| 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 | 41.9 | Very low | 75.6 | Confident | 245 Ų | 245 | 91 Ų | 91 | 100% | 1.207 | 48% | 0.482 | S | S | * | . | 0 | 119.2 | 0 | -80.5 | -179.9 | -96.3 | 0 | 0 | 106 | S3 | M1-S3 PolarHBondContact O-N 3.17Š| |||
| 2 | A | 51.8 | Low | 76.6 | Confident | 49 Ų | 49 | 83.4 Ų | 83.4 | 41% | 0.405 | 44% | 0.442 | S | S | . | . | trans | -59.3 | 135.1 | 175 | 0 | 0 | 0 | 0 | 0 | 108.5 | E6 Q7 | A2-E6 WeakPolarHBondContact CA-OE2 3.28Å; A2-E6 HydrophobicContact CB-CB 4.27Å; A2-E6 WeakPolarHBondContact CB-OE2 3.46Å; A2-Q7 HydrophobicContact CB-CG 4.2Å | ||
| 3 | S | 67.8 | Low | 77.3 | Confident | 48 Ų | 48 | 79.2 Ų | 79.2 | 34% | 0.336 | 43% | 0.431 | S | S | . | . | trans | -61.3 | 156.9 | 177.7 | 70 | 0 | 0 | 0 | 0 | 110.1 | M1 F5 E6 Q7 E40 | M1-S3 PolarHBondContact O-N 3.17Å; S3-F5 PolarHBondContact O-N 2.73Å; S3-E6 PolarHBondContact O-N 3.04Å; S3-E6 PolarHBondContact OG-N 3.4Å; S3-Q7 PolarHBondContact O-N 2.73Å; S3-E40 WeakPolarHBondContact CB-OE2 3.42Å; S3-E40 PolarHBondContact OG-OE2 3.15Å | ||
| 4 | T | 78.3 | Confident | 77.9 | Confident | 77 Ų | 77 | 84.4 Ų | 84.4 | 47% | 0.472 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -54.8 | -37 | 178 | -40.2 | 0 | 0 | 0 | 0 | 110.3 | Q7 M8 E40 | T4-Q7 PolarHBondContact O-N 3.01Å; T4-M8 HydrophobicContact CG2-SD 4.42Å; T4-M8 WeakPolarHBondContact O-CG 3.35Å; T4-M8 PolarHBondContact O-N 3.46Å; T4-M8 VanDerWaalsContact O-N 3.14Å; T4-E40 VanDerWaalsContact CB-OE1 3.26Å; T4-E40 WeakPolarHBondContact CB-OE1 3.36Å; T4-E40 PolarHBondContact OG1-OE1 2.62Å |
| 5 | F | 81.5 | Confident | 78.3 | Confident | 17 Ų | 17 | 80.5 Ų | 80.5 | 8% | 0.075 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.1 | -46.9 | 174.6 | -177.9 | -100.7 | 0 | 0 | 0 | 113.9 | S3 Q7 M8 R9 Y33 T36 Q37 E40 A42 | S3-F5 PolarHBondContact O-N 2.73Å; F5-Q7 VanDerWaalsContact C-N 3.31Å; F5-Q7 PolarHBondContact O-N 3.33Å; F5-M8 PolarHBondContact O-N 3.37Å; F5-R9 VanDerWaalsContact O-CB 3.3Å; F5-R9 WeakPolarHBondContact O-CB 3.41Å; F5-R9 PolarHBondContact O-N 3.45Å; F5-Y33 HydrophobicContact CD2-CD2 4.22Å; F5-Y33 AromaticContact CD2-CE2 3.52Å; F5-Y33 HydrophobicContact CD2-CE2 3.52Å; F5-Y33 HydrophobicContact CE2-CD2 4.18Å; F5-Y33 HydrophobicContact CE2-CE1 4.3Å; F5-Y33 AromaticContact CE2-CE2 3.27Å; F5-Y33 HydrophobicContact CE2-CE2 3.27Å; F5-Y33 AromaticContact CE2-CZ 3.36Å; F5-Y33 VanDerWaalsContact CE2-OH 3.29Å; F5-Y33 WeakPolarHBondContact CE2-OH 3.39Å; F5-Y33 HydrophobicContact CG-CE2 4.43Å; F5-Y33 HydrophobicContact CZ-CE2 4.04Å; F5-Y33 AromaticContact CZ-CZ 3.79Å; F5-Y33 WeakPolarHBondContact CZ-OH 3.41Å; F5-T36 HydrophobicContact CB-CG2 4.02Å; F5-T36 HydrophobicContact CD2-CG2 4.25Å; F5-Q37 HydrophobicContact CD2-CG 4.28Å; F5-Q37 HydrophobicContact CE2-CG 3.57Å; F5-Q37 HydrophobicContact CZ-CG 4.46Å; F5-E40 WeakPolarHBondContact CB-OE2 3.33Å; F5-E40 PolarHBondContact N-OE2 3.44Å; F5-A42 HydrophobicContact CD1-CB 3.64Å; F5-A42 HydrophobicContact CD2-CB 3.52Å; F5-A42 HydrophobicContact CE1-CB 3.56Å; F5-A42 HydrophobicContact CE2-CB 3.45Å; F5-A42 VanDerWaalsContact CE2-CB 3.45Å; F5-A42 HydrophobicContact CG-CB 3.62Å; F5-A42 HydrophobicContact CZ-CB 3.46Å; F5-A42 VanDerWaalsContact CZ-CB 3.46Å |
| 6 | E | 82.4 | Confident | 78.6 | Confident | 117 Ų | 117 | 76.2 Ų | 76.2 | 55% | 0.547 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63 | -37.8 | -178 | -76.3 | -177.4 | 159.5 | 0 | 0 | 112.7 | A2 S3 A10 | A2-E6 WeakPolarHBondContact CA-OE2 3.28Å; A2-E6 HydrophobicContact CB-CB 4.27Å; A2-E6 WeakPolarHBondContact CB-OE2 3.46Å; S3-E6 PolarHBondContact O-N 3.04Å; S3-E6 PolarHBondContact OG-N 3.4Å; E6-A10 PolarHBondContact O-N 3.21Å |
| 7 | Q | 81.9 | Confident | 78.7 | Confident | 131 Ų | 131 | 83.5 Ų | 83.5 | 61% | 0.612 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -67.7 | -43.7 | 176.7 | -62.4 | -179 | 15.3 | 0 | 0 | 111.3 | A2 S3 T4 F5 | A2-Q7 HydrophobicContact CB-CG 4.2Å; S3-Q7 PolarHBondContact O-N 2.73Å; T4-Q7 PolarHBondContact O-N 3.01Å; F5-Q7 VanDerWaalsContact C-N 3.31Å; F5-Q7 PolarHBondContact O-N 3.33Å |
| 8 | M | 85.8 | Confident | 78.5 | Confident | 29 Ų | 29 | 81.9 Ų | 81.9 | 14% | 0.143 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -66.4 | -38.4 | 176.6 | -69.1 | -174.8 | 75.6 | 0 | 0 | 111.8 | T4 F5 A10 N11 V12 R32 Y33 | T4-M8 HydrophobicContact CG2-SD 4.42Å; T4-M8 WeakPolarHBondContact O-CG 3.35Å; T4-M8 PolarHBondContact O-N 3.46Å; T4-M8 VanDerWaalsContact O-N 3.14Å; F5-M8 PolarHBondContact O-N 3.37Å; M8-A10 VanDerWaalsContact C-N 3.33Å; M8-A10 PolarHBondContact O-N 2.93Å; M8-N11 WeakPolarHBondContact O-CB 3.36Å; M8-N11 PolarHBondContact O-N 3.17Å; M8-V12 WeakPolarHBondContact O-CB 3.46Å; M8-V12 WeakPolarHBondContact O-CG2 3.48Å; M8-V12 PolarHBondContact O-N 3.47Å; M8-R32 HydrophobicContact CE-CB 4.2Å; M8-R32 HydrophobicContact CE-CG 4.03Å; M8-Y33 HydrophobicContact CB-CD2 3.59Å; M8-Y33 HydrophobicContact CB-CE2 3.9Å; M8-Y33 HydrophobicContact CE-CD2 4.31Å; M8-Y33 HydrophobicContact SD-CD2 4.48Å |
| 9 | R | 87.8 | Confident | 78.4 | Confident | 140 Ų | 140 | 85.1 Ų | 85.1 | 53% | 0.528 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.6 | -42 | 178.8 | -175 | 173.3 | -171.5 | -169.4 | 3.2 | 112.5 | F5 N11 G13 Y33 | F5-R9 VanDerWaalsContact O-CB 3.3Å; F5-R9 WeakPolarHBondContact O-CB 3.41Å; F5-R9 PolarHBondContact O-N 3.45Å; R9-N11 VanDerWaalsContact C-N 3.3Å; R9-N11 PolarHBondContact O-N 3.02Å; R9-G13 PolarHBondContact O-N 3.49Å; R9-Y33 HydrophobicContact CB-CE2 4.22Å; R9-Y33 WeakPolarHBondContact CB-OH 3.45Å; R9-Y33 WeakPolarHBondContact CG-OH 3.43Å |
| 10 | A | 85.6 | Confident | 78.5 | Confident | 65 Ų | 65 | 84.9 Ų | 84.9 | 54% | 0.537 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.5 | -34.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E6 M8 K14 | E6-A10 PolarHBondContact O-N 3.21Å; M8-A10 VanDerWaalsContact C-N 3.33Å; M8-A10 PolarHBondContact O-N 2.93Å; A10-K14 WeakPolarHBondContact O-CG 3.47Å; A10-K14 PolarHBondContact O-N 3.22Å |
| 11 | N | 86.3 | Confident | 78.5 | Confident | 83 Ų | 83 | 84 Ų | 84 | 44% | 0.444 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -73.3 | -48.7 | 176.4 | -169.6 | 34.4 | 0 | 0 | 0 | 111.5 | M8 R9 G13 K14 L15 | M8-N11 WeakPolarHBondContact O-CB 3.36Å; M8-N11 PolarHBondContact O-N 3.17Å; R9-N11 VanDerWaalsContact C-N 3.3Å; R9-N11 PolarHBondContact O-N 3.02Å; N11-G13 VanDerWaalsContact C-N 3.31Å; N11-G13 PolarHBondContact O-N 3.37Å; N11-K14 WeakPolarHBondContact O-CB 3.34Å; N11-K14 PolarHBondContact O-N 3.06Å; N11-L15 PolarHBondContact O-N 3.19Å |
| 12 | V | 87.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | M8 K14 L15 L16 L30 Y33 A47 | M8-V12 WeakPolarHBondContact O-CB 3.46Å; M8-V12 WeakPolarHBondContact O-CG2 3.48Å; M8-V12 PolarHBondContact O-N 3.47Å; V12-K14 PolarHBondContact O-N 2.89Å; V12-K14 VanDerWaalsContact O-N 3.14Å; V12-L15 WeakPolarHBondContact O-CB 3.38Å; V12-L15 PolarHBondContact O-N 3.38Å; V12-L16 HydrophobicContact CG1-CD1 3.65Å; V12-L16 HydrophobicContact CG1-CG 4Å; V12-L16 VanDerWaalsContact O-CG 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.47Å; V12-L16 PolarHBondContact O-N 3.12Å; V12-L30 HydrophobicContact CG1-CD2 3.79Å; V12-L30 HydrophobicContact CG2-CD2 4.24Å; V12-Y33 HydrophobicContact CB-CD1 4.38Å; V12-Y33 HydrophobicContact CB-CE1 4.29Å; V12-Y33 HydrophobicContact CG1-CD1 4.06Å; V12-Y33 HydrophobicContact CG1-CE1 3.97Å; V12-Y33 HydrophobicContact CG2-CD1 3.93Å; V12-Y33 HydrophobicContact CG2-CD2 4.2Å; V12-Y33 HydrophobicContact CG2-CE1 4.29Å; V12-Y33 HydrophobicContact CG2-CG 3.86Å; V12-A47 HydrophobicContact CG1-CB 3.83Å |
| 13 | G | 86.4 | Confident | 82 | Confident | 29 Ų | 29 | 76 Ų | 76 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.7 | -20 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R9 N11 R17 | R9-G13 PolarHBondContact O-N 3.49Å; N11-G13 VanDerWaalsContact C-N 3.31Å; N11-G13 PolarHBondContact O-N 3.37Å; G13-R17 VanDerWaalsContact O-CD 3.3Å; G13-R17 WeakPolarHBondContact O-CD 3.34Å; G13-R17 VanDerWaalsContact O-CG 3.24Å; G13-R17 WeakPolarHBondContact O-CG 3.24Å; G13-R17 PolarHBondContact O-NE 3.49Å |
| 14 | K | 85.2 | Confident | 82.8 | Confident | 151 Ų | 151 | 75.6 Ų | 75.6 | 66% | 0.657 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -84.3 | -41.8 | 169.4 | -69.9 | 175.9 | -177.1 | 178.5 | 0 | 111.5 | A10 N11 V12 L16 R17 | A10-K14 WeakPolarHBondContact O-CG 3.47Å; A10-K14 PolarHBondContact O-N 3.22Å; N11-K14 WeakPolarHBondContact O-CB 3.34Å; N11-K14 PolarHBondContact O-N 3.06Å; V12-K14 PolarHBondContact O-N 2.89Å; V12-K14 VanDerWaalsContact O-N 3.14Å; K14-L16 VanDerWaalsContact C-N 3.29Å; K14-L16 PolarHBondContact O-N 2.77Å; K14-R17 WeakPolarHBondContact O-CB 3.32Å; K14-R17 PolarHBondContact O-N 2.78Å; K14-R17 VanDerWaalsContact O-N 3.08Å |
| 15 | L | 84.2 | Confident | 83.3 | Confident | 27 Ų | 27 | 79.2 Ų | 79.2 | 14% | 0.141 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.3 | -37.1 | 178 | -74 | 156.8 | 0 | 0 | 0 | 112.5 | N11 V12 R17 D20 R21 N26 T29 | N11-L15 PolarHBondContact O-N 3.19Å; V12-L15 WeakPolarHBondContact O-CB 3.38Å; V12-L15 PolarHBondContact O-N 3.38Å; L15-R17 PolarHBondContact O-N 3.12Å; L15-D20 CarbonylContact O-C 3.56Å; L15-R21 PolarHBondContact O-N 3.07Å; L15-N26 HydrophobicContact CD2-CB 4.38Å; L15-N26 WeakPolarHBondContact CD2-OD1 3.41Å; L15-T29 HydrophobicContact CD1-CG2 4.27Å |
| 16 | L | 83.3 | Confident | 83.6 | Confident | 11 Ų | 11 | 79.7 Ų | 79.7 | 6% | 0.058 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -13.2 | 177.7 | -64.1 | 175.5 | 0 | 0 | 0 | 112.8 | V12 K14 E46 A47 A50 | V12-L16 HydrophobicContact CG1-CD1 3.65Å; V12-L16 HydrophobicContact CG1-CG 4Å; V12-L16 VanDerWaalsContact O-CG 3.29Å; V12-L16 WeakPolarHBondContact O-CG 3.47Å; V12-L16 PolarHBondContact O-N 3.12Å; K14-L16 VanDerWaalsContact C-N 3.29Å; K14-L16 PolarHBondContact O-N 2.77Å; L16-E46 HydrophobicContact CD1-CB 4.34Å; L16-E46 HydrophobicContact CD1-CG 4.07Å; L16-A47 HydrophobicContact CD1-CB 4.07Å; L16-A50 HydrophobicContact CD2-CB 3.47Å; L16-A50 VanDerWaalsContact CD2-CB 3.47Å |
| 17 | R | 79.9 | Confident | 83.9 | Confident | 201 Ų | 201 | 74.3 Ų | 74.3 | 76% | 0.758 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -87.9 | 112.4 | 176.4 | -70.7 | 173.6 | -174.7 | -159.5 | -0.3 | 110.2 | G13 K14 L15 | G13-R17 VanDerWaalsContact O-CD 3.3Å; G13-R17 WeakPolarHBondContact O-CD 3.34Å; G13-R17 VanDerWaalsContact O-CG 3.24Å; G13-R17 WeakPolarHBondContact O-CG 3.24Å; G13-R17 PolarHBondContact O-NE 3.49Å; K14-R17 WeakPolarHBondContact O-CB 3.32Å; K14-R17 PolarHBondContact O-N 2.78Å; K14-R17 VanDerWaalsContact O-N 3.08Å; L15-R17 PolarHBondContact O-N 3.12Å |
| 18 | G | 75.5 | Confident | 84.4 | Confident | 54 Ų | 54 | 73 Ų | 73 | 56% | 0.557 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 98.4 | -147.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | R21 | G18-R21 WeakPolarHBondContact O-CD 3.4Å; G18-R21 VanDerWaalsContact O-CG 3.31Å; G18-R21 WeakPolarHBondContact O-CG 3.38Å |
| 19 | I | 77.4 | Confident | 84.6 | Confident | 142 Ų | 142 | 74.1 Ų | 74.1 | 73% | 0.728 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -80.9 | -22.6 | -171.9 | 58.1 | 172 | 0 | 0 | 0 | 113.5 | R21 Y22 | I19-R21 PolarHBondContact O-N 3Å; I19-R21 VanDerWaalsContact O-N 3.11Å; I19-Y22 PolarHBondContact O-N 2.84Å; I19-Y22 VanDerWaalsContact O-N 3.13Å |
| 20 | D | 78.8 | Confident | 84.9 | Confident | 81 Ų | 81 | 67.6 Ų | 67.6 | 43% | 0.433 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -64.9 | -18.4 | -176.4 | -67.4 | -36.7 | 0 | 0 | 0 | 113.1 | L15 Y22 N23 N26 | L15-D20 CarbonylContact O-C 3.56Å; D20-Y22 PolarHBondContact O-N 2.72Å; D20-Y22 VanDerWaalsContact O-N 3.09Å; D20-N23 PolarHBondContact O-N 3.46Å; D20-N23 VanDerWaalsContact O-N 3.08Å; D20-N26 PolarHBondContact O-ND2 2.92Å |
| 21 | R | 79.9 | Confident | 85.3 | Confident | 68 Ų | 68 | 65.9 Ų | 65.9 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -60.1 | -17.4 | 173.8 | 75.6 | -179 | -64.1 | -176.1 | 6.2 | 114.1 | L15 G18 I19 | L15-R21 PolarHBondContact O-N 3.07Å; G18-R21 WeakPolarHBondContact O-CD 3.4Å; G18-R21 VanDerWaalsContact O-CG 3.31Å; G18-R21 WeakPolarHBondContact O-CG 3.38Å; I19-R21 PolarHBondContact O-N 3Å; I19-R21 VanDerWaalsContact O-N 3.11Å |
| 22 | Y | 80.1 | Confident | 85.6 | Confident | 78 Ų | 78 | 69.5 Ų | 69.5 | 31% | 0.306 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -106.4 | -0.7 | 179.9 | -56.5 | -62.7 | 0 | 0 | 0 | 113.1 | I19 D20 P24 K53 L54 F57 | I19-Y22 PolarHBondContact O-N 2.84Å; I19-Y22 VanDerWaalsContact O-N 3.13Å; D20-Y22 PolarHBondContact O-N 2.72Å; D20-Y22 VanDerWaalsContact O-N 3.09Å; Y22-P24 WeakPolarHBondContact O-CD 3.41Å; Y22-K53 HydrophobicContact CE1-CD 4.22Å; Y22-L54 WeakPolarHBondContact O-CD2 3.47Å; Y22-F57 HydrophobicContact CD1-CD2 4.21Å; Y22-F57 AromaticContact CD1-CE2 3.73Å; Y22-F57 HydrophobicContact CD1-CE2 3.73Å; Y22-F57 AromaticContact CE1-CE2 3.88Å; Y22-F57 HydrophobicContact CE1-CE2 3.88Å |
| 23 | N | 85.8 | Confident | 85.9 | Confident | 48 Ų | 48 | 69.5 Ų | 69.5 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | trans | -78.5 | 117.1 | 178 | -175.8 | -2.7 | 0 | 0 | 0 | 109.9 | D20 E25 N26 | D20-N23 PolarHBondContact O-N 3.46Å; D20-N23 VanDerWaalsContact O-N 3.08Å; N23-E25 PolarHBondContact ND2-OE2 3.2Å; N23-E25 PolarHBondContact O-N 3.48Å; N23-E25 WeakPolarHBondContact OD1-CB 3.18Å; N23-E25 WeakPolarHBondContact OD1-CG 3.42Å; N23-E25 PolarHBondContact OD1-N 3.16Å; N23-N26 WeakPolarHBondContact O-CB 3.45Å; N23-N26 PolarHBondContact O-N 2.92Å; N23-N26 VanDerWaalsContact O-N 3.1Å | ||
| 24 | P | 85.8 | Confident | 86.3 | Confident | 38 Ų | 38 | 68.2 Ų | 68.2 | 25% | 0.247 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -63.4 | -18.1 | 178 | 27.4 | -35.9 | 0 | 0 | 0 | 113.4 | Y22 N26 L27 Y61 | Y22-P24 WeakPolarHBondContact O-CD 3.41Å; P24-N26 PolarHBondContact O-N 2.92Å; P24-L27 WeakPolarHBondContact O-CB 3.13Å; P24-L27 PolarHBondContact O-N 2.75Å; P24-L27 VanDerWaalsContact O-N 3.1Å; P24-Y61 HydrophobicContact CB-CE2 4.2Å |
| 25 | E | 87.6 | Confident | 86.7 | Confident | 153 Ų | 153 | 64.5 Ų | 64.5 | 72% | 0.715 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -63.3 | -25.3 | 173.8 | -63.9 | 179.2 | 150.5 | 0 | 0 | 112.6 | N23 L27 | N23-E25 PolarHBondContact ND2-OE2 3.2Å; N23-E25 PolarHBondContact O-N 3.48Å; N23-E25 WeakPolarHBondContact OD1-CB 3.18Å; N23-E25 WeakPolarHBondContact OD1-CG 3.42Å; N23-E25 PolarHBondContact OD1-N 3.16Å; E25-L27 PolarHBondContact O-N 3.2Å |
| 26 | N | 88.2 | Confident | 87.1 | Confident | 28 Ų | 28 | 64 Ų | 64 | 15% | 0.15 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -78.5 | -11.8 | 178.3 | -67.6 | -34.2 | 0 | 0 | 0 | 112.9 | L15 D20 N23 P24 T28 T29 L30 | L15-N26 HydrophobicContact CD2-CB 4.38Å; L15-N26 WeakPolarHBondContact CD2-OD1 3.41Å; D20-N26 PolarHBondContact O-ND2 2.92Å; N23-N26 WeakPolarHBondContact O-CB 3.45Å; N23-N26 PolarHBondContact O-N 2.92Å; N23-N26 VanDerWaalsContact O-N 3.1Å; P24-N26 PolarHBondContact O-N 2.92Å; N26-T28 VanDerWaalsContact C-N 3.35Å; N26-T28 PolarHBondContact O-N 2.86Å; N26-T29 WeakPolarHBondContact O-CB 3.38Å; N26-T29 PolarHBondContact O-N 3.2Å; N26-L30 WeakPolarHBondContact O-CG 3.26Å; N26-L30 PolarHBondContact O-N 3.16Å |
| 27 | L | 89.9 | Confident | 87.5 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.9 | -44.5 | -173 | -156.3 | 157.1 | 0 | 0 | 0 | 110.9 | P24 E25 T29 L30 E31 L54 Y55 Y61 | P24-L27 WeakPolarHBondContact O-CB 3.13Å; P24-L27 PolarHBondContact O-N 2.75Å; P24-L27 VanDerWaalsContact O-N 3.1Å; E25-L27 PolarHBondContact O-N 3.2Å; L27-T29 PolarHBondContact O-N 3.17Å; L27-L30 PolarHBondContact O-N 3.02Å; L27-E31 HydrophobicContact CD2-CG 3.49Å; L27-E31 VanDerWaalsContact CD2-CG 3.49Å; L27-E31 WeakPolarHBondContact CD2-OE1 3.47Å; L27-E31 VanDerWaalsContact O-CG 3.31Å; L27-E31 WeakPolarHBondContact O-CG 3.07Å; L27-E31 PolarHBondContact O-N 3.31Å; L27-L54 HydrophobicContact CB-CD1 4.48Å; L27-L54 HydrophobicContact CD1-CB 3.96Å; L27-L54 HydrophobicContact CG-CD1 4.42Å; L27-Y55 HydrophobicContact CD1-CD1 3.9Å; L27-Y55 HydrophobicContact CD1-CE1 3.75Å; L27-Y55 HydrophobicContact CD2-CD1 4.48Å; L27-Y55 HydrophobicContact CD2-CE1 3.52Å; L27-Y55 HydrophobicContact CG-CE1 4.06Å; L27-Y61 HydrophobicContact CD1-CG 4.35Å |
| 28 | T | 91.1 | Very high | 88.1 | Confident | 103 Ų | 103 | 54 Ų | 54 | 63% | 0.632 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -57.7 | -35.8 | 176.5 | -50.8 | 0 | 0 | 0 | 0 | 113.1 | N26 R32 | N26-T28 VanDerWaalsContact C-N 3.35Å; N26-T28 PolarHBondContact O-N 2.86Å; T28-R32 PolarHBondContact O-N 3.38Å |
| 29 | T | 91.4 | Very high | 88.8 | Confident | 52 Ų | 52 | 59.4 Ų | 59.4 | 32% | 0.319 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -72.5 | -40.4 | 177.3 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | L15 N26 L27 Y33 | L15-T29 HydrophobicContact CD1-CG2 4.27Å; N26-T29 WeakPolarHBondContact O-CB 3.38Å; N26-T29 PolarHBondContact O-N 3.2Å; L27-T29 PolarHBondContact O-N 3.17Å; T29-Y33 PolarHBondContact O-N 2.98Å; T29-Y33 VanDerWaalsContact O-N 3.09Å |
| 30 | L | 92.4 | Very high | 89.5 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.7 | -40.4 | 179.2 | -65.2 | 171.3 | 0 | 0 | 0 | 112.1 | V12 N26 L27 R32 Y33 V34 V51 L54 | V12-L30 HydrophobicContact CG1-CD2 3.79Å; V12-L30 HydrophobicContact CG2-CD2 4.24Å; N26-L30 WeakPolarHBondContact O-CG 3.26Å; N26-L30 PolarHBondContact O-N 3.16Å; L27-L30 PolarHBondContact O-N 3.02Å; L30-R32 PolarHBondContact O-N 3.08Å; L30-Y33 CarbonylContact O-C 3.15Å; L30-Y33 WeakPolarHBondContact O-CA 3.29Å; L30-Y33 VanDerWaalsContact O-CB 3.3Å; L30-Y33 WeakPolarHBondContact O-CB 3.44Å; L30-Y33 PolarHBondContact O-N 3.38Å; L30-V34 WeakPolarHBondContact O-CG2 3.47Å; L30-V34 PolarHBondContact O-N 3.35Å; L30-V51 HydrophobicContact CB-CG2 3.45Å; L30-V51 VanDerWaalsContact CB-CG2 3.45Å; L30-V51 HydrophobicContact CD1-CG2 4.18Å; L30-V51 HydrophobicContact CG-CG2 4.36Å; L30-L54 HydrophobicContact CD1-CD1 3.72Å |
| 31 | E | 94.1 | Very high | 90 | Very high | 30 Ų | 30 | 55.6 Ų | 55.6 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.3 | -47 | 174.6 | -70.4 | -179.6 | 151.4 | 0 | 0 | 111.5 | L27 Y33 V34 E35 Y55 Q63 V66 | L27-E31 HydrophobicContact CD2-CG 3.49Å; L27-E31 VanDerWaalsContact CD2-CG 3.49Å; L27-E31 WeakPolarHBondContact CD2-OE1 3.47Å; L27-E31 VanDerWaalsContact O-CG 3.31Å; L27-E31 WeakPolarHBondContact O-CG 3.07Å; L27-E31 PolarHBondContact O-N 3.31Å; E31-Y33 PolarHBondContact O-N 3.26Å; E31-V34 WeakPolarHBondContact O-CB 3.42Å; E31-V34 PolarHBondContact O-N 2.86Å; E31-E35 PolarHBondContact O-N 2.9Å; E31-Y55 WeakPolarHBondContact CG-OH 3.5Å; E31-Y55 PolarHBondContact OE1-OH 2.88Å; E31-Q63 WeakPolarHBondContact OE1-CG 3.48Å; E31-V66 HydrophobicContact CB-CG1 4.49Å; E31-V66 HydrophobicContact CB-CG2 4.08Å; E31-V66 HydrophobicContact CG-CG1 4.14Å; E31-V66 HydrophobicContact CG-CG2 3.89Å |
| 32 | R | 93.4 | Very high | 90.5 | Very high | 158 Ų | 158 | 53.1 Ų | 53.1 | 60% | 0.596 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.3 | -33 | 174.9 | -172.1 | 179 | 176.6 | -178.8 | -0.4 | 112.1 | M8 T28 L30 E35 T36 | M8-R32 HydrophobicContact CE-CB 4.2Å; M8-R32 HydrophobicContact CE-CG 4.03Å; T28-R32 PolarHBondContact O-N 3.38Å; L30-R32 PolarHBondContact O-N 3.08Å; R32-E35 PolarHBondContact O-N 3.41Å; R32-T36 PolarHBondContact O-N 3.42Å; R32-T36 PolarHBondContact O-OG1 2.78Å |
| 33 | Y | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.6 | -38.3 | 174.9 | -174.8 | -120.7 | 0 | 0 | 0 | 111.7 | F5 M8 R9 V12 T29 L30 E31 T36 Q37 D44 A47 | F5-Y33 HydrophobicContact CD2-CD2 4.22Å; F5-Y33 AromaticContact CD2-CE2 3.52Å; F5-Y33 HydrophobicContact CD2-CE2 3.52Å; F5-Y33 HydrophobicContact CE2-CD2 4.18Å; F5-Y33 HydrophobicContact CE2-CE1 4.3Å; F5-Y33 AromaticContact CE2-CE2 3.27Å; F5-Y33 HydrophobicContact CE2-CE2 3.27Å; F5-Y33 AromaticContact CE2-CZ 3.36Å; F5-Y33 VanDerWaalsContact CE2-OH 3.29Å; F5-Y33 WeakPolarHBondContact CE2-OH 3.39Å; F5-Y33 HydrophobicContact CG-CE2 4.43Å; F5-Y33 HydrophobicContact CZ-CE2 4.04Å; F5-Y33 AromaticContact CZ-CZ 3.79Å; F5-Y33 WeakPolarHBondContact CZ-OH 3.41Å; M8-Y33 HydrophobicContact CB-CD2 3.59Å; M8-Y33 HydrophobicContact CB-CE2 3.9Å; M8-Y33 HydrophobicContact CE-CD2 4.31Å; M8-Y33 HydrophobicContact SD-CD2 4.48Å; R9-Y33 HydrophobicContact CB-CE2 4.22Å; R9-Y33 WeakPolarHBondContact CB-OH 3.45Å; R9-Y33 WeakPolarHBondContact CG-OH 3.43Å; V12-Y33 HydrophobicContact CB-CD1 4.38Å; V12-Y33 HydrophobicContact CB-CE1 4.29Å; V12-Y33 HydrophobicContact CG1-CD1 4.06Å; V12-Y33 HydrophobicContact CG1-CE1 3.97Å; V12-Y33 HydrophobicContact CG2-CD1 3.93Å; V12-Y33 HydrophobicContact CG2-CD2 4.2Å; V12-Y33 HydrophobicContact CG2-CE1 4.29Å; V12-Y33 HydrophobicContact CG2-CG 3.86Å; T29-Y33 PolarHBondContact O-N 2.98Å; T29-Y33 VanDerWaalsContact O-N 3.09Å; L30-Y33 CarbonylContact O-C 3.15Å; L30-Y33 WeakPolarHBondContact O-CA 3.29Å; L30-Y33 VanDerWaalsContact O-CB 3.3Å; L30-Y33 WeakPolarHBondContact O-CB 3.44Å; L30-Y33 PolarHBondContact O-N 3.38Å; E31-Y33 PolarHBondContact O-N 3.26Å; Y33-T36 WeakPolarHBondContact O-CB 3.49Å; Y33-T36 PolarHBondContact O-N 3.4Å; Y33-Q37 WeakPolarHBondContact O-CG 3.32Å; Y33-Q37 PolarHBondContact O-N 3.02Å; Y33-D44 HydrophobicContact CE1-CB 3.7Å; Y33-D44 WeakPolarHBondContact CE1-OD2 3.48Å; Y33-D44 PolarHBondContact OH-OD2 3.13Å; Y33-A47 HydrophobicContact CD1-CB 3.78Å; Y33-A47 HydrophobicContact CE1-CB 3.65Å |
| 34 | V | 94.3 | Very high | 91.3 | Very high | 2 Ų | 2 | 50.6 Ų | 50.6 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 171.5 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | L30 E31 T36 Q37 A38 V51 V66 Q69 I70 | L30-V34 WeakPolarHBondContact O-CG2 3.47Å; L30-V34 PolarHBondContact O-N 3.35Å; E31-V34 WeakPolarHBondContact O-CB 3.42Å; E31-V34 PolarHBondContact O-N 2.86Å; V34-T36 PolarHBondContact O-N 3.18Å; V34-Q37 WeakPolarHBondContact O-CB 3.34Å; V34-Q37 PolarHBondContact O-N 2.62Å; V34-Q37 VanDerWaalsContact O-N 3.09Å; V34-A38 PolarHBondContact O-N 3.19Å; V34-V51 HydrophobicContact CG2-CG2 4.31Å; V34-V66 HydrophobicContact CB-CG1 4.08Å; V34-V66 HydrophobicContact CG1-CG1 3.99Å; V34-V66 HydrophobicContact CG2-CG1 4.12Å; V34-Q69 HydrophobicContact CG1-CB 3.9Å; V34-I70 HydrophobicContact CG1-CG1 3.79Å; V34-I70 HydrophobicContact CG2-CD1 4.12Å; V34-I70 HydrophobicContact CG2-CG1 3.99Å |
| 35 | E | 92.9 | Very high | 91.5 | Very high | 73 Ų | 73 | 50.8 Ų | 50.8 | 34% | 0.341 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.3 | -38.3 | 175.7 | -69.4 | -178 | -175.6 | 0 | 0 | 111.9 | E31 R32 A38 R39 | E31-E35 PolarHBondContact O-N 2.9Å; R32-E35 PolarHBondContact O-N 3.41Å; E35-A38 PolarHBondContact O-N 3.13Å; E35-R39 WeakPolarHBondContact O-CG 3.44Å; E35-R39 PolarHBondContact O-N 2.94Å; E35-R39 IonicContact OE2-NH2 3.63Å |
| 36 | T | 92.5 | Very high | 91.7 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 10% | 0.098 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.9 | -39.1 | 177 | -54 | 0 | 0 | 0 | 0 | 111.1 | F5 R32 Y33 V34 A38 R39 E40 | F5-T36 HydrophobicContact CB-CG2 4.02Å; F5-T36 HydrophobicContact CD2-CG2 4.25Å; R32-T36 PolarHBondContact O-N 3.42Å; R32-T36 PolarHBondContact O-OG1 2.78Å; Y33-T36 WeakPolarHBondContact O-CB 3.49Å; Y33-T36 PolarHBondContact O-N 3.4Å; V34-T36 PolarHBondContact O-N 3.18Å; T36-A38 VanDerWaalsContact C-N 3.32Å; T36-A38 PolarHBondContact O-N 3.33Å; T36-R39 PolarHBondContact O-N 3.46Å; T36-E40 HydrophobicContact CG2-CG 4.14Å; T36-E40 WeakPolarHBondContact O-CB 3.36Å; T36-E40 PolarHBondContact O-N 3.34Å |
| 37 | Q | 93.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -42 | 172.7 | -72.3 | 175.5 | 67.1 | 0 | 0 | 112.1 | F5 Y33 V34 N41 A42 N48 | F5-Q37 HydrophobicContact CD2-CG 4.28Å; F5-Q37 HydrophobicContact CE2-CG 3.57Å; F5-Q37 HydrophobicContact CZ-CG 4.46Å; Y33-Q37 WeakPolarHBondContact O-CG 3.32Å; Y33-Q37 PolarHBondContact O-N 3.02Å; V34-Q37 WeakPolarHBondContact O-CB 3.34Å; V34-Q37 PolarHBondContact O-N 2.62Å; V34-Q37 VanDerWaalsContact O-N 3.09Å; Q37-N41 WeakPolarHBondContact O-CA 3.31Å; Q37-N41 PolarHBondContact O-N 3.44Å; Q37-A42 WeakPolarHBondContact CB-O 3.49Å; Q37-A42 PolarHBondContact O-N 2.88Å; Q37-A42 VanDerWaalsContact O-N 3.08Å; Q37-N48 PolarHBondContact NE2-OD1 3.06Å; Q37-N48 PolarHBondContact OE1-ND2 3.18Å; Q37-N48 VanDerWaalsContact OE1-ND2 3.13Å; Q37-N48 PolarHBondContact OE1-OD1 3.4Å |
| 38 | A | 91.8 | Very high | 92 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | V34 E35 T36 G132 I133 T134 | V34-A38 PolarHBondContact O-N 3.19Å; E35-A38 PolarHBondContact O-N 3.13Å; T36-A38 VanDerWaalsContact C-N 3.32Å; T36-A38 PolarHBondContact O-N 3.33Å; A38-G132 CarbonylContact C-O 3.51Å; A38-I133 HydrophobicContact CB-CG1 4.31Å; A38-T134 PolarHBondContact O-N 2.65Å |
| 39 | R | 91.1 | Very high | 92 | Very high | 168 Ų | 168 | 43.3 Ų | 43.3 | 63% | 0.634 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -72.9 | -46.7 | -177.2 | -69.3 | 179.9 | -173.4 | 169.1 | 9.5 | 113.7 | E35 T36 N41 T134 | E35-R39 WeakPolarHBondContact O-CG 3.44Å; E35-R39 PolarHBondContact O-N 2.94Å; E35-R39 IonicContact OE2-NH2 3.63Å; T36-R39 PolarHBondContact O-N 3.46Å; R39-N41 VanDerWaalsContact C-N 3.27Å; R39-N41 PolarHBondContact O-N 3.21Å; R39-T134 WeakPolarHBondContact O-CB 3.43Å; R39-T134 PolarHBondContact O-OG1 3.39Å |
| 40 | E | 90.9 | Very high | 92 | Very high | 76 Ų | 76 | 41 Ų | 41 | 36% | 0.355 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 5.1 | -176.2 | -62.3 | -167.6 | -169.9 | 0 | 0 | 113.1 | S3 T4 F5 T36 A42 | S3-E40 WeakPolarHBondContact CB-OE2 3.42Å; S3-E40 PolarHBondContact OG-OE2 3.15Å; T4-E40 VanDerWaalsContact CB-OE1 3.26Å; T4-E40 WeakPolarHBondContact CB-OE1 3.36Å; T4-E40 PolarHBondContact OG1-OE1 2.62Å; F5-E40 WeakPolarHBondContact CB-OE2 3.33Å; F5-E40 PolarHBondContact N-OE2 3.44Å; T36-E40 HydrophobicContact CG2-CG 4.14Å; T36-E40 WeakPolarHBondContact O-CB 3.36Å; T36-E40 PolarHBondContact O-N 3.34Å; E40-A42 PolarHBondContact O-N 3.22Å |
| 41 | N | 90.3 | Very high | 92.1 | Very high | 68 Ų | 68 | 40.9 Ų | 40.9 | 36% | 0.364 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 38 | -173.1 | -165.6 | 20 | 0 | 0 | 0 | 113.2 | Q37 R39 K73 T134 | Q37-N41 WeakPolarHBondContact O-CA 3.31Å; Q37-N41 PolarHBondContact O-N 3.44Å; R39-N41 VanDerWaalsContact C-N 3.27Å; R39-N41 PolarHBondContact O-N 3.21Å; N41-K73 PolarHBondContact OD1-NZ 3.14Å; N41-K73 VanDerWaalsContact OD1-NZ 3.11Å; N41-T134 HydrophobicContact CB-CG2 4.4Å; N41-T134 WeakPolarHBondContact CB-O 3.49Å; N41-T134 VanDerWaalsContact CG-O 3.25Å; N41-T134 PolarHBondContact OD1-O 3.11Å |
| 42 | A | 90.1 | Very high | 92.1 | Very high | 16 Ų | 16 | 39.6 Ų | 39.6 | 13% | 0.132 | 18% | 0.179 | C | C | . | . | trans | -95.5 | 171 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | F5 Q37 E40 K73 | F5-A42 HydrophobicContact CD1-CB 3.64Å; F5-A42 HydrophobicContact CD2-CB 3.52Å; F5-A42 HydrophobicContact CE1-CB 3.56Å; F5-A42 HydrophobicContact CE2-CB 3.45Å; F5-A42 VanDerWaalsContact CE2-CB 3.45Å; F5-A42 HydrophobicContact CG-CB 3.62Å; F5-A42 HydrophobicContact CZ-CB 3.46Å; F5-A42 VanDerWaalsContact CZ-CB 3.46Å; Q37-A42 WeakPolarHBondContact CB-O 3.49Å; Q37-A42 PolarHBondContact O-N 2.88Å; Q37-A42 VanDerWaalsContact O-N 3.08Å; E40-A42 PolarHBondContact O-N 3.22Å; A42-K73 WeakPolarHBondContact O-CE 3.48Å; A42-K73 PolarHBondContact O-NZ 3.05Å | ||
| 43 | Y | 91 | Very high | 91.9 | Very high | 51 Ų | 51 | 32.4 Ų | 32.4 | 20% | 0.2 | 15% | 0.152 | C | C | . | . | trans | -153.7 | 132.9 | -178 | -171.1 | -107.8 | 0 | 0 | 0 | 112.3 | L45 K73 N77 D82 | Y43-L45 HydrophobicContact CE1-CB 3.95Å; Y43-K73 HydrophobicContact CD2-CB 4.11Å; Y43-K73 HydrophobicContact CE2-CB 4.08Å; Y43-N77 HydrophobicContact CD1-CB 4.45Å; Y43-N77 HydrophobicContact CE1-CB 4.04Å; Y43-N77 VanDerWaalsContact CE1-ND2 3.27Å; Y43-N77 WeakPolarHBondContact CE1-ND2 3.12Å; Y43-D82 WeakPolarHBondContact CE1-OD2 3.39Å; Y43-D82 VanDerWaalsContact CZ-OD2 3.26Å; Y43-D82 VanDerWaalsContact OH-CB 3.27Å; Y43-D82 WeakPolarHBondContact OH-CB 3.18Å; Y43-D82 PolarHBondContact OH-OD2 3.28Å | ||
| 44 | D | 92.3 | Very high | 91.8 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 12% | 0.118 | 15% | 0.153 | C | C | . | . | trans | -145.1 | 92.9 | 179.4 | -165.5 | -27.9 | 0 | 0 | 0 | 110.4 | Y33 E46 A47 N48 | Y33-D44 HydrophobicContact CE1-CB 3.7Å; Y33-D44 WeakPolarHBondContact CE1-OD2 3.48Å; Y33-D44 PolarHBondContact OH-OD2 3.13Å; D44-E46 VanDerWaalsContact C-N 3.33Å; D44-E46 PolarHBondContact O-N 2.77Å; D44-E46 PolarHBondContact OD1-N 3.48Å; D44-A47 HydrophobicContact CB-CB 4.22Å; D44-A47 PolarHBondContact O-N 3.47Å; D44-A47 PolarHBondContact OD1-N 3.31Å; D44-N48 PolarHBondContact O-N 3.31Å; D44-N48 VanDerWaalsContact O-N 3.14Å; D44-N48 PolarHBondContact O-ND2 3.06Å; D44-N48 PolarHBondContact O-OD1 3.15Å | ||
| 45 | L | 90.1 | Very high | 91.7 | Very high | 42 Ų | 42 | 32.6 Ų | 32.6 | 22% | 0.22 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.6 | -39.6 | -176.1 | 178.1 | 64 | 0 | 0 | 0 | 112.6 | Y43 A47 N48 L49 D82 | Y43-L45 HydrophobicContact CE1-CB 3.95Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-A47 PolarHBondContact O-N 2.85Å; L45-N48 PolarHBondContact O-N 2.95Å; L45-L49 HydrophobicContact CD1-CD1 3.99Å; L45-L49 HydrophobicContact CD1-CD2 4.31Å; L45-L49 HydrophobicContact CD1-CG 3.85Å; L45-L49 HydrophobicContact CD2-CD1 4.37Å; L45-L49 HydrophobicContact CG-CD1 3.87Å; L45-L49 HydrophobicContact CG-CG 4.15Å; L45-L49 WeakPolarHBondContact O-CG 3.29Å; L45-L49 PolarHBondContact O-N 3.31Å; L45-D82 HydrophobicContact CD1-CB 3.92Å; L45-D82 HydrophobicContact CD2-CB 4.42Å; L45-D82 WeakPolarHBondContact CD2-OD1 3.33Å |
| 46 | E | 90.4 | Very high | 91.5 | Very high | 107 Ų | 107 | 31.9 Ų | 31.9 | 50% | 0.5 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -63.8 | -43 | -176.1 | -168.6 | -176.6 | 177.6 | 0 | 0 | 111 | L16 D44 A50 | L16-E46 HydrophobicContact CD1-CB 4.34Å; L16-E46 HydrophobicContact CD1-CG 4.07Å; D44-E46 VanDerWaalsContact C-N 3.33Å; D44-E46 PolarHBondContact O-N 2.77Å; D44-E46 PolarHBondContact OD1-N 3.48Å; E46-A50 WeakPolarHBondContact O-CB 3.48Å; E46-A50 PolarHBondContact O-N 3.34Å |
| 47 | A | 91.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.4 | -41.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V12 L16 Y33 D44 L45 A50 V51 | V12-A47 HydrophobicContact CG1-CB 3.83Å; L16-A47 HydrophobicContact CD1-CB 4.07Å; Y33-A47 HydrophobicContact CD1-CB 3.78Å; Y33-A47 HydrophobicContact CE1-CB 3.65Å; D44-A47 HydrophobicContact CB-CB 4.22Å; D44-A47 PolarHBondContact O-N 3.47Å; D44-A47 PolarHBondContact OD1-N 3.31Å; L45-A47 VanDerWaalsContact C-N 3.34Å; L45-A47 PolarHBondContact O-N 2.85Å; A47-A50 WeakPolarHBondContact O-CB 3.45Å; A47-A50 PolarHBondContact O-N 3.37Å; A47-V51 WeakPolarHBondContact O-CG2 3.47Å; A47-V51 PolarHBondContact O-N 3.48Å |
| 48 | N | 93.8 | Very high | 91 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 179.7 | -65.5 | -14.6 | 0 | 0 | 0 | 111.6 | Q37 D44 L45 A50 V51 L52 I70 | Q37-N48 PolarHBondContact NE2-OD1 3.06Å; Q37-N48 PolarHBondContact OE1-ND2 3.18Å; Q37-N48 VanDerWaalsContact OE1-ND2 3.13Å; Q37-N48 PolarHBondContact OE1-OD1 3.4Å; D44-N48 PolarHBondContact O-N 3.31Å; D44-N48 VanDerWaalsContact O-N 3.14Å; D44-N48 PolarHBondContact O-ND2 3.06Å; D44-N48 PolarHBondContact O-OD1 3.15Å; L45-N48 PolarHBondContact O-N 2.95Å; N48-A50 VanDerWaalsContact C-N 3.31Å; N48-A50 PolarHBondContact O-N 3.44Å; N48-V51 PolarHBondContact O-N 3.38Å; N48-L52 PolarHBondContact O-N 3.33Å; N48-L52 VanDerWaalsContact O-N 3.12Å; N48-I70 HydrophobicContact CB-CD1 4.45Å; N48-I70 HydrophobicContact CB-CG1 4.18Å; N48-I70 HydrophobicContact CB-CG2 3.85Å |
| 49 | L | 91.4 | Very high | 90.8 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.4 | -35.7 | 175.4 | -68.1 | 176.7 | 0 | 0 | 0 | 111.8 | L45 L52 K53 L85 M89 I215 | L45-L49 HydrophobicContact CD1-CD1 3.99Å; L45-L49 HydrophobicContact CD1-CD2 4.31Å; L45-L49 HydrophobicContact CD1-CG 3.85Å; L45-L49 HydrophobicContact CD2-CD1 4.37Å; L45-L49 HydrophobicContact CG-CD1 3.87Å; L45-L49 HydrophobicContact CG-CG 4.15Å; L45-L49 WeakPolarHBondContact O-CG 3.29Å; L45-L49 PolarHBondContact O-N 3.31Å; L49-L52 PolarHBondContact O-N 2.84Å; L49-K53 WeakPolarHBondContact O-CB 3.3Å; L49-K53 PolarHBondContact O-N 3.3Å; L49-L85 HydrophobicContact CD2-CB 4.3Å; L49-M89 HydrophobicContact CD2-CG 4.07Å; L49-I215 HydrophobicContact CD1-CD1 3.85Å; L49-I215 HydrophobicContact CD1-CG1 4.4Å |
| 50 | A | 91.4 | Very high | 90.7 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L16 E46 A47 N48 K53 L54 | L16-A50 HydrophobicContact CD2-CB 3.47Å; L16-A50 VanDerWaalsContact CD2-CB 3.47Å; E46-A50 WeakPolarHBondContact O-CB 3.48Å; E46-A50 PolarHBondContact O-N 3.34Å; A47-A50 WeakPolarHBondContact O-CB 3.45Å; A47-A50 PolarHBondContact O-N 3.37Å; N48-A50 VanDerWaalsContact C-N 3.31Å; N48-A50 PolarHBondContact O-N 3.44Å; A50-K53 PolarHBondContact O-N 2.92Å; A50-L54 WeakPolarHBondContact O-CG 3.43Å; A50-L54 PolarHBondContact O-N 3.35Å |
| 51 | V | 93.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.8 | -52.3 | 174.3 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L30 V34 A47 N48 K53 L54 Y55 V66 I70 | L30-V51 HydrophobicContact CB-CG2 3.45Å; L30-V51 VanDerWaalsContact CB-CG2 3.45Å; L30-V51 HydrophobicContact CD1-CG2 4.18Å; L30-V51 HydrophobicContact CG-CG2 4.36Å; V34-V51 HydrophobicContact CG2-CG2 4.31Å; A47-V51 WeakPolarHBondContact O-CG2 3.47Å; A47-V51 PolarHBondContact O-N 3.48Å; N48-V51 PolarHBondContact O-N 3.38Å; V51-K53 PolarHBondContact O-N 3.3Å; V51-L54 PolarHBondContact O-N 3.3Å; V51-L54 VanDerWaalsContact O-N 3.11Å; V51-Y55 HydrophobicContact CG1-CD2 4.06Å; V51-Y55 HydrophobicContact CG1-CE1 4.41Å; V51-Y55 HydrophobicContact CG1-CE2 3.43Å; V51-Y55 VanDerWaalsContact CG1-CE2 3.43Å; V51-Y55 PolarHBondContact O-N 2.94Å; V51-V66 HydrophobicContact CG1-CG1 4.04Å; V51-I70 HydrophobicContact CB-CD1 3.94Å; V51-I70 HydrophobicContact CG1-CD1 3.81Å |
| 52 | L | 92.8 | Very high | 90.7 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.4 | -37.7 | 179 | -64.5 | 179.8 | 0 | 0 | 0 | 111.5 | N48 L49 Y55 Q56 T67 I70 C86 M89 I90 | N48-L52 PolarHBondContact O-N 3.33Å; N48-L52 VanDerWaalsContact O-N 3.12Å; L49-L52 PolarHBondContact O-N 2.84Å; L52-Y55 PolarHBondContact O-N 2.85Å; L52-Q56 PolarHBondContact O-N 2.92Å; L52-T67 HydrophobicContact CD2-CG2 3.91Å; L52-I70 HydrophobicContact CD1-CG2 3.89Å; L52-I70 HydrophobicContact CD2-CD1 3.97Å; L52-I70 HydrophobicContact CD2-CG2 4.46Å; L52-I70 HydrophobicContact CG-CD1 4.08Å; L52-I70 HydrophobicContact CG-CG2 4.23Å; L52-C86 HydrophobicContact CD1-CB 3.76Å; L52-M89 HydrophobicContact CB-CB 3.81Å; L52-M89 HydrophobicContact CD1-CB 4.07Å; L52-I90 HydrophobicContact CD1-CG1 4.44Å; L52-I90 HydrophobicContact CD2-CD1 4.41Å; L52-I90 HydrophobicContact CD2-CG1 4.12Å |
| 53 | K | 90.3 | Very high | 90.8 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.035 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.9 | -40.9 | 176.8 | -169.2 | 166.1 | -172 | 172.8 | 0 | 113.5 | Y22 L49 A50 V51 Y55 Q56 F57 M89 T218 | Y22-K53 HydrophobicContact CE1-CD 4.22Å; L49-K53 WeakPolarHBondContact O-CB 3.3Å; L49-K53 PolarHBondContact O-N 3.3Å; A50-K53 PolarHBondContact O-N 2.92Å; V51-K53 PolarHBondContact O-N 3.3Å; K53-Y55 VanDerWaalsContact C-N 3.27Å; K53-Y55 PolarHBondContact O-N 3.38Å; K53-Q56 WeakPolarHBondContact O-CB 3.03Å; K53-Q56 PolarHBondContact O-N 3.07Å; K53-F57 HydrophobicContact CD-CE2 4.24Å; K53-F57 VanDerWaalsContact CE-CE2 3.47Å; K53-F57 HydrophobicContact CG-CD2 4.24Å; K53-F57 HydrophobicContact CG-CE2 3.91Å; K53-F57 HydrophobicContact CG-CZ 4.29Å; K53-F57 PolarHBondContact O-N 3.4Å; K53-M89 HydrophobicContact CB-CE 3.61Å; K53-M89 HydrophobicContact CD-CE 4.02Å; K53-M89 HydrophobicContact CG-CE 3.79Å; K53-T218 WeakPolarHBondContact CE-O 3.1Å; K53-T218 PolarHBondContact NZ-O 2.95Å; K53-T218 PolarHBondContact NZ-OG1 2.79Å |
| 54 | L | 90.8 | Very high | 90.9 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.1 | -37.8 | 174.5 | -77.6 | 170.2 | 0 | 0 | 0 | 111.4 | Y22 L27 L30 A50 V51 F57 N58 | Y22-L54 WeakPolarHBondContact O-CD2 3.47Å; L27-L54 HydrophobicContact CB-CD1 4.48Å; L27-L54 HydrophobicContact CD1-CB 3.96Å; L27-L54 HydrophobicContact CG-CD1 4.42Å; L30-L54 HydrophobicContact CD1-CD1 3.72Å; A50-L54 WeakPolarHBondContact O-CG 3.43Å; A50-L54 PolarHBondContact O-N 3.35Å; V51-L54 PolarHBondContact O-N 3.3Å; V51-L54 VanDerWaalsContact O-N 3.11Å; L54-F57 PolarHBondContact O-N 3.24Å; L54-N58 WeakPolarHBondContact O-CB 3.49Å; L54-N58 PolarHBondContact O-N 3.27Å; L54-N58 PolarHBondContact O-ND2 3.24Å |
| 55 | Y | 92.3 | Very high | 90.8 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 172.6 | -64.8 | -29.8 | 0 | 0 | 0 | 112.5 | L27 E31 V51 L52 K53 F57 N58 P59 Y61 F62 Q63 V66 | L27-Y55 HydrophobicContact CD1-CD1 3.9Å; L27-Y55 HydrophobicContact CD1-CE1 3.75Å; L27-Y55 HydrophobicContact CD2-CD1 4.48Å; L27-Y55 HydrophobicContact CD2-CE1 3.52Å; L27-Y55 HydrophobicContact CG-CE1 4.06Å; E31-Y55 WeakPolarHBondContact CG-OH 3.5Å; E31-Y55 PolarHBondContact OE1-OH 2.88Å; V51-Y55 HydrophobicContact CG1-CD2 4.06Å; V51-Y55 HydrophobicContact CG1-CE1 4.41Å; V51-Y55 HydrophobicContact CG1-CE2 3.43Å; V51-Y55 VanDerWaalsContact CG1-CE2 3.43Å; V51-Y55 PolarHBondContact O-N 2.94Å; L52-Y55 PolarHBondContact O-N 2.85Å; K53-Y55 VanDerWaalsContact C-N 3.27Å; K53-Y55 PolarHBondContact O-N 3.38Å; Y55-F57 VanDerWaalsContact C-N 3.35Å; Y55-F57 PolarHBondContact O-N 2.97Å; Y55-N58 CarbonylContact O-C 3.2Å; Y55-N58 PolarHBondContact O-N 3.31Å; Y55-P59 WeakPolarHBondContact O-CA 3.48Å; Y55-Y61 VanDerWaalsContact CD1-O 3.3Å; Y55-Y61 WeakPolarHBondContact CD1-O 3.39Å; Y55-Y61 WeakPolarHBondContact CE1-O 3.42Å; Y55-F62 HydrophobicContact CD2-CD2 4.23Å; Y55-F62 HydrophobicContact CG-CD2 4.19Å; Y55-Q63 WeakPolarHBondContact OH-CB 3.49Å; Y55-V66 WeakPolarHBondContact OH-CB 3.35Å |
| 56 | Q | 88.7 | Confident | 91 | Very high | 58 Ų | 58 | 44 Ų | 44 | 27% | 0.271 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 175.7 | -173.3 | 174.4 | 46.9 | 0 | 0 | 112 | L52 K53 | L52-Q56 PolarHBondContact O-N 2.92Å; K53-Q56 WeakPolarHBondContact O-CB 3.03Å; K53-Q56 PolarHBondContact O-N 3.07Å |
| 57 | F | 87.5 | Confident | 91.2 | Very high | 88 Ų | 88 | 38.9 Ų | 38.9 | 39% | 0.386 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -75 | -27.2 | 176.6 | -68.2 | -29.3 | 0 | 0 | 0 | 113.8 | Y22 K53 L54 Y55 T218 | Y22-F57 HydrophobicContact CD1-CD2 4.21Å; Y22-F57 AromaticContact CD1-CE2 3.73Å; Y22-F57 HydrophobicContact CD1-CE2 3.73Å; Y22-F57 AromaticContact CE1-CE2 3.88Å; Y22-F57 HydrophobicContact CE1-CE2 3.88Å; K53-F57 HydrophobicContact CD-CE2 4.24Å; K53-F57 VanDerWaalsContact CE-CE2 3.47Å; K53-F57 HydrophobicContact CG-CD2 4.24Å; K53-F57 HydrophobicContact CG-CE2 3.91Å; K53-F57 HydrophobicContact CG-CZ 4.29Å; K53-F57 PolarHBondContact O-N 3.4Å; L54-F57 PolarHBondContact O-N 3.24Å; Y55-F57 VanDerWaalsContact C-N 3.35Å; Y55-F57 PolarHBondContact O-N 2.97Å; F57-T218 WeakPolarHBondContact CZ-O 3.5Å |
| 58 | N | 89.1 | Confident | 91.3 | Very high | 47 Ų | 47 | 39.3 Ų | 39.3 | 25% | 0.251 | 22% | 0.215 | S | C | . | . | trans | -132.8 | 78.4 | -176.4 | -47.9 | -92.6 | 0 | 0 | 0 | 110.6 | L54 Y55 A60 Y61 | L54-N58 WeakPolarHBondContact O-CB 3.49Å; L54-N58 PolarHBondContact O-N 3.27Å; L54-N58 PolarHBondContact O-ND2 3.24Å; Y55-N58 CarbonylContact O-C 3.2Å; Y55-N58 PolarHBondContact O-N 3.31Å; N58-A60 PolarHBondContact O-N 3.36Å; N58-Y61 HydrophobicContact CB-CD2 3.59Å; N58-Y61 HydrophobicContact CB-CE2 4.17Å; N58-Y61 PolarHBondContact O-N 3.49Å | ||
| 59 | P | 87.4 | Confident | 91.3 | Very high | 81 Ų | 81 | 40.8 Ų | 40.8 | 53% | 0.526 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -56.9 | -26.1 | -175.5 | -28 | 35.7 | 0 | 0 | 0 | 114.4 | Y55 Y61 F62 | Y55-P59 WeakPolarHBondContact O-CA 3.48Å; P59-Y61 PolarHBondContact O-N 3.36Å; P59-F62 VanDerWaalsContact O-CB 3.3Å; P59-F62 WeakPolarHBondContact O-CB 3.48Å; P59-F62 PolarHBondContact O-N 3.32Å; P59-F62 VanDerWaalsContact O-N 3.14Å |
| 60 | A | 89.4 | Confident | 91.4 | Very high | 100 Ų | 100 | 39.9 Ų | 39.9 | 83% | 0.826 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -63.7 | -20.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N58 | N58-A60 PolarHBondContact O-N 3.36Š|
| 61 | Y | 89.9 | Confident | 91.6 | Very high | 127 Ų | 127 | 39.7 Ų | 39.7 | 50% | 0.498 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -99 | 2.5 | 177.9 | -63.5 | -82.8 | 0 | 0 | 0 | 113 | P24 L27 Y55 N58 P59 Q63 | P24-Y61 HydrophobicContact CB-CE2 4.2Å; L27-Y61 HydrophobicContact CD1-CG 4.35Å; Y55-Y61 VanDerWaalsContact CD1-O 3.3Å; Y55-Y61 WeakPolarHBondContact CD1-O 3.39Å; Y55-Y61 WeakPolarHBondContact CE1-O 3.42Å; N58-Y61 HydrophobicContact CB-CD2 3.59Å; N58-Y61 HydrophobicContact CB-CE2 4.17Å; N58-Y61 PolarHBondContact O-N 3.49Å; P59-Y61 PolarHBondContact O-N 3.36Å; Y61-Q63 PolarHBondContact O-N 3.4Å |
| 62 | F | 91.1 | Very high | 91.5 | Very high | 31 Ų | 31 | 39.8 Ų | 39.8 | 14% | 0.136 | 22% | 0.216 | C | C | . | . | trans | -56.8 | 123.5 | -177.3 | -174.9 | -85 | 0 | 0 | 0 | 110.9 | Y55 P59 T67 H94 E98 I101 | Y55-F62 HydrophobicContact CD2-CD2 4.23Å; Y55-F62 HydrophobicContact CG-CD2 4.19Å; P59-F62 VanDerWaalsContact O-CB 3.3Å; P59-F62 WeakPolarHBondContact O-CB 3.48Å; P59-F62 PolarHBondContact O-N 3.32Å; P59-F62 VanDerWaalsContact O-N 3.14Å; F62-T67 HydrophobicContact CE2-CG2 4.44Å; F62-T67 HydrophobicContact CZ-CG2 4.07Å; F62-H94 AromaticContact CE1-CD2 3.98Å; F62-H94 HydrophobicContact CE2-CB 4.31Å; F62-H94 HydrophobicContact CZ-CB 4.02Å; F62-H94 AromaticContact CZ-CG 3.97Å; F62-E98 VanDerWaalsContact CE1-OE2 3.25Å; F62-E98 WeakPolarHBondContact CE1-OE2 3.36Å; F62-I101 HydrophobicContact CE1-CD1 4.04Å; F62-I101 HydrophobicContact CZ-CD1 3.64Å | ||
| 63 | Q | 91.9 | Very high | 91.6 | Very high | 98 Ų | 98 | 39.8 Ų | 39.8 | 46% | 0.458 | 22% | 0.216 | S | C | . | . | trans | -116.6 | 115.9 | 176 | -70.5 | -81 | 45.5 | 0 | 0 | 110.9 | E31 Y55 Y61 T65 V66 T67 | E31-Q63 WeakPolarHBondContact OE1-CG 3.48Å; Y55-Q63 WeakPolarHBondContact OH-CB 3.49Å; Y61-Q63 PolarHBondContact O-N 3.4Å; Q63-T65 PolarHBondContact O-N 3.08Å; Q63-V66 HydrophobicContact CB-CB 4.22Å; Q63-V66 HydrophobicContact CB-CG2 4.04Å; Q63-V66 PolarHBondContact O-N 3Å; Q63-T67 WeakPolarHBondContact O-CB 3.32Å; Q63-T67 PolarHBondContact O-N 2.8Å; Q63-T67 VanDerWaalsContact O-N 3.08Å; Q63-T67 PolarHBondContact O-OG1 3.1Å | ||
| 64 | T | 92 | Very high | 91.7 | Very high | 39 Ų | 39 | 39.4 Ų | 39.4 | 24% | 0.239 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 179.9 | -51.4 | 0 | 0 | 0 | 0 | 112.1 | S68 E98 P100 I101 | T64-S68 WeakPolarHBondContact O-CB 3.34Å; T64-S68 PolarHBondContact O-N 3.24Å; T64-S68 PolarHBondContact O-OG 3.14Å; T64-E98 WeakPolarHBondContact CB-OE2 3.28Å; T64-E98 VanDerWaalsContact CG2-OE2 3.3Å; T64-E98 WeakPolarHBondContact CG2-OE2 3.18Å; T64-E98 PolarHBondContact OG1-OE2 3.24Å; T64-P100 VanDerWaalsContact CG2-CD 3.42Å; T64-I101 HydrophobicContact CG2-CD1 4.26Å; T64-I101 HydrophobicContact CG2-CG1 4.23Å |
| 65 | T | 91.8 | Very high | 91.7 | Very high | 96 Ų | 96 | 39.4 Ų | 39.4 | 59% | 0.589 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -64.9 | -45.9 | -178.7 | -54.3 | 0 | 0 | 0 | 0 | 112.3 | Q63 S68 Q69 | Q63-T65 PolarHBondContact O-N 3.08Å; T65-S68 WeakPolarHBondContact O-CB 3.07Å; T65-S68 PolarHBondContact O-N 3.3Å; T65-Q69 WeakPolarHBondContact O-CG 3.24Å; T65-Q69 PolarHBondContact O-N 3.05Å |
| 66 | V | 93.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 40 Ų | 40 | 5% | 0.048 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.7 | -43.9 | 179.9 | -179.5 | 0 | 0 | 0 | 0 | 110 | E31 V34 V51 Y55 Q63 S68 Q69 I70 | E31-V66 HydrophobicContact CB-CG1 4.49Å; E31-V66 HydrophobicContact CB-CG2 4.08Å; E31-V66 HydrophobicContact CG-CG1 4.14Å; E31-V66 HydrophobicContact CG-CG2 3.89Å; V34-V66 HydrophobicContact CB-CG1 4.08Å; V34-V66 HydrophobicContact CG1-CG1 3.99Å; V34-V66 HydrophobicContact CG2-CG1 4.12Å; V51-V66 HydrophobicContact CG1-CG1 4.04Å; Y55-V66 WeakPolarHBondContact OH-CB 3.35Å; Q63-V66 HydrophobicContact CB-CB 4.22Å; Q63-V66 HydrophobicContact CB-CG2 4.04Å; Q63-V66 PolarHBondContact O-N 3Å; V66-S68 VanDerWaalsContact C-N 3.29Å; V66-S68 PolarHBondContact O-N 3.17Å; V66-Q69 PolarHBondContact O-N 3.36Å; V66-I70 HydrophobicContact CG1-CD1 4.11Å; V66-I70 WeakPolarHBondContact O-CG1 3.39Å; V66-I70 PolarHBondContact O-N 3.28Å |
| 67 | T | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59 | -41.5 | 176 | -58.6 | 0 | 0 | 0 | 0 | 111.7 | L52 F62 Q63 I70 L71 I90 I101 | L52-T67 HydrophobicContact CD2-CG2 3.91Å; F62-T67 HydrophobicContact CE2-CG2 4.44Å; F62-T67 HydrophobicContact CZ-CG2 4.07Å; Q63-T67 WeakPolarHBondContact O-CB 3.32Å; Q63-T67 PolarHBondContact O-N 2.8Å; Q63-T67 VanDerWaalsContact O-N 3.08Å; Q63-T67 PolarHBondContact O-OG1 3.1Å; T67-I70 PolarHBondContact O-N 3.45Å; T67-L71 HydrophobicContact CG2-CD1 4.42Å; T67-L71 WeakPolarHBondContact O-CG 3.46Å; T67-L71 PolarHBondContact O-N 3.02Å; T67-I90 HydrophobicContact CG2-CD1 3.56Å; T67-I90 HydrophobicContact CG2-CG1 4.12Å; T67-I101 HydrophobicContact CG2-CD1 3.84Å; T67-I101 HydrophobicContact CG2-CG1 4.42Å |
| 68 | S | 93.2 | Very high | 91.3 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 7% | 0.07 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.7 | -44.9 | 175.9 | -61 | 0 | 0 | 0 | 0 | 112.1 | T64 T65 V66 L71 L72 I104 | T64-S68 WeakPolarHBondContact O-CB 3.34Å; T64-S68 PolarHBondContact O-N 3.24Å; T64-S68 PolarHBondContact O-OG 3.14Å; T65-S68 WeakPolarHBondContact O-CB 3.07Å; T65-S68 PolarHBondContact O-N 3.3Å; V66-S68 VanDerWaalsContact C-N 3.29Å; V66-S68 PolarHBondContact O-N 3.17Å; S68-L71 PolarHBondContact O-N 3.31Å; S68-L72 WeakPolarHBondContact O-CB 3.36Å; S68-L72 WeakPolarHBondContact O-CD1 3.36Å; S68-L72 VanDerWaalsContact O-CG 3.3Å; S68-L72 WeakPolarHBondContact O-CG 3.3Å; S68-L72 PolarHBondContact O-N 3.09Å; S68-I104 VanDerWaalsContact CB-CD1 3.46Å |
| 69 | Q | 94.1 | Very high | 90.7 | Very high | 33 Ų | 33 | 35.3 Ų | 35.3 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63 | -42.2 | 176.5 | -72.3 | 175.3 | -8 | 0 | 0 | 112 | V34 T65 V66 L72 K73 | V34-Q69 HydrophobicContact CG1-CB 3.9Å; T65-Q69 WeakPolarHBondContact O-CG 3.24Å; T65-Q69 PolarHBondContact O-N 3.05Å; V66-Q69 PolarHBondContact O-N 3.36Å; Q69-L72 PolarHBondContact O-N 2.94Å; Q69-K73 VanDerWaalsContact O-CB 3.27Å; Q69-K73 WeakPolarHBondContact O-CB 3.49Å; Q69-K73 VanDerWaalsContact O-CG 3.27Å; Q69-K73 WeakPolarHBondContact O-CG 3.34Å; Q69-K73 PolarHBondContact O-N 3.35Å |
| 70 | I | 95 | Very high | 90.4 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.2 | -49.9 | 175.7 | -70.3 | 168.2 | 0 | 0 | 0 | 110.5 | V34 N48 V51 L52 V66 T67 K73 A74 C86 | V34-I70 HydrophobicContact CG1-CG1 3.79Å; V34-I70 HydrophobicContact CG2-CD1 4.12Å; V34-I70 HydrophobicContact CG2-CG1 3.99Å; N48-I70 HydrophobicContact CB-CD1 4.45Å; N48-I70 HydrophobicContact CB-CG1 4.18Å; N48-I70 HydrophobicContact CB-CG2 3.85Å; V51-I70 HydrophobicContact CB-CD1 3.94Å; V51-I70 HydrophobicContact CG1-CD1 3.81Å; L52-I70 HydrophobicContact CD1-CG2 3.89Å; L52-I70 HydrophobicContact CD2-CD1 3.97Å; L52-I70 HydrophobicContact CD2-CG2 4.46Å; L52-I70 HydrophobicContact CG-CD1 4.08Å; L52-I70 HydrophobicContact CG-CG2 4.23Å; V66-I70 HydrophobicContact CG1-CD1 4.11Å; V66-I70 WeakPolarHBondContact O-CG1 3.39Å; V66-I70 PolarHBondContact O-N 3.28Å; T67-I70 PolarHBondContact O-N 3.45Å; I70-K73 PolarHBondContact O-N 2.96Å; I70-A74 WeakPolarHBondContact O-CB 3.09Å; I70-A74 PolarHBondContact O-N 3.03Å; I70-C86 HydrophobicContact CG2-CB 4.47Å |
| 71 | L | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62 | -45.7 | -180 | -73.3 | 174.3 | 0 | 0 | 0 | 112.1 | T67 S68 K73 A74 L75 F83 C86 I90 I101 I104 L105 | T67-L71 HydrophobicContact CG2-CD1 4.42Å; T67-L71 WeakPolarHBondContact O-CG 3.46Å; T67-L71 PolarHBondContact O-N 3.02Å; S68-L71 PolarHBondContact O-N 3.31Å; L71-K73 PolarHBondContact O-N 3.11Å; L71-A74 WeakPolarHBondContact O-CB 3.27Å; L71-A74 PolarHBondContact O-N 2.96Å; L71-L75 PolarHBondContact O-N 3.36Å; L71-F83 HydrophobicContact CB-CE2 4.39Å; L71-F83 HydrophobicContact CD2-CD2 4.38Å; L71-F83 HydrophobicContact CD2-CE2 4.08Å; L71-C86 HydrophobicContact CD2-CB 3.95Å; L71-I90 HydrophobicContact CD1-CD1 3.74Å; L71-I90 HydrophobicContact CD2-CD1 3.81Å; L71-I90 HydrophobicContact CG-CD1 3.94Å; L71-I101 HydrophobicContact CD1-CG2 3.93Å; L71-I104 HydrophobicContact CB-CG2 3.68Å; L71-I104 HydrophobicContact CD1-CG2 4.36Å; L71-L105 HydrophobicContact CD1-CD2 4.32Å; L71-L105 HydrophobicContact CD2-CD2 4.4Å |
| 72 | L | 93.6 | Very high | 89.9 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.9 | -39.9 | 178.3 | -72.2 | 164.2 | 0 | 0 | 0 | 111.5 | S68 Q69 L75 T76 I104 L129 I130 I133 F136 | S68-L72 WeakPolarHBondContact O-CB 3.36Å; S68-L72 WeakPolarHBondContact O-CD1 3.36Å; S68-L72 VanDerWaalsContact O-CG 3.3Å; S68-L72 WeakPolarHBondContact O-CG 3.3Å; S68-L72 PolarHBondContact O-N 3.09Å; Q69-L72 PolarHBondContact O-N 2.94Å; L72-L75 HydrophobicContact CD2-CD1 4.44Å; L72-L75 WeakPolarHBondContact O-CB 3.37Å; L72-L75 PolarHBondContact O-N 2.92Å; L72-T76 WeakPolarHBondContact O-CG2 3.41Å; L72-T76 PolarHBondContact O-N 2.93Å; L72-T76 VanDerWaalsContact O-N 3.15Å; L72-I104 HydrophobicContact CD1-CD1 3.93Å; L72-I104 HydrophobicContact CD1-CG1 4.37Å; L72-I104 HydrophobicContact CD2-CD1 4.49Å; L72-I104 HydrophobicContact CD2-CG1 4.13Å; L72-I104 HydrophobicContact CD2-CG2 3.89Å; L72-I104 HydrophobicContact CG-CD1 3.97Å; L72-I104 HydrophobicContact CG-CG1 4.15Å; L72-I104 HydrophobicContact CG-CG2 3.95Å; L72-L129 HydrophobicContact CD1-CB 4.44Å; L72-L129 WeakPolarHBondContact CD1-O 3.47Å; L72-I130 HydrophobicContact CD2-CG2 4.31Å; L72-I133 HydrophobicContact CB-CD1 3.29Å; L72-I133 HydrophobicContact CD1-CD1 3.45Å; L72-I133 VanDerWaalsContact CD1-CD1 3.45Å; L72-I133 HydrophobicContact CG-CD1 3.97Å; L72-F136 HydrophobicContact CB-CD2 4.49Å; L72-F136 HydrophobicContact CB-CE2 4.1Å; L72-F136 HydrophobicContact CD2-CE2 3.74Å; L72-F136 HydrophobicContact CD2-CZ 3.93Å; L72-F136 WeakPolarHBondContact O-CE2 3.46Å |
| 73 | K | 93.6 | Very high | 89.7 | Confident | 3 Ų | 3 | 24 Ų | 24 | 1% | 0.013 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.8 | -37.1 | 174 | -75.6 | -64.8 | -61.3 | -179.2 | 0 | 112.3 | N41 A42 Y43 Q69 I70 L71 L75 T76 N77 I133 | N41-K73 PolarHBondContact OD1-NZ 3.14Å; N41-K73 VanDerWaalsContact OD1-NZ 3.11Å; A42-K73 WeakPolarHBondContact O-CE 3.48Å; A42-K73 PolarHBondContact O-NZ 3.05Å; Y43-K73 HydrophobicContact CD2-CB 4.11Å; Y43-K73 HydrophobicContact CE2-CB 4.08Å; Q69-K73 VanDerWaalsContact O-CB 3.27Å; Q69-K73 WeakPolarHBondContact O-CB 3.49Å; Q69-K73 VanDerWaalsContact O-CG 3.27Å; Q69-K73 WeakPolarHBondContact O-CG 3.34Å; Q69-K73 PolarHBondContact O-N 3.35Å; I70-K73 PolarHBondContact O-N 2.96Å; L71-K73 PolarHBondContact O-N 3.11Å; K73-L75 VanDerWaalsContact C-N 3.31Å; K73-L75 PolarHBondContact O-N 2.64Å; K73-T76 PolarHBondContact O-N 2.89Å; K73-T76 VanDerWaalsContact O-N 3.11Å; K73-T76 PolarHBondContact O-OG1 3Å; K73-N77 PolarHBondContact O-N 3.18Å; K73-I133 HydrophobicContact CD-CG2 3.89Å |
| 74 | A | 92.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.8 | -37.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | I70 L71 T76 N77 D82 F83 | I70-A74 WeakPolarHBondContact O-CB 3.09Å; I70-A74 PolarHBondContact O-N 3.03Å; L71-A74 WeakPolarHBondContact O-CB 3.27Å; L71-A74 PolarHBondContact O-N 2.96Å; A74-T76 VanDerWaalsContact C-N 3.29Å; A74-T76 PolarHBondContact O-N 2.98Å; A74-N77 PolarHBondContact O-N 3.01Å; A74-D82 HydrophobicContact CB-CB 4.26Å; A74-F83 HydrophobicContact CB-CB 4.21Å; A74-F83 HydrophobicContact CB-CD2 4.3Å |
| 75 | L | 91.3 | Very high | 89.2 | Confident | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.01 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62 | -34.7 | 171.9 | -68.7 | 176.9 | 0 | 0 | 0 | 112.9 | L71 L72 K73 N77 L78 F83 I104 G108 L111 F136 | L71-L75 PolarHBondContact O-N 3.36Å; L72-L75 HydrophobicContact CD2-CD1 4.44Å; L72-L75 WeakPolarHBondContact O-CB 3.37Å; L72-L75 PolarHBondContact O-N 2.92Å; K73-L75 VanDerWaalsContact C-N 3.31Å; K73-L75 PolarHBondContact O-N 2.64Å; L75-N77 PolarHBondContact O-N 3.28Å; L75-L78 HydrophobicContact CD2-CD1 4.16Å; L75-L78 PolarHBondContact O-N 3.46Å; L75-F83 HydrophobicContact CD1-CE2 4.08Å; L75-F83 HydrophobicContact CD2-CB 4.28Å; L75-F83 HydrophobicContact CD2-CD1 3.94Å; L75-F83 HydrophobicContact CD2-CD2 3.35Å; L75-F83 HydrophobicContact CD2-CE1 4.06Å; L75-F83 HydrophobicContact CD2-CE2 3.48Å; L75-F83 VanDerWaalsContact CD2-CE2 3.48Å; L75-F83 HydrophobicContact CD2-CG 3.58Å; L75-F83 HydrophobicContact CD2-CZ 3.83Å; L75-F83 HydrophobicContact CG-CD2 3.59Å; L75-F83 HydrophobicContact CG-CE2 3.61Å; L75-F83 HydrophobicContact CG-CG 4.3Å; L75-F83 HydrophobicContact CG-CZ 4.35Å; L75-I104 HydrophobicContact CD1-CG2 4.19Å; L75-G108 VanDerWaalsContact CD2-CA 3.47Å; L75-L111 HydrophobicContact CD2-CD1 4.36Å; L75-F136 HydrophobicContact CB-CE2 4.35Å |
| 76 | T | 90.3 | Very high | 89.1 | Confident | 17 Ų | 17 | 15.7 Ų | 15.7 | 10% | 0.104 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -12.4 | 175.3 | 68 | 0 | 0 | 0 | 0 | 113.9 | L72 K73 A74 F136 | L72-T76 WeakPolarHBondContact O-CG2 3.41Å; L72-T76 PolarHBondContact O-N 2.93Å; L72-T76 VanDerWaalsContact O-N 3.15Å; K73-T76 PolarHBondContact O-N 2.89Å; K73-T76 VanDerWaalsContact O-N 3.11Å; K73-T76 PolarHBondContact O-OG1 3Å; A74-T76 VanDerWaalsContact C-N 3.29Å; A74-T76 PolarHBondContact O-N 2.98Å; T76-F136 HydrophobicContact CG2-CB 4.4Å; T76-F136 HydrophobicContact CG2-CD2 3.39Å; T76-F136 HydrophobicContact CG2-CE2 3.95Å; T76-F136 HydrophobicContact CG2-CG 4.18Å |
| 77 | N | 88.2 | Confident | 88.8 | Confident | 50 Ų | 50 | 18.6 Ų | 18.6 | 27% | 0.267 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 7.5 | -179.7 | -150 | 44.4 | 0 | 0 | 0 | 113.4 | Y43 K73 A74 L75 H80 D82 | Y43-N77 HydrophobicContact CD1-CB 4.45Å; Y43-N77 HydrophobicContact CE1-CB 4.04Å; Y43-N77 VanDerWaalsContact CE1-ND2 3.27Å; Y43-N77 WeakPolarHBondContact CE1-ND2 3.12Å; K73-N77 PolarHBondContact O-N 3.18Å; A74-N77 PolarHBondContact O-N 3.01Å; L75-N77 PolarHBondContact O-N 3.28Å; N77-H80 WeakPolarHBondContact O-CB 3.39Å; N77-H80 PolarHBondContact O-CD2 3.36Å; N77-H80 VanDerWaalsContact O-CD2 3.26Å; N77-H80 PolarHBondContact O-N 3.01Å; N77-H80 VanDerWaalsContact O-N 3.17Å; N77-D82 PolarHBondContact ND2-OD2 3.04Å |
| 78 | L | 81.3 | Confident | 88.5 | Confident | 14 Ų | 14 | 22.8 Ų | 22.8 | 7% | 0.073 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 140.3 | 169.2 | -74 | 173.5 | 0 | 0 | 0 | 110.2 | L75 L111 F143 | L75-L78 HydrophobicContact CD2-CD1 4.16Å; L75-L78 PolarHBondContact O-N 3.46Å; L78-L111 HydrophobicContact CD1-CB 3.89Å; L78-L111 HydrophobicContact CD1-CD1 4.07Å; L78-F143 HydrophobicContact CB-CB 4.32Å; L78-F143 HydrophobicContact CB-CD1 4.2Å; L78-F143 HydrophobicContact CB-CD2 3.64Å; L78-F143 HydrophobicContact CB-CE1 4.45Å; L78-F143 HydrophobicContact CB-CE2 3.95Å; L78-F143 HydrophobicContact CB-CG 3.78Å; L78-F143 HydrophobicContact CB-CZ 4.34Å; L78-F143 HydrophobicContact CD1-CD1 4.17Å; L78-F143 HydrophobicContact CD1-CE1 4.03Å; L78-F143 HydrophobicContact CD1-CZ 4.33Å |
| 79 | P | 76.7 | Confident | 88.2 | Confident | 29 Ų | 29 | 22.8 Ų | 22.8 | 19% | 0.188 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -89.8 | 10.6 | 20 | 36.1 | -38.4 | 0 | 0 | 0 | 116.4 | F143 I203 E205 | P79-F143 HydrophobicContact CB-CD2 4.2Å; P79-F143 HydrophobicContact CB-CE2 3.91Å; P79-I203 WeakPolarHBondContact CB-O 3.42Å; P79-E205 PolarHBondContact O-N 3.09Å; P79-E205 VanDerWaalsContact O-N 3.11Å |
| 80 | H | 81.2 | Confident | 87.9 | Confident | 73 Ų | 73 | 21.7 Ų | 21.7 | 34% | 0.338 | 12% | 0.12 | S | C | . | . | S | Bend | trans | -66.2 | 156.4 | -179.6 | -65.9 | -61.2 | 0 | 0 | 0 | 113 | N77 D82 E205 | N77-H80 WeakPolarHBondContact O-CB 3.39Å; N77-H80 PolarHBondContact O-CD2 3.36Å; N77-H80 VanDerWaalsContact O-CD2 3.26Å; N77-H80 PolarHBondContact O-N 3.01Å; N77-H80 VanDerWaalsContact O-N 3.17Å; H80-D82 PolarHBondContact O-N 3.04Å; H80-D82 VanDerWaalsContact O-N 3.17Å; H80-E205 IonicContact CE1-OE1 3.67Å; H80-E205 PolarHBondContact CE1-OE1 3.41Å; H80-E205 IonicContact CE1-OE2 2.72Å; H80-E205 IonicContact CG-OE2 3.31Å; H80-E205 IonicContact ND1-OE1 3.18Å; H80-E205 PolarHBondContact ND1-OE1 3.47Å; H80-E205 IonicContact ND1-OE2 3.92Å; H80-E205 PolarHBondContact ND1-OE2 3.45Å |
| 81 | T | 81.1 | Confident | 87.5 | Confident | 15 Ų | 15 | 24.6 Ų | 24.6 | 9% | 0.092 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -0.2 | -175.7 | 63.2 | 0 | 0 | 0 | 0 | 115.3 | F83 T84 L85 E205 I207 | T81-F83 VanDerWaalsContact C-N 3.27Å; T81-F83 PolarHBondContact O-N 2.96Å; T81-T84 PolarHBondContact O-N 3.08Å; T81-L85 PolarHBondContact O-N 2.81Å; T81-E205 HydrophobicContact CG2-CB 3.54Å; T81-E205 WeakPolarHBondContact CG2-O 3.3Å; T81-I207 VanDerWaalsContact CB-CG1 3.43Å; T81-I207 HydrophobicContact CG2-CD1 4.42Å; T81-I207 HydrophobicContact CG2-CG1 3.46Å; T81-I207 VanDerWaalsContact CG2-CG1 3.46Å |
| 82 | D | 86.1 | Confident | 86.9 | Confident | 13 Ų | 13 | 30.9 Ų | 30.9 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -52 | -41.4 | -173.9 | -62.9 | 12.4 | 0 | 0 | 0 | 113.8 | Y43 L45 A74 N77 H80 T84 L85 C86 | Y43-D82 WeakPolarHBondContact CE1-OD2 3.39Å; Y43-D82 VanDerWaalsContact CZ-OD2 3.26Å; Y43-D82 VanDerWaalsContact OH-CB 3.27Å; Y43-D82 WeakPolarHBondContact OH-CB 3.18Å; Y43-D82 PolarHBondContact OH-OD2 3.28Å; L45-D82 HydrophobicContact CD1-CB 3.92Å; L45-D82 HydrophobicContact CD2-CB 4.42Å; L45-D82 WeakPolarHBondContact CD2-OD1 3.33Å; A74-D82 HydrophobicContact CB-CB 4.26Å; N77-D82 PolarHBondContact ND2-OD2 3.04Å; H80-D82 PolarHBondContact O-N 3.04Å; H80-D82 VanDerWaalsContact O-N 3.17Å; D82-T84 PolarHBondContact O-N 3.2Å; D82-L85 PolarHBondContact O-N 3.46Å; D82-C86 WeakPolarHBondContact O-CB 3.45Å; D82-C86 PolarHBondContact O-N 3.02Å; D82-C86 PolarHBondContact O-SG 3.2Å |
| 83 | F | 88.1 | Confident | 86.5 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.5 | -43.7 | -179.5 | -178.8 | -107.4 | 0 | 0 | 0 | 111.5 | L71 A74 L75 T81 C86 K87 L105 | L71-F83 HydrophobicContact CB-CE2 4.39Å; L71-F83 HydrophobicContact CD2-CD2 4.38Å; L71-F83 HydrophobicContact CD2-CE2 4.08Å; A74-F83 HydrophobicContact CB-CB 4.21Å; A74-F83 HydrophobicContact CB-CD2 4.3Å; L75-F83 HydrophobicContact CD1-CE2 4.08Å; L75-F83 HydrophobicContact CD2-CB 4.28Å; L75-F83 HydrophobicContact CD2-CD1 3.94Å; L75-F83 HydrophobicContact CD2-CD2 3.35Å; L75-F83 HydrophobicContact CD2-CE1 4.06Å; L75-F83 HydrophobicContact CD2-CE2 3.48Å; L75-F83 VanDerWaalsContact CD2-CE2 3.48Å; L75-F83 HydrophobicContact CD2-CG 3.58Å; L75-F83 HydrophobicContact CD2-CZ 3.83Å; L75-F83 HydrophobicContact CG-CD2 3.59Å; L75-F83 HydrophobicContact CG-CE2 3.61Å; L75-F83 HydrophobicContact CG-CG 4.3Å; L75-F83 HydrophobicContact CG-CZ 4.35Å; T81-F83 VanDerWaalsContact C-N 3.27Å; T81-F83 PolarHBondContact O-N 2.96Å; F83-C86 PolarHBondContact O-N 3.38Å; F83-K87 WeakPolarHBondContact O-CB 3.27Å; F83-K87 PolarHBondContact O-N 3.48Å; F83-L105 HydrophobicContact CZ-CD2 3.95Å |
| 84 | T | 86.9 | Confident | 86 | Confident | 44 Ų | 44 | 36.3 Ų | 36.3 | 27% | 0.27 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68 | -38.8 | 177.1 | -46.1 | 0 | 0 | 0 | 0 | 111.2 | T81 D82 K87 C88 E112 I207 | T81-T84 PolarHBondContact O-N 3.08Å; D82-T84 PolarHBondContact O-N 3.2Å; T84-K87 WeakPolarHBondContact O-CB 3.38Å; T84-K87 PolarHBondContact O-N 3.04Å; T84-C88 PolarHBondContact O-N 3.05Å; T84-C88 PolarHBondContact O-SG 3.45Å; T84-C88 VanDerWaalsContact O-SG 3.33Å; T84-E112 PolarHBondContact OG1-OE1 3.27Å; T84-I207 HydrophobicContact CG2-CD1 3.43Å; T84-I207 VanDerWaalsContact CG2-CD1 3.43Å |
| 85 | L | 86.8 | Confident | 85.4 | Confident | 15 Ų | 15 | 38.1 Ų | 38.1 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 174.3 | -66.9 | 178.2 | 0 | 0 | 0 | 111.7 | L49 T81 D82 K87 C88 M89 I207 I215 | L49-L85 HydrophobicContact CD2-CB 4.3Å; T81-L85 PolarHBondContact O-N 2.81Å; D82-L85 PolarHBondContact O-N 3.46Å; L85-K87 VanDerWaalsContact C-N 3.32Å; L85-K87 PolarHBondContact O-N 3.39Å; L85-C88 PolarHBondContact O-N 2.79Å; L85-M89 WeakPolarHBondContact O-CG 3.27Å; L85-M89 PolarHBondContact O-N 3.36Å; L85-I207 HydrophobicContact CD2-CD1 4.16Å; L85-I207 HydrophobicContact CG-CD1 4.44Å; L85-I215 HydrophobicContact CB-CD1 4.4Å; L85-I215 HydrophobicContact CD1-CD1 3.83Å; L85-I215 HydrophobicContact CD2-CD1 3.72Å; L85-I215 HydrophobicContact CG-CD1 4.19Å |
| 86 | C | 89.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 176.4 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | L52 I70 L71 D82 F83 C88 M89 | L52-C86 HydrophobicContact CD1-CB 3.76Å; I70-C86 HydrophobicContact CG2-CB 4.47Å; L71-C86 HydrophobicContact CD2-CB 3.95Å; D82-C86 WeakPolarHBondContact O-CB 3.45Å; D82-C86 PolarHBondContact O-N 3.02Å; D82-C86 PolarHBondContact O-SG 3.2Å; F83-C86 PolarHBondContact O-N 3.38Å; C86-C88 VanDerWaalsContact C-N 3.32Å; C86-C88 PolarHBondContact O-N 2.93Å; C86-M89 PolarHBondContact O-N 3.5Å; C86-M89 VanDerWaalsContact O-N 3.12Å |
| 87 | K | 87.8 | Confident | 84.2 | Confident | 69 Ų | 69 | 49.8 Ų | 49.8 | 30% | 0.3 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 175 | -176.7 | -178.9 | 179.5 | -178.2 | 0 | 111.7 | F83 T84 L85 M89 I90 Q95 L105 | F83-K87 WeakPolarHBondContact O-CB 3.27Å; F83-K87 PolarHBondContact O-N 3.48Å; T84-K87 WeakPolarHBondContact O-CB 3.38Å; T84-K87 PolarHBondContact O-N 3.04Å; L85-K87 VanDerWaalsContact C-N 3.32Å; L85-K87 PolarHBondContact O-N 3.39Å; K87-M89 PolarHBondContact O-N 3.21Å; K87-I90 PolarHBondContact O-N 3.35Å; K87-Q95 PolarHBondContact O-NE2 3.13Å; K87-L105 HydrophobicContact CB-CD2 4.4Å; K87-L105 HydrophobicContact CD-CD2 4.18Å; K87-L105 HydrophobicContact CG-CD2 3.98Å |
| 88 | C | 87.7 | Confident | 83.9 | Confident | 87 Ų | 87 | 49.6 Ų | 49.6 | 59% | 0.588 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.9 | -21.2 | 177.9 | -70.7 | 0 | 0 | 0 | 0 | 114.2 | T84 L85 C86 | T84-C88 PolarHBondContact O-N 3.05Å; T84-C88 PolarHBondContact O-SG 3.45Å; T84-C88 VanDerWaalsContact O-SG 3.33Å; L85-C88 PolarHBondContact O-N 2.79Å; C86-C88 VanDerWaalsContact C-N 3.32Å; C86-C88 PolarHBondContact O-N 2.93Å |
| 89 | M | 86.4 | Confident | 83.8 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -6.6 | 179.5 | -65 | -56.4 | -68.6 | 0 | 0 | 114 | L49 L52 K53 L85 C86 K87 I215 | L49-M89 HydrophobicContact CD2-CG 4.07Å; L52-M89 HydrophobicContact CB-CB 3.81Å; L52-M89 HydrophobicContact CD1-CB 4.07Å; K53-M89 HydrophobicContact CB-CE 3.61Å; K53-M89 HydrophobicContact CD-CE 4.02Å; K53-M89 HydrophobicContact CG-CE 3.79Å; L85-M89 WeakPolarHBondContact O-CG 3.27Å; L85-M89 PolarHBondContact O-N 3.36Å; C86-M89 PolarHBondContact O-N 3.5Å; C86-M89 VanDerWaalsContact O-N 3.12Å; K87-M89 PolarHBondContact O-N 3.21Å; M89-I215 HydrophobicContact CE-CG2 4.27Å; M89-I215 HydrophobicContact CG-CG2 4.38Å; M89-I215 HydrophobicContact SD-CG2 3.49Å; M89-I215 WeakPolarHBondContact SD-CG2 3.38Å |
| 90 | I | 88.2 | Confident | 84.3 | Confident | 10 Ų | 10 | 58.2 Ų | 58.2 | 5% | 0.051 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -103.2 | 127.8 | -179.9 | -59.2 | 166.8 | 0 | 0 | 0 | 108.8 | L52 T67 L71 K87 H94 Q95 | L52-I90 HydrophobicContact CD1-CG1 4.44Å; L52-I90 HydrophobicContact CD2-CD1 4.41Å; L52-I90 HydrophobicContact CD2-CG1 4.12Å; T67-I90 HydrophobicContact CG2-CD1 3.56Å; T67-I90 HydrophobicContact CG2-CG1 4.12Å; L71-I90 HydrophobicContact CD1-CD1 3.74Å; L71-I90 HydrophobicContact CD2-CD1 3.81Å; L71-I90 HydrophobicContact CG-CD1 3.94Å; K87-I90 PolarHBondContact O-N 3.35Å; I90-H94 HydrophobicContact CG2-CB 3.87Å; I90-Q95 HydrophobicContact CB-CG 4.19Å; I90-Q95 HydrophobicContact CG2-CG 3.81Å; I90-Q95 PolarHBondContact O-NE2 3.19Å |
| 91 | D | 85.5 | Confident | 84.8 | Confident | 62 Ų | 62 | 54.8 Ų | 54.8 | 33% | 0.332 | 27% | 0.271 | S | S | . | . | trans | -61.7 | 146.4 | 178.8 | -66.3 | -30.5 | 0 | 0 | 0 | 112.5 | T93 H94 Q95 | D91-T93 PolarHBondContact O-N 3.26Å; D91-T93 VanDerWaalsContact O-N 3.16Å; D91-H94 PolarHBondContact O-N 3.07Å; D91-Q95 WeakPolarHBondContact O-CG 3.41Å; D91-Q95 PolarHBondContact O-N 3.44Å; D91-Q95 VanDerWaalsContact O-N 3.09Å | ||
| 92 | Q | 82.4 | Confident | 85.2 | Confident | 132 Ų | 132 | 61.2 Ų | 61.2 | 62% | 0.617 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -58.8 | -32.7 | -174.3 | -168.6 | 170.5 | 7.7 | 0 | 0 | 113.5 | Q95 Q96 | Q92-Q95 PolarHBondContact O-N 2.8Å; Q92-Q96 HydrophobicContact CG-CG 4.4Å; Q92-Q96 VanDerWaalsContact NE2-NE2 3.19Å; Q92-Q96 WeakPolarHBondContact O-CG 3.4Å; Q92-Q96 PolarHBondContact O-N 3.2Å; Q92-Q96 VanDerWaalsContact O-N 3.1Å |
| 93 | T | 84.1 | Confident | 85.4 | Confident | 81 Ų | 81 | 62.2 Ų | 62.2 | 50% | 0.497 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -59.9 | -51.6 | 174.8 | -52.2 | 0 | 0 | 0 | 0 | 111 | D91 Q95 Q96 E97 | D91-T93 PolarHBondContact O-N 3.26Å; D91-T93 VanDerWaalsContact O-N 3.16Å; T93-Q95 VanDerWaalsContact C-N 3.28Å; T93-Q95 PolarHBondContact O-N 3.49Å; T93-Q96 PolarHBondContact O-N 3.05Å; T93-E97 HydrophobicContact CG2-CG 4.41Å; T93-E97 WeakPolarHBondContact O-CB 3.43Å; T93-E97 PolarHBondContact O-N 3.36Å |
| 94 | H | 82.6 | Confident | 85.6 | Confident | 38 Ų | 38 | 62.2 Ų | 62.2 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.7 | -34.1 | 177.8 | -59.7 | 113 | 0 | 0 | 0 | 111.8 | F62 I90 D91 Q96 E98 | F62-H94 AromaticContact CE1-CD2 3.98Å; F62-H94 HydrophobicContact CE2-CB 4.31Å; F62-H94 HydrophobicContact CZ-CB 4.02Å; F62-H94 AromaticContact CZ-CG 3.97Å; I90-H94 HydrophobicContact CG2-CB 3.87Å; D91-H94 PolarHBondContact O-N 3.07Å; H94-Q96 PolarHBondContact O-N 2.82Å; H94-E98 IonicContact CD2-OE1 3.32Å; H94-E98 PolarHBondContact CD2-OE1 2.8Å; H94-E98 VanDerWaalsContact CD2-OE1 3.32Å; H94-E98 WeakPolarHBondContact O-CB 3.44Å; H94-E98 PolarHBondContact O-N 2.74Å |
| 95 | Q | 81.4 | Confident | 85.9 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 18% | 0.178 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66.1 | -34 | 176.3 | -63.9 | -174.5 | 7.5 | 0 | 0 | 113.9 | K87 I90 D91 Q92 T93 L105 | K87-Q95 PolarHBondContact O-NE2 3.13Å; I90-Q95 HydrophobicContact CB-CG 4.19Å; I90-Q95 HydrophobicContact CG2-CG 3.81Å; I90-Q95 PolarHBondContact O-NE2 3.19Å; D91-Q95 WeakPolarHBondContact O-CG 3.41Å; D91-Q95 PolarHBondContact O-N 3.44Å; D91-Q95 VanDerWaalsContact O-N 3.09Å; Q92-Q95 PolarHBondContact O-N 2.8Å; T93-Q95 VanDerWaalsContact C-N 3.28Å; T93-Q95 PolarHBondContact O-N 3.49Å; Q95-L105 HydrophobicContact CB-CD1 3.71Å; Q95-L105 HydrophobicContact CG-CD1 3.85Å |
| 96 | Q | 77.6 | Confident | 86.1 | Confident | 110 Ų | 110 | 66.4 Ų | 66.4 | 51% | 0.514 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -97.4 | -35.8 | -171.6 | -68.4 | -175.7 | -0.6 | 0 | 0 | 113.2 | Q92 T93 H94 | Q92-Q96 HydrophobicContact CG-CG 4.4Å; Q92-Q96 VanDerWaalsContact NE2-NE2 3.19Å; Q92-Q96 WeakPolarHBondContact O-CG 3.4Å; Q92-Q96 PolarHBondContact O-N 3.2Å; Q92-Q96 VanDerWaalsContact O-N 3.1Å; T93-Q96 PolarHBondContact O-N 3.05Å; H94-Q96 PolarHBondContact O-N 2.82Å |
| 97 | E | 78.9 | Confident | 86.2 | Confident | 154 Ų | 154 | 66.5 Ų | 66.5 | 72% | 0.72 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -97.2 | -30.3 | -170.3 | -60.8 | -175 | 179.8 | 0 | 0 | 112.5 | T93 | T93-E97 HydrophobicContact CG2-CG 4.41Å; T93-E97 WeakPolarHBondContact O-CB 3.43Å; T93-E97 PolarHBondContact O-N 3.36Å |
| 98 | E | 81 | Confident | 86.4 | Confident | 46 Ų | 46 | 63.2 Ų | 63.2 | 22% | 0.215 | 30% | 0.296 | C | S | . | . | trans | -86 | 120.2 | -177.1 | -65.4 | -159.9 | 178.7 | 0 | 0 | 113.5 | F62 T64 H94 I101 R102 | F62-E98 VanDerWaalsContact CE1-OE2 3.25Å; F62-E98 WeakPolarHBondContact CE1-OE2 3.36Å; T64-E98 WeakPolarHBondContact CB-OE2 3.28Å; T64-E98 VanDerWaalsContact CG2-OE2 3.3Å; T64-E98 WeakPolarHBondContact CG2-OE2 3.18Å; T64-E98 PolarHBondContact OG1-OE2 3.24Å; H94-E98 IonicContact CD2-OE1 3.32Å; H94-E98 PolarHBondContact CD2-OE1 2.8Å; H94-E98 VanDerWaalsContact CD2-OE1 3.32Å; H94-E98 WeakPolarHBondContact O-CB 3.44Å; H94-E98 PolarHBondContact O-N 2.74Å; E98-I101 HydrophobicContact CB-CB 4.46Å; E98-I101 HydrophobicContact CB-CD1 4.2Å; E98-I101 HydrophobicContact CB-CG1 4.49Å; E98-I101 PolarHBondContact O-N 3.07Å; E98-I101 VanDerWaalsContact O-N 3.16Å; E98-I101 WeakPolarHBondContact OE2-CD1 3.48Å; E98-R102 PolarHBondContact O-N 3.07Å; E98-R102 VanDerWaalsContact O-N 3.08Å | ||
| 99 | R | 78.9 | Confident | 86.6 | Confident | 195 Ų | 195 | 62.7 Ų | 62.7 | 74% | 0.736 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 125.9 | 157 | -63.6 | -170.9 | 176.2 | -148.7 | 2.7 | 107.3 | ||
| 100 | P | 88.8 | Confident | 86.9 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 20% | 0.195 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -105.6 | 3.4 | 22.3 | 34.2 | -24.6 | 0 | 0 | 0 | 116.2 | T64 R102 Q103 I104 L129 | T64-P100 VanDerWaalsContact CG2-CD 3.42Å; P100-R102 VanDerWaalsContact C-N 3.29Å; P100-R102 PolarHBondContact O-N 2.91Å; P100-Q103 WeakPolarHBondContact O-CB 3.3Å; P100-Q103 PolarHBondContact O-N 3.26Å; P100-Q103 PolarHBondContact O-OE1 3.17Å; P100-I104 WeakPolarHBondContact O-CG1 3.34Å; P100-I104 PolarHBondContact O-N 2.94Å; P100-I104 VanDerWaalsContact O-N 3.14Å; P100-L129 HydrophobicContact CB-CD1 4.4Å; P100-L129 HydrophobicContact CB-CD2 3.24Å; P100-L129 HydrophobicContact CB-CG 4.45Å; P100-L129 HydrophobicContact CG-CD2 3.91Å |
| 101 | I | 89.8 | Confident | 87 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.8 | -45.2 | -175.5 | -65.1 | 176.4 | 0 | 0 | 0 | 111 | F62 T64 T67 L71 E98 Q103 I104 L105 | F62-I101 HydrophobicContact CE1-CD1 4.04Å; F62-I101 HydrophobicContact CZ-CD1 3.64Å; T64-I101 HydrophobicContact CG2-CD1 4.26Å; T64-I101 HydrophobicContact CG2-CG1 4.23Å; T67-I101 HydrophobicContact CG2-CD1 3.84Å; T67-I101 HydrophobicContact CG2-CG1 4.42Å; L71-I101 HydrophobicContact CD1-CG2 3.93Å; E98-I101 HydrophobicContact CB-CB 4.46Å; E98-I101 HydrophobicContact CB-CD1 4.2Å; E98-I101 HydrophobicContact CB-CG1 4.49Å; E98-I101 PolarHBondContact O-N 3.07Å; E98-I101 VanDerWaalsContact O-N 3.16Å; E98-I101 WeakPolarHBondContact OE2-CD1 3.48Å; I101-Q103 VanDerWaalsContact C-N 3.3Å; I101-Q103 PolarHBondContact O-N 3.09Å; I101-I104 PolarHBondContact O-N 3.48Å; I101-I104 VanDerWaalsContact O-N 3.16Å; I101-L105 HydrophobicContact CG2-CD1 4.05Å; I101-L105 HydrophobicContact CG2-CG 4.3Å; I101-L105 WeakPolarHBondContact O-CG 3.44Å; I101-L105 PolarHBondContact O-N 3.3Å |
| 102 | R | 90.7 | Very high | 87.1 | Confident | 150 Ų | 150 | 62.1 Ų | 62.1 | 57% | 0.566 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -57.3 | -41 | 178.1 | -178.4 | 177.2 | 167.5 | -175.3 | -3.1 | 113 | E98 P100 L105 Y106 | E98-R102 PolarHBondContact O-N 3.07Å; E98-R102 VanDerWaalsContact O-N 3.08Å; P100-R102 VanDerWaalsContact C-N 3.29Å; P100-R102 PolarHBondContact O-N 2.91Å; R102-L105 PolarHBondContact O-N 3.13Å; R102-Y106 PolarHBondContact O-N 3.27Å |
| 103 | Q | 90.7 | Very high | 87.3 | Confident | 35 Ų | 35 | 59 Ų | 59 | 16% | 0.164 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 178.4 | -70.5 | 90.8 | -37.1 | 0 | 0 | 111.2 | P100 I101 L105 Y106 L107 L129 | P100-Q103 WeakPolarHBondContact O-CB 3.3Å; P100-Q103 PolarHBondContact O-N 3.26Å; P100-Q103 PolarHBondContact O-OE1 3.17Å; I101-Q103 VanDerWaalsContact C-N 3.3Å; I101-Q103 PolarHBondContact O-N 3.09Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; Q103-L105 PolarHBondContact O-N 2.86Å; Q103-Y106 WeakPolarHBondContact O-CB 3.33Å; Q103-Y106 PolarHBondContact O-N 3.49Å; Q103-L107 WeakPolarHBondContact O-CG 3.49Å; Q103-L107 PolarHBondContact O-N 3.44Å; Q103-L129 HydrophobicContact CB-CD1 3.96Å |
| 104 | I | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -41 | 177.3 | -60.6 | 165.8 | 0 | 0 | 0 | 110.5 | S68 L71 L72 L75 P100 I101 Y106 L107 G108 L129 | S68-I104 VanDerWaalsContact CB-CD1 3.46Å; L71-I104 HydrophobicContact CB-CG2 3.68Å; L71-I104 HydrophobicContact CD1-CG2 4.36Å; L72-I104 HydrophobicContact CD1-CD1 3.93Å; L72-I104 HydrophobicContact CD1-CG1 4.37Å; L72-I104 HydrophobicContact CD2-CD1 4.49Å; L72-I104 HydrophobicContact CD2-CG1 4.13Å; L72-I104 HydrophobicContact CD2-CG2 3.89Å; L72-I104 HydrophobicContact CG-CD1 3.97Å; L72-I104 HydrophobicContact CG-CG1 4.15Å; L72-I104 HydrophobicContact CG-CG2 3.95Å; L75-I104 HydrophobicContact CD1-CG2 4.19Å; P100-I104 WeakPolarHBondContact O-CG1 3.34Å; P100-I104 PolarHBondContact O-N 2.94Å; P100-I104 VanDerWaalsContact O-N 3.14Å; I101-I104 PolarHBondContact O-N 3.48Å; I101-I104 VanDerWaalsContact O-N 3.16Å; I104-Y106 VanDerWaalsContact C-N 3.3Å; I104-Y106 PolarHBondContact O-N 3.3Å; I104-L107 PolarHBondContact O-N 3.22Å; I104-G108 PolarHBondContact O-N 3.25Å; I104-L129 HydrophobicContact CG1-CD1 4.06Å |
| 105 | L | 91.8 | Very high | 88 | Confident | 21 Ų | 21 | 60.4 Ų | 60.4 | 11% | 0.11 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.5 | -37.5 | 174.8 | -67.8 | 178 | 0 | 0 | 0 | 112.5 | L71 F83 K87 Q95 I101 R102 Q103 N109 | L71-L105 HydrophobicContact CD1-CD2 4.32Å; L71-L105 HydrophobicContact CD2-CD2 4.4Å; F83-L105 HydrophobicContact CZ-CD2 3.95Å; K87-L105 HydrophobicContact CB-CD2 4.4Å; K87-L105 HydrophobicContact CD-CD2 4.18Å; K87-L105 HydrophobicContact CG-CD2 3.98Å; Q95-L105 HydrophobicContact CB-CD1 3.71Å; Q95-L105 HydrophobicContact CG-CD1 3.85Å; I101-L105 HydrophobicContact CG2-CD1 4.05Å; I101-L105 HydrophobicContact CG2-CG 4.3Å; I101-L105 WeakPolarHBondContact O-CG 3.44Å; I101-L105 PolarHBondContact O-N 3.3Å; R102-L105 PolarHBondContact O-N 3.13Å; Q103-L105 VanDerWaalsContact C-N 3.33Å; Q103-L105 PolarHBondContact O-N 2.86Å; L105-N109 PolarHBondContact O-N 2.98Å |
| 106 | Y | 92.2 | Very high | 88.6 | Confident | 127 Ų | 127 | 59.1 Ų | 59.1 | 50% | 0.498 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -66.3 | -46.9 | 174.3 | 177.8 | -110.8 | 0 | 0 | 0 | 112 | R102 Q103 I104 G108 N109 L110 | R102-Y106 PolarHBondContact O-N 3.27Å; Q103-Y106 WeakPolarHBondContact O-CB 3.33Å; Q103-Y106 PolarHBondContact O-N 3.49Å; I104-Y106 VanDerWaalsContact C-N 3.3Å; I104-Y106 PolarHBondContact O-N 3.3Å; Y106-G108 VanDerWaalsContact C-N 3.29Å; Y106-G108 PolarHBondContact O-N 2.86Å; Y106-N109 WeakPolarHBondContact O-CB 3.41Å; Y106-N109 PolarHBondContact O-N 2.86Å; Y106-N109 VanDerWaalsContact O-N 3.16Å; Y106-L110 HydrophobicContact CD1-CD1 4.19Å; Y106-L110 HydrophobicContact CE1-CD1 3.66Å; Y106-L110 HydrophobicContact CE1-CG 4.33Å; Y106-L110 HydrophobicContact CE2-CD2 4.42Å; Y106-L110 HydrophobicContact CE2-CG 4.45Å; Y106-L110 PolarHBondContact O-N 3.06Å; Y106-L110 VanDerWaalsContact O-N 3.09Å |
| 107 | L | 92.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.7 | -42.7 | 174.7 | -70.6 | 174.9 | 0 | 0 | 0 | 111.7 | Q103 I104 N109 L110 L111 F119 L123 | Q103-L107 WeakPolarHBondContact O-CG 3.49Å; Q103-L107 PolarHBondContact O-N 3.44Å; I104-L107 PolarHBondContact O-N 3.22Å; L107-N109 PolarHBondContact O-N 3.39Å; L107-L110 PolarHBondContact O-N 3.11Å; L107-L111 PolarHBondContact O-N 3.15Å; L107-L111 VanDerWaalsContact O-N 3.16Å; L107-F119 HydrophobicContact CB-CD2 4.17Å; L107-F119 HydrophobicContact CB-CE2 4.01Å; L107-F119 HydrophobicContact CD2-CD2 3.98Å; L107-F119 HydrophobicContact CD2-CE2 4.19Å; L107-L123 HydrophobicContact CD1-CD1 4.18Å |
| 108 | G | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -41.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L75 I104 Y106 L110 L111 E112 | L75-G108 VanDerWaalsContact CD2-CA 3.47Å; I104-G108 PolarHBondContact O-N 3.25Å; Y106-G108 VanDerWaalsContact C-N 3.29Å; Y106-G108 PolarHBondContact O-N 2.86Å; G108-L110 VanDerWaalsContact C-N 3.33Å; G108-L110 PolarHBondContact O-N 3.46Å; G108-L111 PolarHBondContact O-N 3.35Å; G108-E112 WeakPolarHBondContact O-CG 3.49Å; G108-E112 PolarHBondContact O-N 3.23Å |
| 109 | N | 91.2 | Very high | 90.6 | Very high | 76 Ų | 76 | 51.4 Ų | 51.4 | 41% | 0.406 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 175.4 | -172.4 | -31.9 | 0 | 0 | 0 | 111.8 | L105 Y106 L107 L111 E112 T113 | L105-N109 PolarHBondContact O-N 2.98Å; Y106-N109 WeakPolarHBondContact O-CB 3.41Å; Y106-N109 PolarHBondContact O-N 2.86Å; Y106-N109 VanDerWaalsContact O-N 3.16Å; L107-N109 PolarHBondContact O-N 3.39Å; N109-L111 VanDerWaalsContact C-N 3.3Å; N109-L111 PolarHBondContact O-N 2.94Å; N109-E112 PolarHBondContact O-N 3.01Å; N109-T113 WeakPolarHBondContact O-CB 3.5Å; N109-T113 WeakPolarHBondContact O-CG2 3.43Å; N109-T113 PolarHBondContact O-N 3.31Å; N109-T113 PolarHBondContact O-OG1 3.34Å; N109-T113 WeakPolarHBondContact OD1-CG2 3.29Å |
| 110 | L | 92.8 | Very high | 91.3 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 7% | 0.068 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.1 | -39 | 175.6 | -65.8 | 174.4 | 0 | 0 | 0 | 111.9 | Y106 L107 G108 T113 C114 H115 F119 | Y106-L110 HydrophobicContact CD1-CD1 4.19Å; Y106-L110 HydrophobicContact CE1-CD1 3.66Å; Y106-L110 HydrophobicContact CE1-CG 4.33Å; Y106-L110 HydrophobicContact CE2-CD2 4.42Å; Y106-L110 HydrophobicContact CE2-CG 4.45Å; Y106-L110 PolarHBondContact O-N 3.06Å; Y106-L110 VanDerWaalsContact O-N 3.09Å; L107-L110 PolarHBondContact O-N 3.11Å; G108-L110 VanDerWaalsContact C-N 3.33Å; G108-L110 PolarHBondContact O-N 3.46Å; L110-T113 PolarHBondContact O-OG1 3.5Å; L110-C114 PolarHBondContact O-N 2.9Å; L110-C114 VanDerWaalsContact O-N 3.08Å; L110-H115 HydrophobicContact CB-CB 4.44Å; L110-H115 HydrophobicContact CD2-CB 3.88Å; L110-H115 PolarHBondContact O-N 3.46Å; L110-F119 HydrophobicContact CB-CB 4.01Å; L110-F119 HydrophobicContact CD1-CB 4.37Å |
| 111 | L | 90.8 | Very high | 91.5 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69 | -44.6 | 174.7 | -68.8 | -179.2 | 0 | 0 | 0 | 112.5 | L75 L78 L107 G108 N109 T113 C114 F116 F119 V140 F143 | L75-L111 HydrophobicContact CD2-CD1 4.36Å; L78-L111 HydrophobicContact CD1-CB 3.89Å; L78-L111 HydrophobicContact CD1-CD1 4.07Å; L107-L111 PolarHBondContact O-N 3.15Å; L107-L111 VanDerWaalsContact O-N 3.16Å; G108-L111 PolarHBondContact O-N 3.35Å; N109-L111 VanDerWaalsContact C-N 3.3Å; N109-L111 PolarHBondContact O-N 2.94Å; L111-T113 VanDerWaalsContact C-N 3.27Å; L111-T113 PolarHBondContact O-N 3.35Å; L111-C114 PolarHBondContact O-N 2.94Å; L111-C114 VanDerWaalsContact O-N 3.12Å; L111-F116 HydrophobicContact CD2-CD1 4.07Å; L111-F116 HydrophobicContact CD2-CE1 4.31Å; L111-F119 HydrophobicContact CD1-CD2 4.03Å; L111-F119 HydrophobicContact CD1-CE2 3.55Å; L111-F119 HydrophobicContact CD1-CZ 3.93Å; L111-F119 HydrophobicContact CD2-CB 4.24Å; L111-F119 HydrophobicContact CD2-CD1 3.9Å; L111-F119 HydrophobicContact CD2-CD2 3.65Å; L111-F119 HydrophobicContact CD2-CE1 4.17Å; L111-F119 HydrophobicContact CD2-CE2 3.9Å; L111-F119 HydrophobicContact CD2-CG 3.64Å; L111-F119 HydrophobicContact CD2-CZ 4.15Å; L111-F119 HydrophobicContact CG-CD2 3.52Å; L111-F119 HydrophobicContact CG-CE2 3.61Å; L111-F119 HydrophobicContact CG-CG 4.06Å; L111-F119 HydrophobicContact CG-CZ 4.24Å; L111-V140 HydrophobicContact CD1-CG1 4.24Å; L111-V140 HydrophobicContact CD1-CG2 4.23Å; L111-V140 HydrophobicContact CD2-CG1 3.81Å; L111-F143 HydrophobicContact CB-CE1 4.31Å |
| 112 | E | 87 | Confident | 91.7 | Very high | 57 Ų | 57 | 46.6 Ų | 46.6 | 27% | 0.266 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.1 | -36.7 | 177 | -72.7 | 176.7 | 153.6 | 0 | 0 | 112 | T84 G108 N109 C114 | T84-E112 PolarHBondContact OG1-OE1 3.27Å; G108-E112 WeakPolarHBondContact O-CG 3.49Å; G108-E112 PolarHBondContact O-N 3.23Å; N109-E112 PolarHBondContact O-N 3.01Å; E112-C114 VanDerWaalsContact C-N 3.33Å |
| 113 | T | 88 | Confident | 91.7 | Very high | 66 Ų | 66 | 39.6 Ų | 39.6 | 41% | 0.405 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 5.5 | 177.8 | 58.3 | 0 | 0 | 0 | 0 | 113.8 | N109 L110 L111 H115 | N109-T113 WeakPolarHBondContact O-CB 3.5Å; N109-T113 WeakPolarHBondContact O-CG2 3.43Å; N109-T113 PolarHBondContact O-N 3.31Å; N109-T113 PolarHBondContact O-OG1 3.34Å; N109-T113 WeakPolarHBondContact OD1-CG2 3.29Å; L110-T113 PolarHBondContact O-OG1 3.5Å; L111-T113 VanDerWaalsContact C-N 3.27Å; L111-T113 PolarHBondContact O-N 3.35Å; T113-H115 VanDerWaalsContact CB-ND1 3.34Å; T113-H115 WeakPolarHBondContact CB-ND1 3.47Å; T113-H115 PolarHBondContact O-N 3.38Å; T113-H115 PolarHBondContact O-ND1 3.05Å; T113-H115 PolarHBondContact OG1-ND1 3.33Å |
| 114 | C | 89.3 | Confident | 91.7 | Very high | 45 Ų | 45 | 45 Ų | 45 | 30% | 0.304 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 25 | 178.7 | -56.7 | 0 | 0 | 0 | 0 | 115.4 | L110 L111 E112 F116 | L110-C114 PolarHBondContact O-N 2.9Å; L110-C114 VanDerWaalsContact O-N 3.08Å; L111-C114 PolarHBondContact O-N 2.94Å; L111-C114 VanDerWaalsContact O-N 3.12Å; E112-C114 VanDerWaalsContact C-N 3.33Å; C114-F116 HydrophobicContact CB-CE1 4.26Å; C114-F116 HydrophobicContact CB-CE2 3.99Å; C114-F116 HydrophobicContact CB-CZ 3.73Å; C114-F116 PolarHBondContact O-N 3.38Å |
| 115 | H | 92 | Very high | 91.5 | Very high | 104 Ų | 104 | 52.1 Ų | 52.1 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | trans | -82.1 | 65.8 | 173.2 | -67.5 | 89.1 | 0 | 0 | 0 | 110.8 | L110 T113 Q117 S118 F119 | L110-H115 HydrophobicContact CB-CB 4.44Å; L110-H115 HydrophobicContact CD2-CB 3.88Å; L110-H115 PolarHBondContact O-N 3.46Å; T113-H115 VanDerWaalsContact CB-ND1 3.34Å; T113-H115 WeakPolarHBondContact CB-ND1 3.47Å; T113-H115 PolarHBondContact O-N 3.38Å; T113-H115 PolarHBondContact O-ND1 3.05Å; T113-H115 PolarHBondContact OG1-ND1 3.33Å; H115-Q117 PolarHBondContact O-N 3.26Å; H115-S118 PolarHBondContact O-N 3.12Å; H115-F119 PolarHBondContact O-N 3.08Å | ||
| 116 | F | 92.8 | Very high | 91.4 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65 | -39.9 | -170.3 | -56.1 | -49 | 0 | 0 | 0 | 114.2 | L111 C114 F119 W120 F143 I144 V147 M163 | L111-F116 HydrophobicContact CD2-CD1 4.07Å; L111-F116 HydrophobicContact CD2-CE1 4.31Å; C114-F116 HydrophobicContact CB-CE1 4.26Å; C114-F116 HydrophobicContact CB-CE2 3.99Å; C114-F116 HydrophobicContact CB-CZ 3.73Å; C114-F116 PolarHBondContact O-N 3.38Å; F116-F119 WeakPolarHBondContact O-CB 3.45Å; F116-F119 PolarHBondContact O-N 2.89Å; F116-W120 PolarHBondContact O-N 3.48Å; F116-F143 HydrophobicContact CE1-CD1 4.47Å; F116-F143 HydrophobicContact CE1-CE1 4.1Å; F116-I144 HydrophobicContact CB-CD1 4.12Å; F116-I144 HydrophobicContact CD1-CD1 3.75Å; F116-I144 HydrophobicContact CD1-CG1 3.58Å; F116-I144 HydrophobicContact CD2-CG1 4.38Å; F116-I144 HydrophobicContact CD2-CG2 3.91Å; F116-I144 HydrophobicContact CE1-CD1 4.34Å; F116-I144 HydrophobicContact CE1-CG1 3.66Å; F116-I144 HydrophobicContact CE2-CG1 4.43Å; F116-I144 HydrophobicContact CE2-CG2 3.99Å; F116-I144 HydrophobicContact CG-CD1 3.92Å; F116-I144 HydrophobicContact CG-CG1 3.97Å; F116-I144 HydrophobicContact CG-CG2 4.23Å; F116-I144 HydrophobicContact CZ-CG1 4.09Å; F116-I144 HydrophobicContact CZ-CG2 4.39Å; F116-V147 HydrophobicContact CE2-CG1 4.41Å; F116-V147 HydrophobicContact CZ-CB 4.2Å; F116-V147 HydrophobicContact CZ-CG1 4.22Å; F116-V147 HydrophobicContact CZ-CG2 4.2Å; F116-M163 HydrophobicContact CB-CB 4.48Å; F116-M163 HydrophobicContact CD2-CB 4.34Å; F116-M163 HydrophobicContact CD2-CG 4.24Å; F116-M163 HydrophobicContact CD2-SD 4.42Å |
| 117 | Q | 91.6 | Very high | 91.1 | Very high | 90 Ų | 90 | 53.7 Ų | 53.7 | 42% | 0.421 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -61.1 | -49.5 | 178.3 | -64.4 | -179.5 | 0.1 | 0 | 0 | 111.1 | H115 F119 W120 T121 E162 | H115-Q117 PolarHBondContact O-N 3.26Å; Q117-F119 VanDerWaalsContact C-N 3.27Å; Q117-F119 PolarHBondContact O-N 2.91Å; Q117-W120 PolarHBondContact O-N 3.43Å; Q117-T121 PolarHBondContact O-N 2.83Å; Q117-T121 VanDerWaalsContact O-N 3.13Å; Q117-T121 PolarHBondContact O-OG1 2.84Å; Q117-E162 HydrophobicContact CG-CB 4.31Å; Q117-E162 PolarHBondContact NE2-OE2 3.16Å |
| 118 | S | 93.2 | Very high | 91 | Very high | 57 Ų | 57 | 61.3 Ų | 61.3 | 40% | 0.399 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 175.9 | -54 | 0 | 0 | 0 | 0 | 112.1 | H115 T121 S122 | H115-S118 PolarHBondContact O-N 3.12Å; S118-T121 PolarHBondContact O-N 3.24Å; S118-S122 WeakPolarHBondContact O-CB 3.37Å; S118-S122 PolarHBondContact O-N 3.27Å; S118-S122 PolarHBondContact O-OG 3.32Å |
| 119 | F | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.1 | -49 | 174.9 | 168.4 | -90.7 | 0 | 0 | 0 | 111.6 | L107 L110 L111 H115 F116 Q117 T121 S122 L123 F136 V140 | L107-F119 HydrophobicContact CB-CD2 4.17Å; L107-F119 HydrophobicContact CB-CE2 4.01Å; L107-F119 HydrophobicContact CD2-CD2 3.98Å; L107-F119 HydrophobicContact CD2-CE2 4.19Å; L110-F119 HydrophobicContact CB-CB 4.01Å; L110-F119 HydrophobicContact CD1-CB 4.37Å; L111-F119 HydrophobicContact CD1-CD2 4.03Å; L111-F119 HydrophobicContact CD1-CE2 3.55Å; L111-F119 HydrophobicContact CD1-CZ 3.93Å; L111-F119 HydrophobicContact CD2-CB 4.24Å; L111-F119 HydrophobicContact CD2-CD1 3.9Å; L111-F119 HydrophobicContact CD2-CD2 3.65Å; L111-F119 HydrophobicContact CD2-CE1 4.17Å; L111-F119 HydrophobicContact CD2-CE2 3.9Å; L111-F119 HydrophobicContact CD2-CG 3.64Å; L111-F119 HydrophobicContact CD2-CZ 4.15Å; L111-F119 HydrophobicContact CG-CD2 3.52Å; L111-F119 HydrophobicContact CG-CE2 3.61Å; L111-F119 HydrophobicContact CG-CG 4.06Å; L111-F119 HydrophobicContact CG-CZ 4.24Å; H115-F119 PolarHBondContact O-N 3.08Å; F116-F119 WeakPolarHBondContact O-CB 3.45Å; F116-F119 PolarHBondContact O-N 2.89Å; Q117-F119 VanDerWaalsContact C-N 3.27Å; Q117-F119 PolarHBondContact O-N 2.91Å; F119-T121 PolarHBondContact O-N 2.99Å; F119-S122 PolarHBondContact O-N 3.19Å; F119-L123 HydrophobicContact CE1-CD2 3.91Å; F119-L123 HydrophobicContact CZ-CD2 4.06Å; F119-L123 VanDerWaalsContact O-CB 3.24Å; F119-L123 WeakPolarHBondContact O-CB 3.46Å; F119-L123 PolarHBondContact O-N 3.01Å; F119-F136 HydrophobicContact CZ-CE1 4.02Å; F119-F136 HydrophobicContact CZ-CZ 4.32Å; F119-V140 HydrophobicContact CD1-CG1 4.32Å; F119-V140 HydrophobicContact CE1-CB 4.48Å; F119-V140 HydrophobicContact CE1-CG1 3.65Å; F119-V140 HydrophobicContact CE1-CG2 4.44Å; F119-V140 HydrophobicContact CZ-CG1 3.99Å; F119-V140 HydrophobicContact CZ-CG2 4.06Å |
| 120 | W | 94.3 | Very high | 90.6 | Very high | 28 Ų | 28 | 59.8 Ų | 59.8 | 11% | 0.106 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.3 | -41.7 | -179.5 | -68.1 | 116.2 | 0 | 0 | 0 | 112.3 | F116 Q117 L123 E124 E137 V140 R141 I144 M163 | F116-W120 PolarHBondContact O-N 3.48Å; Q117-W120 PolarHBondContact O-N 3.43Å; W120-L123 HydrophobicContact CE3-CD2 3.84Å; W120-L123 HydrophobicContact CZ3-CD2 3.76Å; W120-L123 PolarHBondContact O-N 3.4Å; W120-E124 PolarHBondContact O-N 3.39Å; W120-E137 HydrophobicContact CH2-CB 4.15Å; W120-E137 HydrophobicContact CZ3-CB 4.19Å; W120-E137 HydrophobicContact CZ3-CG 4.11Å; W120-V140 HydrophobicContact CH2-CB 4.37Å; W120-V140 HydrophobicContact CH2-CG1 4.21Å; W120-V140 HydrophobicContact CZ2-CG1 4.05Å; W120-R141 HydrophobicContact CH2-CG 4Å; W120-R141 HydrophobicContact CZ2-CG 3.83Å; W120-I144 HydrophobicContact CZ2-CD1 3.92Å; W120-M163 PolarHBondContact NE1-O 3.47Å |
| 121 | T | 93.2 | Very high | 90.3 | Very high | 80 Ų | 80 | 65.7 Ų | 65.7 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 175.1 | -52.9 | 0 | 0 | 0 | 0 | 111.7 | Q117 S118 F119 L123 E124 E125 | Q117-T121 PolarHBondContact O-N 2.83Å; Q117-T121 VanDerWaalsContact O-N 3.13Å; Q117-T121 PolarHBondContact O-OG1 2.84Å; S118-T121 PolarHBondContact O-N 3.24Å; F119-T121 PolarHBondContact O-N 2.99Å; T121-L123 VanDerWaalsContact C-N 3.28Å; T121-L123 PolarHBondContact O-N 3.41Å; T121-E124 PolarHBondContact O-N 2.87Å; T121-E125 PolarHBondContact O-N 3.18Å |
| 122 | S | 92.4 | Very high | 90 | Very high | 17 Ų | 17 | 67.6 Ų | 67.6 | 12% | 0.119 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.6 | -31.5 | 176.8 | -66.7 | 0 | 0 | 0 | 0 | 112.6 | S118 F119 N126 | S118-S122 WeakPolarHBondContact O-CB 3.37Å; S118-S122 PolarHBondContact O-N 3.27Å; S118-S122 PolarHBondContact O-OG 3.32Å; F119-S122 PolarHBondContact O-N 3.19Å; S122-N126 PolarHBondContact O-N 2.81Å; S122-N126 PolarHBondContact O-ND2 3.03Å |
| 123 | L | 91.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.6 | -40.4 | 175.3 | -176.2 | 65.7 | 0 | 0 | 0 | 111.2 | L107 F119 W120 T121 E125 N126 R127 I130 F136 | L107-L123 HydrophobicContact CD1-CD1 4.18Å; F119-L123 HydrophobicContact CE1-CD2 3.91Å; F119-L123 HydrophobicContact CZ-CD2 4.06Å; F119-L123 VanDerWaalsContact O-CB 3.24Å; F119-L123 WeakPolarHBondContact O-CB 3.46Å; F119-L123 PolarHBondContact O-N 3.01Å; W120-L123 HydrophobicContact CE3-CD2 3.84Å; W120-L123 HydrophobicContact CZ3-CD2 3.76Å; W120-L123 PolarHBondContact O-N 3.4Å; T121-L123 VanDerWaalsContact C-N 3.28Å; T121-L123 PolarHBondContact O-N 3.41Å; L123-E125 VanDerWaalsContact C-N 3.32Å; L123-E125 PolarHBondContact O-N 3.49Å; L123-N126 CarbonylContact O-C 3.6Å; L123-N126 PolarHBondContact O-N 3.14Å; L123-R127 PolarHBondContact O-N 3.44Å; L123-I130 HydrophobicContact CD1-CD1 4.27Å; L123-I130 HydrophobicContact CD1-CG2 3.73Å; L123-I130 HydrophobicContact CD2-CD1 4.41Å; L123-I130 HydrophobicContact CG-CD1 4.45Å; L123-F136 HydrophobicContact CD1-CE1 4.1Å; L123-F136 HydrophobicContact CD2-CE1 4.12Å |
| 124 | E | 90 | Very high | 90.3 | Very high | 148 Ų | 148 | 65.9 Ų | 65.9 | 69% | 0.692 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -60.4 | -41.3 | 177.4 | -170.9 | 172.8 | -168.3 | 0 | 0 | 111.9 | W120 T121 N126 R127 | W120-E124 PolarHBondContact O-N 3.39Å; T121-E124 PolarHBondContact O-N 2.87Å; E124-N126 PolarHBondContact O-N 3.05Å; E124-R127 WeakPolarHBondContact O-CG 3.46Å |
| 125 | E | 89.5 | Confident | 90.3 | Very high | 149 Ų | 149 | 65 Ų | 65 | 70% | 0.696 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.2 | -24.4 | 174.4 | -67 | 179.8 | 163.9 | 0 | 0 | 113.3 | T121 L123 | T121-E125 PolarHBondContact O-N 3.18Å; L123-E125 VanDerWaalsContact C-N 3.32Å; L123-E125 PolarHBondContact O-N 3.49Å |
| 126 | N | 88.8 | Confident | 90.3 | Very high | 32 Ų | 32 | 60.2 Ų | 60.2 | 17% | 0.171 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | 34.4 | -174.1 | -62 | -88.5 | 0 | 0 | 0 | 112.1 | S122 L123 E124 E128 L129 | S122-N126 PolarHBondContact O-N 2.81Å; S122-N126 PolarHBondContact O-ND2 3.03Å; L123-N126 CarbonylContact O-C 3.6Å; L123-N126 PolarHBondContact O-N 3.14Å; E124-N126 PolarHBondContact O-N 3.05Å; N126-E128 PolarHBondContact O-N 3.43Å; N126-E128 VanDerWaalsContact O-N 3.08Å; N126-L129 HydrophobicContact CB-CD1 3.67Å; N126-L129 HydrophobicContact CB-CG 3.95Å; N126-L129 WeakPolarHBondContact O-CB 3.31Å; N126-L129 WeakPolarHBondContact O-CG 3.48Å; N126-L129 PolarHBondContact O-N 3.44Å |
| 127 | R | 87 | Confident | 90.3 | Very high | 150 Ų | 150 | 62.2 Ų | 62.2 | 57% | 0.566 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -56.2 | -27.5 | -176.5 | -75.4 | -99 | -83 | -175 | -6.2 | 114.3 | L123 E124 L129 I130 E137 | L123-R127 PolarHBondContact O-N 3.44Å; E124-R127 WeakPolarHBondContact O-CG 3.46Å; R127-L129 PolarHBondContact O-N 3.47Å; R127-I130 WeakPolarHBondContact O-CG1 3.27Å; R127-I130 PolarHBondContact O-N 3.36Å; R127-E137 IonicContact NH1-OE1 3.76Å; R127-E137 PolarHBondContact NH1-OE1 2.82Å |
| 128 | E | 89 | Confident | 90.3 | Very high | 160 Ų | 160 | 61.7 Ų | 61.7 | 75% | 0.748 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -61.5 | -25.5 | 175.7 | 61.6 | -177.4 | -176.4 | 0 | 0 | 113.4 | N126 I130 D131 | N126-E128 PolarHBondContact O-N 3.43Å; N126-E128 VanDerWaalsContact O-N 3.08Å; E128-I130 VanDerWaalsContact C-N 3.33Å; E128-I130 PolarHBondContact O-N 3.14Å; E128-D131 WeakPolarHBondContact O-CB 3.46Å; E128-D131 PolarHBondContact O-N 3.22Å |
| 129 | L | 85.6 | Confident | 90.2 | Very high | 24 Ų | 24 | 59.6 Ų | 59.6 | 13% | 0.126 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -69.1 | -33.2 | -177.9 | -59.9 | -173.7 | 0 | 0 | 0 | 112.9 | L72 P100 Q103 I104 N126 R127 D131 | L72-L129 HydrophobicContact CD1-CB 4.44Å; L72-L129 WeakPolarHBondContact CD1-O 3.47Å; P100-L129 HydrophobicContact CB-CD1 4.4Å; P100-L129 HydrophobicContact CB-CD2 3.24Å; P100-L129 HydrophobicContact CB-CG 4.45Å; P100-L129 HydrophobicContact CG-CD2 3.91Å; Q103-L129 HydrophobicContact CB-CD1 3.96Å; I104-L129 HydrophobicContact CG1-CD1 4.06Å; N126-L129 HydrophobicContact CB-CD1 3.67Å; N126-L129 HydrophobicContact CB-CG 3.95Å; N126-L129 WeakPolarHBondContact O-CB 3.31Å; N126-L129 WeakPolarHBondContact O-CG 3.48Å; N126-L129 PolarHBondContact O-N 3.44Å; R127-L129 PolarHBondContact O-N 3.47Å; L129-D131 VanDerWaalsContact C-N 3.33Å |
| 130 | I | 88.2 | Confident | 90.1 | Very high | 20 Ų | 20 | 59.6 Ų | 59.6 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -91.4 | 0.3 | -178.2 | 59.3 | 165.8 | 0 | 0 | 0 | 112.6 | L72 L123 R127 E128 G132 I133 F136 E137 | L72-I130 HydrophobicContact CD2-CG2 4.31Å; L123-I130 HydrophobicContact CD1-CD1 4.27Å; L123-I130 HydrophobicContact CD1-CG2 3.73Å; L123-I130 HydrophobicContact CD2-CD1 4.41Å; L123-I130 HydrophobicContact CG-CD1 4.45Å; R127-I130 WeakPolarHBondContact O-CG1 3.27Å; R127-I130 PolarHBondContact O-N 3.36Å; E128-I130 VanDerWaalsContact C-N 3.33Å; E128-I130 PolarHBondContact O-N 3.14Å; I130-G132 PolarHBondContact O-N 3.4Å; I130-I133 PolarHBondContact O-N 2.88Å; I130-I133 VanDerWaalsContact O-N 3.09Å; I130-F136 HydrophobicContact CB-CD1 4.29Å; I130-F136 HydrophobicContact CB-CG 4.41Å; I130-F136 HydrophobicContact CD1-CD1 4.49Å; I130-F136 HydrophobicContact CG2-CD1 3.56Å; I130-F136 HydrophobicContact CG2-CD2 4.28Å; I130-F136 HydrophobicContact CG2-CE1 3.65Å; I130-F136 HydrophobicContact CG2-CE2 4.37Å; I130-F136 HydrophobicContact CG2-CG 3.89Å; I130-F136 HydrophobicContact CG2-CZ 4.08Å; I130-E137 HydrophobicContact CD1-CG 4.48Å |
| 131 | D | 86.9 | Confident | 90 | Very high | 137 Ų | 137 | 59.1 Ų | 59.1 | 73% | 0.733 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 132.7 | 178.3 | -165.3 | 17.8 | 0 | 0 | 0 | 110.5 | E128 L129 I133 | E128-D131 WeakPolarHBondContact O-CB 3.46Å; E128-D131 PolarHBondContact O-N 3.22Å; L129-D131 VanDerWaalsContact C-N 3.33Å; D131-I133 VanDerWaalsContact C-N 3.32Å; D131-I133 PolarHBondContact O-N 3.2Å |
| 132 | G | 84.6 | Confident | 90 | Very high | 41 Ų | 41 | 59.3 Ų | 59.3 | 42% | 0.423 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 0.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | A38 I130 | A38-G132 CarbonylContact C-O 3.51Å; I130-G132 PolarHBondContact O-N 3.4Å |
| 133 | I | 91.2 | Very high | 89.9 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 7% | 0.067 | 30% | 0.3 | C | S | . | . | trans | -99 | 103.3 | 172.4 | -53 | -176.2 | 0 | 0 | 0 | 110.3 | A38 L72 K73 I130 D131 G135 F136 | A38-I133 HydrophobicContact CB-CG1 4.31Å; L72-I133 HydrophobicContact CB-CD1 3.29Å; L72-I133 HydrophobicContact CD1-CD1 3.45Å; L72-I133 VanDerWaalsContact CD1-CD1 3.45Å; L72-I133 HydrophobicContact CG-CD1 3.97Å; K73-I133 HydrophobicContact CD-CG2 3.89Å; I130-I133 PolarHBondContact O-N 2.88Å; I130-I133 VanDerWaalsContact O-N 3.09Å; D131-I133 VanDerWaalsContact C-N 3.32Å; D131-I133 PolarHBondContact O-N 3.2Å; I133-G135 PolarHBondContact O-N 3.04Å; I133-F136 HydrophobicContact CB-CB 4.38Å; I133-F136 HydrophobicContact CG2-CB 4Å; I133-F136 HydrophobicContact CG2-CD2 4.26Å | ||
| 134 | T | 90.8 | Very high | 89.8 | Confident | 74 Ų | 74 | 58.6 Ų | 58.6 | 45% | 0.454 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 125.4 | -178 | -56.8 | 0 | 0 | 0 | 0 | 111 | A38 R39 N41 | A38-T134 PolarHBondContact O-N 2.65Å; R39-T134 WeakPolarHBondContact O-CB 3.43Å; R39-T134 PolarHBondContact O-OG1 3.39Å; N41-T134 HydrophobicContact CB-CG2 4.4Å; N41-T134 WeakPolarHBondContact CB-O 3.49Å; N41-T134 VanDerWaalsContact CG-O 3.25Å; N41-T134 PolarHBondContact OD1-O 3.11Å |
| 135 | G | 89.8 | Confident | 89.9 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 27% | 0.268 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | 18.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | I133 S139 | I133-G135 PolarHBondContact O-N 3.04Å; G135-S139 WeakPolarHBondContact O-CB 3.43Å; G135-S139 PolarHBondContact O-N 3.18Å; G135-S139 PolarHBondContact O-OG 3.07Å; G135-S139 VanDerWaalsContact O-OG 3.13Å |
| 136 | F | 92.1 | Very high | 89.8 | Confident | 5 Ų | 5 | 48.1 Ų | 48.1 | 2% | 0.022 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.5 | -56.8 | 179.8 | -177.7 | -93.2 | 0 | 0 | 0 | 112.7 | L72 L75 T76 F119 L123 I130 I133 D138 S139 V140 | L72-F136 HydrophobicContact CB-CD2 4.49Å; L72-F136 HydrophobicContact CB-CE2 4.1Å; L72-F136 HydrophobicContact CD2-CE2 3.74Å; L72-F136 HydrophobicContact CD2-CZ 3.93Å; L72-F136 WeakPolarHBondContact O-CE2 3.46Å; L75-F136 HydrophobicContact CB-CE2 4.35Å; T76-F136 HydrophobicContact CG2-CB 4.4Å; T76-F136 HydrophobicContact CG2-CD2 3.39Å; T76-F136 HydrophobicContact CG2-CE2 3.95Å; T76-F136 HydrophobicContact CG2-CG 4.18Å; F119-F136 HydrophobicContact CZ-CE1 4.02Å; F119-F136 HydrophobicContact CZ-CZ 4.32Å; L123-F136 HydrophobicContact CD1-CE1 4.1Å; L123-F136 HydrophobicContact CD2-CE1 4.12Å; I130-F136 HydrophobicContact CB-CD1 4.29Å; I130-F136 HydrophobicContact CB-CG 4.41Å; I130-F136 HydrophobicContact CD1-CD1 4.49Å; I130-F136 HydrophobicContact CG2-CD1 3.56Å; I130-F136 HydrophobicContact CG2-CD2 4.28Å; I130-F136 HydrophobicContact CG2-CE1 3.65Å; I130-F136 HydrophobicContact CG2-CE2 4.37Å; I130-F136 HydrophobicContact CG2-CG 3.89Å; I130-F136 HydrophobicContact CG2-CZ 4.08Å; I133-F136 HydrophobicContact CB-CB 4.38Å; I133-F136 HydrophobicContact CG2-CB 4Å; I133-F136 HydrophobicContact CG2-CD2 4.26Å; F136-D138 VanDerWaalsContact C-N 3.31Å; F136-D138 PolarHBondContact O-N 3.04Å; F136-S139 PolarHBondContact O-N 2.88Å; F136-S139 VanDerWaalsContact O-N 3.15Å; F136-V140 HydrophobicContact CD1-CG2 4.27Å; F136-V140 HydrophobicContact CE1-CG2 3.89Å; F136-V140 HydrophobicContact CZ-CG2 4.04Å; F136-V140 WeakPolarHBondContact O-CG2 3.47Å; F136-V140 PolarHBondContact O-N 3.19Å |
| 137 | E | 91.8 | Very high | 89.7 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 25% | 0.248 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.3 | -40.6 | -177.4 | -59.9 | -176.1 | -177.5 | 0 | 0 | 112.2 | W120 R127 I130 S139 V140 R141 | W120-E137 HydrophobicContact CH2-CB 4.15Å; W120-E137 HydrophobicContact CZ3-CB 4.19Å; W120-E137 HydrophobicContact CZ3-CG 4.11Å; R127-E137 IonicContact NH1-OE1 3.76Å; R127-E137 PolarHBondContact NH1-OE1 2.82Å; I130-E137 HydrophobicContact CD1-CG 4.48Å; E137-S139 VanDerWaalsContact C-N 3.34Å; E137-S139 PolarHBondContact O-N 3.31Å; E137-V140 PolarHBondContact O-N 3.05Å; E137-R141 WeakPolarHBondContact O-CG 2.93Å; E137-R141 PolarHBondContact O-N 3.5Å; E137-R141 IonicContact OE2-CZ 3.48Å; E137-R141 IonicContact OE2-NH1 2.62Å; E137-R141 PolarHBondContact OE2-NH1 3.18Å; E137-R141 IonicContact OE2-NH2 2.91Å; E137-R141 PolarHBondContact OE2-NH2 3.37Å |
| 138 | D | 91.4 | Very high | 89.8 | Confident | 79 Ų | 79 | 39.7 Ų | 39.7 | 42% | 0.422 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66 | -37 | 178.5 | -76.1 | -9.6 | 0 | 0 | 0 | 112.2 | F136 R141 K142 W175 | F136-D138 VanDerWaalsContact C-N 3.31Å; F136-D138 PolarHBondContact O-N 3.04Å; D138-R141 PolarHBondContact O-N 3.26Å; D138-R141 IonicContact OD1-NH1 3.95Å; D138-R141 PolarHBondContact OD1-NH1 3.17Å; D138-K142 WeakPolarHBondContact O-CG 3.4Å; D138-K142 PolarHBondContact O-N 3.01Å; D138-W175 HydrophobicContact CB-CH2 4.37Å; D138-W175 HydrophobicContact CB-CZ2 4.22Å; D138-W175 WeakPolarHBondContact O-CH2 3.3Å |
| 139 | S | 91.8 | Very high | 89.7 | Confident | 13 Ų | 13 | 33.3 Ų | 33.3 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.8 | -39.7 | 174.7 | -67.2 | 0 | 0 | 0 | 0 | 111.7 | G135 F136 E137 K142 F143 | G135-S139 WeakPolarHBondContact O-CB 3.43Å; G135-S139 PolarHBondContact O-N 3.18Å; G135-S139 PolarHBondContact O-OG 3.07Å; G135-S139 VanDerWaalsContact O-OG 3.13Å; F136-S139 PolarHBondContact O-N 2.88Å; F136-S139 VanDerWaalsContact O-N 3.15Å; E137-S139 VanDerWaalsContact C-N 3.34Å; E137-S139 PolarHBondContact O-N 3.31Å; S139-K142 WeakPolarHBondContact O-CB 3.32Å; S139-K142 PolarHBondContact O-N 3.36Å; S139-F143 PolarHBondContact O-N 3.18Å; S139-F143 VanDerWaalsContact O-N 3.14Å |
| 140 | V | 92.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.3 | -45.8 | 172.6 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | L111 F119 W120 F136 E137 K142 F143 I144 | L111-V140 HydrophobicContact CD1-CG1 4.24Å; L111-V140 HydrophobicContact CD1-CG2 4.23Å; L111-V140 HydrophobicContact CD2-CG1 3.81Å; F119-V140 HydrophobicContact CD1-CG1 4.32Å; F119-V140 HydrophobicContact CE1-CB 4.48Å; F119-V140 HydrophobicContact CE1-CG1 3.65Å; F119-V140 HydrophobicContact CE1-CG2 4.44Å; F119-V140 HydrophobicContact CZ-CG1 3.99Å; F119-V140 HydrophobicContact CZ-CG2 4.06Å; W120-V140 HydrophobicContact CH2-CB 4.37Å; W120-V140 HydrophobicContact CH2-CG1 4.21Å; W120-V140 HydrophobicContact CZ2-CG1 4.05Å; F136-V140 HydrophobicContact CD1-CG2 4.27Å; F136-V140 HydrophobicContact CE1-CG2 3.89Å; F136-V140 HydrophobicContact CZ-CG2 4.04Å; F136-V140 WeakPolarHBondContact O-CG2 3.47Å; F136-V140 PolarHBondContact O-N 3.19Å; E137-V140 PolarHBondContact O-N 3.05Å; V140-K142 VanDerWaalsContact C-N 3.3Å; V140-K142 PolarHBondContact O-N 3.44Å; V140-F143 WeakPolarHBondContact O-CA 3.43Å; V140-F143 WeakPolarHBondContact O-CB 3.41Å; V140-F143 PolarHBondContact O-N 2.89Å; V140-I144 HydrophobicContact CG1-CD1 3.93Å; V140-I144 HydrophobicContact CG1-CG1 4.33Å; V140-I144 WeakPolarHBondContact O-CG1 3.48Å; V140-I144 PolarHBondContact O-N 3.08Å |
| 141 | R | 92.6 | Very high | 89.5 | Confident | 18 Ų | 18 | 35.5 Ų | 35.5 | 7% | 0.068 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.9 | -38.9 | 175.5 | -72.2 | 177.9 | -169.7 | 112.5 | 8 | 112.2 | W120 E137 D138 F143 I144 C145 L164 W175 | W120-R141 HydrophobicContact CH2-CG 4Å; W120-R141 HydrophobicContact CZ2-CG 3.83Å; E137-R141 WeakPolarHBondContact O-CG 2.93Å; E137-R141 PolarHBondContact O-N 3.5Å; E137-R141 IonicContact OE2-CZ 3.48Å; E137-R141 IonicContact OE2-NH1 2.62Å; E137-R141 PolarHBondContact OE2-NH1 3.18Å; E137-R141 IonicContact OE2-NH2 2.91Å; E137-R141 PolarHBondContact OE2-NH2 3.37Å; D138-R141 PolarHBondContact O-N 3.26Å; D138-R141 IonicContact OD1-NH1 3.95Å; D138-R141 PolarHBondContact OD1-NH1 3.17Å; R141-F143 VanDerWaalsContact C-N 3.32Å; R141-F143 PolarHBondContact O-N 3.17Å; R141-I144 PolarHBondContact O-N 2.6Å; R141-C145 WeakPolarHBondContact O-CB 3.35Å; R141-C145 PolarHBondContact O-N 3.48Å; R141-C145 PolarHBondContact O-SG 2.87Å; R141-L164 HydrophobicContact CB-CD2 4.08Å; R141-L164 HydrophobicContact CG-CD2 4.08Å; R141-L164 PolarHBondContact NE-O 3.37Å; R141-L164 VanDerWaalsContact NE-O 3.17Å; R141-W175 HydrophobicContact CB-CH2 3.96Å; R141-W175 HydrophobicContact CB-CZ2 3.77Å; R141-W175 HydrophobicContact CB-CZ3 4.42Å |
| 142 | K | 91.6 | Very high | 89.4 | Confident | 84 Ų | 84 | 33 Ų | 33 | 37% | 0.365 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 172.9 | -74.3 | 169.6 | -166.2 | 165.6 | 0 | 112.1 | D138 S139 V140 C145 H146 W175 Y179 | D138-K142 WeakPolarHBondContact O-CG 3.4Å; D138-K142 PolarHBondContact O-N 3.01Å; S139-K142 WeakPolarHBondContact O-CB 3.32Å; S139-K142 PolarHBondContact O-N 3.36Å; V140-K142 VanDerWaalsContact C-N 3.3Å; V140-K142 PolarHBondContact O-N 3.44Å; K142-C145 PolarHBondContact O-N 3.43Å; K142-H146 WeakPolarHBondContact O-CB 3.41Å; K142-H146 PolarHBondContact O-N 3.44Å; K142-W175 HydrophobicContact CB-CZ3 4.41Å; K142-W175 HydrophobicContact CG-CH2 3.72Å; K142-W175 HydrophobicContact CG-CZ3 3.59Å; K142-Y179 WeakPolarHBondContact CA-OH 3.41Å; K142-Y179 PolarHBondContact O-OH 3.15Å |
| 143 | F | 90.3 | Very high | 89.4 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 2% | 0.022 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.6 | -47.4 | 176.5 | 169.6 | -113 | 0 | 0 | 0 | 110.9 | L78 P79 L111 F116 S139 V140 R141 C145 H146 V147 | L78-F143 HydrophobicContact CB-CB 4.32Å; L78-F143 HydrophobicContact CB-CD1 4.2Å; L78-F143 HydrophobicContact CB-CD2 3.64Å; L78-F143 HydrophobicContact CB-CE1 4.45Å; L78-F143 HydrophobicContact CB-CE2 3.95Å; L78-F143 HydrophobicContact CB-CG 3.78Å; L78-F143 HydrophobicContact CB-CZ 4.34Å; L78-F143 HydrophobicContact CD1-CD1 4.17Å; L78-F143 HydrophobicContact CD1-CE1 4.03Å; L78-F143 HydrophobicContact CD1-CZ 4.33Å; P79-F143 HydrophobicContact CB-CD2 4.2Å; P79-F143 HydrophobicContact CB-CE2 3.91Å; L111-F143 HydrophobicContact CB-CE1 4.31Å; F116-F143 HydrophobicContact CE1-CD1 4.47Å; F116-F143 HydrophobicContact CE1-CE1 4.1Å; S139-F143 PolarHBondContact O-N 3.18Å; S139-F143 VanDerWaalsContact O-N 3.14Å; V140-F143 WeakPolarHBondContact O-CA 3.43Å; V140-F143 WeakPolarHBondContact O-CB 3.41Å; V140-F143 PolarHBondContact O-N 2.89Å; R141-F143 VanDerWaalsContact C-N 3.32Å; R141-F143 PolarHBondContact O-N 3.17Å; F143-C145 VanDerWaalsContact C-N 3.33Å; F143-C145 PolarHBondContact O-N 2.71Å; F143-H146 WeakPolarHBondContact O-CA 3.44Å; F143-H146 VanDerWaalsContact O-CB 3.3Å; F143-H146 WeakPolarHBondContact O-CB 3.3Å; F143-H146 PolarHBondContact O-N 2.94Å; F143-V147 HydrophobicContact CD2-CG2 4.18Å; F143-V147 HydrophobicContact CE1-CG2 4.17Å; F143-V147 HydrophobicContact CE2-CG2 3.7Å; F143-V147 HydrophobicContact CZ-CG2 3.69Å; F143-V147 WeakPolarHBondContact O-CG2 3.4Å; F143-V147 PolarHBondContact O-N 2.92Å |
| 144 | I | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58 | -46.1 | 176.6 | -61.9 | 175.3 | 0 | 0 | 0 | 110.8 | F116 W120 V140 R141 H146 V147 V148 M163 L164 | F116-I144 HydrophobicContact CB-CD1 4.12Å; F116-I144 HydrophobicContact CD1-CD1 3.75Å; F116-I144 HydrophobicContact CD1-CG1 3.58Å; F116-I144 HydrophobicContact CD2-CG1 4.38Å; F116-I144 HydrophobicContact CD2-CG2 3.91Å; F116-I144 HydrophobicContact CE1-CD1 4.34Å; F116-I144 HydrophobicContact CE1-CG1 3.66Å; F116-I144 HydrophobicContact CE2-CG1 4.43Å; F116-I144 HydrophobicContact CE2-CG2 3.99Å; F116-I144 HydrophobicContact CG-CD1 3.92Å; F116-I144 HydrophobicContact CG-CG1 3.97Å; F116-I144 HydrophobicContact CG-CG2 4.23Å; F116-I144 HydrophobicContact CZ-CG1 4.09Å; F116-I144 HydrophobicContact CZ-CG2 4.39Å; W120-I144 HydrophobicContact CZ2-CD1 3.92Å; V140-I144 HydrophobicContact CG1-CD1 3.93Å; V140-I144 HydrophobicContact CG1-CG1 4.33Å; V140-I144 WeakPolarHBondContact O-CG1 3.48Å; V140-I144 PolarHBondContact O-N 3.08Å; R141-I144 PolarHBondContact O-N 2.6Å; I144-H146 VanDerWaalsContact C-N 3.28Å; I144-H146 PolarHBondContact O-N 3.47Å; I144-V147 PolarHBondContact O-N 3.16Å; I144-V148 HydrophobicContact CG2-CG2 4.38Å; I144-V148 WeakPolarHBondContact O-CG2 3.3Å; I144-V148 PolarHBondContact O-N 2.71Å; I144-M163 VanDerWaalsContact CD1-O 3.28Å; I144-M163 WeakPolarHBondContact CD1-O 3.44Å; I144-M163 HydrophobicContact CG2-CB 4.18Å; I144-L164 HydrophobicContact CB-CD2 4.12Å; I144-L164 HydrophobicContact CG2-CD2 3.89Å |
| 145 | C | 90.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.9 | -36.9 | 175.6 | -71.3 | 0 | 0 | 0 | 0 | 112.7 | R141 K142 F143 G149 Y179 W181 | R141-C145 WeakPolarHBondContact O-CB 3.35Å; R141-C145 PolarHBondContact O-N 3.48Å; R141-C145 PolarHBondContact O-SG 2.87Å; K142-C145 PolarHBondContact O-N 3.43Å; F143-C145 VanDerWaalsContact C-N 3.33Å; F143-C145 PolarHBondContact O-N 2.71Å; C145-G149 PolarHBondContact O-N 2.72Å; C145-Y179 HydrophobicContact CB-CD1 4.16Å; C145-Y179 HydrophobicContact CB-CD2 3.99Å; C145-Y179 HydrophobicContact CB-CE1 3.7Å; C145-Y179 HydrophobicContact CB-CE2 3.55Å; C145-Y179 HydrophobicContact CB-CG 4.29Å; C145-W181 HydrophobicContact CB-CH2 3.86Å; C145-W181 HydrophobicContact CB-CZ2 4.43Å |
| 146 | H | 88.4 | Confident | 89.2 | Confident | 77 Ų | 77 | 36 Ų | 36 | 36% | 0.356 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -63.7 | -45.7 | 174.2 | 178.3 | 74.8 | 0 | 0 | 0 | 111.7 | K142 F143 I144 G149 I150 | K142-H146 WeakPolarHBondContact O-CB 3.41Å; K142-H146 PolarHBondContact O-N 3.44Å; F143-H146 WeakPolarHBondContact O-CA 3.44Å; F143-H146 VanDerWaalsContact O-CB 3.3Å; F143-H146 WeakPolarHBondContact O-CB 3.3Å; F143-H146 PolarHBondContact O-N 2.94Å; I144-H146 VanDerWaalsContact C-N 3.28Å; I144-H146 PolarHBondContact O-N 3.47Å; H146-G149 PolarHBondContact O-N 3.43Å; H146-I150 WeakPolarHBondContact NE2-CD1 3.48Å; H146-I150 WeakPolarHBondContact O-CG1 3.24Å; H146-I150 PolarHBondContact O-N 3.36Å |
| 147 | V | 87.8 | Confident | 89 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -49.7 | 175.9 | 179 | 0 | 0 | 0 | 0 | 110.7 | F116 F143 I144 G149 I150 T151 I203 | F116-V147 HydrophobicContact CE2-CG1 4.41Å; F116-V147 HydrophobicContact CZ-CB 4.2Å; F116-V147 HydrophobicContact CZ-CG1 4.22Å; F116-V147 HydrophobicContact CZ-CG2 4.2Å; F143-V147 HydrophobicContact CD2-CG2 4.18Å; F143-V147 HydrophobicContact CE1-CG2 4.17Å; F143-V147 HydrophobicContact CE2-CG2 3.7Å; F143-V147 HydrophobicContact CZ-CG2 3.69Å; F143-V147 WeakPolarHBondContact O-CG2 3.4Å; F143-V147 PolarHBondContact O-N 2.92Å; I144-V147 PolarHBondContact O-N 3.16Å; V147-G149 VanDerWaalsContact C-N 3.29Å; V147-G149 PolarHBondContact O-N 3.16Å; V147-I150 PolarHBondContact O-N 3.14Å; V147-T151 HydrophobicContact CG1-CG2 4.19Å; V147-T151 PolarHBondContact O-N 3.07Å; V147-T151 PolarHBondContact O-OG1 3.09Å; V147-I203 HydrophobicContact CB-CG2 4.33Å; V147-I203 HydrophobicContact CG1-CG2 3.87Å; V147-I203 HydrophobicContact CG2-CG2 3.7Å |
| 148 | V | 88.9 | Confident | 88.9 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59 | -41.6 | 178.9 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | I144 I150 T151 Y152 I155 L160 M163 W181 I191 | I144-V148 HydrophobicContact CG2-CG2 4.38Å; I144-V148 WeakPolarHBondContact O-CG2 3.3Å; I144-V148 PolarHBondContact O-N 2.71Å; V148-I150 PolarHBondContact O-N 3.06Å; V148-I150 VanDerWaalsContact O-N 3.17Å; V148-T151 PolarHBondContact O-N 3.28Å; V148-Y152 HydrophobicContact CB-CD2 4.41Å; V148-Y152 HydrophobicContact CG1-CD2 4.08Å; V148-Y152 HydrophobicContact CG2-CD2 4.44Å; V148-Y152 PolarHBondContact O-N 3.16Å; V148-I155 HydrophobicContact CG1-CD1 4.19Å; V148-L160 HydrophobicContact CG1-CD1 4.26Å; V148-L160 HydrophobicContact CG2-CD1 4.34Å; V148-M163 HydrophobicContact CG2-SD 4.06Å; V148-W181 HydrophobicContact CB-CH2 4.04Å; V148-W181 HydrophobicContact CB-CZ2 4.48Å; V148-W181 HydrophobicContact CG1-CH2 3.82Å; V148-W181 HydrophobicContact CG1-CZ2 4.2Å; V148-W181 HydrophobicContact CG1-CZ3 4.46Å; V148-I191 HydrophobicContact CG1-CD1 4.04Å; V148-I191 HydrophobicContact CG1-CG1 4.31Å |
| 149 | G | 86.2 | Confident | 88.8 | Confident | 25 Ų | 25 | 40.4 Ų | 40.4 | 26% | 0.258 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.2 | -19.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C145 H146 V147 | C145-G149 PolarHBondContact O-N 2.72Å; H146-G149 PolarHBondContact O-N 3.43Å; V147-G149 VanDerWaalsContact C-N 3.29Å; V147-G149 PolarHBondContact O-N 3.16Å |
| 150 | I | 84.8 | Confident | 88.7 | Confident | 35 Ų | 35 | 39.8 Ų | 39.8 | 18% | 0.179 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -95.6 | -39.6 | 176.8 | -66.7 | 168.1 | 0 | 0 | 0 | 111.1 | H146 V147 V148 K201 I203 | H146-I150 WeakPolarHBondContact NE2-CD1 3.48Å; H146-I150 WeakPolarHBondContact O-CG1 3.24Å; H146-I150 PolarHBondContact O-N 3.36Å; V147-I150 PolarHBondContact O-N 3.14Å; V148-I150 PolarHBondContact O-N 3.06Å; V148-I150 VanDerWaalsContact O-N 3.17Å; I150-K201 HydrophobicContact CD1-CB 4.4Å; I150-K201 HydrophobicContact CG1-CB 4.4Å; I150-K201 HydrophobicContact CG1-CD 4.17Å; I150-K201 HydrophobicContact CG2-CB 3.76Å; I150-K201 HydrophobicContact CG2-CD 4.42Å; I150-I203 HydrophobicContact CG2-CG1 4.44Å |
| 151 | T | 84.7 | Confident | 88.6 | Confident | 56 Ų | 56 | 40.6 Ų | 40.6 | 34% | 0.344 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -94.2 | -26.2 | -166.7 | 54.8 | 0 | 0 | 0 | 0 | 114.3 | V147 V148 I203 | V147-T151 HydrophobicContact CG1-CG2 4.19Å; V147-T151 PolarHBondContact O-N 3.07Å; V147-T151 PolarHBondContact O-OG1 3.09Å; V148-T151 PolarHBondContact O-N 3.28Å; T151-I203 HydrophobicContact CG2-CD1 3.74Å; T151-I203 HydrophobicContact CG2-CG1 4.36Å |
| 152 | Y | 83.8 | Confident | 88.5 | Confident | 83 Ų | 83 | 42.3 Ų | 42.3 | 33% | 0.325 | 21% | 0.214 | S | C | . | . | trans | -112.4 | 140.3 | -175.7 | -68.2 | -92.8 | 0 | 0 | 0 | 112.4 | V148 I155 M163 I191 | V148-Y152 HydrophobicContact CB-CD2 4.41Å; V148-Y152 HydrophobicContact CG1-CD2 4.08Å; V148-Y152 HydrophobicContact CG2-CD2 4.44Å; V148-Y152 PolarHBondContact O-N 3.16Å; Y152-I155 HydrophobicContact CD1-CB 4.14Å; Y152-I155 HydrophobicContact CD1-CD1 4.31Å; Y152-I155 HydrophobicContact CD1-CG1 4.2Å; Y152-I155 HydrophobicContact CD2-CD1 4.3Å; Y152-I155 HydrophobicContact CE1-CD1 4.37Å; Y152-I155 HydrophobicContact CE1-CG1 4.41Å; Y152-I155 HydrophobicContact CE2-CD1 4.37Å; Y152-I155 HydrophobicContact CG-CB 4.29Å; Y152-I155 HydrophobicContact CG-CD1 4.29Å; Y152-M163 HydrophobicContact CE2-CE 4.34Å; Y152-I191 WeakPolarHBondContact O-CB 3.45Å; Y152-I191 WeakPolarHBondContact O-CG2 3.37Å | ||
| 153 | Q | 84.8 | Confident | 88.5 | Confident | 81 Ų | 81 | 39.4 Ų | 39.4 | 38% | 0.379 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -88 | -45.2 | 163.9 | -65.7 | -177.8 | 38.8 | 0 | 0 | 110.9 | I191 Y192 Q194 | Q153-I191 WeakPolarHBondContact O-CB 3.44Å; Q153-I191 PolarHBondContact O-N 3.43Å; Q153-Y192 VanDerWaalsContact CA-O 3.29Å; Q153-Y192 WeakPolarHBondContact CA-O 3.34Å; Q153-Y192 PolarHBondContact O-N 3.34Å; Q153-Q194 HydrophobicContact CG-CB 3.89Å; Q153-Q194 HydrophobicContact CG-CG 3.57Å |
| 154 | T | 87.3 | Confident | 88.5 | Confident | 60 Ų | 60 | 39.2 Ų | 39.2 | 37% | 0.368 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 139.1 | 175.3 | 52.2 | 0 | 0 | 0 | 0 | 108.6 | I189 F190 | T154-I189 CarbonylContact C-O 3.55Å; T154-I189 VanDerWaalsContact CA-O 3.24Å; T154-I189 WeakPolarHBondContact CA-O 3.49Å; T154-F190 HydrophobicContact CG2-CD2 4.05Å |
| 155 | I | 90.1 | Very high | 88.4 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 144.4 | 177.6 | -169.6 | 169.5 | 0 | 0 | 0 | 109.8 | V148 Y152 L159 L160 M163 I189 I191 | V148-I155 HydrophobicContact CG1-CD1 4.19Å; Y152-I155 HydrophobicContact CD1-CB 4.14Å; Y152-I155 HydrophobicContact CD1-CD1 4.31Å; Y152-I155 HydrophobicContact CD1-CG1 4.2Å; Y152-I155 HydrophobicContact CD2-CD1 4.3Å; Y152-I155 HydrophobicContact CE1-CD1 4.37Å; Y152-I155 HydrophobicContact CE1-CG1 4.41Å; Y152-I155 HydrophobicContact CE2-CD1 4.37Å; Y152-I155 HydrophobicContact CG-CB 4.29Å; Y152-I155 HydrophobicContact CG-CD1 4.29Å; I155-L159 HydrophobicContact CD1-CD2 4.3Å; I155-L159 HydrophobicContact CD1-CG 4.31Å; I155-L159 HydrophobicContact CG1-CB 4.34Å; I155-L159 HydrophobicContact CG1-CD2 4.1Å; I155-L159 HydrophobicContact CG1-CG 4.34Å; I155-L160 HydrophobicContact CD1-CB 4.16Å; I155-L160 HydrophobicContact CD1-CD1 4.31Å; I155-L160 HydrophobicContact CG1-CB 4.47Å; I155-L160 HydrophobicContact CG2-CB 4.21Å; I155-M163 HydrophobicContact CD1-CE 4.37Å; I155-M163 HydrophobicContact CD1-SD 3.93Å; I155-I189 HydrophobicContact CG2-CB 3.94Å; I155-I189 HydrophobicContact CG2-CG2 4.46Å; I155-I189 PolarHBondContact N-O 2.88Å; I155-I189 PolarHBondContact O-N 3.13Å; I155-I191 HydrophobicContact CG2-CD1 3.81Å; I155-I191 HydrophobicContact CG2-CG1 4.01Å |
| 156 | D | 90.9 | Very high | 88.3 | Confident | 72 Ų | 72 | 46 Ų | 46 | 39% | 0.385 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 139.6 | 173.1 | -173.7 | -86.6 | 0 | 0 | 0 | 110.7 | Q158 L159 L160 | D156-Q158 VanDerWaalsContact C-N 3.28Å; D156-Q158 PolarHBondContact O-N 3.31Å; D156-Q158 WeakPolarHBondContact OD1-CA 3.39Å; D156-Q158 WeakPolarHBondContact OD1-CB 3.4Å; D156-Q158 PolarHBondContact OD1-N 3.3Å; D156-L159 HydrophobicContact CB-CB 4.1Å; D156-L159 PolarHBondContact O-N 3.03Å; D156-L159 PolarHBondContact OD1-N 3.08Å; D156-L160 PolarHBondContact O-N 3.42Å |
| 157 | R | 88.4 | Confident | 88.2 | Confident | 46 Ų | 46 | 43.2 Ų | 43.2 | 17% | 0.174 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.6 | -42.8 | 179.4 | -176.7 | -163.9 | -172.8 | 79.1 | 8.3 | 112 | L160 A161 D169 L172 E183 G187 I189 | R157-L160 PolarHBondContact O-N 3.38Å; R157-A161 PolarHBondContact O-N 3.02Å; R157-D169 IonicContact CZ-OD1 3.3Å; R157-D169 IonicContact NE-OD1 3.49Å; R157-D169 VanDerWaalsContact NH2-CG 3.35Å; R157-D169 IonicContact NH2-OD1 3.96Å; R157-D169 PolarHBondContact NH2-OD1 3.44Å; R157-D169 IonicContact NH2-OD2 2.86Å; R157-L172 HydrophobicContact CG-CD2 4.01Å; R157-E183 WeakPolarHBondContact CD-OE1 3.4Å; R157-E183 IonicContact CZ-OE1 2.73Å; R157-E183 IonicContact CZ-OE2 3.49Å; R157-E183 IonicContact NE-OE1 3.57Å; R157-E183 IonicContact NH1-OE1 2.73Å; R157-E183 PolarHBondContact NH1-OE1 3.08Å; R157-E183 IonicContact NH1-OE2 3.2Å; R157-E183 PolarHBondContact NH1-OE2 3.31Å; R157-G187 WeakPolarHBondContact CB-O 3.43Å; R157-G187 PolarHBondContact N-O 3.13Å; R157-I189 HydrophobicContact CB-CD1 4.22Å; R157-I189 HydrophobicContact CB-CG1 4.43Å; R157-I189 HydrophobicContact CG-CD1 4.29Å |
| 158 | Q | 88.9 | Confident | 88.1 | Confident | 130 Ų | 130 | 48.8 Ų | 48.8 | 61% | 0.607 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -65.1 | -45.9 | -179.2 | -170.6 | -174.9 | -27 | 0 | 0 | 110.2 | D156 L160 A161 E162 | D156-Q158 VanDerWaalsContact C-N 3.28Å; D156-Q158 PolarHBondContact O-N 3.31Å; D156-Q158 WeakPolarHBondContact OD1-CA 3.39Å; D156-Q158 WeakPolarHBondContact OD1-CB 3.4Å; D156-Q158 PolarHBondContact OD1-N 3.3Å; Q158-L160 VanDerWaalsContact C-N 3.32Å; Q158-L160 PolarHBondContact O-N 3.22Å; Q158-A161 WeakPolarHBondContact O-CB 3.32Å; Q158-A161 PolarHBondContact O-N 3.49Å; Q158-A161 VanDerWaalsContact O-N 3.16Å; Q158-E162 PolarHBondContact NE2-OE1 3.18Å; Q158-E162 WeakPolarHBondContact O-CG 3.39Å; Q158-E162 PolarHBondContact O-N 3.25Å |
| 159 | L | 89.7 | Confident | 87.8 | Confident | 54 Ų | 54 | 52.3 Ų | 52.3 | 28% | 0.283 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 177.9 | -176.8 | 61.9 | 0 | 0 | 0 | 112.1 | I155 D156 A161 E162 M163 | I155-L159 HydrophobicContact CD1-CD2 4.3Å; I155-L159 HydrophobicContact CD1-CG 4.31Å; I155-L159 HydrophobicContact CG1-CB 4.34Å; I155-L159 HydrophobicContact CG1-CD2 4.1Å; I155-L159 HydrophobicContact CG1-CG 4.34Å; D156-L159 HydrophobicContact CB-CB 4.1Å; D156-L159 PolarHBondContact O-N 3.03Å; D156-L159 PolarHBondContact OD1-N 3.08Å; L159-A161 VanDerWaalsContact C-N 3.35Å; L159-E162 PolarHBondContact O-N 3.1Å; L159-M163 HydrophobicContact CD1-CE 3.94Å; L159-M163 HydrophobicContact CD2-CE 3.99Å; L159-M163 HydrophobicContact CG-CE 3.8Å; L159-M163 VanDerWaalsContact O-CG 3.31Å; L159-M163 WeakPolarHBondContact O-CG 3.45Å; L159-M163 PolarHBondContact O-N 3Å |
| 160 | L | 89.4 | Confident | 87.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | 175.9 | -178.7 | 65.9 | 0 | 0 | 0 | 111.7 | V148 I155 D156 R157 Q158 M163 L164 L172 M176 W181 I189 | V148-L160 HydrophobicContact CG1-CD1 4.26Å; V148-L160 HydrophobicContact CG2-CD1 4.34Å; I155-L160 HydrophobicContact CD1-CB 4.16Å; I155-L160 HydrophobicContact CD1-CD1 4.31Å; I155-L160 HydrophobicContact CG1-CB 4.47Å; I155-L160 HydrophobicContact CG2-CB 4.21Å; D156-L160 PolarHBondContact O-N 3.42Å; R157-L160 PolarHBondContact O-N 3.38Å; Q158-L160 VanDerWaalsContact C-N 3.32Å; Q158-L160 PolarHBondContact O-N 3.22Å; L160-M163 PolarHBondContact O-N 2.54Å; L160-L164 HydrophobicContact CD1-CD1 4.14Å; L160-L164 HydrophobicContact CD1-CG 4.37Å; L160-L164 HydrophobicContact CG-CD1 4.04Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 2.84Å; L160-L164 VanDerWaalsContact O-N 3.08Å; L160-L172 HydrophobicContact CD2-CD1 3.96Å; L160-L172 HydrophobicContact CG-CD1 4.09Å; L160-M176 HydrophobicContact CD2-CG 4.47Å; L160-W181 HydrophobicContact CD1-CH2 4.44Å; L160-W181 HydrophobicContact CD1-CZ3 3.87Å; L160-W181 HydrophobicContact CD2-CE3 3.96Å; L160-W181 HydrophobicContact CD2-CZ3 3.79Å; L160-W181 HydrophobicContact CG-CZ3 4.48Å; L160-I189 HydrophobicContact CB-CD1 4.26Å; L160-I189 HydrophobicContact CD2-CD1 3.36Å; L160-I189 HydrophobicContact CG-CD1 4.43Å |
| 161 | A | 90.8 | Very high | 87.9 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 13% | 0.132 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.5 | -47 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R157 Q158 L159 M163 L164 G165 D166 P167 L172 | R157-A161 PolarHBondContact O-N 3.02Å; Q158-A161 WeakPolarHBondContact O-CB 3.32Å; Q158-A161 PolarHBondContact O-N 3.49Å; Q158-A161 VanDerWaalsContact O-N 3.16Å; L159-A161 VanDerWaalsContact C-N 3.35Å; A161-M163 VanDerWaalsContact C-N 3.33Å; A161-M163 PolarHBondContact O-N 3.44Å; A161-L164 CarbonylContact O-C 3.55Å; A161-L164 PolarHBondContact O-N 3.12Å; A161-G165 PolarHBondContact O-N 3.1Å; A161-D166 PolarHBondContact O-N 2.92Å; A161-P167 WeakPolarHBondContact O-CD 3.04Å; A161-L172 HydrophobicContact CB-CD2 4.27Å |
| 162 | E | 91.1 | Very high | 88 | Confident | 54 Ų | 54 | 55.7 Ų | 55.7 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.1 | -42 | 177.2 | -70.8 | 173.4 | -167.8 | 0 | 0 | 111.5 | Q117 Q158 L159 L164 G165 | Q117-E162 HydrophobicContact CG-CB 4.31Å; Q117-E162 PolarHBondContact NE2-OE2 3.16Å; Q158-E162 PolarHBondContact NE2-OE1 3.18Å; Q158-E162 WeakPolarHBondContact O-CG 3.39Å; Q158-E162 PolarHBondContact O-N 3.25Å; L159-E162 PolarHBondContact O-N 3.1Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.27Å; E162-G165 PolarHBondContact O-N 3.39Å |
| 163 | M | 90.4 | Very high | 88.1 | Confident | 23 Ų | 23 | 56.4 Ų | 56.4 | 11% | 0.113 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.9 | -32.1 | 175.9 | -73.2 | -178.3 | -179.1 | 0 | 0 | 112.7 | F116 W120 I144 V148 Y152 I155 L159 L160 A161 G165 | F116-M163 HydrophobicContact CB-CB 4.48Å; F116-M163 HydrophobicContact CD2-CB 4.34Å; F116-M163 HydrophobicContact CD2-CG 4.24Å; F116-M163 HydrophobicContact CD2-SD 4.42Å; W120-M163 PolarHBondContact NE1-O 3.47Å; I144-M163 VanDerWaalsContact CD1-O 3.28Å; I144-M163 WeakPolarHBondContact CD1-O 3.44Å; I144-M163 HydrophobicContact CG2-CB 4.18Å; V148-M163 HydrophobicContact CG2-SD 4.06Å; Y152-M163 HydrophobicContact CE2-CE 4.34Å; I155-M163 HydrophobicContact CD1-CE 4.37Å; I155-M163 HydrophobicContact CD1-SD 3.93Å; L159-M163 HydrophobicContact CD1-CE 3.94Å; L159-M163 HydrophobicContact CD2-CE 3.99Å; L159-M163 HydrophobicContact CG-CE 3.8Å; L159-M163 VanDerWaalsContact O-CG 3.31Å; L159-M163 WeakPolarHBondContact O-CG 3.45Å; L159-M163 PolarHBondContact O-N 3Å; L160-M163 PolarHBondContact O-N 2.54Å; A161-M163 VanDerWaalsContact C-N 3.33Å; A161-M163 PolarHBondContact O-N 3.44Å; M163-G165 VanDerWaalsContact C-N 3.31Å |
| 164 | L | 90.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 2.5 | 179.5 | -66.8 | 174.7 | 0 | 0 | 0 | 113.9 | R141 I144 L160 A161 E162 P167 L172 | R141-L164 HydrophobicContact CB-CD2 4.08Å; R141-L164 HydrophobicContact CG-CD2 4.08Å; R141-L164 PolarHBondContact NE-O 3.37Å; R141-L164 VanDerWaalsContact NE-O 3.17Å; I144-L164 HydrophobicContact CB-CD2 4.12Å; I144-L164 HydrophobicContact CG2-CD2 3.89Å; L160-L164 HydrophobicContact CD1-CD1 4.14Å; L160-L164 HydrophobicContact CD1-CG 4.37Å; L160-L164 HydrophobicContact CG-CD1 4.04Å; L160-L164 WeakPolarHBondContact O-CG 3.48Å; L160-L164 PolarHBondContact O-N 2.84Å; L160-L164 VanDerWaalsContact O-N 3.08Å; A161-L164 CarbonylContact O-C 3.55Å; A161-L164 PolarHBondContact O-N 3.12Å; E162-L164 VanDerWaalsContact C-N 3.28Å; E162-L164 PolarHBondContact O-N 3.27Å; L164-P167 HydrophobicContact CB-CG 3.97Å; L164-L172 HydrophobicContact CD1-CD1 3.68Å |
| 165 | G | 90.3 | Very high | 88.4 | Confident | 26 Ų | 26 | 55 Ų | 55 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 41.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | A161 E162 M163 | A161-G165 PolarHBondContact O-N 3.1Å; E162-G165 PolarHBondContact O-N 3.39Å; M163-G165 VanDerWaalsContact C-N 3.31Å |
| 166 | D | 87.8 | Confident | 88.3 | Confident | 118 Ų | 118 | 55.3 Ų | 55.3 | 63% | 0.631 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 48.5 | 54.1 | 178.2 | -64.1 | -47.2 | 0 | 0 | 0 | 114.5 | A161 | A161-D166 PolarHBondContact O-N 2.92Š|
| 167 | P | 85.4 | Confident | 88.2 | Confident | 17 Ų | 17 | 58 Ų | 58 | 11% | 0.11 | 31% | 0.306 | C | S | . | . | trans | -66.8 | 158.9 | 176.7 | 31.9 | -36 | 0 | 0 | 0 | 111 | A161 L164 Q171 L172 | A161-P167 WeakPolarHBondContact O-CD 3.04Å; L164-P167 HydrophobicContact CB-CG 3.97Å; P167-Q171 HydrophobicContact CB-CB 4.07Å; P167-L172 HydrophobicContact CG-CB 4.49Å | ||
| 168 | L | 85.6 | Confident | 88.3 | Confident | 121 Ų | 121 | 61.6 Ų | 61.6 | 63% | 0.634 | 32% | 0.323 | S | S | * | . | trans | -55.3 | 146.5 | 171 | -76.9 | 154.1 | 0 | 0 | 0 | 110.8 | T170 Q171 L172 | L168-T170 PolarHBondContact O-N 2.94Å; L168-Q171 HydrophobicContact CB-CG 4.41Å; L168-Q171 WeakPolarHBondContact O-CA 3.37Å; L168-Q171 WeakPolarHBondContact O-CB 3.22Å; L168-Q171 PolarHBondContact O-N 3.44Å; L168-L172 PolarHBondContact O-N 3.2Å | ||
| 169 | D | 84.1 | Confident | 88.2 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 41% | 0.406 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -50.9 | -36.9 | -179.7 | -167.4 | 78.4 | 0 | 0 | 0 | 113.4 | R157 L172 K173 | R157-D169 IonicContact CZ-OD1 3.3Å; R157-D169 IonicContact NE-OD1 3.49Å; R157-D169 VanDerWaalsContact NH2-CG 3.35Å; R157-D169 IonicContact NH2-OD1 3.96Å; R157-D169 PolarHBondContact NH2-OD1 3.44Å; R157-D169 IonicContact NH2-OD2 2.86Å; D169-L172 PolarHBondContact O-N 3.44Å; D169-K173 WeakPolarHBondContact O-CG 3.46Å; D169-K173 PolarHBondContact O-N 3.04Å; D169-K173 VanDerWaalsContact O-N 3.12Å; D169-K173 WeakPolarHBondContact OD2-CE 2.96Å; D169-K173 IonicContact OD2-NZ 3.92Å; D169-K173 PolarHBondContact OD2-NZ 3.32Å |
| 170 | T | 86.9 | Confident | 88 | Confident | 98 Ų | 98 | 59.3 Ų | 59.3 | 60% | 0.601 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66 | -40.2 | 176.6 | 50.1 | 0 | 0 | 0 | 0 | 112.5 | L168 V174 | L168-T170 PolarHBondContact O-N 2.94Å; T170-V174 WeakPolarHBondContact O-CG2 3.35Å; T170-V174 PolarHBondContact O-N 3.38Å |
| 171 | Q | 85.4 | Confident | 88 | Confident | 85 Ų | 85 | 60 Ų | 60 | 40% | 0.397 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.8 | -40.9 | 177 | -69.2 | -179.5 | -10.6 | 0 | 0 | 111 | P167 L168 K173 V174 W175 | P167-Q171 HydrophobicContact CB-CB 4.07Å; L168-Q171 HydrophobicContact CB-CG 4.41Å; L168-Q171 WeakPolarHBondContact O-CA 3.37Å; L168-Q171 WeakPolarHBondContact O-CB 3.22Å; L168-Q171 PolarHBondContact O-N 3.44Å; Q171-K173 VanDerWaalsContact C-N 3.3Å; Q171-K173 PolarHBondContact O-N 3.33Å; Q171-V174 WeakPolarHBondContact O-CB 3.3Å; Q171-V174 PolarHBondContact O-N 3.05Å; Q171-W175 PolarHBondContact O-N 3.12Å |
| 172 | L | 86.6 | Confident | 87.8 | Confident | 4 Ų | 4 | 63 Ų | 63 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55.8 | -46.8 | 175.1 | -175 | 64.8 | 0 | 0 | 0 | 110.9 | R157 L160 A161 L164 P167 L168 D169 V174 W175 M176 | R157-L172 HydrophobicContact CG-CD2 4.01Å; L160-L172 HydrophobicContact CD2-CD1 3.96Å; L160-L172 HydrophobicContact CG-CD1 4.09Å; A161-L172 HydrophobicContact CB-CD2 4.27Å; L164-L172 HydrophobicContact CD1-CD1 3.68Å; P167-L172 HydrophobicContact CG-CB 4.49Å; L168-L172 PolarHBondContact O-N 3.2Å; D169-L172 PolarHBondContact O-N 3.44Å; L172-V174 VanDerWaalsContact C-N 3.32Å; L172-V174 PolarHBondContact O-N 3.03Å; L172-W175 PolarHBondContact O-N 3.41Å; L172-W175 VanDerWaalsContact O-N 3.17Å; L172-M176 HydrophobicContact CG-SD 4.09Å; L172-M176 VanDerWaalsContact O-CG 3.28Å; L172-M176 WeakPolarHBondContact O-CG 3.46Å; L172-M176 PolarHBondContact O-N 3.33Å |
| 173 | K | 86.8 | Confident | 87.5 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 42% | 0.422 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.9 | -36.4 | 175.2 | -75.2 | 170.6 | 173.6 | 151.7 | 0 | 113.2 | D169 Q171 M176 N177 | D169-K173 WeakPolarHBondContact O-CG 3.46Å; D169-K173 PolarHBondContact O-N 3.04Å; D169-K173 VanDerWaalsContact O-N 3.12Å; D169-K173 WeakPolarHBondContact OD2-CE 2.96Å; D169-K173 IonicContact OD2-NZ 3.92Å; D169-K173 PolarHBondContact OD2-NZ 3.32Å; Q171-K173 VanDerWaalsContact C-N 3.3Å; Q171-K173 PolarHBondContact O-N 3.33Å; K173-M176 PolarHBondContact O-N 2.99Å; K173-N177 WeakPolarHBondContact O-CB 3.25Å; K173-N177 PolarHBondContact O-N 2.93Å; K173-N177 PolarHBondContact O-ND2 3.34Å |
| 174 | V | 90.1 | Very high | 87.2 | Confident | 93 Ų | 93 | 66.6 Ų | 66.6 | 56% | 0.564 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.5 | -44.3 | 174.7 | 170.5 | 0 | 0 | 0 | 0 | 111 | T170 Q171 L172 N177 K178 | T170-V174 WeakPolarHBondContact O-CG2 3.35Å; T170-V174 PolarHBondContact O-N 3.38Å; Q171-V174 WeakPolarHBondContact O-CB 3.3Å; Q171-V174 PolarHBondContact O-N 3.05Å; L172-V174 VanDerWaalsContact C-N 3.32Å; L172-V174 PolarHBondContact O-N 3.03Å; V174-N177 PolarHBondContact O-N 3.19Å; V174-K178 WeakPolarHBondContact O-CB 3.47Å; V174-K178 PolarHBondContact O-N 3.32Å |
| 175 | W | 88.3 | Confident | 86.4 | Confident | 20 Ų | 20 | 76.3 Ų | 76.3 | 8% | 0.076 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 175.9 | -73.1 | 106.5 | 0 | 0 | 0 | 111.7 | D138 R141 K142 Q171 L172 N177 K178 Y179 | D138-W175 HydrophobicContact CB-CH2 4.37Å; D138-W175 HydrophobicContact CB-CZ2 4.22Å; D138-W175 WeakPolarHBondContact O-CH2 3.3Å; R141-W175 HydrophobicContact CB-CH2 3.96Å; R141-W175 HydrophobicContact CB-CZ2 3.77Å; R141-W175 HydrophobicContact CB-CZ3 4.42Å; K142-W175 HydrophobicContact CB-CZ3 4.41Å; K142-W175 HydrophobicContact CG-CH2 3.72Å; K142-W175 HydrophobicContact CG-CZ3 3.59Å; Q171-W175 PolarHBondContact O-N 3.12Å; L172-W175 PolarHBondContact O-N 3.41Å; L172-W175 VanDerWaalsContact O-N 3.17Å; W175-N177 PolarHBondContact O-N 3.14Å; W175-K178 HydrophobicContact CE3-CD 4.3Å; W175-K178 HydrophobicContact CZ3-CD 4.28Å; W175-K178 WeakPolarHBondContact O-CB 3.36Å; W175-K178 PolarHBondContact O-N 3.46Å; W175-Y179 HydrophobicContact CE3-CD2 4.41Å; W175-Y179 AromaticContact CE3-CE2 3.79Å; W175-Y179 HydrophobicContact CE3-CE2 3.79Å; W175-Y179 HydrophobicContact CZ3-CE2 4.04Å; W175-Y179 WeakPolarHBondContact O-CD2 3.47Å; W175-Y179 PolarHBondContact O-N 3.2Å; W175-Y179 VanDerWaalsContact O-N 3.16Å |
| 176 | M | 87.5 | Confident | 85.6 | Confident | 10 Ų | 10 | 81.8 Ų | 81.8 | 5% | 0.049 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -57.7 | -49.3 | 175.5 | -67.7 | 168.7 | 68.5 | 0 | 0 | 111.8 | L160 L172 K173 K178 Y179 G180 W181 E183 I189 | L160-M176 HydrophobicContact CD2-CG 4.47Å; L172-M176 HydrophobicContact CG-SD 4.09Å; L172-M176 VanDerWaalsContact O-CG 3.28Å; L172-M176 WeakPolarHBondContact O-CG 3.46Å; L172-M176 PolarHBondContact O-N 3.33Å; K173-M176 PolarHBondContact O-N 2.99Å; M176-K178 VanDerWaalsContact C-N 3.28Å; M176-K178 PolarHBondContact O-N 3.1Å; M176-Y179 CarbonylContact O-C 3.6Å; M176-Y179 PolarHBondContact O-N 3.01Å; M176-G180 PolarHBondContact O-N 3.16Å; M176-W181 HydrophobicContact CB-CB 4.28Å; M176-W181 HydrophobicContact CG-CE3 4.39Å; M176-W181 PolarHBondContact O-N 3.42Å; M176-E183 HydrophobicContact CE-CB 4.08Å; M176-I189 HydrophobicContact CE-CD1 3.76Å; M176-I189 HydrophobicContact CE-CG1 3.81Å; M176-I189 HydrophobicContact CE-CG2 4.03Å; M176-I189 HydrophobicContact CG-CD1 4.41Å; M176-I189 HydrophobicContact SD-CD1 3.85Å |
| 177 | N | 88.9 | Confident | 85.2 | Confident | 128 Ų | 128 | 77.4 Ų | 77.4 | 68% | 0.684 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.4 | -36.9 | 178.5 | -73.7 | -26.6 | 0 | 0 | 0 | 112.5 | K173 V174 W175 Y179 G180 | K173-N177 WeakPolarHBondContact O-CB 3.25Å; K173-N177 PolarHBondContact O-N 2.93Å; K173-N177 PolarHBondContact O-ND2 3.34Å; V174-N177 PolarHBondContact O-N 3.19Å; W175-N177 PolarHBondContact O-N 3.14Å; N177-Y179 VanDerWaalsContact C-N 3.31Å; N177-Y179 PolarHBondContact O-N 3.32Å; N177-G180 PolarHBondContact O-N 3.41Å |
| 178 | K | 90 | Very high | 85.2 | Confident | 123 Ų | 123 | 80.5 Ų | 80.5 | 54% | 0.535 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.9 | -34 | 179.2 | -175.5 | 177.5 | -177.8 | 177 | 0 | 112.8 | V174 W175 M176 | V174-K178 WeakPolarHBondContact O-CB 3.47Å; V174-K178 PolarHBondContact O-N 3.32Å; W175-K178 HydrophobicContact CE3-CD 4.3Å; W175-K178 HydrophobicContact CZ3-CD 4.28Å; W175-K178 WeakPolarHBondContact O-CB 3.36Å; W175-K178 PolarHBondContact O-N 3.46Å; M176-K178 VanDerWaalsContact C-N 3.28Å; M176-K178 PolarHBondContact O-N 3.1Å |
| 179 | Y | 86.2 | Confident | 85.2 | Confident | 77 Ų | 77 | 74.8 Ų | 74.8 | 30% | 0.302 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -99 | 2 | 179 | -73.6 | -97.6 | 0 | 0 | 0 | 113.2 | K142 C145 W175 M176 N177 W181 | K142-Y179 WeakPolarHBondContact CA-OH 3.41Å; K142-Y179 PolarHBondContact O-OH 3.15Å; C145-Y179 HydrophobicContact CB-CD1 4.16Å; C145-Y179 HydrophobicContact CB-CD2 3.99Å; C145-Y179 HydrophobicContact CB-CE1 3.7Å; C145-Y179 HydrophobicContact CB-CE2 3.55Å; C145-Y179 HydrophobicContact CB-CG 4.29Å; W175-Y179 HydrophobicContact CE3-CD2 4.41Å; W175-Y179 AromaticContact CE3-CE2 3.79Å; W175-Y179 HydrophobicContact CE3-CE2 3.79Å; W175-Y179 HydrophobicContact CZ3-CE2 4.04Å; W175-Y179 WeakPolarHBondContact O-CD2 3.47Å; W175-Y179 PolarHBondContact O-N 3.2Å; W175-Y179 VanDerWaalsContact O-N 3.16Å; M176-Y179 CarbonylContact O-C 3.6Å; M176-Y179 PolarHBondContact O-N 3.01Å; N177-Y179 VanDerWaalsContact C-N 3.31Å; N177-Y179 PolarHBondContact O-N 3.32Å; Y179-W181 VanDerWaalsContact C-N 3.34Å; Y179-W181 HydrophobicContact CD1-CZ2 4.37Å; Y179-W181 HydrophobicContact CG-CZ2 4.26Å |
| 180 | G | 85.9 | Confident | 85.3 | Confident | 58 Ų | 58 | 74.8 Ų | 74.8 | 60% | 0.598 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | 24 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | M176 N177 | M176-G180 PolarHBondContact O-N 3.16Å; N177-G180 PolarHBondContact O-N 3.41Å |
| 181 | W | 90.3 | Very high | 85.1 | Confident | 15 Ų | 15 | 70.7 Ų | 70.7 | 6% | 0.057 | 37% | 0.367 | C | S | . | . | trans | -83.7 | 138.1 | -178.6 | -58.6 | -20.6 | 0 | 0 | 0 | 111.7 | C145 V148 L160 M176 Y179 I189 F190 I191 | C145-W181 HydrophobicContact CB-CH2 3.86Å; C145-W181 HydrophobicContact CB-CZ2 4.43Å; V148-W181 HydrophobicContact CB-CH2 4.04Å; V148-W181 HydrophobicContact CB-CZ2 4.48Å; V148-W181 HydrophobicContact CG1-CH2 3.82Å; V148-W181 HydrophobicContact CG1-CZ2 4.2Å; V148-W181 HydrophobicContact CG1-CZ3 4.46Å; L160-W181 HydrophobicContact CD1-CH2 4.44Å; L160-W181 HydrophobicContact CD1-CZ3 3.87Å; L160-W181 HydrophobicContact CD2-CE3 3.96Å; L160-W181 HydrophobicContact CD2-CZ3 3.79Å; L160-W181 HydrophobicContact CG-CZ3 4.48Å; M176-W181 HydrophobicContact CB-CB 4.28Å; M176-W181 HydrophobicContact CG-CE3 4.39Å; M176-W181 PolarHBondContact O-N 3.42Å; Y179-W181 VanDerWaalsContact C-N 3.34Å; Y179-W181 HydrophobicContact CD1-CZ2 4.37Å; Y179-W181 HydrophobicContact CG-CZ2 4.26Å; W181-I189 HydrophobicContact CB-CG2 3.67Å; W181-I189 HydrophobicContact CG-CG2 4.38Å; W181-F190 WeakPolarHBondContact CA-O 3.44Å; W181-I191 HydrophobicContact CB-CD1 4.32Å; W181-I191 HydrophobicContact CD2-CD1 3.33Å; W181-I191 VanDerWaalsContact CE2-CD1 3.48Å; W181-I191 HydrophobicContact CE3-CD1 3.68Å; W181-I191 HydrophobicContact CG-CD1 3.65Å; W181-I191 HydrophobicContact CH2-CD1 4.2Å; W181-I191 HydrophobicContact CZ2-CD1 3.92Å; W181-I191 HydrophobicContact CZ2-CG2 4.26Å; W181-I191 HydrophobicContact CZ3-CD1 4.11Å | ||
| 182 | T | 85.7 | Confident | 84.6 | Confident | 78 Ų | 78 | 70.8 Ų | 70.8 | 48% | 0.479 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 139.6 | -176.8 | 54.8 | 0 | 0 | 0 | 0 | 111.2 | I189 F190 | T182-I189 CarbonylContact O-C 3.57Å; T182-I189 WeakPolarHBondContact O-CA 3.31Å; T182-F190 PolarHBondContact N-O 3.13Å; T182-F190 PolarHBondContact O-N 3.32Å |
| 183 | E | 85.8 | Confident | 83.8 | Confident | 87 Ų | 87 | 73.8 Ų | 73.8 | 41% | 0.407 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 131.4 | 175.7 | -171.3 | 168.3 | -153.3 | 0 | 0 | 110.7 | R157 M176 | R157-E183 WeakPolarHBondContact CD-OE1 3.4Å; R157-E183 IonicContact CZ-OE1 2.73Å; R157-E183 IonicContact CZ-OE2 3.49Å; R157-E183 IonicContact NE-OE1 3.57Å; R157-E183 IonicContact NH1-OE1 2.73Å; R157-E183 PolarHBondContact NH1-OE1 3.08Å; R157-E183 IonicContact NH1-OE2 3.2Å; R157-E183 PolarHBondContact NH1-OE2 3.31Å; M176-E183 HydrophobicContact CE-CB 4.08Å |
| 184 | N | 83.3 | Confident | 82.5 | Confident | 67 Ų | 67 | 73.1 Ų | 73.1 | 36% | 0.358 | 38% | 0.379 | S | S | . | . | trans | -88.5 | 163.6 | 174.3 | -66 | -11.7 | 0 | 0 | 0 | 110.7 | D186 G187 Q188 | N184-D186 PolarHBondContact O-N 3.06Å; N184-D186 VanDerWaalsContact O-N 3.12Å; N184-G187 PolarHBondContact O-N 3.08Å; N184-Q188 WeakPolarHBondContact CB-O 3.11Å; N184-Q188 PolarHBondContact N-O 3.33Å | ||
| 185 | E | 73.3 | Confident | 80.8 | Confident | 204 Ų | 204 | 76.5 Ų | 76.5 | 95% | 0.953 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.2 | -178.6 | -62.7 | -174.3 | 166.9 | 0 | 0 | 113.5 | G187 | E185-G187 VanDerWaalsContact C-N 3.29Å; E185-G187 PolarHBondContact O-N 3.09Å |
| 186 | D | 74.3 | Confident | 79.2 | Confident | 142 Ų | 142 | 82.8 Ų | 82.8 | 76% | 0.759 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 5.4 | 177.5 | -63.1 | -82.8 | 0 | 0 | 0 | 114.7 | N184 Q188 | N184-D186 PolarHBondContact O-N 3.06Å; N184-D186 VanDerWaalsContact O-N 3.12Å; D186-Q188 VanDerWaalsContact C-N 3.28Å; D186-Q188 PolarHBondContact O-N 3.11Å |
| 187 | G | 78 | Confident | 77.4 | Confident | 25 Ų | 25 | 83.8 Ų | 83.8 | 26% | 0.258 | 43% | 0.427 | S | S | . | . | S | Bend | trans | 77.4 | 12.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | R157 N184 E185 | R157-G187 WeakPolarHBondContact CB-O 3.43Å; R157-G187 PolarHBondContact N-O 3.13Å; N184-G187 PolarHBondContact O-N 3.08Å; E185-G187 VanDerWaalsContact C-N 3.29Å; E185-G187 PolarHBondContact O-N 3.09Å |
| 188 | Q | 85.9 | Confident | 75.8 | Confident | 83 Ų | 83 | 85.4 Ų | 85.4 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 141.3 | 174.1 | -64.8 | -172.7 | -20.7 | 0 | 0 | 111 | N184 D186 | N184-Q188 WeakPolarHBondContact CB-O 3.11Å; N184-Q188 PolarHBondContact N-O 3.33Å; D186-Q188 VanDerWaalsContact C-N 3.28Å; D186-Q188 PolarHBondContact O-N 3.11Å |
| 189 | I | 86 | Confident | 74.2 | Confident | 0 Ų | 0 | 87.7 Ų | 87.7 | 0% | 0 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 119.3 | 176.6 | -59.4 | 173.5 | 0 | 0 | 0 | 108.4 | T154 I155 R157 L160 M176 W181 T182 I191 | T154-I189 CarbonylContact C-O 3.55Å; T154-I189 VanDerWaalsContact CA-O 3.24Å; T154-I189 WeakPolarHBondContact CA-O 3.49Å; I155-I189 HydrophobicContact CG2-CB 3.94Å; I155-I189 HydrophobicContact CG2-CG2 4.46Å; I155-I189 PolarHBondContact N-O 2.88Å; I155-I189 PolarHBondContact O-N 3.13Å; R157-I189 HydrophobicContact CB-CD1 4.22Å; R157-I189 HydrophobicContact CB-CG1 4.43Å; R157-I189 HydrophobicContact CG-CD1 4.29Å; L160-I189 HydrophobicContact CB-CD1 4.26Å; L160-I189 HydrophobicContact CD2-CD1 3.36Å; L160-I189 HydrophobicContact CG-CD1 4.43Å; M176-I189 HydrophobicContact CE-CD1 3.76Å; M176-I189 HydrophobicContact CE-CG1 3.81Å; M176-I189 HydrophobicContact CE-CG2 4.03Å; M176-I189 HydrophobicContact CG-CD1 4.41Å; M176-I189 HydrophobicContact SD-CD1 3.85Å; W181-I189 HydrophobicContact CB-CG2 3.67Å; W181-I189 HydrophobicContact CG-CG2 4.38Å; T182-I189 CarbonylContact O-C 3.57Å; T182-I189 WeakPolarHBondContact O-CA 3.31Å; I189-I191 HydrophobicContact CG2-CD1 3.81Å |
| 190 | F | 85.9 | Confident | 72.9 | Confident | 76 Ų | 76 | 90 Ų | 90 | 33% | 0.333 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 123 | 170.4 | -178.1 | -98.3 | 0 | 0 | 0 | 110 | T154 W181 T182 N193 | T154-F190 HydrophobicContact CG2-CD2 4.05Å; W181-F190 WeakPolarHBondContact CA-O 3.44Å; T182-F190 PolarHBondContact N-O 3.13Å; T182-F190 PolarHBondContact O-N 3.32Å; F190-N193 HydrophobicContact CZ-CB 4.09Å |
| 191 | I | 83.4 | Confident | 71.7 | Confident | 13 Ų | 13 | 92.3 Ų | 92.3 | 7% | 0.067 | 46% | 0.461 | C | S | . | . | trans | -99.6 | -62.2 | -175.8 | -56.9 | -62 | 0 | 0 | 0 | 109.4 | V148 Y152 Q153 I155 W181 I189 | V148-I191 HydrophobicContact CG1-CD1 4.04Å; V148-I191 HydrophobicContact CG1-CG1 4.31Å; Y152-I191 WeakPolarHBondContact O-CB 3.45Å; Y152-I191 WeakPolarHBondContact O-CG2 3.37Å; Q153-I191 WeakPolarHBondContact O-CB 3.44Å; Q153-I191 PolarHBondContact O-N 3.43Å; I155-I191 HydrophobicContact CG2-CD1 3.81Å; I155-I191 HydrophobicContact CG2-CG1 4.01Å; W181-I191 HydrophobicContact CB-CD1 4.32Å; W181-I191 HydrophobicContact CD2-CD1 3.33Å; W181-I191 VanDerWaalsContact CE2-CD1 3.48Å; W181-I191 HydrophobicContact CE3-CD1 3.68Å; W181-I191 HydrophobicContact CG-CD1 3.65Å; W181-I191 HydrophobicContact CH2-CD1 4.2Å; W181-I191 HydrophobicContact CZ2-CD1 3.92Å; W181-I191 HydrophobicContact CZ2-CG2 4.26Å; W181-I191 HydrophobicContact CZ3-CD1 4.11Å; I189-I191 HydrophobicContact CG2-CD1 3.81Å | ||
| 192 | Y | 74.7 | Confident | 70.5 | Confident | 87 Ų | 87 | 96.7 Ų | 96.7 | 34% | 0.341 | 49% | 0.486 | S | S | . | . | trans | -166.1 | 147.7 | -176.2 | -168.6 | -106.5 | 0 | 0 | 0 | 111.2 | Q153 E196 | Q153-Y192 VanDerWaalsContact CA-O 3.29Å; Q153-Y192 WeakPolarHBondContact CA-O 3.34Å; Q153-Y192 PolarHBondContact O-N 3.34Å; Y192-E196 HydrophobicContact CE1-CB 4.1Å; Y192-E196 VanDerWaalsContact CZ-OE2 3.31Å; Y192-E196 WeakPolarHBondContact OH-CB 3.48Å; Y192-E196 PolarHBondContact OH-OE2 3.11Å | ||
| 193 | N | 70 | Confident | 69.5 | Low | 67 Ų | 67 | 95.8 Ų | 95.8 | 36% | 0.358 | 48% | 0.478 | S | S | . | . | trans | -85 | 115.6 | 174.3 | -171.6 | -11.7 | 0 | 0 | 0 | 110.3 | F190 E195 E196 | F190-N193 HydrophobicContact CZ-CB 4.09Å; N193-E195 PolarHBondContact O-N 3.01Å; N193-E195 PolarHBondContact OD1-N 3.2Å; N193-E195 VanDerWaalsContact OD1-N 3.13Å; N193-E196 PolarHBondContact O-N 3.45Å | ||
| 194 | Q | 58.5 | Low | 68.3 | Low | 82 Ų | 82 | 93.7 Ų | 93.7 | 38% | 0.383 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -66.3 | -15 | -178 | -87 | 174.7 | -4 | 0 | 0 | 114.2 | Q153 E196 S197 | Q153-Q194 HydrophobicContact CG-CB 3.89Å; Q153-Q194 HydrophobicContact CG-CG 3.57Å; Q194-E196 PolarHBondContact O-N 3.24Å; Q194-S197 CarbonylContact O-C 3.58Å; Q194-S197 PolarHBondContact O-N 2.99Å; Q194-S197 VanDerWaalsContact O-N 3.1Å |
| 195 | E | 56 | Low | 67.5 | Low | 164 Ų | 164 | 95 Ų | 95 | 77% | 0.766 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -62.9 | -24.3 | 176.5 | -70.2 | -170 | 149.1 | 0 | 0 | 113 | N193 | N193-E195 PolarHBondContact O-N 3.01Å; N193-E195 PolarHBondContact OD1-N 3.2Å; N193-E195 VanDerWaalsContact OD1-N 3.13Å |
| 196 | E | 52.7 | Low | 67.3 | Low | 152 Ų | 152 | 93.3 Ų | 93.3 | 71% | 0.71 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -78.8 | -14 | 175.8 | -100 | -176 | 164.7 | 0 | 0 | 113.9 | Y192 N193 Q194 | Y192-E196 HydrophobicContact CE1-CB 4.1Å; Y192-E196 VanDerWaalsContact CZ-OE2 3.31Å; Y192-E196 WeakPolarHBondContact OH-CB 3.48Å; Y192-E196 PolarHBondContact OH-OE2 3.11Å; N193-E196 PolarHBondContact O-N 3.45Å; Q194-E196 PolarHBondContact O-N 3.24Å |
| 197 | S | 51.2 | Low | 66.9 | Low | 32 Ų | 32 | 89.3 Ų | 89.3 | 22% | 0.224 | 44% | 0.442 | C | S | . | . | trans | -144.1 | 78.5 | -177.7 | 73.3 | 0 | 0 | 0 | 0 | 113.8 | Q194 K199 | Q194-S197 CarbonylContact O-C 3.58Å; Q194-S197 PolarHBondContact O-N 2.99Å; Q194-S197 VanDerWaalsContact O-N 3.1Å; S197-K199 PolarHBondContact O-N 3.27Å | ||
| 198 | I | 53.8 | Low | 66.7 | Low | 161 Ų | 161 | 91.7 Ų | 91.7 | 83% | 0.826 | 45% | 0.449 | S | S | * | . | trans | -70.5 | 7.4 | 169.9 | -53 | 163 | 0 | 0 | 0 | 111.8 | ||||
| 199 | K | 58.2 | Low | 66 | Low | 171 Ų | 171 | 95.9 Ų | 95.9 | 74% | 0.743 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -86.9 | 127.6 | -179 | -64.4 | -173.6 | -178.2 | 178.5 | 0 | 110 | S197 K201 | S197-K199 PolarHBondContact O-N 3.27Å; K199-K201 PolarHBondContact O-N 2.91Å |
| 200 | P | 57.1 | Low | 65.3 | Low | 126 Ų | 126 | 103 Ų | 103 | 82% | 0.818 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 122.8 | 174.2 | 25.7 | -32.9 | 0 | 0 | 0 | 109.4 | ||
| 201 | K | 60.9 | Low | 64.4 | Low | 106 Ų | 106 | 101.5 Ų | 101.5 | 46% | 0.461 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -102.6 | 128.1 | 173.4 | -67.3 | 178.2 | -176.3 | 169.7 | 0 | 108.1 | I150 K199 | I150-K201 HydrophobicContact CD1-CB 4.4Å; I150-K201 HydrophobicContact CG1-CB 4.4Å; I150-K201 HydrophobicContact CG1-CD 4.17Å; I150-K201 HydrophobicContact CG2-CB 3.76Å; I150-K201 HydrophobicContact CG2-CD 4.42Å; K199-K201 PolarHBondContact O-N 2.91Å |
| 202 | N | 66.1 | Low | 63.9 | Low | 108 Ų | 108 | 102.6 Ų | 102.6 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -75.9 | 132.5 | 175.1 | -67.1 | -48.1 | 0 | 0 | 0 | 109.2 | ||
| 203 | I | 64 | Low | 63.7 | Low | 58 Ų | 58 | 100.2 Ų | 100.2 | 30% | 0.297 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -77.3 | -32.2 | 179.9 | -62.5 | 171.2 | 0 | 0 | 0 | 111 | P79 V147 I150 T151 | P79-I203 WeakPolarHBondContact CB-O 3.42Å; V147-I203 HydrophobicContact CB-CG2 4.33Å; V147-I203 HydrophobicContact CG1-CG2 3.87Å; V147-I203 HydrophobicContact CG2-CG2 3.7Å; I150-I203 HydrophobicContact CG2-CG1 4.44Å; T151-I203 HydrophobicContact CG2-CD1 3.74Å; T151-I203 HydrophobicContact CG2-CG1 4.36Å |
| 204 | V | 60.6 | Low | 63.8 | Low | 43 Ų | 43 | 100.9 Ų | 100.9 | 26% | 0.261 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -131.7 | 142.2 | 176.1 | -174.9 | 0 | 0 | 0 | 0 | 107.8 | ||
| 205 | E | 66.6 | Low | 64.3 | Low | 95 Ų | 95 | 98.5 Ų | 98.5 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -62 | 139.1 | 173.2 | -74.4 | -175.8 | 165.9 | 0 | 0 | 110.3 | P79 H80 T81 | P79-E205 PolarHBondContact O-N 3.09Å; P79-E205 VanDerWaalsContact O-N 3.11Å; H80-E205 IonicContact CE1-OE1 3.67Å; H80-E205 PolarHBondContact CE1-OE1 3.41Å; H80-E205 IonicContact CE1-OE2 2.72Å; H80-E205 IonicContact CG-OE2 3.31Å; H80-E205 IonicContact ND1-OE1 3.18Å; H80-E205 PolarHBondContact ND1-OE1 3.47Å; H80-E205 IonicContact ND1-OE2 3.92Å; H80-E205 PolarHBondContact ND1-OE2 3.45Å; T81-E205 HydrophobicContact CG2-CB 3.54Å; T81-E205 WeakPolarHBondContact CG2-O 3.3Å |
| 206 | K | 69.8 | Low | 65 | Low | 168 Ų | 168 | 96.2 Ų | 96.2 | 73% | 0.73 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -90 | 130.5 | 175.6 | -69.9 | -173.2 | -179.7 | -178.9 | 0 | 108.7 | D208 | K206-D208 PolarHBondContact O-N 3.36Š|
| 207 | I | 65.5 | Low | 65.6 | Low | 59 Ų | 59 | 92.6 Ų | 92.6 | 30% | 0.303 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 129.1 | 169.8 | -67.1 | -178.7 | 0 | 0 | 0 | 109.3 | T81 T84 L85 V212 | T81-I207 VanDerWaalsContact CB-CG1 3.43Å; T81-I207 HydrophobicContact CG2-CD1 4.42Å; T81-I207 HydrophobicContact CG2-CG1 3.46Å; T81-I207 VanDerWaalsContact CG2-CG1 3.46Å; T84-I207 HydrophobicContact CG2-CD1 3.43Å; T84-I207 VanDerWaalsContact CG2-CD1 3.43Å; L85-I207 HydrophobicContact CD2-CD1 4.16Å; L85-I207 HydrophobicContact CG-CD1 4.44Å; I207-V212 HydrophobicContact CG2-CG2 3.13Å |
| 208 | D | 73.2 | Confident | 65.9 | Low | 75 Ų | 75 | 93.7 Ų | 93.7 | 40% | 0.401 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -102.3 | 165.8 | 169.8 | 69.7 | -27.6 | 0 | 0 | 0 | 111.5 | K206 E210 S211 V212 | K206-D208 PolarHBondContact O-N 3.36Å; D208-E210 PolarHBondContact O-N 3.45Å; D208-S211 PolarHBondContact O-N 2.79Å; D208-S211 WeakPolarHBondContact OD1-CB 3.47Å; D208-S211 PolarHBondContact OD1-N 3.21Å; D208-S211 VanDerWaalsContact OD1-N 3.13Å; D208-S211 PolarHBondContact OD1-OG 2.99Å; D208-V212 PolarHBondContact O-N 3.01Å |
| 209 | F | 71.9 | Confident | 65.6 | Low | 171 Ų | 171 | 88.1 Ų | 88.1 | 75% | 0.75 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.1 | -32.3 | -179.2 | -179.9 | -97 | 0 | 0 | 0 | 112.1 | V212 S213 | F209-V212 PolarHBondContact O-N 3.07Å; F209-S213 WeakPolarHBondContact O-CA 3.38Å; F209-S213 WeakPolarHBondContact O-CB 3.46Å; F209-S213 PolarHBondContact O-N 3.09Å; F209-S213 PolarHBondContact O-OG 2.83Å |
| 210 | E | 71.9 | Confident | 64.7 | Low | 149 Ų | 149 | 92 Ų | 92 | 70% | 0.696 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.8 | -42.7 | 178.9 | -63.1 | -172.2 | 176 | 0 | 0 | 111.6 | D208 V212 S213 S214 | D208-E210 PolarHBondContact O-N 3.45Å; E210-V212 PolarHBondContact O-N 2.98Å; E210-S213 WeakPolarHBondContact CA-OG 3.32Å; E210-S213 PolarHBondContact O-OG 3.26Å; E210-S214 PolarHBondContact O-N 3.25Å; E210-S214 VanDerWaalsContact O-N 3.15Å |
| 211 | S | 67.4 | Low | 65.1 | Low | 44 Ų | 44 | 90.3 Ų | 90.3 | 31% | 0.308 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.9 | -45.7 | 175.3 | -64.1 | 0 | 0 | 0 | 0 | 112.1 | D208 S214 | D208-S211 PolarHBondContact O-N 2.79Å; D208-S211 WeakPolarHBondContact OD1-CB 3.47Å; D208-S211 PolarHBondContact OD1-N 3.21Å; D208-S211 VanDerWaalsContact OD1-N 3.13Å; D208-S211 PolarHBondContact OD1-OG 2.99Å; S211-S214 PolarHBondContact O-OG 3.36Å |
| 212 | V | 71.4 | Confident | 65.3 | Low | 37 Ų | 37 | 89.5 Ų | 89.5 | 22% | 0.224 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -74 | -44.1 | -179.1 | -178.3 | 0 | 0 | 0 | 0 | 112 | I207 D208 F209 E210 S214 I215 M216 | I207-V212 HydrophobicContact CG2-CG2 3.13Å; D208-V212 PolarHBondContact O-N 3.01Å; F209-V212 PolarHBondContact O-N 3.07Å; E210-V212 PolarHBondContact O-N 2.98Å; V212-S214 VanDerWaalsContact C-N 3.3Å; V212-S214 PolarHBondContact O-N 2.93Å; V212-I215 PolarHBondContact O-N 2.77Å; V212-I215 VanDerWaalsContact O-N 3.13Å; V212-M216 HydrophobicContact CG1-CG 3.73Å; V212-M216 HydrophobicContact CG1-SD 3.32Å; V212-M216 WeakPolarHBondContact CG1-SD 3.37Å; V212-M216 WeakPolarHBondContact O-CB 3.45Å; V212-M216 WeakPolarHBondContact O-CG 3.48Å; V212-M216 PolarHBondContact O-N 3.16Å |
| 213 | S | 72 | Confident | 65.3 | Low | 37 Ų | 37 | 88.4 Ų | 88.4 | 26% | 0.259 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.9 | -35.1 | -175.4 | 61.1 | 0 | 0 | 0 | 0 | 111.8 | F209 E210 I215 M216 A217 | F209-S213 WeakPolarHBondContact O-CA 3.38Å; F209-S213 WeakPolarHBondContact O-CB 3.46Å; F209-S213 PolarHBondContact O-N 3.09Å; F209-S213 PolarHBondContact O-OG 2.83Å; E210-S213 WeakPolarHBondContact CA-OG 3.32Å; E210-S213 PolarHBondContact O-OG 3.26Å; S213-I215 VanDerWaalsContact C-N 3.26Å; S213-I215 PolarHBondContact O-N 2.65Å; S213-M216 PolarHBondContact O-N 3.12Å; S213-A217 WeakPolarHBondContact O-CA 3.03Å; S213-A217 WeakPolarHBondContact O-CB 3.47Å; S213-A217 PolarHBondContact O-N 2.82Å |
| 214 | S | 71 | Confident | 65.3 | Low | 80 Ų | 80 | 90.2 Ų | 90.2 | 56% | 0.559 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.4 | -36.9 | 175.6 | 74.2 | 0 | 0 | 0 | 0 | 112.8 | E210 S211 V212 | E210-S214 PolarHBondContact O-N 3.25Å; E210-S214 VanDerWaalsContact O-N 3.15Å; S211-S214 PolarHBondContact O-OG 3.36Å; V212-S214 VanDerWaalsContact C-N 3.3Å; V212-S214 PolarHBondContact O-N 2.93Å |
| 215 | I | 68.9 | Low | 65.6 | Low | 33 Ų | 33 | 93.2 Ų | 93.2 | 17% | 0.169 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -81.5 | -42.5 | -179.2 | -62.4 | 164.4 | 0 | 0 | 0 | 110.3 | L49 L85 M89 V212 S213 T218 | L49-I215 HydrophobicContact CD1-CD1 3.85Å; L49-I215 HydrophobicContact CD1-CG1 4.4Å; L85-I215 HydrophobicContact CB-CD1 4.4Å; L85-I215 HydrophobicContact CD1-CD1 3.83Å; L85-I215 HydrophobicContact CD2-CD1 3.72Å; L85-I215 HydrophobicContact CG-CD1 4.19Å; M89-I215 HydrophobicContact CE-CG2 4.27Å; M89-I215 HydrophobicContact CG-CG2 4.38Å; M89-I215 HydrophobicContact SD-CG2 3.49Å; M89-I215 WeakPolarHBondContact SD-CG2 3.38Å; V212-I215 PolarHBondContact O-N 2.77Å; V212-I215 VanDerWaalsContact O-N 3.13Å; S213-I215 VanDerWaalsContact C-N 3.26Å; S213-I215 PolarHBondContact O-N 2.65Å; I215-T218 PolarHBondContact O-OG1 3.43Å; I215-T218 VanDerWaalsContact O-OG1 3.12Å |
| 216 | M | 70.1 | Confident | 65.6 | Low | 116 Ų | 116 | 93.1 Ų | 93.1 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -77.7 | -27.3 | -178.1 | -69.9 | -169.4 | 75.1 | 0 | 0 | 114.4 | V212 S213 T218 S219 | V212-M216 HydrophobicContact CG1-CG 3.73Å; V212-M216 HydrophobicContact CG1-SD 3.32Å; V212-M216 WeakPolarHBondContact CG1-SD 3.37Å; V212-M216 WeakPolarHBondContact O-CB 3.45Å; V212-M216 WeakPolarHBondContact O-CG 3.48Å; V212-M216 PolarHBondContact O-N 3.16Å; S213-M216 PolarHBondContact O-N 3.12Å; M216-T218 PolarHBondContact O-N 2.92Å; M216-S219 PolarHBondContact O-N 2.78Å |
| 217 | A | 66.1 | Low | 65.3 | Low | 76 Ų | 76 | 87.7 Ų | 87.7 | 63% | 0.628 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -15.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S213 | S213-A217 WeakPolarHBondContact O-CA 3.03Å; S213-A217 WeakPolarHBondContact O-CB 3.47Å; S213-A217 PolarHBondContact O-N 2.82Å |
| 218 | T | 58.5 | Low | 65.3 | Low | 54 Ų | 54 | 89.9 Ų | 89.9 | 33% | 0.331 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 10.1 | -179.3 | 42.4 | 0 | 0 | 0 | 0 | 112.2 | K53 F57 I215 M216 | K53-T218 WeakPolarHBondContact CE-O 3.1Å; K53-T218 PolarHBondContact NZ-O 2.95Å; K53-T218 PolarHBondContact NZ-OG1 2.79Å; F57-T218 WeakPolarHBondContact CZ-O 3.5Å; I215-T218 PolarHBondContact O-OG1 3.43Å; I215-T218 VanDerWaalsContact O-OG1 3.12Å; M216-T218 PolarHBondContact O-N 2.92Å |
| 219 | S | 47.7 | Very low | 64.6 | Low | 45 Ų | 45 | 91.2 Ų | 91.2 | 32% | 0.315 | 50% | 0.499 | S | S | . | . | trans | -108.4 | 13.1 | 175.2 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | M216 | M216-S219 PolarHBondContact O-N 2.78Š| ||
| 220 | Q | 38.4 | Very low | 63.9 | Low | 252 Ų | 252 | 83.9 Ų | 83.9 | 100% | 1.178 | 48% | 0.476 | S | S | * | . | trans | -104.2 | 0 | 169.7 | -77.7 | -170.9 | -0.2 | 0 | 0 | 111.4 |
Retrieved 220 of 220 residues in 189.1 ms
(Link to these results)