-L360 HydrophobicContact CG2-CG 4.28Å | ||
| 259 | K | 98.8 | Very high | 98.6 | Very high | 101 Ų | 101 | 39.7 Ų | 39.7 | 44% | 0.439 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -49.5 | -46.6 | 170.9 | -178.4 | 174.3 | 174.6 | 179.1 | 0 | 111.8 | Q127 H128 M261 R262 E263 | Q127-K259 WeakPolarHBondContact O-CB 3.31Å; Q127-K259 PolarHBondContact O-N 2.91Å; H128-K259 HydrophobicContact CB-CB 4.43Å; K259-M261 VanDerWaalsContact C-N 3.32Å; K259-M261 PolarHBondContact O-N 3.29Å; K259-R262 PolarHBondContact O-N 3.36Å; K259-R262 VanDerWaalsContact O-N 3.15Å; K259-E263 WeakPolarHBondContact CE-OE1 3.35Å; K259-E263 WeakPolarHBondContact CG-OE1 3.34Å; K259-E263 WeakPolarHBondContact O-CG 3.41Å; K259-E263 PolarHBondContact O-N 2.71Å; K259-E263 VanDerWaalsContact O-N 3.13Å |
| 260 | A | 98.7 | Very high | 98.6 | Very high | 31 Ų | 31 | 39.2 Ų | 39.2 | 26% | 0.256 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.4 | -35.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T258 G266 Y269 | T258-A260 PolarHBondContact O-N 3.37Å; A260-G266 VanDerWaalsContact O-CA 3.25Å; A260-G266 WeakPolarHBondContact O-CA 3.33Å; A260-Y269 HydrophobicContact CB-CD1 4.5Å; A260-Y269 HydrophobicContact CB-CD2 3.79Å; A260-Y269 HydrophobicContact CB-CE2 3.99Å; A260-Y269 HydrophobicContact CB-CG 4.07Å; A260-Y269 WeakPolarHBondContact O-CD2 3.06Å |
| 261 | M | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 44.4 Ų | 44.4 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -71.9 | -29.8 | 176.6 | -64.9 | 172.6 | -177.2 | 0 | 0 | 112.7 | F256 T258 K259 G266 Y269 I270 A273 G335 F337 | F256-M261 HydrophobicContact CE1-CE 4.29Å; T258-M261 PolarHBondContact N-SD 2.9Å; T258-M261 PolarHBondContact O-N 2.85Å; T258-M261 WeakPolarHBondContact OG1-CG 3.32Å; T258-M261 PolarHBondContact OG1-N 2.88Å; K259-M261 VanDerWaalsContact C-N 3.32Å; K259-M261 PolarHBondContact O-N 3.29Å; M261-G266 WeakPolarHBondContact O-CA 3.46Å; M261-Y269 WeakPolarHBondContact CE-O 3.19Å; M261-I270 HydrophobicContact CB-CD1 4.42Å; M261-I270 HydrophobicContact CB-CG1 3.9Å; M261-I270 HydrophobicContact CG-CG1 3.79Å; M261-I270 HydrophobicContact SD-CG1 4.06Å; M261-A273 HydrophobicContact CE-CB 3.58Å; M261-G335 CarbonylContact C-O 3.58Å; M261-G335 PolarHBondContact O-N 3.11Å; M261-F337 HydrophobicContact CE-CE1 4.36Å |
| 262 | R | 98.8 | Very high | 98.7 | Very high | 59 Ų | 59 | 48.2 Ų | 48.2 | 22% | 0.223 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -82.7 | -22.5 | -179.2 | -65.2 | -170.5 | -63.3 | -89 | 7.1 | 113.4 | H128 W130 S257 T258 K259 | H128-R262 PolarHBondContact O-NH1 3.36Å; H128-R262 PolarHBondContact O-NH2 2.84Å; W130-R262 VanDerWaalsContact CD2-CZ 3.43Å; S257-R262 PolarHBondContact O-NH1 2.68Å; S257-R262 WeakPolarHBondContact OG-CD 3.37Å; S257-R262 PolarHBondContact OG-NH1 3.47Å; T258-R262 VanDerWaalsContact C-NH1 3.27Å; T258-R262 WeakPolarHBondContact O-CG 3.23Å; T258-R262 PolarHBondContact O-N 2.75Å; T258-R262 VanDerWaalsContact O-N 3.11Å; T258-R262 PolarHBondContact O-NH1 2.82Å; K259-R262 PolarHBondContact O-N 3.36Å; K259-R262 VanDerWaalsContact O-N 3.15Å |
| 263 | E | 98.5 | Very high | 98.7 | Very high | 103 Ų | 103 | 48.3 Ų | 48.3 | 48% | 0.481 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -77.6 | 170.5 | 177.6 | -74.3 | 174.9 | 178.9 | 0 | 0 | 112.3 | K259 N265 G266 K334 | K259-E263 WeakPolarHBondContact CE-OE1 3.35Å; K259-E263 WeakPolarHBondContact CG-OE1 3.34Å; K259-E263 WeakPolarHBondContact O-CG 3.41Å; K259-E263 PolarHBondContact O-N 2.71Å; K259-E263 VanDerWaalsContact O-N 3.13Å; E263-N265 PolarHBondContact O-N 2.87Å; E263-G266 WeakPolarHBondContact O-CA 3.4Å; E263-G266 PolarHBondContact O-N 2.87Å; E263-K334 WeakPolarHBondContact O-CB 3.41Å |
| 264 | E | 98.1 | Very high | 98.7 | Very high | 123 Ų | 123 | 48.5 Ų | 48.5 | 58% | 0.575 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 135.7 | -176.7 | -165.3 | 60.7 | -148.1 | 0 | 0 | 112 | G266 K334 | E264-G266 PolarHBondContact O-N 3.17Å; E264-K334 IonicContact OE2-NZ 3.65Å; E264-K334 PolarHBondContact OE2-NZ 2.78Å |
| 265 | N | 98.1 | Very high | 98.6 | Very high | 99 Ų | 99 | 53.1 Ų | 53.1 | 53% | 0.529 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 19.7 | -171.2 | -55.4 | -68.6 | 0 | 0 | 0 | 115 | E263 L267 K268 K333 | E263-N265 PolarHBondContact O-N 2.87Å; N265-L267 PolarHBondContact O-N 3.3Å; N265-L267 VanDerWaalsContact O-N 3.1Å; N265-K268 PolarHBondContact O-N 2.96Å; N265-K333 CarbonylContact C-O 3.57Å; N265-K333 VanDerWaalsContact C-O 3.24Å; N265-K333 WeakPolarHBondContact CA-O 3.48Å |
| 266 | G | 98.6 | Very high | 98.6 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A260 M261 E263 E264 K268 Y269 I270 K333 | A260-G266 VanDerWaalsContact O-CA 3.25Å; A260-G266 WeakPolarHBondContact O-CA 3.33Å; M261-G266 WeakPolarHBondContact O-CA 3.46Å; E263-G266 WeakPolarHBondContact O-CA 3.4Å; E263-G266 PolarHBondContact O-N 2.87Å; E264-G266 PolarHBondContact O-N 3.17Å; G266-K268 PolarHBondContact O-N 2.97Å; G266-Y269 PolarHBondContact O-N 2.91Å; G266-I270 PolarHBondContact O-N 3.4Å; G266-K333 PolarHBondContact N-O 3.47Å |
| 267 | L | 98.3 | Very high | 98.6 | Very high | 25 Ų | 25 | 55 Ų | 55 | 13% | 0.131 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -54.7 | -33.2 | 174.5 | 179.6 | 63.6 | 0 | 0 | 0 | 112.6 | N265 Y269 I270 E271 I325 K333 | N265-L267 PolarHBondContact O-N 3.3Å; N265-L267 VanDerWaalsContact O-N 3.1Å; L267-Y269 VanDerWaalsContact C-N 3.33Å; L267-Y269 PolarHBondContact O-N 3.42Å; L267-I270 HydrophobicContact CD1-CB 4.37Å; L267-I270 HydrophobicContact CD1-CG2 4.43Å; L267-I270 WeakPolarHBondContact O-CB 3.4Å; L267-I270 PolarHBondContact O-N 3.12Å; L267-I270 VanDerWaalsContact O-N 3.15Å; L267-E271 HydrophobicContact CD1-CG 4.39Å; L267-E271 HydrophobicContact CG-CG 4.45Å; L267-E271 WeakPolarHBondContact O-CG 3.06Å; L267-E271 PolarHBondContact O-N 3.45Å; L267-I325 HydrophobicContact CD1-CD1 4.31Å; L267-I325 HydrophobicContact CD1-CG2 4.18Å; L267-K333 HydrophobicContact CB-CB 4.14Å; L267-K333 WeakPolarHBondContact CB-O 3.38Å; L267-K333 HydrophobicContact CD2-CB 4.35Å; L267-K333 HydrophobicContact CD2-CG 4.26Å; L267-K333 PolarHBondContact N-O 3.43Å |
| 268 | K | 98.5 | Very high | 98.6 | Very high | 121 Ų | 121 | 56.4 Ų | 56.4 | 53% | 0.526 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.7 | -47 | 174.4 | 177.3 | -178.3 | 169.9 | -175.6 | 0 | 111.6 | N265 G266 I270 E271 E272 | N265-K268 PolarHBondContact O-N 2.96Å; G266-K268 PolarHBondContact O-N 2.97Å; K268-I270 VanDerWaalsContact C-N 3.29Å; K268-I270 PolarHBondContact O-N 3.32Å; K268-E271 PolarHBondContact O-N 3.29Å; K268-E272 WeakPolarHBondContact CE-OE1 3.31Å; K268-E272 IonicContact NZ-OE1 3.8Å; K268-E272 WeakPolarHBondContact O-CG 3.49Å; K268-E272 PolarHBondContact O-N 2.89Å |
| 269 | Y | 98.7 | Very high | 98.6 | Very high | 106 Ų | 106 | 63 Ų | 63 | 42% | 0.416 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.4 | -28.8 | 179.8 | -60.1 | -72 | 0 | 0 | 0 | 112.1 | A260 M261 G266 L267 A273 | A260-Y269 HydrophobicContact CB-CD1 4.5Å; A260-Y269 HydrophobicContact CB-CD2 3.79Å; A260-Y269 HydrophobicContact CB-CE2 3.99Å; A260-Y269 HydrophobicContact CB-CG 4.07Å; A260-Y269 WeakPolarHBondContact O-CD2 3.06Å; M261-Y269 WeakPolarHBondContact CE-O 3.19Å; G266-Y269 PolarHBondContact O-N 2.91Å; L267-Y269 VanDerWaalsContact C-N 3.33Å; L267-Y269 PolarHBondContact O-N 3.42Å; Y269-A273 WeakPolarHBondContact O-CB 3.48Å; Y269-A273 PolarHBondContact O-N 3.04Å |
| 270 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.2 | -51.1 | 171.4 | -66.8 | 173.6 | 0 | 0 | 0 | 109.8 | M261 G266 L267 K268 E272 A273 I274 I325 V329 F337 | M261-I270 HydrophobicContact CB-CD1 4.42Å; M261-I270 HydrophobicContact CB-CG1 3.9Å; M261-I270 HydrophobicContact CG-CG1 3.79Å; M261-I270 HydrophobicContact SD-CG1 4.06Å; G266-I270 PolarHBondContact O-N 3.4Å; L267-I270 HydrophobicContact CD1-CB 4.37Å; L267-I270 HydrophobicContact CD1-CG2 4.43Å; L267-I270 WeakPolarHBondContact O-CB 3.4Å; L267-I270 PolarHBondContact O-N 3.12Å; L267-I270 VanDerWaalsContact O-N 3.15Å; K268-I270 VanDerWaalsContact C-N 3.29Å; K268-I270 PolarHBondContact O-N 3.32Å; I270-E272 VanDerWaalsContact C-N 3.35Å; I270-E272 PolarHBondContact O-N 2.78Å; I270-A273 PolarHBondContact O-N 3.38Å; I270-I274 HydrophobicContact CG2-CD1 3.75Å; I270-I274 HydrophobicContact CG2-CG1 4.47Å; I270-I274 VanDerWaalsContact O-CG1 3.29Å; I270-I274 WeakPolarHBondContact O-CG1 3.43Å; I270-I274 PolarHBondContact O-N 2.92Å; I270-I325 HydrophobicContact CG2-CD1 4.22Å; I270-I325 HydrophobicContact CG2-CG1 4.24Å; I270-V329 HydrophobicContact CD1-CG1 3.75Å; I270-F337 HydrophobicContact CG2-CB 3.89Å; I270-F337 HydrophobicContact CG2-CD1 3.99Å; I270-F337 HydrophobicContact CG2-CG 4.35Å |
| 271 | E | 98.5 | Very high | 98.5 | Very high | 110 Ų | 110 | 57.8 Ų | 57.8 | 51% | 0.514 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 178.9 | -69.2 | 174.1 | 157 | 0 | 0 | 111.7 | L267 K268 A273 I274 E275 | L267-E271 HydrophobicContact CD1-CG 4.39Å; L267-E271 HydrophobicContact CG-CG 4.45Å; L267-E271 WeakPolarHBondContact O-CG 3.06Å; L267-E271 PolarHBondContact O-N 3.45Å; K268-E271 PolarHBondContact O-N 3.29Å; E271-A273 VanDerWaalsContact C-N 3.35Å; E271-A273 PolarHBondContact O-N 2.94Å; E271-I274 PolarHBondContact O-N 3.41Å; E271-E275 WeakPolarHBondContact O-CB 3.44Å; E271-E275 PolarHBondContact O-N 3.42Å |
| 272 | E | 98.7 | Very high | 98.5 | Very high | 81 Ų | 81 | 62.1 Ų | 62.1 | 38% | 0.379 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 174 | -74.6 | 175.3 | -173.3 | 0 | 0 | 112.7 | K268 I270 K276 | K268-E272 WeakPolarHBondContact CE-OE1 3.31Å; K268-E272 IonicContact NZ-OE1 3.8Å; K268-E272 WeakPolarHBondContact O-CG 3.49Å; K268-E272 PolarHBondContact O-N 2.89Å; I270-E272 VanDerWaalsContact C-N 3.35Å; I270-E272 PolarHBondContact O-N 2.78Å; E272-K276 WeakPolarHBondContact O-CG 3.3Å; E272-K276 PolarHBondContact O-N 2.92Å |
| 273 | A | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 60.6 Ų | 60.6 | 2% | 0.017 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | M261 Y269 I270 E271 E275 K276 L277 F337 C359 | M261-A273 HydrophobicContact CE-CB 3.58Å; Y269-A273 WeakPolarHBondContact O-CB 3.48Å; Y269-A273 PolarHBondContact O-N 3.04Å; I270-A273 PolarHBondContact O-N 3.38Å; E271-A273 VanDerWaalsContact C-N 3.35Å; E271-A273 PolarHBondContact O-N 2.94Å; A273-E275 VanDerWaalsContact C-N 3.3Å; A273-E275 PolarHBondContact O-N 2.69Å; A273-K276 WeakPolarHBondContact O-CB 3.49Å; A273-K276 PolarHBondContact O-N 3.12Å; A273-K276 VanDerWaalsContact O-N 3.12Å; A273-L277 WeakPolarHBondContact O-CG 3.48Å; A273-L277 PolarHBondContact O-N 3.27Å; A273-F337 HydrophobicContact CB-CE1 4.04Å; A273-C359 HydrophobicContact CB-CB 4Å |
| 274 | I | 98.7 | Very high | 98.5 | Very high | 15 Ų | 15 | 55.7 Ų | 55.7 | 8% | 0.077 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.9 | -39.2 | 177.4 | -68.4 | 172.9 | 0 | 0 | 0 | 111.2 | I270 E271 K276 L277 S278 F312 A314 I323 I325 F337 | I270-I274 HydrophobicContact CG2-CD1 3.75Å; I270-I274 HydrophobicContact CG2-CG1 4.47Å; I270-I274 VanDerWaalsContact O-CG1 3.29Å; I270-I274 WeakPolarHBondContact O-CG1 3.43Å; I270-I274 PolarHBondContact O-N 2.92Å; E271-I274 PolarHBondContact O-N 3.41Å; I274-K276 VanDerWaalsContact C-N 3.28Å; I274-K276 PolarHBondContact O-N 3.17Å; I274-L277 WeakPolarHBondContact O-CB 3.28Å; I274-L277 PolarHBondContact O-N 3.23Å; I274-L277 VanDerWaalsContact O-N 3.17Å; I274-S278 PolarHBondContact O-N 3.39Å; I274-F312 HydrophobicContact CG2-CE1 4.19Å; I274-F312 HydrophobicContact CG2-CZ 4.12Å; I274-A314 HydrophobicContact CG2-CB 3.59Å; I274-I323 HydrophobicContact CD1-CG2 3.72Å; I274-I323 HydrophobicContact CG1-CG2 3.86Å; I274-I325 HydrophobicContact CD1-CD1 3.75Å; I274-I325 HydrophobicContact CD1-CG1 3.73Å; I274-F337 HydrophobicContact CD1-CB 4.22Å; I274-F337 HydrophobicContact CD1-CG 4.38Å; I274-F337 HydrophobicContact CG1-CD1 4.49Å; I274-F337 HydrophobicContact CG1-CG 4.36Å |
| 275 | E | 98.5 | Very high | 98.5 | Very high | 97 Ų | 97 | 50.1 Ų | 50.1 | 45% | 0.453 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.3 | -26.9 | 176.4 | 178.3 | 55.1 | -160.3 | 0 | 0 | 113.1 | E271 A273 S278 K279 | E271-E275 WeakPolarHBondContact O-CB 3.44Å; E271-E275 PolarHBondContact O-N 3.42Å; A273-E275 VanDerWaalsContact C-N 3.3Å; A273-E275 PolarHBondContact O-N 2.69Å; E275-S278 PolarHBondContact O-OG 3.06Å; E275-K279 WeakPolarHBondContact OE1-CE 3.36Å; E275-K279 IonicContact OE1-NZ 2.82Å; E275-K279 PolarHBondContact OE1-NZ 2.91Å |
| 276 | K | 98.7 | Very high | 98.5 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 28% | 0.283 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -75.9 | -39.8 | 169.9 | -63.6 | 171.1 | -158.1 | 177.4 | 0 | 111.1 | E272 A273 I274 S278 K279 T358 C359 N362 | E272-K276 WeakPolarHBondContact O-CG 3.3Å; E272-K276 PolarHBondContact O-N 2.92Å; A273-K276 WeakPolarHBondContact O-CB 3.49Å; A273-K276 PolarHBondContact O-N 3.12Å; A273-K276 VanDerWaalsContact O-N 3.12Å; I274-K276 VanDerWaalsContact C-N 3.28Å; I274-K276 PolarHBondContact O-N 3.17Å; K276-S278 VanDerWaalsContact C-N 3.32Å; K276-S278 PolarHBondContact O-N 3.28Å; K276-K279 PolarHBondContact O-N 3.08Å; K276-T358 HydrophobicContact CB-CG2 3.95Å; K276-T358 WeakPolarHBondContact CD-O 3.19Å; K276-C359 PolarHBondContact NZ-O 2.9Å; K276-N362 VanDerWaalsContact CE-OD1 3.25Å; K276-N362 WeakPolarHBondContact CE-OD1 3.4Å; K276-N362 PolarHBondContact NZ-OD1 3.08Å |
| 277 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -36.7 | 177.1 | -70.7 | 171.3 | 0 | 0 | 0 | 112.6 | A273 I274 K279 R280 H281 H284 F312 I323 F337 L355 T358 | A273-L277 WeakPolarHBondContact O-CG 3.48Å; A273-L277 PolarHBondContact O-N 3.27Å; I274-L277 WeakPolarHBondContact O-CB 3.28Å; I274-L277 PolarHBondContact O-N 3.23Å; I274-L277 VanDerWaalsContact O-N 3.17Å; L277-K279 PolarHBondContact O-N 2.93Å; L277-R280 CarbonylContact O-C 3.56Å; L277-R280 PolarHBondContact O-N 2.62Å; L277-R280 VanDerWaalsContact O-N 3.07Å; L277-H281 PolarHBondContact O-N 2.93Å; L277-H284 WeakPolarHBondContact CD2-CE1 3.48Å; L277-H284 WeakPolarHBondContact CD2-NE2 3.44Å; L277-F312 HydrophobicContact CB-CE2 3.97Å; L277-F312 HydrophobicContact CB-CZ 4Å; L277-I323 HydrophobicContact CD1-CD1 4.1Å; L277-I323 HydrophobicContact CD1-CG1 4.45Å; L277-F337 HydrophobicContact CD1-CE2 3.61Å; L277-F337 HydrophobicContact CD1-CZ 3.59Å; L277-L355 HydrophobicContact CD1-CD2 4.31Å; L277-L355 HydrophobicContact CD2-CD2 3.98Å; L277-T358 HydrophobicContact CD2-CG2 3.76Å; L277-T358 HydrophobicContact CG-CG2 4.23Å |
| 278 | S | 98.2 | Very high | 98.5 | Very high | 39 Ų | 39 | 49.7 Ų | 49.7 | 27% | 0.273 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.1 | -34.6 | 179 | 72.9 | 0 | 0 | 0 | 0 | 112.3 | I274 E275 K276 R280 F312 | I274-S278 PolarHBondContact O-N 3.39Å; E275-S278 PolarHBondContact O-OG 3.06Å; K276-S278 VanDerWaalsContact C-N 3.32Å; K276-S278 PolarHBondContact O-N 3.28Å; S278-R280 VanDerWaalsContact C-N 3.3Å; S278-R280 PolarHBondContact O-N 3.01Å; S278-F312 VanDerWaalsContact CB-CD1 3.46Å; S278-F312 VanDerWaalsContact CB-CE1 3.44Å |
| 279 | K | 98.4 | Very high | 98.5 | Very high | 143 Ų | 143 | 44.2 Ų | 44.2 | 62% | 0.622 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.3 | 180 | -66.3 | 165.3 | -174.6 | 152.1 | 0 | 114 | E275 K276 L277 | E275-K279 WeakPolarHBondContact OE1-CE 3.36Å; E275-K279 IonicContact OE1-NZ 2.82Å; E275-K279 PolarHBondContact OE1-NZ 2.91Å; K276-K279 PolarHBondContact O-N 3.08Å; L277-K279 PolarHBondContact O-N 2.93Å |
| 280 | R | 98.3 | Very high | 98.5 | Very high | 11 Ų | 11 | 41.7 Ų | 41.7 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.6 | 21.3 | -174.7 | -69.8 | -179.8 | 61.6 | 78.8 | -7.2 | 113.2 | L277 S278 Q282 Y283 H284 T358 E363 G365 | L277-R280 CarbonylContact O-C 3.56Å; L277-R280 PolarHBondContact O-N 2.62Å; L277-R280 VanDerWaalsContact O-N 3.07Å; S278-R280 VanDerWaalsContact C-N 3.3Å; S278-R280 PolarHBondContact O-N 3.01Å; R280-Q282 VanDerWaalsContact C-N 3.31Å; R280-Q282 PolarHBondContact O-N 3.29Å; R280-Y283 VanDerWaalsContact NH2-CD1 3.3Å; R280-Y283 VanDerWaalsContact NH2-CG 3.33Å; R280-Y283 WeakPolarHBondContact O-CB 3.32Å; R280-Y283 PolarHBondContact O-N 2.95Å; R280-Y283 VanDerWaalsContact O-N 3.13Å; R280-H284 PolarHBondContact O-CD2 3.43Å; R280-H284 VanDerWaalsContact O-CD2 3.29Å; R280-H284 PolarHBondContact O-N 2.55Å; R280-H284 VanDerWaalsContact O-N 3.08Å; R280-T358 HydrophobicContact CB-CG2 4.31Å; R280-T358 WeakPolarHBondContact CD-OG1 3.46Å; R280-T358 HydrophobicContact CG-CG2 4.47Å; R280-T358 PolarHBondContact NE-OG1 3.26Å; R280-E363 WeakPolarHBondContact CD-O 3.48Å; R280-E363 PolarHBondContact NE-O 2.99Å; R280-G365 PolarHBondContact NH1-O 3.4Å |
| 281 | H | 98.2 | Very high | 98.5 | Very high | 11 Ų | 11 | 46.4 Ų | 46.4 | 5% | 0.051 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -50.9 | -47.4 | -175.6 | -178 | 32.4 | 0 | 0 | 0 | 113.8 | L277 H284 I285 I309 N310 F312 R341 | L277-H281 PolarHBondContact O-N 2.93Å; H281-H284 PolarHBondContact O-N 3.07Å; H281-I285 PolarHBondContact O-N 2.77Å; H281-I309 PolarHBondContact NE2-O 2.86Å; H281-N310 PolarHBondContact CD2-O 2.8Å; H281-F312 HydrophobicContact CB-CB 4.05Å; H281-F312 HydrophobicContact CB-CD2 4.25Å; H281-R341 PolarHBondContact ND1-NH1 3.11Å |
| 282 | Q | 97.8 | Very high | 98.5 | Very high | 94 Ų | 94 | 43 Ų | 43 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.9 | -40.8 | -179 | -67.2 | -59.7 | -36.7 | 0 | 0 | 112.9 | R280 H284 I285 R286 | R280-Q282 VanDerWaalsContact C-N 3.31Å; R280-Q282 PolarHBondContact O-N 3.29Å; Q282-H284 VanDerWaalsContact C-N 3.3Å; Q282-H284 PolarHBondContact O-N 2.92Å; Q282-I285 PolarHBondContact O-N 3.36Å; Q282-R286 PolarHBondContact O-N 2.93Å; Q282-R286 VanDerWaalsContact O-N 3.11Å |
| 283 | Y | 98.6 | Very high | 98.4 | Very high | 27 Ų | 27 | 39.5 Ų | 39.5 | 11% | 0.106 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.2 | -44.3 | 172.9 | 171.6 | -91.6 | 0 | 0 | 0 | 111.3 | R280 R286 A287 A354 D366 | R280-Y283 VanDerWaalsContact NH2-CD1 3.3Å; R280-Y283 VanDerWaalsContact NH2-CG 3.33Å; R280-Y283 WeakPolarHBondContact O-CB 3.32Å; R280-Y283 PolarHBondContact O-N 2.95Å; R280-Y283 VanDerWaalsContact O-N 3.13Å; Y283-R286 PolarHBondContact O-N 3.06Å; Y283-A287 PolarHBondContact O-N 3.49Å; Y283-A354 HydrophobicContact CE1-CB 3.89Å; Y283-D366 WeakPolarHBondContact CD2-O 3.48Å |
| 284 | H | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 178.4 | -80.7 | -95.9 | 0 | 0 | 0 | 112.3 | L277 R280 H281 Q282 R286 A287 Y288 A354 T358 | L277-H284 WeakPolarHBondContact CD2-CE1 3.48Å; L277-H284 WeakPolarHBondContact CD2-NE2 3.44Å; R280-H284 PolarHBondContact O-CD2 3.43Å; R280-H284 VanDerWaalsContact O-CD2 3.29Å; R280-H284 PolarHBondContact O-N 2.55Å; R280-H284 VanDerWaalsContact O-N 3.08Å; H281-H284 PolarHBondContact O-N 3.07Å; Q282-H284 VanDerWaalsContact C-N 3.3Å; Q282-H284 PolarHBondContact O-N 2.92Å; H284-R286 VanDerWaalsContact C-N 3.27Å; H284-R286 PolarHBondContact O-N 2.78Å; H284-A287 PolarHBondContact O-N 2.86Å; H284-Y288 HydrophobicContact CB-CD2 4.41Å; H284-Y288 HydrophobicContact CB-CE1 4.21Å; H284-Y288 HydrophobicContact CB-CE2 3.95Å; H284-Y288 AromaticContact CG-CZ 4Å; H284-Y288 AromaticContact ND1-CE1 3.68Å; H284-Y288 AromaticContact ND1-CZ 3.35Å; H284-Y288 VanDerWaalsContact ND1-CZ 3.35Å; H284-Y288 PolarHBondContact ND1-OH 3.02Å; H284-Y288 VanDerWaalsContact O-CB 3.26Å; H284-Y288 WeakPolarHBondContact O-CB 3.47Å; H284-Y288 WeakPolarHBondContact O-CD1 3.35Å; H284-Y288 PolarHBondContact O-N 3.14Å; H284-Y288 VanDerWaalsContact O-N 3.11Å; H284-A354 PolarHBondContact CE1-O 3.44Å; H284-A354 VanDerWaalsContact CE1-O 3.31Å; H284-T358 VanDerWaalsContact NE2-CB 3.34Å; H284-T358 WeakPolarHBondContact NE2-CB 3.25Å; H284-T358 PolarHBondContact NE2-OG1 2.66Å |
| 285 | I | 98.5 | Very high | 98.4 | Very high | 7 Ų | 7 | 45.5 Ų | 45.5 | 4% | 0.036 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.5 | -41.7 | 176.1 | -69.7 | -58 | 0 | 0 | 0 | 111.3 | H281 Q282 A287 Y288 L300 I309 R341 | H281-I285 PolarHBondContact O-N 2.77Å; Q282-I285 PolarHBondContact O-N 3.36Å; I285-A287 VanDerWaalsContact C-N 3.25Å; I285-A287 PolarHBondContact O-N 2.92Å; I285-Y288 PolarHBondContact O-N 2.89Å; I285-Y288 VanDerWaalsContact O-N 3.17Å; I285-L300 HydrophobicContact CD1-CD1 3.99Å; I285-I309 HydrophobicContact CD1-CG1 4.06Å; I285-I309 HydrophobicContact CG1-CG1 4.25Å; I285-I309 HydrophobicContact CG2-CD1 3.93Å; I285-I309 HydrophobicContact CG2-CG1 3.95Å; I285-R341 HydrophobicContact CD1-CB 4.37Å |
| 286 | R | 98.4 | Very high | 98.3 | Very high | 100 Ų | 100 | 40.9 Ų | 40.9 | 38% | 0.377 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.3 | -33.2 | 174.8 | -70.2 | -167.8 | -65.2 | -106 | 7 | 113.4 | Q282 Y283 H284 G292 D366 | Q282-R286 PolarHBondContact O-N 2.93Å; Q282-R286 VanDerWaalsContact O-N 3.11Å; Y283-R286 PolarHBondContact O-N 3.06Å; H284-R286 VanDerWaalsContact C-N 3.27Å; H284-R286 PolarHBondContact O-N 2.78Å; R286-G292 WeakPolarHBondContact O-CA 3.4Å; R286-D366 IonicContact CZ-OD1 3.63Å; R286-D366 IonicContact NH1-OD1 3.47Å; R286-D366 PolarHBondContact NH1-OD1 3.39Å; R286-D366 PolarHBondContact NH2-O 2.98Å; R286-D366 IonicContact NH2-OD1 3.51Å; R286-D366 PolarHBondContact NH2-OD1 3.05Å |
| 287 | A | 98.6 | Very high | 98.3 | Very high | 15 Ų | 15 | 40 Ų | 40 | 12% | 0.124 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -84 | -11.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y283 H284 I285 S350 A354 | Y283-A287 PolarHBondContact O-N 3.49Å; H284-A287 PolarHBondContact O-N 2.86Å; I285-A287 VanDerWaalsContact C-N 3.25Å; I285-A287 PolarHBondContact O-N 2.92Å; A287-S350 PolarHBondContact O-OG 3.24Å; A287-A354 HydrophobicContact CB-CB 3.99Å |
| 288 | Y | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -99.7 | 2.7 | -163.5 | -80.3 | 10.7 | 0 | 0 | 0 | 114.9 | H284 I285 D339 R341 P342 S343 C346 V351 A354 | H284-Y288 HydrophobicContact CB-CD2 4.41Å; H284-Y288 HydrophobicContact CB-CE1 4.21Å; H284-Y288 HydrophobicContact CB-CE2 3.95Å; H284-Y288 AromaticContact CG-CZ 4Å; H284-Y288 AromaticContact ND1-CE1 3.68Å; H284-Y288 AromaticContact ND1-CZ 3.35Å; H284-Y288 VanDerWaalsContact ND1-CZ 3.35Å; H284-Y288 PolarHBondContact ND1-OH 3.02Å; H284-Y288 VanDerWaalsContact O-CB 3.26Å; H284-Y288 WeakPolarHBondContact O-CB 3.47Å; H284-Y288 WeakPolarHBondContact O-CD1 3.35Å; H284-Y288 PolarHBondContact O-N 3.14Å; H284-Y288 VanDerWaalsContact O-N 3.11Å; I285-Y288 PolarHBondContact O-N 2.89Å; I285-Y288 VanDerWaalsContact O-N 3.17Å; Y288-D339 WeakPolarHBondContact CE2-OD2 3.45Å; Y288-D339 PolarHBondContact OH-OD2 3.3Å; Y288-R341 HydrophobicContact CD2-CB 3.6Å; Y288-R341 HydrophobicContact CE2-CB 3.7Å; Y288-P342 HydrophobicContact CD1-CG 4.4Å; Y288-P342 HydrophobicContact CD2-CB 4.31Å; Y288-P342 HydrophobicContact CD2-CG 3.82Å; Y288-P342 HydrophobicContact CE1-CG 4.41Å; Y288-P342 HydrophobicContact CE2-CG 3.8Å; Y288-P342 HydrophobicContact CG-CB 4.28Å; Y288-P342 HydrophobicContact CG-CG 4.11Å; Y288-S343 VanDerWaalsContact O-CB 3.27Å; Y288-S343 WeakPolarHBondContact O-CB 3.41Å; Y288-S343 PolarHBondContact O-N 2.85Å; Y288-S343 VanDerWaalsContact O-N 3.07Å; Y288-C346 VanDerWaalsContact O-CB 3.28Å; Y288-C346 WeakPolarHBondContact O-CB 3.37Å; Y288-V351 HydrophobicContact CD1-CB 4.37Å; Y288-V351 HydrophobicContact CD1-CG1 4.32Å; Y288-V351 HydrophobicContact CD1-CG2 3.82Å; Y288-V351 HydrophobicContact CE1-CB 4.23Å; Y288-V351 HydrophobicContact CE1-CG1 3.85Å; Y288-V351 HydrophobicContact CE1-CG2 4.17Å; Y288-A354 HydrophobicContact CE1-CB 4.46Å |
| 289 | D | 98.7 | Very high | 98.3 | Very high | 5 Ų | 5 | 43 Ų | 43 | 3% | 0.027 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -152 | 157.3 | 157.4 | 67.6 | 74.5 | 0 | 0 | 0 | 110.3 | K291 G292 G293 D295 N296 | D289-K291 PolarHBondContact O-N 2.57Å; D289-K291 VanDerWaalsContact O-N 3.07Å; D289-K291 VanDerWaalsContact OD1-CA 3.23Å; D289-K291 WeakPolarHBondContact OD1-CA 3.28Å; D289-K291 WeakPolarHBondContact OD1-CB 3.24Å; D289-K291 PolarHBondContact OD1-N 2.91Å; D289-G292 PolarHBondContact O-N 3.16Å; D289-G292 VanDerWaalsContact O-N 3.16Å; D289-G292 PolarHBondContact OD1-N 3.45Å; D289-G292 VanDerWaalsContact OD1-N 3.14Å; D289-G293 VanDerWaalsContact CG-N 3.33Å; D289-G293 PolarHBondContact OD1-N 2.94Å; D289-G293 VanDerWaalsContact OD1-N 3.11Å; D289-G293 WeakPolarHBondContact OD2-CA 3.21Å; D289-G293 PolarHBondContact OD2-N 2.89Å; D289-D295 HydrophobicContact CB-CB 4.29Å; D289-N296 VanDerWaalsContact OD2-CB 3.23Å; D289-N296 WeakPolarHBondContact OD2-CB 3.3Å; D289-N296 PolarHBondContact OD2-N 3.07Å |
| 290 | P | 98.4 | Very high | 98.2 | Very high | 53 Ų | 53 | 36.3 Ų | 36.3 | 34% | 0.344 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -10.3 | -177.2 | -26.7 | 40.1 | 0 | 0 | 0 | 115.2 | E38 N345 | E38-P290 HydrophobicContact CG-CB 4.13Å; E38-P290 HydrophobicContact CG-CG 3.68Å; P290-N345 WeakPolarHBondContact CD-O 2.92Å |
| 291 | K | 98.4 | Very high | 98.1 | Very high | 100 Ų | 100 | 38.3 Ų | 38.3 | 44% | 0.435 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 21.4 | 177.6 | -57.3 | -162.3 | -170.7 | 92.7 | 0 | 112.8 | E38 D289 G293 L294 D295 | E38-K291 IonicContact OE1-NZ 3.65Å; D289-K291 PolarHBondContact O-N 2.57Å; D289-K291 VanDerWaalsContact O-N 3.07Å; D289-K291 VanDerWaalsContact OD1-CA 3.23Å; D289-K291 WeakPolarHBondContact OD1-CA 3.28Å; D289-K291 WeakPolarHBondContact OD1-CB 3.24Å; D289-K291 PolarHBondContact OD1-N 2.91Å; K291-G293 VanDerWaalsContact C-N 3.34Å; K291-G293 PolarHBondContact O-N 2.93Å; K291-L294 HydrophobicContact CB-CB 4.06Å; K291-L294 WeakPolarHBondContact O-CG 3.43Å; K291-L294 PolarHBondContact O-N 3.21Å; K291-D295 WeakPolarHBondContact CD-OD2 3.33Å; K291-D295 WeakPolarHBondContact CG-OD2 3.45Å; K291-D295 VanDerWaalsContact NZ-CG 3.34Å; K291-D295 IonicContact NZ-OD1 3.57Å; K291-D295 PolarHBondContact NZ-OD1 2.92Å; K291-D295 IonicContact NZ-OD2 3.49Å; K291-D295 PolarHBondContact NZ-OD2 2.98Å |
| 292 | G | 98 | Very high | 97.9 | Very high | 39 Ų | 39 | 39.8 Ų | 39.8 | 40% | 0.402 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.9 | 23.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115 | R286 D289 | R286-G292 WeakPolarHBondContact O-CA 3.4Å; D289-G292 PolarHBondContact O-N 3.16Å; D289-G292 VanDerWaalsContact O-N 3.16Å; D289-G292 PolarHBondContact OD1-N 3.45Å; D289-G292 VanDerWaalsContact OD1-N 3.14Å |
| 293 | G | 98 | Very high | 97.5 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 7% | 0.072 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 110.7 | -14.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D289 K291 N296 A297 | D289-G293 VanDerWaalsContact CG-N 3.33Å; D289-G293 PolarHBondContact OD1-N 2.94Å; D289-G293 VanDerWaalsContact OD1-N 3.11Å; D289-G293 WeakPolarHBondContact OD2-CA 3.21Å; D289-G293 PolarHBondContact OD2-N 2.89Å; K291-G293 VanDerWaalsContact C-N 3.34Å; K291-G293 PolarHBondContact O-N 2.93Å; G293-N296 PolarHBondContact O-N 2.87Å; G293-A297 PolarHBondContact O-N 3.08Å |
| 294 | L | 98.1 | Very high | 97 | Very high | 130 Ų | 130 | 44 Ų | 44 | 68% | 0.681 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -38.6 | -173.6 | -69 | 174.9 | 0 | 0 | 0 | 112.5 | K291 | K291-L294 HydrophobicContact CB-CB 4.06Å; K291-L294 WeakPolarHBondContact O-CG 3.43Å; K291-L294 PolarHBondContact O-N 3.21Å |
| 295 | D | 98.2 | Very high | 96.4 | Very high | 13 Ų | 13 | 48.6 Ų | 48.6 | 7% | 0.07 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -45.1 | 176.6 | -78.5 | -37.7 | 0 | 0 | 0 | 110.7 | P240 D289 K291 A297 R298 N345 | P240-D295 HydrophobicContact CG-CB 3.83Å; P240-D295 WeakPolarHBondContact CG-O 3.28Å; D289-D295 HydrophobicContact CB-CB 4.29Å; K291-D295 WeakPolarHBondContact CD-OD2 3.33Å; K291-D295 WeakPolarHBondContact CG-OD2 3.45Å; K291-D295 VanDerWaalsContact NZ-CG 3.34Å; K291-D295 IonicContact NZ-OD1 3.57Å; K291-D295 PolarHBondContact NZ-OD1 2.92Å; K291-D295 IonicContact NZ-OD2 3.49Å; K291-D295 PolarHBondContact NZ-OD2 2.98Å; D295-A297 PolarHBondContact O-N 3Å; D295-R298 WeakPolarHBondContact O-CB 3.16Å; D295-R298 PolarHBondContact O-N 3.33Å; D295-R298 VanDerWaalsContact O-N 3.17Å; D295-R298 IonicContact OD1-CZ 4Å; D295-R298 IonicContact OD1-NH2 3.05Å; D295-R298 PolarHBondContact OD1-NH2 3.02Å; D295-N345 PolarHBondContact OD2-ND2 2.76Å |
| 296 | N | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -68 | -23 | -176 | -153.8 | 14 | 0 | 0 | 0 | 113.1 | D289 G293 R298 R299 L300 I309 R341 | D289-N296 VanDerWaalsContact OD2-CB 3.23Å; D289-N296 WeakPolarHBondContact OD2-CB 3.3Å; D289-N296 PolarHBondContact OD2-N 3.07Å; G293-N296 PolarHBondContact O-N 2.87Å; N296-R298 PolarHBondContact O-N 3.07Å; N296-R299 PolarHBondContact O-N 3.48Å; N296-R299 VanDerWaalsContact OD1-CZ 3.29Å; N296-R299 PolarHBondContact OD1-NE 3.11Å; N296-R299 PolarHBondContact OD1-NH2 3.31Å; N296-L300 WeakPolarHBondContact ND2-CD1 3.22Å; N296-L300 PolarHBondContact O-N 3.15Å; N296-I309 HydrophobicContact CB-CD1 4.46Å; N296-R341 PolarHBondContact ND2-O 3.17Å |
| 297 | A | 97.6 | Very high | 95.7 | Very high | 47 Ų | 47 | 44.7 Ų | 44.7 | 39% | 0.388 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -57.9 | -27.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | G293 D295 R299 I309 | G293-A297 PolarHBondContact O-N 3.08Å; D295-A297 PolarHBondContact O-N 3Å; A297-R299 VanDerWaalsContact C-N 3.29Å; A297-I309 VanDerWaalsContact CA-CD1 3.49Å; A297-I309 HydrophobicContact CB-CD1 3.86Å |
| 298 | R | 98.1 | Very high | 95.6 | Very high | 91 Ų | 91 | 46.5 Ų | 46.5 | 34% | 0.343 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -74.6 | -20.4 | 175.4 | -61.8 | -179.8 | -71.8 | 118.4 | -7.3 | 113 | D239 K241 D295 N296 | D239-R298 IonicContact OD1-CZ 3.5Å; D239-R298 IonicContact OD1-NH1 2.72Å; D239-R298 PolarHBondContact OD1-NH1 3Å; D239-R298 IonicContact OD1-NH2 3.37Å; D239-R298 PolarHBondContact OD1-NH2 3.16Å; D239-R298 IonicContact OD2-CZ 3.44Å; D239-R298 IonicContact OD2-NH1 3.3Å; D239-R298 PolarHBondContact OD2-NH1 3.35Å; D239-R298 IonicContact OD2-NH2 2.72Å; D239-R298 PolarHBondContact OD2-NH2 3.41Å; K241-R298 HydrophobicContact CB-CB 3.75Å; K241-R298 HydrophobicContact CG-CB 4.26Å; K241-R298 WeakPolarHBondContact CG-O 3.31Å; K241-R298 PolarHBondContact O-NH1 3.26Å; D295-R298 WeakPolarHBondContact O-CB 3.16Å; D295-R298 PolarHBondContact O-N 3.33Å; D295-R298 VanDerWaalsContact O-N 3.17Å; D295-R298 IonicContact OD1-CZ 4Å; D295-R298 IonicContact OD1-NH2 3.05Å; D295-R298 PolarHBondContact OD1-NH2 3.02Å; N296-R298 PolarHBondContact O-N 3.07Å |
| 299 | R | 98.2 | Very high | 95.5 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 4% | 0.038 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -53.6 | -177.3 | -178.4 | -177.4 | 73 | 94.8 | 2 | 112.5 | P240 A250 N296 A297 T301 T306 R340 R341 P342 | P240-R299 HydrophobicContact CB-CB 3.98Å; A250-R299 WeakPolarHBondContact O-CD 3.24Å; N296-R299 PolarHBondContact O-N 3.48Å; N296-R299 VanDerWaalsContact OD1-CZ 3.29Å; N296-R299 PolarHBondContact OD1-NE 3.11Å; N296-R299 PolarHBondContact OD1-NH2 3.31Å; A297-R299 VanDerWaalsContact C-N 3.29Å; R299-T301 VanDerWaalsContact C-N 3.33Å; R299-T301 PolarHBondContact O-N 3.38Å; R299-T306 HydrophobicContact CG-CG2 4.26Å; R299-T306 PolarHBondContact O-OG1 3.11Å; R299-R340 PolarHBondContact NH1-O 3.23Å; R299-R340 PolarHBondContact NH2-O 3.18Å; R299-R341 VanDerWaalsContact NH2-C 3.33Å; R299-R341 PolarHBondContact NH2-O 3.37Å; R299-P342 PolarHBondContact NH2-O 3.14Å; R299-P342 VanDerWaalsContact NH2-O 3.15Å |
| 300 | L | 97.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.016 | 29% | 0.289 | C | S | . | . | trans | -78.2 | 76.1 | -173.5 | -69.4 | -177.2 | 0 | 0 | 0 | 112.1 | I285 N296 T306 S307 I309 R341 | I285-L300 HydrophobicContact CD1-CD1 3.99Å; N296-L300 WeakPolarHBondContact ND2-CD1 3.22Å; N296-L300 PolarHBondContact O-N 3.15Å; L300-T306 HydrophobicContact CD2-CG2 4.48Å; L300-S307 CarbonylContact C-O 3.13Å; L300-S307 VanDerWaalsContact CA-O 3.3Å; L300-S307 WeakPolarHBondContact CA-O 3.5Å; L300-I309 HydrophobicContact CB-CB 3.84Å; L300-I309 HydrophobicContact CB-CG1 4.42Å; L300-I309 HydrophobicContact CD1-CB 4.49Å; L300-I309 HydrophobicContact CD1-CG1 4.32Å; L300-I309 PolarHBondContact O-N 3.33Å; L300-R341 HydrophobicContact CD1-CB 4.43Å | ||
| 301 | T | 96.4 | Very high | 95.3 | Very high | 53 Ų | 53 | 55 Ų | 55 | 33% | 0.325 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -107.3 | -10.4 | -172.7 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | R299 F303 T306 S307 | R299-T301 VanDerWaalsContact C-N 3.33Å; R299-T301 PolarHBondContact O-N 3.38Å; T301-F303 VanDerWaalsContact C-N 3.27Å; T301-F303 PolarHBondContact OG1-N 3.2Å; T301-T306 PolarHBondContact N-OG1 2.94Å; T301-S307 PolarHBondContact N-O 3.42Å |
| 302 | G | 92.6 | Very high | 95.2 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 42% | 0.423 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 87.1 | -10 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | T306 S307 | G302-T306 CarbonylContact C-O 3.52Å; G302-T306 VanDerWaalsContact CA-O 3.25Å; G302-T306 WeakPolarHBondContact CA-O 3.48Å; G302-T306 PolarHBondContact N-OG1 2.81Å; G302-S307 PolarHBondContact N-O 3.31Å |
| 303 | F | 89.4 | Confident | 95.2 | Very high | 148 Ų | 148 | 52.9 Ų | 52.9 | 65% | 0.649 | 29% | 0.285 | S | S | * | . | trans | -100.3 | 166.6 | 173.5 | -58.5 | -69.9 | 0 | 0 | 0 | 111 | T301 E305 T306 | T301-F303 VanDerWaalsContact C-N 3.27Å; T301-F303 PolarHBondContact OG1-N 3.2Å; F303-E305 PolarHBondContact O-N 3.08Å; F303-T306 PolarHBondContact O-N 3.13Å; F303-T306 PolarHBondContact O-OG1 3.12Å | ||
| 304 | H | 88.6 | Confident | 95.2 | Very high | 61 Ų | 61 | 54.9 Ų | 54.9 | 28% | 0.282 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 47.5 | 177.4 | -52.1 | -68.7 | 0 | 0 | 0 | 114.2 | T306 | H304-T306 PolarHBondContact O-N 2.89Š|
| 305 | E | 86.7 | Confident | 95 | Very high | 98 Ų | 98 | 49.6 Ų | 49.6 | 46% | 0.458 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 27.2 | 178.7 | -58.9 | -179.3 | -141.8 | 0 | 0 | 114.3 | F303 R319 | F303-E305 PolarHBondContact O-N 3.08Å; E305-R319 VanDerWaalsContact O-O 3.08Å; E305-R319 WeakPolarHBondContact OE2-CD 3.36Å; E305-R319 IonicContact OE2-CZ 2.89Å; E305-R319 IonicContact OE2-NH1 3.73Å; E305-R319 PolarHBondContact OE2-NH1 3.37Å; E305-R319 VanDerWaalsContact OE2-NH1 3.08Å |
| 306 | T | 89.2 | Confident | 94.9 | Very high | 18 Ų | 18 | 53 Ų | 53 | 11% | 0.11 | 30% | 0.298 | C | S | . | . | trans | -107.4 | 155.7 | 173.3 | 66.3 | 0 | 0 | 0 | 0 | 112 | R299 L300 T301 G302 F303 H304 | R299-T306 HydrophobicContact CG-CG2 4.26Å; R299-T306 PolarHBondContact O-OG1 3.11Å; L300-T306 HydrophobicContact CD2-CG2 4.48Å; T301-T306 PolarHBondContact N-OG1 2.94Å; G302-T306 CarbonylContact C-O 3.52Å; G302-T306 VanDerWaalsContact CA-O 3.25Å; G302-T306 WeakPolarHBondContact CA-O 3.48Å; G302-T306 PolarHBondContact N-OG1 2.81Å; F303-T306 PolarHBondContact O-N 3.13Å; F303-T306 PolarHBondContact O-OG1 3.12Å; H304-T306 PolarHBondContact O-N 2.89Å | ||
| 307 | S | 93.3 | Very high | 94.6 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 5% | 0.049 | 31% | 0.308 | C | S | . | . | trans | -75.1 | 165.8 | 164 | 72.5 | 0 | 0 | 0 | 0 | 110.7 | L300 T301 G302 S320 | L300-S307 CarbonylContact C-O 3.13Å; L300-S307 VanDerWaalsContact CA-O 3.3Å; L300-S307 WeakPolarHBondContact CA-O 3.5Å; T301-S307 PolarHBondContact N-O 3.42Å; G302-S307 PolarHBondContact N-O 3.31Å; S307-S320 VanDerWaalsContact CA-O 3.22Å; S307-S320 WeakPolarHBondContact CA-O 3.4Å; S307-S320 VanDerWaalsContact CB-O 3.32Å; S307-S320 WeakPolarHBondContact CB-O 3.26Å; S307-S320 PolarHBondContact N-O 3.15Å | ||
| 308 | N | 95.3 | Very high | 94.3 | Very high | 53 Ų | 53 | 55 Ų | 55 | 28% | 0.283 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -73.4 | 147.2 | 164.1 | -164.6 | -77 | 0 | 0 | 0 | 109.5 | N310 | N308-N310 PolarHBondContact O-N 3.22Å; N308-N310 WeakPolarHBondContact OD1-CB 3.4Å; N308-N310 PolarHBondContact OD1-N 3.48Å; N308-N310 PolarHBondContact OD1-ND2 2.99Å |
| 309 | I | 97 | Very high | 93.8 | Very high | 26 Ų | 26 | 57 Ų | 57 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -68.5 | -21.5 | 178.2 | -164.6 | 162.1 | 0 | 0 | 0 | 113.7 | H281 I285 N296 A297 L300 | H281-I309 PolarHBondContact NE2-O 2.86Å; I285-I309 HydrophobicContact CD1-CG1 4.06Å; I285-I309 HydrophobicContact CG1-CG1 4.25Å; I285-I309 HydrophobicContact CG2-CD1 3.93Å; I285-I309 HydrophobicContact CG2-CG1 3.95Å; N296-I309 HydrophobicContact CB-CD1 4.46Å; A297-I309 VanDerWaalsContact CA-CD1 3.49Å; A297-I309 HydrophobicContact CB-CD1 3.86Å; L300-I309 HydrophobicContact CB-CB 3.84Å; L300-I309 HydrophobicContact CB-CG1 4.42Å; L300-I309 HydrophobicContact CD1-CB 4.49Å; L300-I309 HydrophobicContact CD1-CG1 4.32Å; L300-I309 PolarHBondContact O-N 3.33Å |
| 310 | N | 96.3 | Very high | 93.5 | Very high | 106 Ų | 106 | 59.3 Ų | 59.3 | 57% | 0.567 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -90.6 | -28.3 | -175 | -59.1 | -60.5 | 0 | 0 | 0 | 113.2 | H281 N308 | H281-N310 PolarHBondContact CD2-O 2.8Å; N308-N310 PolarHBondContact O-N 3.22Å; N308-N310 WeakPolarHBondContact OD1-CB 3.4Å; N308-N310 PolarHBondContact OD1-N 3.48Å; N308-N310 PolarHBondContact OD1-ND2 2.99Å |
| 311 | D | 96.1 | Very high | 93.4 | Very high | 105 Ų | 105 | 59.2 Ų | 59.2 | 56% | 0.561 | 33% | 0.331 | S | S | * | . | trans | -109.3 | 126.8 | -169.9 | -58 | -51.8 | 0 | 0 | 0 | 111.2 | S322 | D311-S322 PolarHBondContact O-OG 3.31Š| ||
| 312 | F | 98 | Very high | 93.4 | Very high | 50 Ų | 50 | 56.7 Ų | 56.7 | 22% | 0.219 | 32% | 0.315 | C | S | . | . | trans | -81.8 | 134.2 | 169.8 | -174.2 | -89.7 | 0 | 0 | 0 | 110.8 | I274 L277 S278 H281 A314 I323 | I274-F312 HydrophobicContact CG2-CE1 4.19Å; I274-F312 HydrophobicContact CG2-CZ 4.12Å; L277-F312 HydrophobicContact CB-CE2 3.97Å; L277-F312 HydrophobicContact CB-CZ 4Å; S278-F312 VanDerWaalsContact CB-CD1 3.46Å; S278-F312 VanDerWaalsContact CB-CE1 3.44Å; H281-F312 HydrophobicContact CB-CB 4.05Å; H281-F312 HydrophobicContact CB-CD2 4.25Å; F312-A314 HydrophobicContact CE1-CB 4.22Å; F312-I323 HydrophobicContact CE2-CD1 4.3Å; F312-I323 HydrophobicContact CE2-CG1 3.64Å; F312-I323 HydrophobicContact CZ-CB 4.44Å; F312-I323 HydrophobicContact CZ-CG1 3.49Å; F312-I323 VanDerWaalsContact CZ-CG1 3.49Å | ||
| 313 | S | 97.5 | Very high | 93.7 | Very high | 44 Ų | 44 | 54.8 Ų | 54.8 | 31% | 0.308 | 30% | 0.295 | S | S | . | . | trans | -143.4 | 150.3 | 173.1 | 53.2 | 0 | 0 | 0 | 0 | 111.5 | A321 S322 I323 | S313-A321 WeakPolarHBondContact OG-CA 3.09Å; S313-S322 PolarHBondContact N-OG 3.2Å; S313-S322 WeakPolarHBondContact O-CA 3.23Å; S313-S322 WeakPolarHBondContact O-CB 3.27Å; S313-S322 PolarHBondContact O-N 2.82Å; S313-S322 PolarHBondContact OG-N 3.31Å; S313-S322 VanDerWaalsContact OG-N 3.12Å; S313-S322 PolarHBondContact OG-OG 3.45Å; S313-I323 PolarHBondContact O-N 3.07Å | ||
| 314 | A | 97 | Very high | 94.1 | Very high | 48 Ų | 48 | 50.4 Ų | 50.4 | 40% | 0.397 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 149.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I274 F312 I323 | I274-A314 HydrophobicContact CG2-CB 3.59Å; F312-A314 HydrophobicContact CE1-CB 4.22Å; A314-I323 VanDerWaalsContact CA-O 3.23Å; A314-I323 WeakPolarHBondContact CA-O 3.4Å; A314-I323 HydrophobicContact CB-CB 4.09Å |
| 315 | G | 95.5 | Very high | 94.6 | Very high | 19 Ų | 19 | 48 Ų | 48 | 20% | 0.196 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | 157.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A317 I323 I325 | G315-A317 PolarHBondContact O-N 3.45Å; G315-I323 PolarHBondContact N-O 3.04Å; G315-I323 VanDerWaalsContact N-O 3.15Å; G315-I325 PolarHBondContact O-N 2.92Å |
| 316 | V | 94.7 | Very high | 95.2 | Very high | 84 Ų | 84 | 43.7 Ų | 43.7 | 51% | 0.509 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 121.3 | 174.3 | -178 | 0 | 0 | 0 | 0 | 109.5 | N318 I325 | V316-N318 PolarHBondContact O-N 2.79Å; V316-N318 VanDerWaalsContact O-N 3.11Å; V316-I325 CarbonylContact C-O 3.51Å; V316-I325 WeakPolarHBondContact CA-O 3.08Å; V316-I325 HydrophobicContact CG2-CB 4.37Å |
| 317 | A | 91.2 | Very high | 95.5 | Very high | 25 Ų | 25 | 50.1 Ų | 50.1 | 21% | 0.207 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 54 | 25.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | G315 I325 R327 | G315-A317 PolarHBondContact O-N 3.45Å; A317-I325 PolarHBondContact N-O 2.94Å; A317-R327 HydrophobicContact CB-CB 4.01Å |
| 318 | N | 92.2 | Very high | 95.7 | Very high | 65 Ų | 65 | 53.3 Ų | 53.3 | 35% | 0.348 | 29% | 0.286 | S | S | . | . | trans | -89.5 | 110.8 | 178.5 | -172.3 | -4.3 | 0 | 0 | 0 | 110.6 | V316 S320 A321 | V316-N318 PolarHBondContact O-N 2.79Å; V316-N318 VanDerWaalsContact O-N 3.11Å; N318-S320 PolarHBondContact OD1-N 3.1Å; N318-S320 PolarHBondContact OD1-OG 3.42Å; N318-S320 VanDerWaalsContact OD1-OG 3.07Å; N318-A321 HydrophobicContact CB-CB 3.92Å | ||
| 319 | R | 87.6 | Confident | 95.8 | Very high | 133 Ų | 133 | 51 Ų | 51 | 50% | 0.502 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -24.9 | -177.1 | -65.6 | -169.9 | 179.5 | -168.2 | -3.3 | 114.1 | E305 R340 | E305-R319 VanDerWaalsContact O-O 3.08Å; E305-R319 WeakPolarHBondContact OE2-CD 3.36Å; E305-R319 IonicContact OE2-CZ 2.89Å; E305-R319 IonicContact OE2-NH1 3.73Å; E305-R319 PolarHBondContact OE2-NH1 3.37Å; E305-R319 VanDerWaalsContact OE2-NH1 3.08Å; R319-R340 PolarHBondContact O-NE 3.05Å |
| 320 | S | 91 | Very high | 95.8 | Very high | 59 Ų | 59 | 50.9 Ų | 50.9 | 41% | 0.413 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 1.1 | 179.1 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | S307 N318 | S307-S320 VanDerWaalsContact CA-O 3.22Å; S307-S320 WeakPolarHBondContact CA-O 3.4Å; S307-S320 VanDerWaalsContact CB-O 3.32Å; S307-S320 WeakPolarHBondContact CB-O 3.26Å; S307-S320 PolarHBondContact N-O 3.15Å; N318-S320 PolarHBondContact OD1-N 3.1Å; N318-S320 PolarHBondContact OD1-OG 3.42Å; N318-S320 VanDerWaalsContact OD1-OG 3.07Å |
| 321 | A | 94.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -77.8 | 154.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S313 N318 I323 | S313-A321 WeakPolarHBondContact OG-CA 3.09Å; N318-A321 HydrophobicContact CB-CB 3.92Å; A321-I323 VanDerWaalsContact C-N 3.34Å; A321-I323 WeakPolarHBondContact CB-O 3.3Å |
| 322 | S | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -62.2 | -44.5 | 171 | -47.8 | 0 | 0 | 0 | 0 | 111.3 | D311 S313 R340 | D311-S322 PolarHBondContact O-OG 3.31Å; S313-S322 PolarHBondContact N-OG 3.2Å; S313-S322 WeakPolarHBondContact O-CA 3.23Å; S313-S322 WeakPolarHBondContact O-CB 3.27Å; S313-S322 PolarHBondContact O-N 2.82Å; S313-S322 PolarHBondContact OG-N 3.31Å; S313-S322 VanDerWaalsContact OG-N 3.12Å; S313-S322 PolarHBondContact OG-OG 3.45Å; S322-R340 PolarHBondContact O-N 2.81Å |
| 323 | I | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130.1 | 174.2 | -52.1 | -59.8 | 0 | 0 | 0 | 110.3 | I274 L277 F312 S313 A314 G315 A321 F337 E338 D339 | I274-I323 HydrophobicContact CD1-CG2 3.72Å; I274-I323 HydrophobicContact CG1-CG2 3.86Å; L277-I323 HydrophobicContact CD1-CD1 4.1Å; L277-I323 HydrophobicContact CD1-CG1 4.45Å; F312-I323 HydrophobicContact CE2-CD1 4.3Å; F312-I323 HydrophobicContact CE2-CG1 3.64Å; F312-I323 HydrophobicContact CZ-CB 4.44Å; F312-I323 HydrophobicContact CZ-CG1 3.49Å; F312-I323 VanDerWaalsContact CZ-CG1 3.49Å; S313-I323 PolarHBondContact O-N 3.07Å; A314-I323 VanDerWaalsContact CA-O 3.23Å; A314-I323 WeakPolarHBondContact CA-O 3.4Å; A314-I323 HydrophobicContact CB-CB 4.09Å; G315-I323 PolarHBondContact N-O 3.04Å; G315-I323 VanDerWaalsContact N-O 3.15Å; A321-I323 VanDerWaalsContact C-N 3.34Å; A321-I323 WeakPolarHBondContact CB-O 3.3Å; I323-F337 HydrophobicContact CD1-CD2 4.48Å; I323-F337 HydrophobicContact CD1-CE2 4.35Å; I323-F337 HydrophobicContact CG2-CB 4.07Å; I323-F337 HydrophobicContact CG2-CD2 3.53Å; I323-F337 HydrophobicContact CG2-CE2 4.28Å; I323-F337 HydrophobicContact CG2-CG 4.1Å; I323-E338 WeakPolarHBondContact CA-O 3.38Å; I323-D339 HydrophobicContact CD1-CB 3.7Å; I323-D339 VanDerWaalsContact CD1-CG 3.42Å |
| 324 | R | 98.4 | Very high | 96 | Very high | 56 Ų | 56 | 57.3 Ų | 57.3 | 21% | 0.211 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.7 | 175.4 | 172.2 | 167.9 | 157 | -114.4 | 1.7 | 110.1 | E338 R340 | R324-E338 HydrophobicContact CB-CB 4.32Å; R324-E338 WeakPolarHBondContact CB-OE2 3.36Å; R324-E338 WeakPolarHBondContact CD-OE2 3.23Å; R324-E338 IonicContact CZ-OE2 2.82Å; R324-E338 PolarHBondContact N-O 3.45Å; R324-E338 IonicContact NE-OE2 3.08Å; R324-E338 VanDerWaalsContact NH1-CD 3.27Å; R324-E338 IonicContact NH1-OE1 2.71Å; R324-E338 PolarHBondContact NH1-OE1 3.36Å; R324-E338 IonicContact NH1-OE2 3.98Å; R324-E338 PolarHBondContact NH1-OE2 2.83Å; R324-E338 PolarHBondContact O-N 3.47Å; R324-R340 HydrophobicContact CB-CG 4.49Å |
| 325 | I | 98.5 | Very high | 96 | Very high | 11 Ų | 11 | 55.7 Ų | 55.7 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.8 | 165.9 | -58.3 | 173.6 | 0 | 0 | 0 | 106.8 | L267 I270 I274 G315 V316 A317 V329 | L267-I325 HydrophobicContact CD1-CD1 4.31Å; L267-I325 HydrophobicContact CD1-CG2 4.18Å; I270-I325 HydrophobicContact CG2-CD1 4.22Å; I270-I325 HydrophobicContact CG2-CG1 4.24Å; I274-I325 HydrophobicContact CD1-CD1 3.75Å; I274-I325 HydrophobicContact CD1-CG1 3.73Å; G315-I325 PolarHBondContact O-N 2.92Å; V316-I325 CarbonylContact C-O 3.51Å; V316-I325 WeakPolarHBondContact CA-O 3.08Å; V316-I325 HydrophobicContact CG2-CB 4.37Å; A317-I325 PolarHBondContact N-O 2.94Å; I325-V329 HydrophobicContact CG2-CB 4.14Å; I325-V329 HydrophobicContact CG2-CG1 3.78Å |
| 326 | P | 98.3 | Very high | 96.2 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | trans | -55.3 | 147.4 | 177.9 | -24.4 | 32.4 | 0 | 0 | 0 | 112.2 | T328 V329 G330 Y336 | P326-T328 VanDerWaalsContact C-N 3.3Å; P326-T328 PolarHBondContact O-N 2.94Å; P326-V329 HydrophobicContact CB-CB 4.14Å; P326-V329 HydrophobicContact CB-CG2 3.85Å; P326-V329 HydrophobicContact CG-CB 4.37Å; P326-V329 HydrophobicContact CG-CG2 3.87Å; P326-V329 WeakPolarHBondContact O-CB 3.43Å; P326-V329 PolarHBondContact O-N 3.28Å; P326-V329 VanDerWaalsContact O-N 3.16Å; P326-G330 PolarHBondContact O-N 3.08Å; P326-Y336 WeakPolarHBondContact CD-O 3.44Å; P326-Y336 HydrophobicContact CG-CD2 4.12Å; P326-Y336 HydrophobicContact CG-CE2 3.52Å | ||
| 327 | R | 97.5 | Very high | 96.4 | Very high | 153 Ų | 153 | 55.3 Ų | 55.3 | 58% | 0.577 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -57.3 | -45 | -177.4 | -170.6 | 177.3 | -61.4 | -74.5 | -0.9 | 111.8 | A317 G330 Q331 | A317-R327 HydrophobicContact CB-CB 4.01Å; R327-G330 PolarHBondContact O-N 3.07Å; R327-Q331 WeakPolarHBondContact O-CG 3.26Å; R327-Q331 PolarHBondContact O-N 3.2Å; R327-Q331 VanDerWaalsContact O-N 3.1Å |
| 328 | T | 96.6 | Very high | 96.7 | Very high | 74 Ų | 74 | 54.4 Ų | 54.4 | 45% | 0.454 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 179.4 | 50.1 | 0 | 0 | 0 | 0 | 111.7 | P326 G330 Q331 E332 | P326-T328 VanDerWaalsContact C-N 3.3Å; P326-T328 PolarHBondContact O-N 2.94Å; T328-G330 VanDerWaalsContact C-N 3.34Å; T328-G330 PolarHBondContact O-N 3.12Å; T328-Q331 PolarHBondContact O-N 3.01Å; T328-Q331 VanDerWaalsContact O-N 3.14Å; T328-E332 WeakPolarHBondContact O-CB 3.47Å; T328-E332 WeakPolarHBondContact O-CG 3.48Å; T328-E332 PolarHBondContact O-N 3.15Å |
| 329 | V | 97.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 51.3 Ų | 51.3 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.4 | -42.8 | 173.5 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | I270 I325 P326 Q331 K333 K334 Y336 | I270-V329 HydrophobicContact CD1-CG1 3.75Å; I325-V329 HydrophobicContact CG2-CB 4.14Å; I325-V329 HydrophobicContact CG2-CG1 3.78Å; P326-V329 HydrophobicContact CB-CB 4.14Å; P326-V329 HydrophobicContact CB-CG2 3.85Å; P326-V329 HydrophobicContact CG-CB 4.37Å; P326-V329 HydrophobicContact CG-CG2 3.87Å; P326-V329 WeakPolarHBondContact O-CB 3.43Å; P326-V329 PolarHBondContact O-N 3.28Å; P326-V329 VanDerWaalsContact O-N 3.16Å; V329-Q331 VanDerWaalsContact C-N 3.31Å; V329-Q331 PolarHBondContact O-N 3.11Å; V329-K333 VanDerWaalsContact O-CA 3.31Å; V329-K333 WeakPolarHBondContact O-CA 3.46Å; V329-K333 PolarHBondContact O-N 3.12Å; V329-K334 WeakPolarHBondContact CG1-O 3.27Å; V329-K334 PolarHBondContact O-N 2.86Å; V329-Y336 HydrophobicContact CG2-CD1 4.33Å; V329-Y336 HydrophobicContact CG2-CE1 4.37Å |
| 330 | G | 96.1 | Very high | 97.6 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 23% | 0.227 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -34.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P326 R327 T328 | P326-G330 PolarHBondContact O-N 3.08Å; R327-G330 PolarHBondContact O-N 3.07Å; T328-G330 VanDerWaalsContact C-N 3.34Å; T328-G330 PolarHBondContact O-N 3.12Å |
| 331 | Q | 96.7 | Very high | 98 | Very high | 138 Ų | 138 | 43.5 Ų | 43.5 | 65% | 0.645 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -74.5 | -46.7 | 178.2 | -71.7 | 172.2 | -29.7 | 0 | 0 | 112.4 | R327 T328 V329 K333 | R327-Q331 WeakPolarHBondContact O-CG 3.26Å; R327-Q331 PolarHBondContact O-N 3.2Å; R327-Q331 VanDerWaalsContact O-N 3.1Å; T328-Q331 PolarHBondContact O-N 3.01Å; T328-Q331 VanDerWaalsContact O-N 3.14Å; V329-Q331 VanDerWaalsContact C-N 3.31Å; V329-Q331 PolarHBondContact O-N 3.11Å; Q331-K333 VanDerWaalsContact C-N 3.28Å |
| 332 | E | 97.9 | Very high | 98.1 | Very high | 118 Ų | 118 | 43.5 Ų | 43.5 | 55% | 0.551 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -82.4 | -7.9 | -178.4 | -64.8 | 178 | -174.1 | 0 | 0 | 112.9 | T328 K334 | T328-E332 WeakPolarHBondContact O-CB 3.47Å; T328-E332 WeakPolarHBondContact O-CG 3.48Å; T328-E332 PolarHBondContact O-N 3.15Å; E332-K334 HydrophobicContact CB-CG 4.43Å; E332-K334 PolarHBondContact O-N 3.24Å |
| 333 | K | 98.3 | Very high | 98.2 | Very high | 116 Ų | 116 | 43.5 Ų | 43.5 | 50% | 0.504 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 28.8 | 179.6 | -56.5 | -175.6 | 179.8 | -178.2 | 0 | 114.3 | N265 G266 L267 V329 Q331 | N265-K333 CarbonylContact C-O 3.57Å; N265-K333 VanDerWaalsContact C-O 3.24Å; N265-K333 WeakPolarHBondContact CA-O 3.48Å; G266-K333 PolarHBondContact N-O 3.47Å; L267-K333 HydrophobicContact CB-CB 4.14Å; L267-K333 WeakPolarHBondContact CB-O 3.38Å; L267-K333 HydrophobicContact CD2-CB 4.35Å; L267-K333 HydrophobicContact CD2-CG 4.26Å; L267-K333 PolarHBondContact N-O 3.43Å; V329-K333 VanDerWaalsContact O-CA 3.31Å; V329-K333 WeakPolarHBondContact O-CA 3.46Å; V329-K333 PolarHBondContact O-N 3.12Å; Q331-K333 VanDerWaalsContact C-N 3.28Å |
| 334 | K | 98.6 | Very high | 98.2 | Very high | 68 Ų | 68 | 43.5 Ų | 43.5 | 30% | 0.296 | 20% | 0.203 | S | C | . | . | trans | -158.5 | 158.8 | 175.5 | 65.6 | -169.6 | 175 | -167.6 | 0 | 111.3 | E263 E264 V329 E332 | E263-K334 WeakPolarHBondContact O-CB 3.41Å; E264-K334 IonicContact OE2-NZ 3.65Å; E264-K334 PolarHBondContact OE2-NZ 2.78Å; V329-K334 WeakPolarHBondContact CG1-O 3.27Å; V329-K334 PolarHBondContact O-N 2.86Å; E332-K334 HydrophobicContact CB-CG 4.43Å; E332-K334 PolarHBondContact O-N 3.24Å | ||
| 335 | G | 98.6 | Very high | 98.2 | Very high | 15 Ų | 15 | 41 Ų | 41 | 16% | 0.155 | 19% | 0.194 | C | C | . | . | S | Bend | trans | 137.3 | -115.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S257 M261 | S257-G335 WeakPolarHBondContact CB-O 3.31Å; M261-G335 CarbonylContact C-O 3.58Å; M261-G335 PolarHBondContact O-N 3.11Å |
| 336 | Y | 98.8 | Very high | 98.2 | Very high | 95 Ų | 95 | 40.5 Ų | 40.5 | 37% | 0.373 | 19% | 0.191 | S | C | . | . | trans | -146.8 | 166.9 | -172.6 | 63.5 | -88.7 | 0 | 0 | 0 | 111.2 | N255 F256 P326 V329 | N255-Y336 HydrophobicContact CB-CD2 3.86Å; N255-Y336 HydrophobicContact CB-CE2 4.11Å; N255-Y336 WeakPolarHBondContact OD1-CE2 3.14Å; F256-Y336 WeakPolarHBondContact O-CA 3.38Å; F256-Y336 VanDerWaalsContact O-CB 3.29Å; F256-Y336 WeakPolarHBondContact O-CB 3.2Å; P326-Y336 WeakPolarHBondContact CD-O 3.44Å; P326-Y336 HydrophobicContact CG-CD2 4.12Å; P326-Y336 HydrophobicContact CG-CE2 3.52Å; V329-Y336 HydrophobicContact CG2-CD1 4.33Å; V329-Y336 HydrophobicContact CG2-CE1 4.37Å | ||
| 337 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 161.1 | 164.1 | 68.4 | -92.6 | 0 | 0 | 0 | 110.8 | N255 F256 M261 I270 A273 I274 L277 I323 L355 | N255-F337 CarbonylContact C-O 3.56Å; N255-F337 WeakPolarHBondContact CA-O 3.4Å; F256-F337 HydrophobicContact CB-CE1 4.4Å; F256-F337 HydrophobicContact CB-CZ 4.24Å; F256-F337 AromaticContact CD1-CE1 3.56Å; F256-F337 HydrophobicContact CD1-CE1 3.56Å; F256-F337 AromaticContact CD1-CZ 3.53Å; F256-F337 HydrophobicContact CD1-CZ 3.53Å; F256-F337 HydrophobicContact CE1-CE1 4.31Å; F256-F337 HydrophobicContact CE1-CZ 4.41Å; F256-F337 HydrophobicContact CG-CE1 4.41Å; F256-F337 HydrophobicContact CG-CZ 4.38Å; F256-F337 PolarHBondContact N-O 3.2Å; F256-F337 PolarHBondContact O-N 2.71Å; M261-F337 HydrophobicContact CE-CE1 4.36Å; I270-F337 HydrophobicContact CG2-CB 3.89Å; I270-F337 HydrophobicContact CG2-CD1 3.99Å; I270-F337 HydrophobicContact CG2-CG 4.35Å; A273-F337 HydrophobicContact CB-CE1 4.04Å; I274-F337 HydrophobicContact CD1-CB 4.22Å; I274-F337 HydrophobicContact CD1-CG 4.38Å; I274-F337 HydrophobicContact CG1-CD1 4.49Å; I274-F337 HydrophobicContact CG1-CG 4.36Å; L277-F337 HydrophobicContact CD1-CE2 3.61Å; L277-F337 HydrophobicContact CD1-CZ 3.59Å; I323-F337 HydrophobicContact CD1-CD2 4.48Å; I323-F337 HydrophobicContact CD1-CE2 4.35Å; I323-F337 HydrophobicContact CG2-CB 4.07Å; I323-F337 HydrophobicContact CG2-CD2 3.53Å; I323-F337 HydrophobicContact CG2-CE2 4.28Å; I323-F337 HydrophobicContact CG2-CG 4.1Å; F337-L355 HydrophobicContact CE2-CD2 4.49Å; F337-L355 HydrophobicContact CZ-CD2 4.46Å |
| 338 | E | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 3% | 0.028 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 116.2 | -179.5 | -179.2 | -167 | -105.2 | 0 | 0 | 109.3 | H253 N255 I323 R324 R340 | H253-E338 HydrophobicContact CB-CG 4.05Å; N255-E338 WeakPolarHBondContact OD1-CB 3.4Å; I323-E338 WeakPolarHBondContact CA-O 3.38Å; R324-E338 HydrophobicContact CB-CB 4.32Å; R324-E338 WeakPolarHBondContact CB-OE2 3.36Å; R324-E338 WeakPolarHBondContact CD-OE2 3.23Å; R324-E338 IonicContact CZ-OE2 2.82Å; R324-E338 PolarHBondContact N-O 3.45Å; R324-E338 IonicContact NE-OE2 3.08Å; R324-E338 VanDerWaalsContact NH1-CD 3.27Å; R324-E338 IonicContact NH1-OE1 2.71Å; R324-E338 PolarHBondContact NH1-OE1 3.36Å; R324-E338 IonicContact NH1-OE2 3.98Å; R324-E338 PolarHBondContact NH1-OE2 2.83Å; R324-E338 PolarHBondContact O-N 3.47Å; E338-R340 HydrophobicContact CG-CG 3.92Å; E338-R340 IonicContact OE1-NH1 3.78Å; E338-R340 PolarHBondContact OE1-NH1 3.44Å; E338-R340 WeakPolarHBondContact OE2-CD 3.42Å; E338-R340 VanDerWaalsContact OE2-CG 3.23Å; E338-R340 WeakPolarHBondContact OE2-CG 3.16Å; E338-R340 IonicContact OE2-CZ 3.76Å; E338-R340 IonicContact OE2-NE 3.66Å; E338-R340 IonicContact OE2-NH1 3.66Å; E338-R340 PolarHBondContact OE2-NH1 3.16Å |
| 339 | D | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 110.4 | 168.7 | -168.1 | -18.6 | 0 | 0 | 0 | 109.8 | H253 T254 Y288 I323 R341 P342 | H253-D339 WeakPolarHBondContact CA-O 3.5Å; T254-D339 PolarHBondContact N-O 2.72Å; T254-D339 PolarHBondContact O-N 2.9Å; Y288-D339 WeakPolarHBondContact CE2-OD2 3.45Å; Y288-D339 PolarHBondContact OH-OD2 3.3Å; I323-D339 HydrophobicContact CD1-CB 3.7Å; I323-D339 VanDerWaalsContact CD1-CG 3.42Å; D339-R341 VanDerWaalsContact C-N 3.33Å; D339-R341 VanDerWaalsContact OD1-CB 3.27Å; D339-R341 WeakPolarHBondContact OD1-CB 3.23Å; D339-R341 WeakPolarHBondContact OD1-CG 3.2Å; D339-R341 IonicContact OD1-CZ 3.93Å; D339-R341 PolarHBondContact OD1-N 3.44Å; D339-R341 VanDerWaalsContact OD1-N 3.1Å; D339-R341 IonicContact OD1-NE 2.73Å; D339-R341 PolarHBondContact OD1-NE 3.02Å; D339-R341 IonicContact OD1-NH2 3.81Å; D339-R341 IonicContact OD2-CZ 3.38Å; D339-R341 IonicContact OD2-NE 2.81Å; D339-R341 PolarHBondContact OD2-NE 3.37Å; D339-R341 IonicContact OD2-NH2 2.93Å; D339-R341 PolarHBondContact OD2-NH2 2.72Å; D339-P342 VanDerWaalsContact O-CD 3.31Å; D339-P342 WeakPolarHBondContact O-CD 3.41Å |
| 340 | R | 98.5 | Very high | 98.5 | Very high | 28 Ų | 28 | 30.8 Ų | 30.8 | 11% | 0.106 | 15% | 0.149 | C | C | . | . | trans | -90.5 | 0.2 | -174.5 | -58.7 | 179.5 | 70.3 | 84.4 | 4.2 | 113.1 | H253 R299 R319 S322 R324 E338 | H253-R340 VanDerWaalsContact CD2-CA 3.48Å; H253-R340 WeakPolarHBondContact CD2-CA 3.32Å; H253-R340 PolarHBondContact CE1-NH2 2.68Å; R299-R340 PolarHBondContact NH1-O 3.23Å; R299-R340 PolarHBondContact NH2-O 3.18Å; R319-R340 PolarHBondContact O-NE 3.05Å; S322-R340 PolarHBondContact O-N 2.81Å; R324-R340 HydrophobicContact CB-CG 4.49Å; E338-R340 HydrophobicContact CG-CG 3.92Å; E338-R340 IonicContact OE1-NH1 3.78Å; E338-R340 PolarHBondContact OE1-NH1 3.44Å; E338-R340 WeakPolarHBondContact OE2-CD 3.42Å; E338-R340 VanDerWaalsContact OE2-CG 3.23Å; E338-R340 WeakPolarHBondContact OE2-CG 3.16Å; E338-R340 IonicContact OE2-CZ 3.76Å; E338-R340 IonicContact OE2-NE 3.66Å; E338-R340 IonicContact OE2-NH1 3.66Å; E338-R340 PolarHBondContact OE2-NH1 3.16Å | ||
| 341 | R | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -81.8 | -27.3 | -174.2 | -59 | 173.2 | -74.6 | 178.5 | 11.1 | 115.4 | H281 I285 Y288 N296 R299 L300 D339 S343 | H281-R341 PolarHBondContact ND1-NH1 3.11Å; I285-R341 HydrophobicContact CD1-CB 4.37Å; Y288-R341 HydrophobicContact CD2-CB 3.6Å; Y288-R341 HydrophobicContact CE2-CB 3.7Å; N296-R341 PolarHBondContact ND2-O 3.17Å; R299-R341 VanDerWaalsContact NH2-C 3.33Å; R299-R341 PolarHBondContact NH2-O 3.37Å; L300-R341 HydrophobicContact CD1-CB 4.43Å; D339-R341 VanDerWaalsContact C-N 3.33Å; D339-R341 VanDerWaalsContact OD1-CB 3.27Å; D339-R341 WeakPolarHBondContact OD1-CB 3.23Å; D339-R341 WeakPolarHBondContact OD1-CG 3.2Å; D339-R341 IonicContact OD1-CZ 3.93Å; D339-R341 PolarHBondContact OD1-N 3.44Å; D339-R341 VanDerWaalsContact OD1-N 3.1Å; D339-R341 IonicContact OD1-NE 2.73Å; D339-R341 PolarHBondContact OD1-NE 3.02Å; D339-R341 IonicContact OD1-NH2 3.81Å; D339-R341 IonicContact OD2-CZ 3.38Å; D339-R341 IonicContact OD2-NE 2.81Å; D339-R341 PolarHBondContact OD2-NE 3.37Å; D339-R341 IonicContact OD2-NH2 2.93Å; D339-R341 PolarHBondContact OD2-NH2 2.72Å; R341-S343 PolarHBondContact O-N 3.25Å | ||
| 342 | P | 98.8 | Very high | 98.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -61.5 | 139.2 | -179.6 | -23.2 | 33.5 | 0 | 0 | 0 | 113 | C252 Y288 R299 D339 C346 V351 | C252-P342 HydrophobicContact CB-CB 4.28Å; C252-P342 PolarHBondContact N-O 2.74Å; C252-P342 WeakPolarHBondContact O-CB 3.45Å; Y288-P342 HydrophobicContact CD1-CG 4.4Å; Y288-P342 HydrophobicContact CD2-CB 4.31Å; Y288-P342 HydrophobicContact CD2-CG 3.82Å; Y288-P342 HydrophobicContact CE1-CG 4.41Å; Y288-P342 HydrophobicContact CE2-CG 3.8Å; Y288-P342 HydrophobicContact CG-CB 4.28Å; Y288-P342 HydrophobicContact CG-CG 4.11Å; R299-P342 PolarHBondContact NH2-O 3.14Å; R299-P342 VanDerWaalsContact NH2-O 3.15Å; D339-P342 VanDerWaalsContact O-CD 3.31Å; D339-P342 WeakPolarHBondContact O-CD 3.41Å; P342-C346 HydrophobicContact CB-CB 4.42Å; P342-V351 HydrophobicContact CB-CG1 4.37Å; P342-V351 HydrophobicContact CB-CG2 4.08Å; P342-V351 HydrophobicContact CG-CG1 3.8Å; P342-V351 HydrophobicContact CG-CG2 4.34Å | ||
| 343 | S | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.086 | C | C | . | . | B | Isolated β-bridge | trans | -72.1 | 151.5 | 174 | 178.2 | 0 | 0 | 0 | 0 | 111 | P240 C252 Y288 R341 N345 C346 | P240-S343 VanDerWaalsContact CB-OG 3.23Å; P240-S343 WeakPolarHBondContact CB-OG 3.38Å; P240-S343 VanDerWaalsContact CG-OG 3.3Å; P240-S343 WeakPolarHBondContact CG-OG 3.44Å; C252-S343 WeakPolarHBondContact CB-O 3.32Å; Y288-S343 VanDerWaalsContact O-CB 3.27Å; Y288-S343 WeakPolarHBondContact O-CB 3.41Å; Y288-S343 PolarHBondContact O-N 2.85Å; Y288-S343 VanDerWaalsContact O-N 3.07Å; R341-S343 PolarHBondContact O-N 3.25Å; S343-N345 VanDerWaalsContact CB-OD1 3.24Å; S343-N345 WeakPolarHBondContact CB-OD1 3.23Å; S343-N345 PolarHBondContact O-N 2.87Å; S343-N345 VanDerWaalsContact O-N 3.14Å; S343-N345 PolarHBondContact OG-N 2.87Å; S343-N345 PolarHBondContact OG-OD1 2.93Å; S343-C346 VanDerWaalsContact O-CB 3.3Å; S343-C346 WeakPolarHBondContact O-CB 3.19Å; S343-C346 PolarHBondContact O-N 3.18Å; S343-C346 PolarHBondContact O-SG 2.94Å |
| 344 | A | 98.8 | Very high | 98.8 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.062 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -30.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q135 E136 R222 F238 A250 | Q135-A344 PolarHBondContact NE2-O 2.9Å; Q135-A344 PolarHBondContact OE1-O 3.15Å; E136-A344 WeakPolarHBondContact O-CB 3.39Å; R222-A344 PolarHBondContact NH2-O 3.11Å; R222-A344 VanDerWaalsContact NH2-O 3.12Å; F238-A344 HydrophobicContact CB-CB 4.45Å; F238-A344 CarbonylContact O-C 3.49Å; F238-A344 WeakPolarHBondContact O-CB 3.42Å; A250-A344 HydrophobicContact CB-CB 3.51Å; A250-A344 VanDerWaalsContact O-CB 3.26Å; A250-A344 WeakPolarHBondContact O-CB 3.42Å; A250-A344 PolarHBondContact O-N 3.4Å |
| 345 | N | 98.9 | Very high | 98.8 | Very high | 4 Ų | 4 | 9.7 Ų | 9.7 | 2% | 0.021 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 7 | 178.4 | 72.9 | -21.4 | 0 | 0 | 0 | 114.7 | E38 F238 P290 D295 S343 | E38-N345 WeakPolarHBondContact OE2-CB 3.34Å; E38-N345 PolarHBondContact OE2-ND2 3.31Å; F238-N345 HydrophobicContact CB-CB 4.1Å; F238-N345 WeakPolarHBondContact O-CB 3.38Å; F238-N345 PolarHBondContact O-N 2.81Å; P290-N345 WeakPolarHBondContact CD-O 2.92Å; D295-N345 PolarHBondContact OD2-ND2 2.76Å; S343-N345 VanDerWaalsContact CB-OD1 3.24Å; S343-N345 WeakPolarHBondContact CB-OD1 3.23Å; S343-N345 PolarHBondContact O-N 2.87Å; S343-N345 VanDerWaalsContact O-N 3.14Å; S343-N345 PolarHBondContact OG-N 2.87Å; S343-N345 PolarHBondContact OG-OD1 2.93Å |
| 346 | C | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.041 | C | C | . | . | trans | -59.7 | 150.6 | -177.9 | 69.8 | 0 | 0 | 0 | 0 | 112.4 | R222 Y288 P342 S343 P348 V351 | R222-C346 VanDerWaalsContact CZ-O 3.3Å; R222-C346 PolarHBondContact NH1-O 2.66Å; R222-C346 PolarHBondContact NH2-O 3.45Å; Y288-C346 VanDerWaalsContact O-CB 3.28Å; Y288-C346 WeakPolarHBondContact O-CB 3.37Å; P342-C346 HydrophobicContact CB-CB 4.42Å; S343-C346 VanDerWaalsContact O-CB 3.3Å; S343-C346 WeakPolarHBondContact O-CB 3.19Å; S343-C346 PolarHBondContact O-N 3.18Å; S343-C346 PolarHBondContact O-SG 2.94Å; C346-P348 WeakPolarHBondContact O-CD 3.38Å; C346-V351 HydrophobicContact CB-CG2 3.72Å | ||
| 347 | D | 98.9 | Very high | 98.8 | Very high | 7 Ų | 7 | 5.1 Ų | 5.1 | 4% | 0.037 | 3% | 0.026 | C | C | . | . | trans | -76.7 | 116.1 | 162.5 | -173.1 | -19.7 | 0 | 0 | 0 | 109.2 | L113 W219 F349 S350 V351 | L113-D347 HydrophobicContact CD1-CB 4.23Å; W219-D347 HydrophobicContact CZ2-CB 4.06Å; W219-D347 PolarHBondContact NE1-OD1 2.91Å; D347-F349 PolarHBondContact O-N 3Å; D347-F349 WeakPolarHBondContact OD1-CB 3.05Å; D347-F349 VanDerWaalsContact OD1-CD2 3.25Å; D347-F349 WeakPolarHBondContact OD1-CD2 3.28Å; D347-F349 PolarHBondContact OD1-N 3.47Å; D347-S350 WeakPolarHBondContact O-CB 3.3Å; D347-S350 PolarHBondContact O-N 3.35Å; D347-V351 PolarHBondContact O-N 3.42Å; D347-V351 VanDerWaalsContact O-N 3.08Å | ||
| 348 | P | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 5.2 Ų | 5.2 | 0% | 0 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -58 | -27.8 | 176.4 | 24.8 | -37 | 0 | 0 | 0 | 113.9 | M133 L218 W219 C346 T352 | M133-P348 HydrophobicContact CE-CB 4Å; M133-P348 HydrophobicContact SD-CB 3.66Å; L218-P348 HydrophobicContact CB-CB 4.39Å; L218-P348 HydrophobicContact CB-CG 4.18Å; L218-P348 HydrophobicContact CD2-CB 3.92Å; L218-P348 HydrophobicContact CD2-CG 4.05Å; L218-P348 HydrophobicContact CG-CG 4.39Å; W219-P348 HydrophobicContact CG-CG 4.28Å; C346-P348 WeakPolarHBondContact O-CD 3.38Å; P348-T352 WeakPolarHBondContact O-CB 3.44Å; P348-T352 VanDerWaalsContact O-CG2 3.3Å; P348-T352 WeakPolarHBondContact O-CG2 3.22Å; P348-T352 PolarHBondContact O-N 3.03Å; P348-T352 PolarHBondContact O-OG1 3.47Å |
| 349 | F | 98.9 | Very high | 98.8 | Very high | 3 Ų | 3 | 5 Ų | 5 | 1% | 0.013 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -65.3 | -43.6 | 173.9 | -61.8 | -56.5 | 0 | 0 | 0 | 111.1 | I33 L113 R114 C117 I212 G215 D216 W219 D347 T352 E353 | I33-F349 HydrophobicContact CD1-CD2 4.46Å; I33-F349 HydrophobicContact CD1-CE2 4.24Å; L113-F349 HydrophobicContact CB-CB 4.09Å; R114-F349 HydrophobicContact CB-CD1 4.16Å; R114-F349 HydrophobicContact CB-CD2 3.88Å; R114-F349 HydrophobicContact CB-CE1 4.04Å; R114-F349 HydrophobicContact CB-CE2 3.75Å; R114-F349 HydrophobicContact CB-CG 4.09Å; R114-F349 HydrophobicContact CB-CZ 3.85Å; R114-F349 HydrophobicContact CG-CD1 4.09Å; R114-F349 HydrophobicContact CG-CE1 3.64Å; R114-F349 HydrophobicContact CG-CE2 4.12Å; R114-F349 HydrophobicContact CG-CZ 3.67Å; C117-F349 HydrophobicContact CB-CB 4.06Å; C117-F349 HydrophobicContact CB-CD1 4.5Å; C117-F349 PolarHBondContact SG-O 3.4Å; C117-F349 VanDerWaalsContact SG-O 3.39Å; I212-F349 HydrophobicContact CD1-CD1 3.75Å; I212-F349 HydrophobicContact CD1-CE1 3.82Å; I212-F349 HydrophobicContact CG1-CE1 4.3Å; G215-F349 VanDerWaalsContact CA-CE1 3.45Å; D216-F349 WeakPolarHBondContact OD1-CZ 3.2Å; W219-F349 AromaticContact CD1-CD2 3.75Å; W219-F349 AromaticContact CD1-CE2 3.25Å; W219-F349 AromaticContact CD1-CZ 3.85Å; W219-F349 HydrophobicContact CG-CE2 4.4Å; W219-F349 AromaticContact NE1-CD2 3.5Å; W219-F349 AromaticContact NE1-CE2 3.48Å; D347-F349 PolarHBondContact O-N 3Å; D347-F349 WeakPolarHBondContact OD1-CB 3.05Å; D347-F349 VanDerWaalsContact OD1-CD2 3.25Å; D347-F349 WeakPolarHBondContact OD1-CD2 3.28Å; D347-F349 PolarHBondContact OD1-N 3.47Å; F349-T352 PolarHBondContact O-OG1 2.79Å; F349-E353 WeakPolarHBondContact O-CB 3.45Å; F349-E353 PolarHBondContact O-N 2.68Å |
| 350 | S | 98.9 | Very high | 98.8 | Very high | 26 Ų | 26 | 6.1 Ų | 6.1 | 18% | 0.182 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -61.2 | -48.9 | 175.5 | -178 | 0 | 0 | 0 | 0 | 111.7 | A287 D347 A354 | A287-S350 PolarHBondContact O-OG 3.24Å; D347-S350 WeakPolarHBondContact O-CB 3.3Å; D347-S350 PolarHBondContact O-N 3.35Å; S350-A354 WeakPolarHBondContact O-CB 3.41Å; S350-A354 PolarHBondContact O-N 3.23Å |
| 351 | V | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -62.9 | -49.9 | -177.6 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | M133 T254 Y288 P342 C346 D347 A354 L355 | M133-V351 HydrophobicContact CE-CB 3.99Å; M133-V351 HydrophobicContact CE-CG1 3.82Å; T254-V351 HydrophobicContact CG2-CG1 4.25Å; Y288-V351 HydrophobicContact CD1-CB 4.37Å; Y288-V351 HydrophobicContact CD1-CG1 4.32Å; Y288-V351 HydrophobicContact CD1-CG2 3.82Å; Y288-V351 HydrophobicContact CE1-CB 4.23Å; Y288-V351 HydrophobicContact CE1-CG1 3.85Å; Y288-V351 HydrophobicContact CE1-CG2 4.17Å; P342-V351 HydrophobicContact CB-CG1 4.37Å; P342-V351 HydrophobicContact CB-CG2 4.08Å; P342-V351 HydrophobicContact CG-CG1 3.8Å; P342-V351 HydrophobicContact CG-CG2 4.34Å; C346-V351 HydrophobicContact CB-CG2 3.72Å; D347-V351 PolarHBondContact O-N 3.42Å; D347-V351 VanDerWaalsContact O-N 3.08Å; V351-A354 PolarHBondContact O-N 3.38Å; V351-L355 HydrophobicContact CG1-CD1 4.36Å; V351-L355 WeakPolarHBondContact O-CG 3.44Å; V351-L355 PolarHBondContact O-N 2.97Å; V351-L355 VanDerWaalsContact O-N 3.08Å |
| 352 | T | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.8 | -40 | -178.1 | 55.4 | 0 | 0 | 0 | 0 | 111.8 | M121 F131 M133 M214 P348 F349 L355 I356 | M121-T352 VanDerWaalsContact CE-CB 3.46Å; F131-T352 HydrophobicContact CB-CG2 4.42Å; F131-T352 HydrophobicContact CD1-CG2 3.75Å; F131-T352 HydrophobicContact CD2-CG2 4Å; F131-T352 HydrophobicContact CE1-CG2 3.88Å; F131-T352 HydrophobicContact CE2-CG2 4.13Å; F131-T352 HydrophobicContact CG-CG2 3.79Å; F131-T352 HydrophobicContact CZ-CG2 4.07Å; M133-T352 HydrophobicContact CE-CG2 3.58Å; M214-T352 HydrophobicContact CB-CG2 4.19Å; M214-T352 HydrophobicContact CG-CG2 3.95Å; P348-T352 WeakPolarHBondContact O-CB 3.44Å; P348-T352 VanDerWaalsContact O-CG2 3.3Å; P348-T352 WeakPolarHBondContact O-CG2 3.22Å; P348-T352 PolarHBondContact O-N 3.03Å; P348-T352 PolarHBondContact O-OG1 3.47Å; F349-T352 PolarHBondContact O-OG1 2.79Å; T352-L355 PolarHBondContact O-N 3.19Å; T352-I356 WeakPolarHBondContact O-CG1 3.22Å; T352-I356 PolarHBondContact O-N 3.4Å; T352-I356 VanDerWaalsContact O-N 3.12Å |
| 353 | E | 98.9 | Very high | 98.7 | Very high | 18 Ų | 18 | 11.4 Ų | 11.4 | 8% | 0.084 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.6 | -48 | 174.1 | -172.8 | 179.1 | 151.5 | 0 | 0 | 111.1 | T116 C117 I120 F349 L355 I356 R357 | T116-E353 WeakPolarHBondContact CB-OE2 3.46Å; T116-E353 PolarHBondContact OG1-OE2 2.8Å; C117-E353 WeakPolarHBondContact CA-OE2 3.32Å; C117-E353 HydrophobicContact CB-CB 4.04Å; C117-E353 HydrophobicContact CB-CG 4.48Å; C117-E353 WeakPolarHBondContact CB-OE2 3.49Å; C117-E353 PolarHBondContact N-OE2 3.47Å; I120-E353 HydrophobicContact CB-CG 4.16Å; I120-E353 HydrophobicContact CG1-CG 3.99Å; I120-E353 HydrophobicContact CG2-CG 4.22Å; F349-E353 WeakPolarHBondContact O-CB 3.45Å; F349-E353 PolarHBondContact O-N 2.68Å; E353-L355 VanDerWaalsContact C-N 3.33Å; E353-L355 PolarHBondContact O-N 2.84Å; E353-I356 PolarHBondContact O-N 3.5Å; E353-R357 HydrophobicContact CG-CG 4.33Å; E353-R357 WeakPolarHBondContact O-CG 3.45Å; E353-R357 PolarHBondContact O-N 3.31Å; E353-R357 IonicContact OE1-CZ 3.81Å; E353-R357 IonicContact OE1-NE 3.98Å; E353-R357 PolarHBondContact OE1-NE 3.07Å; E353-R357 IonicContact OE1-NH2 2.9Å; E353-R357 PolarHBondContact OE1-NH2 3.27Å |
| 354 | A | 98.9 | Very high | 98.7 | Very high | 2 Ų | 2 | 16 Ų | 16 | 2% | 0.017 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.3 | -41.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y283 H284 A287 Y288 S350 V351 T358 | Y283-A354 HydrophobicContact CE1-CB 3.89Å; H284-A354 PolarHBondContact CE1-O 3.44Å; H284-A354 VanDerWaalsContact CE1-O 3.31Å; A287-A354 HydrophobicContact CB-CB 3.99Å; Y288-A354 HydrophobicContact CE1-CB 4.46Å; S350-A354 WeakPolarHBondContact O-CB 3.41Å; S350-A354 PolarHBondContact O-N 3.23Å; V351-A354 PolarHBondContact O-N 3.38Å; A354-T358 PolarHBondContact O-N 3.27Å; A354-T358 VanDerWaalsContact O-N 3.13Å; A354-T358 PolarHBondContact O-OG1 2.63Å |
| 355 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.8 | -45.8 | 174.9 | -76.3 | 171.6 | 0 | 0 | 0 | 111.9 | F131 T254 F256 L277 F337 V351 T352 E353 C359 | F131-L355 HydrophobicContact CD1-CD1 4.38Å; F131-L355 HydrophobicContact CE1-CB 4.32Å; F131-L355 HydrophobicContact CE1-CD1 3.98Å; T254-L355 HydrophobicContact CG2-CD1 3.72Å; F256-L355 HydrophobicContact CB-CD1 4.3Å; L277-L355 HydrophobicContact CD1-CD2 4.31Å; L277-L355 HydrophobicContact CD2-CD2 3.98Å; F337-L355 HydrophobicContact CE2-CD2 4.49Å; F337-L355 HydrophobicContact CZ-CD2 4.46Å; V351-L355 HydrophobicContact CG1-CD1 4.36Å; V351-L355 WeakPolarHBondContact O-CG 3.44Å; V351-L355 PolarHBondContact O-N 2.97Å; V351-L355 VanDerWaalsContact O-N 3.08Å; T352-L355 PolarHBondContact O-N 3.19Å; E353-L355 VanDerWaalsContact C-N 3.33Å; E353-L355 PolarHBondContact O-N 2.84Å; L355-C359 WeakPolarHBondContact O-CB 3.24Å; L355-C359 PolarHBondContact O-N 3.25Å; L355-C359 PolarHBondContact O-SG 3.4Å |
| 356 | I | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.2 | -47.8 | 179 | -63.9 | -54.9 | 0 | 0 | 0 | 111.5 | I120 M121 V124 P129 F131 F256 T352 E353 T358 C359 L360 L361 | I120-I356 HydrophobicContact CG2-CB 3.89Å; I120-I356 HydrophobicContact CG2-CG2 3.48Å; I120-I356 VanDerWaalsContact CG2-CG2 3.48Å; M121-I356 HydrophobicContact CE-CG1 3.68Å; M121-I356 HydrophobicContact SD-CD1 4.32Å; M121-I356 HydrophobicContact SD-CG1 3.74Å; V124-I356 HydrophobicContact CB-CG2 4.37Å; V124-I356 HydrophobicContact CG1-CG2 3.88Å; V124-I356 HydrophobicContact CG2-CD1 4.21Å; V124-I356 HydrophobicContact CG2-CG1 4.45Å; V124-I356 HydrophobicContact CG2-CG2 3.62Å; P129-I356 HydrophobicContact CB-CD1 3.71Å; P129-I356 HydrophobicContact CG-CD1 4.22Å; F131-I356 HydrophobicContact CE2-CD1 4.43Å; F131-I356 HydrophobicContact CZ-CD1 3.73Å; F131-I356 HydrophobicContact CZ-CG1 4Å; F256-I356 HydrophobicContact CE2-CD1 3.89Å; F256-I356 HydrophobicContact CZ-CD1 3.88Å; T352-I356 WeakPolarHBondContact O-CG1 3.22Å; T352-I356 PolarHBondContact O-N 3.4Å; T352-I356 VanDerWaalsContact O-N 3.12Å; E353-I356 PolarHBondContact O-N 3.5Å; I356-T358 VanDerWaalsContact C-N 3.32Å; I356-T358 PolarHBondContact O-N 3.22Å; I356-C359 PolarHBondContact O-N 2.61Å; I356-L360 HydrophobicContact CD1-CD1 3.71Å; I356-L360 HydrophobicContact CD1-CG 4.33Å; I356-L360 HydrophobicContact CG2-CB 4.39Å; I356-L360 HydrophobicContact CG2-CD1 4.47Å; I356-L360 WeakPolarHBondContact O-CA 2.95Å; I356-L360 WeakPolarHBondContact O-CB 3.4Å; I356-L360 PolarHBondContact O-N 3.25Å; I356-L361 HydrophobicContact CG2-CG 4.39Å; I356-L361 PolarHBondContact O-N 3.31Å; I356-L361 VanDerWaalsContact O-N 3.13Å |
| 357 | R | 98.7 | Very high | 98.2 | Very high | 14 Ų | 14 | 30 Ų | 30 | 5% | 0.053 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -56.2 | -47.2 | -179.3 | -72.2 | -175.9 | 176.4 | -89.1 | 7.9 | 111.9 | I120 E353 L361 N362 E363 F369 | I120-R357 HydrophobicContact CG2-CG 4.25Å; E353-R357 HydrophobicContact CG-CG 4.33Å; E353-R357 WeakPolarHBondContact O-CG 3.45Å; E353-R357 PolarHBondContact O-N 3.31Å; E353-R357 IonicContact OE1-CZ 3.81Å; E353-R357 IonicContact OE1-NE 3.98Å; E353-R357 PolarHBondContact OE1-NE 3.07Å; E353-R357 IonicContact OE1-NH2 2.9Å; E353-R357 PolarHBondContact OE1-NH2 3.27Å; R357-L361 HydrophobicContact CG-CD1 4.48Å; R357-L361 CarbonylContact O-C 3.57Å; R357-L361 WeakPolarHBondContact O-CB 3.35Å; R357-L361 PolarHBondContact O-N 3.29Å; R357-N362 PolarHBondContact O-N 2.94Å; R357-E363 HydrophobicContact CB-CB 4.49Å; R357-E363 HydrophobicContact CB-CG 4.28Å; R357-E363 VanDerWaalsContact CG-OE1 3.28Å; R357-E363 WeakPolarHBondContact CG-OE1 3.49Å; R357-E363 IonicContact CZ-OE1 3.27Å; R357-E363 IonicContact NH1-OE1 2.68Å; R357-E363 PolarHBondContact NH1-OE1 3.17Å; R357-E363 IonicContact NH1-OE2 3.35Å; R357-E363 PolarHBondContact NH1-OE2 3.36Å; R357-E363 PolarHBondContact O-N 3.37Å; R357-E363 VanDerWaalsContact O-N 3.09Å; R357-F369 PolarHBondContact NH1-O 3.17Å |
| 358 | T | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.006 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.2 | -50.3 | 179.4 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | K276 L277 R280 H284 A354 I356 | K276-T358 HydrophobicContact CB-CG2 3.95Å; K276-T358 WeakPolarHBondContact CD-O 3.19Å; L277-T358 HydrophobicContact CD2-CG2 3.76Å; L277-T358 HydrophobicContact CG-CG2 4.23Å; R280-T358 HydrophobicContact CB-CG2 4.31Å; R280-T358 WeakPolarHBondContact CD-OG1 3.46Å; R280-T358 HydrophobicContact CG-CG2 4.47Å; R280-T358 PolarHBondContact NE-OG1 3.26Å; H284-T358 VanDerWaalsContact NE2-CB 3.34Å; H284-T358 WeakPolarHBondContact NE2-CB 3.25Å; H284-T358 PolarHBondContact NE2-OG1 2.66Å; A354-T358 PolarHBondContact O-N 3.27Å; A354-T358 VanDerWaalsContact O-N 3.13Å; A354-T358 PolarHBondContact O-OG1 2.63Å; I356-T358 VanDerWaalsContact C-N 3.32Å; I356-T358 PolarHBondContact O-N 3.22Å |
| 359 | C | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -79.8 | -37.7 | -167.8 | -59.6 | 0 | 0 | 0 | 0 | 112.8 | F256 A273 K276 L355 I356 | F256-C359 HydrophobicContact CE1-CB 3.93Å; A273-C359 HydrophobicContact CB-CB 4Å; K276-C359 PolarHBondContact NZ-O 2.9Å; L355-C359 WeakPolarHBondContact O-CB 3.24Å; L355-C359 PolarHBondContact O-N 3.25Å; L355-C359 PolarHBondContact O-SG 3.4Å; I356-C359 PolarHBondContact O-N 2.61Å |
| 360 | L | 98.5 | Very high | 97.7 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 12% | 0.12 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -34.3 | -170.2 | -52.8 | -169.4 | 0 | 0 | 0 | 113.5 | V124 Q127 F256 T258 I356 | V124-L360 HydrophobicContact CB-CD1 4.05Å; V124-L360 HydrophobicContact CG1-CB 4.12Å; V124-L360 HydrophobicContact CG1-CD1 4.24Å; V124-L360 HydrophobicContact CG2-CD1 4.17Å; Q127-L360 HydrophobicContact CB-CD1 4.44Å; F256-L360 HydrophobicContact CZ-CD1 4.26Å; F256-L360 HydrophobicContact CZ-CD2 4.41Å; F256-L360 HydrophobicContact CZ-CG 4.32Å; T258-L360 HydrophobicContact CG2-CD1 3.73Å; T258-L360 HydrophobicContact CG2-CD2 3.59Å; T258-L360 HydrophobicContact CG2-CG 4.28Å; I356-L360 HydrophobicContact CD1-CD1 3.71Å; I356-L360 HydrophobicContact CD1-CG 4.33Å; I356-L360 HydrophobicContact CG2-CB 4.39Å; I356-L360 HydrophobicContact CG2-CD1 4.47Å; I356-L360 WeakPolarHBondContact O-CA 2.95Å; I356-L360 WeakPolarHBondContact O-CB 3.4Å; I356-L360 PolarHBondContact O-N 3.25Å |
| 361 | L | 98.3 | Very high | 97.4 | Very high | 38 Ų | 38 | 49 Ų | 49 | 20% | 0.199 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -91.6 | -6.1 | 177.9 | -56.1 | -177.4 | 0 | 0 | 0 | 113.4 | I120 M123 V124 I356 R357 E363 Y371 | I120-L361 HydrophobicContact CD1-CD1 4.08Å; I120-L361 HydrophobicContact CG2-CD1 4.12Å; M123-L361 HydrophobicContact CE-CD1 4.19Å; M123-L361 HydrophobicContact CE-CD2 4.23Å; V124-L361 HydrophobicContact CG1-CD2 3.72Å; V124-L361 HydrophobicContact CG1-CG 4.39Å; I356-L361 HydrophobicContact CG2-CG 4.39Å; I356-L361 PolarHBondContact O-N 3.31Å; I356-L361 VanDerWaalsContact O-N 3.13Å; R357-L361 HydrophobicContact CG-CD1 4.48Å; R357-L361 CarbonylContact O-C 3.57Å; R357-L361 WeakPolarHBondContact O-CB 3.35Å; R357-L361 PolarHBondContact O-N 3.29Å; L361-E363 HydrophobicContact CB-CG 4.13Å; L361-E363 PolarHBondContact O-N 3.33Å; L361-Y371 HydrophobicContact CD1-CE2 3.87Å |
| 362 | N | 97.8 | Very high | 96.6 | Very high | 96 Ų | 96 | 58.7 Ų | 58.7 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | trans | 56.8 | 28.7 | 178.7 | -46.8 | -70.6 | 0 | 0 | 0 | 113.3 | K276 R357 | K276-N362 VanDerWaalsContact CE-OD1 3.25Å; K276-N362 WeakPolarHBondContact CE-OD1 3.4Å; K276-N362 PolarHBondContact NZ-OD1 3.08Å; R357-N362 PolarHBondContact O-N 2.94Å | ||
| 363 | E | 98.3 | Very high | 94.8 | Very high | 5 Ų | 5 | 68 Ų | 68 | 2% | 0.023 | 35% | 0.35 | C | S | . | . | trans | -62.1 | 144.2 | 176.3 | -64.7 | -171.8 | -150.8 | 0 | 0 | 110.3 | R280 R357 L361 F369 Y371 | R280-E363 WeakPolarHBondContact CD-O 3.48Å; R280-E363 PolarHBondContact NE-O 2.99Å; R357-E363 HydrophobicContact CB-CB 4.49Å; R357-E363 HydrophobicContact CB-CG 4.28Å; R357-E363 VanDerWaalsContact CG-OE1 3.28Å; R357-E363 WeakPolarHBondContact CG-OE1 3.49Å; R357-E363 IonicContact CZ-OE1 3.27Å; R357-E363 IonicContact NH1-OE1 2.68Å; R357-E363 PolarHBondContact NH1-OE1 3.17Å; R357-E363 IonicContact NH1-OE2 3.35Å; R357-E363 PolarHBondContact NH1-OE2 3.36Å; R357-E363 PolarHBondContact O-N 3.37Å; R357-E363 VanDerWaalsContact O-N 3.09Å; L361-E363 HydrophobicContact CB-CG 4.13Å; L361-E363 PolarHBondContact O-N 3.33Å; E363-F369 HydrophobicContact CB-CD2 3.82Å; E363-F369 HydrophobicContact CB-CE2 4.16Å; E363-F369 HydrophobicContact CG-CB 4.4Å; E363-F369 HydrophobicContact CG-CD2 3.57Å; E363-F369 HydrophobicContact CG-CE2 4.31Å; E363-F369 HydrophobicContact CG-CG 4.38Å; E363-F369 PolarHBondContact OE2-N 3.2Å; E363-Y371 WeakPolarHBondContact OE1-CE2 3.44Å; E363-Y371 PolarHBondContact OE1-OH 2.96Å; E363-Y371 VanDerWaalsContact OE1-OH 3.09Å | ||
| 364 | T | 97.2 | Very high | 94.6 | Very high | 96 Ų | 96 | 70.6 Ų | 70.6 | 59% | 0.589 | 36% | 0.363 | S | S | * | . | trans | -132.5 | 171.8 | 172.8 | 57.4 | 0 | 0 | 0 | 0 | 109.7 | F369 | T364-F369 WeakPolarHBondContact O-CE2 3.5Š| ||
| 365 | G | 96.3 | Very high | 94.4 | Very high | 50 Ų | 50 | 74.2 Ų | 74.2 | 52% | 0.515 | 38% | 0.381 | S | S | . | . | S | Bend | trans | 88.7 | -172.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R280 | R280-G365 PolarHBondContact NH1-O 3.4Š|
| 366 | D | 95 | Very high | 94.1 | Very high | 105 Ų | 105 | 78.3 Ų | 78.3 | 56% | 0.561 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -94.1 | -16.6 | -170.4 | -79.8 | -56.6 | 0 | 0 | 0 | 115.5 | Y283 R286 | Y283-D366 WeakPolarHBondContact CD2-O 3.48Å; R286-D366 IonicContact CZ-OD1 3.63Å; R286-D366 IonicContact NH1-OD1 3.47Å; R286-D366 PolarHBondContact NH1-OD1 3.39Å; R286-D366 PolarHBondContact NH2-O 2.98Å; R286-D366 IonicContact NH2-OD1 3.51Å; R286-D366 PolarHBondContact NH2-OD1 3.05Å |
| 367 | E | 95.4 | Very high | 93.9 | Very high | 142 Ų | 142 | 82.9 Ų | 82.9 | 66% | 0.664 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -123.4 | 150.8 | -173.7 | -68.3 | -63.4 | 151.1 | 0 | 0 | 110.9 | ||
| 368 | P | 96.6 | Very high | 93.6 | Very high | 54 Ų | 54 | 87.2 Ų | 87.2 | 35% | 0.351 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 138.8 | 177.1 | 27.6 | -32.3 | 0 | 0 | 0 | 111.9 | ||
| 369 | F | 96.3 | Very high | 93.2 | Very high | 110 Ų | 110 | 92.9 Ų | 92.9 | 48% | 0.482 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 140.7 | 174.1 | -78.4 | -90.7 | 0 | 0 | 0 | 111.6 | R357 E363 T364 Y371 | R357-F369 PolarHBondContact NH1-O 3.17Å; E363-F369 HydrophobicContact CB-CD2 3.82Å; E363-F369 HydrophobicContact CB-CE2 4.16Å; E363-F369 HydrophobicContact CG-CB 4.4Å; E363-F369 HydrophobicContact CG-CD2 3.57Å; E363-F369 HydrophobicContact CG-CE2 4.31Å; E363-F369 HydrophobicContact CG-CG 4.38Å; E363-F369 PolarHBondContact OE2-N 3.2Å; T364-F369 WeakPolarHBondContact O-CE2 3.5Å; F369-Y371 HydrophobicContact CB-CE2 4.15Å |
| 370 | Q | 94.3 | Very high | 92.8 | Very high | 195 Ų | 195 | 99.4 Ų | 99.4 | 91% | 0.911 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -90.1 | 118.8 | 171.7 | -65.7 | -171.6 | 3.7 | 0 | 0 | 110.4 | ||
| 371 | Y | 92.2 | Very high | 92.4 | Very high | 76 Ų | 76 | 105.2 Ų | 105.2 | 30% | 0.298 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 144.2 | 174.2 | -61.2 | -81.2 | 0 | 0 | 0 | 110.9 | R119 I120 M123 L361 E363 F369 | R119-Y371 PolarHBondContact NH2-O 2.84Å; I120-Y371 HydrophobicContact CD1-CD2 3.82Å; I120-Y371 HydrophobicContact CD1-CE2 3.92Å; M123-Y371 HydrophobicContact CE-CD1 3.65Å; M123-Y371 HydrophobicContact CE-CD2 3.95Å; M123-Y371 HydrophobicContact CE-CE1 3.84Å; M123-Y371 HydrophobicContact CE-CE2 4.12Å; M123-Y371 HydrophobicContact CE-CG 3.7Å; M123-Y371 HydrophobicContact SD-CD2 4.04Å; M123-Y371 HydrophobicContact SD-CG 4.02Å; L361-Y371 HydrophobicContact CD1-CE2 3.87Å; E363-Y371 WeakPolarHBondContact OE1-CE2 3.44Å; E363-Y371 PolarHBondContact OE1-OH 2.96Å; E363-Y371 VanDerWaalsContact OE1-OH 3.09Å; F369-Y371 HydrophobicContact CB-CE2 4.15Å |
| 372 | K | 82.3 | Confident | 91.9 | Very high | 204 Ų | 204 | 110.8 Ų | 110.8 | 89% | 0.887 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 143.3 | 167.6 | -68.7 | -164.2 | 176.4 | -173.8 | 0 | 109.5 | ||
| 373 | N | 60.8 | Low | 91.3 | Very high | 197 Ų | 197 | 112.2 Ų | 112.2 | 100% | 1.053 | 58% | 0.576 | S | S | * | * | trans | -66.7 | 0 | 169.4 | -77.1 | -13 | 0 | 0 | 0 | 111.4 | R119 | R119-N373 PolarHBondContact NE-OD1 2.9Å; R119-N373 PolarHBondContact NH2-OD1 3.18Å |
Retrieved 373 of 373 residues in 133.6 ms
(Link to these results)