| 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 | 56.8 | Low | 79.5 | Confident | 131 Ų | 131 | 87 Ų | 87 | 65% | 0.645 | 43% | 0.43 | S | S | * | . | 0 | -66.8 | 0 | -78.1 | -161.1 | -82.7 | 0 | 0 | 114 | S3 E4 F94 T248 | M1-S3 PolarHBondContact O-N 2.97Å; M1-S3 VanDerWaalsContact O-N 3.16Å; M1-E4 PolarHBondContact O-N 2.68Å; M1-F94 HydrophobicContact CG-CB 4.01Å; M1-F94 HydrophobicContact CG-CG 4.48Å; M1-F94 HydrophobicContact SD-CB 4.3Å; M1-T248 PolarHBondContact N-O 2.89Å | |||
| 2 | A | 57.4 | Low | 80.9 | Confident | 80 Ų | 80 | 92.4 Ų | 92.4 | 66% | 0.661 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -20.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 3 | S | 71.3 | Confident | 82 | Confident | 72 Ų | 72 | 85.5 Ų | 85.5 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -38.4 | 176.7 | 53.1 | 0 | 0 | 0 | 0 | 113.3 | M1 K6 | M1-S3 PolarHBondContact O-N 2.97Å; M1-S3 VanDerWaalsContact O-N 3.16Å; S3-K6 PolarHBondContact O-N 3.05Å |
| 4 | E | 76.1 | Confident | 83.1 | Confident | 1 Ų | 1 | 80.4 Ų | 80.4 | 1% | 0.005 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -65.8 | -42.8 | -179.6 | -66.4 | -165.7 | 126.5 | 0 | 0 | 111.9 | M1 K6 K7 F10 S92 G250 Y255 | M1-E4 PolarHBondContact O-N 2.68Å; E4-K6 PolarHBondContact O-N 3.1Å; E4-K6 VanDerWaalsContact O-N 3.1Å; E4-K7 WeakPolarHBondContact O-CB 3.45Å; E4-K7 PolarHBondContact O-N 3.3Å; E4-F10 HydrophobicContact CB-CD2 4.24Å; E4-F10 WeakPolarHBondContact O-CB 3.43Å; E4-S92 PolarHBondContact OE1-OG 3.4Å; E4-S92 WeakPolarHBondContact OE2-CB 3.49Å; E4-S92 PolarHBondContact OE2-OG 3.11Å; E4-G250 WeakPolarHBondContact OE1-CA 3.42Å; E4-Y255 HydrophobicContact CG-CE2 4.44Å; E4-Y255 PolarHBondContact OE1-OH 3.39Å |
| 5 | F | 79.5 | Confident | 84.1 | Confident | 109 Ų | 109 | 81.1 Ų | 81.1 | 48% | 0.478 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -55.1 | -31 | 179 | -178.9 | -88.8 | 0 | 0 | 0 | 113.4 | K7 W11 F94 | F5-K7 VanDerWaalsContact C-N 3.32Å; F5-W11 HydrophobicContact CD2-CH2 4.32Å; F5-W11 AromaticContact CD2-CZ2 3.57Å; F5-W11 HydrophobicContact CD2-CZ2 3.57Å; F5-W11 AromaticContact CE2-CH2 3.93Å; F5-W11 HydrophobicContact CE2-CH2 3.93Å; F5-W11 AromaticContact CE2-CZ2 3.35Å; F5-W11 HydrophobicContact CE2-CZ2 3.35Å; F5-W11 HydrophobicContact CG-CZ2 4.32Å; F5-W11 AromaticContact CZ-CZ2 3.86Å; F5-W11 HydrophobicContact CZ-CZ2 3.86Å; F5-W11 PolarHBondContact O-NE1 3.16Å; F5-F94 HydrophobicContact CB-CE1 4.2Å; F5-F94 HydrophobicContact CD2-CE1 4.25Å; F5-F94 AromaticContact CD2-CZ 3.94Å; F5-F94 HydrophobicContact CD2-CZ 3.94Å |
| 6 | K | 81.8 | Confident | 85 | Confident | 177 Ų | 177 | 76.7 Ų | 76.7 | 77% | 0.77 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -80.8 | -12.2 | -178.9 | -65.6 | -176.8 | -179.5 | -176.1 | 0 | 113.1 | S3 E4 | S3-K6 PolarHBondContact O-N 3.05Å; E4-K6 PolarHBondContact O-N 3.1Å; E4-K6 VanDerWaalsContact O-N 3.1Å |
| 7 | K | 86.8 | Confident | 85.8 | Confident | 75 Ų | 75 | 72.2 Ų | 72.2 | 33% | 0.326 | 36% | 0.355 | S | S | . | . | trans | -83.9 | 132.6 | -175 | -62.9 | -174.4 | -179.1 | -174.1 | 0 | 110.9 | E4 F5 M9 F10 Y255 | E4-K7 WeakPolarHBondContact O-CB 3.45Å; E4-K7 PolarHBondContact O-N 3.3Å; F5-K7 VanDerWaalsContact C-N 3.32Å; K7-M9 VanDerWaalsContact C-N 3.31Å; K7-M9 PolarHBondContact O-N 2.82Å; K7-F10 HydrophobicContact CB-CB 4.36Å; K7-F10 WeakPolarHBondContact O-CB 3.36Å; K7-F10 PolarHBondContact O-N 2.96Å; K7-Y255 HydrophobicContact CB-CD1 4.47Å; K7-Y255 HydrophobicContact CB-CE1 4.27Å; K7-Y255 HydrophobicContact CD-CD1 3.21Å; K7-Y255 HydrophobicContact CD-CD2 4.32Å; K7-Y255 HydrophobicContact CD-CE1 3.41Å; K7-Y255 VanDerWaalsContact CD-CE1 3.41Å; K7-Y255 HydrophobicContact CD-CE2 4.47Å; K7-Y255 HydrophobicContact CD-CG 3.7Å; K7-Y255 HydrophobicContact CG-CD1 4.44Å; K7-Y255 HydrophobicContact CG-CE1 4.45Å | ||
| 8 | K | 89.8 | Confident | 86.5 | Confident | 161 Ų | 161 | 72 Ų | 72 | 70% | 0.7 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.8 | -37.7 | 176.5 | -68.5 | 178.7 | -177.8 | 171.3 | 0 | 112.4 | F10 W11 R12 | K8-F10 VanDerWaalsContact C-N 3.28Å; K8-F10 PolarHBondContact O-N 3.29Å; K8-W11 PolarHBondContact O-N 3.25Å; K8-R12 WeakPolarHBondContact O-CG 3.35Å; K8-R12 PolarHBondContact O-N 3.41Å |
| 9 | M | 89.3 | Confident | 87.2 | Confident | 57 Ų | 57 | 74.5 Ų | 74.5 | 28% | 0.281 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61 | -37.2 | 179.5 | -66.7 | -55.7 | -62.2 | 0 | 0 | 112.4 | K7 W11 R12 A13 L257 | K7-M9 VanDerWaalsContact C-N 3.31Å; K7-M9 PolarHBondContact O-N 2.82Å; M9-W11 PolarHBondContact O-N 3.36Å; M9-R12 PolarHBondContact O-N 3.04Å; M9-A13 WeakPolarHBondContact O-CB 3.34Å; M9-A13 PolarHBondContact O-N 3.3Å; M9-L257 HydrophobicContact CE-CD1 3.66Å |
| 10 | F | 91.9 | Very high | 87.7 | Confident | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.009 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57 | -51.5 | 174.5 | 177.1 | -90.7 | 0 | 0 | 0 | 111.4 | E4 K7 K8 A13 V14 F94 K95 M98 | E4-F10 HydrophobicContact CB-CD2 4.24Å; E4-F10 WeakPolarHBondContact O-CB 3.43Å; K7-F10 HydrophobicContact CB-CB 4.36Å; K7-F10 WeakPolarHBondContact O-CB 3.36Å; K7-F10 PolarHBondContact O-N 2.96Å; K8-F10 VanDerWaalsContact C-N 3.28Å; K8-F10 PolarHBondContact O-N 3.29Å; F10-A13 WeakPolarHBondContact O-CB 3.4Å; F10-A13 PolarHBondContact O-N 3.11Å; F10-V14 HydrophobicContact CD1-CG2 4.21Å; F10-V14 HydrophobicContact CE1-CG2 3.83Å; F10-V14 HydrophobicContact CZ-CG2 4.1Å; F10-V14 WeakPolarHBondContact O-CG2 3.26Å; F10-V14 PolarHBondContact O-N 3Å; F10-F94 AromaticContact CE1-CE1 3.84Å; F10-F94 HydrophobicContact CE1-CE1 3.84Å; F10-F94 AromaticContact CE2-CD1 3.86Å; F10-F94 HydrophobicContact CE2-CD1 3.86Å; F10-F94 AromaticContact CE2-CE1 3.99Å; F10-F94 HydrophobicContact CE2-CE1 3.99Å; F10-F94 AromaticContact CZ-CD1 3.64Å; F10-F94 HydrophobicContact CZ-CD1 3.64Å; F10-F94 AromaticContact CZ-CE1 3.35Å; F10-F94 HydrophobicContact CZ-CE1 3.35Å; F10-F94 HydrophobicContact CZ-CZ 4.23Å; F10-K95 HydrophobicContact CD2-CB 4.46Å; F10-K95 HydrophobicContact CD2-CG 4.19Å; F10-K95 HydrophobicContact CE2-CB 3.77Å; F10-K95 HydrophobicContact CE2-CG 3.83Å; F10-M98 HydrophobicContact CE1-CB 4.49Å; F10-M98 HydrophobicContact CE1-CG 4.24Å; F10-M98 HydrophobicContact CZ-CB 3.95Å; F10-M98 HydrophobicContact CZ-CG 3.78Å |
| 11 | W | 94.5 | Very high | 88.2 | Confident | 92 Ų | 92 | 67.4 Ų | 67.4 | 35% | 0.348 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.7 | -36.1 | -179.6 | -69.4 | 108.5 | 0 | 0 | 0 | 113.4 | F5 K8 M9 A13 V14 V15 M98 | F5-W11 HydrophobicContact CD2-CH2 4.32Å; F5-W11 AromaticContact CD2-CZ2 3.57Å; F5-W11 HydrophobicContact CD2-CZ2 3.57Å; F5-W11 AromaticContact CE2-CH2 3.93Å; F5-W11 HydrophobicContact CE2-CH2 3.93Å; F5-W11 AromaticContact CE2-CZ2 3.35Å; F5-W11 HydrophobicContact CE2-CZ2 3.35Å; F5-W11 HydrophobicContact CG-CZ2 4.32Å; F5-W11 AromaticContact CZ-CZ2 3.86Å; F5-W11 HydrophobicContact CZ-CZ2 3.86Å; F5-W11 PolarHBondContact O-NE1 3.16Å; K8-W11 PolarHBondContact O-N 3.25Å; M9-W11 PolarHBondContact O-N 3.36Å; W11-A13 PolarHBondContact O-N 2.56Å; W11-V14 HydrophobicContact CE3-CB 4.4Å; W11-V14 HydrophobicContact CE3-CG1 4.48Å; W11-V14 PolarHBondContact O-N 3.13Å; W11-V15 WeakPolarHBondContact O-CB 3.42Å; W11-V15 VanDerWaalsContact O-CG2 3.31Å; W11-V15 WeakPolarHBondContact O-CG2 3.46Å; W11-V15 PolarHBondContact O-N 3.15Å; W11-M98 HydrophobicContact CH2-CE 3.75Å; W11-M98 HydrophobicContact CZ3-CE 3.56Å |
| 12 | R | 95.7 | Very high | 90.2 | Very high | 152 Ų | 152 | 61.9 Ų | 61.9 | 57% | 0.574 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -57.5 | -42 | 171.8 | -74.1 | 175.8 | 173.7 | 178.6 | -3.5 | 111.1 | K8 M9 A16 I72 | K8-R12 WeakPolarHBondContact O-CG 3.35Å; K8-R12 PolarHBondContact O-N 3.41Å; M9-R12 PolarHBondContact O-N 3.04Å; R12-A16 VanDerWaalsContact O-CB 3.29Å; R12-A16 WeakPolarHBondContact O-CB 3.29Å; R12-A16 PolarHBondContact O-N 3.33Å; R12-I72 HydrophobicContact CB-CG2 4.32Å |
| 13 | A | 95.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 61 Ų | 61 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.7 | -43.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M9 F10 W11 V15 A16 E17 I72 S73 Y99 | M9-A13 WeakPolarHBondContact O-CB 3.34Å; M9-A13 PolarHBondContact O-N 3.3Å; F10-A13 WeakPolarHBondContact O-CB 3.4Å; F10-A13 PolarHBondContact O-N 3.11Å; W11-A13 PolarHBondContact O-N 2.56Å; A13-V15 PolarHBondContact O-N 3.17Å; A13-A16 WeakPolarHBondContact O-CB 3.36Å; A13-A16 PolarHBondContact O-N 3.04Å; A13-E17 PolarHBondContact O-N 3.34Å; A13-I72 WeakPolarHBondContact CB-O 3.47Å; A13-S73 WeakPolarHBondContact O-CB 3.4Å; A13-Y99 HydrophobicContact CB-CE1 4.15Å; A13-Y99 VanDerWaalsContact CB-OH 3.31Å; A13-Y99 WeakPolarHBondContact CB-OH 3.38Å |
| 14 | V | 97.7 | Very high | 93.5 | Very high | 14 Ų | 14 | 57.9 Ų | 57.9 | 9% | 0.085 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.1 | -43.6 | 175 | 174.6 | 0 | 0 | 0 | 0 | 111.5 | F10 W11 A16 E17 F18 M98 Y99 A102 | F10-V14 HydrophobicContact CD1-CG2 4.21Å; F10-V14 HydrophobicContact CE1-CG2 3.83Å; F10-V14 HydrophobicContact CZ-CG2 4.1Å; F10-V14 WeakPolarHBondContact O-CG2 3.26Å; F10-V14 PolarHBondContact O-N 3Å; W11-V14 HydrophobicContact CE3-CB 4.4Å; W11-V14 HydrophobicContact CE3-CG1 4.48Å; W11-V14 PolarHBondContact O-N 3.13Å; V14-A16 VanDerWaalsContact C-N 3.35Å; V14-E17 PolarHBondContact O-N 3.13Å; V14-F18 PolarHBondContact O-N 3.05Å; V14-F18 VanDerWaalsContact O-N 3.12Å; V14-M98 HydrophobicContact CG1-CE 4.39Å; V14-M98 HydrophobicContact CG2-CB 3.93Å; V14-Y99 HydrophobicContact CG2-CD1 4.15Å; V14-Y99 HydrophobicContact CG2-CE1 4.16Å; V14-A102 HydrophobicContact CG1-CB 3.94Å |
| 15 | V | 98.1 | Very high | 94.6 | Very high | 92 Ų | 92 | 57.9 Ų | 57.9 | 56% | 0.558 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.1 | -39 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | W11 A13 F18 F19 | W11-V15 WeakPolarHBondContact O-CB 3.42Å; W11-V15 VanDerWaalsContact O-CG2 3.31Å; W11-V15 WeakPolarHBondContact O-CG2 3.46Å; W11-V15 PolarHBondContact O-N 3.15Å; A13-V15 PolarHBondContact O-N 3.17Å; V15-F18 PolarHBondContact O-N 2.68Å; V15-F19 WeakPolarHBondContact O-CB 3.46Å; V15-F19 PolarHBondContact O-N 3.25Å |
| 16 | A | 98.1 | Very high | 95.5 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R12 A13 V14 F18 F19 A20 V69 I72 | R12-A16 VanDerWaalsContact O-CB 3.29Å; R12-A16 WeakPolarHBondContact O-CB 3.29Å; R12-A16 PolarHBondContact O-N 3.33Å; A13-A16 WeakPolarHBondContact O-CB 3.36Å; A13-A16 PolarHBondContact O-N 3.04Å; V14-A16 VanDerWaalsContact C-N 3.35Å; A16-F18 PolarHBondContact O-N 3.49Å; A16-F19 PolarHBondContact O-N 3.24Å; A16-A20 WeakPolarHBondContact O-CB 3.37Å; A16-A20 PolarHBondContact O-N 3.14Å; A16-V69 HydrophobicContact CB-CB 4.25Å; A16-I72 HydrophobicContact CB-CB 4.34Å; A16-I72 HydrophobicContact CB-CG2 4.02Å |
| 17 | E | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.6 | -47.3 | 173.9 | -74.6 | -65.5 | 131.7 | 0 | 0 | 112 | A13 V14 M21 S73 A75 H76 L77 Y99 A102 Q103 | A13-E17 PolarHBondContact O-N 3.34Å; V14-E17 PolarHBondContact O-N 3.13Å; E17-M21 WeakPolarHBondContact O-CB 3.39Å; E17-M21 PolarHBondContact O-N 3.17Å; E17-S73 WeakPolarHBondContact OE1-CB 3.41Å; E17-S73 PolarHBondContact OE1-OG 3.48Å; E17-A75 VanDerWaalsContact OE1-CA 3.27Å; E17-A75 WeakPolarHBondContact OE1-CA 3.46Å; E17-A75 PolarHBondContact OE1-N 3.36Å; E17-H76 PolarHBondContact OE1-N 3.05Å; E17-L77 PolarHBondContact OE2-N 3.05Å; E17-Y99 HydrophobicContact CG-CD1 3.94Å; E17-Y99 HydrophobicContact CG-CD2 3.74Å; E17-Y99 HydrophobicContact CG-CE1 4.02Å; E17-Y99 HydrophobicContact CG-CE2 3.82Å; E17-Y99 HydrophobicContact CG-CG 3.8Å; E17-A102 HydrophobicContact CB-CB 4.21Å; E17-Q103 PolarHBondContact OE2-NE2 3.06Å |
| 18 | F | 98.8 | Very high | 96.8 | Very high | 69 Ų | 69 | 48 Ų | 48 | 30% | 0.303 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.8 | -49.9 | 177.3 | 167.7 | -96.8 | 0 | 0 | 0 | 112.2 | V14 V15 A16 M21 S22 A102 L105 V109 | V14-F18 PolarHBondContact O-N 3.05Å; V14-F18 VanDerWaalsContact O-N 3.12Å; V15-F18 PolarHBondContact O-N 2.68Å; A16-F18 PolarHBondContact O-N 3.49Å; F18-M21 PolarHBondContact O-N 3.41Å; F18-S22 PolarHBondContact O-N 2.94Å; F18-S22 PolarHBondContact O-OG 2.87Å; F18-A102 HydrophobicContact CB-CB 4.08Å; F18-L105 HydrophobicContact CD2-CB 3.96Å; F18-L105 HydrophobicContact CE2-CB 4.04Å; F18-V109 HydrophobicContact CE2-CB 4.4Å; F18-V109 HydrophobicContact CE2-CG2 4.02Å; F18-V109 HydrophobicContact CZ-CB 4.37Å; F18-V109 HydrophobicContact CZ-CG1 4.41Å; F18-V109 HydrophobicContact CZ-CG2 4.09Å |
| 19 | F | 98.5 | Very high | 97.2 | Very high | 119 Ų | 119 | 40.3 Ų | 40.3 | 52% | 0.522 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.7 | -46.5 | -174.6 | -176.2 | -101.3 | 0 | 0 | 0 | 111.8 | V15 A16 M21 S22 L23 | V15-F19 WeakPolarHBondContact O-CB 3.46Å; V15-F19 PolarHBondContact O-N 3.25Å; A16-F19 PolarHBondContact O-N 3.24Å; F19-M21 VanDerWaalsContact C-N 3.33Å; F19-M21 PolarHBondContact O-N 3.48Å; F19-S22 WeakPolarHBondContact O-CB 3.36Å; F19-S22 PolarHBondContact O-N 3.41Å; F19-L23 HydrophobicContact CD1-CD1 4Å; F19-L23 HydrophobicContact CE1-CD1 3.42Å; F19-L23 VanDerWaalsContact CE1-CD1 3.42Å; F19-L23 HydrophobicContact CE1-CG 4.2Å; F19-L23 HydrophobicContact CZ-CD1 3.88Å; F19-L23 HydrophobicContact CZ-CG 4.34Å; F19-L23 PolarHBondContact O-N 3.17Å |
| 20 | A | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.1 | -36.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A16 S22 L23 F24 M65 V69 L77 | A16-A20 WeakPolarHBondContact O-CB 3.37Å; A16-A20 PolarHBondContact O-N 3.14Å; A20-S22 VanDerWaalsContact C-N 3.31Å; A20-S22 PolarHBondContact O-N 2.98Å; A20-L23 PolarHBondContact O-N 3.1Å; A20-F24 VanDerWaalsContact O-CB 3.26Å; A20-F24 WeakPolarHBondContact O-CB 3.37Å; A20-F24 PolarHBondContact O-N 3.23Å; A20-M65 HydrophobicContact CB-CB 4.18Å; A20-M65 HydrophobicContact CB-CG 4.27Å; A20-M65 HydrophobicContact CB-SD 4.07Å; A20-V69 HydrophobicContact CB-CG2 3.59Å; A20-L77 HydrophobicContact CB-CD1 4.03Å; A20-L77 HydrophobicContact CB-CD2 3.53Å; A20-L77 HydrophobicContact CB-CG 4.44Å |
| 21 | M | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.8 | -38.7 | 174 | -171.9 | 64.3 | -179.2 | 0 | 0 | 111.3 | E17 F18 F19 F24 I25 L77 Q103 A107 A196 R197 | E17-M21 WeakPolarHBondContact O-CB 3.39Å; E17-M21 PolarHBondContact O-N 3.17Å; F18-M21 PolarHBondContact O-N 3.41Å; F19-M21 VanDerWaalsContact C-N 3.33Å; F19-M21 PolarHBondContact O-N 3.48Å; M21-F24 HydrophobicContact CE-CD1 4.19Å; M21-F24 HydrophobicContact CE-CE1 4.25Å; M21-F24 PolarHBondContact O-N 3.38Å; M21-F24 HydrophobicContact SD-CD1 3.64Å; M21-F24 HydrophobicContact SD-CE1 4.18Å; M21-I25 HydrophobicContact CE-CD1 3.71Å; M21-I25 HydrophobicContact CE-CG1 3.63Å; M21-I25 HydrophobicContact CG-CG1 4.39Å; M21-I25 WeakPolarHBondContact O-CB 3.36Å; M21-I25 WeakPolarHBondContact O-CG1 3.36Å; M21-I25 PolarHBondContact O-N 3.33Å; M21-I25 HydrophobicContact SD-CG1 4.17Å; M21-L77 HydrophobicContact CB-CD2 4.33Å; M21-L77 HydrophobicContact SD-CB 4.13Å; M21-Q103 HydrophobicContact CG-CB 4.31Å; M21-Q103 VanDerWaalsContact CG-O 3.23Å; M21-Q103 WeakPolarHBondContact CG-O 3.13Å; M21-A107 HydrophobicContact CE-CB 3.86Å; M21-A107 HydrophobicContact CG-CB 4.38Å; M21-A196 HydrophobicContact CE-CB 3.69Å; M21-R197 HydrophobicContact CE-CB 4.36Å |
| 22 | S | 98.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 36.1 Ų | 36.1 | 11% | 0.112 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -47.4 | 176.8 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | F18 F19 A20 F26 G106 A110 | F18-S22 PolarHBondContact O-N 2.94Å; F18-S22 PolarHBondContact O-OG 2.87Å; F19-S22 WeakPolarHBondContact O-CB 3.36Å; F19-S22 PolarHBondContact O-N 3.41Å; A20-S22 VanDerWaalsContact C-N 3.31Å; A20-S22 PolarHBondContact O-N 2.98Å; S22-F26 VanDerWaalsContact O-CB 3.27Å; S22-F26 WeakPolarHBondContact O-CB 3.29Å; S22-F26 PolarHBondContact O-N 3.45Å; S22-G106 WeakPolarHBondContact CA-O 3.42Å; S22-G106 VanDerWaalsContact OG-CA 3.25Å; S22-G106 WeakPolarHBondContact OG-CA 3.49Å; S22-G106 PolarHBondContact OG-O 3.02Å; S22-A110 WeakPolarHBondContact O-CB 3.21Å |
| 23 | L | 98.6 | Very high | 97.6 | Very high | 62 Ų | 62 | 29.6 Ų | 29.6 | 33% | 0.325 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.8 | -46.2 | 177.5 | -70.3 | 178.7 | 0 | 0 | 0 | 112.2 | F19 A20 I25 F26 I27 M65 | F19-L23 HydrophobicContact CD1-CD1 4Å; F19-L23 HydrophobicContact CE1-CD1 3.42Å; F19-L23 VanDerWaalsContact CE1-CD1 3.42Å; F19-L23 HydrophobicContact CE1-CG 4.2Å; F19-L23 HydrophobicContact CZ-CD1 3.88Å; F19-L23 HydrophobicContact CZ-CG 4.34Å; F19-L23 PolarHBondContact O-N 3.17Å; A20-L23 PolarHBondContact O-N 3.1Å; L23-I25 PolarHBondContact O-N 3.21Å; L23-F26 PolarHBondContact O-N 3.34Å; L23-I27 WeakPolarHBondContact O-CB 3.39Å; L23-I27 WeakPolarHBondContact O-CD1 3.38Å; L23-I27 VanDerWaalsContact O-CG1 3.29Å; L23-I27 WeakPolarHBondContact O-CG1 3.4Å; L23-I27 PolarHBondContact O-N 2.72Å; L23-M65 HydrophobicContact CB-SD 3.79Å; L23-M65 HydrophobicContact CD1-CE 4.33Å; L23-M65 HydrophobicContact CD1-SD 3.91Å |
| 24 | F | 98.6 | Very high | 97.3 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.3 | -51.8 | 177.4 | 161.7 | -122.2 | 0 | 0 | 0 | 111.3 | A20 M21 S28 F58 I62 M65 | A20-F24 VanDerWaalsContact O-CB 3.26Å; A20-F24 WeakPolarHBondContact O-CB 3.37Å; A20-F24 PolarHBondContact O-N 3.23Å; M21-F24 HydrophobicContact CE-CD1 4.19Å; M21-F24 HydrophobicContact CE-CE1 4.25Å; M21-F24 PolarHBondContact O-N 3.38Å; M21-F24 HydrophobicContact SD-CD1 3.64Å; M21-F24 HydrophobicContact SD-CE1 4.18Å; F24-S28 VanDerWaalsContact CD2-OG 3.31Å; F24-S28 WeakPolarHBondContact CD2-OG 3.36Å; F24-S28 VanDerWaalsContact CE2-OG 3.29Å; F24-S28 WeakPolarHBondContact CE2-OG 3.31Å; F24-S28 WeakPolarHBondContact O-CB 3.32Å; F24-S28 PolarHBondContact O-N 2.82Å; F24-S28 PolarHBondContact O-OG 3.49Å; F24-F58 HydrophobicContact CE2-CB 4.45Å; F24-F58 AromaticContact CE2-CD1 3.74Å; F24-F58 HydrophobicContact CE2-CD1 3.74Å; F24-F58 HydrophobicContact CE2-CE1 4.47Å; F24-F58 HydrophobicContact CE2-CG 4.43Å; F24-F58 AromaticContact CZ-CD1 3.71Å; F24-F58 HydrophobicContact CZ-CD1 3.71Å; F24-F58 HydrophobicContact CZ-CE1 4.22Å; F24-I62 HydrophobicContact CD1-CD1 3.91Å; F24-I62 HydrophobicContact CD2-CD1 3.69Å; F24-I62 HydrophobicContact CD2-CG1 3.85Å; F24-I62 HydrophobicContact CE1-CD1 3.92Å; F24-I62 HydrophobicContact CE2-CD1 3.71Å; F24-I62 HydrophobicContact CE2-CG1 3.58Å; F24-I62 HydrophobicContact CG-CD1 3.79Å; F24-I62 HydrophobicContact CG-CG1 4.46Å; F24-I62 HydrophobicContact CZ-CD1 3.82Å; F24-I62 HydrophobicContact CZ-CG1 3.97Å; F24-M65 HydrophobicContact CB-CG 4.3Å |
| 25 | I | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.4 | -42.4 | -177.5 | -67.3 | -60.1 | 0 | 0 | 0 | 111.9 | M21 L23 I27 S28 I29 A107 A110 R197 | M21-I25 HydrophobicContact CE-CD1 3.71Å; M21-I25 HydrophobicContact CE-CG1 3.63Å; M21-I25 HydrophobicContact CG-CG1 4.39Å; M21-I25 WeakPolarHBondContact O-CB 3.36Å; M21-I25 WeakPolarHBondContact O-CG1 3.36Å; M21-I25 PolarHBondContact O-N 3.33Å; M21-I25 HydrophobicContact SD-CG1 4.17Å; L23-I25 PolarHBondContact O-N 3.21Å; I25-I27 PolarHBondContact O-N 3.02Å; I25-S28 PolarHBondContact O-N 3.24Å; I25-I29 HydrophobicContact CG2-CD1 3.56Å; I25-I29 HydrophobicContact CG2-CG1 4.13Å; I25-I29 WeakPolarHBondContact O-CB 3.37Å; I25-I29 WeakPolarHBondContact O-CG1 3.31Å; I25-I29 PolarHBondContact O-N 2.95Å; I25-A107 HydrophobicContact CG1-CB 4Å; I25-A110 HydrophobicContact CB-CB 3.74Å; I25-A110 HydrophobicContact CG2-CB 3.7Å; I25-R197 HydrophobicContact CD1-CB 3.61Å; I25-R197 HydrophobicContact CD1-CG 3.65Å |
| 26 | F | 98.6 | Very high | 96.1 | Very high | 73 Ų | 73 | 30.8 Ų | 30.8 | 32% | 0.32 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.7 | -48.8 | 179.4 | -178 | -93 | 0 | 0 | 0 | 111.7 | S22 L23 G30 A110 I113 L114 V117 | S22-F26 VanDerWaalsContact O-CB 3.27Å; S22-F26 WeakPolarHBondContact O-CB 3.29Å; S22-F26 PolarHBondContact O-N 3.45Å; L23-F26 PolarHBondContact O-N 3.34Å; F26-G30 WeakPolarHBondContact O-CA 2.92Å; F26-G30 PolarHBondContact O-N 3.08Å; F26-A110 HydrophobicContact CB-CB 4.15Å; F26-I113 HydrophobicContact CD2-CG2 4.26Å; F26-I113 HydrophobicContact CE2-CG2 3.88Å; F26-L114 HydrophobicContact CD2-CB 4.22Å; F26-L114 HydrophobicContact CD2-CD1 4.17Å; F26-L114 HydrophobicContact CE2-CB 4.34Å; F26-L114 HydrophobicContact CE2-CD1 3.85Å; F26-L114 HydrophobicContact CZ-CD1 4.33Å; F26-V117 HydrophobicContact CE2-CG2 4.34Å |
| 27 | I | 98.3 | Very high | 95.5 | Very high | 80 Ų | 80 | 33.7 Ų | 33.7 | 41% | 0.41 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.9 | -45.7 | -180 | -64.6 | 166.3 | 0 | 0 | 0 | 110.6 | L23 I25 G30 S31 S61 | L23-I27 WeakPolarHBondContact O-CB 3.39Å; L23-I27 WeakPolarHBondContact O-CD1 3.38Å; L23-I27 VanDerWaalsContact O-CG1 3.29Å; L23-I27 WeakPolarHBondContact O-CG1 3.4Å; L23-I27 PolarHBondContact O-N 2.72Å; I25-I27 PolarHBondContact O-N 3.02Å; I27-G30 PolarHBondContact O-N 3.36Å; I27-S31 WeakPolarHBondContact O-CB 3.27Å; I27-S31 PolarHBondContact O-N 3.49Å; I27-S61 WeakPolarHBondContact CG2-OG 3.4Å |
| 28 | S | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -69.9 | -49.3 | -171.5 | -58 | 0 | 0 | 0 | 0 | 112.2 | F24 I25 G30 S31 A32 F58 | F24-S28 VanDerWaalsContact CD2-OG 3.31Å; F24-S28 WeakPolarHBondContact CD2-OG 3.36Å; F24-S28 VanDerWaalsContact CE2-OG 3.29Å; F24-S28 WeakPolarHBondContact CE2-OG 3.31Å; F24-S28 WeakPolarHBondContact O-CB 3.32Å; F24-S28 PolarHBondContact O-N 2.82Å; F24-S28 PolarHBondContact O-OG 3.49Å; I25-S28 PolarHBondContact O-N 3.24Å; S28-G30 VanDerWaalsContact C-N 3.34Å; S28-S31 PolarHBondContact O-N 2.89Å; S28-A32 PolarHBondContact O-N 2.93Å; S28-A32 VanDerWaalsContact O-N 3.14Å; S28-F58 VanDerWaalsContact CB-CE1 3.45Å; S28-F58 VanDerWaalsContact CB-CZ 3.46Å; S28-F58 WeakPolarHBondContact O-CE2 3.37Å |
| 29 | I | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68 | -37.8 | 175.4 | -59.5 | -177.3 | 0 | 0 | 0 | 110.1 | I25 S31 A32 L33 F58 L114 L126 S201 | I25-I29 HydrophobicContact CG2-CD1 3.56Å; I25-I29 HydrophobicContact CG2-CG1 4.13Å; I25-I29 WeakPolarHBondContact O-CB 3.37Å; I25-I29 WeakPolarHBondContact O-CG1 3.31Å; I25-I29 PolarHBondContact O-N 2.95Å; I29-S31 VanDerWaalsContact C-N 3.31Å; I29-S31 PolarHBondContact O-N 3.43Å; I29-A32 CarbonylContact O-C 3.34Å; I29-A32 WeakPolarHBondContact O-CA 3.43Å; I29-A32 WeakPolarHBondContact O-CB 3.47Å; I29-A32 PolarHBondContact O-N 2.96Å; I29-A32 VanDerWaalsContact O-N 3.1Å; I29-L33 HydrophobicContact CG2-CD1 4.05Å; I29-L33 HydrophobicContact CG2-CG 4.15Å; I29-L33 WeakPolarHBondContact O-CG 3.33Å; I29-L33 PolarHBondContact O-N 3.18Å; I29-F58 HydrophobicContact CG1-CZ 4.43Å; I29-L114 HydrophobicContact CB-CD2 3.59Å; I29-L114 HydrophobicContact CG2-CD2 3.38Å; I29-L126 WeakPolarHBondContact CG2-O 3.23Å; I29-S201 WeakPolarHBondContact CD1-OG 3.49Å |
| 30 | G | 96.5 | Very high | 92.6 | Very high | 24 Ų | 24 | 36.5 Ų | 36.5 | 25% | 0.247 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57 | -43 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F26 I27 S28 A32 L33 G34 | F26-G30 WeakPolarHBondContact O-CA 2.92Å; F26-G30 PolarHBondContact O-N 3.08Å; I27-G30 PolarHBondContact O-N 3.36Å; S28-G30 VanDerWaalsContact C-N 3.34Å; G30-A32 VanDerWaalsContact C-N 3.34Å; G30-A32 PolarHBondContact O-N 3.35Å; G30-L33 PolarHBondContact O-N 3.33Å; G30-G34 PolarHBondContact O-N 2.96Å |
| 31 | S | 96.1 | Very high | 90.9 | Very high | 25 Ų | 25 | 40.3 Ų | 40.3 | 18% | 0.175 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 174.5 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | I27 S28 I29 G34 K53 A57 | I27-S31 WeakPolarHBondContact O-CB 3.27Å; I27-S31 PolarHBondContact O-N 3.49Å; S28-S31 PolarHBondContact O-N 2.89Å; I29-S31 VanDerWaalsContact C-N 3.31Å; I29-S31 PolarHBondContact O-N 3.43Å; S31-G34 PolarHBondContact O-N 3.18Å; S31-K53 PolarHBondContact O-NZ 3.42Å; S31-A57 WeakPolarHBondContact OG-CB 3.31Å |
| 32 | A | 94.7 | Very high | 89.1 | Confident | 14 Ų | 14 | 46 Ų | 46 | 12% | 0.116 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S28 I29 G30 F35 Q49 V54 | S28-A32 PolarHBondContact O-N 2.93Å; S28-A32 VanDerWaalsContact O-N 3.14Å; I29-A32 CarbonylContact O-C 3.34Å; I29-A32 WeakPolarHBondContact O-CA 3.43Å; I29-A32 WeakPolarHBondContact O-CB 3.47Å; I29-A32 PolarHBondContact O-N 2.96Å; I29-A32 VanDerWaalsContact O-N 3.1Å; G30-A32 VanDerWaalsContact C-N 3.34Å; G30-A32 PolarHBondContact O-N 3.35Å; A32-F35 WeakPolarHBondContact O-CD1 3.39Å; A32-F35 WeakPolarHBondContact O-CE1 3.4Å; A32-Q49 PolarHBondContact O-NE2 2.89Å; A32-V54 HydrophobicContact CB-CG1 4Å; A32-V54 HydrophobicContact CB-CG2 4.18Å |
| 33 | L | 92.8 | Very high | 87.1 | Confident | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.079 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -78.6 | -21.4 | 175.7 | -64.3 | 176.9 | 0 | 0 | 0 | 112.9 | I29 G30 F35 S36 L114 T118 L121 L126 | I29-L33 HydrophobicContact CG2-CD1 4.05Å; I29-L33 HydrophobicContact CG2-CG 4.15Å; I29-L33 WeakPolarHBondContact O-CG 3.33Å; I29-L33 PolarHBondContact O-N 3.18Å; G30-L33 PolarHBondContact O-N 3.33Å; L33-F35 PolarHBondContact O-N 3.3Å; L33-F35 VanDerWaalsContact O-N 3.12Å; L33-S36 WeakPolarHBondContact O-CB 3.45Å; L33-S36 PolarHBondContact O-N 2.98Å; L33-S36 PolarHBondContact O-OG 3.39Å; L33-L114 HydrophobicContact CD1-CD2 3.92Å; L33-L114 HydrophobicContact CD1-CG 4.22Å; L33-T118 HydrophobicContact CD1-CG2 4.15Å; L33-L121 HydrophobicContact CD2-CD2 4.23Å; L33-L126 HydrophobicContact CD1-CD2 4.29Å |
| 34 | G | 88.8 | Confident | 85.2 | Confident | 26 Ų | 26 | 57.9 Ų | 57.9 | 27% | 0.268 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -59.5 | -26.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | G30 S31 S36 F37 | G30-G34 PolarHBondContact O-N 2.96Å; S31-G34 PolarHBondContact O-N 3.18Å; G34-S36 PolarHBondContact O-N 3.12Å; G34-F37 PolarHBondContact O-N 2.7Å; G34-F37 VanDerWaalsContact O-N 3.09Å |
| 35 | F | 86.3 | Confident | 83.3 | Confident | 71 Ų | 71 | 61.9 Ų | 61.9 | 31% | 0.311 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -63.5 | -24.7 | 176.3 | 85.7 | -68.4 | 0 | 0 | 0 | 112.7 | A32 L33 F37 Q49 | A32-F35 WeakPolarHBondContact O-CD1 3.39Å; A32-F35 WeakPolarHBondContact O-CE1 3.4Å; L33-F35 PolarHBondContact O-N 3.3Å; L33-F35 VanDerWaalsContact O-N 3.12Å; F35-F37 PolarHBondContact O-N 2.99Å; F35-Q49 HydrophobicContact CD2-CB 4.28Å; F35-Q49 HydrophobicContact CE2-CB 4.44Å; F35-Q49 HydrophobicContact CG-CB 4.41Å |
| 36 | S | 86.1 | Confident | 81.7 | Confident | 35 Ų | 35 | 68.6 Ų | 68.6 | 25% | 0.245 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -78.7 | -4.4 | 177.8 | -43.7 | 0 | 0 | 0 | 0 | 113.2 | L33 G34 | L33-S36 WeakPolarHBondContact O-CB 3.45Å; L33-S36 PolarHBondContact O-N 2.98Å; L33-S36 PolarHBondContact O-OG 3.39Å; G34-S36 PolarHBondContact O-N 3.12Å |
| 37 | F | 84.8 | Confident | 80.6 | Confident | 72 Ų | 72 | 70.5 Ų | 70.5 | 32% | 0.316 | 42% | 0.416 | S | S | . | . | trans | -108.6 | 146.5 | 177.2 | -75.8 | -86.4 | 0 | 0 | 0 | 112.9 | G34 F35 V39 R47 T118 L121 | G34-F37 PolarHBondContact O-N 2.7Å; G34-F37 VanDerWaalsContact O-N 3.09Å; F35-F37 PolarHBondContact O-N 2.99Å; F37-V39 HydrophobicContact CD1-CG2 3.9Å; F37-V39 HydrophobicContact CE1-CG2 3.76Å; F37-V39 HydrophobicContact CZ-CG2 4.34Å; F37-R47 PolarHBondContact O-NH1 3.39Å; F37-T118 HydrophobicContact CE2-CG2 4.3Å; F37-L121 HydrophobicContact CE2-CB 4.42Å; F37-L121 HydrophobicContact CE2-CD1 4.2Å; F37-L121 HydrophobicContact CZ-CB 4.25Å; F37-L121 HydrophobicContact CZ-CD1 4.42Å | ||
| 38 | P | 82.3 | Confident | 79.8 | Confident | 84 Ų | 84 | 71.8 Ų | 71.8 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | S | Bend | cis | -65.9 | 147.8 | -8 | 27.7 | -36.3 | 0 | 0 | 0 | 112.2 | V40 R47 | P38-V40 HydrophobicContact CB-CG2 4.35Å; P38-V40 HydrophobicContact CG-CG2 4.09Å; P38-V40 PolarHBondContact O-N 3.31Å; P38-V40 VanDerWaalsContact O-N 3.16Å; P38-R47 PolarHBondContact O-NH1 2.79Å |
| 39 | V | 79.1 | Confident | 79.3 | Confident | 74 Ų | 74 | 74.3 Ų | 74.3 | 45% | 0.448 | 44% | 0.444 | S | S | . | . | trans | -76.1 | 96.5 | 175.5 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | F37 L121 | F37-V39 HydrophobicContact CD1-CG2 3.9Å; F37-V39 HydrophobicContact CE1-CG2 3.76Å; F37-V39 HydrophobicContact CZ-CG2 4.34Å; V39-L121 HydrophobicContact CG2-CD1 3.95Å | ||
| 40 | V | 73.4 | Confident | 79.1 | Confident | 89 Ų | 89 | 78.4 Ų | 78.4 | 54% | 0.539 | 47% | 0.465 | S | S | . | . | trans | -100 | 123.8 | -179.2 | -175.4 | 0 | 0 | 0 | 0 | 108.9 | P38 N42 | P38-V40 HydrophobicContact CB-CG2 4.35Å; P38-V40 HydrophobicContact CG-CG2 4.09Å; P38-V40 PolarHBondContact O-N 3.31Å; P38-V40 VanDerWaalsContact O-N 3.16Å; V40-N42 HydrophobicContact CG1-CB 4.39Å; V40-N42 PolarHBondContact O-N 2.72Å | ||
| 41 | G | 62.5 | Low | 79.1 | Confident | 79 Ų | 79 | 79 Ų | 79 | 81% | 0.814 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -65.5 | -19.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 42 | N | 60.1 | Low | 79.1 | Confident | 121 Ų | 121 | 81.5 Ų | 81.5 | 65% | 0.647 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -88.9 | 112.4 | 173 | -87.1 | -7.7 | 0 | 0 | 0 | 110.6 | V40 T44 | V40-N42 HydrophobicContact CG1-CB 4.39Å; V40-N42 PolarHBondContact O-N 2.72Å; N42-T44 PolarHBondContact O-N 2.75Å |
| 43 | K | 58.6 | Low | 79.2 | Confident | 204 Ų | 204 | 85 Ų | 85 | 89% | 0.887 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 16.8 | -179.2 | -61.9 | -179.2 | 177.9 | 178.7 | 0 | 115.1 | S45 | K43-S45 VanDerWaalsContact C-N 3.33Å; K43-S45 PolarHBondContact O-N 2.9Å |
| 44 | T | 57.4 | Low | 79.5 | Confident | 122 Ų | 122 | 84.8 Ų | 84.8 | 75% | 0.748 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9 | -170.4 | 52.2 | 0 | 0 | 0 | 0 | 114 | N42 | N42-T44 PolarHBondContact O-N 2.75Š|
| 45 | S | 59.2 | Low | 79.9 | Confident | 91 Ų | 91 | 83.5 Ų | 83.5 | 64% | 0.636 | 48% | 0.476 | S | S | * | . | trans | -119.4 | 104 | 174.5 | -61 | 0 | 0 | 0 | 0 | 110.4 | K43 R47 | K43-S45 VanDerWaalsContact C-N 3.33Å; K43-S45 PolarHBondContact O-N 2.9Å; S45-R47 PolarHBondContact O-N 3.48Å | ||
| 46 | T | 63.9 | Low | 80.5 | Confident | 142 Ų | 142 | 83.8 Ų | 83.8 | 87% | 0.871 | 48% | 0.48 | S | S | * | . | trans | -75.8 | 100.4 | 167.7 | 48.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 47 | R | 75.2 | Confident | 81.1 | Confident | 113 Ų | 113 | 83.1 Ų | 83.1 | 43% | 0.426 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -83.4 | 125.7 | 167.6 | -64.9 | -171.7 | -165.1 | 119.7 | 10.2 | 108.8 | F37 P38 S45 | F37-R47 PolarHBondContact O-NH1 3.39Å; P38-R47 PolarHBondContact O-NH1 2.79Å; S45-R47 PolarHBondContact O-N 3.48Å |
| 48 | S | 83.1 | Confident | 81.7 | Confident | 106 Ų | 106 | 79.7 Ų | 79.7 | 74% | 0.741 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -84.8 | 146.1 | 169.7 | 54.3 | 0 | 0 | 0 | 0 | 110 | ||
| 49 | Q | 86.9 | Confident | 82.5 | Confident | 54 Ų | 54 | 75.8 Ų | 75.8 | 25% | 0.252 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 142.3 | 165.3 | -177.9 | 66.4 | -90.5 | 0 | 0 | 109.3 | A32 F35 V54 | A32-Q49 PolarHBondContact O-NE2 2.89Å; F35-Q49 HydrophobicContact CD2-CB 4.28Å; F35-Q49 HydrophobicContact CE2-CB 4.44Å; F35-Q49 HydrophobicContact CG-CB 4.41Å; Q49-V54 VanDerWaalsContact CD-CG2 3.5Å; Q49-V54 HydrophobicContact CG-CG2 4.1Å |
| 50 | D | 94 | Very high | 83.4 | Confident | 85 Ų | 85 | 76.4 Ų | 76.4 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | trans | -101.6 | 105.1 | 170.3 | -178.9 | -17.3 | 0 | 0 | 0 | 108.9 | V52 K53 V54 | D50-V52 PolarHBondContact O-N 3.2Å; D50-V52 WeakPolarHBondContact OD1-CA 3.38Å; D50-V52 WeakPolarHBondContact OD1-CB 3.29Å; D50-V52 PolarHBondContact OD1-N 3.19Å; D50-K53 HydrophobicContact CB-CB 3.85Å; D50-K53 WeakPolarHBondContact O-CB 3.29Å; D50-K53 PolarHBondContact O-N 2.98Å; D50-K53 PolarHBondContact OD1-N 3.38Å; D50-K53 VanDerWaalsContact OD1-N 3.1Å; D50-V54 WeakPolarHBondContact O-CG2 3.37Å; D50-V54 PolarHBondContact O-N 2.9Å; D50-V54 VanDerWaalsContact O-N 3.07Å | ||
| 51 | N | 95.1 | Very high | 84.6 | Confident | 36 Ų | 36 | 72.7 Ų | 72.7 | 19% | 0.193 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63.6 | -29.5 | -179.1 | -69.5 | 0.6 | 0 | 0 | 0 | 112.2 | S55 I186 D187 | N51-S55 WeakPolarHBondContact O-CB 3.42Å; N51-S55 PolarHBondContact O-N 3.33Å; N51-S55 PolarHBondContact O-OG 2.89Å; N51-I186 HydrophobicContact CB-CD1 4.45Å; N51-I186 WeakPolarHBondContact OD1-CG2 3.22Å; N51-D187 PolarHBondContact ND2-OD1 3.02Å; N51-D187 PolarHBondContact ND2-OD2 3.24Å; N51-D187 VanDerWaalsContact ND2-OD2 3.08Å |
| 52 | V | 97.4 | Very high | 86.4 | Confident | 79 Ų | 79 | 69.5 Ų | 69.5 | 48% | 0.479 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -69.3 | -45.2 | 176.7 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | D50 V54 S55 L56 L183 | D50-V52 PolarHBondContact O-N 3.2Å; D50-V52 WeakPolarHBondContact OD1-CA 3.38Å; D50-V52 WeakPolarHBondContact OD1-CB 3.29Å; D50-V52 PolarHBondContact OD1-N 3.19Å; V52-V54 PolarHBondContact O-N 3.19Å; V52-S55 PolarHBondContact O-N 3.48Å; V52-L56 HydrophobicContact CG1-CD1 3.82Å; V52-L56 HydrophobicContact CG1-CG 4.28Å; V52-L56 WeakPolarHBondContact O-CB 3.28Å; V52-L56 WeakPolarHBondContact O-CG 3.38Å; V52-L56 PolarHBondContact O-N 3.4Å; V52-L183 HydrophobicContact CB-CD2 4.49Å; V52-L183 HydrophobicContact CG2-CD2 4.03Å |
| 53 | K | 97.1 | Very high | 88.2 | Confident | 88 Ų | 88 | 64.1 Ų | 64.1 | 38% | 0.383 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -56 | -49.7 | 174.5 | 178.7 | -161.6 | 169.7 | -156.5 | 0 | 111.2 | S31 D50 A57 | S31-K53 PolarHBondContact O-NZ 3.42Å; D50-K53 HydrophobicContact CB-CB 3.85Å; D50-K53 WeakPolarHBondContact O-CB 3.29Å; D50-K53 PolarHBondContact O-N 2.98Å; D50-K53 PolarHBondContact OD1-N 3.38Å; D50-K53 VanDerWaalsContact OD1-N 3.1Å; K53-A57 WeakPolarHBondContact O-CB 3.49Å; K53-A57 PolarHBondContact O-N 3.43Å |
| 54 | V | 97.3 | Very high | 90.1 | Very high | 9 Ų | 9 | 58 Ų | 58 | 6% | 0.055 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.1 | -48.4 | -179.2 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | A32 Q49 D50 V52 L56 A57 F58 I186 | A32-V54 HydrophobicContact CB-CG1 4Å; A32-V54 HydrophobicContact CB-CG2 4.18Å; Q49-V54 VanDerWaalsContact CD-CG2 3.5Å; Q49-V54 HydrophobicContact CG-CG2 4.1Å; D50-V54 WeakPolarHBondContact O-CG2 3.37Å; D50-V54 PolarHBondContact O-N 2.9Å; D50-V54 VanDerWaalsContact O-N 3.07Å; V52-V54 PolarHBondContact O-N 3.19Å; V54-L56 PolarHBondContact O-N 2.89Å; V54-A57 WeakPolarHBondContact O-CB 3.26Å; V54-A57 PolarHBondContact O-N 3.16Å; V54-A57 VanDerWaalsContact O-N 3.1Å; V54-F58 HydrophobicContact CG1-CD2 3.77Å; V54-F58 HydrophobicContact CG1-CE2 3.7Å; V54-F58 WeakPolarHBondContact O-CD2 3.13Å; V54-F58 PolarHBondContact O-N 3.48Å; V54-I186 HydrophobicContact CB-CD1 4Å; V54-I186 HydrophobicContact CG1-CD1 3.83Å |
| 55 | S | 98.4 | Very high | 92 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.1 | -45 | -179.5 | -60.2 | 0 | 0 | 0 | 0 | 112.7 | N51 V52 F58 G59 A179 H182 L183 I186 | N51-S55 WeakPolarHBondContact O-CB 3.42Å; N51-S55 PolarHBondContact O-N 3.33Å; N51-S55 PolarHBondContact O-OG 2.89Å; V52-S55 PolarHBondContact O-N 3.48Å; S55-F58 PolarHBondContact O-N 2.97Å; S55-G59 PolarHBondContact O-N 2.91Å; S55-A179 WeakPolarHBondContact CB-O 3.4Å; S55-A179 WeakPolarHBondContact O-CA 3.26Å; S55-A179 WeakPolarHBondContact O-CB 3.39Å; S55-H182 VanDerWaalsContact OG-C 3.22Å; S55-H182 VanDerWaalsContact OG-CB 3.27Å; S55-H182 WeakPolarHBondContact OG-CB 3.27Å; S55-L183 WeakPolarHBondContact OG-CA 3.45Å; S55-L183 PolarHBondContact OG-N 3.05Å; S55-L183 VanDerWaalsContact OG-N 3.09Å; S55-I186 WeakPolarHBondContact OG-CD1 3.41Å |
| 56 | L | 98.4 | Very high | 93.8 | Very high | 77 Ų | 77 | 49.3 Ų | 49.3 | 40% | 0.403 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65 | -39.4 | 175.4 | -73.6 | 175 | 0 | 0 | 0 | 111.9 | V52 V54 F58 G59 L60 | V52-L56 HydrophobicContact CG1-CD1 3.82Å; V52-L56 HydrophobicContact CG1-CG 4.28Å; V52-L56 WeakPolarHBondContact O-CB 3.28Å; V52-L56 WeakPolarHBondContact O-CG 3.38Å; V52-L56 PolarHBondContact O-N 3.4Å; V54-L56 PolarHBondContact O-N 2.89Å; L56-F58 PolarHBondContact O-N 2.88Å; L56-G59 PolarHBondContact O-N 3.43Å; L56-L60 VanDerWaalsContact O-CB 3.24Å; L56-L60 WeakPolarHBondContact O-CB 3.21Å; L56-L60 VanDerWaalsContact O-CG 3.25Å; L56-L60 WeakPolarHBondContact O-CG 3.18Å; L56-L60 PolarHBondContact O-N 3.39Å |
| 57 | A | 98.5 | Very high | 95.4 | Very high | 20 Ų | 20 | 48.1 Ų | 48.1 | 17% | 0.165 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S31 K53 V54 S61 | S31-A57 WeakPolarHBondContact OG-CB 3.31Å; K53-A57 WeakPolarHBondContact O-CB 3.49Å; K53-A57 PolarHBondContact O-N 3.43Å; V54-A57 WeakPolarHBondContact O-CB 3.26Å; V54-A57 PolarHBondContact O-N 3.16Å; V54-A57 VanDerWaalsContact O-N 3.1Å; A57-S61 WeakPolarHBondContact O-CB 3.48Å; A57-S61 PolarHBondContact O-N 2.95Å; A57-S61 VanDerWaalsContact O-N 3.09Å; A57-S61 PolarHBondContact O-OG 3.44Å |
| 58 | F | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.4 | -48.3 | 175.4 | -85.9 | -98.9 | 0 | 0 | 0 | 111.7 | F24 S28 I29 V54 S55 L56 S61 I62 V178 H182 R197 | F24-F58 HydrophobicContact CE2-CB 4.45Å; F24-F58 AromaticContact CE2-CD1 3.74Å; F24-F58 HydrophobicContact CE2-CD1 3.74Å; F24-F58 HydrophobicContact CE2-CE1 4.47Å; F24-F58 HydrophobicContact CE2-CG 4.43Å; F24-F58 AromaticContact CZ-CD1 3.71Å; F24-F58 HydrophobicContact CZ-CD1 3.71Å; F24-F58 HydrophobicContact CZ-CE1 4.22Å; S28-F58 VanDerWaalsContact CB-CE1 3.45Å; S28-F58 VanDerWaalsContact CB-CZ 3.46Å; S28-F58 WeakPolarHBondContact O-CE2 3.37Å; I29-F58 HydrophobicContact CG1-CZ 4.43Å; V54-F58 HydrophobicContact CG1-CD2 3.77Å; V54-F58 HydrophobicContact CG1-CE2 3.7Å; V54-F58 WeakPolarHBondContact O-CD2 3.13Å; V54-F58 PolarHBondContact O-N 3.48Å; S55-F58 PolarHBondContact O-N 2.97Å; L56-F58 PolarHBondContact O-N 2.88Å; F58-S61 PolarHBondContact O-N 3.44Å; F58-I62 PolarHBondContact O-N 3.24Å; F58-I62 VanDerWaalsContact O-N 3.15Å; F58-V178 HydrophobicContact CB-CG1 4.3Å; F58-H182 AromaticContact CD1-CD2 3.91Å; F58-H182 AromaticContact CD1-CE1 3.6Å; F58-H182 AromaticContact CD1-NE2 3.08Å; F58-H182 WeakPolarHBondContact CD1-NE2 3.27Å; F58-H182 AromaticContact CD2-CD2 3.88Å; F58-H182 AromaticContact CD2-NE2 3.9Å; F58-H182 AromaticContact CE1-NE2 3.6Å; F58-H182 AromaticContact CG-CD2 3.61Å; F58-H182 AromaticContact CG-CE1 3.75Å; F58-H182 AromaticContact CG-NE2 3.25Å; F58-H182 VanDerWaalsContact CG-NE2 3.25Å; F58-H182 WeakPolarHBondContact CG-NE2 3.5Å; F58-R197 HydrophobicContact CE1-CG 4.22Å |
| 59 | G | 98.5 | Very high | 97.1 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -46.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | S55 L56 S61 I62 A63 G175 | S55-G59 PolarHBondContact O-N 2.91Å; L56-G59 PolarHBondContact O-N 3.43Å; G59-S61 VanDerWaalsContact C-N 3.31Å; G59-S61 PolarHBondContact O-N 2.77Å; G59-I62 PolarHBondContact O-N 3.3Å; G59-A63 PolarHBondContact O-N 2.58Å; G59-G175 CarbonylContact C-O 3.57Å; G59-G175 WeakPolarHBondContact CA-O 3.14Å; G59-G175 CarbonylContact O-C 3.59Å; G59-G175 WeakPolarHBondContact O-CA 3.44Å |
| 60 | L | 98.7 | Very high | 97.5 | Very high | 87 Ų | 87 | 40.1 Ų | 40.1 | 46% | 0.455 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.7 | -31.1 | 178.9 | -66.8 | 176.5 | 0 | 0 | 0 | 112.3 | L56 A63 T64 | L56-L60 VanDerWaalsContact O-CB 3.24Å; L56-L60 WeakPolarHBondContact O-CB 3.21Å; L56-L60 VanDerWaalsContact O-CG 3.25Å; L56-L60 WeakPolarHBondContact O-CG 3.18Å; L56-L60 PolarHBondContact O-N 3.39Å; L60-A63 PolarHBondContact O-N 2.79Å; L60-T64 WeakPolarHBondContact O-CB 3.48Å; L60-T64 PolarHBondContact O-N 3.42Å; L60-T64 PolarHBondContact O-OG1 3.31Å |
| 61 | S | 98.6 | Very high | 97.3 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 8% | 0.077 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.6 | -44.7 | 172.5 | -64 | 0 | 0 | 0 | 0 | 111 | I27 A57 F58 G59 T64 M65 | I27-S61 WeakPolarHBondContact CG2-OG 3.4Å; A57-S61 WeakPolarHBondContact O-CB 3.48Å; A57-S61 PolarHBondContact O-N 2.95Å; A57-S61 VanDerWaalsContact O-N 3.09Å; A57-S61 PolarHBondContact O-OG 3.44Å; F58-S61 PolarHBondContact O-N 3.44Å; G59-S61 VanDerWaalsContact C-N 3.31Å; G59-S61 PolarHBondContact O-N 2.77Å; S61-T64 PolarHBondContact O-N 2.92Å; S61-M65 WeakPolarHBondContact O-CB 3.35Å; S61-M65 VanDerWaalsContact O-CG 3.27Å; S61-M65 WeakPolarHBondContact O-CG 3.06Å; S61-M65 PolarHBondContact O-N 2.81Å |
| 62 | I | 98.4 | Very high | 97.3 | Very high | 13 Ų | 13 | 44.5 Ų | 44.5 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 173.4 | -69.2 | -65.5 | 0 | 0 | 0 | 111.4 | F24 F58 G59 T64 M65 A66 L77 I174 V178 | F24-I62 HydrophobicContact CD1-CD1 3.91Å; F24-I62 HydrophobicContact CD2-CD1 3.69Å; F24-I62 HydrophobicContact CD2-CG1 3.85Å; F24-I62 HydrophobicContact CE1-CD1 3.92Å; F24-I62 HydrophobicContact CE2-CD1 3.71Å; F24-I62 HydrophobicContact CE2-CG1 3.58Å; F24-I62 HydrophobicContact CG-CD1 3.79Å; F24-I62 HydrophobicContact CG-CG1 4.46Å; F24-I62 HydrophobicContact CZ-CD1 3.82Å; F24-I62 HydrophobicContact CZ-CG1 3.97Å; F58-I62 PolarHBondContact O-N 3.24Å; F58-I62 VanDerWaalsContact O-N 3.15Å; G59-I62 PolarHBondContact O-N 3.3Å; I62-T64 VanDerWaalsContact C-N 3.27Å; I62-T64 PolarHBondContact O-N 3.25Å; I62-M65 PolarHBondContact O-N 2.96Å; I62-A66 VanDerWaalsContact O-CB 3.22Å; I62-A66 WeakPolarHBondContact O-CB 3.24Å; I62-A66 PolarHBondContact O-N 3.12Å; I62-L77 HydrophobicContact CD1-CB 4.07Å; I62-L77 HydrophobicContact CD1-CD1 4.05Å; I62-I174 HydrophobicContact CG2-CG2 4.07Å; I62-V178 HydrophobicContact CB-CG2 4.28Å; I62-V178 HydrophobicContact CG1-CG1 4.14Å; I62-V178 HydrophobicContact CG1-CG2 4.13Å; I62-V178 HydrophobicContact CG2-CG2 4.1Å |
| 63 | A | 98.4 | Very high | 97.1 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.6 | -43.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G59 L60 Q67 P171 L172 | G59-A63 PolarHBondContact O-N 2.58Å; L60-A63 PolarHBondContact O-N 2.79Å; A63-Q67 VanDerWaalsContact O-CB 3.26Å; A63-Q67 WeakPolarHBondContact O-CB 3.31Å; A63-Q67 PolarHBondContact O-N 2.94Å; A63-P171 WeakPolarHBondContact CA-O 3.47Å; A63-P171 WeakPolarHBondContact O-CB 3.32Å; A63-L172 HydrophobicContact CB-CD1 4.31Å |
| 64 | T | 98.6 | Very high | 97 | Very high | 76 Ų | 76 | 38.7 Ų | 38.7 | 47% | 0.466 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -68.2 | -48.3 | -179.6 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | L60 S61 I62 A66 Q67 S68 | L60-T64 WeakPolarHBondContact O-CB 3.48Å; L60-T64 PolarHBondContact O-N 3.42Å; L60-T64 PolarHBondContact O-OG1 3.31Å; S61-T64 PolarHBondContact O-N 2.92Å; I62-T64 VanDerWaalsContact C-N 3.27Å; I62-T64 PolarHBondContact O-N 3.25Å; T64-A66 PolarHBondContact O-N 2.77Å; T64-Q67 PolarHBondContact O-N 3.48Å; T64-S68 WeakPolarHBondContact O-CB 3.25Å; T64-S68 PolarHBondContact O-N 3.41Å; T64-S68 PolarHBondContact O-OG 3.02Å |
| 65 | M | 98.4 | Very high | 96.9 | Very high | 18 Ų | 18 | 38.8 Ų | 38.8 | 9% | 0.089 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 178.6 | -67.4 | -55.7 | 95.2 | 0 | 0 | 111.7 | A20 L23 F24 S61 I62 Q67 S68 V69 L77 | A20-M65 HydrophobicContact CB-CB 4.18Å; A20-M65 HydrophobicContact CB-CG 4.27Å; A20-M65 HydrophobicContact CB-SD 4.07Å; L23-M65 HydrophobicContact CB-SD 3.79Å; L23-M65 HydrophobicContact CD1-CE 4.33Å; L23-M65 HydrophobicContact CD1-SD 3.91Å; F24-M65 HydrophobicContact CB-CG 4.3Å; S61-M65 WeakPolarHBondContact O-CB 3.35Å; S61-M65 VanDerWaalsContact O-CG 3.27Å; S61-M65 WeakPolarHBondContact O-CG 3.06Å; S61-M65 PolarHBondContact O-N 2.81Å; I62-M65 PolarHBondContact O-N 2.96Å; M65-Q67 VanDerWaalsContact C-N 3.33Å; M65-Q67 PolarHBondContact O-N 3.39Å; M65-S68 PolarHBondContact O-N 3.45Å; M65-V69 VanDerWaalsContact O-CG2 3.3Å; M65-V69 WeakPolarHBondContact O-CG2 3.27Å; M65-V69 PolarHBondContact O-N 2.81Å; M65-L77 HydrophobicContact CB-CD1 3.49Å; M65-L77 VanDerWaalsContact CB-CD1 3.49Å; M65-L77 HydrophobicContact CG-CD1 4.2Å |
| 66 | A | 97.1 | Very high | 96.9 | Very high | 12 Ų | 12 | 39.8 Ų | 39.8 | 10% | 0.099 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64 | -38 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I62 T64 S68 G70 A75 P171 | I62-A66 VanDerWaalsContact O-CB 3.22Å; I62-A66 WeakPolarHBondContact O-CB 3.24Å; I62-A66 PolarHBondContact O-N 3.12Å; T64-A66 PolarHBondContact O-N 2.77Å; A66-S68 VanDerWaalsContact C-N 3.35Å; A66-G70 WeakPolarHBondContact O-CA 3.43Å; A66-G70 PolarHBondContact O-N 2.88Å; A66-A75 VanDerWaalsContact CA-CB 3.47Å; A66-A75 HydrophobicContact CB-CB 3.89Å; A66-P171 HydrophobicContact CB-CB 3.81Å; A66-P171 HydrophobicContact CB-CG 4.29Å |
| 67 | Q | 97.8 | Very high | 96.9 | Very high | 116 Ų | 116 | 36.1 Ų | 36.1 | 54% | 0.542 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.6 | -36.7 | 173.1 | -172.1 | 62.7 | 55.9 | 0 | 0 | 112.1 | A63 T64 M65 S169 P171 | A63-Q67 VanDerWaalsContact O-CB 3.26Å; A63-Q67 WeakPolarHBondContact O-CB 3.31Å; A63-Q67 PolarHBondContact O-N 2.94Å; T64-Q67 PolarHBondContact O-N 3.48Å; M65-Q67 VanDerWaalsContact C-N 3.33Å; M65-Q67 PolarHBondContact O-N 3.39Å; Q67-S169 PolarHBondContact OE1-OG 2.81Å; Q67-P171 HydrophobicContact CB-CB 4.13Å; Q67-P171 HydrophobicContact CB-CG 4.38Å |
| 68 | S | 97.6 | Very high | 96.9 | Very high | 63 Ų | 63 | 35.4 Ų | 35.4 | 44% | 0.441 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -78.6 | -42.5 | -177 | -62.2 | 0 | 0 | 0 | 0 | 113.9 | T64 M65 A66 H71 | T64-S68 WeakPolarHBondContact O-CB 3.25Å; T64-S68 PolarHBondContact O-N 3.41Å; T64-S68 PolarHBondContact O-OG 3.02Å; M65-S68 PolarHBondContact O-N 3.45Å; A66-S68 VanDerWaalsContact C-N 3.35Å; S68-H71 PolarHBondContact O-CE1 2.97Å |
| 69 | V | 95.9 | Very high | 96.9 | Very high | 20 Ų | 20 | 35.6 Ų | 35.6 | 12% | 0.121 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -123.8 | 1.2 | -172.8 | -54.8 | 0 | 0 | 0 | 0 | 114.2 | A16 A20 M65 H71 I72 S73 A75 | A16-V69 HydrophobicContact CB-CB 4.25Å; A20-V69 HydrophobicContact CB-CG2 3.59Å; M65-V69 VanDerWaalsContact O-CG2 3.3Å; M65-V69 WeakPolarHBondContact O-CG2 3.27Å; M65-V69 PolarHBondContact O-N 2.81Å; V69-H71 VanDerWaalsContact C-N 3.26Å; V69-H71 PolarHBondContact O-N 3.04Å; V69-I72 HydrophobicContact CB-CD1 4.43Å; V69-I72 HydrophobicContact CG1-CD1 4.47Å; V69-I72 WeakPolarHBondContact O-CA 3.24Å; V69-I72 WeakPolarHBondContact O-CB 3.19Å; V69-I72 PolarHBondContact O-N 2.92Å; V69-S73 PolarHBondContact O-N 3.49Å; V69-A75 HydrophobicContact CG2-CB 4.17Å |
| 70 | G | 93.9 | Very high | 96.9 | Very high | 23 Ų | 23 | 35.6 Ų | 35.6 | 24% | 0.237 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.7 | -34.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | A66 I72 G74 | A66-G70 WeakPolarHBondContact O-CA 3.43Å; A66-G70 PolarHBondContact O-N 2.88Å; G70-I72 PolarHBondContact O-N 2.79Å; G70-G74 WeakPolarHBondContact O-CA 3.19Å; G70-G74 PolarHBondContact O-N 2.98Å |
| 71 | H | 91.5 | Very high | 96.9 | Very high | 153 Ų | 153 | 31.8 Ų | 31.8 | 71% | 0.708 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -71.1 | -11.8 | 174.5 | 66.8 | -81.9 | 0 | 0 | 0 | 113.8 | S68 V69 | S68-H71 PolarHBondContact O-CE1 2.97Å; V69-H71 VanDerWaalsContact C-N 3.26Å; V69-H71 PolarHBondContact O-N 3.04Å |
| 72 | I | 94.3 | Very high | 96.9 | Very high | 60 Ų | 60 | 31.3 Ų | 31.3 | 31% | 0.308 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -97.9 | -49 | 179.9 | -51.3 | 177.1 | 0 | 0 | 0 | 110.4 | R12 A13 A16 V69 G70 | R12-I72 HydrophobicContact CB-CG2 4.32Å; A13-I72 WeakPolarHBondContact CB-O 3.47Å; A16-I72 HydrophobicContact CB-CB 4.34Å; A16-I72 HydrophobicContact CB-CG2 4.02Å; V69-I72 HydrophobicContact CB-CD1 4.43Å; V69-I72 HydrophobicContact CG1-CD1 4.47Å; V69-I72 WeakPolarHBondContact O-CA 3.24Å; V69-I72 WeakPolarHBondContact O-CB 3.19Å; V69-I72 PolarHBondContact O-N 2.92Å; G70-I72 PolarHBondContact O-N 2.79Å |
| 73 | S | 93.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -118.6 | -12.5 | -173.9 | 71.8 | 0 | 0 | 0 | 0 | 115.6 | A13 E17 V69 A75 Y99 | A13-S73 WeakPolarHBondContact O-CB 3.4Å; E17-S73 WeakPolarHBondContact OE1-CB 3.41Å; E17-S73 PolarHBondContact OE1-OG 3.48Å; V69-S73 PolarHBondContact O-N 3.49Å; S73-A75 PolarHBondContact OG-N 3.48Å; S73-Y99 WeakPolarHBondContact CA-OH 3.49Å; S73-Y99 WeakPolarHBondContact CB-OH 3.44Å; S73-Y99 VanDerWaalsContact O-CE2 3.24Å; S73-Y99 WeakPolarHBondContact O-CE2 3.23Å; S73-Y99 PolarHBondContact O-OH 3.32Å |
| 74 | G | 93.7 | Very high | 96.7 | Very high | 44 Ų | 44 | 32.2 Ų | 32.2 | 45% | 0.454 | 19% | 0.189 | S | C | . | . | trans | 85.2 | -7.1 | -162.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G70 H76 | G70-G74 WeakPolarHBondContact O-CA 3.19Å; G70-G74 PolarHBondContact O-N 2.98Å; G74-H76 PolarHBondContact O-N 3.5Å | ||
| 75 | A | 96.6 | Very high | 96.6 | Very high | 11 Ų | 11 | 29.2 Ų | 29.2 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | trans | 47.1 | 57.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E17 A66 V69 S73 L77 | E17-A75 VanDerWaalsContact OE1-CA 3.27Å; E17-A75 WeakPolarHBondContact OE1-CA 3.46Å; E17-A75 PolarHBondContact OE1-N 3.36Å; A66-A75 VanDerWaalsContact CA-CB 3.47Å; A66-A75 HydrophobicContact CB-CB 3.89Å; V69-A75 HydrophobicContact CG2-CB 4.17Å; S73-A75 PolarHBondContact OG-N 3.48Å; A75-L77 HydrophobicContact CB-CD1 4.5Å; A75-L77 HydrophobicContact CB-CG 4.47Å | ||
| 76 | H | 98.2 | Very high | 96.5 | Very high | 20 Ų | 20 | 29.6 Ų | 29.6 | 9% | 0.093 | 17% | 0.173 | C | C | . | . | trans | -66.6 | -48.3 | -179.3 | -71.4 | -156.8 | 0 | 0 | 0 | 110.9 | E17 G74 N78 V81 T82 L85 Y99 | E17-H76 PolarHBondContact OE1-N 3.05Å; G74-H76 PolarHBondContact O-N 3.5Å; H76-N78 WeakPolarHBondContact O-CB 3.46Å; H76-N78 PolarHBondContact O-N 2.94Å; H76-V81 HydrophobicContact CB-CG1 4.49Å; H76-T82 WeakPolarHBondContact CB-OG1 3.39Å; H76-T82 WeakPolarHBondContact ND1-CA 3.46Å; H76-T82 PolarHBondContact ND1-OG1 2.91Å; H76-L85 WeakPolarHBondContact CE1-CD1 3.38Å; H76-L85 WeakPolarHBondContact NE2-CD1 3.39Å; H76-Y99 HydrophobicContact CB-CD2 4.31Å; H76-Y99 AromaticContact CG-CD2 3.91Å; H76-Y99 AromaticContact ND1-CD2 3.71Å | ||
| 77 | L | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | 48.9 | 20.8 | 175.3 | -47.8 | -178.9 | 0 | 0 | 0 | 114.3 | E17 A20 M21 I62 M65 A75 N194 | E17-L77 PolarHBondContact OE2-N 3.05Å; A20-L77 HydrophobicContact CB-CD1 4.03Å; A20-L77 HydrophobicContact CB-CD2 3.53Å; A20-L77 HydrophobicContact CB-CG 4.44Å; M21-L77 HydrophobicContact CB-CD2 4.33Å; M21-L77 HydrophobicContact SD-CB 4.13Å; I62-L77 HydrophobicContact CD1-CB 4.07Å; I62-L77 HydrophobicContact CD1-CD1 4.05Å; M65-L77 HydrophobicContact CB-CD1 3.49Å; M65-L77 VanDerWaalsContact CB-CD1 3.49Å; M65-L77 HydrophobicContact CG-CD1 4.2Å; A75-L77 HydrophobicContact CB-CD1 4.5Å; A75-L77 HydrophobicContact CB-CG 4.47Å; L77-N194 PolarHBondContact O-ND2 3.33Å | ||
| 78 | N | 98.4 | Very high | 96.1 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -163.6 | 121.2 | -171.3 | -175.9 | -19.9 | 0 | 0 | 0 | 109.6 | H76 A80 V81 T82 I193 N194 P195 | H76-N78 WeakPolarHBondContact O-CB 3.46Å; H76-N78 PolarHBondContact O-N 2.94Å; N78-A80 VanDerWaalsContact C-N 3.27Å; N78-A80 PolarHBondContact O-N 2.84Å; N78-A80 WeakPolarHBondContact OD1-CB 3.28Å; N78-A80 PolarHBondContact OD1-N 2.84Å; N78-V81 HydrophobicContact CB-CB 3.99Å; N78-V81 HydrophobicContact CB-CG2 3.77Å; N78-V81 PolarHBondContact O-N 3.42Å; N78-T82 PolarHBondContact O-N 2.83Å; N78-T82 PolarHBondContact O-OG1 2.95Å; N78-I193 PolarHBondContact ND2-O 2.93Å; N78-N194 HydrophobicContact CB-CB 4.4Å; N78-N194 WeakPolarHBondContact ND2-CB 3.45Å; N78-N194 WeakPolarHBondContact OD1-CA 3.47Å; N78-P195 WeakPolarHBondContact OD1-CD 3.19Å |
| 79 | P | 98.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.032 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.7 | -34.1 | 175.6 | -30.1 | 37.6 | 0 | 0 | 0 | 114.2 | T82 L83 I100 Q103 N194 P195 A196 | P79-T82 PolarHBondContact O-N 3.4Å; P79-L83 WeakPolarHBondContact O-CB 3.39Å; P79-L83 PolarHBondContact O-N 2.9Å; P79-I100 HydrophobicContact CB-CG1 3.99Å; P79-I100 HydrophobicContact CB-CG2 4.18Å; P79-I100 HydrophobicContact CG-CG1 4.48Å; P79-I100 HydrophobicContact CG-CG2 4.18Å; P79-Q103 VanDerWaalsContact CD-OE1 3.28Å; P79-Q103 VanDerWaalsContact N-OE1 3.07Å; P79-N194 VanDerWaalsContact CD-OD1 3.32Å; P79-N194 WeakPolarHBondContact CD-OD1 3.43Å; P79-P195 HydrophobicContact CB-CB 4.18Å; P79-P195 HydrophobicContact CB-CG 4.08Å; P79-P195 HydrophobicContact CG-CB 4.2Å; P79-A196 HydrophobicContact CG-CB 3.65Å |
| 80 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69 | -38.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | N78 L83 G84 T148 P218 | N78-A80 VanDerWaalsContact C-N 3.27Å; N78-A80 PolarHBondContact O-N 2.84Å; N78-A80 WeakPolarHBondContact OD1-CB 3.28Å; N78-A80 PolarHBondContact OD1-N 2.84Å; A80-L83 PolarHBondContact O-N 3.23Å; A80-G84 PolarHBondContact O-N 2.7Å; A80-T148 HydrophobicContact CB-CG2 3.63Å; A80-P218 HydrophobicContact CB-CB 3.75Å |
| 81 | V | 98.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 23.8 Ų | 23.8 | 5% | 0.048 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.7 | -44.5 | 172.8 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | H76 N78 L83 G84 L85 L151 V152 V155 | H76-V81 HydrophobicContact CB-CG1 4.49Å; N78-V81 HydrophobicContact CB-CB 3.99Å; N78-V81 HydrophobicContact CB-CG2 3.77Å; N78-V81 PolarHBondContact O-N 3.42Å; V81-L83 VanDerWaalsContact C-N 3.31Å; V81-L83 PolarHBondContact O-N 3.27Å; V81-G84 PolarHBondContact O-N 3.06Å; V81-L85 HydrophobicContact CG1-CD1 4.13Å; V81-L85 PolarHBondContact O-N 2.89Å; V81-L151 HydrophobicContact CG2-CD2 4.21Å; V81-L151 HydrophobicContact CG2-CG 4.27Å; V81-V152 HydrophobicContact CG2-CG2 4.13Å; V81-V155 HydrophobicContact CG1-CB 4.37Å; V81-V155 HydrophobicContact CG1-CG1 3.9Å; V81-V155 HydrophobicContact CG1-CG2 4.07Å; V81-V155 HydrophobicContact CG2-CG2 4.29Å |
| 82 | T | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.2 | -43.2 | 177.4 | -55.7 | 0 | 0 | 0 | 0 | 111.8 | H76 N78 P79 L85 L86 A96 I100 Q103 | H76-T82 WeakPolarHBondContact CB-OG1 3.39Å; H76-T82 WeakPolarHBondContact ND1-CA 3.46Å; H76-T82 PolarHBondContact ND1-OG1 2.91Å; N78-T82 PolarHBondContact O-N 2.83Å; N78-T82 PolarHBondContact O-OG1 2.95Å; P79-T82 PolarHBondContact O-N 3.4Å; T82-L85 PolarHBondContact O-N 3.27Å; T82-L86 WeakPolarHBondContact O-CB 3.49Å; T82-L86 PolarHBondContact O-N 3.24Å; T82-A96 HydrophobicContact CG2-CB 3.71Å; T82-I100 HydrophobicContact CG2-CD1 4.41Å; T82-I100 HydrophobicContact CG2-CG1 4.11Å; T82-Q103 PolarHBondContact OG1-NE2 3.4Å; T82-Q103 VanDerWaalsContact OG1-NE2 3.12Å |
| 83 | L | 97.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 17.9 Ų | 17.9 | 21% | 0.209 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.9 | -41.4 | 175.7 | -176.8 | 64.3 | 0 | 0 | 0 | 112.2 | P79 A80 V81 L85 L86 L87 I219 | P79-L83 WeakPolarHBondContact O-CB 3.39Å; P79-L83 PolarHBondContact O-N 2.9Å; A80-L83 PolarHBondContact O-N 3.23Å; V81-L83 VanDerWaalsContact C-N 3.31Å; V81-L83 PolarHBondContact O-N 3.27Å; L83-L85 VanDerWaalsContact C-N 3.33Å; L83-L85 PolarHBondContact O-N 2.82Å; L83-L86 HydrophobicContact CD1-CD2 4.22Å; L83-L86 WeakPolarHBondContact O-CB 3.4Å; L83-L86 PolarHBondContact O-N 3.36Å; L83-L86 VanDerWaalsContact O-N 3.16Å; L83-L87 HydrophobicContact CD1-CD1 4.4Å; L83-L87 HydrophobicContact CD1-CG 4.32Å; L83-L87 HydrophobicContact CG-CD1 4.09Å; L83-L87 HydrophobicContact CG-CG 4.43Å; L83-L87 WeakPolarHBondContact O-CG 3.17Å; L83-L87 PolarHBondContact O-N 3.08Å; L83-I219 HydrophobicContact CD2-CB 4.08Å; L83-I219 HydrophobicContact CD2-CG1 3.91Å; L83-I219 HydrophobicContact CD2-CG2 3.59Å |
| 84 | G | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.5 | -45.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A80 V81 L87 S88 | A80-G84 PolarHBondContact O-N 2.7Å; V81-G84 PolarHBondContact O-N 3.06Å; G84-L87 PolarHBondContact O-N 3.5Å; G84-S88 VanDerWaalsContact O-CB 3.28Å; G84-S88 WeakPolarHBondContact O-CB 3.28Å; G84-S88 PolarHBondContact O-N 3.28Å |
| 85 | L | 95.7 | Very high | 95.6 | Very high | 14 Ų | 14 | 18.2 Ų | 18.2 | 7% | 0.073 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -67.5 | -34.5 | 175.5 | -72.3 | 169.1 | 0 | 0 | 0 | 112.5 | H76 V81 T82 L83 S88 C89 Q90 I91 V155 L156 | H76-L85 WeakPolarHBondContact CE1-CD1 3.38Å; H76-L85 WeakPolarHBondContact NE2-CD1 3.39Å; V81-L85 HydrophobicContact CG1-CD1 4.13Å; V81-L85 PolarHBondContact O-N 2.89Å; T82-L85 PolarHBondContact O-N 3.27Å; L83-L85 VanDerWaalsContact C-N 3.33Å; L83-L85 PolarHBondContact O-N 2.82Å; L85-S88 CarbonylContact O-C 3.52Å; L85-S88 PolarHBondContact O-N 3.43Å; L85-C89 PolarHBondContact O-N 2.94Å; L85-Q90 HydrophobicContact CB-CB 4.44Å; L85-Q90 HydrophobicContact CD2-CB 4.14Å; L85-Q90 HydrophobicContact CD2-CG 4.35Å; L85-Q90 PolarHBondContact O-N 3.38Å; L85-I91 HydrophobicContact CB-CG2 4.16Å; L85-V155 HydrophobicContact CD1-CG1 4.35Å; L85-L156 HydrophobicContact CD2-CD2 3.89Å |
| 86 | L | 95.8 | Very high | 95.6 | Very high | 26 Ų | 26 | 17.8 Ų | 17.8 | 14% | 0.136 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -63.6 | -47.9 | 174.6 | 179.9 | 64.6 | 0 | 0 | 0 | 111.4 | T82 L83 S88 C89 I91 I93 A96 W247 | T82-L86 WeakPolarHBondContact O-CB 3.49Å; T82-L86 PolarHBondContact O-N 3.24Å; L83-L86 HydrophobicContact CD1-CD2 4.22Å; L83-L86 WeakPolarHBondContact O-CB 3.4Å; L83-L86 PolarHBondContact O-N 3.36Å; L83-L86 VanDerWaalsContact O-N 3.16Å; L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 PolarHBondContact O-N 3.14Å; L86-C89 WeakPolarHBondContact O-CA 3.39Å; L86-C89 PolarHBondContact O-N 2.92Å; L86-I91 HydrophobicContact CB-CG2 3.86Å; L86-I91 HydrophobicContact CD1-CG2 4.18Å; L86-I91 WeakPolarHBondContact CD1-O 3.41Å; L86-I93 HydrophobicContact CD1-CB 4.42Å; L86-I93 HydrophobicContact CD1-CG1 3.83Å; L86-A96 HydrophobicContact CB-CB 4.36Å; L86-A96 HydrophobicContact CD1-CB 4.19Å; L86-A96 HydrophobicContact CD2-CB 4.09Å; L86-A96 HydrophobicContact CG-CB 4.45Å; L86-W247 PolarHBondContact O-NE1 3.1Å |
| 87 | L | 95.1 | Very high | 95.5 | Very high | 71 Ų | 71 | 21.3 Ų | 21.3 | 37% | 0.372 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -66.3 | -32 | 177.3 | -68.7 | 172.2 | 0 | 0 | 0 | 111.9 | L83 G84 C89 A223 A226 | L83-L87 HydrophobicContact CD1-CD1 4.4Å; L83-L87 HydrophobicContact CD1-CG 4.32Å; L83-L87 HydrophobicContact CG-CD1 4.09Å; L83-L87 HydrophobicContact CG-CG 4.43Å; L83-L87 WeakPolarHBondContact O-CG 3.17Å; L83-L87 PolarHBondContact O-N 3.08Å; G84-L87 PolarHBondContact O-N 3.5Å; L87-C89 PolarHBondContact O-N 2.96Å; L87-A223 HydrophobicContact CD1-CB 3.45Å; L87-A223 VanDerWaalsContact CD1-CB 3.45Å; L87-A226 HydrophobicContact CB-CB 4Å |
| 88 | S | 92.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -0.9 | 170.7 | -170.3 | 0 | 0 | 0 | 0 | 113.5 | G84 L85 L86 Q90 D230 R236 R243 | G84-S88 VanDerWaalsContact O-CB 3.28Å; G84-S88 WeakPolarHBondContact O-CB 3.28Å; G84-S88 PolarHBondContact O-N 3.28Å; L85-S88 CarbonylContact O-C 3.52Å; L85-S88 PolarHBondContact O-N 3.43Å; L86-S88 VanDerWaalsContact C-N 3.26Å; L86-S88 PolarHBondContact O-N 3.14Å; S88-Q90 VanDerWaalsContact C-N 3.3Å; S88-Q90 PolarHBondContact O-N 3.39Å; S88-Q90 PolarHBondContact OG-NE2 3.49Å; S88-D230 WeakPolarHBondContact CA-OD2 3.24Å; S88-D230 WeakPolarHBondContact CB-OD2 3.36Å; S88-D230 PolarHBondContact OG-OD1 2.98Å; S88-D230 PolarHBondContact OG-OD2 3.06Å; S88-R236 PolarHBondContact O-NH1 3.11Å; S88-R236 PolarHBondContact OG-NH2 3.5Å; S88-R243 PolarHBondContact O-NH2 2.88Å |
| 89 | C | 91.6 | Very high | 95.5 | Very high | 7 Ų | 7 | 22.8 Ų | 22.8 | 5% | 0.047 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 40.9 | -177.1 | -55.7 | 0 | 0 | 0 | 0 | 112.5 | L85 L86 L87 R243 V246 | L85-C89 PolarHBondContact O-N 2.94Å; L86-C89 WeakPolarHBondContact O-CA 3.39Å; L86-C89 PolarHBondContact O-N 2.92Å; L87-C89 PolarHBondContact O-N 2.96Å; C89-R243 HydrophobicContact CB-CB 3.95Å; C89-R243 WeakPolarHBondContact CB-O 3.32Å; C89-V246 WeakPolarHBondContact O-CG1 3.34Å |
| 90 | Q | 89.7 | Confident | 95.5 | Very high | 30 Ų | 30 | 24.8 Ų | 24.8 | 14% | 0.14 | 13% | 0.127 | C | C | . | . | trans | -104.7 | -9.9 | 178.8 | -59.5 | -169.3 | 40.8 | 0 | 0 | 113.3 | L85 S88 Q251 | L85-Q90 HydrophobicContact CB-CB 4.44Å; L85-Q90 HydrophobicContact CD2-CB 4.14Å; L85-Q90 HydrophobicContact CD2-CG 4.35Å; L85-Q90 PolarHBondContact O-N 3.38Å; S88-Q90 VanDerWaalsContact C-N 3.3Å; S88-Q90 PolarHBondContact O-N 3.39Å; S88-Q90 PolarHBondContact OG-NE2 3.49Å; Q90-Q251 VanDerWaalsContact O-CG 3.27Å; Q90-Q251 WeakPolarHBondContact O-CG 3.34Å; Q90-Q251 PolarHBondContact O-NE2 3.24Å | ||
| 91 | I | 92.3 | Very high | 95.5 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -140.5 | 151.5 | -179.8 | -173.7 | 166.6 | 0 | 0 | 0 | 109.5 | L85 L86 K95 A96 Y99 | L85-I91 HydrophobicContact CB-CG2 4.16Å; L86-I91 HydrophobicContact CB-CG2 3.86Å; L86-I91 HydrophobicContact CD1-CG2 4.18Å; L86-I91 WeakPolarHBondContact CD1-O 3.41Å; I91-K95 HydrophobicContact CD1-CB 4.01Å; I91-K95 HydrophobicContact CD1-CD 4.02Å; I91-K95 HydrophobicContact CD1-CG 3.81Å; I91-K95 HydrophobicContact CG1-CB 3.78Å; I91-K95 HydrophobicContact CG1-CD 3.96Å; I91-K95 HydrophobicContact CG1-CG 4Å; I91-A96 HydrophobicContact CD1-CB 4.45Å; I91-A96 HydrophobicContact CG2-CB 4.24Å; I91-Y99 HydrophobicContact CD1-CD2 4.06Å; I91-Y99 HydrophobicContact CD1-CE2 4.07Å |
| 92 | S | 94 | Very high | 95.6 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.007 | 15% | 0.146 | C | C | . | . | trans | -71.5 | 153.4 | 173.9 | 75.2 | 0 | 0 | 0 | 0 | 111.3 | E4 F94 K95 A96 V246 | E4-S92 PolarHBondContact OE1-OG 3.4Å; E4-S92 WeakPolarHBondContact OE2-CB 3.49Å; E4-S92 PolarHBondContact OE2-OG 3.11Å; S92-F94 PolarHBondContact O-N 2.88Å; S92-K95 PolarHBondContact O-N 3.3Å; S92-K95 VanDerWaalsContact OG-CB 3.26Å; S92-K95 WeakPolarHBondContact OG-CB 3.32Å; S92-K95 PolarHBondContact OG-N 2.98Å; S92-A96 WeakPolarHBondContact O-CB 3.32Å; S92-A96 PolarHBondContact O-N 3.48Å; S92-V246 WeakPolarHBondContact CA-O 3.23Å | ||
| 93 | I | 94.9 | Very high | 95.6 | Very high | 87 Ų | 87 | 28.3 Ų | 28.3 | 45% | 0.446 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -58.8 | -39.3 | 175.9 | -67 | 168.7 | 0 | 0 | 0 | 110.2 | L86 A96 L97 W247 | L86-I93 HydrophobicContact CD1-CB 4.42Å; L86-I93 HydrophobicContact CD1-CG1 3.83Å; I93-A96 PolarHBondContact O-N 3.44Å; I93-L97 WeakPolarHBondContact O-CB 3.38Å; I93-L97 PolarHBondContact O-N 3.46Å; I93-W247 HydrophobicContact CD1-CB 3.79Å; I93-W247 HydrophobicContact CD1-CD2 4.31Å; I93-W247 HydrophobicContact CD1-CE3 4.38Å; I93-W247 HydrophobicContact CD1-CG 4.09Å; I93-W247 HydrophobicContact CG1-CB 3.87Å; I93-W247 HydrophobicContact CG1-CG 4.03Å; I93-W247 PolarHBondContact N-O 3.01Å; I93-W247 VanDerWaalsContact N-O 3.11Å |
| 94 | F | 93.3 | Very high | 95.6 | Very high | 42 Ų | 42 | 27.2 Ų | 27.2 | 18% | 0.184 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.4 | -45.8 | -178.5 | -176.1 | -112.5 | 0 | 0 | 0 | 112.5 | M1 F5 F10 S92 L97 M98 | M1-F94 HydrophobicContact CG-CB 4.01Å; M1-F94 HydrophobicContact CG-CG 4.48Å; M1-F94 HydrophobicContact SD-CB 4.3Å; F5-F94 HydrophobicContact CB-CE1 4.2Å; F5-F94 HydrophobicContact CD2-CE1 4.25Å; F5-F94 AromaticContact CD2-CZ 3.94Å; F5-F94 HydrophobicContact CD2-CZ 3.94Å; F10-F94 AromaticContact CE1-CE1 3.84Å; F10-F94 HydrophobicContact CE1-CE1 3.84Å; F10-F94 AromaticContact CE2-CD1 3.86Å; F10-F94 HydrophobicContact CE2-CD1 3.86Å; F10-F94 AromaticContact CE2-CE1 3.99Å; F10-F94 HydrophobicContact CE2-CE1 3.99Å; F10-F94 AromaticContact CZ-CD1 3.64Å; F10-F94 HydrophobicContact CZ-CD1 3.64Å; F10-F94 AromaticContact CZ-CE1 3.35Å; F10-F94 HydrophobicContact CZ-CE1 3.35Å; F10-F94 HydrophobicContact CZ-CZ 4.23Å; S92-F94 PolarHBondContact O-N 2.88Å; F94-L97 PolarHBondContact O-N 3.16Å; F94-M98 HydrophobicContact CE1-CG 4.31Å; F94-M98 HydrophobicContact CE2-CG 4.16Å; F94-M98 HydrophobicContact CZ-CG 3.98Å; F94-M98 HydrophobicContact CZ-SD 4.47Å; F94-M98 WeakPolarHBondContact O-CG 3.13Å; F94-M98 PolarHBondContact O-N 3.03Å |
| 95 | K | 93.7 | Very high | 95.7 | Very high | 10 Ų | 10 | 31.9 Ų | 31.9 | 4% | 0.043 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 176.3 | -167.1 | 176.2 | 162.3 | 179.3 | 0 | 110.9 | F10 I91 S92 L97 M98 Y99 E254 | F10-K95 HydrophobicContact CD2-CB 4.46Å; F10-K95 HydrophobicContact CD2-CG 4.19Å; F10-K95 HydrophobicContact CE2-CB 3.77Å; F10-K95 HydrophobicContact CE2-CG 3.83Å; I91-K95 HydrophobicContact CD1-CB 4.01Å; I91-K95 HydrophobicContact CD1-CD 4.02Å; I91-K95 HydrophobicContact CD1-CG 3.81Å; I91-K95 HydrophobicContact CG1-CB 3.78Å; I91-K95 HydrophobicContact CG1-CD 3.96Å; I91-K95 HydrophobicContact CG1-CG 4Å; S92-K95 PolarHBondContact O-N 3.3Å; S92-K95 VanDerWaalsContact OG-CB 3.26Å; S92-K95 WeakPolarHBondContact OG-CB 3.32Å; S92-K95 PolarHBondContact OG-N 2.98Å; K95-L97 PolarHBondContact O-N 2.82Å; K95-M98 PolarHBondContact O-N 3.47Å; K95-Y99 HydrophobicContact CD-CE1 4.42Å; K95-Y99 VanDerWaalsContact CE-CZ 3.42Å; K95-Y99 WeakPolarHBondContact CE-OH 3.28Å; K95-Y99 HydrophobicContact CG-CD1 4.1Å; K95-Y99 HydrophobicContact CG-CE1 3.71Å; K95-Y99 WeakPolarHBondContact O-CB 3.33Å; K95-Y99 VanDerWaalsContact O-CD1 3.29Å; K95-Y99 WeakPolarHBondContact O-CD1 3.4Å; K95-Y99 PolarHBondContact O-N 3.3Å; K95-E254 IonicContact NZ-OE1 3.03Å; K95-E254 PolarHBondContact NZ-OE1 2.85Å; K95-E254 IonicContact NZ-OE2 2.79Å; K95-E254 PolarHBondContact NZ-OE2 3.29Å |
| 96 | A | 96.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 2% | 0.017 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.3 | -45.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | T82 L86 I91 S92 I93 Y99 I100 | T82-A96 HydrophobicContact CG2-CB 3.71Å; L86-A96 HydrophobicContact CB-CB 4.36Å; L86-A96 HydrophobicContact CD1-CB 4.19Å; L86-A96 HydrophobicContact CD2-CB 4.09Å; L86-A96 HydrophobicContact CG-CB 4.45Å; I91-A96 HydrophobicContact CD1-CB 4.45Å; I91-A96 HydrophobicContact CG2-CB 4.24Å; S92-A96 WeakPolarHBondContact O-CB 3.32Å; S92-A96 PolarHBondContact O-N 3.48Å; I93-A96 PolarHBondContact O-N 3.44Å; A96-Y99 PolarHBondContact O-N 2.99Å; A96-I100 VanDerWaalsContact O-CG1 3.29Å; A96-I100 WeakPolarHBondContact O-CG1 3.23Å; A96-I100 PolarHBondContact O-N 3.47Å |
| 97 | L | 97.1 | Very high | 96 | Very high | 95 Ų | 95 | 30 Ų | 30 | 50% | 0.497 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -61.6 | -47.4 | 177.5 | 179.9 | 62.4 | 0 | 0 | 0 | 111.9 | I93 F94 K95 Y99 I100 I101 | I93-L97 WeakPolarHBondContact O-CB 3.38Å; I93-L97 PolarHBondContact O-N 3.46Å; F94-L97 PolarHBondContact O-N 3.16Å; K95-L97 PolarHBondContact O-N 2.82Å; L97-Y99 VanDerWaalsContact C-N 3.3Å; L97-Y99 PolarHBondContact O-N 3.43Å; L97-I100 PolarHBondContact O-N 3.13Å; L97-I101 HydrophobicContact CD1-CD1 4.25Å; L97-I101 HydrophobicContact CG-CD1 4.13Å; L97-I101 WeakPolarHBondContact O-CG1 3.37Å; L97-I101 PolarHBondContact O-N 2.92Å; L97-I101 VanDerWaalsContact O-N 3.08Å |
| 98 | M | 97.4 | Very high | 96.2 | Very high | 37 Ų | 37 | 27.8 Ų | 27.8 | 18% | 0.182 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.6 | -35.4 | 179.2 | -70.8 | -59.7 | -64.5 | 0 | 0 | 112.4 | F10 W11 V14 F94 K95 I101 A102 | F10-M98 HydrophobicContact CE1-CB 4.49Å; F10-M98 HydrophobicContact CE1-CG 4.24Å; F10-M98 HydrophobicContact CZ-CB 3.95Å; F10-M98 HydrophobicContact CZ-CG 3.78Å; W11-M98 HydrophobicContact CH2-CE 3.75Å; W11-M98 HydrophobicContact CZ3-CE 3.56Å; V14-M98 HydrophobicContact CG1-CE 4.39Å; V14-M98 HydrophobicContact CG2-CB 3.93Å; F94-M98 HydrophobicContact CE1-CG 4.31Å; F94-M98 HydrophobicContact CE2-CG 4.16Å; F94-M98 HydrophobicContact CZ-CG 3.98Å; F94-M98 HydrophobicContact CZ-SD 4.47Å; F94-M98 WeakPolarHBondContact O-CG 3.13Å; F94-M98 PolarHBondContact O-N 3.03Å; K95-M98 PolarHBondContact O-N 3.47Å; M98-I101 HydrophobicContact SD-CD1 4.49Å; M98-A102 VanDerWaalsContact O-CB 3.31Å; M98-A102 WeakPolarHBondContact O-CB 3.45Å; M98-A102 PolarHBondContact O-N 3.27Å |
| 99 | Y | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.3 | -47.9 | 173.7 | -83.8 | 24.4 | 0 | 0 | 0 | 111.7 | A13 V14 E17 S73 H76 I91 K95 A96 L97 I101 A102 Q103 | A13-Y99 HydrophobicContact CB-CE1 4.15Å; A13-Y99 VanDerWaalsContact CB-OH 3.31Å; A13-Y99 WeakPolarHBondContact CB-OH 3.38Å; V14-Y99 HydrophobicContact CG2-CD1 4.15Å; V14-Y99 HydrophobicContact CG2-CE1 4.16Å; E17-Y99 HydrophobicContact CG-CD1 3.94Å; E17-Y99 HydrophobicContact CG-CD2 3.74Å; E17-Y99 HydrophobicContact CG-CE1 4.02Å; E17-Y99 HydrophobicContact CG-CE2 3.82Å; E17-Y99 HydrophobicContact CG-CG 3.8Å; S73-Y99 WeakPolarHBondContact CA-OH 3.49Å; S73-Y99 WeakPolarHBondContact CB-OH 3.44Å; S73-Y99 VanDerWaalsContact O-CE2 3.24Å; S73-Y99 WeakPolarHBondContact O-CE2 3.23Å; S73-Y99 PolarHBondContact O-OH 3.32Å; H76-Y99 HydrophobicContact CB-CD2 4.31Å; H76-Y99 AromaticContact CG-CD2 3.91Å; H76-Y99 AromaticContact ND1-CD2 3.71Å; I91-Y99 HydrophobicContact CD1-CD2 4.06Å; I91-Y99 HydrophobicContact CD1-CE2 4.07Å; K95-Y99 HydrophobicContact CD-CE1 4.42Å; K95-Y99 VanDerWaalsContact CE-CZ 3.42Å; K95-Y99 WeakPolarHBondContact CE-OH 3.28Å; K95-Y99 HydrophobicContact CG-CD1 4.1Å; K95-Y99 HydrophobicContact CG-CE1 3.71Å; K95-Y99 WeakPolarHBondContact O-CB 3.33Å; K95-Y99 VanDerWaalsContact O-CD1 3.29Å; K95-Y99 WeakPolarHBondContact O-CD1 3.4Å; K95-Y99 PolarHBondContact O-N 3.3Å; A96-Y99 PolarHBondContact O-N 2.99Å; L97-Y99 VanDerWaalsContact C-N 3.3Å; L97-Y99 PolarHBondContact O-N 3.43Å; Y99-I101 VanDerWaalsContact C-N 3.29Å; Y99-I101 PolarHBondContact O-N 3.4Å; Y99-A102 PolarHBondContact O-N 3.42Å; Y99-Q103 WeakPolarHBondContact O-CB 3.32Å; Y99-Q103 VanDerWaalsContact O-CD 3.28Å; Y99-Q103 WeakPolarHBondContact O-CG 3.35Å; Y99-Q103 PolarHBondContact O-N 2.87Å |
| 100 | I | 98.8 | Very high | 96.8 | Very high | 46 Ų | 46 | 30.3 Ų | 30.3 | 24% | 0.236 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -43 | 179.1 | -68.7 | 168.1 | 0 | 0 | 0 | 110.6 | P79 T82 A96 L97 Q103 C104 | P79-I100 HydrophobicContact CB-CG1 3.99Å; P79-I100 HydrophobicContact CB-CG2 4.18Å; P79-I100 HydrophobicContact CG-CG1 4.48Å; P79-I100 HydrophobicContact CG-CG2 4.18Å; T82-I100 HydrophobicContact CG2-CD1 4.41Å; T82-I100 HydrophobicContact CG2-CG1 4.11Å; A96-I100 VanDerWaalsContact O-CG1 3.29Å; A96-I100 WeakPolarHBondContact O-CG1 3.23Å; A96-I100 PolarHBondContact O-N 3.47Å; L97-I100 PolarHBondContact O-N 3.13Å; I100-Q103 PolarHBondContact O-N 3.35Å; I100-C104 WeakPolarHBondContact O-CB 3.26Å; I100-C104 PolarHBondContact O-N 2.97Å; I100-C104 PolarHBondContact O-SG 3.31Å; I100-C104 VanDerWaalsContact O-SG 3.33Å |
| 101 | I | 98.6 | Very high | 97.2 | Very high | 76 Ų | 76 | 28.9 Ų | 28.9 | 39% | 0.39 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.1 | -49.5 | 175.9 | -65.7 | 166.5 | 0 | 0 | 0 | 110.5 | L97 M98 Y99 Q103 C104 L105 | L97-I101 HydrophobicContact CD1-CD1 4.25Å; L97-I101 HydrophobicContact CG-CD1 4.13Å; L97-I101 WeakPolarHBondContact O-CG1 3.37Å; L97-I101 PolarHBondContact O-N 2.92Å; L97-I101 VanDerWaalsContact O-N 3.08Å; M98-I101 HydrophobicContact SD-CD1 4.49Å; Y99-I101 VanDerWaalsContact C-N 3.29Å; Y99-I101 PolarHBondContact O-N 3.4Å; I101-Q103 VanDerWaalsContact C-N 3.32Å; I101-Q103 PolarHBondContact O-N 2.96Å; I101-C104 PolarHBondContact O-N 3.24Å; I101-L105 HydrophobicContact CG2-CD1 3.91Å; I101-L105 HydrophobicContact CG2-CG 4.37Å; I101-L105 WeakPolarHBondContact O-CB 3.34Å; I101-L105 WeakPolarHBondContact O-CG 3.46Å; I101-L105 PolarHBondContact O-N 3.18Å |
| 102 | A | 98.7 | Very high | 97.5 | Very high | 7 Ų | 7 | 30.9 Ų | 30.9 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.7 | -41.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V14 E17 F18 M98 Y99 L105 G106 | V14-A102 HydrophobicContact CG1-CB 3.94Å; E17-A102 HydrophobicContact CB-CB 4.21Å; F18-A102 HydrophobicContact CB-CB 4.08Å; M98-A102 VanDerWaalsContact O-CB 3.31Å; M98-A102 WeakPolarHBondContact O-CB 3.45Å; M98-A102 PolarHBondContact O-N 3.27Å; Y99-A102 PolarHBondContact O-N 3.42Å; A102-L105 PolarHBondContact O-N 2.83Å; A102-G106 PolarHBondContact O-N 3.34Å |
| 103 | Q | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.2 | -49.2 | 176.6 | -69.8 | 158.2 | 6 | 0 | 0 | 111.1 | E17 M21 P79 T82 Y99 I100 I101 L105 G106 A107 A196 | E17-Q103 PolarHBondContact OE2-NE2 3.06Å; M21-Q103 HydrophobicContact CG-CB 4.31Å; M21-Q103 VanDerWaalsContact CG-O 3.23Å; M21-Q103 WeakPolarHBondContact CG-O 3.13Å; P79-Q103 VanDerWaalsContact CD-OE1 3.28Å; P79-Q103 VanDerWaalsContact N-OE1 3.07Å; T82-Q103 PolarHBondContact OG1-NE2 3.4Å; T82-Q103 VanDerWaalsContact OG1-NE2 3.12Å; Y99-Q103 WeakPolarHBondContact O-CB 3.32Å; Y99-Q103 VanDerWaalsContact O-CD 3.28Å; Y99-Q103 WeakPolarHBondContact O-CG 3.35Å; Y99-Q103 PolarHBondContact O-N 2.87Å; I100-Q103 PolarHBondContact O-N 3.35Å; I101-Q103 VanDerWaalsContact C-N 3.32Å; I101-Q103 PolarHBondContact O-N 2.96Å; Q103-L105 VanDerWaalsContact C-N 3.34Å; Q103-L105 PolarHBondContact O-N 2.81Å; Q103-G106 PolarHBondContact O-N 3.3Å; Q103-A107 PolarHBondContact O-N 3.35Å; Q103-A196 HydrophobicContact CB-CB 3.99Å |
| 104 | C | 98.8 | Very high | 97.8 | Very high | 16 Ų | 16 | 31.3 Ų | 31.3 | 11% | 0.108 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.7 | -44.3 | 177.1 | -71.8 | 0 | 0 | 0 | 0 | 111.8 | I100 I101 A107 V108 F199 | I100-C104 WeakPolarHBondContact O-CB 3.26Å; I100-C104 PolarHBondContact O-N 2.97Å; I100-C104 PolarHBondContact O-SG 3.31Å; I100-C104 VanDerWaalsContact O-SG 3.33Å; I101-C104 PolarHBondContact O-N 3.24Å; C104-A107 PolarHBondContact O-N 2.94Å; C104-V108 VanDerWaalsContact O-CG2 3.26Å; C104-V108 WeakPolarHBondContact O-CG2 3.48Å; C104-V108 PolarHBondContact O-N 2.82Å; C104-F199 HydrophobicContact CB-CD1 4.05Å; C104-F199 HydrophobicContact CB-CE1 4.3Å |
| 105 | L | 98.8 | Very high | 98 | Very high | 98 Ų | 98 | 31.6 Ų | 31.6 | 51% | 0.513 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.4 | -42.4 | 176.7 | -70.1 | 175.6 | 0 | 0 | 0 | 112 | F18 I101 A102 Q103 A107 V108 V109 | F18-L105 HydrophobicContact CD2-CB 3.96Å; F18-L105 HydrophobicContact CE2-CB 4.04Å; I101-L105 HydrophobicContact CG2-CD1 3.91Å; I101-L105 HydrophobicContact CG2-CG 4.37Å; I101-L105 WeakPolarHBondContact O-CB 3.34Å; I101-L105 WeakPolarHBondContact O-CG 3.46Å; I101-L105 PolarHBondContact O-N 3.18Å; A102-L105 PolarHBondContact O-N 2.83Å; Q103-L105 VanDerWaalsContact C-N 3.34Å; Q103-L105 PolarHBondContact O-N 2.81Å; L105-A107 PolarHBondContact O-N 3.27Å; L105-V108 PolarHBondContact O-N 2.95Å; L105-V109 WeakPolarHBondContact O-CB 3.15Å; L105-V109 VanDerWaalsContact O-CG2 3.32Å; L105-V109 WeakPolarHBondContact O-CG2 3.29Å; L105-V109 PolarHBondContact O-N 2.69Å |
| 106 | G | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S22 A102 Q103 V109 A110 | S22-G106 WeakPolarHBondContact CA-O 3.42Å; S22-G106 VanDerWaalsContact OG-CA 3.25Å; S22-G106 WeakPolarHBondContact OG-CA 3.49Å; S22-G106 PolarHBondContact OG-O 3.02Å; A102-G106 PolarHBondContact O-N 3.34Å; Q103-G106 PolarHBondContact O-N 3.3Å; G106-V109 PolarHBondContact O-N 2.77Å; G106-A110 WeakPolarHBondContact O-CB 3.38Å; G106-A110 PolarHBondContact O-N 2.81Å |
| 107 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.6 | -45.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | M21 I25 Q103 C104 L105 A110 T111 A196 | M21-A107 HydrophobicContact CE-CB 3.86Å; M21-A107 HydrophobicContact CG-CB 4.38Å; I25-A107 HydrophobicContact CG1-CB 4Å; Q103-A107 PolarHBondContact O-N 3.35Å; C104-A107 PolarHBondContact O-N 2.94Å; L105-A107 PolarHBondContact O-N 3.27Å; A107-A110 PolarHBondContact O-N 3Å; A107-T111 WeakPolarHBondContact O-CB 3.3Å; A107-T111 PolarHBondContact O-N 3.44Å; A107-T111 PolarHBondContact O-OG1 3.13Å; A107-A196 HydrophobicContact CB-CB 4.48Å; A107-A196 WeakPolarHBondContact CB-O 3.34Å |
| 108 | V | 98.8 | Very high | 97.8 | Very high | 26 Ų | 26 | 33.8 Ų | 33.8 | 16% | 0.158 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61 | -47.6 | 177.3 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | C104 L105 A110 T111 A112 F199 L203 I204 | C104-V108 VanDerWaalsContact O-CG2 3.26Å; C104-V108 WeakPolarHBondContact O-CG2 3.48Å; C104-V108 PolarHBondContact O-N 2.82Å; L105-V108 PolarHBondContact O-N 2.95Å; V108-A110 PolarHBondContact O-N 3.01Å; V108-T111 PolarHBondContact O-N 3.25Å; V108-A112 VanDerWaalsContact O-CB 3.32Å; V108-A112 WeakPolarHBondContact O-CB 3.41Å; V108-A112 PolarHBondContact O-N 3.18Å; V108-F199 HydrophobicContact CG2-CD1 3.97Å; V108-F199 HydrophobicContact CG2-CE1 3.76Å; V108-L203 HydrophobicContact CB-CD2 4.45Å; V108-L203 HydrophobicContact CG1-CD2 3.9Å; V108-L203 HydrophobicContact CG2-CB 4.47Å; V108-L203 HydrophobicContact CG2-CD2 3.6Å; V108-I204 HydrophobicContact CG1-CD1 4.03Å |
| 109 | V | 98.8 | Very high | 97.6 | Very high | 59 Ų | 59 | 36.5 Ų | 36.5 | 36% | 0.358 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.2 | -46.5 | 179.3 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | F18 L105 G106 A112 I113 | F18-V109 HydrophobicContact CE2-CB 4.4Å; F18-V109 HydrophobicContact CE2-CG2 4.02Å; F18-V109 HydrophobicContact CZ-CB 4.37Å; F18-V109 HydrophobicContact CZ-CG1 4.41Å; F18-V109 HydrophobicContact CZ-CG2 4.09Å; L105-V109 WeakPolarHBondContact O-CB 3.15Å; L105-V109 VanDerWaalsContact O-CG2 3.32Å; L105-V109 WeakPolarHBondContact O-CG2 3.29Å; L105-V109 PolarHBondContact O-N 2.69Å; G106-V109 PolarHBondContact O-N 2.77Å; V109-A112 PolarHBondContact O-N 3.02Å; V109-I113 HydrophobicContact CG1-CD1 3.79Å; V109-I113 VanDerWaalsContact O-CG1 3.26Å; V109-I113 WeakPolarHBondContact O-CG1 3.32Å; V109-I113 PolarHBondContact O-N 3Å |
| 110 | A | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | S22 I25 F26 G106 A107 V108 A112 I113 L114 | S22-A110 WeakPolarHBondContact O-CB 3.21Å; I25-A110 HydrophobicContact CB-CB 3.74Å; I25-A110 HydrophobicContact CG2-CB 3.7Å; F26-A110 HydrophobicContact CB-CB 4.15Å; G106-A110 WeakPolarHBondContact O-CB 3.38Å; G106-A110 PolarHBondContact O-N 2.81Å; A107-A110 PolarHBondContact O-N 3Å; V108-A110 PolarHBondContact O-N 3.01Å; A110-A112 VanDerWaalsContact C-N 3.34Å; A110-A112 PolarHBondContact O-N 2.98Å; A110-I113 PolarHBondContact O-N 3.33Å; A110-L114 WeakPolarHBondContact O-CB 3.24Å; A110-L114 PolarHBondContact O-N 3.49Å |
| 111 | T | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.5 | -39.2 | 178.5 | -59.2 | 0 | 0 | 0 | 0 | 111.5 | A107 V108 L114 S115 L126 I204 | A107-T111 WeakPolarHBondContact O-CB 3.3Å; A107-T111 PolarHBondContact O-N 3.44Å; A107-T111 PolarHBondContact O-OG1 3.13Å; V108-T111 PolarHBondContact O-N 3.25Å; T111-L114 PolarHBondContact O-N 3.44Å; T111-S115 PolarHBondContact O-N 3.33Å; T111-L126 HydrophobicContact CG2-CB 3.9Å; T111-L126 HydrophobicContact CG2-CD1 3.97Å; T111-L126 HydrophobicContact CG2-CG 4.48Å; T111-I204 HydrophobicContact CG2-CB 3.74Å; T111-I204 HydrophobicContact CG2-CG1 3.8Å; T111-I204 HydrophobicContact CG2-CG2 4.13Å |
| 112 | A | 98.2 | Very high | 96 | Very high | 45 Ų | 45 | 39.6 Ų | 39.6 | 37% | 0.372 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V108 V109 A110 L114 S115 G116 I204 | V108-A112 VanDerWaalsContact O-CB 3.32Å; V108-A112 WeakPolarHBondContact O-CB 3.41Å; V108-A112 PolarHBondContact O-N 3.18Å; V109-A112 PolarHBondContact O-N 3.02Å; A110-A112 VanDerWaalsContact C-N 3.34Å; A110-A112 PolarHBondContact O-N 2.98Å; A112-L114 VanDerWaalsContact C-N 3.33Å; A112-L114 PolarHBondContact O-N 3.03Å; A112-S115 WeakPolarHBondContact O-CB 3.42Å; A112-S115 PolarHBondContact O-N 2.92Å; A112-G116 PolarHBondContact O-N 3.37Å; A112-I204 HydrophobicContact CB-CD1 3.8Å; A112-I204 HydrophobicContact CB-CG1 4.29Å |
| 113 | I | 98.3 | Very high | 95.3 | Very high | 93 Ų | 93 | 46.8 Ų | 46.8 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 175.1 | -65.4 | 165.9 | 0 | 0 | 0 | 109.8 | F26 V109 A110 S115 G116 V117 | F26-I113 HydrophobicContact CD2-CG2 4.26Å; F26-I113 HydrophobicContact CE2-CG2 3.88Å; V109-I113 HydrophobicContact CG1-CD1 3.79Å; V109-I113 VanDerWaalsContact O-CG1 3.26Å; V109-I113 WeakPolarHBondContact O-CG1 3.32Å; V109-I113 PolarHBondContact O-N 3Å; A110-I113 PolarHBondContact O-N 3.33Å; I113-S115 VanDerWaalsContact C-N 3.27Å; I113-S115 PolarHBondContact O-N 2.9Å; I113-G116 PolarHBondContact O-N 2.98Å; I113-G116 VanDerWaalsContact O-N 3.14Å; I113-V117 HydrophobicContact CG2-CG2 4.39Å; I113-V117 WeakPolarHBondContact O-CG2 3.28Å; I113-V117 PolarHBondContact O-N 3.42Å; I113-V117 VanDerWaalsContact O-N 3.11Å |
| 114 | L | 96.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.9 | -33.1 | -179 | -167.6 | 64.1 | 0 | 0 | 0 | 112.4 | F26 I29 L33 A110 T111 A112 G116 V117 T118 | F26-L114 HydrophobicContact CD2-CB 4.22Å; F26-L114 HydrophobicContact CD2-CD1 4.17Å; F26-L114 HydrophobicContact CE2-CB 4.34Å; F26-L114 HydrophobicContact CE2-CD1 3.85Å; F26-L114 HydrophobicContact CZ-CD1 4.33Å; I29-L114 HydrophobicContact CB-CD2 3.59Å; I29-L114 HydrophobicContact CG2-CD2 3.38Å; L33-L114 HydrophobicContact CD1-CD2 3.92Å; L33-L114 HydrophobicContact CD1-CG 4.22Å; A110-L114 WeakPolarHBondContact O-CB 3.24Å; A110-L114 PolarHBondContact O-N 3.49Å; T111-L114 PolarHBondContact O-N 3.44Å; A112-L114 VanDerWaalsContact C-N 3.33Å; A112-L114 PolarHBondContact O-N 3.03Å; L114-G116 VanDerWaalsContact C-N 3.33Å; L114-G116 PolarHBondContact O-N 3.45Å; L114-V117 PolarHBondContact O-N 3.49Å; L114-T118 HydrophobicContact CD1-CG2 4.02Å; L114-T118 HydrophobicContact CG-CG2 4.35Å; L114-T118 WeakPolarHBondContact O-CB 3.45Å; L114-T118 PolarHBondContact O-N 3.3Å; L114-T118 PolarHBondContact O-OG1 3Å |
| 115 | S | 96.3 | Very high | 94.2 | Very high | 47 Ų | 47 | 52.6 Ų | 52.6 | 33% | 0.329 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.4 | -44.1 | 172.7 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | T111 A112 I113 S119 | T111-S115 PolarHBondContact O-N 3.33Å; A112-S115 WeakPolarHBondContact O-CB 3.42Å; A112-S115 PolarHBondContact O-N 2.92Å; I113-S115 VanDerWaalsContact C-N 3.27Å; I113-S115 PolarHBondContact O-N 2.9Å; S115-S119 WeakPolarHBondContact O-CA 3.41Å; S115-S119 PolarHBondContact O-N 3.49Å; S115-S119 VanDerWaalsContact O-N 3.1Å |
| 116 | G | 95.6 | Very high | 93.9 | Very high | 48 Ų | 48 | 48.1 Ų | 48.1 | 50% | 0.495 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.7 | -47.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A112 I113 L114 T118 S119 | A112-G116 PolarHBondContact O-N 3.37Å; I113-G116 PolarHBondContact O-N 2.98Å; I113-G116 VanDerWaalsContact O-N 3.14Å; L114-G116 VanDerWaalsContact C-N 3.33Å; L114-G116 PolarHBondContact O-N 3.45Å; G116-T118 VanDerWaalsContact C-N 3.29Å; G116-T118 PolarHBondContact O-N 3.2Å; G116-S119 WeakPolarHBondContact O-CB 3.33Å; G116-S119 PolarHBondContact O-N 3.48Å; G116-S119 PolarHBondContact O-OG 3.44Å |
| 117 | V | 95.6 | Very high | 93.6 | Very high | 93 Ų | 93 | 49.1 Ų | 49.1 | 56% | 0.564 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.9 | -36 | -178.8 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | F26 I113 L114 | F26-V117 HydrophobicContact CE2-CG2 4.34Å; I113-V117 HydrophobicContact CG2-CG2 4.39Å; I113-V117 WeakPolarHBondContact O-CG2 3.28Å; I113-V117 PolarHBondContact O-N 3.42Å; I113-V117 VanDerWaalsContact O-N 3.11Å; L114-V117 PolarHBondContact O-N 3.49Å |
| 118 | T | 93.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 50.4 Ų | 50.4 | 7% | 0.074 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | 24.1 | -176.1 | 59.2 | 0 | 0 | 0 | 0 | 112.8 | L33 F37 L114 G116 S120 L121 N124 | L33-T118 HydrophobicContact CD1-CG2 4.15Å; F37-T118 HydrophobicContact CE2-CG2 4.3Å; L114-T118 HydrophobicContact CD1-CG2 4.02Å; L114-T118 HydrophobicContact CG-CG2 4.35Å; L114-T118 WeakPolarHBondContact O-CB 3.45Å; L114-T118 PolarHBondContact O-N 3.3Å; L114-T118 PolarHBondContact O-OG1 3Å; G116-T118 VanDerWaalsContact C-N 3.29Å; G116-T118 PolarHBondContact O-N 3.2Å; T118-S120 PolarHBondContact O-N 2.99Å; T118-L121 VanDerWaalsContact O-CB 3.29Å; T118-L121 WeakPolarHBondContact O-CB 3.2Å; T118-L121 PolarHBondContact O-N 3.48Å; T118-N124 WeakPolarHBondContact CB-ND2 3.24Å; T118-N124 PolarHBondContact O-ND2 3.07Å; T118-N124 PolarHBondContact OG1-ND2 3.06Å |
| 119 | S | 92.4 | Very high | 93.4 | Very high | 94 Ų | 94 | 49.4 Ų | 49.4 | 66% | 0.657 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -20.5 | -178.3 | 52.7 | 0 | 0 | 0 | 0 | 114.5 | S115 G116 L121 | S115-S119 WeakPolarHBondContact O-CA 3.41Å; S115-S119 PolarHBondContact O-N 3.49Å; S115-S119 VanDerWaalsContact O-N 3.1Å; G116-S119 WeakPolarHBondContact O-CB 3.33Å; G116-S119 PolarHBondContact O-N 3.48Å; G116-S119 PolarHBondContact O-OG 3.44Å; S119-L121 PolarHBondContact O-N 3.47Å |
| 120 | S | 89.3 | Confident | 93.4 | Very high | 77 Ų | 77 | 49 Ų | 49 | 54% | 0.538 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -9 | 174.7 | 56.5 | 0 | 0 | 0 | 0 | 114 | T118 | T118-S120 PolarHBondContact O-N 2.99Š|
| 121 | L | 88.4 | Confident | 93.3 | Very high | 21 Ų | 21 | 50.7 Ų | 50.7 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -85 | 124 | -177.9 | -168 | 70.1 | 0 | 0 | 0 | 111 | L33 F37 V39 T118 S119 N124 | L33-L121 HydrophobicContact CD2-CD2 4.23Å; F37-L121 HydrophobicContact CE2-CB 4.42Å; F37-L121 HydrophobicContact CE2-CD1 4.2Å; F37-L121 HydrophobicContact CZ-CB 4.25Å; F37-L121 HydrophobicContact CZ-CD1 4.42Å; V39-L121 HydrophobicContact CG2-CD1 3.95Å; T118-L121 VanDerWaalsContact O-CB 3.29Å; T118-L121 WeakPolarHBondContact O-CB 3.2Å; T118-L121 PolarHBondContact O-N 3.48Å; S119-L121 PolarHBondContact O-N 3.47Å; L121-N124 HydrophobicContact CB-CB 4.12Å; L121-N124 HydrophobicContact CD2-CB 4.22Å; L121-N124 HydrophobicContact CG-CB 4.38Å |
| 122 | P | 84.5 | Confident | 93.2 | Very high | 89 Ų | 89 | 52.8 Ų | 52.8 | 58% | 0.578 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | 143.7 | 176.9 | 29 | -33.6 | 0 | 0 | 0 | 110.9 | N124 | P122-N124 PolarHBondContact O-N 3.15Š|
| 123 | N | 84.5 | Confident | 93.1 | Very high | 158 Ų | 158 | 60.2 Ų | 60.2 | 85% | 0.845 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 39.9 | 179.4 | -58.6 | -29 | 0 | 0 | 0 | 113.5 | L125 | N123-L125 PolarHBondContact O-N 3.41Š|
| 124 | N | 87.2 | Confident | 92.9 | Very high | 34 Ų | 34 | 59.2 Ų | 59.2 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | trans | -69.5 | 101.9 | -176.3 | -172.6 | -3.2 | 0 | 0 | 0 | 111.7 | T118 L121 P122 L126 | T118-N124 WeakPolarHBondContact CB-ND2 3.24Å; T118-N124 PolarHBondContact O-ND2 3.07Å; T118-N124 PolarHBondContact OG1-ND2 3.06Å; L121-N124 HydrophobicContact CB-CB 4.12Å; L121-N124 HydrophobicContact CD2-CB 4.22Å; L121-N124 HydrophobicContact CG-CB 4.38Å; P122-N124 PolarHBondContact O-N 3.15Å; N124-L126 VanDerWaalsContact C-N 3.27Å; N124-L126 WeakPolarHBondContact ND2-CD2 3.46Å; N124-L126 PolarHBondContact O-N 3.04Å; N124-L126 WeakPolarHBondContact OD1-CA 3.44Å; N124-L126 WeakPolarHBondContact OD1-CD2 3.49Å; N124-L126 PolarHBondContact OD1-N 2.84Å | ||
| 125 | L | 86.1 | Confident | 92.9 | Very high | 104 Ų | 104 | 60.7 Ų | 60.7 | 55% | 0.545 | 39% | 0.385 | S | S | . | . | trans | -85.6 | 6.8 | 175.8 | -62.3 | 178.6 | 0 | 0 | 0 | 113.3 | N123 G127 L128 | N123-L125 PolarHBondContact O-N 3.41Å; L125-G127 PolarHBondContact O-N 2.89Å; L125-G127 VanDerWaalsContact O-N 3.1Å; L125-L128 HydrophobicContact CB-CB 4.13Å; L125-L128 WeakPolarHBondContact O-CB 3.31Å; L125-L128 PolarHBondContact O-N 3.17Å | ||
| 126 | L | 92.9 | Very high | 93 | Very high | 5 Ų | 5 | 62.8 Ų | 62.8 | 3% | 0.026 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 41 | 171.1 | -56.6 | 166.7 | 0 | 0 | 0 | 113.5 | I29 L33 T111 N124 L128 S201 I204 | I29-L126 WeakPolarHBondContact CG2-O 3.23Å; L33-L126 HydrophobicContact CD1-CD2 4.29Å; T111-L126 HydrophobicContact CG2-CB 3.9Å; T111-L126 HydrophobicContact CG2-CD1 3.97Å; T111-L126 HydrophobicContact CG2-CG 4.48Å; N124-L126 VanDerWaalsContact C-N 3.27Å; N124-L126 WeakPolarHBondContact ND2-CD2 3.46Å; N124-L126 PolarHBondContact O-N 3.04Å; N124-L126 WeakPolarHBondContact OD1-CA 3.44Å; N124-L126 WeakPolarHBondContact OD1-CD2 3.49Å; N124-L126 PolarHBondContact OD1-N 2.84Å; L126-L128 VanDerWaalsContact C-N 3.25Å; L126-L128 PolarHBondContact O-N 3.09Å; L126-S201 WeakPolarHBondContact O-CB 3.45Å; L126-S201 PolarHBondContact O-OG 3.4Å; L126-I204 HydrophobicContact CD1-CB 4.29Å; L126-I204 HydrophobicContact CD1-CG2 3.55Å |
| 127 | G | 92.4 | Very high | 93 | Very high | 20 Ų | 20 | 62 Ų | 62 | 21% | 0.206 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 27 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L125 N129 R197 | L125-G127 PolarHBondContact O-N 2.89Å; L125-G127 VanDerWaalsContact O-N 3.1Å; G127-N129 PolarHBondContact O-N 3.12Å; G127-R197 PolarHBondContact O-NH1 3.46Å; G127-R197 PolarHBondContact O-NH2 2.89Å |
| 128 | L | 96.6 | Very high | 93.1 | Very high | 27 Ų | 27 | 59.8 Ų | 59.8 | 14% | 0.141 | 38% | 0.378 | C | S | . | . | trans | -48.7 | 132.2 | 173.8 | -176 | 73.9 | 0 | 0 | 0 | 111.3 | L125 L126 A202 N207 | L125-L128 HydrophobicContact CB-CB 4.13Å; L125-L128 WeakPolarHBondContact O-CB 3.31Å; L125-L128 PolarHBondContact O-N 3.17Å; L126-L128 VanDerWaalsContact C-N 3.25Å; L126-L128 PolarHBondContact O-N 3.09Å; L128-A202 VanDerWaalsContact CD1-CA 3.46Å; L128-A202 HydrophobicContact CD1-CB 3.97Å; L128-N207 HydrophobicContact CD2-CB 3.77Å | ||
| 129 | N | 97.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 63.6 Ų | 63.6 | 3% | 0.027 | 40% | 0.395 | C | S | . | . | trans | -76.2 | 126.5 | 169.2 | -69.3 | 102.4 | 0 | 0 | 0 | 109.9 | G127 T189 G190 C191 G192 R197 S198 F214 | G127-N129 PolarHBondContact O-N 3.12Å; N129-T189 PolarHBondContact ND2-O 3.17Å; N129-T189 VanDerWaalsContact ND2-O 3.13Å; N129-G190 PolarHBondContact ND2-O 3.5Å; N129-C191 PolarHBondContact ND2-N 2.97Å; N129-C191 PolarHBondContact ND2-O 3.22Å; N129-G192 PolarHBondContact ND2-N 2.97Å; N129-R197 VanDerWaalsContact OD1-CD 3.3Å; N129-R197 WeakPolarHBondContact OD1-CD 3.35Å; N129-R197 PolarHBondContact OD1-NE 2.94Å; N129-R197 PolarHBondContact OD1-NH1 3.07Å; N129-S198 PolarHBondContact OD1-OG 2.95Å; N129-F214 HydrophobicContact CB-CD1 3.98Å; N129-F214 HydrophobicContact CB-CD2 3.96Å; N129-F214 HydrophobicContact CB-CE1 3.62Å; N129-F214 HydrophobicContact CB-CE2 3.6Å; N129-F214 HydrophobicContact CB-CG 4.16Å; N129-F214 HydrophobicContact CB-CZ 3.43Å; N129-F214 VanDerWaalsContact CB-CZ 3.43Å; N129-F214 VanDerWaalsContact O-CE2 3.23Å; N129-F214 WeakPolarHBondContact O-CE2 3.35Å | ||
| 130 | A | 97.1 | Very high | 93.6 | Very high | 50 Ų | 50 | 59.1 Ų | 59.1 | 41% | 0.413 | 36% | 0.364 | S | S | . | . | trans | -146.4 | 154.7 | 179 | 0 | 0 | 0 | 0 | 0 | 108.8 | S132 T189 | A130-S132 PolarHBondContact O-N 3.21Å; A130-T189 PolarHBondContact N-O 3.06Å; A130-T189 CarbonylContact O-C 3.13Å; A130-T189 WeakPolarHBondContact O-CA 3.45Å | ||
| 131 | L | 97.4 | Very high | 94 | Very high | 37 Ų | 37 | 57 Ų | 57 | 19% | 0.194 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 129.7 | 173.9 | -60.7 | 177.8 | 0 | 0 | 0 | 109.1 | I135 A137 T189 N210 I213 | L131-I135 HydrophobicContact CD2-CG2 4.21Å; L131-A137 HydrophobicContact CD1-CB 4.3Å; L131-T189 HydrophobicContact CD2-CG2 4.07Å; L131-N210 HydrophobicContact CD1-CB 4.19Å; L131-N210 HydrophobicContact CG-CB 4.44Å; L131-I213 HydrophobicContact CD1-CD1 3.98Å; L131-I213 HydrophobicContact CD2-CD1 4.09Å; L131-I213 HydrophobicContact CG-CD1 4.37Å |
| 132 | S | 96.1 | Very high | 94.5 | Very high | 44 Ų | 44 | 57.6 Ų | 57.6 | 31% | 0.308 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 157.5 | 172.8 | -65.5 | 0 | 0 | 0 | 0 | 111.4 | A130 G134 I135 D187 Y188 | A130-S132 PolarHBondContact O-N 3.21Å; S132-G134 PolarHBondContact O-N 2.87Å; S132-I135 WeakPolarHBondContact O-CB 3.38Å; S132-I135 PolarHBondContact O-N 3.25Å; S132-D187 WeakPolarHBondContact CB-O 3.46Å; S132-D187 PolarHBondContact OG-O 3.16Å; S132-Y188 PolarHBondContact N-O 3.07Å; S132-Y188 PolarHBondContact OG-O 3.22Å |
| 133 | E | 95.1 | Very high | 95.2 | Very high | 202 Ų | 202 | 54.8 Ų | 54.8 | 94% | 0.944 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 130.8 | 176.9 | -169.2 | 177.2 | 178.1 | 0 | 0 | 111 | I135 | E133-I135 VanDerWaalsContact C-N 3.34Š|
| 134 | G | 94.9 | Very high | 95.8 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 73% | 0.732 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.9 | -5.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | S132 | S132-G134 PolarHBondContact O-N 2.87Š|
| 135 | I | 97.4 | Very high | 96.4 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 19% | 0.185 | 30% | 0.297 | C | S | . | . | trans | -96.8 | 117.8 | 175.5 | -56.5 | -55 | 0 | 0 | 0 | 110.3 | L131 S132 E133 Q139 Y188 | L131-I135 HydrophobicContact CD2-CG2 4.21Å; S132-I135 WeakPolarHBondContact O-CB 3.38Å; S132-I135 PolarHBondContact O-N 3.25Å; E133-I135 VanDerWaalsContact C-N 3.34Å; I135-Q139 HydrophobicContact CG2-CB 3.88Å; I135-Y188 HydrophobicContact CD1-CD1 3.71Å; I135-Y188 HydrophobicContact CD1-CE1 4.39Å; I135-Y188 HydrophobicContact CG1-CD1 4.18Å | ||
| 136 | N | 96.9 | Very high | 97 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | trans | -81 | 164.4 | 172.5 | 73.6 | 53 | 0 | 0 | 0 | 111.8 | G138 Q139 G140 | N136-G138 VanDerWaalsContact C-N 3.28Å; N136-G138 PolarHBondContact O-N 3.46Å; N136-G138 WeakPolarHBondContact OD1-CA 3.5Å; N136-G138 PolarHBondContact OD1-N 3Å; N136-Q139 PolarHBondContact ND2-OE1 2.87Å; N136-Q139 VanDerWaalsContact ND2-OE1 3.13Å; N136-Q139 PolarHBondContact O-N 3.4Å; N136-Q139 VanDerWaalsContact O-N 3.14Å; N136-Q139 PolarHBondContact OD1-N 2.92Å; N136-G140 PolarHBondContact O-N 2.72Å | ||
| 137 | A | 97.4 | Very high | 97.2 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 26% | 0.256 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.3 | -37.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | L131 L141 W212 I213 | L131-A137 HydrophobicContact CD1-CB 4.3Å; A137-L141 VanDerWaalsContact O-CB 3.26Å; A137-L141 WeakPolarHBondContact O-CB 3.42Å; A137-L141 PolarHBondContact O-N 2.89Å; A137-W212 HydrophobicContact CB-CZ2 4.23Å; A137-I213 HydrophobicContact CB-CD1 3.76Å |
| 138 | G | 97.6 | Very high | 97.5 | Very high | 48 Ų | 48 | 46 Ų | 46 | 50% | 0.495 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.8 | -39.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | N136 L141 G142 | N136-G138 VanDerWaalsContact C-N 3.28Å; N136-G138 PolarHBondContact O-N 3.46Å; N136-G138 WeakPolarHBondContact OD1-CA 3.5Å; N136-G138 PolarHBondContact OD1-N 3Å; G138-L141 PolarHBondContact O-N 3.26Å; G138-G142 PolarHBondContact O-N 3.08Å |
| 139 | Q | 98 | Very high | 97.6 | Very high | 92 Ų | 92 | 46.4 Ų | 46.4 | 43% | 0.43 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.7 | -48.3 | 174.6 | -71 | 170.6 | -48.5 | 0 | 0 | 111.1 | I135 N136 L141 G142 I143 | I135-Q139 HydrophobicContact CG2-CB 3.88Å; N136-Q139 PolarHBondContact ND2-OE1 2.87Å; N136-Q139 VanDerWaalsContact ND2-OE1 3.13Å; N136-Q139 PolarHBondContact O-N 3.4Å; N136-Q139 VanDerWaalsContact O-N 3.14Å; N136-Q139 PolarHBondContact OD1-N 2.92Å; Q139-L141 VanDerWaalsContact C-N 3.3Å; Q139-L141 PolarHBondContact O-N 3.28Å; Q139-G142 PolarHBondContact O-N 2.92Å; Q139-I143 WeakPolarHBondContact O-CG1 3.49Å; Q139-I143 PolarHBondContact O-N 3.15Å; Q139-I143 VanDerWaalsContact O-N 3.1Å |
| 140 | G | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.3 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | N136 G142 I143 E144 | N136-G140 PolarHBondContact O-N 2.72Å; G140-G142 PolarHBondContact O-N 2.92Å; G140-I143 PolarHBondContact O-N 2.69Å; G140-E144 WeakPolarHBondContact O-CG 3.37Å; G140-E144 PolarHBondContact O-N 2.95Å |
| 141 | L | 98.4 | Very high | 97.7 | Very high | 32 Ų | 32 | 46 Ų | 46 | 17% | 0.168 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 175.3 | -177.7 | 69.7 | 0 | 0 | 0 | 112.4 | A137 G138 Q139 I143 E144 I145 W212 I213 V216 G217 | A137-L141 VanDerWaalsContact O-CB 3.26Å; A137-L141 WeakPolarHBondContact O-CB 3.42Å; A137-L141 PolarHBondContact O-N 2.89Å; G138-L141 PolarHBondContact O-N 3.26Å; Q139-L141 VanDerWaalsContact C-N 3.3Å; Q139-L141 PolarHBondContact O-N 3.28Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.46Å; L141-E144 PolarHBondContact O-N 2.84Å; L141-I145 HydrophobicContact CD1-CD1 4.38Å; L141-I145 HydrophobicContact CG-CD1 3.95Å; L141-I145 VanDerWaalsContact O-CG1 3.24Å; L141-I145 WeakPolarHBondContact O-CG1 3.47Å; L141-I145 PolarHBondContact O-N 2.92Å; L141-W212 HydrophobicContact CD1-CZ3 4.25Å; L141-W212 HydrophobicContact CD2-CH2 4.32Å; L141-W212 HydrophobicContact CD2-CZ3 4.3Å; L141-I213 HydrophobicContact CB-CG2 4.08Å; L141-I213 HydrophobicContact CD1-CG2 4.14Å; L141-V216 HydrophobicContact CD1-CB 4.24Å; L141-V216 HydrophobicContact CD1-CG1 4.06Å; L141-G217 VanDerWaalsContact CD1-CA 3.47Å |
| 142 | G | 98.4 | Very high | 97.8 | Very high | 34 Ų | 34 | 44.3 Ų | 44.3 | 35% | 0.351 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G138 Q139 G140 I145 I146 | G138-G142 PolarHBondContact O-N 3.08Å; Q139-G142 PolarHBondContact O-N 2.92Å; G140-G142 PolarHBondContact O-N 2.92Å; G142-I145 PolarHBondContact O-N 3.12Å; G142-I146 WeakPolarHBondContact O-CG1 3.33Å; G142-I146 PolarHBondContact O-N 3.16Å; G142-I146 VanDerWaalsContact O-N 3.13Å |
| 143 | I | 98.4 | Very high | 97.9 | Very high | 29 Ų | 29 | 44.4 Ų | 44.4 | 15% | 0.149 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -47.5 | 178 | -66.7 | 169.5 | 0 | 0 | 0 | 110.7 | Q139 G140 L141 I145 I146 A147 A185 Y188 | Q139-I143 WeakPolarHBondContact O-CG1 3.49Å; Q139-I143 PolarHBondContact O-N 3.15Å; Q139-I143 VanDerWaalsContact O-N 3.1Å; G140-I143 PolarHBondContact O-N 2.69Å; L141-I143 VanDerWaalsContact C-N 3.3Å; L141-I143 PolarHBondContact O-N 3.46Å; I143-I145 VanDerWaalsContact C-N 3.29Å; I143-I145 PolarHBondContact O-N 2.67Å; I143-I146 PolarHBondContact O-N 2.88Å; I143-A147 VanDerWaalsContact O-CB 3.24Å; I143-A147 WeakPolarHBondContact O-CB 3.41Å; I143-A147 PolarHBondContact O-N 2.94Å; I143-A185 HydrophobicContact CG2-CB 3.72Å; I143-Y188 HydrophobicContact CD1-CD1 3.48Å; I143-Y188 VanDerWaalsContact CD1-CD1 3.48Å; I143-Y188 HydrophobicContact CD1-CD2 3.79Å; I143-Y188 HydrophobicContact CD1-CE1 4.14Å; I143-Y188 HydrophobicContact CD1-CE2 4.42Å; I143-Y188 HydrophobicContact CD1-CG 3.28Å; I143-Y188 HydrophobicContact CG2-CD2 4.48Å |
| 144 | E | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.7 | -37.7 | 177.2 | -71.4 | -65.6 | 158 | 0 | 0 | 112.4 | G140 L141 T148 T189 G192 I193 I213 F214 | G140-E144 WeakPolarHBondContact O-CG 3.37Å; G140-E144 PolarHBondContact O-N 2.95Å; L141-E144 PolarHBondContact O-N 2.84Å; E144-T148 VanDerWaalsContact O-CB 3.24Å; E144-T148 WeakPolarHBondContact O-CB 3.34Å; E144-T148 PolarHBondContact O-N 2.91Å; E144-T148 PolarHBondContact O-OG1 2.97Å; E144-T189 HydrophobicContact CG-CG2 4.35Å; E144-T189 WeakPolarHBondContact OE1-CB 3.41Å; E144-T189 PolarHBondContact OE1-OG1 3.03Å; E144-G192 WeakPolarHBondContact OE1-CA 3.37Å; E144-G192 PolarHBondContact OE1-N 3.19Å; E144-G192 WeakPolarHBondContact OE2-CA 3.39Å; E144-I193 PolarHBondContact OE2-N 3.3Å; E144-I213 HydrophobicContact CG-CG2 4.23Å; E144-F214 HydrophobicContact CG-CD1 4.31Å |
| 145 | I | 98.8 | Very high | 98.2 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 17% | 0.174 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -61.3 | -54.1 | 175.3 | -70.7 | 166.9 | 0 | 0 | 0 | 110.6 | L141 G142 I143 T148 L149 G217 I220 G221 | L141-I145 HydrophobicContact CD1-CD1 4.38Å; L141-I145 HydrophobicContact CG-CD1 3.95Å; L141-I145 VanDerWaalsContact O-CG1 3.24Å; L141-I145 WeakPolarHBondContact O-CG1 3.47Å; L141-I145 PolarHBondContact O-N 2.92Å; G142-I145 PolarHBondContact O-N 3.12Å; I143-I145 VanDerWaalsContact C-N 3.29Å; I143-I145 PolarHBondContact O-N 2.67Å; I145-T148 PolarHBondContact O-N 3.15Å; I145-L149 VanDerWaalsContact O-CB 3.24Å; I145-L149 WeakPolarHBondContact O-CB 3.24Å; I145-L149 PolarHBondContact O-N 3.46Å; I145-G217 WeakPolarHBondContact CG1-O 3.48Å; I145-I220 HydrophobicContact CD1-CB 4.33Å; I145-I220 HydrophobicContact CD1-CD1 4.41Å; I145-I220 HydrophobicContact CD1-CG2 3.96Å; I145-I220 HydrophobicContact CG1-CB 4.12Å; I145-I220 HydrophobicContact CG1-CG2 4.05Å; I145-I220 HydrophobicContact CG2-CG2 4.19Å; I145-G221 WeakPolarHBondContact O-CA 3.46Å |
| 146 | I | 98.6 | Very high | 98.1 | Very high | 101 Ų | 101 | 31.6 Ų | 31.6 | 52% | 0.518 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -68 | -43.7 | -175.1 | -64.4 | -61.8 | 0 | 0 | 0 | 111.4 | G142 I143 T148 L149 Q150 | G142-I146 WeakPolarHBondContact O-CG1 3.33Å; G142-I146 PolarHBondContact O-N 3.16Å; G142-I146 VanDerWaalsContact O-N 3.13Å; I143-I146 PolarHBondContact O-N 2.88Å; I146-T148 VanDerWaalsContact C-N 3.27Å; I146-T148 PolarHBondContact O-N 3.44Å; I146-L149 PolarHBondContact O-N 3.4Å; I146-Q150 PolarHBondContact O-N 3.4Å; I146-Q150 VanDerWaalsContact O-N 3.15Å |
| 147 | A | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.4 | -32.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I143 Q150 A185 I193 | I143-A147 VanDerWaalsContact O-CB 3.24Å; I143-A147 WeakPolarHBondContact O-CB 3.41Å; I143-A147 PolarHBondContact O-N 2.94Å; A147-Q150 WeakPolarHBondContact O-CG 3.39Å; A147-Q150 PolarHBondContact O-NE2 3.32Å; A147-A185 HydrophobicContact CB-CB 4.33Å; A147-I193 HydrophobicContact CB-CG2 3.5Å |
| 148 | T | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -80.6 | -36.1 | 174.5 | -50.5 | 0 | 0 | 0 | 0 | 112.6 | A80 E144 I145 I146 Q150 L151 V152 I193 P218 | A80-T148 HydrophobicContact CB-CG2 3.63Å; E144-T148 VanDerWaalsContact O-CB 3.24Å; E144-T148 WeakPolarHBondContact O-CB 3.34Å; E144-T148 PolarHBondContact O-N 2.91Å; E144-T148 PolarHBondContact O-OG1 2.97Å; I145-T148 PolarHBondContact O-N 3.15Å; I146-T148 VanDerWaalsContact C-N 3.27Å; I146-T148 PolarHBondContact O-N 3.44Å; T148-Q150 PolarHBondContact O-N 3Å; T148-L151 WeakPolarHBondContact O-CB 3.47Å; T148-L151 PolarHBondContact O-N 3.16Å; T148-L151 VanDerWaalsContact O-N 3.15Å; T148-V152 HydrophobicContact CG2-CG2 4.06Å; T148-V152 PolarHBondContact O-N 3.39Å; T148-I193 WeakPolarHBondContact OG1-CA 3.49Å; T148-P218 HydrophobicContact CG2-CB 3.86Å; T148-P218 WeakPolarHBondContact CG2-O 3.22Å; T148-P218 WeakPolarHBondContact OG1-CA 3.42Å; T148-P218 WeakPolarHBondContact OG1-CB 3.37Å |
| 149 | L | 98.7 | Very high | 97.4 | Very high | 36 Ų | 36 | 29 Ų | 29 | 19% | 0.188 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.7 | -49.6 | 177.3 | -179 | 160 | 0 | 0 | 0 | 110.8 | I145 I146 L151 V152 L153 G221 A225 I228 | I145-L149 VanDerWaalsContact O-CB 3.24Å; I145-L149 WeakPolarHBondContact O-CB 3.24Å; I145-L149 PolarHBondContact O-N 3.46Å; I146-L149 PolarHBondContact O-N 3.4Å; L149-L151 VanDerWaalsContact C-N 3.25Å; L149-L151 PolarHBondContact O-N 2.94Å; L149-V152 PolarHBondContact O-N 2.96Å; L149-L153 WeakPolarHBondContact O-CB 3.21Å; L149-L153 PolarHBondContact O-N 3.3Å; L149-G221 WeakPolarHBondContact CA-O 3.09Å; L149-A225 HydrophobicContact CG-CB 4.3Å; L149-A225 WeakPolarHBondContact O-CB 3.41Å; L149-I228 HydrophobicContact CD1-CD1 4.05Å |
| 150 | Q | 98.6 | Very high | 97 | Very high | 44 Ų | 44 | 25.7 Ų | 25.7 | 21% | 0.206 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.2 | -35.1 | 179.3 | 69.2 | 77.4 | 40.2 | 0 | 0 | 112.2 | I146 A147 T148 C154 S177 | I146-Q150 PolarHBondContact O-N 3.4Å; I146-Q150 VanDerWaalsContact O-N 3.15Å; A147-Q150 WeakPolarHBondContact O-CG 3.39Å; A147-Q150 PolarHBondContact O-NE2 3.32Å; T148-Q150 PolarHBondContact O-N 3Å; Q150-C154 WeakPolarHBondContact O-CB 3.39Å; Q150-C154 PolarHBondContact O-N 3.1Å; Q150-S177 PolarHBondContact NE2-O 2.73Å; Q150-S177 PolarHBondContact NE2-OG 2.97Å; Q150-S177 PolarHBondContact OE1-O 3.17Å; Q150-S177 PolarHBondContact OE1-OG 2.93Å |
| 151 | L | 98.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.3 | -54.5 | 177.7 | 171.7 | 59.4 | 0 | 0 | 0 | 111.1 | V81 T148 L149 L153 C154 V155 I174 S177 V178 I193 | V81-L151 HydrophobicContact CG2-CD2 4.21Å; V81-L151 HydrophobicContact CG2-CG 4.27Å; T148-L151 WeakPolarHBondContact O-CB 3.47Å; T148-L151 PolarHBondContact O-N 3.16Å; T148-L151 VanDerWaalsContact O-N 3.15Å; L149-L151 VanDerWaalsContact C-N 3.25Å; L149-L151 PolarHBondContact O-N 2.94Å; L151-L153 VanDerWaalsContact C-N 3.28Å; L151-L153 PolarHBondContact O-N 3.03Å; L151-C154 WeakPolarHBondContact O-CB 3.47Å; L151-C154 PolarHBondContact O-N 2.89Å; L151-C154 VanDerWaalsContact O-N 3.16Å; L151-V155 HydrophobicContact CD1-CG2 4.41Å; L151-V155 WeakPolarHBondContact O-CG2 3.2Å; L151-V155 PolarHBondContact O-N 3.27Å; L151-I174 HydrophobicContact CD1-CG2 4.31Å; L151-S177 WeakPolarHBondContact CA-OG 3.44Å; L151-V178 HydrophobicContact CD1-CG2 3.44Å; L151-V178 VanDerWaalsContact CD1-CG2 3.44Å; L151-V178 HydrophobicContact CD2-CG2 4.09Å; L151-V178 HydrophobicContact CG-CG2 4.41Å; L151-I193 HydrophobicContact CD2-CD1 4.19Å |
| 152 | V | 98.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.4 | -34.2 | -176.8 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | V81 T148 L149 V155 L156 A225 | V81-V152 HydrophobicContact CG2-CG2 4.13Å; T148-V152 HydrophobicContact CG2-CG2 4.06Å; T148-V152 PolarHBondContact O-N 3.39Å; L149-V152 PolarHBondContact O-N 2.96Å; V152-V155 PolarHBondContact O-N 3.01Å; V152-L156 HydrophobicContact CG1-CD1 4.14Å; V152-L156 HydrophobicContact CG1-CG 4.4Å; V152-L156 WeakPolarHBondContact O-CG 3.44Å; V152-L156 PolarHBondContact O-N 2.74Å; V152-A225 HydrophobicContact CB-CB 3.72Å; V152-A225 HydrophobicContact CG1-CB 3.78Å |
| 153 | L | 98.4 | Very high | 95.3 | Very high | 45 Ų | 45 | 40.6 Ų | 40.6 | 24% | 0.236 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.1 | -43.1 | 172.9 | -174.3 | 65.3 | 0 | 0 | 0 | 111.5 | L149 L151 L156 A157 A225 Y229 L233 | L149-L153 WeakPolarHBondContact O-CB 3.21Å; L149-L153 PolarHBondContact O-N 3.3Å; L151-L153 VanDerWaalsContact C-N 3.28Å; L151-L153 PolarHBondContact O-N 3.03Å; L153-L156 PolarHBondContact O-N 3.45Å; L153-A157 VanDerWaalsContact O-CB 3.3Å; L153-A157 WeakPolarHBondContact O-CB 3.3Å; L153-A157 PolarHBondContact O-N 3.14Å; L153-A225 HydrophobicContact CB-CB 4.13Å; L153-Y229 HydrophobicContact CD1-CD2 3.69Å; L153-Y229 HydrophobicContact CD1-CG 4.18Å; L153-L233 HydrophobicContact CD1-CD1 4.48Å |
| 154 | C | 98 | Very high | 94.7 | Very high | 30 Ų | 30 | 46.4 Ų | 46.4 | 20% | 0.203 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 174.5 | -176.5 | 0 | 0 | 0 | 0 | 111.6 | Q150 L151 A157 T158 | Q150-C154 WeakPolarHBondContact O-CB 3.39Å; Q150-C154 PolarHBondContact O-N 3.1Å; L151-C154 WeakPolarHBondContact O-CB 3.47Å; L151-C154 PolarHBondContact O-N 2.89Å; L151-C154 VanDerWaalsContact O-N 3.16Å; C154-A157 PolarHBondContact O-N 3.41Å; C154-T158 WeakPolarHBondContact O-CB 3.48Å; C154-T158 VanDerWaalsContact O-CG2 3.24Å; C154-T158 WeakPolarHBondContact O-CG2 3.48Å; C154-T158 PolarHBondContact O-N 2.95Å; C154-T158 PolarHBondContact O-OG1 3.35Å |
| 155 | V | 97.2 | Very high | 94.1 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.6 | -54.1 | 176.4 | 174.4 | 0 | 0 | 0 | 0 | 110.5 | V81 L85 L151 V152 A157 T158 T159 I174 | V81-V155 HydrophobicContact CG1-CB 4.37Å; V81-V155 HydrophobicContact CG1-CG1 3.9Å; V81-V155 HydrophobicContact CG1-CG2 4.07Å; V81-V155 HydrophobicContact CG2-CG2 4.29Å; L85-V155 HydrophobicContact CD1-CG1 4.35Å; L151-V155 HydrophobicContact CD1-CG2 4.41Å; L151-V155 WeakPolarHBondContact O-CG2 3.2Å; L151-V155 PolarHBondContact O-N 3.27Å; V152-V155 PolarHBondContact O-N 3.01Å; V155-A157 VanDerWaalsContact C-N 3.28Å; V155-A157 PolarHBondContact O-N 3.02Å; V155-T158 PolarHBondContact O-N 3.38Å; V155-T158 VanDerWaalsContact O-N 3.17Å; V155-T158 PolarHBondContact O-OG1 3.28Å; V155-T159 HydrophobicContact CG1-CG2 4.35Å; V155-T159 WeakPolarHBondContact O-CG2 3.5Å; V155-T159 PolarHBondContact O-N 2.92Å; V155-T159 PolarHBondContact O-OG1 3.45Å; V155-I174 HydrophobicContact CG2-CD1 4.2Å; V155-I174 HydrophobicContact CG2-CG1 4.15Å; V155-I174 HydrophobicContact CG2-CG2 3.93Å |
| 156 | L | 95.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -57.8 | -41.9 | -179.1 | -69.3 | 169.6 | 0 | 0 | 0 | 112.3 | L85 V152 L153 D160 A226 Y229 | L85-L156 HydrophobicContact CD2-CD2 3.89Å; V152-L156 HydrophobicContact CG1-CD1 4.14Å; V152-L156 HydrophobicContact CG1-CG 4.4Å; V152-L156 WeakPolarHBondContact O-CG 3.44Å; V152-L156 PolarHBondContact O-N 2.74Å; L153-L156 PolarHBondContact O-N 3.45Å; L156-D160 WeakPolarHBondContact O-CB 3.35Å; L156-D160 PolarHBondContact O-N 3.44Å; L156-A226 VanDerWaalsContact CD1-CA 3.49Å; L156-A226 HydrophobicContact CD1-CB 4.12Å; L156-Y229 HydrophobicContact CB-CD1 3.89Å; L156-Y229 HydrophobicContact CB-CE1 4.34Å; L156-Y229 HydrophobicContact CB-CG 4.08Å |
| 157 | A | 95.1 | Very high | 92 | Very high | 17 Ų | 17 | 55.6 Ų | 55.6 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.6 | -27.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L153 C154 V155 R163 Y229 | L153-A157 VanDerWaalsContact O-CB 3.3Å; L153-A157 WeakPolarHBondContact O-CB 3.3Å; L153-A157 PolarHBondContact O-N 3.14Å; C154-A157 PolarHBondContact O-N 3.41Å; V155-A157 VanDerWaalsContact C-N 3.28Å; V155-A157 PolarHBondContact O-N 3.02Å; A157-R163 WeakPolarHBondContact O-CD 3.3Å; A157-Y229 WeakPolarHBondContact CA-OH 3.4Å; A157-Y229 HydrophobicContact CB-CD2 4.38Å; A157-Y229 HydrophobicContact CB-CE2 3.6Å |
| 158 | T | 92.6 | Very high | 91.4 | Very high | 44 Ų | 44 | 59.3 Ų | 59.3 | 27% | 0.27 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -87 | -24.9 | 179.5 | 51.7 | 0 | 0 | 0 | 0 | 112.5 | C154 V155 A173 | C154-T158 WeakPolarHBondContact O-CB 3.48Å; C154-T158 VanDerWaalsContact O-CG2 3.24Å; C154-T158 WeakPolarHBondContact O-CG2 3.48Å; C154-T158 PolarHBondContact O-N 2.95Å; C154-T158 PolarHBondContact O-OG1 3.35Å; V155-T158 PolarHBondContact O-N 3.38Å; V155-T158 VanDerWaalsContact O-N 3.17Å; V155-T158 PolarHBondContact O-OG1 3.28Å; T158-A173 HydrophobicContact CG2-CB 4.07Å |
| 159 | T | 90.2 | Very high | 91.2 | Very high | 56 Ų | 56 | 61.6 Ų | 61.6 | 34% | 0.344 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -93.7 | 1 | 174.1 | 65.1 | 0 | 0 | 0 | 0 | 113.2 | V155 R161 | V155-T159 HydrophobicContact CG1-CG2 4.35Å; V155-T159 WeakPolarHBondContact O-CG2 3.5Å; V155-T159 PolarHBondContact O-N 2.92Å; V155-T159 PolarHBondContact O-OG1 3.45Å; T159-R161 PolarHBondContact O-N 3.32Å; T159-R161 VanDerWaalsContact O-N 3.15Å |
| 160 | D | 90.5 | Very high | 90.9 | Very high | 22 Ų | 22 | 61.7 Ų | 61.7 | 12% | 0.118 | 35% | 0.349 | C | S | . | . | trans | -72.4 | 105.7 | 176.5 | -168.3 | -13.5 | 0 | 0 | 0 | 111.1 | L156 R162 R163 Y229 | L156-D160 WeakPolarHBondContact O-CB 3.35Å; L156-D160 PolarHBondContact O-N 3.44Å; D160-R162 PolarHBondContact O-N 2.65Å; D160-R162 VanDerWaalsContact OD1-CB 3.23Å; D160-R162 WeakPolarHBondContact OD1-CB 3.44Å; D160-R162 VanDerWaalsContact OD1-CG 3.28Å; D160-R162 WeakPolarHBondContact OD1-CG 3.24Å; D160-R162 IonicContact OD1-CZ 3.25Å; D160-R162 PolarHBondContact OD1-N 3.02Å; D160-R162 IonicContact OD1-NE 2.69Å; D160-R162 PolarHBondContact OD1-NE 3.11Å; D160-R162 IonicContact OD1-NH2 3.24Å; D160-R162 IonicContact OD2-CZ 3.59Å; D160-R162 VanDerWaalsContact OD2-CZ 3.24Å; D160-R162 IonicContact OD2-NE 3.9Å; D160-R162 PolarHBondContact OD2-NE 3.05Å; D160-R162 IonicContact OD2-NH2 3.79Å; D160-R162 PolarHBondContact OD2-NH2 3.38Å; D160-R163 HydrophobicContact CB-CG 4.3Å; D160-R163 WeakPolarHBondContact O-CB 3.39Å; D160-R163 PolarHBondContact O-N 3Å; D160-Y229 HydrophobicContact CB-CE1 4.22Å; D160-Y229 WeakPolarHBondContact CB-OH 3.47Å; D160-Y229 PolarHBondContact OD2-OH 3.21Å | ||
| 161 | R | 85.6 | Confident | 90.8 | Very high | 166 Ų | 166 | 60.8 Ų | 60.8 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -13 | 178.5 | -61.8 | -179.3 | -179.8 | 159.2 | -2.9 | 114.1 | T159 R163 E253 | T159-R161 PolarHBondContact O-N 3.32Å; T159-R161 VanDerWaalsContact O-N 3.15Å; R161-R163 VanDerWaalsContact C-N 3.3Å; R161-E253 IonicContact CZ-OE2 3.58Å; R161-E253 IonicContact NH1-OE2 2.75Å; R161-E253 PolarHBondContact NH1-OE2 3.31Å |
| 162 | R | 87.4 | Confident | 90.8 | Very high | 109 Ų | 109 | 64.5 Ų | 64.5 | 41% | 0.411 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -18.6 | 175.9 | -57.7 | 174.6 | -65.6 | 172.3 | -0 | 112.2 | D160 A234 P235 | D160-R162 PolarHBondContact O-N 2.65Å; D160-R162 VanDerWaalsContact OD1-CB 3.23Å; D160-R162 WeakPolarHBondContact OD1-CB 3.44Å; D160-R162 VanDerWaalsContact OD1-CG 3.28Å; D160-R162 WeakPolarHBondContact OD1-CG 3.24Å; D160-R162 IonicContact OD1-CZ 3.25Å; D160-R162 PolarHBondContact OD1-N 3.02Å; D160-R162 IonicContact OD1-NE 2.69Å; D160-R162 PolarHBondContact OD1-NE 3.11Å; D160-R162 IonicContact OD1-NH2 3.24Å; D160-R162 IonicContact OD2-CZ 3.59Å; D160-R162 VanDerWaalsContact OD2-CZ 3.24Å; D160-R162 IonicContact OD2-NE 3.9Å; D160-R162 PolarHBondContact OD2-NE 3.05Å; D160-R162 IonicContact OD2-NH2 3.79Å; D160-R162 PolarHBondContact OD2-NH2 3.38Å; R162-A234 PolarHBondContact NH1-O 3.09Å; R162-A234 PolarHBondContact NH2-O 3.41Å; R162-P235 PolarHBondContact NH1-O 3.15Å |
| 163 | R | 85.4 | Confident | 90.7 | Very high | 104 Ų | 104 | 66.3 Ų | 66.3 | 39% | 0.392 | 38% | 0.381 | S | S | . | . | trans | -85.9 | 114.9 | 178.7 | -70.6 | -165.3 | 71.1 | -176.5 | 8.3 | 110.6 | A157 D160 R161 D165 | A157-R163 WeakPolarHBondContact O-CD 3.3Å; D160-R163 HydrophobicContact CB-CG 4.3Å; D160-R163 WeakPolarHBondContact O-CB 3.39Å; D160-R163 PolarHBondContact O-N 3Å; R161-R163 VanDerWaalsContact C-N 3.3Å; R163-D165 WeakPolarHBondContact CB-OD1 3.35Å; R163-D165 IonicContact CZ-OD1 2.98Å; R163-D165 IonicContact CZ-OD2 3.74Å; R163-D165 IonicContact NE-OD1 3.02Å; R163-D165 PolarHBondContact NE-OD1 2.9Å; R163-D165 IonicContact NE-OD2 3.94Å; R163-D165 IonicContact NH2-OD1 3.58Å; R163-D165 IonicContact NH2-OD2 3.63Å; R163-D165 PolarHBondContact NH2-OD2 3.45Å | ||
| 164 | N | 85 | Confident | 90.7 | Very high | 151 Ų | 151 | 65.3 Ų | 65.3 | 81% | 0.807 | 38% | 0.376 | S | S | * | . | trans | -114 | 3.7 | 174.4 | -61.3 | -50 | 0 | 0 | 0 | 112.1 | ||||
| 165 | D | 86.6 | Confident | 90.7 | Very high | 113 Ų | 113 | 64 Ų | 64 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -83.8 | -21.1 | -175 | 61.3 | -53.8 | 0 | 0 | 0 | 113.4 | R163 | R163-D165 WeakPolarHBondContact CB-OD1 3.35Å; R163-D165 IonicContact CZ-OD1 2.98Å; R163-D165 IonicContact CZ-OD2 3.74Å; R163-D165 IonicContact NE-OD1 3.02Å; R163-D165 PolarHBondContact NE-OD1 2.9Å; R163-D165 IonicContact NE-OD2 3.94Å; R163-D165 IonicContact NH2-OD1 3.58Å; R163-D165 IonicContact NH2-OD2 3.63Å; R163-D165 PolarHBondContact NH2-OD2 3.45Å |
| 166 | V | 77.4 | Confident | 90.8 | Very high | 96 Ų | 96 | 68 Ų | 68 | 58% | 0.582 | 39% | 0.387 | S | S | * | . | trans | -100.3 | 125.9 | -175.4 | -175 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 167 | S | 76.3 | Confident | 90.9 | Very high | 118 Ų | 118 | 68.3 Ų | 68.3 | 83% | 0.825 | 39% | 0.39 | S | S | * | . | trans | -108.8 | 136.6 | 168.5 | 54.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 168 | G | 86.1 | Confident | 91.1 | Very high | 79 Ų | 79 | 67.9 Ų | 67.9 | 81% | 0.814 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 142.4 | -170.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 169 | S | 92.8 | Very high | 91.4 | Very high | 48 Ų | 48 | 66 Ų | 66 | 34% | 0.336 | 38% | 0.375 | S | S | . | . | trans | -92.2 | 110.4 | 178.1 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | Q67 P171 L172 A173 | Q67-S169 PolarHBondContact OE1-OG 2.81Å; S169-P171 WeakPolarHBondContact OG-CD 3.4Å; S169-L172 PolarHBondContact O-N 3.21Å; S169-L172 PolarHBondContact OG-N 2.91Å; S169-A173 PolarHBondContact O-N 3.31Å; S169-A173 VanDerWaalsContact O-N 3.08Å | ||
| 170 | A | 93.9 | Very high | 91.8 | Very high | 39 Ų | 39 | 68.2 Ų | 68.2 | 32% | 0.322 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -56.7 | -43.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L172 A173 I174 | A170-L172 VanDerWaalsContact C-N 3.3Å; A170-L172 PolarHBondContact O-N 3.32Å; A170-A173 PolarHBondContact O-N 3Å; A170-I174 WeakPolarHBondContact O-CG1 3.37Å; A170-I174 PolarHBondContact O-N 2.86Å |
| 171 | P | 96.4 | Very high | 92.2 | Very high | 24 Ų | 24 | 67.2 Ų | 67.2 | 16% | 0.156 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -53.2 | -43.5 | 171.9 | -31.4 | 37.9 | 0 | 0 | 0 | 113.9 | A63 A66 Q67 S169 I174 G175 | A63-P171 WeakPolarHBondContact CA-O 3.47Å; A63-P171 WeakPolarHBondContact O-CB 3.32Å; A66-P171 HydrophobicContact CB-CB 3.81Å; A66-P171 HydrophobicContact CB-CG 4.29Å; Q67-P171 HydrophobicContact CB-CB 4.13Å; Q67-P171 HydrophobicContact CB-CG 4.38Å; S169-P171 WeakPolarHBondContact OG-CD 3.4Å; P171-I174 PolarHBondContact O-N 2.93Å; P171-G175 PolarHBondContact O-N 3.45Å |
| 172 | L | 97.5 | Very high | 92.8 | Very high | 82 Ų | 82 | 59.4 Ų | 59.4 | 43% | 0.429 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.4 | -43.3 | 178.9 | -177.1 | 60.7 | 0 | 0 | 0 | 111.9 | A63 S169 A170 I174 G175 L176 | A63-L172 HydrophobicContact CB-CD1 4.31Å; S169-L172 PolarHBondContact O-N 3.21Å; S169-L172 PolarHBondContact OG-N 2.91Å; A170-L172 VanDerWaalsContact C-N 3.3Å; A170-L172 PolarHBondContact O-N 3.32Å; L172-I174 VanDerWaalsContact C-N 3.34Å; L172-I174 PolarHBondContact O-N 3.14Å; L172-G175 PolarHBondContact O-N 2.99Å; L172-L176 HydrophobicContact CD1-CG 4.36Å; L172-L176 HydrophobicContact CG-CD1 4.27Å; L172-L176 HydrophobicContact CG-CG 4.49Å; L172-L176 WeakPolarHBondContact O-CG 3.43Å; L172-L176 PolarHBondContact O-N 3.23Å |
| 173 | A | 97.6 | Very high | 93.3 | Very high | 39 Ų | 39 | 58.1 Ų | 58.1 | 32% | 0.322 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | T158 S169 A170 L176 S177 | T158-A173 HydrophobicContact CG2-CB 4.07Å; S169-A173 PolarHBondContact O-N 3.31Å; S169-A173 VanDerWaalsContact O-N 3.08Å; A170-A173 PolarHBondContact O-N 3Å; A173-L176 PolarHBondContact O-N 2.93Å; A173-S177 PolarHBondContact O-N 3.49Å |
| 174 | I | 98 | Very high | 93.9 | Very high | 25 Ų | 25 | 56.9 Ų | 56.9 | 13% | 0.128 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | 175.9 | -64.9 | 166.9 | 0 | 0 | 0 | 110.6 | I62 L151 V155 A170 P171 L172 L176 S177 V178 | I62-I174 HydrophobicContact CG2-CG2 4.07Å; L151-I174 HydrophobicContact CD1-CG2 4.31Å; V155-I174 HydrophobicContact CG2-CD1 4.2Å; V155-I174 HydrophobicContact CG2-CG1 4.15Å; V155-I174 HydrophobicContact CG2-CG2 3.93Å; A170-I174 WeakPolarHBondContact O-CG1 3.37Å; A170-I174 PolarHBondContact O-N 2.86Å; P171-I174 PolarHBondContact O-N 2.93Å; L172-I174 VanDerWaalsContact C-N 3.34Å; L172-I174 PolarHBondContact O-N 3.14Å; I174-L176 VanDerWaalsContact C-N 3.35Å; I174-L176 PolarHBondContact O-N 2.99Å; I174-S177 WeakPolarHBondContact O-CB 3.29Å; I174-S177 PolarHBondContact O-N 3.21Å; I174-S177 VanDerWaalsContact O-N 3.15Å; I174-V178 PolarHBondContact O-N 3.31Å |
| 175 | G | 98.4 | Very high | 94.5 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.7 | -39.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G59 P171 L172 S177 V178 A179 | G59-G175 CarbonylContact C-O 3.57Å; G59-G175 WeakPolarHBondContact CA-O 3.14Å; G59-G175 CarbonylContact O-C 3.59Å; G59-G175 WeakPolarHBondContact O-CA 3.44Å; P171-G175 PolarHBondContact O-N 3.45Å; L172-G175 PolarHBondContact O-N 2.99Å; G175-S177 VanDerWaalsContact C-N 3.33Å; G175-S177 PolarHBondContact O-N 3.39Å; G175-V178 WeakPolarHBondContact O-CB 3.31Å; G175-V178 PolarHBondContact O-N 3.39Å; G175-A179 PolarHBondContact O-N 3.13Å |
| 176 | L | 98.5 | Very high | 95 | Very high | 93 Ų | 93 | 45.5 Ų | 45.5 | 49% | 0.487 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.8 | -36.8 | 173.8 | -70.6 | 174.3 | 0 | 0 | 0 | 112 | L172 A173 I174 V178 A179 L180 | L172-L176 HydrophobicContact CD1-CG 4.36Å; L172-L176 HydrophobicContact CG-CD1 4.27Å; L172-L176 HydrophobicContact CG-CG 4.49Å; L172-L176 WeakPolarHBondContact O-CG 3.43Å; L172-L176 PolarHBondContact O-N 3.23Å; A173-L176 PolarHBondContact O-N 2.93Å; I174-L176 VanDerWaalsContact C-N 3.35Å; I174-L176 PolarHBondContact O-N 2.99Å; L176-V178 VanDerWaalsContact C-N 3.35Å; L176-A179 PolarHBondContact O-N 3.42Å; L176-L180 WeakPolarHBondContact O-CB 3.44Å; L176-L180 PolarHBondContact O-N 2.96Å |
| 177 | S | 98.6 | Very high | 95.9 | Very high | 9 Ų | 9 | 45.4 Ų | 45.4 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.1 | -36.9 | 172.9 | 173.2 | 0 | 0 | 0 | 0 | 112.4 | Q150 L151 A173 I174 G175 L180 G181 | Q150-S177 PolarHBondContact NE2-O 2.73Å; Q150-S177 PolarHBondContact NE2-OG 2.97Å; Q150-S177 PolarHBondContact OE1-O 3.17Å; Q150-S177 PolarHBondContact OE1-OG 2.93Å; L151-S177 WeakPolarHBondContact CA-OG 3.44Å; A173-S177 PolarHBondContact O-N 3.49Å; I174-S177 WeakPolarHBondContact O-CB 3.29Å; I174-S177 PolarHBondContact O-N 3.21Å; I174-S177 VanDerWaalsContact O-N 3.15Å; G175-S177 VanDerWaalsContact C-N 3.33Å; G175-S177 PolarHBondContact O-N 3.39Å; S177-L180 PolarHBondContact O-N 3.03Å; S177-G181 PolarHBondContact O-N 3.36Å |
| 178 | V | 98.7 | Very high | 96.9 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 171 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | F58 I62 L151 I174 G175 L176 L180 G181 H182 I193 | F58-V178 HydrophobicContact CB-CG1 4.3Å; I62-V178 HydrophobicContact CB-CG2 4.28Å; I62-V178 HydrophobicContact CG1-CG1 4.14Å; I62-V178 HydrophobicContact CG1-CG2 4.13Å; I62-V178 HydrophobicContact CG2-CG2 4.1Å; L151-V178 HydrophobicContact CD1-CG2 3.44Å; L151-V178 VanDerWaalsContact CD1-CG2 3.44Å; L151-V178 HydrophobicContact CD2-CG2 4.09Å; L151-V178 HydrophobicContact CG-CG2 4.41Å; I174-V178 PolarHBondContact O-N 3.31Å; G175-V178 WeakPolarHBondContact O-CB 3.31Å; G175-V178 PolarHBondContact O-N 3.39Å; L176-V178 VanDerWaalsContact C-N 3.35Å; V178-L180 VanDerWaalsContact C-N 3.3Å; V178-L180 PolarHBondContact O-N 3.1Å; V178-G181 PolarHBondContact O-N 3.37Å; V178-H182 PolarHBondContact O-N 3.26Å; V178-H182 VanDerWaalsContact O-N 3.11Å; V178-H182 PolarHBondContact O-ND1 3.4Å; V178-I193 HydrophobicContact CG1-CD1 4.3Å |
| 179 | A | 98.7 | Very high | 97.4 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 5% | 0.05 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | S55 G175 L176 G181 H182 L183 | S55-A179 WeakPolarHBondContact CB-O 3.4Å; S55-A179 WeakPolarHBondContact O-CA 3.26Å; S55-A179 WeakPolarHBondContact O-CB 3.39Å; G175-A179 PolarHBondContact O-N 3.13Å; L176-A179 PolarHBondContact O-N 3.42Å; A179-G181 PolarHBondContact O-N 3.13Å; A179-H182 WeakPolarHBondContact O-CB 3.5Å; A179-H182 PolarHBondContact O-N 3.28Å; A179-H182 VanDerWaalsContact O-N 3.15Å; A179-L183 WeakPolarHBondContact O-CG 3.4Å; A179-L183 PolarHBondContact O-N 3.37Å |
| 180 | L | 98.6 | Very high | 97.6 | Very high | 101 Ų | 101 | 39.2 Ų | 39.2 | 53% | 0.529 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 176.8 | -179.1 | 62.2 | 0 | 0 | 0 | 112.3 | L176 S177 V178 H182 L183 L184 | L176-L180 WeakPolarHBondContact O-CB 3.44Å; L176-L180 PolarHBondContact O-N 2.96Å; S177-L180 PolarHBondContact O-N 3.03Å; V178-L180 VanDerWaalsContact C-N 3.3Å; V178-L180 PolarHBondContact O-N 3.1Å; L180-H182 VanDerWaalsContact C-N 3.28Å; L180-H182 PolarHBondContact O-N 2.73Å; L180-L183 PolarHBondContact O-N 2.91Å; L180-L184 PolarHBondContact O-N 3.32Å |
| 181 | G | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.9 | -40.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S177 V178 A179 L184 A185 | S177-G181 PolarHBondContact O-N 3.36Å; V178-G181 PolarHBondContact O-N 3.37Å; A179-G181 PolarHBondContact O-N 3.13Å; G181-L184 PolarHBondContact O-N 2.63Å; G181-A185 WeakPolarHBondContact O-CB 3.43Å; G181-A185 PolarHBondContact O-N 3.31Å |
| 182 | H | 98.4 | Very high | 97.5 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.5 | -40.9 | 176.8 | -74 | 75.5 | 0 | 0 | 0 | 112.8 | S55 F58 V178 A179 L180 L184 A185 I186 C191 | S55-H182 VanDerWaalsContact OG-C 3.22Å; S55-H182 VanDerWaalsContact OG-CB 3.27Å; S55-H182 WeakPolarHBondContact OG-CB 3.27Å; F58-H182 AromaticContact CD1-CD2 3.91Å; F58-H182 AromaticContact CD1-CE1 3.6Å; F58-H182 AromaticContact CD1-NE2 3.08Å; F58-H182 WeakPolarHBondContact CD1-NE2 3.27Å; F58-H182 AromaticContact CD2-CD2 3.88Å; F58-H182 AromaticContact CD2-NE2 3.9Å; F58-H182 AromaticContact CE1-NE2 3.6Å; F58-H182 AromaticContact CG-CD2 3.61Å; F58-H182 AromaticContact CG-CE1 3.75Å; F58-H182 AromaticContact CG-NE2 3.25Å; F58-H182 VanDerWaalsContact CG-NE2 3.25Å; F58-H182 WeakPolarHBondContact CG-NE2 3.5Å; V178-H182 PolarHBondContact O-N 3.26Å; V178-H182 VanDerWaalsContact O-N 3.11Å; V178-H182 PolarHBondContact O-ND1 3.4Å; A179-H182 WeakPolarHBondContact O-CB 3.5Å; A179-H182 PolarHBondContact O-N 3.28Å; A179-H182 VanDerWaalsContact O-N 3.15Å; L180-H182 VanDerWaalsContact C-N 3.28Å; L180-H182 PolarHBondContact O-N 2.73Å; H182-L184 PolarHBondContact O-N 2.8Å; H182-A185 PolarHBondContact O-N 3.38Å; H182-I186 HydrophobicContact CB-CD1 3.93Å; H182-I186 HydrophobicContact CB-CG1 4.23Å; H182-I186 WeakPolarHBondContact O-CB 3.26Å; H182-I186 WeakPolarHBondContact O-CD1 3.29Å; H182-I186 WeakPolarHBondContact O-CG1 3.49Å; H182-I186 PolarHBondContact O-N 2.92Å; H182-I186 VanDerWaalsContact O-N 3.1Å; H182-C191 VanDerWaalsContact CA-SG 3.54Å; H182-C191 HydrophobicContact CB-CB 4.48Å; H182-C191 PolarHBondContact CD2-SG 3.5Å; H182-C191 PolarHBondContact NE2-SG 3.4Å |
| 183 | L | 98.3 | Very high | 97.4 | Very high | 82 Ų | 82 | 32.5 Ų | 32.5 | 43% | 0.429 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.3 | -30.8 | 176.1 | -73.7 | 172.5 | 0 | 0 | 0 | 111.9 | V52 S55 A179 L180 | V52-L183 HydrophobicContact CB-CD2 4.49Å; V52-L183 HydrophobicContact CG2-CD2 4.03Å; S55-L183 WeakPolarHBondContact OG-CA 3.45Å; S55-L183 PolarHBondContact OG-N 3.05Å; S55-L183 VanDerWaalsContact OG-N 3.09Å; A179-L183 WeakPolarHBondContact O-CG 3.4Å; A179-L183 PolarHBondContact O-N 3.37Å; L180-L183 PolarHBondContact O-N 2.91Å |
| 184 | L | 97.7 | Very high | 97.5 | Very high | 77 Ų | 77 | 30.9 Ų | 30.9 | 40% | 0.403 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -81.9 | -55 | 173.8 | 176.8 | 63 | 0 | 0 | 0 | 112.3 | L180 G181 H182 Y188 | L180-L184 PolarHBondContact O-N 3.32Å; G181-L184 PolarHBondContact O-N 2.63Å; H182-L184 PolarHBondContact O-N 2.8Å; L184-Y188 HydrophobicContact CD1-CE2 4.42Å; L184-Y188 WeakPolarHBondContact O-CD2 3.26Å; L184-Y188 WeakPolarHBondContact O-CE2 3.38Å |
| 185 | A | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -90.3 | -13.5 | -159.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I143 A147 G181 H182 D187 Y188 T189 C191 | I143-A185 HydrophobicContact CG2-CB 3.72Å; A147-A185 HydrophobicContact CB-CB 4.33Å; G181-A185 WeakPolarHBondContact O-CB 3.43Å; G181-A185 PolarHBondContact O-N 3.31Å; H182-A185 PolarHBondContact O-N 3.38Å; A185-D187 VanDerWaalsContact C-N 3.34Å; A185-D187 PolarHBondContact O-N 3.15Å; A185-Y188 PolarHBondContact O-N 3.45Å; A185-T189 PolarHBondContact O-N 2.8Å; A185-T189 PolarHBondContact O-OG1 3.2Å; A185-C191 HydrophobicContact CB-CB 3.74Å; A185-C191 PolarHBondContact O-N 3.1Å |
| 186 | I | 97.3 | Very high | 97.5 | Very high | 25 Ų | 25 | 29.7 Ų | 29.7 | 13% | 0.128 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56 | -48 | -177.8 | -77.8 | 170 | 0 | 0 | 0 | 111.4 | N51 V54 S55 H182 Y188 G190 C191 | N51-I186 HydrophobicContact CB-CD1 4.45Å; N51-I186 WeakPolarHBondContact OD1-CG2 3.22Å; V54-I186 HydrophobicContact CB-CD1 4Å; V54-I186 HydrophobicContact CG1-CD1 3.83Å; S55-I186 WeakPolarHBondContact OG-CD1 3.41Å; H182-I186 HydrophobicContact CB-CD1 3.93Å; H182-I186 HydrophobicContact CB-CG1 4.23Å; H182-I186 WeakPolarHBondContact O-CB 3.26Å; H182-I186 WeakPolarHBondContact O-CD1 3.29Å; H182-I186 WeakPolarHBondContact O-CG1 3.49Å; H182-I186 PolarHBondContact O-N 2.92Å; H182-I186 VanDerWaalsContact O-N 3.1Å; I186-Y188 PolarHBondContact O-N 3.3Å; I186-G190 VanDerWaalsContact O-CA 3.3Å; I186-G190 WeakPolarHBondContact O-CA 3.48Å; I186-G190 PolarHBondContact O-N 2.99Å; I186-C191 HydrophobicContact CG1-CB 3.85Å |
| 187 | D | 96.3 | Very high | 97.5 | Very high | 94 Ų | 94 | 25.8 Ų | 25.8 | 50% | 0.503 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -68.7 | -17.7 | -174.2 | -69.4 | -40.1 | 0 | 0 | 0 | 113.9 | N51 S132 A185 | N51-D187 PolarHBondContact ND2-OD1 3.02Å; N51-D187 PolarHBondContact ND2-OD2 3.24Å; N51-D187 VanDerWaalsContact ND2-OD2 3.08Å; S132-D187 WeakPolarHBondContact CB-O 3.46Å; S132-D187 PolarHBondContact OG-O 3.16Å; A185-D187 VanDerWaalsContact C-N 3.34Å; A185-D187 PolarHBondContact O-N 3.15Å |
| 188 | Y | 97.4 | Very high | 97.5 | Very high | 93 Ų | 93 | 25.4 Ų | 25.4 | 37% | 0.365 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -104.7 | -40.5 | -174.4 | -56.5 | -86.5 | 0 | 0 | 0 | 113.1 | S132 I135 I143 L184 A185 I186 | S132-Y188 PolarHBondContact N-O 3.07Å; S132-Y188 PolarHBondContact OG-O 3.22Å; I135-Y188 HydrophobicContact CD1-CD1 3.71Å; I135-Y188 HydrophobicContact CD1-CE1 4.39Å; I135-Y188 HydrophobicContact CG1-CD1 4.18Å; I143-Y188 HydrophobicContact CD1-CD1 3.48Å; I143-Y188 VanDerWaalsContact CD1-CD1 3.48Å; I143-Y188 HydrophobicContact CD1-CD2 3.79Å; I143-Y188 HydrophobicContact CD1-CE1 4.14Å; I143-Y188 HydrophobicContact CD1-CE2 4.42Å; I143-Y188 HydrophobicContact CD1-CG 3.28Å; I143-Y188 HydrophobicContact CG2-CD2 4.48Å; L184-Y188 HydrophobicContact CD1-CE2 4.42Å; L184-Y188 WeakPolarHBondContact O-CD2 3.26Å; L184-Y188 WeakPolarHBondContact O-CE2 3.38Å; A185-Y188 PolarHBondContact O-N 3.45Å; I186-Y188 PolarHBondContact O-N 3.3Å |
| 189 | T | 97.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -135.9 | 2.1 | -170.2 | 67.5 | 0 | 0 | 0 | 0 | 113.6 | N129 A130 L131 E144 A185 C191 | N129-T189 PolarHBondContact ND2-O 3.17Å; N129-T189 VanDerWaalsContact ND2-O 3.13Å; A130-T189 PolarHBondContact N-O 3.06Å; A130-T189 CarbonylContact O-C 3.13Å; A130-T189 WeakPolarHBondContact O-CA 3.45Å; L131-T189 HydrophobicContact CD2-CG2 4.07Å; E144-T189 HydrophobicContact CG-CG2 4.35Å; E144-T189 WeakPolarHBondContact OE1-CB 3.41Å; E144-T189 PolarHBondContact OE1-OG1 3.03Å; A185-T189 PolarHBondContact O-N 2.8Å; A185-T189 PolarHBondContact O-OG1 3.2Å; T189-C191 PolarHBondContact O-N 3Å; T189-C191 PolarHBondContact OG1-N 2.99Å |
| 190 | G | 95.7 | Very high | 97.5 | Very high | 23 Ų | 23 | 27.3 Ų | 27.3 | 24% | 0.237 | 14% | 0.141 | C | C | . | . | S | Bend | trans | 71.3 | 9.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | N129 I186 R197 | N129-G190 PolarHBondContact ND2-O 3.5Å; I186-G190 VanDerWaalsContact O-CA 3.3Å; I186-G190 WeakPolarHBondContact O-CA 3.48Å; I186-G190 PolarHBondContact O-N 2.99Å; G190-R197 PolarHBondContact O-NH2 2.79Å; G190-R197 VanDerWaalsContact O-NH2 3.17Å |
| 191 | C | 96.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.115 | C | C | . | . | trans | 54.4 | 95.7 | -174.2 | -175.8 | 0 | 0 | 0 | 0 | 113.9 | N129 H182 A185 I186 T189 R197 | N129-C191 PolarHBondContact ND2-N 2.97Å; N129-C191 PolarHBondContact ND2-O 3.22Å; H182-C191 VanDerWaalsContact CA-SG 3.54Å; H182-C191 HydrophobicContact CB-CB 4.48Å; H182-C191 PolarHBondContact CD2-SG 3.5Å; H182-C191 PolarHBondContact NE2-SG 3.4Å; A185-C191 HydrophobicContact CB-CB 3.74Å; A185-C191 PolarHBondContact O-N 3.1Å; I186-C191 HydrophobicContact CG1-CB 3.85Å; T189-C191 PolarHBondContact O-N 3Å; T189-C191 PolarHBondContact OG1-N 2.99Å; C191-R197 PolarHBondContact O-NE 2.79Å | ||
| 192 | G | 91.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | trans | -75.4 | -73.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | N129 E144 N194 S198 | N129-G192 PolarHBondContact ND2-N 2.97Å; E144-G192 WeakPolarHBondContact OE1-CA 3.37Å; E144-G192 PolarHBondContact OE1-N 3.19Å; E144-G192 WeakPolarHBondContact OE2-CA 3.39Å; G192-N194 WeakPolarHBondContact O-CB 3.24Å; G192-N194 PolarHBondContact O-N 2.68Å; G192-S198 WeakPolarHBondContact CA-OG 3.38Å | ||
| 193 | I | 97.4 | Very high | 97.4 | Very high | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.015 | 13% | 0.133 | C | C | . | . | trans | 45.9 | -3.1 | -173.6 | 70.1 | 171.4 | 0 | 0 | 0 | 116.5 | N78 E144 A147 T148 L151 V178 | N78-I193 PolarHBondContact ND2-O 2.93Å; E144-I193 PolarHBondContact OE2-N 3.3Å; A147-I193 HydrophobicContact CB-CG2 3.5Å; T148-I193 WeakPolarHBondContact OG1-CA 3.49Å; L151-I193 HydrophobicContact CD2-CD1 4.19Å; V178-I193 HydrophobicContact CG1-CD1 4.3Å | ||
| 194 | N | 98.2 | Very high | 97.4 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 3% | 0.027 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -150.9 | 107 | -169.2 | -179.5 | -25.5 | 0 | 0 | 0 | 107.4 | L77 N78 P79 G192 A196 R197 S198 | L77-N194 PolarHBondContact O-ND2 3.33Å; N78-N194 HydrophobicContact CB-CB 4.4Å; N78-N194 WeakPolarHBondContact ND2-CB 3.45Å; N78-N194 WeakPolarHBondContact OD1-CA 3.47Å; P79-N194 VanDerWaalsContact CD-OD1 3.32Å; P79-N194 WeakPolarHBondContact CD-OD1 3.43Å; G192-N194 WeakPolarHBondContact O-CB 3.24Å; G192-N194 PolarHBondContact O-N 2.68Å; N194-A196 VanDerWaalsContact C-N 3.31Å; N194-A196 PolarHBondContact O-N 2.91Å; N194-A196 PolarHBondContact OD1-N 3.49Å; N194-R197 HydrophobicContact CB-CB 3.79Å; N194-R197 WeakPolarHBondContact O-CB 3.24Å; N194-R197 PolarHBondContact O-N 3.46Å; N194-R197 PolarHBondContact OD1-N 3.21Å; N194-R197 VanDerWaalsContact OD1-N 3.13Å; N194-S198 PolarHBondContact O-N 3.42Å; N194-S198 PolarHBondContact O-OG 3.4Å |
| 195 | P | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -59.5 | -38.6 | -179 | -26.7 | 34.1 | 0 | 0 | 0 | 113.7 | N78 P79 S198 F199 F214 W215 P218 | N78-P195 WeakPolarHBondContact OD1-CD 3.19Å; P79-P195 HydrophobicContact CB-CB 4.18Å; P79-P195 HydrophobicContact CB-CG 4.08Å; P79-P195 HydrophobicContact CG-CB 4.2Å; P195-S198 PolarHBondContact O-N 3.35Å; P195-F199 VanDerWaalsContact O-CB 3.23Å; P195-F199 WeakPolarHBondContact O-CB 3.39Å; P195-F199 PolarHBondContact O-N 3.15Å; P195-F214 WeakPolarHBondContact CA-O 3.19Å; P195-F214 WeakPolarHBondContact CB-O 2.99Å; P195-F214 WeakPolarHBondContact CG-O 3.1Å; P195-W215 HydrophobicContact CB-CD2 3.67Å; P195-W215 HydrophobicContact CB-CE3 3.54Å; P195-W215 HydrophobicContact CB-CG 4.26Å; P195-W215 HydrophobicContact CB-CH2 4.1Å; P195-W215 HydrophobicContact CB-CZ2 4.21Å; P195-W215 HydrophobicContact CB-CZ3 3.77Å; P195-W215 HydrophobicContact CG-CE3 4.27Å; P195-P218 HydrophobicContact CG-CB 3.95Å; P195-P218 HydrophobicContact CG-CG 4.39Å |
| 196 | A | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67 | -40 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | M21 P79 Q103 A107 N194 S198 F199 G200 | M21-A196 HydrophobicContact CE-CB 3.69Å; P79-A196 HydrophobicContact CG-CB 3.65Å; Q103-A196 HydrophobicContact CB-CB 3.99Å; A107-A196 HydrophobicContact CB-CB 4.48Å; A107-A196 WeakPolarHBondContact CB-O 3.34Å; N194-A196 VanDerWaalsContact C-N 3.31Å; N194-A196 PolarHBondContact O-N 2.91Å; N194-A196 PolarHBondContact OD1-N 3.49Å; A196-S198 VanDerWaalsContact C-N 3.32Å; A196-S198 PolarHBondContact O-N 3.22Å; A196-F199 PolarHBondContact O-N 3.03Å; A196-G200 PolarHBondContact O-N 2.75Å |
| 197 | R | 98.3 | Very high | 97.2 | Very high | 11 Ų | 11 | 30.2 Ų | 30.2 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.5 | -45.8 | 173.2 | 171.3 | -97.4 | -171.7 | -86.9 | 11.4 | 111.7 | M21 I25 F58 G127 N129 G190 C191 N194 | M21-R197 HydrophobicContact CE-CB 4.36Å; I25-R197 HydrophobicContact CD1-CB 3.61Å; I25-R197 HydrophobicContact CD1-CG 3.65Å; F58-R197 HydrophobicContact CE1-CG 4.22Å; G127-R197 PolarHBondContact O-NH1 3.46Å; G127-R197 PolarHBondContact O-NH2 2.89Å; N129-R197 VanDerWaalsContact OD1-CD 3.3Å; N129-R197 WeakPolarHBondContact OD1-CD 3.35Å; N129-R197 PolarHBondContact OD1-NE 2.94Å; N129-R197 PolarHBondContact OD1-NH1 3.07Å; G190-R197 PolarHBondContact O-NH2 2.79Å; G190-R197 VanDerWaalsContact O-NH2 3.17Å; C191-R197 PolarHBondContact O-NE 2.79Å; N194-R197 HydrophobicContact CB-CB 3.79Å; N194-R197 WeakPolarHBondContact O-CB 3.24Å; N194-R197 PolarHBondContact O-N 3.46Å; N194-R197 PolarHBondContact OD1-N 3.21Å; N194-R197 VanDerWaalsContact OD1-N 3.13Å |
| 198 | S | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -70.3 | -40.2 | -178.9 | -51.3 | 0 | 0 | 0 | 0 | 110.8 | N129 G192 N194 P195 A196 A202 F214 | N129-S198 PolarHBondContact OD1-OG 2.95Å; G192-S198 WeakPolarHBondContact CA-OG 3.38Å; N194-S198 PolarHBondContact O-N 3.42Å; N194-S198 PolarHBondContact O-OG 3.4Å; P195-S198 PolarHBondContact O-N 3.35Å; A196-S198 VanDerWaalsContact C-N 3.32Å; A196-S198 PolarHBondContact O-N 3.22Å; S198-A202 WeakPolarHBondContact O-CB 3.46Å; S198-A202 PolarHBondContact O-N 3.17Å; S198-A202 VanDerWaalsContact O-N 3.12Å; S198-F214 VanDerWaalsContact CB-CB 3.48Å; S198-F214 WeakPolarHBondContact OG-CB 3.47Å |
| 199 | F | 98.7 | Very high | 97.2 | Very high | 53 Ų | 53 | 32 Ų | 32 | 23% | 0.232 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 179.4 | 178 | -106.3 | 0 | 0 | 0 | 112.9 | C104 V108 P195 A196 S201 A202 L203 F208 H211 W215 | C104-F199 HydrophobicContact CB-CD1 4.05Å; C104-F199 HydrophobicContact CB-CE1 4.3Å; V108-F199 HydrophobicContact CG2-CD1 3.97Å; V108-F199 HydrophobicContact CG2-CE1 3.76Å; P195-F199 VanDerWaalsContact O-CB 3.23Å; P195-F199 WeakPolarHBondContact O-CB 3.39Å; P195-F199 PolarHBondContact O-N 3.15Å; A196-F199 PolarHBondContact O-N 3.03Å; F199-S201 PolarHBondContact O-N 3.48Å; F199-A202 PolarHBondContact O-N 3.43Å; F199-L203 HydrophobicContact CE1-CD2 4.1Å; F199-L203 HydrophobicContact CZ-CB 4.43Å; F199-L203 HydrophobicContact CZ-CD2 3.96Å; F199-L203 WeakPolarHBondContact O-CB 3.34Å; F199-L203 PolarHBondContact O-N 2.82Å; F199-F208 HydrophobicContact CD2-CE1 4.37Å; F199-F208 HydrophobicContact CE2-CE1 4.3Å; F199-H211 AromaticContact CD2-NE2 3.91Å; F199-W215 HydrophobicContact CB-CZ2 3.98Å; F199-W215 HydrophobicContact CD2-CZ2 4.26Å; F199-W215 HydrophobicContact CG-CZ2 4.16Å |
| 200 | G | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -55.6 | -50 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A196 I204 | A196-G200 PolarHBondContact O-N 2.75Å; G200-I204 WeakPolarHBondContact O-CG1 3.48Å; G200-I204 PolarHBondContact O-N 3.05Å |
| 201 | S | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.3 | -44 | 176.1 | -60 | 0 | 0 | 0 | 0 | 112.9 | I29 L126 F199 L203 I204 A205 | I29-S201 WeakPolarHBondContact CD1-OG 3.49Å; L126-S201 WeakPolarHBondContact O-CB 3.45Å; L126-S201 PolarHBondContact O-OG 3.4Å; F199-S201 PolarHBondContact O-N 3.48Å; S201-L203 VanDerWaalsContact C-N 3.34Å; S201-L203 PolarHBondContact O-N 3.36Å; S201-I204 PolarHBondContact O-N 3.35Å; S201-A205 WeakPolarHBondContact O-CB 3.41Å; S201-A205 PolarHBondContact O-N 2.66Å |
| 202 | A | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | L128 S198 F199 N206 N207 F208 H211 | L128-A202 VanDerWaalsContact CD1-CA 3.46Å; L128-A202 HydrophobicContact CD1-CB 3.97Å; S198-A202 WeakPolarHBondContact O-CB 3.46Å; S198-A202 PolarHBondContact O-N 3.17Å; S198-A202 VanDerWaalsContact O-N 3.12Å; F199-A202 PolarHBondContact O-N 3.43Å; A202-N206 WeakPolarHBondContact O-CA 3.34Å; A202-N206 PolarHBondContact O-N 3.26Å; A202-N207 VanDerWaalsContact CA-O 3.31Å; A202-N207 WeakPolarHBondContact CA-O 3.08Å; A202-N207 VanDerWaalsContact CB-O 3.24Å; A202-N207 WeakPolarHBondContact CB-O 3.25Å; A202-N207 PolarHBondContact O-N 3.45Å; A202-F208 HydrophobicContact CB-CD1 3.91Å; A202-F208 HydrophobicContact CB-CE1 3.82Å; A202-F208 HydrophobicContact CB-CZ 4.36Å; A202-H211 VanDerWaalsContact CB-CE1 3.49Å; A202-H211 WeakPolarHBondContact CB-CE1 3.29Å; A202-H211 WeakPolarHBondContact CB-ND1 3.33Å |
| 203 | L | 98.2 | Very high | 97.8 | Very high | 74 Ų | 74 | 40.5 Ų | 40.5 | 39% | 0.387 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -67.8 | -46.4 | -179.6 | -174.3 | 66 | 0 | 0 | 0 | 112.2 | V108 F199 S201 N206 F208 | V108-L203 HydrophobicContact CB-CD2 4.45Å; V108-L203 HydrophobicContact CG1-CD2 3.9Å; V108-L203 HydrophobicContact CG2-CB 4.47Å; V108-L203 HydrophobicContact CG2-CD2 3.6Å; F199-L203 HydrophobicContact CE1-CD2 4.1Å; F199-L203 HydrophobicContact CZ-CB 4.43Å; F199-L203 HydrophobicContact CZ-CD2 3.96Å; F199-L203 WeakPolarHBondContact O-CB 3.34Å; F199-L203 PolarHBondContact O-N 2.82Å; S201-L203 VanDerWaalsContact C-N 3.34Å; S201-L203 PolarHBondContact O-N 3.36Å; L203-N206 PolarHBondContact O-N 3.02Å; L203-F208 HydrophobicContact CB-CZ 4.24Å; L203-F208 HydrophobicContact CD1-CZ 3.98Å |
| 204 | I | 97.8 | Very high | 97.8 | Very high | 57 Ų | 57 | 40.4 Ų | 40.4 | 29% | 0.292 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -72.8 | -35.9 | -177.6 | -59.8 | -56.8 | 0 | 0 | 0 | 111.7 | V108 T111 A112 L126 G200 S201 N206 | V108-I204 HydrophobicContact CG1-CD1 4.03Å; T111-I204 HydrophobicContact CG2-CB 3.74Å; T111-I204 HydrophobicContact CG2-CG1 3.8Å; T111-I204 HydrophobicContact CG2-CG2 4.13Å; A112-I204 HydrophobicContact CB-CD1 3.8Å; A112-I204 HydrophobicContact CB-CG1 4.29Å; L126-I204 HydrophobicContact CD1-CB 4.29Å; L126-I204 HydrophobicContact CD1-CG2 3.55Å; G200-I204 WeakPolarHBondContact O-CG1 3.48Å; G200-I204 PolarHBondContact O-N 3.05Å; S201-I204 PolarHBondContact O-N 3.35Å; I204-N206 VanDerWaalsContact C-N 3.25Å; I204-N206 PolarHBondContact O-N 2.86Å |
| 205 | A | 95.6 | Very high | 97.8 | Very high | 34 Ų | 34 | 43.7 Ų | 43.7 | 28% | 0.281 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -79.8 | -6.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S201 N207 | S201-A205 WeakPolarHBondContact O-CB 3.41Å; S201-A205 PolarHBondContact O-N 2.66Å; A205-N207 PolarHBondContact O-N 2.87Å |
| 206 | N | 96.2 | Very high | 97.8 | Very high | 135 Ų | 135 | 46.4 Ų | 46.4 | 72% | 0.722 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 41.6 | -171.8 | -167.9 | 42.7 | 0 | 0 | 0 | 113.1 | A202 L203 I204 | A202-N206 WeakPolarHBondContact O-CA 3.34Å; A202-N206 PolarHBondContact O-N 3.26Å; L203-N206 PolarHBondContact O-N 3.02Å; I204-N206 VanDerWaalsContact C-N 3.25Å; I204-N206 PolarHBondContact O-N 2.86Å |
| 207 | N | 96.8 | Very high | 97.8 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 27% | 0.273 | 23% | 0.226 | S | C | . | . | trans | -128.3 | 113.5 | 178.9 | -174.3 | -16.6 | 0 | 0 | 0 | 109.7 | L128 A202 A205 E209 | L128-N207 HydrophobicContact CD2-CB 3.77Å; A202-N207 VanDerWaalsContact CA-O 3.31Å; A202-N207 WeakPolarHBondContact CA-O 3.08Å; A202-N207 VanDerWaalsContact CB-O 3.24Å; A202-N207 WeakPolarHBondContact CB-O 3.25Å; A202-N207 PolarHBondContact O-N 3.45Å; A205-N207 PolarHBondContact O-N 2.87Å; N207-E209 VanDerWaalsContact OD1-CB 3.29Å; N207-E209 WeakPolarHBondContact OD1-CB 3.4Å; N207-E209 PolarHBondContact OD1-N 3.1Å | ||
| 208 | F | 97.3 | Very high | 97.8 | Very high | 88 Ų | 88 | 45.9 Ų | 45.9 | 39% | 0.386 | 22% | 0.224 | S | C | . | . | trans | -116.4 | 20.1 | -178.9 | -67.1 | -88.7 | 0 | 0 | 0 | 112.7 | F199 A202 L203 N210 H211 | F199-F208 HydrophobicContact CD2-CE1 4.37Å; F199-F208 HydrophobicContact CE2-CE1 4.3Å; A202-F208 HydrophobicContact CB-CD1 3.91Å; A202-F208 HydrophobicContact CB-CE1 3.82Å; A202-F208 HydrophobicContact CB-CZ 4.36Å; L203-F208 HydrophobicContact CB-CZ 4.24Å; L203-F208 HydrophobicContact CD1-CZ 3.98Å; F208-N210 PolarHBondContact O-N 3.36Å; F208-H211 HydrophobicContact CB-CB 4.03Å; F208-H211 HydrophobicContact CD1-CB 4.12Å; F208-H211 AromaticContact CD1-CD2 3.8Å; F208-H211 AromaticContact CD1-CG 3.81Å; F208-H211 WeakPolarHBondContact O-CB 3.45Å; F208-H211 PolarHBondContact O-N 3.14Å | ||
| 209 | E | 96.9 | Very high | 97.8 | Very high | 137 Ų | 137 | 48.9 Ų | 48.9 | 64% | 0.64 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | 124 | 177.1 | -173.8 | 175.3 | -178.7 | 0 | 0 | 110.7 | N207 H211 | N207-E209 VanDerWaalsContact OD1-CB 3.29Å; N207-E209 WeakPolarHBondContact OD1-CB 3.4Å; N207-E209 PolarHBondContact OD1-N 3.1Å; E209-H211 PolarHBondContact O-N 3.34Å |
| 210 | N | 96.9 | Very high | 97.8 | Very high | 55 Ų | 55 | 49.7 Ų | 49.7 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 19 | -176 | -63.9 | -55.6 | 0 | 0 | 0 | 115.2 | L131 F208 W212 I213 | L131-N210 HydrophobicContact CD1-CB 4.19Å; L131-N210 HydrophobicContact CG-CB 4.44Å; F208-N210 PolarHBondContact O-N 3.36Å; N210-W212 PolarHBondContact O-N 3.37Å; N210-W212 VanDerWaalsContact O-N 3.08Å; N210-I213 HydrophobicContact CB-CD1 3.89Å; N210-I213 WeakPolarHBondContact O-CB 3.49Å; N210-I213 WeakPolarHBondContact O-CG1 3.4Å; N210-I213 PolarHBondContact O-N 2.66Å |
| 211 | H | 98.1 | Very high | 97.8 | Very high | 19 Ų | 19 | 49.7 Ų | 49.7 | 9% | 0.088 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -27.5 | -171.1 | -172.1 | 72.1 | 0 | 0 | 0 | 114.1 | F199 A202 F208 E209 I213 F214 W215 | F199-H211 AromaticContact CD2-NE2 3.91Å; A202-H211 VanDerWaalsContact CB-CE1 3.49Å; A202-H211 WeakPolarHBondContact CB-CE1 3.29Å; A202-H211 WeakPolarHBondContact CB-ND1 3.33Å; F208-H211 HydrophobicContact CB-CB 4.03Å; F208-H211 HydrophobicContact CD1-CB 4.12Å; F208-H211 AromaticContact CD1-CD2 3.8Å; F208-H211 AromaticContact CD1-CG 3.81Å; F208-H211 WeakPolarHBondContact O-CB 3.45Å; F208-H211 PolarHBondContact O-N 3.14Å; E209-H211 PolarHBondContact O-N 3.34Å; H211-I213 PolarHBondContact O-N 3.09Å; H211-I213 VanDerWaalsContact O-N 3.16Å; H211-F214 AromaticContact ND1-CD2 3.99Å; H211-F214 PolarHBondContact O-N 2.83Å; H211-F214 VanDerWaalsContact O-N 3.08Å; H211-W215 AromaticContact CD2-CD1 3.68Å; H211-W215 AromaticContact CD2-NE1 3.49Å; H211-W215 PolarHBondContact CD2-NE1 2.9Å; H211-W215 AromaticContact CE1-NE1 4Å; H211-W215 AromaticContact NE2-CD1 3.56Å; H211-W215 AromaticContact NE2-NE1 2.98Å; H211-W215 PolarHBondContact NE2-NE1 3.45Å |
| 212 | W | 98.3 | Very high | 97.8 | Very high | 128 Ų | 128 | 49.7 Ų | 49.7 | 49% | 0.485 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -30 | 177.3 | 70.1 | -91.4 | 0 | 0 | 0 | 112.8 | A137 L141 N210 F214 W215 V216 | A137-W212 HydrophobicContact CB-CZ2 4.23Å; L141-W212 HydrophobicContact CD1-CZ3 4.25Å; L141-W212 HydrophobicContact CD2-CH2 4.32Å; L141-W212 HydrophobicContact CD2-CZ3 4.3Å; N210-W212 PolarHBondContact O-N 3.37Å; N210-W212 VanDerWaalsContact O-N 3.08Å; W212-F214 VanDerWaalsContact C-N 3.26Å; W212-F214 PolarHBondContact O-N 2.98Å; W212-W215 PolarHBondContact O-N 3.46Å; W212-W215 VanDerWaalsContact O-N 3.14Å; W212-V216 HydrophobicContact CE3-CB 4.06Å; W212-V216 HydrophobicContact CE3-CG2 3.87Å; W212-V216 HydrophobicContact CZ3-CB 4.26Å; W212-V216 HydrophobicContact CZ3-CG1 4.39Å; W212-V216 HydrophobicContact CZ3-CG2 4.41Å; W212-V216 WeakPolarHBondContact O-CG2 3.48Å; W212-V216 PolarHBondContact O-N 3.15Å |
| 213 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 178.9 | -61.1 | 176 | 0 | 0 | 0 | 110.5 | L131 A137 L141 E144 N210 H211 W215 V216 G217 P218 | L131-I213 HydrophobicContact CD1-CD1 3.98Å; L131-I213 HydrophobicContact CD2-CD1 4.09Å; L131-I213 HydrophobicContact CG-CD1 4.37Å; A137-I213 HydrophobicContact CB-CD1 3.76Å; L141-I213 HydrophobicContact CB-CG2 4.08Å; L141-I213 HydrophobicContact CD1-CG2 4.14Å; E144-I213 HydrophobicContact CG-CG2 4.23Å; N210-I213 HydrophobicContact CB-CD1 3.89Å; N210-I213 WeakPolarHBondContact O-CB 3.49Å; N210-I213 WeakPolarHBondContact O-CG1 3.4Å; N210-I213 PolarHBondContact O-N 2.66Å; H211-I213 PolarHBondContact O-N 3.09Å; H211-I213 VanDerWaalsContact O-N 3.16Å; I213-W215 PolarHBondContact O-N 3.26Å; I213-V216 PolarHBondContact O-N 3.37Å; I213-G217 PolarHBondContact O-N 3.24Å; I213-P218 WeakPolarHBondContact O-CD 3.5Å |
| 214 | F | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -75.7 | -5.8 | -178.3 | -51.3 | -56.6 | 0 | 0 | 0 | 113.9 | N129 E144 P195 S198 H211 W212 P218 | N129-F214 HydrophobicContact CB-CD1 3.98Å; N129-F214 HydrophobicContact CB-CD2 3.96Å; N129-F214 HydrophobicContact CB-CE1 3.62Å; N129-F214 HydrophobicContact CB-CE2 3.6Å; N129-F214 HydrophobicContact CB-CG 4.16Å; N129-F214 HydrophobicContact CB-CZ 3.43Å; N129-F214 VanDerWaalsContact CB-CZ 3.43Å; N129-F214 VanDerWaalsContact O-CE2 3.23Å; N129-F214 WeakPolarHBondContact O-CE2 3.35Å; E144-F214 HydrophobicContact CG-CD1 4.31Å; P195-F214 WeakPolarHBondContact CA-O 3.19Å; P195-F214 WeakPolarHBondContact CB-O 2.99Å; P195-F214 WeakPolarHBondContact CG-O 3.1Å; S198-F214 VanDerWaalsContact CB-CB 3.48Å; S198-F214 WeakPolarHBondContact OG-CB 3.47Å; H211-F214 AromaticContact ND1-CD2 3.99Å; H211-F214 PolarHBondContact O-N 2.83Å; H211-F214 VanDerWaalsContact O-N 3.08Å; W212-F214 VanDerWaalsContact C-N 3.26Å; W212-F214 PolarHBondContact O-N 2.98Å; F214-P218 WeakPolarHBondContact O-CD 3.3Å; F214-P218 WeakPolarHBondContact O-CG 3.38Å |
| 215 | W | 98.6 | Very high | 97.8 | Very high | 74 Ų | 74 | 46.2 Ų | 46.2 | 28% | 0.28 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -99.7 | -55.2 | 167 | -72.8 | 85.2 | 0 | 0 | 0 | 110.6 | P195 F199 H211 W212 I213 I219 | P195-W215 HydrophobicContact CB-CD2 3.67Å; P195-W215 HydrophobicContact CB-CE3 3.54Å; P195-W215 HydrophobicContact CB-CG 4.26Å; P195-W215 HydrophobicContact CB-CH2 4.1Å; P195-W215 HydrophobicContact CB-CZ2 4.21Å; P195-W215 HydrophobicContact CB-CZ3 3.77Å; P195-W215 HydrophobicContact CG-CE3 4.27Å; F199-W215 HydrophobicContact CB-CZ2 3.98Å; F199-W215 HydrophobicContact CD2-CZ2 4.26Å; F199-W215 HydrophobicContact CG-CZ2 4.16Å; H211-W215 AromaticContact CD2-CD1 3.68Å; H211-W215 AromaticContact CD2-NE1 3.49Å; H211-W215 PolarHBondContact CD2-NE1 2.9Å; H211-W215 AromaticContact CE1-NE1 4Å; H211-W215 AromaticContact NE2-CD1 3.56Å; H211-W215 AromaticContact NE2-NE1 2.98Å; H211-W215 PolarHBondContact NE2-NE1 3.45Å; W212-W215 PolarHBondContact O-N 3.46Å; W212-W215 VanDerWaalsContact O-N 3.14Å; I213-W215 PolarHBondContact O-N 3.26Å; W215-I219 HydrophobicContact CE3-CD1 4.43Å; W215-I219 VanDerWaalsContact O-CB 3.24Å; W215-I219 WeakPolarHBondContact O-CB 3.39Å; W215-I219 WeakPolarHBondContact O-CD1 3.16Å; W215-I219 WeakPolarHBondContact O-CG1 3.41Å; W215-I219 PolarHBondContact O-N 2.93Å |
| 216 | V | 98.6 | Very high | 97.8 | Very high | 56 Ų | 56 | 44.8 Ų | 44.8 | 34% | 0.339 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.3 | -45.7 | -172.9 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | L141 W212 I213 I219 I220 | L141-V216 HydrophobicContact CD1-CB 4.24Å; L141-V216 HydrophobicContact CD1-CG1 4.06Å; W212-V216 HydrophobicContact CE3-CB 4.06Å; W212-V216 HydrophobicContact CE3-CG2 3.87Å; W212-V216 HydrophobicContact CZ3-CB 4.26Å; W212-V216 HydrophobicContact CZ3-CG1 4.39Å; W212-V216 HydrophobicContact CZ3-CG2 4.41Å; W212-V216 WeakPolarHBondContact O-CG2 3.48Å; W212-V216 PolarHBondContact O-N 3.15Å; I213-V216 PolarHBondContact O-N 3.37Å; V216-I219 PolarHBondContact O-N 2.88Å; V216-I220 HydrophobicContact CG1-CD1 3.58Å; V216-I220 HydrophobicContact CG1-CG1 4.31Å; V216-I220 WeakPolarHBondContact O-CB 3.34Å; V216-I220 VanDerWaalsContact O-CG1 3.28Å; V216-I220 WeakPolarHBondContact O-CG1 3.43Å; V216-I220 PolarHBondContact O-N 2.81Å |
| 217 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.7 | -56.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L141 I145 I213 I219 I220 G221 | L141-G217 VanDerWaalsContact CD1-CA 3.47Å; I145-G217 WeakPolarHBondContact CG1-O 3.48Å; I213-G217 PolarHBondContact O-N 3.24Å; G217-I219 VanDerWaalsContact C-N 3.34Å; G217-I219 PolarHBondContact O-N 3.45Å; G217-I220 PolarHBondContact O-N 2.89Å; G217-G221 PolarHBondContact O-N 3.19Å |
| 218 | P | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -37.4 | 178.2 | -28.4 | 38.8 | 0 | 0 | 0 | 114.2 | A80 T148 P195 I213 F214 G221 G222 | A80-P218 HydrophobicContact CB-CB 3.75Å; T148-P218 HydrophobicContact CG2-CB 3.86Å; T148-P218 WeakPolarHBondContact CG2-O 3.22Å; T148-P218 WeakPolarHBondContact OG1-CA 3.42Å; T148-P218 WeakPolarHBondContact OG1-CB 3.37Å; P195-P218 HydrophobicContact CG-CB 3.95Å; P195-P218 HydrophobicContact CG-CG 4.39Å; I213-P218 WeakPolarHBondContact O-CD 3.5Å; F214-P218 WeakPolarHBondContact O-CD 3.3Å; F214-P218 WeakPolarHBondContact O-CG 3.38Å; P218-G221 PolarHBondContact O-N 3.46Å; P218-G222 PolarHBondContact O-N 2.94Å |
| 219 | I | 98.3 | Very high | 97.8 | Very high | 64 Ų | 64 | 40 Ų | 40 | 33% | 0.328 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62 | -46.9 | 175.9 | -77 | 171.3 | 0 | 0 | 0 | 111.4 | L83 W215 V216 G217 G222 A223 | L83-I219 HydrophobicContact CD2-CB 4.08Å; L83-I219 HydrophobicContact CD2-CG1 3.91Å; L83-I219 HydrophobicContact CD2-CG2 3.59Å; W215-I219 HydrophobicContact CE3-CD1 4.43Å; W215-I219 VanDerWaalsContact O-CB 3.24Å; W215-I219 WeakPolarHBondContact O-CB 3.39Å; W215-I219 WeakPolarHBondContact O-CD1 3.16Å; W215-I219 WeakPolarHBondContact O-CG1 3.41Å; W215-I219 PolarHBondContact O-N 2.93Å; V216-I219 PolarHBondContact O-N 2.88Å; G217-I219 VanDerWaalsContact C-N 3.34Å; G217-I219 PolarHBondContact O-N 3.45Å; I219-G222 PolarHBondContact O-N 3.47Å; I219-A223 VanDerWaalsContact O-CB 3.28Å; I219-A223 WeakPolarHBondContact O-CB 3.41Å; I219-A223 PolarHBondContact O-N 3.08Å |
| 220 | I | 98.6 | Very high | 97.6 | Very high | 71 Ų | 71 | 33.5 Ų | 33.5 | 36% | 0.364 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.5 | -44 | 177.7 | -69.3 | 172 | 0 | 0 | 0 | 110.5 | I145 V216 G217 A223 S224 | I145-I220 HydrophobicContact CD1-CB 4.33Å; I145-I220 HydrophobicContact CD1-CD1 4.41Å; I145-I220 HydrophobicContact CD1-CG2 3.96Å; I145-I220 HydrophobicContact CG1-CB 4.12Å; I145-I220 HydrophobicContact CG1-CG2 4.05Å; I145-I220 HydrophobicContact CG2-CG2 4.19Å; V216-I220 HydrophobicContact CG1-CD1 3.58Å; V216-I220 HydrophobicContact CG1-CG1 4.31Å; V216-I220 WeakPolarHBondContact O-CB 3.34Å; V216-I220 VanDerWaalsContact O-CG1 3.28Å; V216-I220 WeakPolarHBondContact O-CG1 3.43Å; V216-I220 PolarHBondContact O-N 2.81Å; G217-I220 PolarHBondContact O-N 2.89Å; I220-A223 PolarHBondContact O-N 3.41Å; I220-S224 VanDerWaalsContact O-CB 3.28Å; I220-S224 WeakPolarHBondContact O-CB 3.49Å; I220-S224 PolarHBondContact O-N 3.26Å; I220-S224 PolarHBondContact O-OG 2.98Å |
| 221 | G | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I145 L149 G217 P218 S224 A225 | I145-G221 WeakPolarHBondContact O-CA 3.46Å; L149-G221 WeakPolarHBondContact CA-O 3.09Å; G217-G221 PolarHBondContact O-N 3.19Å; P218-G221 PolarHBondContact O-N 3.46Å; G221-S224 PolarHBondContact O-N 3.48Å; G221-A225 WeakPolarHBondContact O-CB 3.44Å; G221-A225 PolarHBondContact O-N 3.13Å |
| 222 | G | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.7 | -41.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | P218 I219 A225 A226 | P218-G222 PolarHBondContact O-N 2.94Å; I219-G222 PolarHBondContact O-N 3.47Å; G222-A225 PolarHBondContact O-N 3.02Å; G222-A226 PolarHBondContact O-N 3.01Å; G222-A226 VanDerWaalsContact O-N 3.11Å |
| 223 | A | 97.8 | Very high | 97.1 | Very high | 22 Ų | 22 | 40.2 Ų | 40.2 | 18% | 0.182 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -43.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L87 I219 I220 A225 A226 L227 | L87-A223 HydrophobicContact CD1-CB 3.45Å; L87-A223 VanDerWaalsContact CD1-CB 3.45Å; I219-A223 VanDerWaalsContact O-CB 3.28Å; I219-A223 WeakPolarHBondContact O-CB 3.41Å; I219-A223 PolarHBondContact O-N 3.08Å; I220-A223 PolarHBondContact O-N 3.41Å; A223-A225 VanDerWaalsContact C-N 3.34Å; A223-A225 PolarHBondContact O-N 2.95Å; A223-A226 PolarHBondContact O-N 3.49Å; A223-L227 WeakPolarHBondContact O-CG 3.15Å; A223-L227 PolarHBondContact O-N 2.63Å |
| 224 | S | 98.1 | Very high | 96.8 | Very high | 36 Ų | 36 | 41.3 Ų | 41.3 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 176.9 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | I220 G221 A226 L227 I228 | I220-S224 VanDerWaalsContact O-CB 3.28Å; I220-S224 WeakPolarHBondContact O-CB 3.49Å; I220-S224 PolarHBondContact O-N 3.26Å; I220-S224 PolarHBondContact O-OG 2.98Å; G221-S224 PolarHBondContact O-N 3.48Å; S224-A226 PolarHBondContact O-N 3.19Å; S224-L227 PolarHBondContact O-N 3.35Å; S224-I228 WeakPolarHBondContact O-CB 3.48Å; S224-I228 WeakPolarHBondContact O-CD1 3.38Å; S224-I228 WeakPolarHBondContact O-CG1 3.33Å; S224-I228 PolarHBondContact O-N 3.24Å |
| 225 | A | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L149 V152 L153 G221 G222 A223 I228 Y229 | L149-A225 HydrophobicContact CG-CB 4.3Å; L149-A225 WeakPolarHBondContact O-CB 3.41Å; V152-A225 HydrophobicContact CB-CB 3.72Å; V152-A225 HydrophobicContact CG1-CB 3.78Å; L153-A225 HydrophobicContact CB-CB 4.13Å; G221-A225 WeakPolarHBondContact O-CB 3.44Å; G221-A225 PolarHBondContact O-N 3.13Å; G222-A225 PolarHBondContact O-N 3.02Å; A223-A225 VanDerWaalsContact C-N 3.34Å; A223-A225 PolarHBondContact O-N 2.95Å; A225-I228 PolarHBondContact O-N 3.1Å; A225-Y229 WeakPolarHBondContact O-CB 3.27Å; A225-Y229 PolarHBondContact O-N 3.02Å |
| 226 | A | 95.6 | Very high | 95.7 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 3% | 0.025 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L87 L156 G222 A223 S224 D230 | L87-A226 HydrophobicContact CB-CB 4Å; L156-A226 VanDerWaalsContact CD1-CA 3.49Å; L156-A226 HydrophobicContact CD1-CB 4.12Å; G222-A226 PolarHBondContact O-N 3.01Å; G222-A226 VanDerWaalsContact O-N 3.11Å; A223-A226 PolarHBondContact O-N 3.49Å; S224-A226 PolarHBondContact O-N 3.19Å; A226-D230 WeakPolarHBondContact O-CB 3.49Å; A226-D230 PolarHBondContact O-N 3.23Å |
| 227 | L | 95.7 | Very high | 94.8 | Very high | 105 Ų | 105 | 48 Ų | 48 | 55% | 0.55 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 177.5 | -69.2 | 173.4 | 0 | 0 | 0 | 112.1 | A223 S224 F231 | A223-L227 WeakPolarHBondContact O-CG 3.15Å; A223-L227 PolarHBondContact O-N 2.63Å; S224-L227 PolarHBondContact O-N 3.35Å; L227-F231 HydrophobicContact CD2-CD2 4.17Å; L227-F231 HydrophobicContact CD2-CE2 4.11Å; L227-F231 WeakPolarHBondContact O-CB 3.33Å; L227-F231 PolarHBondContact O-N 3.18Å; L227-F231 VanDerWaalsContact O-N 3.16Å |
| 228 | I | 97.7 | Very high | 94 | Very high | 52 Ų | 52 | 50.9 Ų | 50.9 | 27% | 0.267 | 29% | 0.286 | S | S | . | . | I | π-helix | trans | -62.2 | -46.9 | -180 | -69.9 | 165.1 | 0 | 0 | 0 | 110.3 | L149 S224 A225 I232 L233 | L149-I228 HydrophobicContact CD1-CD1 4.05Å; S224-I228 WeakPolarHBondContact O-CB 3.48Å; S224-I228 WeakPolarHBondContact O-CD1 3.38Å; S224-I228 WeakPolarHBondContact O-CG1 3.33Å; S224-I228 PolarHBondContact O-N 3.24Å; A225-I228 PolarHBondContact O-N 3.1Å; I228-I232 HydrophobicContact CG1-CD1 4.47Å; I228-I232 WeakPolarHBondContact O-CA 3.4Å; I228-I232 WeakPolarHBondContact O-CB 3.45Å; I228-I232 PolarHBondContact O-N 2.89Å; I228-I232 VanDerWaalsContact O-N 3.13Å; I228-L233 HydrophobicContact CG2-CD1 3.57Å; I228-L233 HydrophobicContact CG2-CG 3.79Å; I228-L233 PolarHBondContact O-N 3.33Å |
| 229 | Y | 96.2 | Very high | 93.4 | Very high | 16 Ų | 16 | 55.1 Ų | 55.1 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | I | π-helix | trans | -68.9 | -52.2 | -176.9 | -164.6 | -102.5 | 0 | 0 | 0 | 112.3 | L153 L156 A157 D160 A225 F231 A234 | L153-Y229 HydrophobicContact CD1-CD2 3.69Å; L153-Y229 HydrophobicContact CD1-CG 4.18Å; L156-Y229 HydrophobicContact CB-CD1 3.89Å; L156-Y229 HydrophobicContact CB-CE1 4.34Å; L156-Y229 HydrophobicContact CB-CG 4.08Å; A157-Y229 WeakPolarHBondContact CA-OH 3.4Å; A157-Y229 HydrophobicContact CB-CD2 4.38Å; A157-Y229 HydrophobicContact CB-CE2 3.6Å; D160-Y229 HydrophobicContact CB-CE1 4.22Å; D160-Y229 WeakPolarHBondContact CB-OH 3.47Å; D160-Y229 PolarHBondContact OD2-OH 3.21Å; A225-Y229 WeakPolarHBondContact O-CB 3.27Å; A225-Y229 PolarHBondContact O-N 3.02Å; Y229-F231 PolarHBondContact O-N 3.31Å; Y229-A234 HydrophobicContact CD1-CB 4.42Å; Y229-A234 HydrophobicContact CD2-CB 4.49Å; Y229-A234 HydrophobicContact CE1-CB 4Å; Y229-A234 HydrophobicContact CE2-CB 4.07Å; Y229-A234 CarbonylContact O-C 3.56Å; Y229-A234 WeakPolarHBondContact O-CA 3.46Å; Y229-A234 PolarHBondContact O-N 2.9Å |
| 230 | D | 93 | Very high | 92.8 | Very high | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | I | π-helix | trans | -82.2 | -12 | -169.9 | -78.6 | -14.7 | 0 | 0 | 0 | 114.8 | S88 A226 P235 R236 R243 | S88-D230 WeakPolarHBondContact CA-OD2 3.24Å; S88-D230 WeakPolarHBondContact CB-OD2 3.36Å; S88-D230 PolarHBondContact OG-OD1 2.98Å; S88-D230 PolarHBondContact OG-OD2 3.06Å; A226-D230 WeakPolarHBondContact O-CB 3.49Å; A226-D230 PolarHBondContact O-N 3.23Å; D230-P235 WeakPolarHBondContact O-CA 3.34Å; D230-R236 IonicContact OD1-CZ 3.98Å; D230-R236 IonicContact OD1-NE 3.77Å; D230-R236 IonicContact OD1-NH2 3.94Å; D230-R236 PolarHBondContact OD1-NH2 3.35Å; D230-R236 IonicContact OD2-CZ 2.75Å; D230-R236 IonicContact OD2-NH2 2.81Å; D230-R243 IonicContact OD2-CZ 2.72Å; D230-R243 IonicContact OD2-NH2 3.8Å; D230-R243 PolarHBondContact OD2-NH2 2.94Å |
| 231 | F | 92 | Very high | 92.2 | Very high | 109 Ų | 109 | 57.5 Ų | 57.5 | 48% | 0.478 | 33% | 0.326 | S | S | . | . | I | π-helix | trans | -126 | -20.5 | -177.3 | -61.8 | -89 | 0 | 0 | 0 | 114.5 | L227 Y229 | L227-F231 HydrophobicContact CD2-CD2 4.17Å; L227-F231 HydrophobicContact CD2-CE2 4.11Å; L227-F231 WeakPolarHBondContact O-CB 3.33Å; L227-F231 PolarHBondContact O-N 3.18Å; L227-F231 VanDerWaalsContact O-N 3.16Å; Y229-F231 PolarHBondContact O-N 3.31Å |
| 232 | I | 95.1 | Very high | 91.5 | Very high | 123 Ų | 123 | 61.4 Ų | 61.4 | 63% | 0.631 | 35% | 0.347 | S | S | * | . | I | π-helix | trans | -112.3 | -56.1 | -177.8 | -52.9 | 178.6 | 0 | 0 | 0 | 110.6 | I228 | I228-I232 HydrophobicContact CG1-CD1 4.47Å; I228-I232 WeakPolarHBondContact O-CA 3.4Å; I228-I232 WeakPolarHBondContact O-CB 3.45Å; I228-I232 PolarHBondContact O-N 2.89Å; I228-I232 VanDerWaalsContact O-N 3.13Å |
| 233 | L | 95.1 | Very high | 90.9 | Very high | 111 Ų | 111 | 62.3 Ų | 62.3 | 58% | 0.581 | 35% | 0.35 | S | S | * | . | I | π-helix | trans | -86.8 | -46.1 | -169.4 | -60 | -178.2 | 0 | 0 | 0 | 113.5 | L153 I228 | L153-L233 HydrophobicContact CD1-CD1 4.48Å; I228-L233 HydrophobicContact CG2-CD1 3.57Å; I228-L233 HydrophobicContact CG2-CG 3.79Å; I228-L233 PolarHBondContact O-N 3.33Å |
| 234 | A | 92.3 | Very high | 90.5 | Very high | 24 Ų | 24 | 63.7 Ų | 63.7 | 20% | 0.198 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -134.3 | 63.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | R162 Y229 | R162-A234 PolarHBondContact NH1-O 3.09Å; R162-A234 PolarHBondContact NH2-O 3.41Å; Y229-A234 HydrophobicContact CD1-CB 4.42Å; Y229-A234 HydrophobicContact CD2-CB 4.49Å; Y229-A234 HydrophobicContact CE1-CB 4Å; Y229-A234 HydrophobicContact CE2-CB 4.07Å; Y229-A234 CarbonylContact O-C 3.56Å; Y229-A234 WeakPolarHBondContact O-CA 3.46Å; Y229-A234 PolarHBondContact O-N 2.9Å |
| 235 | P | 90.1 | Very high | 90 | Very high | 75 Ų | 75 | 67.7 Ų | 67.7 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | trans | -55.4 | 142.3 | -177.4 | -23.1 | 33.9 | 0 | 0 | 0 | 113.2 | R162 D230 | R162-P235 PolarHBondContact NH1-O 3.15Å; D230-P235 WeakPolarHBondContact O-CA 3.34Å | ||
| 236 | R | 83.6 | Confident | 89.5 | Confident | 63 Ų | 63 | 68.8 Ų | 68.8 | 24% | 0.238 | 38% | 0.375 | C | S | . | . | trans | -84.5 | 141.2 | 171.8 | -64.6 | -171.4 | -174 | 152.5 | 16.7 | 110 | S88 D230 S238 | S88-R236 PolarHBondContact O-NH1 3.11Å; S88-R236 PolarHBondContact OG-NH2 3.5Å; D230-R236 IonicContact OD1-CZ 3.98Å; D230-R236 IonicContact OD1-NE 3.77Å; D230-R236 IonicContact OD1-NH2 3.94Å; D230-R236 PolarHBondContact OD1-NH2 3.35Å; D230-R236 IonicContact OD2-CZ 2.75Å; D230-R236 IonicContact OD2-NH2 2.81Å; R236-S238 VanDerWaalsContact C-N 3.28Å | ||
| 237 | S | 80 | Confident | 89.2 | Confident | 133 Ų | 133 | 72.4 Ų | 72.4 | 93% | 0.93 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -77.8 | -12.2 | 177.4 | 50 | 0 | 0 | 0 | 0 | 113.8 | ||
| 238 | S | 81.6 | Confident | 88.7 | Confident | 60 Ų | 60 | 71.8 Ų | 71.8 | 42% | 0.42 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -78.9 | 147.2 | 178.3 | 51.3 | 0 | 0 | 0 | 0 | 112.3 | R236 | R236-S238 VanDerWaalsContact C-N 3.28Š|
| 239 | D | 86.2 | Confident | 87.6 | Confident | 90 Ų | 90 | 72 Ų | 72 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | trans | -66 | 148.8 | 177.5 | -174 | 54.5 | 0 | 0 | 0 | 111.9 | T241 D242 R243 | D239-T241 VanDerWaalsContact C-N 3.26Å; D239-T241 PolarHBondContact O-N 3.22Å; D239-T241 VanDerWaalsContact OD2-CB 3.29Å; D239-T241 WeakPolarHBondContact OD2-CB 3.24Å; D239-T241 WeakPolarHBondContact OD2-CG2 3.2Å; D239-T241 PolarHBondContact OD2-N 2.76Å; D239-T241 PolarHBondContact OD2-OG1 2.64Å; D239-D242 PolarHBondContact O-N 2.86Å; D239-R243 WeakPolarHBondContact O-CG 3.25Å; D239-R243 PolarHBondContact O-N 3.45Å | ||
| 240 | L | 84.9 | Confident | 86.4 | Confident | 92 Ų | 92 | 71.3 Ų | 71.3 | 48% | 0.482 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.8 | -35.1 | -178.4 | -175 | 64.2 | 0 | 0 | 0 | 111.8 | D242 R243 V244 | L240-D242 VanDerWaalsContact C-N 3.27Å; L240-D242 PolarHBondContact O-N 3.39Å; L240-R243 PolarHBondContact O-N 3.24Å; L240-V244 HydrophobicContact CD1-CG2 4.37Å; L240-V244 HydrophobicContact CG-CG2 4.33Å; L240-V244 WeakPolarHBondContact O-CG2 3.14Å; L240-V244 PolarHBondContact O-N 3.04Å |
| 241 | T | 85.7 | Confident | 85.1 | Confident | 93 Ų | 93 | 73.1 Ų | 73.1 | 57% | 0.571 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64.6 | -33.9 | -179.4 | 64.9 | 0 | 0 | 0 | 0 | 112 | D239 | D239-T241 VanDerWaalsContact C-N 3.26Å; D239-T241 PolarHBondContact O-N 3.22Å; D239-T241 VanDerWaalsContact OD2-CB 3.29Å; D239-T241 WeakPolarHBondContact OD2-CB 3.24Å; D239-T241 WeakPolarHBondContact OD2-CG2 3.2Å; D239-T241 PolarHBondContact OD2-N 2.76Å; D239-T241 PolarHBondContact OD2-OG1 2.64Å |
| 242 | D | 84.7 | Confident | 83.1 | Confident | 82 Ų | 82 | 73.9 Ų | 73.9 | 44% | 0.439 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -72.4 | -39.4 | 175.2 | -72.7 | -34.3 | 0 | 0 | 0 | 111.9 | D239 L240 V244 K245 | D239-D242 PolarHBondContact O-N 2.86Å; L240-D242 VanDerWaalsContact C-N 3.27Å; L240-D242 PolarHBondContact O-N 3.39Å; D242-V244 PolarHBondContact O-N 3.29Å; D242-K245 WeakPolarHBondContact O-CB 3.47Å; D242-K245 PolarHBondContact O-N 3Å; D242-K245 IonicContact OD1-NZ 2.68Å; D242-K245 PolarHBondContact OD1-NZ 3.34Å |
| 243 | R | 85 | Confident | 81 | Confident | 19 Ų | 19 | 74.7 Ų | 74.7 | 7% | 0.072 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 176.9 | -66.3 | 175 | 62 | -179.1 | 1.8 | 111.6 | S88 C89 D230 D239 L240 K245 V246 | S88-R243 PolarHBondContact O-NH2 2.88Å; C89-R243 HydrophobicContact CB-CB 3.95Å; C89-R243 WeakPolarHBondContact CB-O 3.32Å; D230-R243 IonicContact OD2-CZ 2.72Å; D230-R243 IonicContact OD2-NH2 3.8Å; D230-R243 PolarHBondContact OD2-NH2 2.94Å; D239-R243 WeakPolarHBondContact O-CG 3.25Å; D239-R243 PolarHBondContact O-N 3.45Å; L240-R243 PolarHBondContact O-N 3.24Å; R243-K245 PolarHBondContact O-N 3.12Å; R243-V246 WeakPolarHBondContact O-CB 3.49Å; R243-V246 WeakPolarHBondContact O-CG2 3.2Å; R243-V246 PolarHBondContact O-N 3.48Å; R243-V246 VanDerWaalsContact O-N 3.17Å |
| 244 | V | 88.9 | Confident | 78.6 | Confident | 51 Ų | 51 | 72.8 Ų | 72.8 | 31% | 0.309 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.5 | -22.9 | -177.1 | 168.1 | 0 | 0 | 0 | 0 | 112.6 | L240 D242 V246 W247 | L240-V244 HydrophobicContact CD1-CG2 4.37Å; L240-V244 HydrophobicContact CG-CG2 4.33Å; L240-V244 WeakPolarHBondContact O-CG2 3.14Å; L240-V244 PolarHBondContact O-N 3.04Å; D242-V244 PolarHBondContact O-N 3.29Å; V244-V246 PolarHBondContact O-N 3.06Å; V244-V246 VanDerWaalsContact O-N 3.15Å; V244-W247 HydrophobicContact CB-CE3 4.48Å; V244-W247 HydrophobicContact CG1-CD2 4.25Å; V244-W247 HydrophobicContact CG1-CE3 3.63Å; V244-W247 HydrophobicContact CG1-CZ3 3.88Å; V244-W247 HydrophobicContact CG2-CE3 4.46Å; V244-W247 HydrophobicContact CG2-CH2 4.25Å; V244-W247 HydrophobicContact CG2-CZ3 4.19Å; V244-W247 WeakPolarHBondContact O-CB 3.44Å; V244-W247 PolarHBondContact O-N 3.48Å |
| 245 | K | 87.8 | Confident | 76.1 | Confident | 119 Ų | 119 | 73.2 Ų | 73.2 | 52% | 0.517 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -34.8 | 175.6 | -67 | 171.1 | -176.2 | 166.1 | 0 | 112 | D242 R243 W247 T248 S249 | D242-K245 WeakPolarHBondContact O-CB 3.47Å; D242-K245 PolarHBondContact O-N 3Å; D242-K245 IonicContact OD1-NZ 2.68Å; D242-K245 PolarHBondContact OD1-NZ 3.34Å; R243-K245 PolarHBondContact O-N 3.12Å; K245-W247 PolarHBondContact O-N 3.45Å; K245-W247 VanDerWaalsContact O-N 3.13Å; K245-T248 PolarHBondContact O-N 2.99Å; K245-T248 PolarHBondContact O-OG1 3.32Å; K245-S249 PolarHBondContact O-N 3.31Å; K245-S249 VanDerWaalsContact O-N 3.14Å; K245-S249 PolarHBondContact O-OG 3.03Å |
| 246 | V | 88 | Confident | 73.4 | Confident | 23 Ų | 23 | 75.9 Ų | 75.9 | 14% | 0.139 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -53.8 | -34.1 | 177.9 | 177.2 | 0 | 0 | 0 | 0 | 112.4 | C89 S92 R243 V244 T248 G250 Q251 | C89-V246 WeakPolarHBondContact O-CG1 3.34Å; S92-V246 WeakPolarHBondContact CA-O 3.23Å; R243-V246 WeakPolarHBondContact O-CB 3.49Å; R243-V246 WeakPolarHBondContact O-CG2 3.2Å; R243-V246 PolarHBondContact O-N 3.48Å; R243-V246 VanDerWaalsContact O-N 3.17Å; V244-V246 PolarHBondContact O-N 3.06Å; V244-V246 VanDerWaalsContact O-N 3.15Å; V246-T248 PolarHBondContact O-N 3.38Å; V246-T248 VanDerWaalsContact O-N 3.13Å; V246-G250 WeakPolarHBondContact O-CA 3.33Å; V246-G250 PolarHBondContact O-N 2.71Å; V246-Q251 HydrophobicContact CG1-CG 4.06Å |
| 247 | W | 89.4 | Confident | 71.4 | Confident | 80 Ų | 80 | 79.1 Ų | 79.1 | 30% | 0.303 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58.8 | -28.7 | 179.2 | -71.2 | -11.8 | 0 | 0 | 0 | 113.6 | L86 I93 V244 K245 | L86-W247 PolarHBondContact O-NE1 3.1Å; I93-W247 HydrophobicContact CD1-CB 3.79Å; I93-W247 HydrophobicContact CD1-CD2 4.31Å; I93-W247 HydrophobicContact CD1-CE3 4.38Å; I93-W247 HydrophobicContact CD1-CG 4.09Å; I93-W247 HydrophobicContact CG1-CB 3.87Å; I93-W247 HydrophobicContact CG1-CG 4.03Å; I93-W247 PolarHBondContact N-O 3.01Å; I93-W247 VanDerWaalsContact N-O 3.11Å; V244-W247 HydrophobicContact CB-CE3 4.48Å; V244-W247 HydrophobicContact CG1-CD2 4.25Å; V244-W247 HydrophobicContact CG1-CE3 3.63Å; V244-W247 HydrophobicContact CG1-CZ3 3.88Å; V244-W247 HydrophobicContact CG2-CE3 4.46Å; V244-W247 HydrophobicContact CG2-CH2 4.25Å; V244-W247 HydrophobicContact CG2-CZ3 4.19Å; V244-W247 WeakPolarHBondContact O-CB 3.44Å; V244-W247 PolarHBondContact O-N 3.48Å; K245-W247 PolarHBondContact O-N 3.45Å; K245-W247 VanDerWaalsContact O-N 3.13Å |
| 248 | T | 84.9 | Confident | 69.3 | Low | 92 Ų | 92 | 81.7 Ų | 81.7 | 56% | 0.564 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -104.2 | -36.9 | -176.5 | 64.2 | 0 | 0 | 0 | 0 | 113.7 | M1 K245 V246 | M1-T248 PolarHBondContact N-O 2.89Å; K245-T248 PolarHBondContact O-N 2.99Å; K245-T248 PolarHBondContact O-OG1 3.32Å; V246-T248 PolarHBondContact O-N 3.38Å; V246-T248 VanDerWaalsContact O-N 3.13Å |
| 249 | S | 74 | Confident | 67.2 | Low | 57 Ų | 57 | 81.2 Ų | 81.2 | 40% | 0.399 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -98 | -14.7 | -173.8 | 60.5 | 0 | 0 | 0 | 0 | 114.3 | K245 | K245-S249 PolarHBondContact O-N 3.31Å; K245-S249 VanDerWaalsContact O-N 3.14Å; K245-S249 PolarHBondContact O-OG 3.03Å |
| 250 | G | 71.9 | Confident | 64.7 | Low | 1 Ų | 1 | 84.7 Ų | 84.7 | 1% | 0.01 | 45% | 0.453 | C | S | . | . | trans | 73.8 | 173.5 | -163.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E4 V246 V252 | E4-G250 WeakPolarHBondContact OE1-CA 3.42Å; V246-G250 WeakPolarHBondContact O-CA 3.33Å; V246-G250 PolarHBondContact O-N 2.71Å; G250-V252 PolarHBondContact O-N 3.08Å | ||
| 251 | Q | 65.8 | Low | 62.6 | Low | 39 Ų | 39 | 86 Ų | 86 | 18% | 0.182 | 46% | 0.46 | C | S | . | . | trans | -66.7 | 127.7 | 169.3 | -78.6 | -169 | -15.3 | 0 | 0 | 108.8 | Q90 V246 E253 E254 | Q90-Q251 VanDerWaalsContact O-CG 3.27Å; Q90-Q251 WeakPolarHBondContact O-CG 3.34Å; Q90-Q251 PolarHBondContact O-NE2 3.24Å; V246-Q251 HydrophobicContact CG1-CG 4.06Å; Q251-E253 PolarHBondContact O-N 3.41Å; Q251-E254 HydrophobicContact CB-CB 4.2Å; Q251-E254 PolarHBondContact O-N 3.07Å | ||
| 252 | V | 49.8 | Very low | 60.2 | Low | 125 Ų | 125 | 90.5 Ų | 90.5 | 76% | 0.758 | 48% | 0.477 | S | S | * | . | G | 310 helix | trans | -61.2 | -31.2 | -175.9 | -179.6 | 0 | 0 | 0 | 0 | 111.5 | G250 | G250-V252 PolarHBondContact O-N 3.08Š|
| 253 | E | 51.3 | Low | 57.9 | Low | 139 Ų | 139 | 93.8 Ų | 93.8 | 65% | 0.65 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -82.9 | -14.5 | -178.7 | -66.8 | -178.6 | 164.3 | 0 | 0 | 115.1 | R161 Q251 Y255 | R161-E253 IonicContact CZ-OE2 3.58Å; R161-E253 IonicContact NH1-OE2 2.75Å; R161-E253 PolarHBondContact NH1-OE2 3.31Å; Q251-E253 PolarHBondContact O-N 3.41Å; E253-Y255 PolarHBondContact O-N 3.16Å; E253-Y255 VanDerWaalsContact O-N 3.1Å |
| 254 | E | 45.3 | Very low | 55.5 | Low | 72 Ų | 72 | 97.1 Ų | 97.1 | 34% | 0.336 | 52% | 0.521 | S | S | . | . | G | 310 helix | trans | -76.9 | 1.4 | -169.2 | -119.8 | -171.9 | 158 | 0 | 0 | 114.3 | K95 Q251 | K95-E254 IonicContact NZ-OE1 3.03Å; K95-E254 PolarHBondContact NZ-OE1 2.85Å; K95-E254 IonicContact NZ-OE2 2.79Å; K95-E254 PolarHBondContact NZ-OE2 3.29Å; Q251-E254 HydrophobicContact CB-CB 4.2Å; Q251-E254 PolarHBondContact O-N 3.07Å |
| 255 | Y | 39.5 | Very low | 53 | Low | 33 Ų | 33 | 105.8 Ų | 105.8 | 13% | 0.129 | 55% | 0.548 | C | S | . | . | G | 310 helix | trans | -126.5 | 1 | -172 | -64.5 | -73.4 | 0 | 0 | 0 | 115.9 | E4 K7 E253 L257 | E4-Y255 HydrophobicContact CG-CE2 4.44Å; E4-Y255 PolarHBondContact OE1-OH 3.39Å; K7-Y255 HydrophobicContact CB-CD1 4.47Å; K7-Y255 HydrophobicContact CB-CE1 4.27Å; K7-Y255 HydrophobicContact CD-CD1 3.21Å; K7-Y255 HydrophobicContact CD-CD2 4.32Å; K7-Y255 HydrophobicContact CD-CE1 3.41Å; K7-Y255 VanDerWaalsContact CD-CE1 3.41Å; K7-Y255 HydrophobicContact CD-CE2 4.47Å; K7-Y255 HydrophobicContact CD-CG 3.7Å; K7-Y255 HydrophobicContact CG-CD1 4.44Å; K7-Y255 HydrophobicContact CG-CE1 4.45Å; E253-Y255 PolarHBondContact O-N 3.16Å; E253-Y255 VanDerWaalsContact O-N 3.1Å; Y255-L257 VanDerWaalsContact C-N 3.26Å; Y255-L257 PolarHBondContact O-N 2.95Å |
| 256 | D | 33.3 | Very low | 50.8 | Low | 130 Ų | 130 | 106.6 Ų | 106.6 | 70% | 0.695 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | 51.3 | 177.1 | -72.1 | -17.8 | 0 | 0 | 0 | 112.1 | E258 | D256-E258 VanDerWaalsContact C-N 3.33Š|
| 257 | L | 41.8 | Very low | 48.5 | Very low | 132 Ų | 132 | 113.9 Ų | 113.9 | 69% | 0.691 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -3.8 | 164 | -74.1 | 170.8 | 0 | 0 | 0 | 112.4 | M9 Y255 | M9-L257 HydrophobicContact CE-CD1 3.66Å; Y255-L257 VanDerWaalsContact C-N 3.26Å; Y255-L257 PolarHBondContact O-N 2.95Å |
| 258 | E | 35 | Very low | 46 | Very low | 186 Ų | 186 | 118.4 Ų | 118.4 | 87% | 0.869 | 62% | 0.622 | S | S | * | * | trans | -108.2 | 33.5 | 166.8 | -68.5 | -176.5 | 176.2 | 0 | 0 | 110.5 | D256 D260 | D256-E258 VanDerWaalsContact C-N 3.33Å; E258-D260 PolarHBondContact O-N 3.09Å | ||
| 259 | G | 37.2 | Very low | 43.4 | Very low | 50 Ų | 50 | 123.4 Ų | 123.4 | 52% | 0.515 | 64% | 0.636 | S | S | . | * | trans | -59.1 | 123.2 | 152.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | D261 | G259-D261 PolarHBondContact O-N 3.24Š| ||
| 260 | D | 34.9 | Very low | 42.1 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 88% | 0.877 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -66.7 | 50.6 | -173.1 | -144.6 | 7 | 0 | 0 | 0 | 112.6 | E258 | E258-D260 PolarHBondContact O-N 3.09Š|
| 261 | D | 41.2 | Very low | 40.9 | Very low | 119 Ų | 119 | 140 Ų | 140 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | trans | -113 | 64.1 | -174.5 | -129.5 | 2.7 | 0 | 0 | 0 | 109.7 | G259 N263 S264 | G259-D261 PolarHBondContact O-N 3.24Å; D261-N263 PolarHBondContact O-N 3.23Å; D261-S264 PolarHBondContact O-N 3.44Å | ||
| 262 | M | 34.9 | Very low | 39.7 | Very low | 187 Ų | 187 | 145.1 Ų | 145.1 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | 15.6 | 170.8 | -102.8 | -106.6 | -74.6 | 0 | 0 | 114.2 | ||
| 263 | N | 34.8 | Very low | 39.1 | Very low | 152 Ų | 152 | 146.1 Ų | 146.1 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133 | 5.4 | -177.1 | -107.2 | -3.9 | 0 | 0 | 0 | 116.5 | D261 R265 | D261-N263 PolarHBondContact O-N 3.23Å; N263-R265 VanDerWaalsContact C-N 3.3Å; N263-R265 PolarHBondContact O-N 3.24Å |
| 264 | S | 36.4 | Very low | 38.5 | Very low | 88 Ų | 88 | 146.5 Ų | 146.5 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | trans | -93.1 | 52.1 | 174.2 | 61.8 | 0 | 0 | 0 | 0 | 112.8 | D261 V266 | D261-S264 PolarHBondContact O-N 3.44Å; S264-V266 PolarHBondContact O-N 3.1Å | ||
| 265 | R | 36.3 | Very low | 38.1 | Very low | 234 Ų | 234 | 150.9 Ų | 150.9 | 88% | 0.883 | 77% | 0.767 | S | S | * | * | trans | -70 | 110 | 155.9 | -81.7 | -175.6 | 177 | 179.6 | 0.3 | 106.9 | N263 E267 | N263-R265 VanDerWaalsContact C-N 3.3Å; N263-R265 PolarHBondContact O-N 3.24Å; R265-E267 VanDerWaalsContact C-N 3.26Å; R265-E267 PolarHBondContact O-N 3.44Å | ||
| 266 | V | 41.3 | Very low | 38 | Very low | 136 Ų | 136 | 158.3 Ų | 158.3 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -60.4 | 92.5 | 167.9 | 179.3 | 0 | 0 | 0 | 0 | 107.8 | S264 M268 | S264-V266 PolarHBondContact O-N 3.1Å; V266-M268 PolarHBondContact O-N 2.91Å | ||
| 267 | E | 40.1 | Very low | 38.3 | Very low | 175 Ų | 175 | 160.1 Ų | 160.1 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -64.4 | 114.2 | 164.2 | -77.3 | -173.3 | 157.3 | 0 | 0 | 107.8 | R265 K269 | R265-E267 VanDerWaalsContact C-N 3.26Å; R265-E267 PolarHBondContact O-N 3.44Å; E267-K269 PolarHBondContact O-N 2.87Å; E267-K269 VanDerWaalsContact O-N 3.12Å | ||
| 268 | M | 35.7 | Very low | 38 | Very low | 176 Ų | 176 | 162.1 Ų | 162.1 | 87% | 0.867 | 82% | 0.823 | S | S | * | * | trans | -64.3 | 111.8 | 165.6 | -68.1 | -171.1 | -152.2 | 0 | 0 | 107.7 | V266 P270 | V266-M268 PolarHBondContact O-N 2.91Å; M268-P270 VanDerWaalsContact O-CD 3.32Å; M268-P270 WeakPolarHBondContact O-CD 3.32Å | ||
| 269 | K | 31.8 | Very low | 38.3 | Very low | 197 Ų | 197 | 160.3 Ų | 160.3 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | trans | -64.7 | 121 | 167.7 | -75 | -174.8 | 176.8 | -179 | 0 | 108.7 | E267 | E267-K269 PolarHBondContact O-N 2.87Å; E267-K269 VanDerWaalsContact O-N 3.12Å | ||
| 270 | P | 45.8 | Very low | 38.4 | Very low | 123 Ų | 123 | 169.5 Ų | 169.5 | 80% | 0.799 | 85% | 0.845 | S | S | * | * | trans | -66.9 | 142.1 | 167.7 | 27.7 | -29.9 | 0 | 0 | 0 | 109 | M268 | M268-P270 VanDerWaalsContact O-CD 3.32Å; M268-P270 WeakPolarHBondContact O-CD 3.32Å | ||
| 271 | K | 47.3 | Very low | 38.7 | Very low | 283 Ų | 283 | 170 Ų | 170 | 100% | 1.23 | 84% | 0.842 | S | S | * | * | trans | -59.6 | 0 | 175.6 | -73.8 | -177.1 | 176.3 | 179.7 | 0 | 111.8 |
Retrieved 271 of 271 residues in 191.4 ms
(Link to these results)