| 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 | 47.2 | Very low | 67 | Low | 189 Ų | 189 | 93.9 Ų | 93.9 | 93% | 0.931 | 51% | 0.513 | S | S | * | . | 0 | -68.4 | 0 | -82.6 | -169.8 | 61.3 | 0 | 0 | 113.2 | D4 E5 | M1-D4 PolarHBondContact N-OD2 2.91Å; M1-D4 PolarHBondContact O-N 3.07Å; M1-E5 PolarHBondContact O-N 3.42Å; M1-E5 VanDerWaalsContact O-N 3.07Å | |||
| 2 | A | 50.6 | Low | 69.2 | Low | 83 Ų | 83 | 93 Ų | 93 | 69% | 0.686 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.9 | -39.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D4 S6 | A2-D4 VanDerWaalsContact C-N 3.33Å; A2-S6 PolarHBondContact O-N 3.35Å |
| 3 | E | 53.4 | Low | 71 | Confident | 155 Ų | 155 | 94.8 Ų | 94.8 | 72% | 0.724 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65 | -35.3 | 172.2 | -83.1 | -172.9 | 144 | 0 | 0 | 112.8 | S6 V7 | E3-S6 PolarHBondContact O-N 2.71Å; E3-S6 PolarHBondContact O-OG 3.03Å; E3-V7 VanDerWaalsContact O-CG2 3.3Å; E3-V7 WeakPolarHBondContact O-CG2 3.3Å; E3-V7 PolarHBondContact O-N 2.68Å |
| 4 | D | 57.9 | Low | 72.7 | Confident | 73 Ų | 73 | 91.8 Ų | 91.8 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.3 | -36.2 | -179 | -62.4 | -50 | 0 | 0 | 0 | 111.8 | M1 A2 S6 V7 L8 L52 | M1-D4 PolarHBondContact N-OD2 2.91Å; M1-D4 PolarHBondContact O-N 3.07Å; A2-D4 VanDerWaalsContact C-N 3.33Å; D4-S6 VanDerWaalsContact C-N 3.35Å; D4-V7 PolarHBondContact O-N 2.85Å; D4-L8 PolarHBondContact O-N 3.25Å; D4-L52 HydrophobicContact CB-CD1 3.66Å |
| 5 | E | 60.5 | Low | 74.3 | Confident | 140 Ų | 140 | 90.3 Ų | 90.3 | 65% | 0.654 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.3 | -35.4 | 174.5 | -83.6 | -163.6 | 144.5 | 0 | 0 | 113.1 | M1 S9 K33 | M1-E5 PolarHBondContact O-N 3.42Å; M1-E5 VanDerWaalsContact O-N 3.07Å; E5-S9 PolarHBondContact O-N 2.85Å; E5-S9 PolarHBondContact O-OG 2.52Å; E5-K33 PolarHBondContact O-NZ 2.98Å |
| 6 | S | 61.4 | Low | 75.6 | Confident | 76 Ų | 76 | 85.2 Ų | 85.2 | 53% | 0.531 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.2 | -42.1 | 177.5 | 80.5 | 0 | 0 | 0 | 0 | 110.9 | A2 E3 D4 L8 S9 | A2-S6 PolarHBondContact O-N 3.35Å; E3-S6 PolarHBondContact O-N 2.71Å; E3-S6 PolarHBondContact O-OG 3.03Å; D4-S6 VanDerWaalsContact C-N 3.35Å; S6-L8 VanDerWaalsContact C-N 3.28Å; S6-L8 PolarHBondContact O-N 2.97Å; S6-S9 PolarHBondContact O-N 3.11Å |
| 7 | V | 65.9 | Low | 76.8 | Confident | 47 Ų | 47 | 82.1 Ų | 82.1 | 29% | 0.285 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.5 | -32.2 | 178.6 | 173.6 | 0 | 0 | 0 | 0 | 112.5 | E3 D4 S9 L52 K88 L89 | E3-V7 VanDerWaalsContact O-CG2 3.3Å; E3-V7 WeakPolarHBondContact O-CG2 3.3Å; E3-V7 PolarHBondContact O-N 2.68Å; D4-V7 PolarHBondContact O-N 2.85Å; V7-S9 VanDerWaalsContact C-N 3.3Å; V7-L52 HydrophobicContact CB-CD2 4.17Å; V7-L52 HydrophobicContact CG1-CD2 3.74Å; V7-K88 HydrophobicContact CG1-CB 4.29Å; V7-L89 HydrophobicContact CG1-CD2 4.01Å; V7-L89 HydrophobicContact CG1-CG 4.38Å |
| 8 | L | 76.6 | Confident | 77.8 | Confident | 27 Ų | 27 | 81.3 Ų | 81.3 | 14% | 0.141 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -17.1 | 175 | -76.4 | 165.6 | 0 | 0 | 0 | 112.9 | D4 S6 L10 K33 Y35 I50 L52 L89 | D4-L8 PolarHBondContact O-N 3.25Å; S6-L8 VanDerWaalsContact C-N 3.28Å; S6-L8 PolarHBondContact O-N 2.97Å; L8-L10 PolarHBondContact O-N 3.01Å; L8-K33 HydrophobicContact CB-CD 4.06Å; L8-K33 VanDerWaalsContact O-CD 3.28Å; L8-K33 WeakPolarHBondContact O-CD 3.24Å; L8-Y35 PolarHBondContact O-OH 2.77Å; L8-I50 HydrophobicContact CD2-CD1 4.4Å; L8-I50 HydrophobicContact CD2-CG1 4.26Å; L8-I50 WeakPolarHBondContact O-CD1 3.35Å; L8-L52 HydrophobicContact CD1-CD1 3.74Å; L8-L52 HydrophobicContact CD1-CG 3.98Å; L8-L52 HydrophobicContact CD2-CG 4.09Å; L8-L52 HydrophobicContact CG-CD1 4.1Å; L8-L52 HydrophobicContact CG-CD2 4.39Å; L8-L52 HydrophobicContact CG-CG 3.86Å; L8-L89 HydrophobicContact CD2-CD2 4.05Å |
| 9 | S | 83.4 | Confident | 78.8 | Confident | 65 Ų | 65 | 82 Ų | 82 | 46% | 0.455 | 46% | 0.459 | S | S | . | . | trans | -89.1 | 99.6 | -177.7 | -61.2 | 0 | 0 | 0 | 0 | 110 | E5 S6 V7 K33 | E5-S9 PolarHBondContact O-N 2.85Å; E5-S9 PolarHBondContact O-OG 2.52Å; S6-S9 PolarHBondContact O-N 3.11Å; V7-S9 VanDerWaalsContact C-N 3.3Å; S9-K33 PolarHBondContact OG-NZ 3.09Å | ||
| 10 | L | 89.4 | Confident | 79.8 | Confident | 33 Ų | 33 | 77.9 Ų | 77.9 | 17% | 0.173 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 132.3 | 173.1 | -55.2 | 179.4 | 0 | 0 | 0 | 109.7 | L8 F16 I22 Y35 L48 I50 L89 | L8-L10 PolarHBondContact O-N 3.01Å; L10-F16 HydrophobicContact CD1-CD2 3.77Å; L10-F16 HydrophobicContact CD1-CE2 4.08Å; L10-F16 HydrophobicContact CD1-CG 4.47Å; L10-F16 HydrophobicContact CD2-CD2 4.38Å; L10-I22 HydrophobicContact CB-CD1 3.27Å; L10-I22 HydrophobicContact CD1-CD1 3.52Å; L10-I22 HydrophobicContact CG-CD1 3.96Å; L10-Y35 HydrophobicContact CB-CE1 4.26Å; L10-Y35 HydrophobicContact CB-CE2 4.4Å; L10-Y35 HydrophobicContact CD1-CD2 4.34Å; L10-Y35 HydrophobicContact CD1-CE2 4.21Å; L10-Y35 HydrophobicContact CG-CE2 4.26Å; L10-Y35 PolarHBondContact N-OH 3.36Å; L10-Y35 VanDerWaalsContact N-OH 3.13Å; L10-L48 HydrophobicContact CD1-CD2 3.95Å; L10-I50 HydrophobicContact CD1-CD1 3.69Å; L10-I50 HydrophobicContact CD1-CG2 4.41Å; L10-I50 HydrophobicContact CD2-CD1 4.34Å; L10-I50 HydrophobicContact CG-CD1 3.71Å; L10-L89 HydrophobicContact CD2-CD1 4.21Å |
| 11 | E | 90.9 | Very high | 80.7 | Confident | 145 Ų | 145 | 77.4 Ų | 77.4 | 68% | 0.678 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 137.4 | 179.9 | -69.9 | -180 | 177.7 | 0 | 0 | 111.8 | T14 | E11-T14 HydrophobicContact CB-CG2 3.65Å; E11-T14 WeakPolarHBondContact O-CB 2.73Å; E11-T14 PolarHBondContact O-N 3.1Å; E11-T14 PolarHBondContact O-OG1 3Å |
| 12 | T | 93.2 | Very high | 83.1 | Confident | 83 Ų | 83 | 68.5 Ų | 68.5 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 153 | 173.6 | 50.2 | 0 | 0 | 0 | 0 | 111 | T14 L23 | T12-T14 PolarHBondContact O-N 3.03Å; T12-T14 VanDerWaalsContact O-N 3.09Å; T12-L23 VanDerWaalsContact CG2-O 3.32Å; T12-L23 WeakPolarHBondContact CG2-O 3.31Å |
| 13 | E | 92.6 | Very high | 85.3 | Confident | 116 Ų | 116 | 66.6 Ų | 66.6 | 54% | 0.542 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | -7 | -176.6 | -56.7 | -66.1 | 105.8 | 0 | 0 | 115.5 | K21 I22 | E13-K21 WeakPolarHBondContact OE1-CE 3.4Å; E13-K21 IonicContact OE1-NZ 2.76Å; E13-K21 WeakPolarHBondContact OE2-CE 3.47Å; E13-K21 IonicContact OE2-NZ 3.54Å; E13-K21 PolarHBondContact OE2-NZ 2.83Å; E13-I22 PolarHBondContact N-O 2.88Å |
| 14 | T | 95.3 | Very high | 87.3 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | trans | -78.7 | 166.5 | 171.1 | 72.3 | 0 | 0 | 0 | 0 | 112.2 | E11 T12 K21 I22 | E11-T14 HydrophobicContact CB-CG2 3.65Å; E11-T14 WeakPolarHBondContact O-CB 2.73Å; E11-T14 PolarHBondContact O-N 3.1Å; E11-T14 PolarHBondContact O-OG1 3Å; T12-T14 PolarHBondContact O-N 3.03Å; T12-T14 VanDerWaalsContact O-N 3.09Å; T14-K21 CarbonylContact O-C 3.56Å; T14-K21 WeakPolarHBondContact O-CA 3.46Å; T14-I22 PolarHBondContact O-N 2.83Å | ||
| 15 | T | 95.5 | Very high | 89.1 | Confident | 70 Ų | 70 | 66.4 Ų | 66.4 | 43% | 0.429 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 118.5 | 178.1 | -58.9 | 0 | 0 | 0 | 0 | 111 | G18 Y20 I40 | T15-G18 VanDerWaalsContact CG2-CA 3.47Å; T15-Y20 CarbonylContact C-O 3.54Å; T15-Y20 WeakPolarHBondContact CA-O 3.44Å; T15-I40 HydrophobicContact CG2-CD1 3.62Å |
| 16 | F | 96.2 | Very high | 90.6 | Very high | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.035 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 131.8 | 169.2 | -169.1 | -106.8 | 0 | 0 | 0 | 110.2 | L10 G18 R19 Y20 I22 L48 I50 W86 L89 Y91 | L10-F16 HydrophobicContact CD1-CD2 3.77Å; L10-F16 HydrophobicContact CD1-CE2 4.08Å; L10-F16 HydrophobicContact CD1-CG 4.47Å; L10-F16 HydrophobicContact CD2-CD2 4.38Å; F16-G18 PolarHBondContact O-N 2.76Å; F16-R19 PolarHBondContact O-N 2.77Å; F16-Y20 PolarHBondContact N-O 2.61Å; F16-Y20 PolarHBondContact O-N 2.71Å; F16-I22 HydrophobicContact CB-CD1 4.2Å; F16-I22 HydrophobicContact CB-CG1 4.24Å; F16-L48 HydrophobicContact CB-CD2 4.22Å; F16-L48 HydrophobicContact CD1-CD1 4.03Å; F16-L48 HydrophobicContact CD1-CD2 3.67Å; F16-L48 HydrophobicContact CD2-CD2 4.32Å; F16-L48 HydrophobicContact CE1-CD1 3.81Å; F16-L48 HydrophobicContact CE1-CD2 4.1Å; F16-L48 HydrophobicContact CG-CD2 3.81Å; F16-I50 HydrophobicContact CZ-CG2 4.39Å; F16-W86 HydrophobicContact CE2-CB 4.47Å; F16-W86 AromaticContact CE2-CD1 3.84Å; F16-W86 HydrophobicContact CE2-CG 4.41Å; F16-W86 HydrophobicContact CZ-CB 4.02Å; F16-W86 HydrophobicContact CZ-CG 4.35Å; F16-L89 HydrophobicContact CE2-CD1 4.22Å; F16-Y91 AromaticContact CE1-CD1 3.88Å; F16-Y91 HydrophobicContact CE1-CD1 3.88Å; F16-Y91 AromaticContact CE1-CD2 3.97Å; F16-Y91 HydrophobicContact CE1-CD2 3.97Å; F16-Y91 HydrophobicContact CE1-CE1 4.37Å; F16-Y91 HydrophobicContact CE1-CE2 4.46Å; F16-Y91 AromaticContact CE1-CG 3.66Å; F16-Y91 HydrophobicContact CE1-CG 3.66Å; F16-Y91 AromaticContact CZ-CD1 3.89Å; F16-Y91 HydrophobicContact CZ-CD1 3.89Å; F16-Y91 AromaticContact CZ-CG 3.93Å; F16-Y91 HydrophobicContact CZ-CG 3.93Å |
| 17 | I | 95.4 | Very high | 91.8 | Very high | 33 Ų | 33 | 61.2 Ų | 61.2 | 17% | 0.169 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.9 | 28.2 | 178.4 | 66.1 | 169.4 | 0 | 0 | 0 | 115.3 | R19 Y20 E82 W86 Y91 | I17-R19 HydrophobicContact CG1-CB 4.26Å; I17-R19 PolarHBondContact O-N 3.5Å; I17-R19 VanDerWaalsContact O-N 3.1Å; I17-Y20 HydrophobicContact CD1-CD2 3.81Å; I17-Y20 HydrophobicContact CD1-CE2 3.85Å; I17-Y20 HydrophobicContact CG1-CD2 3.81Å; I17-Y20 HydrophobicContact CG1-CE2 4.34Å; I17-E82 WeakPolarHBondContact CD1-OE2 3.46Å; I17-W86 HydrophobicContact CB-CD2 4.46Å; I17-W86 HydrophobicContact CB-CE3 4.49Å; I17-W86 HydrophobicContact CG2-CB 3.82Å; I17-W86 HydrophobicContact CG2-CD2 3.48Å; I17-W86 VanDerWaalsContact CG2-CD2 3.48Å; I17-W86 HydrophobicContact CG2-CE3 3.77Å; I17-W86 HydrophobicContact CG2-CG 3.49Å; I17-W86 VanDerWaalsContact CG2-CG 3.49Å; I17-W86 HydrophobicContact CG2-CZ3 4.48Å; I17-Y91 HydrophobicContact CD1-CE2 4.06Å; I17-Y91 HydrophobicContact CG2-CE1 4.4Å |
| 18 | G | 95 | Very high | 92.5 | Very high | 68 Ų | 68 | 61.5 Ų | 61.5 | 70% | 0.701 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 7.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | T15 F16 | T15-G18 VanDerWaalsContact CG2-CA 3.47Å; F16-G18 PolarHBondContact O-N 2.76Å |
| 19 | R | 97.2 | Very high | 92.1 | Very high | 94 Ų | 94 | 63 Ų | 63 | 36% | 0.355 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128 | -33 | -172.3 | -174 | 177.3 | -176.2 | -180 | 7.7 | 114.4 | F16 I17 E39 I40 E82 | F16-R19 PolarHBondContact O-N 2.77Å; I17-R19 HydrophobicContact CG1-CB 4.26Å; I17-R19 PolarHBondContact O-N 3.5Å; I17-R19 VanDerWaalsContact O-N 3.1Å; R19-E39 HydrophobicContact CG-CG 4.21Å; R19-E39 IonicContact CZ-OE1 2.85Å; R19-E39 VanDerWaalsContact CZ-OE1 3.28Å; R19-E39 IonicContact NE-OE1 2.63Å; R19-E39 PolarHBondContact NE-OE1 3.35Å; R19-E39 IonicContact NH2-OE1 2.94Å; R19-E39 PolarHBondContact NH2-OE1 3Å; R19-I40 WeakPolarHBondContact O-CG1 3.3Å; R19-I40 PolarHBondContact O-N 3.29Å; R19-E82 IonicContact CZ-OE1 3.09Å; R19-E82 IonicContact NE-OE1 2.71Å; R19-E82 IonicContact NH1-OE1 3.6Å; R19-E82 PolarHBondContact NH1-OE1 2.78Å |
| 20 | Y | 98.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 110.9 | -170.6 | -66.9 | -75.2 | 0 | 0 | 0 | 110.8 | T15 F16 I17 V37 K38 E39 Y46 E82 V93 | T15-Y20 CarbonylContact C-O 3.54Å; T15-Y20 WeakPolarHBondContact CA-O 3.44Å; F16-Y20 PolarHBondContact N-O 2.61Å; F16-Y20 PolarHBondContact O-N 2.71Å; I17-Y20 HydrophobicContact CD1-CD2 3.81Å; I17-Y20 HydrophobicContact CD1-CE2 3.85Å; I17-Y20 HydrophobicContact CG1-CD2 3.81Å; I17-Y20 HydrophobicContact CG1-CE2 4.34Å; Y20-V37 HydrophobicContact CD1-CB 4.48Å; Y20-V37 HydrophobicContact CD1-CG2 3.8Å; Y20-V37 HydrophobicContact CG-CG2 4.2Å; Y20-K38 WeakPolarHBondContact CA-O 3.46Å; Y20-E39 HydrophobicContact CD1-CB 4.02Å; Y20-E39 HydrophobicContact CE1-CB 3.78Å; Y20-E39 HydrophobicContact CE1-CG 4.18Å; Y20-Y46 HydrophobicContact CD1-CD2 4.37Å; Y20-Y46 AromaticContact CE1-CD2 3.8Å; Y20-Y46 HydrophobicContact CE1-CD2 3.8Å; Y20-Y46 HydrophobicContact CE1-CE2 4.18Å; Y20-E82 HydrophobicContact CE2-CG 4.33Å; Y20-E82 WeakPolarHBondContact CE2-OE1 3.45Å; Y20-E82 VanDerWaalsContact CZ-OE1 3.24Å; Y20-E82 PolarHBondContact OH-OE1 3.34Å; Y20-V93 HydrophobicContact CD2-CG2 4.31Å; Y20-V93 HydrophobicContact CE1-CG1 3.9Å; Y20-V93 HydrophobicContact CE2-CG2 3.91Å |
| 21 | K | 98.3 | Very high | 90.9 | Very high | 68 Ų | 68 | 67.3 Ų | 67.3 | 30% | 0.296 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 128.7 | 171.8 | -174.9 | 177.4 | -179.8 | 179.7 | 0 | 109.7 | E13 T14 L23 V37 K38 I40 | E13-K21 WeakPolarHBondContact OE1-CE 3.4Å; E13-K21 IonicContact OE1-NZ 2.76Å; E13-K21 WeakPolarHBondContact OE2-CE 3.47Å; E13-K21 IonicContact OE2-NZ 3.54Å; E13-K21 PolarHBondContact OE2-NZ 2.83Å; T14-K21 CarbonylContact O-C 3.56Å; T14-K21 WeakPolarHBondContact O-CA 3.46Å; K21-L23 HydrophobicContact CD-CD2 4.44Å; K21-L23 HydrophobicContact CG-CD2 4.32Å; K21-V37 CarbonylContact O-C 3.58Å; K21-V37 VanDerWaalsContact O-CA 3.22Å; K21-V37 WeakPolarHBondContact O-CA 3.5Å; K21-V37 WeakPolarHBondContact O-CB 3.39Å; K21-K38 PolarHBondContact N-O 3.26Å; K21-K38 PolarHBondContact O-N 3.43Å; K21-I40 HydrophobicContact CB-CG1 4.32Å |
| 22 | I | 97.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 122.7 | -179.6 | -54.4 | -174.8 | 0 | 0 | 0 | 109.2 | L10 E13 T14 F16 Y35 V37 | L10-I22 HydrophobicContact CB-CD1 3.27Å; L10-I22 HydrophobicContact CD1-CD1 3.52Å; L10-I22 HydrophobicContact CG-CD1 3.96Å; E13-I22 PolarHBondContact N-O 2.88Å; T14-I22 PolarHBondContact O-N 2.83Å; F16-I22 HydrophobicContact CB-CD1 4.2Å; F16-I22 HydrophobicContact CB-CG1 4.24Å; I22-Y35 HydrophobicContact CG2-CD1 3.89Å; I22-Y35 HydrophobicContact CG2-CG 4.33Å; I22-V37 HydrophobicContact CG1-CG1 4.33Å |
| 23 | L | 97.6 | Very high | 90.7 | Very high | 43 Ų | 43 | 58.2 Ų | 58.2 | 23% | 0.225 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | -53.2 | -176.8 | -56.4 | -173.1 | 0 | 0 | 0 | 111.8 | T12 K21 E36 K38 H45 | T12-L23 VanDerWaalsContact CG2-O 3.32Å; T12-L23 WeakPolarHBondContact CG2-O 3.31Å; K21-L23 HydrophobicContact CD-CD2 4.44Å; K21-L23 HydrophobicContact CG-CD2 4.32Å; L23-E36 HydrophobicContact CB-CB 4.49Å; L23-E36 HydrophobicContact CD1-CG 4.25Å; L23-E36 PolarHBondContact N-O 2.76Å; L23-K38 HydrophobicContact CD1-CB 4.09Å; L23-K38 HydrophobicContact CD2-CB 4.17Å; L23-K38 HydrophobicContact CG-CB 4.24Å; L23-H45 WeakPolarHBondContact CD1-CE1 3.28Å |
| 24 | K | 96.1 | Very high | 90.8 | Very high | 108 Ų | 108 | 54.2 Ų | 54.2 | 47% | 0.47 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.1 | 156.6 | 180 | 60.9 | 178.3 | 172.9 | -173 | 0 | 111.5 | L26 Y35 E36 | K24-L26 HydrophobicContact CG-CD2 4.47Å; K24-Y35 CarbonylContact O-C 3.57Å; K24-Y35 VanDerWaalsContact O-CA 3.29Å; K24-Y35 WeakPolarHBondContact O-CA 3Å; K24-E36 WeakPolarHBondContact CE-OE2 3.22Å; K24-E36 HydrophobicContact CG-CB 3.99Å; K24-E36 IonicContact NZ-OE2 2.68Å; K24-E36 PolarHBondContact NZ-OE2 2.88Å; K24-E36 PolarHBondContact O-N 3.38Å |
| 25 | K | 94.8 | Very high | 90.9 | Very high | 116 Ų | 116 | 52 Ų | 52 | 50% | 0.504 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 128 | 166.9 | -170.7 | 179.1 | 178.1 | -173 | 0 | 109.4 | G27 Y35 | K25-G27 WeakPolarHBondContact CE-O 3.37Å; K25-Y35 HydrophobicContact CB-CD1 3.98Å; K25-Y35 HydrophobicContact CB-CE1 3.91Å; K25-Y35 HydrophobicContact CG-CD1 4.37Å; K25-Y35 HydrophobicContact CG-CE1 4.1Å |
| 26 | L | 92.3 | Very high | 91 | Very high | 79 Ų | 79 | 49.9 Ų | 49.9 | 41% | 0.414 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -32.9 | 174.7 | -67 | 175.6 | 0 | 0 | 0 | 111.7 | K24 V34 E36 L96 | K24-L26 HydrophobicContact CG-CD2 4.47Å; L26-V34 HydrophobicContact CB-CB 4.46Å; L26-V34 HydrophobicContact CB-CG1 4.29Å; L26-V34 HydrophobicContact CD1-CG1 4.25Å; L26-V34 PolarHBondContact N-O 3.12Å; L26-E36 HydrophobicContact CD1-CB 3.98Å; L26-E36 HydrophobicContact CD2-CB 4.02Å; L26-E36 HydrophobicContact CG-CB 3.96Å; L26-L96 HydrophobicContact CD1-CD1 3.67Å |
| 27 | G | 87.3 | Confident | 91.1 | Very high | 29 Ų | 29 | 49.5 Ų | 49.5 | 30% | 0.299 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.9 | 179.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K25 V34 | K25-G27 WeakPolarHBondContact CE-O 3.37Å; G27-V34 PolarHBondContact N-O 3.48Å; G27-V34 PolarHBondContact O-N 2.99Å |
| 28 | G | 78.9 | Confident | 91.2 | Very high | 52 Ų | 52 | 50.7 Ų | 50.7 | 54% | 0.536 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.5 | 137.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | G32 | G28-G32 CarbonylContact C-O 3.48Å; G28-G32 VanDerWaalsContact CA-O 3.27Å; G28-G32 WeakPolarHBondContact CA-O 3.33Å |
| 29 | G | 69.4 | Low | 91.3 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 60% | 0.598 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.4 | -167.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y31 G32 | G29-Y31 PolarHBondContact O-N 2.91Å; G29-G32 PolarHBondContact N-O 2.9Å |
| 30 | T | 70.2 | Confident | 91.3 | Very high | 127 Ų | 127 | 47.5 Ų | 47.5 | 78% | 0.779 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -36.1 | 178.9 | -46.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 31 | Y | 77.1 | Confident | 91.2 | Very high | 62 Ų | 62 | 56.8 Ų | 56.8 | 24% | 0.243 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -11.6 | -168.2 | -50.9 | -68.3 | 0 | 0 | 0 | 114.3 | G29 E51 D57 V59 L165 | G29-Y31 PolarHBondContact O-N 2.91Å; Y31-E51 WeakPolarHBondContact O-CB 3.49Å; Y31-D57 HydrophobicContact CD1-CB 4.31Å; Y31-D57 HydrophobicContact CE1-CB 4.29Å; Y31-V59 HydrophobicContact CD1-CG2 4.44Å; Y31-V59 HydrophobicContact CD2-CG2 4.18Å; Y31-V59 HydrophobicContact CG-CG2 3.85Å; Y31-L165 HydrophobicContact CE2-CD2 3.94Å; Y31-L165 HydrophobicContact CE2-CG 4.43Å |
| 32 | G | 86.1 | Confident | 91.1 | Very high | 8 Ų | 8 | 59.7 Ų | 59.7 | 8% | 0.082 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.8 | 177.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115 | G28 G29 I50 | G28-G32 CarbonylContact C-O 3.48Å; G28-G32 VanDerWaalsContact CA-O 3.27Å; G28-G32 WeakPolarHBondContact CA-O 3.33Å; G29-G32 PolarHBondContact N-O 2.9Å; G32-I50 CarbonylContact C-O 3.52Å; G32-I50 WeakPolarHBondContact CA-O 3.26Å |
| 33 | K | 92.9 | Very high | 91 | Very high | 29 Ų | 29 | 64.8 Ų | 64.8 | 13% | 0.126 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 146.4 | 179.1 | -66.1 | 179.7 | -165.7 | 162.4 | 0 | 110.1 | E5 L8 S9 Y35 K49 I50 | E5-K33 PolarHBondContact O-NZ 2.98Å; L8-K33 HydrophobicContact CB-CD 4.06Å; L8-K33 VanDerWaalsContact O-CD 3.28Å; L8-K33 WeakPolarHBondContact O-CD 3.24Å; S9-K33 PolarHBondContact OG-NZ 3.09Å; K33-Y35 HydrophobicContact CB-CD2 4.46Å; K33-Y35 HydrophobicContact CB-CE2 3.59Å; K33-Y35 WeakPolarHBondContact CD-OH 3.31Å; K33-K49 WeakPolarHBondContact O-CA 3.37Å; K33-I50 HydrophobicContact CB-CG1 4.32Å; K33-I50 PolarHBondContact N-O 2.88Å; K33-I50 PolarHBondContact O-N 3.44Å |
| 34 | V | 94.7 | Very high | 90.9 | Very high | 33 Ų | 33 | 68.3 Ų | 68.3 | 20% | 0.2 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 132.7 | 179.5 | -170.8 | 0 | 0 | 0 | 0 | 108.8 | L26 G27 A47 L48 K49 | L26-V34 HydrophobicContact CB-CB 4.46Å; L26-V34 HydrophobicContact CB-CG1 4.29Å; L26-V34 HydrophobicContact CD1-CG1 4.25Å; L26-V34 PolarHBondContact N-O 3.12Å; G27-V34 PolarHBondContact N-O 3.48Å; G27-V34 PolarHBondContact O-N 2.99Å; V34-A47 HydrophobicContact CG1-CB 4.35Å; V34-L48 CarbonylContact C-O 3.47Å; V34-L48 VanDerWaalsContact CA-O 3.31Å; V34-L48 WeakPolarHBondContact CA-O 3.42Å; V34-K49 HydrophobicContact CG2-CB 4.09Å; V34-K49 HydrophobicContact CG2-CD 4.15Å; V34-K49 HydrophobicContact CG2-CG 3.87Å |
| 35 | Y | 97 | Very high | 91 | Very high | 7 Ų | 7 | 66.5 Ų | 66.5 | 3% | 0.027 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 147.8 | -179.6 | -60.2 | -94.8 | 0 | 0 | 0 | 110.4 | L8 L10 I22 K24 K25 K33 A47 L48 I50 | L8-Y35 PolarHBondContact O-OH 2.77Å; L10-Y35 HydrophobicContact CB-CE1 4.26Å; L10-Y35 HydrophobicContact CB-CE2 4.4Å; L10-Y35 HydrophobicContact CD1-CD2 4.34Å; L10-Y35 HydrophobicContact CD1-CE2 4.21Å; L10-Y35 HydrophobicContact CG-CE2 4.26Å; L10-Y35 PolarHBondContact N-OH 3.36Å; L10-Y35 VanDerWaalsContact N-OH 3.13Å; I22-Y35 HydrophobicContact CG2-CD1 3.89Å; I22-Y35 HydrophobicContact CG2-CG 4.33Å; K24-Y35 CarbonylContact O-C 3.57Å; K24-Y35 VanDerWaalsContact O-CA 3.29Å; K24-Y35 WeakPolarHBondContact O-CA 3Å; K25-Y35 HydrophobicContact CB-CD1 3.98Å; K25-Y35 HydrophobicContact CB-CE1 3.91Å; K25-Y35 HydrophobicContact CG-CD1 4.37Å; K25-Y35 HydrophobicContact CG-CE1 4.1Å; K33-Y35 HydrophobicContact CB-CD2 4.46Å; K33-Y35 HydrophobicContact CB-CE2 3.59Å; K33-Y35 WeakPolarHBondContact CD-OH 3.31Å; Y35-A47 CarbonylContact O-C 3.5Å; Y35-A47 WeakPolarHBondContact O-CA 3.39Å; Y35-L48 PolarHBondContact N-O 3.26Å; Y35-L48 PolarHBondContact O-N 2.84Å; Y35-I50 HydrophobicContact CD2-CD1 4.48Å; Y35-I50 HydrophobicContact CE2-CD1 3.72Å; Y35-I50 HydrophobicContact CE2-CG1 4.09Å |
| 36 | E | 97.7 | Very high | 91.2 | Very high | 25 Ų | 25 | 61.4 Ų | 61.4 | 12% | 0.117 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 129.5 | 161.2 | -170.2 | 177.3 | 151.2 | 0 | 0 | 107.9 | L23 K24 L26 H45 L96 | L23-E36 HydrophobicContact CB-CB 4.49Å; L23-E36 HydrophobicContact CD1-CG 4.25Å; L23-E36 PolarHBondContact N-O 2.76Å; K24-E36 WeakPolarHBondContact CE-OE2 3.22Å; K24-E36 HydrophobicContact CG-CB 3.99Å; K24-E36 IonicContact NZ-OE2 2.68Å; K24-E36 PolarHBondContact NZ-OE2 2.88Å; K24-E36 PolarHBondContact O-N 3.38Å; L26-E36 HydrophobicContact CD1-CB 3.98Å; L26-E36 HydrophobicContact CD2-CB 4.02Å; L26-E36 HydrophobicContact CG-CB 3.96Å; E36-H45 IonicContact OE1-CE1 3.28Å; E36-H45 PolarHBondContact OE1-CE1 2.78Å; E36-H45 IonicContact OE1-CG 3.92Å; E36-H45 IonicContact OE1-ND1 3.03Å; E36-H45 PolarHBondContact OE1-ND1 2.75Å; E36-L96 HydrophobicContact CG-CD1 4.29Å; E36-L96 HydrophobicContact CG-CD2 3.88Å |
| 37 | V | 98.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 153.8 | 179 | -59 | 0 | 0 | 0 | 0 | 111.1 | Y20 K21 I22 H45 Y46 L48 | Y20-V37 HydrophobicContact CD1-CB 4.48Å; Y20-V37 HydrophobicContact CD1-CG2 3.8Å; Y20-V37 HydrophobicContact CG-CG2 4.2Å; K21-V37 CarbonylContact O-C 3.58Å; K21-V37 VanDerWaalsContact O-CA 3.22Å; K21-V37 WeakPolarHBondContact O-CA 3.5Å; K21-V37 WeakPolarHBondContact O-CB 3.39Å; I22-V37 HydrophobicContact CG1-CG1 4.33Å; V37-H45 CarbonylContact O-C 3.6Å; V37-H45 VanDerWaalsContact O-CA 3.31Å; V37-H45 WeakPolarHBondContact O-CA 3.44Å; V37-Y46 PolarHBondContact N-O 2.9Å; V37-Y46 PolarHBondContact O-N 3.42Å; V37-L48 HydrophobicContact CB-CB 4.41Å; V37-L48 HydrophobicContact CG1-CB 3.53Å; V37-L48 HydrophobicContact CG1-CD2 3.79Å; V37-L48 HydrophobicContact CG1-CG 4.31Å; V37-L48 HydrophobicContact CG2-CB 3.95Å |
| 38 | K | 98.3 | Very high | 91.9 | Very high | 58 Ų | 58 | 56.6 Ų | 56.6 | 25% | 0.252 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 120 | 176.1 | -171.5 | 174.6 | -178 | -178.4 | 0 | 110 | Y20 K21 L23 I40 N43 K44 | Y20-K38 WeakPolarHBondContact CA-O 3.46Å; K21-K38 PolarHBondContact N-O 3.26Å; K21-K38 PolarHBondContact O-N 3.43Å; L23-K38 HydrophobicContact CD1-CB 4.09Å; L23-K38 HydrophobicContact CD2-CB 4.17Å; L23-K38 HydrophobicContact CG-CB 4.24Å; K38-I40 PolarHBondContact O-N 3.26Å; K38-N43 VanDerWaalsContact CE-CG 3.47Å; K38-N43 WeakPolarHBondContact CE-OD1 3.16Å; K38-N43 PolarHBondContact NZ-OD1 2.87Å; K38-K44 WeakPolarHBondContact CA-O 3.36Å |
| 39 | E | 98.1 | Very high | 92.7 | Very high | 3 Ų | 3 | 55 Ų | 55 | 1% | 0.014 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 117.9 | 171 | -178.5 | 178.9 | -172 | 0 | 0 | 109.1 | R19 Y20 K41 K42 N43 K44 Y46 | R19-E39 HydrophobicContact CG-CG 4.21Å; R19-E39 IonicContact CZ-OE1 2.85Å; R19-E39 VanDerWaalsContact CZ-OE1 3.28Å; R19-E39 IonicContact NE-OE1 2.63Å; R19-E39 PolarHBondContact NE-OE1 3.35Å; R19-E39 IonicContact NH2-OE1 2.94Å; R19-E39 PolarHBondContact NH2-OE1 3Å; Y20-E39 HydrophobicContact CD1-CB 4.02Å; Y20-E39 HydrophobicContact CE1-CB 3.78Å; Y20-E39 HydrophobicContact CE1-CG 4.18Å; E39-K41 PolarHBondContact O-N 3.01Å; E39-K42 HydrophobicContact CG-CB 4.26Å; E39-K42 HydrophobicContact CG-CG 4.37Å; E39-K42 PolarHBondContact O-N 3.43Å; E39-K42 VanDerWaalsContact OE1-CE 3.3Å; E39-K42 WeakPolarHBondContact OE1-CE 3.38Å; E39-K42 IonicContact OE1-NZ 3.74Å; E39-K42 VanDerWaalsContact OE2-CD 3.24Å; E39-K42 WeakPolarHBondContact OE2-CD 3.22Å; E39-K42 IonicContact OE2-NZ 3.82Å; E39-N43 WeakPolarHBondContact O-CA 3.18Å; E39-N43 PolarHBondContact O-N 2.72Å; E39-K44 PolarHBondContact N-O 3.01Å; E39-Y46 HydrophobicContact CB-CD2 4.08Å; E39-Y46 HydrophobicContact CB-CE2 3.63Å; E39-Y46 VanDerWaalsContact OE2-CE2 3.31Å; E39-Y46 WeakPolarHBondContact OE2-CE2 3.22Å; E39-Y46 PolarHBondContact OE2-OH 2.94Å; E39-Y46 VanDerWaalsContact OE2-OH 3.11Å |
| 40 | I | 96.8 | Very high | 93.9 | Very high | 91 Ų | 91 | 52.2 Ų | 52.2 | 47% | 0.467 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -47.2 | -168.9 | -66.1 | 165.6 | 0 | 0 | 0 | 111.3 | T15 R19 K21 K38 | T15-I40 HydrophobicContact CG2-CD1 3.62Å; R19-I40 WeakPolarHBondContact O-CG1 3.3Å; R19-I40 PolarHBondContact O-N 3.29Å; K21-I40 HydrophobicContact CB-CG1 4.32Å; K38-I40 PolarHBondContact O-N 3.26Å |
| 41 | K | 96 | Very high | 95 | Very high | 196 Ų | 196 | 46.3 Ų | 46.3 | 85% | 0.852 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -38.8 | -175.2 | -66.3 | -172.7 | 178.7 | -177.7 | 0 | 113.5 | E39 | E39-K41 PolarHBondContact O-N 3.01Š|
| 42 | K | 95.8 | Very high | 95.6 | Very high | 129 Ų | 129 | 44.7 Ų | 44.7 | 56% | 0.561 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.8 | -6 | -175.2 | -60.5 | -167.7 | -161.8 | 161.8 | 0 | 113.5 | E39 K44 | E39-K42 HydrophobicContact CG-CB 4.26Å; E39-K42 HydrophobicContact CG-CG 4.37Å; E39-K42 PolarHBondContact O-N 3.43Å; E39-K42 VanDerWaalsContact OE1-CE 3.3Å; E39-K42 WeakPolarHBondContact OE1-CE 3.38Å; E39-K42 IonicContact OE1-NZ 3.74Å; E39-K42 VanDerWaalsContact OE2-CD 3.24Å; E39-K42 WeakPolarHBondContact OE2-CD 3.22Å; E39-K42 IonicContact OE2-NZ 3.82Å; K42-K44 HydrophobicContact CB-CB 4.22Å; K42-K44 PolarHBondContact O-N 2.77Å |
| 43 | N | 95 | Very high | 95.7 | Very high | 108 Ų | 108 | 46 Ų | 46 | 58% | 0.578 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 26.6 | -176 | -159.7 | 59.7 | 0 | 0 | 0 | 112.9 | K38 E39 | K38-N43 VanDerWaalsContact CE-CG 3.47Å; K38-N43 WeakPolarHBondContact CE-OD1 3.16Å; K38-N43 PolarHBondContact NZ-OD1 2.87Å; E39-N43 WeakPolarHBondContact O-CA 3.18Å; E39-N43 PolarHBondContact O-N 2.72Å |
| 44 | K | 96.9 | Very high | 95.1 | Very high | 116 Ų | 116 | 48.6 Ų | 48.6 | 50% | 0.504 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 140.5 | -172.8 | -175.4 | 166.9 | 174 | -176.2 | 0 | 111.1 | K38 E39 K42 Y46 | K38-K44 WeakPolarHBondContact CA-O 3.36Å; E39-K44 PolarHBondContact N-O 3.01Å; K42-K44 HydrophobicContact CB-CB 4.22Å; K42-K44 PolarHBondContact O-N 2.77Å; K44-Y46 HydrophobicContact CB-CE2 4.08Å; K44-Y46 HydrophobicContact CD-CE1 4.18Å; K44-Y46 WeakPolarHBondContact CD-OH 3.49Å; K44-Y46 HydrophobicContact CG-CE1 4.24Å; K44-Y46 HydrophobicContact CG-CE2 4.09Å |
| 45 | H | 97.9 | Very high | 94.4 | Very high | 71 Ų | 71 | 50 Ų | 50 | 33% | 0.329 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 142.7 | -177.3 | -69.6 | -133.8 | 0 | 0 | 0 | 111.5 | L23 E36 V37 L96 | L23-H45 WeakPolarHBondContact CD1-CE1 3.28Å; E36-H45 IonicContact OE1-CE1 3.28Å; E36-H45 PolarHBondContact OE1-CE1 2.78Å; E36-H45 IonicContact OE1-CG 3.92Å; E36-H45 IonicContact OE1-ND1 3.03Å; E36-H45 PolarHBondContact OE1-ND1 2.75Å; V37-H45 CarbonylContact O-C 3.6Å; V37-H45 VanDerWaalsContact O-CA 3.31Å; V37-H45 WeakPolarHBondContact O-CA 3.44Å; H45-L96 HydrophobicContact CB-CD2 3.94Å |
| 46 | Y | 98 | Very high | 93.3 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 166.6 | 179.9 | -60.2 | -73.3 | 0 | 0 | 0 | 110.6 | Y20 V37 E39 K44 I81 V93 M94 | Y20-Y46 HydrophobicContact CD1-CD2 4.37Å; Y20-Y46 AromaticContact CE1-CD2 3.8Å; Y20-Y46 HydrophobicContact CE1-CD2 3.8Å; Y20-Y46 HydrophobicContact CE1-CE2 4.18Å; V37-Y46 PolarHBondContact N-O 2.9Å; V37-Y46 PolarHBondContact O-N 3.42Å; E39-Y46 HydrophobicContact CB-CD2 4.08Å; E39-Y46 HydrophobicContact CB-CE2 3.63Å; E39-Y46 VanDerWaalsContact OE2-CE2 3.31Å; E39-Y46 WeakPolarHBondContact OE2-CE2 3.22Å; E39-Y46 PolarHBondContact OE2-OH 2.94Å; E39-Y46 VanDerWaalsContact OE2-OH 3.11Å; K44-Y46 HydrophobicContact CB-CE2 4.08Å; K44-Y46 HydrophobicContact CD-CE1 4.18Å; K44-Y46 WeakPolarHBondContact CD-OH 3.49Å; K44-Y46 HydrophobicContact CG-CE1 4.24Å; K44-Y46 HydrophobicContact CG-CE2 4.09Å; Y46-I81 HydrophobicContact CD1-CD1 4.13Å; Y46-I81 HydrophobicContact CD1-CG1 3.65Å; Y46-I81 HydrophobicContact CE1-CD1 3.66Å; Y46-I81 HydrophobicContact CE1-CG1 3.62Å; Y46-I81 HydrophobicContact CE1-CG2 4.32Å; Y46-V93 HydrophobicContact CD2-CG1 4.38Å; Y46-V93 HydrophobicContact CG-CG1 3.95Å; Y46-M94 WeakPolarHBondContact CB-O 3.41Å |
| 47 | A | 97.7 | Very high | 92.1 | Very high | 7 Ų | 7 | 62.8 Ų | 62.8 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | V34 Y35 V93 M94 L96 | V34-A47 HydrophobicContact CG1-CB 4.35Å; Y35-A47 CarbonylContact O-C 3.5Å; Y35-A47 WeakPolarHBondContact O-CA 3.39Å; A47-V93 CarbonylContact O-C 3.56Å; A47-V93 WeakPolarHBondContact O-CA 3.48Å; A47-M94 HydrophobicContact CB-CE 4.27Å; A47-M94 HydrophobicContact CB-CG 3.94Å; A47-M94 PolarHBondContact N-O 3.04Å; A47-M94 PolarHBondContact O-N 3.23Å; A47-L96 HydrophobicContact CB-CD1 4.12Å |
| 48 | L | 97.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.5 | 171.5 | 170.5 | 66.2 | 0 | 0 | 0 | 108.1 | L10 F16 V34 Y35 V37 I50 Y91 V92 V93 | L10-L48 HydrophobicContact CD1-CD2 3.95Å; F16-L48 HydrophobicContact CB-CD2 4.22Å; F16-L48 HydrophobicContact CD1-CD1 4.03Å; F16-L48 HydrophobicContact CD1-CD2 3.67Å; F16-L48 HydrophobicContact CD2-CD2 4.32Å; F16-L48 HydrophobicContact CE1-CD1 3.81Å; F16-L48 HydrophobicContact CE1-CD2 4.1Å; F16-L48 HydrophobicContact CG-CD2 3.81Å; V34-L48 CarbonylContact C-O 3.47Å; V34-L48 VanDerWaalsContact CA-O 3.31Å; V34-L48 WeakPolarHBondContact CA-O 3.42Å; Y35-L48 PolarHBondContact N-O 3.26Å; Y35-L48 PolarHBondContact O-N 2.84Å; V37-L48 HydrophobicContact CB-CB 4.41Å; V37-L48 HydrophobicContact CG1-CB 3.53Å; V37-L48 HydrophobicContact CG1-CD2 3.79Å; V37-L48 HydrophobicContact CG1-CG 4.31Å; V37-L48 HydrophobicContact CG2-CB 3.95Å; L48-I50 HydrophobicContact CD1-CG2 3.98Å; L48-I50 HydrophobicContact CD2-CG2 4.26Å; L48-I50 HydrophobicContact CG-CG2 3.94Å; L48-Y91 HydrophobicContact CD1-CD2 4.18Å; L48-Y91 HydrophobicContact CD1-CG 4.39Å; L48-V92 WeakPolarHBondContact CA-O 3.4Å; L48-V93 HydrophobicContact CD1-CG2 3.93Å |
| 49 | K | 95.4 | Very high | 90.8 | Very high | 18 Ų | 18 | 62.9 Ų | 62.9 | 8% | 0.078 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 134.4 | 169.7 | -176 | 176.8 | -173.5 | 177.9 | 0 | 109 | K33 V34 L60 E63 Y91 V92 M94 D162 | K33-K49 WeakPolarHBondContact O-CA 3.37Å; V34-K49 HydrophobicContact CG2-CB 4.09Å; V34-K49 HydrophobicContact CG2-CD 4.15Å; V34-K49 HydrophobicContact CG2-CG 3.87Å; K49-L60 HydrophobicContact CB-CD1 4.3Å; K49-L60 HydrophobicContact CD-CD1 3.76Å; K49-L60 HydrophobicContact CG-CD1 3.67Å; K49-E63 IonicContact NZ-OE1 3.35Å; K49-E63 PolarHBondContact NZ-OE1 3.35Å; K49-E63 IonicContact NZ-OE2 2.82Å; K49-E63 PolarHBondContact NZ-OE2 2.89Å; K49-Y91 CarbonylContact O-C 3.6Å; K49-Y91 VanDerWaalsContact O-CA 3.31Å; K49-Y91 WeakPolarHBondContact O-CA 3.36Å; K49-V92 HydrophobicContact CB-CG1 3.7Å; K49-V92 HydrophobicContact CG-CG1 4.5Å; K49-V92 PolarHBondContact N-O 3.49Å; K49-V92 PolarHBondContact O-N 2.79Å; K49-M94 HydrophobicContact CB-CE 3.89Å; K49-M94 HydrophobicContact CD-CE 4.44Å; K49-D162 IonicContact NZ-OD1 2.7Å; K49-D162 PolarHBondContact NZ-OD1 3.31Å |
| 50 | I | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 149.9 | 179.1 | 64.9 | 176.5 | 0 | 0 | 0 | 110.8 | L8 L10 F16 G32 K33 Y35 L48 L89 N90 | L8-I50 HydrophobicContact CD2-CD1 4.4Å; L8-I50 HydrophobicContact CD2-CG1 4.26Å; L8-I50 WeakPolarHBondContact O-CD1 3.35Å; L10-I50 HydrophobicContact CD1-CD1 3.69Å; L10-I50 HydrophobicContact CD1-CG2 4.41Å; L10-I50 HydrophobicContact CD2-CD1 4.34Å; L10-I50 HydrophobicContact CG-CD1 3.71Å; F16-I50 HydrophobicContact CZ-CG2 4.39Å; G32-I50 CarbonylContact C-O 3.52Å; G32-I50 WeakPolarHBondContact CA-O 3.26Å; K33-I50 HydrophobicContact CB-CG1 4.32Å; K33-I50 PolarHBondContact N-O 2.88Å; K33-I50 PolarHBondContact O-N 3.44Å; Y35-I50 HydrophobicContact CD2-CD1 4.48Å; Y35-I50 HydrophobicContact CE2-CD1 3.72Å; Y35-I50 HydrophobicContact CE2-CG1 4.09Å; L48-I50 HydrophobicContact CD1-CG2 3.98Å; L48-I50 HydrophobicContact CD2-CG2 4.26Å; L48-I50 HydrophobicContact CG-CG2 3.94Å; I50-L89 HydrophobicContact CD1-CD1 4.13Å; I50-N90 VanDerWaalsContact CA-O 3.29Å; I50-N90 WeakPolarHBondContact CA-O 3.39Å |
| 51 | E | 92.8 | Very high | 90.2 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.019 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 164.2 | 167.7 | 65.6 | 174.7 | -163 | 0 | 0 | 109.5 | Y31 S58 V59 L60 L89 N90 | Y31-E51 WeakPolarHBondContact O-CB 3.49Å; E51-S58 WeakPolarHBondContact OE1-CA 2.76Å; E51-S58 WeakPolarHBondContact OE1-CB 3.32Å; E51-S58 PolarHBondContact OE1-OG 2.84Å; E51-V59 PolarHBondContact OE2-N 2.89Å; E51-L60 HydrophobicContact CG-CB 3.88Å; E51-L60 HydrophobicContact CG-CD1 4.48Å; E51-L60 HydrophobicContact CG-CD2 4.43Å; E51-L60 VanDerWaalsContact OE1-CB 3.29Å; E51-L60 WeakPolarHBondContact OE1-CB 3.24Å; E51-L60 PolarHBondContact OE1-N 2.66Å; E51-L60 PolarHBondContact OE2-N 3.47Å; E51-L89 WeakPolarHBondContact O-CA 3.25Å; E51-L89 WeakPolarHBondContact O-CD2 3.31Å; E51-N90 HydrophobicContact CG-CB 3.72Å; E51-N90 PolarHBondContact N-O 3.44Å; E51-N90 PolarHBondContact O-N 2.92Å; E51-N90 PolarHBondContact OE1-ND2 2.72Å |
| 52 | L | 90.6 | Very high | 90 | Very high | 27 Ų | 27 | 58.6 Ų | 58.6 | 14% | 0.141 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 133 | 172.1 | -73.7 | 160.7 | 0 | 0 | 0 | 109.8 | D4 V7 L8 T55 L89 | D4-L52 HydrophobicContact CB-CD1 3.66Å; V7-L52 HydrophobicContact CB-CD2 4.17Å; V7-L52 HydrophobicContact CG1-CD2 3.74Å; L8-L52 HydrophobicContact CD1-CD1 3.74Å; L8-L52 HydrophobicContact CD1-CG 3.98Å; L8-L52 HydrophobicContact CD2-CG 4.09Å; L8-L52 HydrophobicContact CG-CD1 4.1Å; L8-L52 HydrophobicContact CG-CD2 4.39Å; L8-L52 HydrophobicContact CG-CG 3.86Å; L52-T55 HydrophobicContact CB-CG2 3.89Å; L52-T55 PolarHBondContact O-OG1 3.09Å; L52-L89 HydrophobicContact CD2-CD2 4.25Å |
| 53 | A | 87.5 | Confident | 89.9 | Confident | 36 Ų | 36 | 52.6 Ų | 52.6 | 30% | 0.298 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 147.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | T55 K88 | A53-T55 VanDerWaalsContact C-N 3.31Å; A53-T55 PolarHBondContact O-N 2.9Å; A53-K88 WeakPolarHBondContact CB-O 3.32Å; A53-K88 PolarHBondContact N-O 3.29Å |
| 54 | G | 81 | Confident | 89.9 | Confident | 83 Ų | 83 | 48.1 Ų | 48.1 | 86% | 0.856 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 5.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 55 | T | 80.5 | Confident | 89.7 | Confident | 63 Ų | 63 | 46.5 Ų | 46.5 | 39% | 0.387 | 26% | 0.263 | S | S | . | . | trans | -76.9 | 142.1 | 170.6 | 59.1 | 0 | 0 | 0 | 0 | 110.5 | L52 A53 D57 S58 | L52-T55 HydrophobicContact CB-CG2 3.89Å; L52-T55 PolarHBondContact O-OG1 3.09Å; A53-T55 VanDerWaalsContact C-N 3.31Å; A53-T55 PolarHBondContact O-N 2.9Å; T55-D57 PolarHBondContact O-N 2.78Å; T55-S58 VanDerWaalsContact O-CB 3.23Å; T55-S58 WeakPolarHBondContact O-CB 3.47Å; T55-S58 PolarHBondContact O-N 2.75Å; T55-S58 PolarHBondContact OG1-N 2.65Å | ||
| 56 | E | 74.2 | Confident | 89.6 | Confident | 202 Ų | 202 | 43.1 Ų | 43.1 | 94% | 0.944 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -30.9 | 175.3 | -68 | -171.5 | 162.5 | 0 | 0 | 112.3 | S58 | E56-S58 VanDerWaalsContact C-N 3.28Å; E56-S58 PolarHBondContact O-N 3.44Å |
| 57 | D | 72 | Confident | 89.5 | Confident | 98 Ų | 98 | 43 Ų | 43 | 52% | 0.524 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 20.1 | 176.7 | -66.5 | -50.7 | 0 | 0 | 0 | 113.8 | Y31 T55 V59 | Y31-D57 HydrophobicContact CD1-CB 4.31Å; Y31-D57 HydrophobicContact CE1-CB 4.29Å; T55-D57 PolarHBondContact O-N 2.78Å; D57-V59 WeakPolarHBondContact O-CG1 3.5Å; D57-V59 PolarHBondContact O-N 2.9Å; D57-V59 VanDerWaalsContact O-N 3.16Å |
| 58 | S | 81.8 | Confident | 89.4 | Confident | 38 Ų | 38 | 51 Ų | 51 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | trans | -64.8 | 114 | 175.1 | 170.1 | 0 | 0 | 0 | 0 | 110.4 | E51 T55 E56 N90 | E51-S58 WeakPolarHBondContact OE1-CA 2.76Å; E51-S58 WeakPolarHBondContact OE1-CB 3.32Å; E51-S58 PolarHBondContact OE1-OG 2.84Å; T55-S58 VanDerWaalsContact O-CB 3.23Å; T55-S58 WeakPolarHBondContact O-CB 3.47Å; T55-S58 PolarHBondContact O-N 2.75Å; T55-S58 PolarHBondContact OG1-N 2.65Å; E56-S58 VanDerWaalsContact C-N 3.28Å; E56-S58 PolarHBondContact O-N 3.44Å; S58-N90 PolarHBondContact OG-ND2 3.39Å | ||
| 59 | V | 87.9 | Confident | 89.3 | Confident | 22 Ų | 22 | 56.4 Ų | 56.4 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | trans | -112 | -17.6 | -175.9 | -65.9 | 0 | 0 | 0 | 0 | 112.6 | Y31 E51 D57 K61 V62 E63 G164 | Y31-V59 HydrophobicContact CD1-CG2 4.44Å; Y31-V59 HydrophobicContact CD2-CG2 4.18Å; Y31-V59 HydrophobicContact CG-CG2 3.85Å; E51-V59 PolarHBondContact OE2-N 2.89Å; D57-V59 WeakPolarHBondContact O-CG1 3.5Å; D57-V59 PolarHBondContact O-N 2.9Å; D57-V59 VanDerWaalsContact O-N 3.16Å; V59-K61 PolarHBondContact O-N 2.81Å; V59-K61 VanDerWaalsContact O-N 3.12Å; V59-V62 WeakPolarHBondContact O-CA 3.26Å; V59-V62 WeakPolarHBondContact O-CB 3.39Å; V59-V62 PolarHBondContact O-N 2.81Å; V59-E63 PolarHBondContact O-N 2.82Å; V59-E63 VanDerWaalsContact O-N 3.13Å; V59-G164 WeakPolarHBondContact CB-O 3.19Å; V59-G164 VanDerWaalsContact CG1-O 3.23Å; V59-G164 WeakPolarHBondContact CG1-O 3.06Å | ||
| 60 | L | 91.4 | Very high | 89.3 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.7 | -32.3 | -176.3 | -144.7 | 84.4 | 0 | 0 | 0 | 112.8 | K49 E51 V62 E63 V64 N90 V92 | K49-L60 HydrophobicContact CB-CD1 4.3Å; K49-L60 HydrophobicContact CD-CD1 3.76Å; K49-L60 HydrophobicContact CG-CD1 3.67Å; E51-L60 HydrophobicContact CG-CB 3.88Å; E51-L60 HydrophobicContact CG-CD1 4.48Å; E51-L60 HydrophobicContact CG-CD2 4.43Å; E51-L60 VanDerWaalsContact OE1-CB 3.29Å; E51-L60 WeakPolarHBondContact OE1-CB 3.24Å; E51-L60 PolarHBondContact OE1-N 2.66Å; E51-L60 PolarHBondContact OE2-N 3.47Å; L60-V62 VanDerWaalsContact C-N 3.3Å; L60-V62 PolarHBondContact O-N 3.19Å; L60-E63 PolarHBondContact O-N 2.88Å; L60-V64 WeakPolarHBondContact O-CG2 3.42Å; L60-V64 PolarHBondContact O-N 2.86Å; L60-N90 HydrophobicContact CB-CB 4.45Å; L60-N90 HydrophobicContact CD2-CB 3.9Å; L60-V92 HydrophobicContact CD1-CG1 3.94Å; L60-V92 HydrophobicContact CD2-CB 4.09Å; L60-V92 HydrophobicContact CD2-CG1 3.98Å; L60-V92 HydrophobicContact CG-CB 4.39Å; L60-V92 HydrophobicContact CG-CG1 3.96Å |
| 61 | K | 90.7 | Very high | 89 | Confident | 150 Ų | 150 | 63.1 Ų | 63.1 | 65% | 0.652 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.1 | -40.4 | 174.6 | -170.6 | 178.8 | 179.4 | 179.1 | 0 | 111.6 | V59 M65 | V59-K61 PolarHBondContact O-N 2.81Å; V59-K61 VanDerWaalsContact O-N 3.12Å; K61-M65 HydrophobicContact CG-CE 4.22Å; K61-M65 VanDerWaalsContact O-CG 3.31Å; K61-M65 WeakPolarHBondContact O-CG 3.36Å; K61-M65 PolarHBondContact O-N 2.89Å |
| 62 | V | 90.4 | Very high | 88.8 | Confident | 45 Ų | 45 | 68.7 Ų | 68.7 | 27% | 0.273 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -66.2 | -44.2 | 175.5 | 178.7 | 0 | 0 | 0 | 0 | 110.2 | V59 L60 V64 M65 I66 | V59-V62 WeakPolarHBondContact O-CA 3.26Å; V59-V62 WeakPolarHBondContact O-CB 3.39Å; V59-V62 PolarHBondContact O-N 2.81Å; L60-V62 VanDerWaalsContact C-N 3.3Å; L60-V62 PolarHBondContact O-N 3.19Å; V62-V64 VanDerWaalsContact C-N 3.35Å; V62-V64 PolarHBondContact O-N 3.33Å; V62-M65 HydrophobicContact CB-CE 4.42Å; V62-M65 HydrophobicContact CG2-CE 4.06Å; V62-M65 WeakPolarHBondContact O-CB 3.43Å; V62-M65 PolarHBondContact O-N 3.5Å; V62-M65 VanDerWaalsContact O-N 3.16Å; V62-I66 HydrophobicContact CG1-CD1 3.79Å; V62-I66 HydrophobicContact CG1-CG1 4.4Å; V62-I66 WeakPolarHBondContact O-CG1 3.27Å; V62-I66 PolarHBondContact O-N 3.17Å |
| 63 | E | 94 | Very high | 88.8 | Confident | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.019 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 177.1 | -54.5 | -165.2 | -166.6 | 0 | 0 | 111.7 | K49 V59 L60 M65 I66 M67 F163 G164 | K49-E63 IonicContact NZ-OE1 3.35Å; K49-E63 PolarHBondContact NZ-OE1 3.35Å; K49-E63 IonicContact NZ-OE2 2.82Å; K49-E63 PolarHBondContact NZ-OE2 2.89Å; V59-E63 PolarHBondContact O-N 2.82Å; V59-E63 VanDerWaalsContact O-N 3.13Å; L60-E63 PolarHBondContact O-N 2.88Å; E63-M65 VanDerWaalsContact C-N 3.33Å; E63-M65 PolarHBondContact O-N 2.8Å; E63-I66 PolarHBondContact O-N 3.08Å; E63-M67 WeakPolarHBondContact O-CB 3.31Å; E63-M67 VanDerWaalsContact O-CG 3.27Å; E63-M67 WeakPolarHBondContact O-CG 3.21Å; E63-M67 PolarHBondContact O-N 3.47Å; E63-F163 HydrophobicContact CB-CB 4.26Å; E63-F163 HydrophobicContact CG-CB 3.93Å; E63-G164 WeakPolarHBondContact OE1-CA 3.31Å; E63-G164 PolarHBondContact OE1-N 3.18Å; E63-G164 VanDerWaalsContact OE1-N 3.09Å |
| 64 | V | 94.7 | Very high | 89.2 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -62 | -40.7 | 177 | 172.2 | 0 | 0 | 0 | 0 | 111.4 | L60 V62 I66 M67 R68 L80 A83 V92 | L60-V64 WeakPolarHBondContact O-CG2 3.42Å; L60-V64 PolarHBondContact O-N 2.86Å; V62-V64 VanDerWaalsContact C-N 3.35Å; V62-V64 PolarHBondContact O-N 3.33Å; V64-I66 VanDerWaalsContact C-N 3.34Å; V64-I66 PolarHBondContact O-N 2.85Å; V64-M67 PolarHBondContact O-N 3.22Å; V64-R68 VanDerWaalsContact O-CG 3.28Å; V64-R68 WeakPolarHBondContact O-CG 3.42Å; V64-R68 PolarHBondContact O-N 3.5Å; V64-R68 VanDerWaalsContact O-N 3.08Å; V64-L80 HydrophobicContact CG1-CD2 4.09Å; V64-A83 HydrophobicContact CG1-CB 4.04Å; V64-A83 HydrophobicContact CG2-CB 3.59Å; V64-V92 HydrophobicContact CG2-CB 4.07Å; V64-V92 HydrophobicContact CG2-CG2 3.93Å |
| 65 | M | 94 | Very high | 89.9 | Confident | 82 Ų | 82 | 73.7 Ų | 73.7 | 40% | 0.404 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 176 | -76.7 | -173.4 | -67.4 | 0 | 0 | 112 | K61 V62 E63 | K61-M65 HydrophobicContact CG-CE 4.22Å; K61-M65 VanDerWaalsContact O-CG 3.31Å; K61-M65 WeakPolarHBondContact O-CG 3.36Å; K61-M65 PolarHBondContact O-N 2.89Å; V62-M65 HydrophobicContact CB-CE 4.42Å; V62-M65 HydrophobicContact CG2-CE 4.06Å; V62-M65 WeakPolarHBondContact O-CB 3.43Å; V62-M65 PolarHBondContact O-N 3.5Å; V62-M65 VanDerWaalsContact O-N 3.16Å; E63-M65 VanDerWaalsContact C-N 3.33Å; E63-M65 PolarHBondContact O-N 2.8Å |
| 66 | I | 95.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.2 | -50.1 | 177.2 | -67 | 167.3 | 0 | 0 | 0 | 110.2 | V62 E63 V64 R68 R69 F70 L132 Y137 F163 | V62-I66 HydrophobicContact CG1-CD1 3.79Å; V62-I66 HydrophobicContact CG1-CG1 4.4Å; V62-I66 WeakPolarHBondContact O-CG1 3.27Å; V62-I66 PolarHBondContact O-N 3.17Å; E63-I66 PolarHBondContact O-N 3.08Å; V64-I66 VanDerWaalsContact C-N 3.34Å; V64-I66 PolarHBondContact O-N 2.85Å; I66-R68 PolarHBondContact O-N 3.42Å; I66-R69 VanDerWaalsContact O-CB 3.3Å; I66-R69 WeakPolarHBondContact O-CB 3.45Å; I66-R69 PolarHBondContact O-N 2.91Å; I66-F70 HydrophobicContact CG2-CE1 4.44Å; I66-F70 HydrophobicContact CG2-CE2 3.73Å; I66-F70 HydrophobicContact CG2-CZ 3.46Å; I66-F70 VanDerWaalsContact CG2-CZ 3.46Å; I66-L132 HydrophobicContact CG2-CD1 3.79Å; I66-Y137 HydrophobicContact CD1-CD1 3.53Å; I66-Y137 HydrophobicContact CD1-CE1 3.9Å; I66-Y137 HydrophobicContact CD1-CG 4.01Å; I66-Y137 HydrophobicContact CG1-CD1 3.43Å; I66-Y137 VanDerWaalsContact CG1-CD1 3.43Å; I66-Y137 HydrophobicContact CG1-CD2 3.98Å; I66-Y137 HydrophobicContact CG1-CE1 3.45Å; I66-Y137 VanDerWaalsContact CG1-CE1 3.45Å; I66-Y137 HydrophobicContact CG1-CE2 4.02Å; I66-Y137 HydrophobicContact CG1-CG 3.69Å; I66-F163 HydrophobicContact CD1-CB 3.8Å; I66-F163 HydrophobicContact CD1-CG 4.38Å; I66-F163 HydrophobicContact CG2-CD1 4.28Å; I66-F163 HydrophobicContact CG2-CD2 4.34Å; I66-F163 HydrophobicContact CG2-CG 4.15Å |
| 67 | M | 96 | Very high | 91.9 | Very high | 7 Ų | 7 | 61.6 Ų | 61.6 | 3% | 0.034 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.7 | -34.2 | -179.1 | -71.7 | 177.5 | 77.8 | 0 | 0 | 113 | E63 V64 R69 F70 L80 V92 M94 F163 | E63-M67 WeakPolarHBondContact O-CB 3.31Å; E63-M67 VanDerWaalsContact O-CG 3.27Å; E63-M67 WeakPolarHBondContact O-CG 3.21Å; E63-M67 PolarHBondContact O-N 3.47Å; V64-M67 PolarHBondContact O-N 3.22Å; M67-R69 PolarHBondContact O-N 2.94Å; M67-F70 PolarHBondContact O-N 2.87Å; M67-L80 HydrophobicContact CB-CB 4.24Å; M67-L80 HydrophobicContact CE-CB 3.95Å; M67-L80 HydrophobicContact CE-CD1 4.34Å; M67-L80 HydrophobicContact SD-CD1 4.45Å; M67-V92 HydrophobicContact SD-CG2 4.25Å; M67-M94 HydrophobicContact CE-CB 3.55Å; M67-M94 HydrophobicContact CE-CG 4.41Å; M67-M94 HydrophobicContact CE-SD 4.01Å; M67-M94 HydrophobicContact SD-SD 4.37Å; M67-F163 HydrophobicContact CG-CD2 4.24Å; M67-F163 HydrophobicContact CG-CE2 4.11Å |
| 68 | R | 95.8 | Very high | 93 | Very high | 173 Ų | 173 | 57.3 Ų | 57.3 | 65% | 0.653 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -18.6 | 175.5 | -75.6 | 175.3 | 179.6 | -177.7 | 0.9 | 114 | V64 I66 F70 L80 | V64-R68 VanDerWaalsContact O-CG 3.28Å; V64-R68 WeakPolarHBondContact O-CG 3.42Å; V64-R68 PolarHBondContact O-N 3.5Å; V64-R68 VanDerWaalsContact O-N 3.08Å; I66-R68 PolarHBondContact O-N 3.42Å; R68-F70 VanDerWaalsContact C-N 3.34Å; R68-L80 HydrophobicContact CG-CD2 3.63Å |
| 69 | R | 94.9 | Very high | 93.6 | Very high | 115 Ų | 115 | 61.9 Ų | 61.9 | 43% | 0.434 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -21.5 | 175.7 | -60.5 | -66.9 | -175.5 | 85 | -2.7 | 112.2 | I66 M67 Q71 V135 Y137 | I66-R69 VanDerWaalsContact O-CB 3.3Å; I66-R69 WeakPolarHBondContact O-CB 3.45Å; I66-R69 PolarHBondContact O-N 2.91Å; M67-R69 PolarHBondContact O-N 2.94Å; R69-Q71 PolarHBondContact O-N 2.87Å; R69-V135 HydrophobicContact CB-CB 3.85Å; R69-V135 HydrophobicContact CB-CG1 4.04Å; R69-V135 HydrophobicContact CB-CG2 4.23Å; R69-V135 HydrophobicContact CG-CB 4.49Å; R69-V135 PolarHBondContact NH1-O 3.41Å; R69-Y137 HydrophobicContact CG-CE2 4.33Å |
| 70 | F | 94.3 | Very high | 94 | Very high | 31 Ų | 31 | 63 Ų | 63 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | trans | -77.5 | 123.5 | -177.8 | -54.9 | -48.2 | 0 | 0 | 0 | 111.9 | I66 M67 R68 H74 F77 L132 V135 F163 | I66-F70 HydrophobicContact CG2-CE1 4.44Å; I66-F70 HydrophobicContact CG2-CE2 3.73Å; I66-F70 HydrophobicContact CG2-CZ 3.46Å; I66-F70 VanDerWaalsContact CG2-CZ 3.46Å; M67-F70 PolarHBondContact O-N 2.87Å; R68-F70 VanDerWaalsContact C-N 3.34Å; F70-H74 HydrophobicContact CB-CB 4.37Å; F70-H74 HydrophobicContact CD1-CB 4.33Å; F70-F77 HydrophobicContact CB-CB 4.41Å; F70-F77 HydrophobicContact CD1-CD1 4.16Å; F70-F77 AromaticContact CD1-CD2 3.99Å; F70-F77 HydrophobicContact CD1-CD2 3.99Å; F70-F77 HydrophobicContact CD1-CE1 4.29Å; F70-F77 HydrophobicContact CD1-CE2 4.14Å; F70-F77 AromaticContact CD1-CG 3.97Å; F70-F77 HydrophobicContact CD1-CG 3.97Å; F70-F77 HydrophobicContact CD1-CZ 4.26Å; F70-F77 HydrophobicContact CD2-CB 3.61Å; F70-F77 AromaticContact CD2-CD1 3.7Å; F70-F77 HydrophobicContact CD2-CD1 3.7Å; F70-F77 HydrophobicContact CD2-CD2 4.42Å; F70-F77 HydrophobicContact CD2-CE1 4.47Å; F70-F77 AromaticContact CD2-CG 3.64Å; F70-F77 HydrophobicContact CD2-CG 3.64Å; F70-F77 AromaticContact CE1-CD1 3.7Å; F70-F77 HydrophobicContact CE1-CD1 3.7Å; F70-F77 HydrophobicContact CE1-CD2 4.13Å; F70-F77 AromaticContact CE1-CE1 3.5Å; F70-F77 HydrophobicContact CE1-CE1 3.5Å; F70-F77 AromaticContact CE1-CE2 3.97Å; F70-F77 HydrophobicContact CE1-CE2 3.97Å; F70-F77 AromaticContact CE1-CG 3.98Å; F70-F77 HydrophobicContact CE1-CG 3.98Å; F70-F77 AromaticContact CE1-CZ 3.62Å; F70-F77 HydrophobicContact CE1-CZ 3.62Å; F70-F77 HydrophobicContact CE2-CB 4Å; F70-F77 AromaticContact CE2-CD1 3.2Å; F70-F77 HydrophobicContact CE2-CD1 3.2Å; F70-F77 AromaticContact CE2-CE1 3.73Å; F70-F77 HydrophobicContact CE2-CE1 3.73Å; F70-F77 AromaticContact CE2-CG 3.67Å; F70-F77 HydrophobicContact CE2-CG 3.67Å; F70-F77 HydrophobicContact CG-CB 3.98Å; F70-F77 HydrophobicContact CG-CD1 4.18Å; F70-F77 HydrophobicContact CG-CD2 4.16Å; F70-F77 AromaticContact CG-CG 3.83Å; F70-F77 HydrophobicContact CG-CG 3.83Å; F70-F77 AromaticContact CZ-CD1 3.21Å; F70-F77 HydrophobicContact CZ-CD1 3.21Å; F70-F77 HydrophobicContact CZ-CD2 4.44Å; F70-F77 AromaticContact CZ-CE1 3.18Å; F70-F77 HydrophobicContact CZ-CE1 3.18Å; F70-F77 HydrophobicContact CZ-CE2 4.44Å; F70-F77 AromaticContact CZ-CG 3.85Å; F70-F77 HydrophobicContact CZ-CG 3.85Å; F70-F77 AromaticContact CZ-CZ 3.84Å; F70-F77 HydrophobicContact CZ-CZ 3.84Å; F70-L132 HydrophobicContact CE1-CD1 4.2Å; F70-L132 HydrophobicContact CZ-CD1 3.77Å; F70-V135 HydrophobicContact CD1-CG1 4.35Å; F70-V135 HydrophobicContact CD1-CG2 4.29Å; F70-V135 HydrophobicContact CE1-CG1 4.48Å; F70-V135 HydrophobicContact CE1-CG2 3.65Å; F70-V135 HydrophobicContact CZ-CG2 4.45Å; F70-F163 HydrophobicContact CE2-CE2 4.18Å; F70-F163 HydrophobicContact CE2-CZ 4.06Å; F70-F163 HydrophobicContact CZ-CZ 4.36Å | ||
| 71 | Q | 89.1 | Confident | 94.2 | Very high | 127 Ų | 127 | 65.6 Ų | 65.6 | 59% | 0.593 | 31% | 0.309 | S | S | * | . | trans | -91.5 | 171.3 | 167.3 | -59.4 | 172.4 | 1.2 | 0 | 0 | 112.1 | R69 K73 H74 | R69-Q71 PolarHBondContact O-N 2.87Å; Q71-K73 HydrophobicContact CB-CG 4.25Å; Q71-K73 PolarHBondContact O-N 3.19Å; Q71-K73 VanDerWaalsContact O-N 3.09Å; Q71-H74 PolarHBondContact N-CE1 3.01Å; Q71-H74 PolarHBondContact N-ND1 3.02Å; Q71-H74 PolarHBondContact O-N 3.44Å; Q71-H74 PolarHBondContact O-ND1 3Å; Q71-H74 VanDerWaalsContact O-ND1 3.12Å | ||
| 72 | S | 87.9 | Confident | 94.5 | Very high | 121 Ų | 121 | 60.2 Ų | 60.2 | 85% | 0.846 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -26.8 | 179.1 | 55.4 | 0 | 0 | 0 | 0 | 114.9 | H74 | S72-H74 VanDerWaalsContact C-N 3.29Å; S72-H74 PolarHBondContact O-N 3.24Å |
| 73 | K | 91.2 | Very high | 94.8 | Very high | 134 Ų | 134 | 59.8 Ų | 59.8 | 58% | 0.583 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -28.2 | 175.7 | 66.2 | 173.9 | -175.5 | 161.6 | 0 | 113.4 | Q71 K75 | Q71-K73 HydrophobicContact CB-CG 4.25Å; Q71-K73 PolarHBondContact O-N 3.19Å; Q71-K73 VanDerWaalsContact O-N 3.09Å; K73-K75 VanDerWaalsContact C-N 3.33Å; K73-K75 PolarHBondContact O-N 3.25Å |
| 74 | H | 95.5 | Very high | 94.9 | Very high | 13 Ų | 13 | 60.7 Ų | 60.7 | 6% | 0.06 | 30% | 0.297 | C | S | . | . | trans | -83.6 | 80.3 | -179.2 | -42.9 | 101.1 | 0 | 0 | 0 | 109.6 | F70 Q71 S72 H76 F77 D131 | F70-H74 HydrophobicContact CB-CB 4.37Å; F70-H74 HydrophobicContact CD1-CB 4.33Å; Q71-H74 PolarHBondContact N-CE1 3.01Å; Q71-H74 PolarHBondContact N-ND1 3.02Å; Q71-H74 PolarHBondContact O-N 3.44Å; Q71-H74 PolarHBondContact O-ND1 3Å; Q71-H74 VanDerWaalsContact O-ND1 3.12Å; S72-H74 VanDerWaalsContact C-N 3.29Å; S72-H74 PolarHBondContact O-N 3.24Å; H74-H76 PolarHBondContact O-N 3.07Å; H74-F77 HydrophobicContact CB-CD2 3.51Å; H74-F77 HydrophobicContact CB-CE2 3.83Å; H74-D131 IonicContact CD2-OD2 3.67Å | ||
| 75 | K | 96 | Very high | 94.8 | Very high | 105 Ų | 105 | 65.3 Ų | 65.3 | 46% | 0.457 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19.4 | -170.1 | 67.8 | -170.5 | 179.4 | -172.7 | 0 | 114.5 | K73 F77 R157 | K73-K75 VanDerWaalsContact C-N 3.33Å; K73-K75 PolarHBondContact O-N 3.25Å; K75-F77 VanDerWaalsContact C-N 3.34Å; K75-F77 PolarHBondContact O-N 3.25Å; K75-R157 VanDerWaalsContact O-CD 3.26Å; K75-R157 WeakPolarHBondContact O-CD 3.41Å |
| 76 | H | 98.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 18.3 | -173.2 | -62.1 | -62.9 | 0 | 0 | 0 | 113.9 | H74 Q124 A128 V158 Y159 L160 | H74-H76 PolarHBondContact O-N 3.07Å; H76-Q124 PolarHBondContact CE1-OE1 3.15Å; H76-A128 HydrophobicContact CB-CB 3.54Å; H76-V158 WeakPolarHBondContact CA-O 3.27Å; H76-V158 PolarHBondContact ND1-O 2.75Å; H76-Y159 CarbonylContact O-C 3.6Å; H76-Y159 VanDerWaalsContact O-CA 3.24Å; H76-Y159 WeakPolarHBondContact O-CA 3.09Å; H76-L160 PolarHBondContact O-N 2.81Å |
| 77 | F | 97.9 | Very high | 94.6 | Very high | 10 Ų | 10 | 71.9 Ų | 71.9 | 4% | 0.044 | 37% | 0.366 | C | S | . | . | B | Isolated β-bridge | trans | -126.2 | 148.3 | -177.4 | -60.7 | -87.2 | 0 | 0 | 0 | 111.7 | F70 H74 K75 A128 D131 L132 L160 F163 | F70-F77 HydrophobicContact CB-CB 4.41Å; F70-F77 HydrophobicContact CD1-CD1 4.16Å; F70-F77 AromaticContact CD1-CD2 3.99Å; F70-F77 HydrophobicContact CD1-CD2 3.99Å; F70-F77 HydrophobicContact CD1-CE1 4.29Å; F70-F77 HydrophobicContact CD1-CE2 4.14Å; F70-F77 AromaticContact CD1-CG 3.97Å; F70-F77 HydrophobicContact CD1-CG 3.97Å; F70-F77 HydrophobicContact CD1-CZ 4.26Å; F70-F77 HydrophobicContact CD2-CB 3.61Å; F70-F77 AromaticContact CD2-CD1 3.7Å; F70-F77 HydrophobicContact CD2-CD1 3.7Å; F70-F77 HydrophobicContact CD2-CD2 4.42Å; F70-F77 HydrophobicContact CD2-CE1 4.47Å; F70-F77 AromaticContact CD2-CG 3.64Å; F70-F77 HydrophobicContact CD2-CG 3.64Å; F70-F77 AromaticContact CE1-CD1 3.7Å; F70-F77 HydrophobicContact CE1-CD1 3.7Å; F70-F77 HydrophobicContact CE1-CD2 4.13Å; F70-F77 AromaticContact CE1-CE1 3.5Å; F70-F77 HydrophobicContact CE1-CE1 3.5Å; F70-F77 AromaticContact CE1-CE2 3.97Å; F70-F77 HydrophobicContact CE1-CE2 3.97Å; F70-F77 AromaticContact CE1-CG 3.98Å; F70-F77 HydrophobicContact CE1-CG 3.98Å; F70-F77 AromaticContact CE1-CZ 3.62Å; F70-F77 HydrophobicContact CE1-CZ 3.62Å; F70-F77 HydrophobicContact CE2-CB 4Å; F70-F77 AromaticContact CE2-CD1 3.2Å; F70-F77 HydrophobicContact CE2-CD1 3.2Å; F70-F77 AromaticContact CE2-CE1 3.73Å; F70-F77 HydrophobicContact CE2-CE1 3.73Å; F70-F77 AromaticContact CE2-CG 3.67Å; F70-F77 HydrophobicContact CE2-CG 3.67Å; F70-F77 HydrophobicContact CG-CB 3.98Å; F70-F77 HydrophobicContact CG-CD1 4.18Å; F70-F77 HydrophobicContact CG-CD2 4.16Å; F70-F77 AromaticContact CG-CG 3.83Å; F70-F77 HydrophobicContact CG-CG 3.83Å; F70-F77 AromaticContact CZ-CD1 3.21Å; F70-F77 HydrophobicContact CZ-CD1 3.21Å; F70-F77 HydrophobicContact CZ-CD2 4.44Å; F70-F77 AromaticContact CZ-CE1 3.18Å; F70-F77 HydrophobicContact CZ-CE1 3.18Å; F70-F77 HydrophobicContact CZ-CE2 4.44Å; F70-F77 AromaticContact CZ-CG 3.85Å; F70-F77 HydrophobicContact CZ-CG 3.85Å; F70-F77 AromaticContact CZ-CZ 3.84Å; F70-F77 HydrophobicContact CZ-CZ 3.84Å; H74-F77 HydrophobicContact CB-CD2 3.51Å; H74-F77 HydrophobicContact CB-CE2 3.83Å; K75-F77 VanDerWaalsContact C-N 3.34Å; K75-F77 PolarHBondContact O-N 3.25Å; F77-A128 VanDerWaalsContact CZ-O 3.24Å; F77-A128 WeakPolarHBondContact CZ-O 3.18Å; F77-D131 HydrophobicContact CE2-CB 3.51Å; F77-D131 HydrophobicContact CZ-CB 3.92Å; F77-L132 HydrophobicContact CE1-CB 4.31Å; F77-L132 HydrophobicContact CE1-CD1 4.4Å; F77-L132 HydrophobicContact CZ-CB 4.06Å; F77-L160 HydrophobicContact CE1-CB 4.23Å; F77-L160 HydrophobicContact CE1-CD2 4.05Å; F77-F163 HydrophobicContact CD1-CE1 4.33Å; F77-F163 AromaticContact CD1-CZ 3.74Å; F77-F163 HydrophobicContact CD1-CZ 3.74Å; F77-F163 HydrophobicContact CE1-CE1 4.18Å; F77-F163 HydrophobicContact CE1-CZ 4.06Å |
| 78 | T | 96 | Very high | 94.4 | Very high | 7 Ų | 7 | 78.5 Ų | 78.5 | 4% | 0.043 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 142.9 | 171.8 | 51.2 | 0 | 0 | 0 | 0 | 110.4 | S95 V97 Y159 I161 | T78-S95 VanDerWaalsContact CA-OG 3.22Å; T78-S95 WeakPolarHBondContact CA-OG 3.29Å; T78-S95 VanDerWaalsContact CB-OG 3.3Å; T78-S95 WeakPolarHBondContact CB-OG 3.43Å; T78-V97 HydrophobicContact CG2-CG1 3.63Å; T78-Y159 HydrophobicContact CG2-CD1 4.41Å; T78-I161 HydrophobicContact CG2-CG2 4.31Å |
| 79 | Q | 94.8 | Very high | 94.2 | Very high | 134 Ų | 134 | 70.7 Ų | 70.7 | 63% | 0.626 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -82.7 | 129.7 | 176.5 | -67 | -178.8 | -4.2 | 0 | 0 | 109.8 | I81 M94 S95 | Q79-I81 PolarHBondContact O-N 3.44Å; Q79-M94 CarbonylContact O-C 3.48Å; Q79-M94 WeakPolarHBondContact O-CA 3.42Å; Q79-M94 WeakPolarHBondContact O-CB 3.46Å; Q79-S95 PolarHBondContact N-OG 3.18Å; Q79-S95 PolarHBondContact O-N 3.44Å |
| 80 | L | 96 | Very high | 94.2 | Very high | 47 Ų | 47 | 66.4 Ų | 66.4 | 25% | 0.246 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 126.1 | 169.4 | 179.7 | 65.4 | 0 | 0 | 0 | 109.5 | V64 M67 R68 A83 V92 | V64-L80 HydrophobicContact CG1-CD2 4.09Å; M67-L80 HydrophobicContact CB-CB 4.24Å; M67-L80 HydrophobicContact CE-CB 3.95Å; M67-L80 HydrophobicContact CE-CD1 4.34Å; M67-L80 HydrophobicContact SD-CD1 4.45Å; R68-L80 HydrophobicContact CG-CD2 3.63Å; L80-A83 HydrophobicContact CD1-CB 4.26Å; L80-V92 HydrophobicContact CD1-CG2 3.32Å |
| 81 | I | 96.1 | Very high | 94.3 | Very high | 59 Ų | 59 | 66.1 Ų | 66.1 | 30% | 0.303 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | -52.1 | 176.8 | -53.6 | -58.1 | 0 | 0 | 0 | 109.8 | Y46 Q79 V93 | Y46-I81 HydrophobicContact CD1-CD1 4.13Å; Y46-I81 HydrophobicContact CD1-CG1 3.65Å; Y46-I81 HydrophobicContact CE1-CD1 3.66Å; Y46-I81 HydrophobicContact CE1-CG1 3.62Å; Y46-I81 HydrophobicContact CE1-CG2 4.32Å; Q79-I81 PolarHBondContact O-N 3.44Å; I81-V93 WeakPolarHBondContact CA-O 3.38Å; I81-V93 HydrophobicContact CB-CB 4.22Å; I81-V93 HydrophobicContact CB-CG1 3.99Å; I81-V93 WeakPolarHBondContact CB-O 3.46Å; I81-V93 HydrophobicContact CG1-CG1 4.34Å; I81-V93 HydrophobicContact CG2-CG1 4.29Å; I81-V93 PolarHBondContact N-O 2.79Å |
| 82 | E | 96.3 | Very high | 94.6 | Very high | 37 Ų | 37 | 60 Ų | 60 | 17% | 0.173 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 161.1 | 173.1 | 58.5 | 178.1 | 99.7 | 0 | 0 | 110.2 | I17 R19 Y20 Y91 V93 | I17-E82 WeakPolarHBondContact CD1-OE2 3.46Å; R19-E82 IonicContact CZ-OE1 3.09Å; R19-E82 IonicContact NE-OE1 2.71Å; R19-E82 IonicContact NH1-OE1 3.6Å; R19-E82 PolarHBondContact NH1-OE1 2.78Å; Y20-E82 HydrophobicContact CE2-CG 4.33Å; Y20-E82 WeakPolarHBondContact CE2-OE1 3.45Å; Y20-E82 VanDerWaalsContact CZ-OE1 3.24Å; Y20-E82 PolarHBondContact OH-OE1 3.34Å; E82-Y91 HydrophobicContact CG-CE2 4.23Å; E82-Y91 PolarHBondContact OE2-OH 2.83Å; E82-V93 HydrophobicContact CG-CB 3.74Å; E82-V93 HydrophobicContact CG-CG2 3.72Å; E82-V93 PolarHBondContact N-O 3.22Å; E82-V93 PolarHBondContact O-N 2.93Å |
| 83 | A | 96.4 | Very high | 95.1 | Very high | 35 Ų | 35 | 54.3 Ų | 54.3 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 151.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | V64 L80 Y91 V92 | V64-A83 HydrophobicContact CG1-CB 4.04Å; V64-A83 HydrophobicContact CG2-CB 3.59Å; L80-A83 HydrophobicContact CD1-CB 4.26Å; A83-Y91 CarbonylContact C-O 3.51Å; A83-Y91 WeakPolarHBondContact CA-O 3.3Å; A83-Y91 WeakPolarHBondContact CB-O 3.31Å; A83-V92 HydrophobicContact CB-CB 4.3Å; A83-V92 HydrophobicContact CB-CG2 4.24Å |
| 84 | G | 95.4 | Very high | 95.4 | Very high | 23 Ų | 23 | 49 Ų | 49 | 24% | 0.237 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.7 | -163.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y91 | G84-Y91 VanDerWaalsContact C-CD1 3.49Å; G84-Y91 PolarHBondContact N-O 3.47Å; G84-Y91 WeakPolarHBondContact O-CD1 3.28Å; G84-Y91 PolarHBondContact O-N 2.72Å |
| 85 | N | 94.2 | Very high | 95.4 | Very high | 111 Ų | 111 | 49.7 Ų | 49.7 | 59% | 0.594 | 27% | 0.265 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 138 | 178.3 | -67 | 85.5 | 0 | 0 | 0 | 108.9 | L89 N90 | N85-L89 CarbonylContact C-O 3.5Å; N85-L89 WeakPolarHBondContact CA-O 3.32Å; N85-N90 PolarHBondContact ND2-OD1 3.03Å |
| 86 | W | 93.8 | Very high | 95.5 | Very high | 144 Ų | 144 | 45.8 Ų | 45.8 | 55% | 0.545 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 109.9 | 173.3 | -176.5 | -107.8 | 0 | 0 | 0 | 110.3 | F16 I17 K88 L89 Y91 | F16-W86 HydrophobicContact CE2-CB 4.47Å; F16-W86 AromaticContact CE2-CD1 3.84Å; F16-W86 HydrophobicContact CE2-CG 4.41Å; F16-W86 HydrophobicContact CZ-CB 4.02Å; F16-W86 HydrophobicContact CZ-CG 4.35Å; I17-W86 HydrophobicContact CB-CD2 4.46Å; I17-W86 HydrophobicContact CB-CE3 4.49Å; I17-W86 HydrophobicContact CG2-CB 3.82Å; I17-W86 HydrophobicContact CG2-CD2 3.48Å; I17-W86 VanDerWaalsContact CG2-CD2 3.48Å; I17-W86 HydrophobicContact CG2-CE3 3.77Å; I17-W86 HydrophobicContact CG2-CG 3.49Å; I17-W86 VanDerWaalsContact CG2-CG 3.49Å; I17-W86 HydrophobicContact CG2-CZ3 4.48Å; W86-K88 PolarHBondContact O-N 3.33Å; W86-L89 PolarHBondContact N-O 3.42Å; W86-L89 WeakPolarHBondContact O-CB 3.42Å; W86-L89 PolarHBondContact O-N 2.97Å; W86-Y91 HydrophobicContact CB-CD1 4.07Å; W86-Y91 HydrophobicContact CB-CE1 4.06Å |
| 87 | G | 90.9 | Very high | 95.4 | Very high | 76 Ų | 76 | 47 Ų | 47 | 78% | 0.784 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | -120 | -171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 88 | K | 91.1 | Very high | 95.3 | Very high | 146 Ų | 146 | 48 Ų | 48 | 64% | 0.635 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 11.4 | 177.9 | -62.8 | -175.9 | 178.5 | -178.5 | 0 | 113.8 | V7 A53 W86 | V7-K88 HydrophobicContact CG1-CB 4.29Å; A53-K88 WeakPolarHBondContact CB-O 3.32Å; A53-K88 PolarHBondContact N-O 3.29Å; W86-K88 PolarHBondContact O-N 3.33Å |
| 89 | L | 92.9 | Very high | 95.3 | Very high | 9 Ų | 9 | 50.5 Ų | 50.5 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 138.8 | -174.6 | -61.2 | 173.3 | 0 | 0 | 0 | 111.9 | V7 L8 L10 F16 I50 E51 L52 N85 W86 | V7-L89 HydrophobicContact CG1-CD2 4.01Å; V7-L89 HydrophobicContact CG1-CG 4.38Å; L8-L89 HydrophobicContact CD2-CD2 4.05Å; L10-L89 HydrophobicContact CD2-CD1 4.21Å; F16-L89 HydrophobicContact CE2-CD1 4.22Å; I50-L89 HydrophobicContact CD1-CD1 4.13Å; E51-L89 WeakPolarHBondContact O-CA 3.25Å; E51-L89 WeakPolarHBondContact O-CD2 3.31Å; L52-L89 HydrophobicContact CD2-CD2 4.25Å; N85-L89 CarbonylContact C-O 3.5Å; N85-L89 WeakPolarHBondContact CA-O 3.32Å; W86-L89 PolarHBondContact N-O 3.42Å; W86-L89 WeakPolarHBondContact O-CB 3.42Å; W86-L89 PolarHBondContact O-N 2.97Å |
| 90 | N | 94.4 | Very high | 95.4 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 142.4 | 153.5 | -65.7 | -35.1 | 0 | 0 | 0 | 107.8 | I50 E51 S58 L60 N85 | I50-N90 VanDerWaalsContact CA-O 3.29Å; I50-N90 WeakPolarHBondContact CA-O 3.39Å; E51-N90 HydrophobicContact CG-CB 3.72Å; E51-N90 PolarHBondContact N-O 3.44Å; E51-N90 PolarHBondContact O-N 2.92Å; E51-N90 PolarHBondContact OE1-ND2 2.72Å; S58-N90 PolarHBondContact OG-ND2 3.39Å; L60-N90 HydrophobicContact CB-CB 4.45Å; L60-N90 HydrophobicContact CD2-CB 3.9Å; N85-N90 PolarHBondContact ND2-OD1 3.03Å |
| 91 | Y | 95.7 | Very high | 95.5 | Very high | 25 Ų | 25 | 42.9 Ų | 42.9 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 153.8 | 175.3 | 73.5 | -91.6 | 0 | 0 | 0 | 113.1 | F16 I17 L48 K49 E82 A83 G84 W86 V93 | F16-Y91 AromaticContact CE1-CD1 3.88Å; F16-Y91 HydrophobicContact CE1-CD1 3.88Å; F16-Y91 AromaticContact CE1-CD2 3.97Å; F16-Y91 HydrophobicContact CE1-CD2 3.97Å; F16-Y91 HydrophobicContact CE1-CE1 4.37Å; F16-Y91 HydrophobicContact CE1-CE2 4.46Å; F16-Y91 AromaticContact CE1-CG 3.66Å; F16-Y91 HydrophobicContact CE1-CG 3.66Å; F16-Y91 AromaticContact CZ-CD1 3.89Å; F16-Y91 HydrophobicContact CZ-CD1 3.89Å; F16-Y91 AromaticContact CZ-CG 3.93Å; F16-Y91 HydrophobicContact CZ-CG 3.93Å; I17-Y91 HydrophobicContact CD1-CE2 4.06Å; I17-Y91 HydrophobicContact CG2-CE1 4.4Å; L48-Y91 HydrophobicContact CD1-CD2 4.18Å; L48-Y91 HydrophobicContact CD1-CG 4.39Å; K49-Y91 CarbonylContact O-C 3.6Å; K49-Y91 VanDerWaalsContact O-CA 3.31Å; K49-Y91 WeakPolarHBondContact O-CA 3.36Å; E82-Y91 HydrophobicContact CG-CE2 4.23Å; E82-Y91 PolarHBondContact OE2-OH 2.83Å; A83-Y91 CarbonylContact C-O 3.51Å; A83-Y91 WeakPolarHBondContact CA-O 3.3Å; A83-Y91 WeakPolarHBondContact CB-O 3.31Å; G84-Y91 VanDerWaalsContact C-CD1 3.49Å; G84-Y91 PolarHBondContact N-O 3.47Å; G84-Y91 WeakPolarHBondContact O-CD1 3.28Å; G84-Y91 PolarHBondContact O-N 2.72Å; W86-Y91 HydrophobicContact CB-CD1 4.07Å; W86-Y91 HydrophobicContact CB-CE1 4.06Å; Y91-V93 HydrophobicContact CD2-CG2 4.14Å; Y91-V93 HydrophobicContact CE2-CG2 4.34Å |
| 92 | V | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 130.5 | 168.9 | 63.4 | 0 | 0 | 0 | 0 | 109.1 | L48 K49 L60 V64 M67 L80 A83 M94 | L48-V92 WeakPolarHBondContact CA-O 3.4Å; K49-V92 HydrophobicContact CB-CG1 3.7Å; K49-V92 HydrophobicContact CG-CG1 4.5Å; K49-V92 PolarHBondContact N-O 3.49Å; K49-V92 PolarHBondContact O-N 2.79Å; L60-V92 HydrophobicContact CD1-CG1 3.94Å; L60-V92 HydrophobicContact CD2-CB 4.09Å; L60-V92 HydrophobicContact CD2-CG1 3.98Å; L60-V92 HydrophobicContact CG-CB 4.39Å; L60-V92 HydrophobicContact CG-CG1 3.96Å; V64-V92 HydrophobicContact CG2-CB 4.07Å; V64-V92 HydrophobicContact CG2-CG2 3.93Å; M67-V92 HydrophobicContact SD-CG2 4.25Å; L80-V92 HydrophobicContact CD1-CG2 3.32Å; A83-V92 HydrophobicContact CB-CB 4.3Å; A83-V92 HydrophobicContact CB-CG2 4.24Å; V92-M94 HydrophobicContact CG1-CE 4.49Å |
| 93 | V | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 128 | 170 | -175.1 | 0 | 0 | 0 | 0 | 107.7 | Y20 Y46 A47 L48 I81 E82 Y91 | Y20-V93 HydrophobicContact CD2-CG2 4.31Å; Y20-V93 HydrophobicContact CE1-CG1 3.9Å; Y20-V93 HydrophobicContact CE2-CG2 3.91Å; Y46-V93 HydrophobicContact CD2-CG1 4.38Å; Y46-V93 HydrophobicContact CG-CG1 3.95Å; A47-V93 CarbonylContact O-C 3.56Å; A47-V93 WeakPolarHBondContact O-CA 3.48Å; L48-V93 HydrophobicContact CD1-CG2 3.93Å; I81-V93 WeakPolarHBondContact CA-O 3.38Å; I81-V93 HydrophobicContact CB-CB 4.22Å; I81-V93 HydrophobicContact CB-CG1 3.99Å; I81-V93 WeakPolarHBondContact CB-O 3.46Å; I81-V93 HydrophobicContact CG1-CG1 4.34Å; I81-V93 HydrophobicContact CG2-CG1 4.29Å; I81-V93 PolarHBondContact N-O 2.79Å; E82-V93 HydrophobicContact CG-CB 3.74Å; E82-V93 HydrophobicContact CG-CG2 3.72Å; E82-V93 PolarHBondContact N-O 3.22Å; E82-V93 PolarHBondContact O-N 2.93Å; Y91-V93 HydrophobicContact CD2-CG2 4.14Å; Y91-V93 HydrophobicContact CE2-CG2 4.34Å |
| 94 | M | 97 | Very high | 95.7 | Very high | 22 Ų | 22 | 40.8 Ų | 40.8 | 11% | 0.108 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 163.9 | -177 | 62.5 | -170 | 147.8 | 0 | 0 | 111.7 | Y46 A47 K49 M67 Q79 V92 L96 | Y46-M94 WeakPolarHBondContact CB-O 3.41Å; A47-M94 HydrophobicContact CB-CE 4.27Å; A47-M94 HydrophobicContact CB-CG 3.94Å; A47-M94 PolarHBondContact N-O 3.04Å; A47-M94 PolarHBondContact O-N 3.23Å; K49-M94 HydrophobicContact CB-CE 3.89Å; K49-M94 HydrophobicContact CD-CE 4.44Å; M67-M94 HydrophobicContact CE-CB 3.55Å; M67-M94 HydrophobicContact CE-CG 4.41Å; M67-M94 HydrophobicContact CE-SD 4.01Å; M67-M94 HydrophobicContact SD-SD 4.37Å; Q79-M94 CarbonylContact O-C 3.48Å; Q79-M94 WeakPolarHBondContact O-CA 3.42Å; Q79-M94 WeakPolarHBondContact O-CB 3.46Å; V92-M94 HydrophobicContact CG1-CE 4.49Å; M94-L96 PolarHBondContact O-N 3.29Å |
| 95 | S | 96.1 | Very high | 95.8 | Very high | 28 Ų | 28 | 40 Ų | 40 | 20% | 0.196 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.3 | 132.4 | 174.4 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | T78 Q79 | T78-S95 VanDerWaalsContact CA-OG 3.22Å; T78-S95 WeakPolarHBondContact CA-OG 3.29Å; T78-S95 VanDerWaalsContact CB-OG 3.3Å; T78-S95 WeakPolarHBondContact CB-OG 3.43Å; Q79-S95 PolarHBondContact N-OG 3.18Å; Q79-S95 PolarHBondContact O-N 3.44Å |
| 96 | L | 97.5 | Very high | 95.9 | Very high | 24 Ų | 24 | 40.3 Ų | 40.3 | 13% | 0.126 | 23% | 0.227 | C | C | . | . | trans | -70.3 | 138.8 | 176.1 | -174.4 | 64.7 | 0 | 0 | 0 | 110.9 | L26 E36 H45 A47 M94 | L26-L96 HydrophobicContact CD1-CD1 3.67Å; E36-L96 HydrophobicContact CG-CD1 4.29Å; E36-L96 HydrophobicContact CG-CD2 3.88Å; H45-L96 HydrophobicContact CB-CD2 3.94Å; A47-L96 HydrophobicContact CB-CD1 4.12Å; M94-L96 PolarHBondContact O-N 3.29Å | ||
| 97 | V | 97.2 | Very high | 96.1 | Very high | 27 Ų | 27 | 40.9 Ų | 40.9 | 16% | 0.164 | 23% | 0.234 | C | C | . | . | trans | -119.6 | 166.6 | 171.8 | -65.6 | 0 | 0 | 0 | 0 | 109.8 | T78 A148 Y159 I161 | T78-V97 HydrophobicContact CG2-CG1 3.63Å; V97-A148 HydrophobicContact CB-CB 4.09Å; V97-A148 HydrophobicContact CG2-CB 3.61Å; V97-Y159 HydrophobicContact CG1-CD1 3.86Å; V97-Y159 HydrophobicContact CG1-CD2 3.91Å; V97-Y159 HydrophobicContact CG1-CE1 4.33Å; V97-Y159 HydrophobicContact CG1-CE2 4.38Å; V97-Y159 HydrophobicContact CG1-CG 3.63Å; V97-I161 HydrophobicContact CG2-CG2 4.3Å | ||
| 98 | G | 96.7 | Very high | 96.3 | Very high | 29 Ų | 29 | 40.9 Ų | 40.9 | 30% | 0.299 | 21% | 0.21 | S | C | . | . | trans | -78.9 | -156.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L149 | G98-L149 VanDerWaalsContact CA-O 3.25Å; G98-L149 WeakPolarHBondContact CA-O 3.23Å; G98-L149 PolarHBondContact N-O 3.46Å | ||
| 99 | C | 95.4 | Very high | 96.5 | Very high | 61 Ų | 61 | 39.7 Ų | 39.7 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | trans | -68.3 | 152.6 | -178.6 | -63 | 0 | 0 | 0 | 0 | 112.5 | V104 A148 L149 | C99-V104 HydrophobicContact CB-CG2 3.91Å; C99-A148 WeakPolarHBondContact O-CA 3.37Å; C99-L149 PolarHBondContact O-N 3.35Å | ||
| 100 | S | 97.1 | Very high | 96.7 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | B | Isolated β-bridge | trans | -64.4 | 150.5 | 169.1 | 67.1 | 0 | 0 | 0 | 0 | 112 | D102 S103 V104 S145 F147 | S100-D102 PolarHBondContact O-N 3.13Å; S100-S103 WeakPolarHBondContact O-CB 3.24Å; S100-S103 PolarHBondContact O-N 3.3Å; S100-S103 WeakPolarHBondContact OG-CB 3.29Å; S100-S103 PolarHBondContact OG-N 3.44Å; S100-S103 PolarHBondContact OG-OG 3.32Å; S100-V104 WeakPolarHBondContact O-CG2 3.08Å; S100-V104 PolarHBondContact O-N 3.34Å; S100-S145 VanDerWaalsContact CB-O 3.32Å; S100-S145 WeakPolarHBondContact CB-O 3.4Å; S100-F147 CarbonylContact C-O 3.53Å; S100-F147 WeakPolarHBondContact CA-O 3.21Å |
| 101 | I | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.5 | -40.6 | 174.8 | -66.9 | 180 | 0 | 0 | 0 | 109.9 | S103 V104 R105 F113 L121 A144 F147 L149 V158 M218 | I101-S103 PolarHBondContact O-N 2.97Å; I101-V104 PolarHBondContact O-N 2.93Å; I101-R105 WeakPolarHBondContact O-CB 3.46Å; I101-R105 PolarHBondContact O-N 3.45Å; I101-F113 HydrophobicContact CG2-CE2 3.72Å; I101-F113 HydrophobicContact CG2-CZ 4.44Å; I101-L121 HydrophobicContact CD1-CD1 4.22Å; I101-L121 HydrophobicContact CD1-CD2 3.83Å; I101-L121 HydrophobicContact CD1-CG 4.43Å; I101-L121 HydrophobicContact CG1-CD2 4.45Å; I101-L121 HydrophobicContact CG2-CD1 3.94Å; I101-A144 HydrophobicContact CB-CB 4.43Å; I101-A144 HydrophobicContact CG2-CB 4.27Å; I101-A144 PolarHBondContact N-O 3Å; I101-F147 HydrophobicContact CD1-CB 3.52Å; I101-F147 HydrophobicContact CD1-CG 4.38Å; I101-F147 HydrophobicContact CG1-CB 4Å; I101-F147 PolarHBondContact N-O 3.47Å; I101-L149 HydrophobicContact CG1-CD2 4.3Å; I101-V158 HydrophobicContact CD1-CG1 4.13Å; I101-V158 HydrophobicContact CD1-CG2 4.16Å; I101-M218 HydrophobicContact CG2-CG 4.38Å; I101-M218 HydrophobicContact CG2-SD 3.66Å |
| 102 | D | 97.4 | Very high | 97 | Very high | 18 Ų | 18 | 48.4 Ų | 48.4 | 10% | 0.096 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60 | -44.2 | 175.1 | -179.1 | 60.6 | 0 | 0 | 0 | 112.8 | S100 V104 R105 K106 A144 | S100-D102 PolarHBondContact O-N 3.13Å; D102-V104 VanDerWaalsContact C-N 3.32Å; D102-V104 PolarHBondContact O-N 2.92Å; D102-R105 PolarHBondContact O-N 3.48Å; D102-R105 IonicContact OD1-CZ 2.83Å; D102-R105 IonicContact OD1-NE 3.01Å; D102-R105 IonicContact OD1-NH2 3.52Å; D102-R105 PolarHBondContact OD1-NH2 3.36Å; D102-K106 WeakPolarHBondContact O-CB 3.46Å; D102-K106 WeakPolarHBondContact O-CG 3.39Å; D102-K106 PolarHBondContact O-N 2.84Å; D102-K106 WeakPolarHBondContact OD1-CE 3.42Å; D102-K106 IonicContact OD1-NZ 3.43Å; D102-K106 PolarHBondContact OD1-NZ 3.17Å; D102-K106 WeakPolarHBondContact OD2-CD 3.45Å; D102-K106 VanDerWaalsContact OD2-CE 3.23Å; D102-K106 WeakPolarHBondContact OD2-CE 3.28Å; D102-K106 IonicContact OD2-NZ 3.7Å; D102-K106 PolarHBondContact OD2-NZ 2.74Å; D102-A144 HydrophobicContact CB-CB 3.82Å; D102-A144 PolarHBondContact N-O 2.8Å; D102-A144 VanDerWaalsContact N-O 3.1Å |
| 103 | S | 96.6 | Very high | 97.1 | Very high | 49 Ų | 49 | 48.5 Ų | 48.5 | 34% | 0.343 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 177.7 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | S100 I101 K107 | S100-S103 WeakPolarHBondContact O-CB 3.24Å; S100-S103 PolarHBondContact O-N 3.3Å; S100-S103 WeakPolarHBondContact OG-CB 3.29Å; S100-S103 PolarHBondContact OG-N 3.44Å; S100-S103 PolarHBondContact OG-OG 3.32Å; I101-S103 PolarHBondContact O-N 2.97Å; S103-K107 WeakPolarHBondContact O-CG 3.48Å; S103-K107 PolarHBondContact O-N 3.44Å |
| 104 | V | 97.3 | Very high | 97.1 | Very high | 19 Ų | 19 | 50.7 Ų | 50.7 | 12% | 0.115 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.5 | -46.1 | 177.8 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | C99 S100 I101 D102 K106 K107 R108 F113 L149 W296 | C99-V104 HydrophobicContact CB-CG2 3.91Å; S100-V104 WeakPolarHBondContact O-CG2 3.08Å; S100-V104 PolarHBondContact O-N 3.34Å; I101-V104 PolarHBondContact O-N 2.93Å; D102-V104 VanDerWaalsContact C-N 3.32Å; D102-V104 PolarHBondContact O-N 2.92Å; V104-K106 PolarHBondContact O-N 2.93Å; V104-K107 PolarHBondContact O-N 3.44Å; V104-R108 PolarHBondContact O-N 3.28Å; V104-F113 HydrophobicContact CB-CZ 4.25Å; V104-F113 HydrophobicContact CG1-CE1 4.14Å; V104-F113 HydrophobicContact CG1-CZ 3.98Å; V104-L149 HydrophobicContact CG2-CD1 3.88Å; V104-W296 HydrophobicContact CG1-CB 3.71Å; V104-W296 HydrophobicContact CG1-CD2 3.82Å; V104-W296 HydrophobicContact CG1-CE3 3.46Å; V104-W296 VanDerWaalsContact CG1-CE3 3.46Å; V104-W296 HydrophobicContact CG1-CG 3.96Å; V104-W296 HydrophobicContact CG1-CZ3 4.34Å |
| 105 | R | 98.1 | Very high | 97.1 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.2 | -48.8 | 175.8 | -175.5 | -174.3 | 62.3 | 96.5 | -10 | 111.7 | I101 D102 K107 R108 K111 F113 E217 G221 | I101-R105 WeakPolarHBondContact O-CB 3.46Å; I101-R105 PolarHBondContact O-N 3.45Å; D102-R105 PolarHBondContact O-N 3.48Å; D102-R105 IonicContact OD1-CZ 2.83Å; D102-R105 IonicContact OD1-NE 3.01Å; D102-R105 IonicContact OD1-NH2 3.52Å; D102-R105 PolarHBondContact OD1-NH2 3.36Å; R105-K107 PolarHBondContact O-N 3.07Å; R105-R108 WeakPolarHBondContact O-CB 3.48Å; R105-R108 WeakPolarHBondContact O-CG 3.45Å; R105-R108 PolarHBondContact O-N 3.09Å; R105-K111 VanDerWaalsContact CG-O 3.3Å; R105-K111 WeakPolarHBondContact CG-O 3.48Å; R105-K111 PolarHBondContact NH1-O 3.3Å; R105-K111 WeakPolarHBondContact O-CA 3.48Å; R105-F113 HydrophobicContact CB-CD2 4.25Å; R105-F113 HydrophobicContact CB-CE1 4.37Å; R105-F113 HydrophobicContact CB-CE2 3.56Å; R105-F113 HydrophobicContact CB-CZ 3.64Å; R105-F113 HydrophobicContact CG-CD2 4.24Å; R105-F113 HydrophobicContact CG-CE2 4.05Å; R105-F113 HydrophobicContact CG-CZ 4.38Å; R105-E217 IonicContact CZ-OE1 3.42Å; R105-E217 IonicContact CZ-OE2 3.93Å; R105-E217 IonicContact NH2-OE1 2.65Å; R105-E217 PolarHBondContact NH2-OE1 2.94Å; R105-E217 IonicContact NH2-OE2 3.29Å; R105-E217 PolarHBondContact NH2-OE2 3.06Å; R105-G221 PolarHBondContact NH1-O 2.81Å |
| 106 | K | 97.2 | Very high | 97.2 | Very high | 117 Ų | 117 | 51.3 Ų | 51.3 | 51% | 0.509 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.9 | -22.8 | -178.6 | -77.1 | 173.2 | 175.7 | 164.3 | 0 | 113.9 | D102 V104 | D102-K106 WeakPolarHBondContact O-CB 3.46Å; D102-K106 WeakPolarHBondContact O-CG 3.39Å; D102-K106 PolarHBondContact O-N 2.84Å; D102-K106 WeakPolarHBondContact OD1-CE 3.42Å; D102-K106 IonicContact OD1-NZ 3.43Å; D102-K106 PolarHBondContact OD1-NZ 3.17Å; D102-K106 WeakPolarHBondContact OD2-CD 3.45Å; D102-K106 VanDerWaalsContact OD2-CE 3.23Å; D102-K106 WeakPolarHBondContact OD2-CE 3.28Å; D102-K106 IonicContact OD2-NZ 3.7Å; D102-K106 PolarHBondContact OD2-NZ 2.74Å; V104-K106 PolarHBondContact O-N 2.93Å |
| 107 | K | 96.8 | Very high | 97.3 | Very high | 157 Ų | 157 | 50.2 Ų | 50.2 | 68% | 0.683 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -79.5 | -18.3 | 173.9 | -72.1 | 172.6 | -178.5 | -178.6 | 0 | 113.2 | S103 V104 R105 | S103-K107 WeakPolarHBondContact O-CG 3.48Å; S103-K107 PolarHBondContact O-N 3.44Å; V104-K107 PolarHBondContact O-N 3.44Å; R105-K107 PolarHBondContact O-N 3.07Å |
| 108 | R | 96.2 | Very high | 97.3 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 28% | 0.283 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -63 | 142.4 | 173.8 | -66.4 | -78 | -48 | 163.2 | 13.5 | 109.7 | V104 R105 T110 K111 T112 F113 E295 | V104-R108 PolarHBondContact O-N 3.28Å; R105-R108 WeakPolarHBondContact O-CB 3.48Å; R105-R108 WeakPolarHBondContact O-CG 3.45Å; R105-R108 PolarHBondContact O-N 3.09Å; R108-T110 PolarHBondContact O-N 2.89Å; R108-K111 PolarHBondContact O-N 3.41Å; R108-T112 WeakPolarHBondContact CG-O 3.44Å; R108-F113 HydrophobicContact CG-CD1 4.26Å; R108-F113 HydrophobicContact CG-CE1 4.05Å; R108-E295 IonicContact CZ-OE1 3.62Å; R108-E295 IonicContact NE-OE1 2.87Å; R108-E295 PolarHBondContact NH1-O 2.88Å; R108-E295 IonicContact NH2-OE1 3.83Å |
| 109 | P | 95.8 | Very high | 97.4 | Very high | 121 Ų | 121 | 47.5 Ų | 47.5 | 79% | 0.786 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -40.1 | 175.7 | -27.9 | 35.2 | 0 | 0 | 0 | 113.6 | ||
| 110 | T | 96.2 | Very high | 97.6 | Very high | 85 Ų | 85 | 45.2 Ų | 45.2 | 52% | 0.521 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -10.5 | 178.5 | 55.7 | 0 | 0 | 0 | 0 | 113.6 | R108 T112 | R108-T110 PolarHBondContact O-N 2.89Å; T110-T112 WeakPolarHBondContact CB-OG1 3.33Å; T110-T112 PolarHBondContact O-N 3.23Å; T110-T112 PolarHBondContact OG1-N 3.3Å; T110-T112 PolarHBondContact OG1-OG1 3.25Å |
| 111 | K | 97.5 | Very high | 97.7 | Very high | 127 Ų | 127 | 44.2 Ų | 44.2 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | S | Bend | trans | 55.6 | 27.4 | -169.5 | -53.9 | 179.5 | -178.5 | 177.1 | 0 | 113.8 | R105 R108 | R105-K111 VanDerWaalsContact CG-O 3.3Å; R105-K111 WeakPolarHBondContact CG-O 3.48Å; R105-K111 PolarHBondContact NH1-O 3.3Å; R105-K111 WeakPolarHBondContact O-CA 3.48Å; R108-K111 PolarHBondContact O-N 3.41Å |
| 112 | T | 98.3 | Very high | 97.7 | Very high | 29 Ų | 29 | 44.2 Ų | 44.2 | 18% | 0.178 | 23% | 0.231 | C | C | . | . | trans | -135.3 | 164.4 | 179.4 | 62.9 | 0 | 0 | 0 | 0 | 110.7 | R108 T110 M218 L219 | R108-T112 WeakPolarHBondContact CG-O 3.44Å; T110-T112 WeakPolarHBondContact CB-OG1 3.33Å; T110-T112 PolarHBondContact O-N 3.23Å; T110-T112 PolarHBondContact OG1-N 3.3Å; T110-T112 PolarHBondContact OG1-OG1 3.25Å; T112-M218 CarbonylContact C-O 3.57Å; T112-M218 WeakPolarHBondContact CA-O 3.35Å; T112-L219 VanDerWaalsContact CB-O 3.31Å; T112-L219 WeakPolarHBondContact CB-O 3.33Å; T112-L219 WeakPolarHBondContact CG2-O 3.39Å | ||
| 113 | F | 98.5 | Very high | 97.7 | Very high | 3 Ų | 3 | 46.3 Ų | 46.3 | 1% | 0.013 | 24% | 0.239 | C | C | . | . | trans | -108.6 | 157.9 | 165.2 | -66.7 | -50.8 | 0 | 0 | 0 | 111.1 | I101 V104 R105 R108 T117 L121 M218 L219 E295 W296 | I101-F113 HydrophobicContact CG2-CE2 3.72Å; I101-F113 HydrophobicContact CG2-CZ 4.44Å; V104-F113 HydrophobicContact CB-CZ 4.25Å; V104-F113 HydrophobicContact CG1-CE1 4.14Å; V104-F113 HydrophobicContact CG1-CZ 3.98Å; R105-F113 HydrophobicContact CB-CD2 4.25Å; R105-F113 HydrophobicContact CB-CE1 4.37Å; R105-F113 HydrophobicContact CB-CE2 3.56Å; R105-F113 HydrophobicContact CB-CZ 3.64Å; R105-F113 HydrophobicContact CG-CD2 4.24Å; R105-F113 HydrophobicContact CG-CE2 4.05Å; R105-F113 HydrophobicContact CG-CZ 4.38Å; R108-F113 HydrophobicContact CG-CD1 4.26Å; R108-F113 HydrophobicContact CG-CE1 4.05Å; F113-T117 HydrophobicContact CB-CG2 3.81Å; F113-T117 HydrophobicContact CD1-CG2 3.81Å; F113-T117 HydrophobicContact CD2-CG2 4.17Å; F113-T117 HydrophobicContact CE1-CG2 4.41Å; F113-T117 HydrophobicContact CG-CG2 3.67Å; F113-L121 HydrophobicContact CD2-CD1 4.19Å; F113-L121 HydrophobicContact CE2-CD1 4.04Å; F113-M218 HydrophobicContact CD2-CB 4.08Å; F113-M218 HydrophobicContact CD2-CG 4.19Å; F113-M218 HydrophobicContact CD2-SD 4.47Å; F113-M218 PolarHBondContact N-O 3.12Å; F113-L219 WeakPolarHBondContact O-CD1 3.29Å; F113-E295 WeakPolarHBondContact CA-OE2 3.46Å; F113-E295 VanDerWaalsContact CB-OE2 3.23Å; F113-E295 WeakPolarHBondContact CB-OE2 3.44Å; F113-E295 HydrophobicContact CD1-CB 4.2Å; F113-E295 WeakPolarHBondContact CD1-OE2 3.48Å; F113-W296 AromaticContact CE1-CE3 3.88Å; F113-W296 HydrophobicContact CE1-CE3 3.88Å; F113-W296 AromaticContact CE1-CZ3 3.9Å; F113-W296 HydrophobicContact CE1-CZ3 3.9Å; F113-W296 HydrophobicContact CZ-CE3 4.14Å; F113-W296 AromaticContact CZ-CZ3 3.92Å; F113-W296 HydrophobicContact CZ-CZ3 3.92Å | ||
| 114 | S | 97.8 | Very high | 97.8 | Very high | 45 Ų | 45 | 45.8 Ų | 45.8 | 32% | 0.315 | 23% | 0.231 | S | C | . | . | trans | -60.2 | 160.1 | 164.8 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | S116 T117 T118 E295 | S114-S116 VanDerWaalsContact C-N 3.3Å; S114-S116 PolarHBondContact O-N 3.35Å; S114-T117 PolarHBondContact O-N 3.25Å; S114-T117 WeakPolarHBondContact OG-CB 3.32Å; S114-T117 PolarHBondContact OG-N 2.88Å; S114-T117 VanDerWaalsContact OG-N 3.15Å; S114-T117 PolarHBondContact OG-OG1 2.9Å; S114-T118 WeakPolarHBondContact O-CB 3.49Å; S114-T118 PolarHBondContact O-N 3.13Å; S114-T118 PolarHBondContact O-OG1 3.44Å; S114-E295 PolarHBondContact N-OE1 3.16Å; S114-E295 PolarHBondContact N-OE2 2.96Å; S114-E295 PolarHBondContact OG-OE2 3.12Å | ||
| 115 | L | 98.1 | Very high | 97.9 | Very high | 40 Ų | 40 | 44.9 Ų | 44.9 | 21% | 0.209 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.4 | -39 | 174.3 | -176.9 | 63.3 | 0 | 0 | 0 | 111.7 | T118 L119 L219 F250 P251 L286 | L115-T118 PolarHBondContact O-N 3.19Å; L115-L119 HydrophobicContact CD1-CD1 3.97Å; L115-L119 HydrophobicContact CD1-CD2 4.42Å; L115-L119 HydrophobicContact CD1-CG 3.93Å; L115-L119 HydrophobicContact CG-CD1 3.9Å; L115-L119 HydrophobicContact CG-CG 4.25Å; L115-L119 WeakPolarHBondContact O-CB 3.4Å; L115-L119 VanDerWaalsContact O-CG 3.27Å; L115-L119 WeakPolarHBondContact O-CG 3.38Å; L115-L119 PolarHBondContact O-N 2.81Å; L115-L219 HydrophobicContact CB-CD1 4.31Å; L115-L219 HydrophobicContact CD1-CD2 4.16Å; L115-F250 HydrophobicContact CD1-CD1 3.81Å; L115-F250 HydrophobicContact CD1-CE1 4.1Å; L115-P251 HydrophobicContact CD2-CG 4.42Å; L115-L286 HydrophobicContact CB-CD2 4.33Å; L115-L286 HydrophobicContact CD2-CD1 4.29Å; L115-L286 HydrophobicContact CD2-CD2 4.12Å; L115-L286 HydrophobicContact CG-CD2 3.98Å |
| 116 | S | 98.2 | Very high | 97.9 | Very high | 23 Ų | 23 | 44.7 Ų | 44.7 | 16% | 0.161 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.2 | -53.5 | 177 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | S114 T118 L119 R120 A288 | S114-S116 VanDerWaalsContact C-N 3.3Å; S114-S116 PolarHBondContact O-N 3.35Å; S116-T118 PolarHBondContact O-N 2.93Å; S116-L119 PolarHBondContact O-N 2.96Å; S116-R120 WeakPolarHBondContact O-CB 3.36Å; S116-R120 WeakPolarHBondContact O-CG 3.26Å; S116-R120 PolarHBondContact O-N 2.91Å; S116-R120 PolarHBondContact O-NE 3.18Å; S116-R120 PolarHBondContact OG-NE 3.03Å; S116-R120 VanDerWaalsContact OG-NE 3.08Å; S116-R120 PolarHBondContact OG-NH2 3.48Å; S116-A288 WeakPolarHBondContact OG-CB 3.34Å |
| 117 | T | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 177.9 | -70.4 | 0 | 0 | 0 | 0 | 111.6 | F113 S114 L119 R120 L121 F294 E295 W296 | F113-T117 HydrophobicContact CB-CG2 3.81Å; F113-T117 HydrophobicContact CD1-CG2 3.81Å; F113-T117 HydrophobicContact CD2-CG2 4.17Å; F113-T117 HydrophobicContact CE1-CG2 4.41Å; F113-T117 HydrophobicContact CG-CG2 3.67Å; S114-T117 PolarHBondContact O-N 3.25Å; S114-T117 WeakPolarHBondContact OG-CB 3.32Å; S114-T117 PolarHBondContact OG-N 2.88Å; S114-T117 VanDerWaalsContact OG-N 3.15Å; S114-T117 PolarHBondContact OG-OG1 2.9Å; T117-L119 PolarHBondContact O-N 3.38Å; T117-R120 PolarHBondContact O-N 3.18Å; T117-R120 PolarHBondContact OG1-NH2 2.85Å; T117-L121 HydrophobicContact CG2-CD1 3.77Å; T117-L121 HydrophobicContact CG2-CG 4.29Å; T117-L121 WeakPolarHBondContact O-CB 3.42Å; T117-L121 WeakPolarHBondContact O-CG 3.48Å; T117-L121 PolarHBondContact O-N 2.52Å; T117-F294 HydrophobicContact CG2-CD1 3.83Å; T117-F294 HydrophobicContact CG2-CE1 4.43Å; T117-E295 VanDerWaalsContact CB-OE2 3.29Å; T117-E295 WeakPolarHBondContact CB-OE2 3.43Å; T117-E295 PolarHBondContact OG1-OE2 2.67Å; T117-W296 HydrophobicContact CG2-CH2 4.3Å; T117-W296 HydrophobicContact CG2-CZ3 3.82Å |
| 118 | T | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59.4 | -44.4 | 179.4 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | S114 L115 S116 G122 M215 M218 L219 F250 | S114-T118 WeakPolarHBondContact O-CB 3.49Å; S114-T118 PolarHBondContact O-N 3.13Å; S114-T118 PolarHBondContact O-OG1 3.44Å; L115-T118 PolarHBondContact O-N 3.19Å; S116-T118 PolarHBondContact O-N 2.93Å; T118-G122 PolarHBondContact O-N 3.41Å; T118-M215 HydrophobicContact CG2-CB 3.94Å; T118-M215 HydrophobicContact CG2-CE 4.37Å; T118-M215 HydrophobicContact CG2-CG 4.26Å; T118-M218 HydrophobicContact CG2-CB 3.92Å; T118-M218 HydrophobicContact CG2-CE 4.43Å; T118-L219 HydrophobicContact CG2-CB 4.43Å; T118-F250 HydrophobicContact CG2-CE1 3.86Å; T118-F250 HydrophobicContact CG2-CZ 4.07Å |
| 119 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -71.1 | -39.9 | 179.7 | -69 | 177.1 | 0 | 0 | 0 | 112.5 | L115 S116 T117 G122 K123 M215 F250 F279 M282 L283 L286 | L115-L119 HydrophobicContact CD1-CD1 3.97Å; L115-L119 HydrophobicContact CD1-CD2 4.42Å; L115-L119 HydrophobicContact CD1-CG 3.93Å; L115-L119 HydrophobicContact CG-CD1 3.9Å; L115-L119 HydrophobicContact CG-CG 4.25Å; L115-L119 WeakPolarHBondContact O-CB 3.4Å; L115-L119 VanDerWaalsContact O-CG 3.27Å; L115-L119 WeakPolarHBondContact O-CG 3.38Å; L115-L119 PolarHBondContact O-N 2.81Å; S116-L119 PolarHBondContact O-N 2.96Å; T117-L119 PolarHBondContact O-N 3.38Å; L119-G122 PolarHBondContact O-N 3.36Å; L119-K123 PolarHBondContact O-N 2.93Å; L119-M215 HydrophobicContact CD2-CE 3.8Å; L119-F250 HydrophobicContact CD2-CD1 4.48Å; L119-F279 HydrophobicContact CD2-CD1 4.47Å; L119-F279 HydrophobicContact CD2-CE1 4.27Å; L119-F279 WeakPolarHBondContact O-CD1 3.43Å; L119-F279 WeakPolarHBondContact O-CE1 3.43Å; L119-M282 HydrophobicContact CD1-CB 4.01Å; L119-M282 HydrophobicContact CD2-CE 3.83Å; L119-M282 HydrophobicContact CD2-SD 3.99Å; L119-L283 HydrophobicContact CB-CD2 3.66Å; L119-L283 HydrophobicContact CB-CG 4.32Å; L119-L283 HydrophobicContact CD1-CD2 4.47Å; L119-L286 HydrophobicContact CD1-CD2 4.12Å |
| 120 | R | 98.4 | Very high | 98.3 | Very high | 12 Ų | 12 | 26.1 Ų | 26.1 | 5% | 0.045 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.5 | -39.8 | 177.2 | -73.1 | -176.7 | -68.6 | 135.2 | -8.7 | 112 | S116 T117 Q124 L283 N289 D292 P293 F294 | S116-R120 WeakPolarHBondContact O-CB 3.36Å; S116-R120 WeakPolarHBondContact O-CG 3.26Å; S116-R120 PolarHBondContact O-N 2.91Å; S116-R120 PolarHBondContact O-NE 3.18Å; S116-R120 PolarHBondContact OG-NE 3.03Å; S116-R120 VanDerWaalsContact OG-NE 3.08Å; S116-R120 PolarHBondContact OG-NH2 3.48Å; T117-R120 PolarHBondContact O-N 3.18Å; T117-R120 PolarHBondContact OG1-NH2 2.85Å; R120-Q124 PolarHBondContact O-N 3.08Å; R120-L283 HydrophobicContact CG-CD1 4.41Å; R120-L283 HydrophobicContact CG-CD2 3.65Å; R120-N289 VanDerWaalsContact CD-O 3.28Å; R120-N289 WeakPolarHBondContact CD-O 3.41Å; R120-D292 PolarHBondContact NH1-O 3.42Å; R120-P293 PolarHBondContact NH2-O 3.47Å; R120-F294 HydrophobicContact CB-CE1 3.91Å; R120-F294 HydrophobicContact CB-CZ 4.16Å; R120-F294 VanDerWaalsContact NH1-CE1 3.35Å |
| 121 | L | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64 | -49 | 171 | -74.7 | 176.5 | 0 | 0 | 0 | 111 | I101 F113 T117 K123 Q124 C125 L149 V158 M218 F294 W296 | I101-L121 HydrophobicContact CD1-CD1 4.22Å; I101-L121 HydrophobicContact CD1-CD2 3.83Å; I101-L121 HydrophobicContact CD1-CG 4.43Å; I101-L121 HydrophobicContact CG1-CD2 4.45Å; I101-L121 HydrophobicContact CG2-CD1 3.94Å; F113-L121 HydrophobicContact CD2-CD1 4.19Å; F113-L121 HydrophobicContact CE2-CD1 4.04Å; T117-L121 HydrophobicContact CG2-CD1 3.77Å; T117-L121 HydrophobicContact CG2-CG 4.29Å; T117-L121 WeakPolarHBondContact O-CB 3.42Å; T117-L121 WeakPolarHBondContact O-CG 3.48Å; T117-L121 PolarHBondContact O-N 2.52Å; L121-K123 VanDerWaalsContact C-N 3.28Å; L121-K123 PolarHBondContact O-N 3.09Å; L121-Q124 PolarHBondContact O-N 3.42Å; L121-C125 PolarHBondContact O-N 2.82Å; L121-C125 PolarHBondContact O-SG 3.07Å; L121-L149 HydrophobicContact CD2-CD2 4.33Å; L121-V158 HydrophobicContact CD2-CG2 3.5Å; L121-M218 HydrophobicContact CB-SD 4.47Å; L121-M218 HydrophobicContact CD1-SD 4.12Å; L121-F294 HydrophobicContact CD2-CE1 4.25Å; L121-F294 HydrophobicContact CG-CE1 4.14Å; L121-W296 HydrophobicContact CD1-CH2 3.96Å; L121-W296 HydrophobicContact CD1-CZ3 4.05Å; L121-W296 HydrophobicContact CD2-CH2 3.83Å; L121-W296 HydrophobicContact CG-CH2 4.16Å |
| 122 | G | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -55.1 | -40.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T118 L119 C125 L126 | T118-G122 PolarHBondContact O-N 3.41Å; L119-G122 PolarHBondContact O-N 3.36Å; G122-C125 PolarHBondContact O-N 3.18Å; G122-L126 WeakPolarHBondContact O-CB 3.1Å; G122-L126 PolarHBondContact O-N 3.45Å |
| 123 | K | 98.5 | Very high | 98.4 | Very high | 63 Ų | 63 | 15.3 Ų | 15.3 | 27% | 0.274 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 174.5 | -177.7 | -175.1 | 174.3 | -173.5 | 0 | 112.3 | L119 L121 L126 Q127 F279 L283 E290 | L119-K123 PolarHBondContact O-N 2.93Å; L121-K123 VanDerWaalsContact C-N 3.28Å; L121-K123 PolarHBondContact O-N 3.09Å; K123-L126 PolarHBondContact O-N 3.21Å; K123-Q127 PolarHBondContact O-N 3.09Å; K123-F279 HydrophobicContact CB-CB 4.32Å; K123-F279 HydrophobicContact CB-CD1 4Å; K123-F279 HydrophobicContact CB-CG 4.21Å; K123-F279 HydrophobicContact CG-CB 4.41Å; K123-L283 HydrophobicContact CD-CD1 3.94Å; K123-E290 IonicContact NZ-OE1 3.43Å; K123-E290 PolarHBondContact NZ-OE1 3.25Å |
| 124 | Q | 98.6 | Very high | 98.3 | Very high | 38 Ų | 38 | 19.9 Ų | 19.9 | 18% | 0.178 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -68.6 | -40.1 | 177.4 | -67.7 | -168.1 | 63.3 | 0 | 0 | 111.9 | H76 R120 L121 L126 Q127 A128 R156 V158 | H76-Q124 PolarHBondContact CE1-OE1 3.15Å; R120-Q124 PolarHBondContact O-N 3.08Å; L121-Q124 PolarHBondContact O-N 3.42Å; Q124-L126 VanDerWaalsContact C-N 3.32Å; Q124-L126 PolarHBondContact O-N 3.35Å; Q124-Q127 PolarHBondContact O-N 3.45Å; Q124-A128 PolarHBondContact O-N 3.3Å; Q124-R156 PolarHBondContact NE2-O 2.96Å; Q124-V158 HydrophobicContact CB-CB 3.9Å; Q124-V158 HydrophobicContact CB-CG2 3.85Å; Q124-V158 HydrophobicContact CG-CG2 4.45Å |
| 125 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 175.3 | -62.7 | 0 | 0 | 0 | 0 | 111.8 | L121 G122 A128 L129 F147 L211 | L121-C125 PolarHBondContact O-N 2.82Å; L121-C125 PolarHBondContact O-SG 3.07Å; G122-C125 PolarHBondContact O-N 3.18Å; C125-A128 PolarHBondContact O-N 2.7Å; C125-L129 WeakPolarHBondContact O-CG 3.43Å; C125-L129 PolarHBondContact O-N 3.46Å; C125-F147 HydrophobicContact CB-CD1 4.21Å; C125-F147 HydrophobicContact CB-CE1 3.64Å; C125-F147 HydrophobicContact CB-CE2 4.26Å; C125-F147 HydrophobicContact CB-CZ 3.68Å; C125-F147 VanDerWaalsContact SG-CD1 3.57Å; C125-L211 HydrophobicContact CB-CD1 3.48Å; C125-L211 VanDerWaalsContact CB-CD1 3.48Å; C125-L211 HydrophobicContact CB-CD2 4.14Å; C125-L211 HydrophobicContact CB-CG 4.48Å |
| 126 | L | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 17 Ų | 17 | 2% | 0.016 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 174.4 | 174.4 | 64.7 | 0 | 0 | 0 | 111.2 | G122 K123 Q124 A128 L129 Q130 L208 L211 Y272 F275 F279 | G122-L126 WeakPolarHBondContact O-CB 3.1Å; G122-L126 PolarHBondContact O-N 3.45Å; K123-L126 PolarHBondContact O-N 3.21Å; Q124-L126 VanDerWaalsContact C-N 3.32Å; Q124-L126 PolarHBondContact O-N 3.35Å; L126-A128 VanDerWaalsContact C-N 3.33Å; L126-A128 PolarHBondContact O-N 3.22Å; L126-L129 PolarHBondContact O-N 3.33Å; L126-Q130 PolarHBondContact O-N 3.35Å; L126-L208 HydrophobicContact CD1-CD2 3.56Å; L126-L211 HydrophobicContact CB-CD2 4.09Å; L126-Y272 HydrophobicContact CD1-CD1 4.44Å; L126-F275 HydrophobicContact CD1-CB 4.14Å; L126-F275 HydrophobicContact CD2-CB 3.71Å; L126-F279 HydrophobicContact CB-CE2 4.35Å; L126-F279 HydrophobicContact CD2-CD2 3.68Å; L126-F279 HydrophobicContact CD2-CE2 3.91Å |
| 127 | Q | 98.5 | Very high | 98.1 | Very high | 54 Ų | 54 | 16.3 Ų | 16.3 | 25% | 0.252 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -60.2 | -43.7 | 176.5 | -173.6 | 65.5 | 57 | 0 | 0 | 111.7 | K123 Q124 L129 Q130 D131 H276 | K123-Q127 PolarHBondContact O-N 3.09Å; Q124-Q127 PolarHBondContact O-N 3.45Å; Q127-L129 VanDerWaalsContact C-N 3.33Å; Q127-L129 PolarHBondContact O-N 3.34Å; Q127-Q130 PolarHBondContact O-N 2.98Å; Q127-D131 PolarHBondContact NE2-OD1 2.93Å; Q127-D131 WeakPolarHBondContact O-CB 3.45Å; Q127-D131 VanDerWaalsContact O-CG 3.24Å; Q127-D131 PolarHBondContact O-N 3.47Å; Q127-H276 PolarHBondContact OE1-CE1 3.18Å |
| 128 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H76 F77 Q124 C125 L126 L132 F147 L160 | H76-A128 HydrophobicContact CB-CB 3.54Å; F77-A128 VanDerWaalsContact CZ-O 3.24Å; F77-A128 WeakPolarHBondContact CZ-O 3.18Å; Q124-A128 PolarHBondContact O-N 3.3Å; C125-A128 PolarHBondContact O-N 2.7Å; L126-A128 VanDerWaalsContact C-N 3.33Å; L126-A128 PolarHBondContact O-N 3.22Å; A128-L132 PolarHBondContact O-N 3.01Å; A128-L132 VanDerWaalsContact O-N 3.07Å; A128-F147 HydrophobicContact CB-CE1 4.47Å; A128-L160 HydrophobicContact CB-CB 4Å; A128-L160 HydrophobicContact CB-CD2 4.49Å |
| 129 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.5 | -42.5 | 176.9 | -68.8 | 175.1 | 0 | 0 | 0 | 111.8 | C125 L126 Q127 D131 L132 H133 H139 V142 L160 D207 L208 L211 | C125-L129 WeakPolarHBondContact O-CG 3.43Å; C125-L129 PolarHBondContact O-N 3.46Å; L126-L129 PolarHBondContact O-N 3.33Å; Q127-L129 VanDerWaalsContact C-N 3.33Å; Q127-L129 PolarHBondContact O-N 3.34Å; L129-D131 PolarHBondContact O-N 3.41Å; L129-L132 PolarHBondContact O-N 3.47Å; L129-H133 WeakPolarHBondContact O-CB 3.49Å; L129-H133 PolarHBondContact O-N 3.29Å; L129-H133 PolarHBondContact O-ND1 2.93Å; L129-H133 VanDerWaalsContact O-ND1 3.12Å; L129-H139 HydrophobicContact CD2-CB 4.17Å; L129-V142 HydrophobicContact CD1-CG1 4.18Å; L129-V142 HydrophobicContact CD1-CG2 4.23Å; L129-V142 HydrophobicContact CD2-CG2 3.7Å; L129-L160 HydrophobicContact CD2-CD2 4.06Å; L129-D207 HydrophobicContact CD1-CB 4.39Å; L129-D207 HydrophobicContact CD2-CB 4.27Å; L129-L208 HydrophobicContact CB-CD2 4.29Å; L129-L208 HydrophobicContact CD1-CD2 4.05Å; L129-L211 HydrophobicContact CD1-CB 4.05Å; L129-L211 HydrophobicContact CD1-CD2 4.1Å |
| 130 | Q | 98.5 | Very high | 97.9 | Very high | 25 Ų | 25 | 17.9 Ų | 17.9 | 12% | 0.117 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -56.4 | -51.2 | 174 | 178.4 | -178.8 | -10.9 | 0 | 0 | 111.1 | L126 Q127 L132 H133 E134 Y272 H276 | L126-Q130 PolarHBondContact O-N 3.35Å; Q127-Q130 PolarHBondContact O-N 2.98Å; Q130-L132 VanDerWaalsContact C-N 3.26Å; Q130-L132 PolarHBondContact O-N 3.41Å; Q130-H133 PolarHBondContact O-N 3.48Å; Q130-H133 VanDerWaalsContact O-N 3.09Å; Q130-E134 HydrophobicContact CG-CG 4.36Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.32Å; Q130-E134 PolarHBondContact NE2-OE1 3.44Å; Q130-E134 WeakPolarHBondContact O-CG 3.11Å; Q130-E134 PolarHBondContact O-N 3.38Å; Q130-Y272 HydrophobicContact CB-CD1 3.74Å; Q130-Y272 HydrophobicContact CB-CE1 3.92Å; Q130-Y272 HydrophobicContact CB-CG 4.26Å; Q130-Y272 HydrophobicContact CG-CD1 3.86Å; Q130-Y272 HydrophobicContact CG-CD2 4.14Å; Q130-Y272 HydrophobicContact CG-CE1 4.2Å; Q130-Y272 HydrophobicContact CG-CE2 4.45Å; Q130-Y272 HydrophobicContact CG-CG 3.85Å; Q130-H276 PolarHBondContact OE1-CD2 3.42Å; Q130-H276 PolarHBondContact OE1-NE2 3.29Å |
| 131 | D | 98.2 | Very high | 97.8 | Very high | 10 Ų | 10 | 17.9 Ų | 17.9 | 5% | 0.053 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -58 | -38.5 | 178.9 | -72.1 | 0.1 | 0 | 0 | 0 | 111.8 | H74 F77 Q127 L129 V135 | H74-D131 IonicContact CD2-OD2 3.67Å; F77-D131 HydrophobicContact CE2-CB 3.51Å; F77-D131 HydrophobicContact CZ-CB 3.92Å; Q127-D131 PolarHBondContact NE2-OD1 2.93Å; Q127-D131 WeakPolarHBondContact O-CB 3.45Å; Q127-D131 VanDerWaalsContact O-CG 3.24Å; Q127-D131 PolarHBondContact O-N 3.47Å; L129-D131 PolarHBondContact O-N 3.41Å; D131-V135 PolarHBondContact O-N 3.38Å |
| 132 | L | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.5 | -43.8 | 175.4 | -178 | 68.7 | 0 | 0 | 0 | 111.6 | I66 F70 F77 A128 L129 Q130 E134 V135 G136 Y137 H139 L160 F163 | I66-L132 HydrophobicContact CG2-CD1 3.79Å; F70-L132 HydrophobicContact CE1-CD1 4.2Å; F70-L132 HydrophobicContact CZ-CD1 3.77Å; F77-L132 HydrophobicContact CE1-CB 4.31Å; F77-L132 HydrophobicContact CE1-CD1 4.4Å; F77-L132 HydrophobicContact CZ-CB 4.06Å; A128-L132 PolarHBondContact O-N 3.01Å; A128-L132 VanDerWaalsContact O-N 3.07Å; L129-L132 PolarHBondContact O-N 3.47Å; Q130-L132 VanDerWaalsContact C-N 3.26Å; Q130-L132 PolarHBondContact O-N 3.41Å; L132-E134 VanDerWaalsContact C-N 3.33Å; L132-V135 HydrophobicContact CD1-CG2 4.39Å; L132-V135 WeakPolarHBondContact O-CG2 3.35Å; L132-V135 PolarHBondContact O-N 2.9Å; L132-G136 PolarHBondContact O-N 3.1Å; L132-Y137 CarbonylContact C-O 3.53Å; L132-Y137 WeakPolarHBondContact CG-O 3.29Å; L132-Y137 PolarHBondContact O-N 3.29Å; L132-H139 HydrophobicContact CD2-CB 3.64Å; L132-L160 HydrophobicContact CB-CD2 4.41Å; L132-L160 HydrophobicContact CD2-CD2 3.95Å; L132-F163 HydrophobicContact CD1-CD1 4.39Å; L132-F163 HydrophobicContact CD1-CE1 4.27Å |
| 133 | H | 97.9 | Very high | 97.8 | Very high | 5 Ų | 5 | 19.7 Ų | 19.7 | 2% | 0.023 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.8 | -37.6 | 178.8 | -59.9 | 153.5 | 0 | 0 | 0 | 111.5 | L129 Q130 V135 G136 Y137 F169 D207 Y272 | L129-H133 WeakPolarHBondContact O-CB 3.49Å; L129-H133 PolarHBondContact O-N 3.29Å; L129-H133 PolarHBondContact O-ND1 2.93Å; L129-H133 VanDerWaalsContact O-ND1 3.12Å; Q130-H133 PolarHBondContact O-N 3.48Å; Q130-H133 VanDerWaalsContact O-N 3.09Å; H133-V135 VanDerWaalsContact C-N 3.29Å; H133-V135 PolarHBondContact O-N 2.8Å; H133-G136 WeakPolarHBondContact O-CA 3.45Å; H133-G136 PolarHBondContact O-N 3.03Å; H133-Y137 WeakPolarHBondContact CA-O 3.35Å; H133-Y137 PolarHBondContact CD2-O 2.81Å; H133-Y137 VanDerWaalsContact CD2-O 3.27Å; H133-F169 HydrophobicContact CB-CE1 4.31Å; H133-F169 HydrophobicContact CB-CZ 4.28Å; H133-F169 WeakPolarHBondContact O-CE1 3.23Å; H133-D207 IonicContact NE2-OD2 3.97Å; H133-D207 PolarHBondContact NE2-OD2 3.4Å; H133-D207 VanDerWaalsContact NE2-OD2 3.09Å; H133-Y272 WeakPolarHBondContact CB-OH 3.33Å; H133-Y272 VanDerWaalsContact CG-OH 3.32Å; H133-Y272 AromaticContact ND1-CE1 3.8Å; H133-Y272 AromaticContact ND1-CZ 3.61Å; H133-Y272 PolarHBondContact ND1-OH 2.9Å |
| 134 | E | 95.8 | Very high | 97.7 | Very high | 98 Ų | 98 | 16.7 Ų | 16.7 | 46% | 0.458 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -61.8 | -33.4 | 175.7 | -77.2 | 179 | -167.4 | 0 | 0 | 112.7 | Q130 L132 G136 | Q130-E134 HydrophobicContact CG-CG 4.36Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.32Å; Q130-E134 PolarHBondContact NE2-OE1 3.44Å; Q130-E134 WeakPolarHBondContact O-CG 3.11Å; Q130-E134 PolarHBondContact O-N 3.38Å; L132-E134 VanDerWaalsContact C-N 3.33Å; E134-G136 PolarHBondContact O-N 3.03Å |
| 135 | V | 95.5 | Very high | 97.6 | Very high | 23 Ų | 23 | 16.9 Ų | 16.9 | 14% | 0.139 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | 2.8 | 173.6 | -58.9 | 0 | 0 | 0 | 0 | 113.7 | R69 F70 D131 L132 H133 Y137 | R69-V135 HydrophobicContact CB-CB 3.85Å; R69-V135 HydrophobicContact CB-CG1 4.04Å; R69-V135 HydrophobicContact CB-CG2 4.23Å; R69-V135 HydrophobicContact CG-CB 4.49Å; R69-V135 PolarHBondContact NH1-O 3.41Å; F70-V135 HydrophobicContact CD1-CG1 4.35Å; F70-V135 HydrophobicContact CD1-CG2 4.29Å; F70-V135 HydrophobicContact CE1-CG1 4.48Å; F70-V135 HydrophobicContact CE1-CG2 3.65Å; F70-V135 HydrophobicContact CZ-CG2 4.45Å; D131-V135 PolarHBondContact O-N 3.38Å; L132-V135 HydrophobicContact CD1-CG2 4.39Å; L132-V135 WeakPolarHBondContact O-CG2 3.35Å; L132-V135 PolarHBondContact O-N 2.9Å; H133-V135 VanDerWaalsContact C-N 3.29Å; H133-V135 PolarHBondContact O-N 2.8Å; V135-Y137 HydrophobicContact CG2-CD2 4.28Å; V135-Y137 WeakPolarHBondContact O-CD2 3.32Å |
| 136 | G | 96.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 17.3 Ų | 17.3 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.4 | 16.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L132 H133 E134 Q168 F169 L170 | L132-G136 PolarHBondContact O-N 3.1Å; H133-G136 WeakPolarHBondContact O-CA 3.45Å; H133-G136 PolarHBondContact O-N 3.03Å; E134-G136 PolarHBondContact O-N 3.03Å; G136-Q168 CarbonylContact O-C 3.6Å; G136-Q168 WeakPolarHBondContact O-CA 3.43Å; G136-F169 VanDerWaalsContact C-CD1 3.45Å; G136-F169 VanDerWaalsContact C-CE1 3.46Å; G136-F169 VanDerWaalsContact O-CD1 3.26Å; G136-F169 WeakPolarHBondContact O-CD1 3.41Å; G136-F169 PolarHBondContact O-N 3.19Å; G136-L170 PolarHBondContact O-N 2.94Å |
| 137 | Y | 97.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 17.2 Ų | 17.2 | 4% | 0.035 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 147.4 | -177.6 | -69.8 | -95.1 | 0 | 0 | 0 | 112 | I66 R69 L132 H133 V135 R167 Q168 | I66-Y137 HydrophobicContact CD1-CD1 3.53Å; I66-Y137 HydrophobicContact CD1-CE1 3.9Å; I66-Y137 HydrophobicContact CD1-CG 4.01Å; I66-Y137 HydrophobicContact CG1-CD1 3.43Å; I66-Y137 VanDerWaalsContact CG1-CD1 3.43Å; I66-Y137 HydrophobicContact CG1-CD2 3.98Å; I66-Y137 HydrophobicContact CG1-CE1 3.45Å; I66-Y137 VanDerWaalsContact CG1-CE1 3.45Å; I66-Y137 HydrophobicContact CG1-CE2 4.02Å; I66-Y137 HydrophobicContact CG1-CG 3.69Å; R69-Y137 HydrophobicContact CG-CE2 4.33Å; L132-Y137 CarbonylContact C-O 3.53Å; L132-Y137 WeakPolarHBondContact CG-O 3.29Å; L132-Y137 PolarHBondContact O-N 3.29Å; H133-Y137 WeakPolarHBondContact CA-O 3.35Å; H133-Y137 PolarHBondContact CD2-O 2.81Å; H133-Y137 VanDerWaalsContact CD2-O 3.27Å; V135-Y137 HydrophobicContact CG2-CD2 4.28Å; V135-Y137 WeakPolarHBondContact O-CD2 3.32Å; Y137-R167 CarbonylContact C-O 3.58Å; Y137-R167 WeakPolarHBondContact CA-O 3.34Å; Y137-Q168 HydrophobicContact CD1-CB 3.88Å; Y137-Q168 HydrophobicContact CE1-CB 3.56Å; Y137-Q168 HydrophobicContact CE1-CG 4.13Å; Y137-Q168 HydrophobicContact CE2-CG 4.46Å |
| 138 | L | 97.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.01 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 146.7 | 165.7 | -56.6 | 174.8 | 0 | 0 | 0 | 109 | R140 S166 R167 F169 Q202 P204 D207 | L138-R140 HydrophobicContact CB-CG 3.77Å; L138-S166 CarbonylContact O-C 3.56Å; L138-S166 WeakPolarHBondContact O-CA 3.43Å; L138-S166 WeakPolarHBondContact O-CB 3.36Å; L138-S166 PolarHBondContact O-OG 2.96Å; L138-R167 PolarHBondContact N-O 3.24Å; L138-R167 PolarHBondContact O-N 3.41Å; L138-F169 HydrophobicContact CD1-CB 4.03Å; L138-F169 HydrophobicContact CD1-CG 4.4Å; L138-F169 HydrophobicContact CD2-CD1 3.69Å; L138-F169 HydrophobicContact CD2-CE1 4.01Å; L138-F169 HydrophobicContact CD2-CG 4.01Å; L138-F169 HydrophobicContact CG-CB 3.98Å; L138-F169 HydrophobicContact CG-CD1 3.7Å; L138-F169 HydrophobicContact CG-CE1 4.46Å; L138-F169 HydrophobicContact CG-CG 3.96Å; L138-Q202 HydrophobicContact CD1-CB 4.38Å; L138-Q202 WeakPolarHBondContact CD1-O 3.49Å; L138-P204 HydrophobicContact CD2-CB 4.24Å; L138-P204 HydrophobicContact CD2-CG 3.73Å; L138-D207 WeakPolarHBondContact CA-OD2 3.23Å |
| 139 | H | 97.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -76 | -48.8 | 174.6 | -167.8 | -89.9 | 0 | 0 | 0 | 111.8 | L129 L132 D141 V142 I161 D162 L165 S166 D207 | L129-H139 HydrophobicContact CD2-CB 4.17Å; L132-H139 HydrophobicContact CD2-CB 3.64Å; H139-D141 PolarHBondContact CE1-O 2.87Å; H139-D141 VanDerWaalsContact CE1-O 3.24Å; H139-D141 PolarHBondContact ND1-N 3.44Å; H139-D141 PolarHBondContact ND1-O 2.92Å; H139-D141 PolarHBondContact O-N 3.26Å; H139-V142 HydrophobicContact CB-CG2 3.88Å; H139-V142 PolarHBondContact ND1-N 3.47Å; H139-I161 PolarHBondContact NE2-O 3.42Å; H139-D162 PolarHBondContact NE2-O 2.97Å; H139-L165 CarbonylContact O-C 3.53Å; H139-S166 WeakPolarHBondContact O-CA 3.3Å; H139-S166 PolarHBondContact O-N 3.41Å; H139-D207 PolarHBondContact N-OD2 2.89Å | ||
| 140 | R | 96.5 | Very high | 97.4 | Very high | 32 Ų | 32 | 15.5 Ų | 15.5 | 12% | 0.121 | 8% | 0.08 | C | C | . | . | S | Bend | trans | 69.1 | -6.1 | 179.3 | -52 | -160.6 | -64.6 | 157.5 | 1.5 | 117 | L138 L165 R167 G187 D207 | L138-R140 HydrophobicContact CB-CG 3.77Å; R140-L165 PolarHBondContact NE-O 2.92Å; R140-L165 PolarHBondContact NH2-O 3.34Å; R140-R167 VanDerWaalsContact NE-CB 3.32Å; R140-G187 WeakPolarHBondContact O-CA 3.43Å; R140-D207 WeakPolarHBondContact CA-OD1 3.36Å; R140-D207 PolarHBondContact N-OD1 2.82Å |
| 141 | D | 96.3 | Very high | 97.3 | Very high | 13 Ų | 13 | 18.1 Ų | 18.1 | 7% | 0.07 | 9% | 0.094 | C | C | . | . | trans | -137.3 | 51.6 | 174.6 | -166.1 | 39.6 | 0 | 0 | 0 | 112.5 | H139 K143 N146 L165 T188 | H139-D141 PolarHBondContact CE1-O 2.87Å; H139-D141 VanDerWaalsContact CE1-O 3.24Å; H139-D141 PolarHBondContact ND1-N 3.44Å; H139-D141 PolarHBondContact ND1-O 2.92Å; H139-D141 PolarHBondContact O-N 3.26Å; D141-K143 PolarHBondContact O-N 3.35Å; D141-K143 IonicContact OD1-NZ 2.78Å; D141-K143 PolarHBondContact OD1-NZ 2.88Å; D141-K143 WeakPolarHBondContact OD2-CE 3.48Å; D141-K143 IonicContact OD2-NZ 3.99Å; D141-K143 PolarHBondContact OD2-NZ 2.91Å; D141-N146 PolarHBondContact O-ND2 2.98Å; D141-N146 PolarHBondContact OD2-ND2 2.91Å; D141-L165 HydrophobicContact CB-CB 4.28Å; D141-L165 HydrophobicContact CB-CD1 3.73Å; D141-T188 WeakPolarHBondContact OD1-CB 3.47Å; D141-T188 PolarHBondContact OD1-N 2.94Å; D141-T188 PolarHBondContact OD1-OG1 3.11Å | ||
| 142 | V | 98.5 | Very high | 97 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | trans | -72.2 | 115 | -179.3 | 178.6 | 0 | 0 | 0 | 0 | 110.2 | L129 H139 F147 D207 L211 T214 | L129-V142 HydrophobicContact CD1-CG1 4.18Å; L129-V142 HydrophobicContact CD1-CG2 4.23Å; L129-V142 HydrophobicContact CD2-CG2 3.7Å; H139-V142 HydrophobicContact CB-CG2 3.88Å; H139-V142 PolarHBondContact ND1-N 3.47Å; V142-F147 HydrophobicContact CG1-CE2 3.77Å; V142-F147 HydrophobicContact CG1-CZ 4.04Å; V142-D207 HydrophobicContact CG2-CB 3.84Å; V142-D207 WeakPolarHBondContact CG2-OD1 3.45Å; V142-L211 HydrophobicContact CG1-CB 4.12Å; V142-T214 PolarHBondContact O-OG1 3.41Å | ||
| 143 | K | 97.7 | Very high | 96.7 | Very high | 35 Ų | 35 | 29.1 Ų | 29.1 | 15% | 0.152 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -160.4 | 162 | 177.4 | 66.3 | -162.3 | -173.2 | -155.4 | 0 | 110.8 | D141 S145 N146 F147 T188 Y191 T214 | D141-K143 PolarHBondContact O-N 3.35Å; D141-K143 IonicContact OD1-NZ 2.78Å; D141-K143 PolarHBondContact OD1-NZ 2.88Å; D141-K143 WeakPolarHBondContact OD2-CE 3.48Å; D141-K143 IonicContact OD2-NZ 3.99Å; D141-K143 PolarHBondContact OD2-NZ 2.91Å; K143-S145 WeakPolarHBondContact CE-OG 3.46Å; K143-S145 WeakPolarHBondContact CG-OG 3.26Å; K143-S145 PolarHBondContact O-N 2.9Å; K143-N146 HydrophobicContact CG-CB 4.39Å; K143-N146 PolarHBondContact O-N 3.1Å; K143-F147 WeakPolarHBondContact O-CD2 3.3Å; K143-T188 HydrophobicContact CD-CG2 4.45Å; K143-T188 WeakPolarHBondContact CD-OG1 3.26Å; K143-T188 PolarHBondContact NZ-OG1 3.27Å; K143-Y191 HydrophobicContact CB-CD1 4.48Å; K143-Y191 HydrophobicContact CB-CD2 3.52Å; K143-Y191 HydrophobicContact CB-CE2 3.58Å; K143-Y191 HydrophobicContact CB-CG 4.01Å; K143-Y191 HydrophobicContact CD-CD2 4.19Å; K143-Y191 HydrophobicContact CD-CE2 4.07Å; K143-Y191 HydrophobicContact CG-CD2 4.5Å; K143-Y191 HydrophobicContact CG-CE2 4.4Å; K143-T214 WeakPolarHBondContact CA-OG1 3.44Å |
| 144 | A | 97.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -61.4 | -22.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | I101 D102 N146 T214 | I101-A144 HydrophobicContact CB-CB 4.43Å; I101-A144 HydrophobicContact CG2-CB 4.27Å; I101-A144 PolarHBondContact N-O 3Å; D102-A144 HydrophobicContact CB-CB 3.82Å; D102-A144 PolarHBondContact N-O 2.8Å; D102-A144 VanDerWaalsContact N-O 3.1Å; A144-N146 VanDerWaalsContact C-N 3.31Å; A144-T214 HydrophobicContact CB-CG2 3.8Å; A144-T214 VanDerWaalsContact N-CG2 3.26Å |
| 145 | S | 96.5 | Very high | 96.5 | Very high | 42 Ų | 42 | 32.9 Ų | 32.9 | 29% | 0.294 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -74.1 | -22.4 | 175.7 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | S100 K143 F147 | S100-S145 VanDerWaalsContact CB-O 3.32Å; S100-S145 WeakPolarHBondContact CB-O 3.4Å; K143-S145 WeakPolarHBondContact CE-OG 3.46Å; K143-S145 WeakPolarHBondContact CG-OG 3.26Å; K143-S145 PolarHBondContact O-N 2.9Å; S145-F147 VanDerWaalsContact C-N 3.34Å |
| 146 | N | 97.4 | Very high | 96.5 | Very high | 9 Ų | 9 | 35 Ų | 35 | 5% | 0.048 | 17% | 0.171 | C | C | . | . | G | 310 helix | trans | -96.3 | 8.8 | -178.5 | -65.9 | -4.8 | 0 | 0 | 0 | 112.3 | D141 K143 A144 I161 | D141-N146 PolarHBondContact O-ND2 2.98Å; D141-N146 PolarHBondContact OD2-ND2 2.91Å; K143-N146 HydrophobicContact CG-CB 4.39Å; K143-N146 PolarHBondContact O-N 3.1Å; A144-N146 VanDerWaalsContact C-N 3.31Å; N146-I161 VanDerWaalsContact O-CG1 3.23Å; N146-I161 WeakPolarHBondContact O-CG1 3.42Å; N146-I161 PolarHBondContact O-N 3.02Å |
| 147 | F | 98.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 126.2 | 165.5 | -67.3 | -78.3 | 0 | 0 | 0 | 108.8 | S100 I101 C125 A128 V142 K143 S145 V158 Y159 L160 | S100-F147 CarbonylContact C-O 3.53Å; S100-F147 WeakPolarHBondContact CA-O 3.21Å; I101-F147 HydrophobicContact CD1-CB 3.52Å; I101-F147 HydrophobicContact CD1-CG 4.38Å; I101-F147 HydrophobicContact CG1-CB 4Å; I101-F147 PolarHBondContact N-O 3.47Å; C125-F147 HydrophobicContact CB-CD1 4.21Å; C125-F147 HydrophobicContact CB-CE1 3.64Å; C125-F147 HydrophobicContact CB-CE2 4.26Å; C125-F147 HydrophobicContact CB-CZ 3.68Å; C125-F147 VanDerWaalsContact SG-CD1 3.57Å; A128-F147 HydrophobicContact CB-CE1 4.47Å; V142-F147 HydrophobicContact CG1-CE2 3.77Å; V142-F147 HydrophobicContact CG1-CZ 4.04Å; K143-F147 WeakPolarHBondContact O-CD2 3.3Å; S145-F147 VanDerWaalsContact C-N 3.34Å; F147-V158 HydrophobicContact CB-CG1 3.9Å; F147-V158 HydrophobicContact CD1-CG1 3.66Å; F147-V158 HydrophobicContact CG-CG1 4.16Å; F147-Y159 CarbonylContact C-O 3.57Å; F147-Y159 VanDerWaalsContact CA-O 3.3Å; F147-Y159 WeakPolarHBondContact CA-O 3.42Å; F147-L160 HydrophobicContact CD1-CB 4.34Å; F147-L160 HydrophobicContact CD1-CD1 3.97Å; F147-L160 HydrophobicContact CE1-CB 4.19Å; F147-L160 HydrophobicContact CE1-CD1 3.53Å; F147-L160 HydrophobicContact CE1-CG 4.38Å; F147-L160 HydrophobicContact CZ-CD1 3.84Å |
| 148 | A | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 149.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V97 C99 V158 Y159 I161 | V97-A148 HydrophobicContact CB-CB 4.09Å; V97-A148 HydrophobicContact CG2-CB 3.61Å; C99-A148 WeakPolarHBondContact O-CA 3.37Å; A148-V158 CarbonylContact O-C 3.6Å; A148-V158 WeakPolarHBondContact O-CA 3.36Å; A148-Y159 PolarHBondContact N-O 3.17Å; A148-Y159 PolarHBondContact O-N 3.29Å; A148-I161 HydrophobicContact CB-CD1 4.13Å; A148-I161 HydrophobicContact CB-CG2 4.47Å |
| 149 | L | 98.1 | Very high | 96.7 | Very high | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.052 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 153.2 | 169 | -59.7 | -179.3 | 0 | 0 | 0 | 109.9 | G98 C99 I101 V104 L121 R157 V158 W296 | G98-L149 VanDerWaalsContact CA-O 3.25Å; G98-L149 WeakPolarHBondContact CA-O 3.23Å; G98-L149 PolarHBondContact N-O 3.46Å; C99-L149 PolarHBondContact O-N 3.35Å; I101-L149 HydrophobicContact CG1-CD2 4.3Å; V104-L149 HydrophobicContact CG2-CD1 3.88Å; L121-L149 HydrophobicContact CD2-CD2 4.33Å; L149-R157 CarbonylContact C-O 3.44Å; L149-R157 WeakPolarHBondContact CA-O 3.32Å; L149-V158 HydrophobicContact CD2-CG2 4.45Å; L149-W296 HydrophobicContact CD1-CD2 3.84Å; L149-W296 HydrophobicContact CD1-CE3 4.4Å; L149-W296 HydrophobicContact CD1-CG 4.32Å; L149-W296 HydrophobicContact CD1-CH2 4.17Å; L149-W296 HydrophobicContact CD1-CZ2 3.56Å; L149-W296 HydrophobicContact CD2-CH2 4.02Å; L149-W296 HydrophobicContact CD2-CZ2 3.68Å; L149-W296 HydrophobicContact CG-CZ2 4.29Å |
| 150 | G | 97.2 | Very high | 96.7 | Very high | 7 Ų | 7 | 39 Ų | 39 | 7% | 0.072 | 19% | 0.186 | C | C | . | . | P | Polyproline II helix | trans | -66.6 | 168 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y154 H155 R157 Y159 | G150-Y154 VanDerWaalsContact CA-O 3.26Å; G150-Y154 WeakPolarHBondContact CA-O 3.36Å; G150-Y154 PolarHBondContact N-O 3.46Å; G150-H155 WeakPolarHBondContact O-CA 3.42Å; G150-R157 PolarHBondContact N-O 3.37Å; G150-Y159 VanDerWaalsContact CA-CE2 3.5Å |
| 151 | I | 95.3 | Very high | 96.7 | Very high | 80 Ų | 80 | 39.6 Ų | 39.6 | 41% | 0.41 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -92.1 | 156.5 | 164.2 | 58.5 | 177.5 | 0 | 0 | 0 | 109.1 | Y154 | I151-Y154 CarbonylContact O-C 3.56Å; I151-Y154 WeakPolarHBondContact O-CA 3.28Å; I151-Y154 WeakPolarHBondContact O-CB 3.37Å; I151-Y154 PolarHBondContact O-N 2.84Å |
| 152 | H | 92.3 | Very high | 96.5 | Very high | 159 Ų | 159 | 41.9 Ų | 41.9 | 74% | 0.736 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | 134 | 177.8 | -179.7 | 82.5 | 0 | 0 | 0 | 111.4 | ||
| 153 | P | 93.3 | Very high | 96.3 | Very high | 81 Ų | 81 | 41.9 Ų | 41.9 | 53% | 0.526 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -87.7 | 8 | 5.6 | 36.2 | -37.1 | 0 | 0 | 0 | 115.1 | ||
| 154 | Y | 95 | Very high | 95.9 | Very high | 118 Ų | 118 | 40.6 Ų | 40.6 | 46% | 0.463 | 20% | 0.199 | S | C | . | . | trans | -97.1 | 23.2 | -174.4 | -53.3 | -70.6 | 0 | 0 | 0 | 114 | G150 I151 R156 R157 | G150-Y154 VanDerWaalsContact CA-O 3.26Å; G150-Y154 WeakPolarHBondContact CA-O 3.36Å; G150-Y154 PolarHBondContact N-O 3.46Å; I151-Y154 CarbonylContact O-C 3.56Å; I151-Y154 WeakPolarHBondContact O-CA 3.28Å; I151-Y154 WeakPolarHBondContact O-CB 3.37Å; I151-Y154 PolarHBondContact O-N 2.84Å; Y154-R156 PolarHBondContact O-N 2.86Å; Y154-R157 WeakPolarHBondContact O-CB 3.38Å; Y154-R157 PolarHBondContact O-N 3Å | ||
| 155 | H | 94.1 | Very high | 95.7 | Very high | 65 Ų | 65 | 41.7 Ų | 41.7 | 30% | 0.301 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.9 | -174.3 | 64.9 | -75.6 | 0 | 0 | 0 | 114.7 | G150 E297 | G150-H155 WeakPolarHBondContact O-CA 3.42Å; H155-E297 IonicContact CD2-OE1 3.72Å; H155-E297 PolarHBondContact CD2-OE1 2.96Å; H155-E297 IonicContact CE1-OE1 3.58Å; H155-E297 IonicContact NE2-OE1 3.76Å; H155-E297 PolarHBondContact NE2-OE1 3.23Å |
| 156 | R | 95.7 | Very high | 95.6 | Very high | 66 Ų | 66 | 40.1 Ų | 40.1 | 25% | 0.249 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -7.2 | 174.3 | -60.8 | 177.6 | 71 | 107.3 | -2 | 113.9 | Q124 Y154 E290 D291 D292 F294 E297 | Q124-R156 PolarHBondContact NE2-O 2.96Å; Y154-R156 PolarHBondContact O-N 2.86Å; R156-E290 PolarHBondContact NH2-O 2.94Å; R156-D291 PolarHBondContact NH1-O 2.88Å; R156-D291 PolarHBondContact NH2-O 3.39Å; R156-D292 PolarHBondContact NH2-O 2.93Å; R156-F294 HydrophobicContact CB-CD2 4.44Å; R156-F294 HydrophobicContact CB-CE2 4.02Å; R156-F294 HydrophobicContact CG-CD2 4.22Å; R156-F294 HydrophobicContact CG-CE2 4.25Å; R156-E297 WeakPolarHBondContact CD-OE1 3.42Å; R156-E297 WeakPolarHBondContact CG-OE1 3.48Å; R156-E297 IonicContact CZ-OE1 2.71Å; R156-E297 IonicContact CZ-OE2 3.5Å; R156-E297 IonicContact NE-OE1 3.68Å; R156-E297 VanDerWaalsContact NH1-CD 3.34Å; R156-E297 IonicContact NH1-OE1 2.61Å; R156-E297 PolarHBondContact NH1-OE1 3.27Å; R156-E297 IonicContact NH1-OE2 3.82Å; R156-E297 PolarHBondContact NH1-OE2 3.2Å |
| 157 | R | 97.5 | Very high | 95.5 | Very high | 76 Ų | 76 | 42.5 Ų | 42.5 | 29% | 0.287 | 20% | 0.202 | S | C | . | . | trans | -92.4 | 135.3 | -178.4 | -171.6 | -179.7 | -62.5 | 178.4 | 0.8 | 110.7 | K75 L149 G150 Y154 Y159 | K75-R157 VanDerWaalsContact O-CD 3.26Å; K75-R157 WeakPolarHBondContact O-CD 3.41Å; L149-R157 CarbonylContact C-O 3.44Å; L149-R157 WeakPolarHBondContact CA-O 3.32Å; G150-R157 PolarHBondContact N-O 3.37Å; Y154-R157 WeakPolarHBondContact O-CB 3.38Å; Y154-R157 PolarHBondContact O-N 3Å; R157-Y159 HydrophobicContact CB-CE2 4.02Å; R157-Y159 HydrophobicContact CG-CD2 4.47Å; R157-Y159 HydrophobicContact CG-CE2 3.94Å | ||
| 158 | V | 98.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 141.7 | 171.8 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | H76 I101 L121 Q124 F147 A148 L149 | H76-V158 WeakPolarHBondContact CA-O 3.27Å; H76-V158 PolarHBondContact ND1-O 2.75Å; I101-V158 HydrophobicContact CD1-CG1 4.13Å; I101-V158 HydrophobicContact CD1-CG2 4.16Å; L121-V158 HydrophobicContact CD2-CG2 3.5Å; Q124-V158 HydrophobicContact CB-CB 3.9Å; Q124-V158 HydrophobicContact CB-CG2 3.85Å; Q124-V158 HydrophobicContact CG-CG2 4.45Å; F147-V158 HydrophobicContact CB-CG1 3.9Å; F147-V158 HydrophobicContact CD1-CG1 3.66Å; F147-V158 HydrophobicContact CG-CG1 4.16Å; A148-V158 CarbonylContact O-C 3.6Å; A148-V158 WeakPolarHBondContact O-CA 3.36Å; L149-V158 HydrophobicContact CD2-CG2 4.45Å |
| 159 | Y | 98.6 | Very high | 95.2 | Very high | 22 Ų | 22 | 45.6 Ų | 45.6 | 9% | 0.086 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 125.9 | 174.3 | -70.3 | -98.2 | 0 | 0 | 0 | 109.5 | H76 T78 V97 F147 A148 G150 R157 | H76-Y159 CarbonylContact O-C 3.6Å; H76-Y159 VanDerWaalsContact O-CA 3.24Å; H76-Y159 WeakPolarHBondContact O-CA 3.09Å; T78-Y159 HydrophobicContact CG2-CD1 4.41Å; V97-Y159 HydrophobicContact CG1-CD1 3.86Å; V97-Y159 HydrophobicContact CG1-CD2 3.91Å; V97-Y159 HydrophobicContact CG1-CE1 4.33Å; V97-Y159 HydrophobicContact CG1-CE2 4.38Å; V97-Y159 HydrophobicContact CG1-CG 3.63Å; F147-Y159 CarbonylContact C-O 3.57Å; F147-Y159 VanDerWaalsContact CA-O 3.3Å; F147-Y159 WeakPolarHBondContact CA-O 3.42Å; A148-Y159 PolarHBondContact N-O 3.17Å; A148-Y159 PolarHBondContact O-N 3.29Å; G150-Y159 VanDerWaalsContact CA-CE2 3.5Å; R157-Y159 HydrophobicContact CB-CE2 4.02Å; R157-Y159 HydrophobicContact CG-CD2 4.47Å; R157-Y159 HydrophobicContact CG-CE2 3.94Å |
| 160 | L | 98.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 129.6 | 167.8 | -178.1 | 61.8 | 0 | 0 | 0 | 108.7 | H76 F77 A128 L129 L132 F147 F163 | H76-L160 PolarHBondContact O-N 2.81Å; F77-L160 HydrophobicContact CE1-CB 4.23Å; F77-L160 HydrophobicContact CE1-CD2 4.05Å; A128-L160 HydrophobicContact CB-CB 4Å; A128-L160 HydrophobicContact CB-CD2 4.49Å; L129-L160 HydrophobicContact CD2-CD2 4.06Å; L132-L160 HydrophobicContact CB-CD2 4.41Å; L132-L160 HydrophobicContact CD2-CD2 3.95Å; F147-L160 HydrophobicContact CD1-CB 4.34Å; F147-L160 HydrophobicContact CD1-CD1 3.97Å; F147-L160 HydrophobicContact CE1-CB 4.19Å; F147-L160 HydrophobicContact CE1-CD1 3.53Å; F147-L160 HydrophobicContact CE1-CG 4.38Å; F147-L160 HydrophobicContact CZ-CD1 3.84Å; L160-F163 HydrophobicContact CD2-CE1 4.17Å; L160-F163 HydrophobicContact CG-CE1 4.01Å |
| 161 | I | 95.7 | Very high | 94.9 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 22% | 0.221 | 23% | 0.23 | C | C | . | . | trans | -133 | 166.2 | -176.2 | 60.4 | 165.5 | 0 | 0 | 0 | 110.7 | T78 V97 H139 N146 A148 | T78-I161 HydrophobicContact CG2-CG2 4.31Å; V97-I161 HydrophobicContact CG2-CG2 4.3Å; H139-I161 PolarHBondContact NE2-O 3.42Å; N146-I161 VanDerWaalsContact O-CG1 3.23Å; N146-I161 WeakPolarHBondContact O-CG1 3.42Å; N146-I161 PolarHBondContact O-N 3.02Å; A148-I161 HydrophobicContact CB-CD1 4.13Å; A148-I161 HydrophobicContact CB-CG2 4.47Å | ||
| 162 | D | 92.5 | Very high | 94.5 | Very high | 61 Ų | 61 | 53 Ų | 53 | 33% | 0.326 | 25% | 0.249 | S | C | . | . | trans | 66.3 | 78.2 | 175.5 | -159.3 | 9.6 | 0 | 0 | 0 | 115.1 | K49 H139 G164 | K49-D162 IonicContact NZ-OD1 2.7Å; K49-D162 PolarHBondContact NZ-OD1 3.31Å; H139-D162 PolarHBondContact NE2-O 2.97Å; D162-G164 PolarHBondContact O-N 3.26Å | ||
| 163 | F | 94 | Very high | 94.4 | Very high | 3 Ų | 3 | 53.2 Ų | 53.2 | 1% | 0.013 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -86.8 | 14.2 | 178.7 | -49.7 | -65.9 | 0 | 0 | 0 | 113.7 | E63 I66 M67 F70 F77 L132 L160 L165 S166 | E63-F163 HydrophobicContact CB-CB 4.26Å; E63-F163 HydrophobicContact CG-CB 3.93Å; I66-F163 HydrophobicContact CD1-CB 3.8Å; I66-F163 HydrophobicContact CD1-CG 4.38Å; I66-F163 HydrophobicContact CG2-CD1 4.28Å; I66-F163 HydrophobicContact CG2-CD2 4.34Å; I66-F163 HydrophobicContact CG2-CG 4.15Å; M67-F163 HydrophobicContact CG-CD2 4.24Å; M67-F163 HydrophobicContact CG-CE2 4.11Å; F70-F163 HydrophobicContact CE2-CE2 4.18Å; F70-F163 HydrophobicContact CE2-CZ 4.06Å; F70-F163 HydrophobicContact CZ-CZ 4.36Å; F77-F163 HydrophobicContact CD1-CE1 4.33Å; F77-F163 AromaticContact CD1-CZ 3.74Å; F77-F163 HydrophobicContact CD1-CZ 3.74Å; F77-F163 HydrophobicContact CE1-CE1 4.18Å; F77-F163 HydrophobicContact CE1-CZ 4.06Å; L132-F163 HydrophobicContact CD1-CD1 4.39Å; L132-F163 HydrophobicContact CD1-CE1 4.27Å; L160-F163 HydrophobicContact CD2-CE1 4.17Å; L160-F163 HydrophobicContact CG-CE1 4.01Å; F163-L165 PolarHBondContact O-N 3.48Å; F163-S166 WeakPolarHBondContact CA-OG 3.05Å; F163-S166 WeakPolarHBondContact CB-OG 3.35Å; F163-S166 VanDerWaalsContact O-CB 3.25Å; F163-S166 WeakPolarHBondContact O-CB 3.37Å; F163-S166 PolarHBondContact O-N 2.96Å; F163-S166 PolarHBondContact O-OG 3.45Å |
| 164 | G | 90.3 | Very high | 94.1 | Very high | 7 Ų | 7 | 55.4 Ų | 55.4 | 7% | 0.072 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -61.9 | -28.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.1 | V59 E63 D162 | V59-G164 WeakPolarHBondContact CB-O 3.19Å; V59-G164 VanDerWaalsContact CG1-O 3.23Å; V59-G164 WeakPolarHBondContact CG1-O 3.06Å; E63-G164 WeakPolarHBondContact OE1-CA 3.31Å; E63-G164 PolarHBondContact OE1-N 3.18Å; E63-G164 VanDerWaalsContact OE1-N 3.09Å; D162-G164 PolarHBondContact O-N 3.26Å |
| 165 | L | 92.3 | Very high | 94.1 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 13% | 0.131 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -97.1 | 1.4 | 174.5 | -64.9 | -179 | 0 | 0 | 0 | 113.3 | Y31 H139 R140 D141 F163 R186 | Y31-L165 HydrophobicContact CE2-CD2 3.94Å; Y31-L165 HydrophobicContact CE2-CG 4.43Å; H139-L165 CarbonylContact O-C 3.53Å; R140-L165 PolarHBondContact NE-O 2.92Å; R140-L165 PolarHBondContact NH2-O 3.34Å; D141-L165 HydrophobicContact CB-CB 4.28Å; D141-L165 HydrophobicContact CB-CD1 3.73Å; F163-L165 PolarHBondContact O-N 3.48Å; L165-R186 HydrophobicContact CD2-CB 4.28Å |
| 166 | S | 95 | Very high | 94.1 | Very high | 9 Ų | 9 | 56 Ų | 56 | 6% | 0.063 | 27% | 0.269 | C | S | . | . | trans | -66.1 | 157.8 | -176.5 | -64.9 | 0 | 0 | 0 | 0 | 113.1 | L138 H139 F163 | L138-S166 CarbonylContact O-C 3.56Å; L138-S166 WeakPolarHBondContact O-CA 3.43Å; L138-S166 WeakPolarHBondContact O-CB 3.36Å; L138-S166 PolarHBondContact O-OG 2.96Å; H139-S166 WeakPolarHBondContact O-CA 3.3Å; H139-S166 PolarHBondContact O-N 3.41Å; F163-S166 WeakPolarHBondContact CA-OG 3.05Å; F163-S166 WeakPolarHBondContact CB-OG 3.35Å; F163-S166 VanDerWaalsContact O-CB 3.25Å; F163-S166 WeakPolarHBondContact O-CB 3.37Å; F163-S166 PolarHBondContact O-N 2.96Å; F163-S166 PolarHBondContact O-OG 3.45Å | ||
| 167 | R | 94.2 | Very high | 94.1 | Very high | 59 Ų | 59 | 56.9 Ų | 56.9 | 22% | 0.223 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 134 | -180 | 179.2 | 174.3 | -178.8 | 81.2 | -1.1 | 111.3 | Y137 L138 R140 F169 R180 E201 | Y137-R167 CarbonylContact C-O 3.58Å; Y137-R167 WeakPolarHBondContact CA-O 3.34Å; L138-R167 PolarHBondContact N-O 3.24Å; L138-R167 PolarHBondContact O-N 3.41Å; R140-R167 VanDerWaalsContact NE-CB 3.32Å; R167-F169 PolarHBondContact O-N 3.39Å; R167-R180 VanDerWaalsContact NH2-NE 3.17Å; R167-E201 IonicContact NE-OE1 2.72Å |
| 168 | Q | 95.3 | Very high | 93.9 | Very high | 52 Ų | 52 | 57.8 Ų | 57.8 | 24% | 0.243 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 117.1 | 172.7 | -168.4 | -176 | 15.3 | 0 | 0 | 110.2 | G136 Y137 L170 R177 | G136-Q168 CarbonylContact O-C 3.6Å; G136-Q168 WeakPolarHBondContact O-CA 3.43Å; Y137-Q168 HydrophobicContact CD1-CB 3.88Å; Y137-Q168 HydrophobicContact CE1-CB 3.56Å; Y137-Q168 HydrophobicContact CE1-CG 4.13Å; Y137-Q168 HydrophobicContact CE2-CG 4.46Å; Q168-L170 VanDerWaalsContact CD-O 3.3Å; Q168-L170 WeakPolarHBondContact CG-O 3.48Å; Q168-L170 PolarHBondContact NE2-O 3.4Å; Q168-R177 PolarHBondContact O-NE 3.24Å |
| 169 | F | 96.3 | Very high | 93.6 | Very high | 15 Ų | 15 | 61.1 Ų | 61.1 | 7% | 0.066 | 31% | 0.31 | C | S | . | . | trans | -105.7 | -22.8 | 175.8 | 81 | -75.7 | 0 | 0 | 0 | 112.6 | H133 G136 L138 R167 L176 R177 P204 | H133-F169 HydrophobicContact CB-CE1 4.31Å; H133-F169 HydrophobicContact CB-CZ 4.28Å; H133-F169 WeakPolarHBondContact O-CE1 3.23Å; G136-F169 VanDerWaalsContact C-CD1 3.45Å; G136-F169 VanDerWaalsContact C-CE1 3.46Å; G136-F169 VanDerWaalsContact O-CD1 3.26Å; G136-F169 WeakPolarHBondContact O-CD1 3.41Å; G136-F169 PolarHBondContact O-N 3.19Å; L138-F169 HydrophobicContact CD1-CB 4.03Å; L138-F169 HydrophobicContact CD1-CG 4.4Å; L138-F169 HydrophobicContact CD2-CD1 3.69Å; L138-F169 HydrophobicContact CD2-CE1 4.01Å; L138-F169 HydrophobicContact CD2-CG 4.01Å; L138-F169 HydrophobicContact CG-CB 3.98Å; L138-F169 HydrophobicContact CG-CD1 3.7Å; L138-F169 HydrophobicContact CG-CE1 4.46Å; L138-F169 HydrophobicContact CG-CG 3.96Å; R167-F169 PolarHBondContact O-N 3.39Å; F169-L176 HydrophobicContact CD2-CD2 3.66Å; F169-L176 HydrophobicContact CE2-CD2 4Å; F169-R177 WeakPolarHBondContact O-CB 3.48Å; F169-R177 PolarHBondContact O-N 3.2Å; F169-P204 HydrophobicContact CD2-CG 4.29Å; F169-P204 HydrophobicContact CE1-CG 4.42Å; F169-P204 HydrophobicContact CE2-CG 3.69Å; F169-P204 HydrophobicContact CZ-CG 3.77Å | ||
| 170 | L | 95.9 | Very high | 93.1 | Very high | 29 Ų | 29 | 63.7 Ų | 63.7 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | B | Isolated β-bridge | trans | -99.4 | 118.5 | 168.5 | -57.2 | -179.5 | 0 | 0 | 0 | 110.2 | G136 Q168 K175 L176 | G136-L170 PolarHBondContact O-N 2.94Å; Q168-L170 VanDerWaalsContact CD-O 3.3Å; Q168-L170 WeakPolarHBondContact CG-O 3.48Å; Q168-L170 PolarHBondContact NE2-O 3.4Å; L170-K175 CarbonylContact C-O 3.57Å; L170-K175 WeakPolarHBondContact CA-O 3.37Å; L170-L176 HydrophobicContact CD2-CD2 3.83Å; L170-L176 HydrophobicContact CD2-CG 4.41Å |
| 171 | I | 92 | Very high | 92.3 | Very high | 53 Ų | 53 | 68.9 Ų | 68.9 | 27% | 0.272 | 36% | 0.362 | S | S | . | . | trans | -91.7 | -164.3 | 174.5 | 57.9 | 166.8 | 0 | 0 | 0 | 110.2 | N173 N174 K175 R177 | I171-N173 PolarHBondContact O-N 2.97Å; I171-N174 PolarHBondContact O-N 3.09Å; I171-K175 HydrophobicContact CD1-CB 4.48Å; I171-K175 HydrophobicContact CG1-CB 4.04Å; I171-K175 WeakPolarHBondContact CG1-O 3.11Å; I171-K175 PolarHBondContact N-O 3.44Å; I171-R177 HydrophobicContact CG2-CB 3.99Å; I171-R177 HydrophobicContact CG2-CG 4.29Å | ||
| 172 | E | 88.2 | Confident | 91.3 | Very high | 170 Ų | 170 | 75 Ų | 75 | 79% | 0.794 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -50.1 | 140.2 | 178.6 | -67.9 | 177.5 | -178.2 | 0 | 0 | 112 | N174 K175 | E172-N174 VanDerWaalsContact C-N 3.28Å; E172-N174 PolarHBondContact O-N 3.28Å; E172-K175 PolarHBondContact O-N 3.27Å |
| 173 | N | 88.6 | Confident | 90.4 | Very high | 163 Ų | 163 | 72.8 Ų | 72.8 | 87% | 0.872 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | 59.3 | 31.6 | -176.8 | -54.4 | -35 | 0 | 0 | 0 | 114.6 | I171 K175 | I171-N173 PolarHBondContact O-N 2.97Å; N173-K175 PolarHBondContact O-N 3.48Å |
| 174 | N | 88.6 | Confident | 89.6 | Confident | 127 Ų | 127 | 76.6 Ų | 76.6 | 68% | 0.679 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | 56 | 23.7 | -179.9 | -65 | -29.5 | 0 | 0 | 0 | 113.9 | I171 E172 | I171-N174 PolarHBondContact O-N 3.09Å; E172-N174 VanDerWaalsContact C-N 3.28Å; E172-N174 PolarHBondContact O-N 3.28Å |
| 175 | K | 93.4 | Very high | 89.1 | Confident | 141 Ų | 141 | 78.9 Ų | 78.9 | 61% | 0.613 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 140.8 | 175 | -173.4 | 178 | 177.2 | 178.8 | 0 | 109.7 | L170 I171 E172 N173 R177 | L170-K175 CarbonylContact C-O 3.57Å; L170-K175 WeakPolarHBondContact CA-O 3.37Å; I171-K175 HydrophobicContact CD1-CB 4.48Å; I171-K175 HydrophobicContact CG1-CB 4.04Å; I171-K175 WeakPolarHBondContact CG1-O 3.11Å; I171-K175 PolarHBondContact N-O 3.44Å; E172-K175 PolarHBondContact O-N 3.27Å; N173-K175 PolarHBondContact O-N 3.48Å; K175-R177 PolarHBondContact O-N 3.35Å |
| 176 | L | 95.1 | Very high | 88.6 | Confident | 56 Ų | 56 | 82.8 Ų | 82.8 | 29% | 0.293 | 43% | 0.426 | S | S | . | . | B | Isolated β-bridge | trans | -62.5 | 132 | 170.7 | -72.4 | 169.9 | 0 | 0 | 0 | 110.4 | F169 L170 Y266 N267 | F169-L176 HydrophobicContact CD2-CD2 3.66Å; F169-L176 HydrophobicContact CE2-CD2 4Å; L170-L176 HydrophobicContact CD2-CD2 3.83Å; L170-L176 HydrophobicContact CD2-CG 4.41Å; L176-Y266 HydrophobicContact CB-CE1 4.46Å; L176-N267 HydrophobicContact CD1-CB 4.49Å |
| 177 | R | 95.3 | Very high | 88.3 | Confident | 84 Ų | 84 | 83.5 Ų | 83.5 | 32% | 0.317 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 136.2 | 169.1 | -175.5 | 178 | -75.4 | -88.5 | 0.1 | 108.3 | Q168 F169 I171 K175 Y266 | Q168-R177 PolarHBondContact O-NE 3.24Å; F169-R177 WeakPolarHBondContact O-CB 3.48Å; F169-R177 PolarHBondContact O-N 3.2Å; I171-R177 HydrophobicContact CG2-CB 3.99Å; I171-R177 HydrophobicContact CG2-CG 4.29Å; K175-R177 PolarHBondContact O-N 3.35Å; R177-Y266 WeakPolarHBondContact O-CE1 3.35Å; R177-Y266 PolarHBondContact O-OH 3.38Å |
| 178 | P | 93.6 | Very high | 88.3 | Confident | 94 Ų | 94 | 82.5 Ų | 82.5 | 61% | 0.61 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -57.3 | 134.8 | 174.5 | -25.9 | 35 | 0 | 0 | 0 | 111.5 | ||
| 179 | P | 91.9 | Very high | 88.3 | Confident | 70 Ų | 70 | 81.2 Ų | 81.2 | 46% | 0.455 | 43% | 0.431 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 143.1 | 178.3 | 28.5 | -34.3 | 0 | 0 | 0 | 110.4 | E201 Y266 | P179-E201 HydrophobicContact CB-CB 3.73Å; P179-E201 HydrophobicContact CB-CG 3.93Å; P179-Y266 HydrophobicContact CB-CD1 4Å; P179-Y266 HydrophobicContact CB-CE1 4.2Å; P179-Y266 HydrophobicContact CB-CG 4.39Å; P179-Y266 HydrophobicContact CG-CD1 4.21Å; P179-Y266 HydrophobicContact CG-CE1 4.49Å |
| 180 | R | 87.9 | Confident | 88.4 | Confident | 77 Ų | 77 | 81.6 Ų | 81.6 | 29% | 0.291 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 143.5 | 171.7 | -66.4 | 169.5 | -71.1 | 169.3 | 4.7 | 109.7 | R167 Q182 E201 | R167-R180 VanDerWaalsContact NH2-NE 3.17Å; R180-Q182 PolarHBondContact O-N 3.09Å; R180-E201 WeakPolarHBondContact CB-OE2 3.39Å; R180-E201 WeakPolarHBondContact CG-OE2 3.47Å; R180-E201 IonicContact CZ-OE1 3.48Å; R180-E201 IonicContact CZ-OE2 3.65Å; R180-E201 PolarHBondContact N-OE2 3.22Å; R180-E201 IonicContact NE-OE1 3.93Å; R180-E201 PolarHBondContact NE-OE1 3.43Å; R180-E201 IonicContact NE-OE2 2.83Å; R180-E201 PolarHBondContact NE-OE2 2.94Å; R180-E201 IonicContact NH2-OE1 3.61Å; R180-E201 PolarHBondContact NH2-OE1 3.05Å; R180-E201 IonicContact NH2-OE2 3.98Å |
| 181 | A | 81.8 | Confident | 88.5 | Confident | 109 Ų | 109 | 81.6 Ų | 81.6 | 90% | 0.901 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -61.9 | -35 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 182 | Q | 75.7 | Confident | 88.7 | Confident | 171 Ų | 171 | 79.4 Ų | 79.4 | 80% | 0.799 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -135.2 | 124 | 169.5 | -70.2 | -174.9 | -11.7 | 0 | 0 | 109.2 | R180 | R180-Q182 PolarHBondContact O-N 3.09Š|
| 183 | A | 74 | Confident | 89 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 12% | 0.124 | 39% | 0.387 | C | S | . | . | trans | -108.2 | 111.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | F185 | A183-F185 PolarHBondContact O-N 2.85Š| ||
| 184 | P | 75.9 | Confident | 89.3 | Confident | 82 Ų | 82 | 65.6 Ų | 65.6 | 53% | 0.532 | 35% | 0.353 | S | S | . | . | trans | -57.9 | 132.2 | 173.4 | 21.3 | -30.3 | 0 | 0 | 0 | 109.1 | R186 | P184-R186 PolarHBondContact O-N 2.63Š| ||
| 185 | F | 80.8 | Confident | 89.6 | Confident | 56 Ų | 56 | 62.4 Ų | 62.4 | 25% | 0.246 | 33% | 0.332 | C | S | . | . | trans | -58.3 | 133.4 | -177.8 | 175.3 | -104.1 | 0 | 0 | 0 | 110.3 | A183 G187 T189 C192 T196 | A183-F185 PolarHBondContact O-N 2.85Å; F185-G187 WeakPolarHBondContact CE1-O 3.08Å; F185-G187 VanDerWaalsContact CZ-C 3.47Å; F185-G187 WeakPolarHBondContact CZ-O 3.25Å; F185-T189 HydrophobicContact CD1-CG2 4.13Å; F185-T189 HydrophobicContact CE1-CG2 3.43Å; F185-T189 VanDerWaalsContact CE1-CG2 3.43Å; F185-T189 HydrophobicContact CZ-CG2 3.88Å; F185-C192 HydrophobicContact CE2-CB 3.71Å; F185-C192 HydrophobicContact CZ-CB 4.1Å; F185-T196 HydrophobicContact CD2-CG2 3.74Å; F185-T196 HydrophobicContact CE2-CG2 3.64Å | ||
| 186 | R | 81 | Confident | 89.6 | Confident | 107 Ų | 107 | 55.9 Ų | 55.9 | 40% | 0.404 | 30% | 0.304 | S | S | . | . | trans | -137 | 129.1 | 173.4 | -69.6 | -67.5 | -169 | -120.9 | 8.8 | 106.4 | L165 P184 Q202 | L165-R186 HydrophobicContact CD2-CB 4.28Å; P184-R186 PolarHBondContact O-N 2.63Å; R186-Q202 PolarHBondContact O-NE2 2.93Å; R186-Q202 VanDerWaalsContact O-NE2 3.15Å | ||
| 187 | G | 89.2 | Confident | 89.4 | Confident | 23 Ų | 23 | 54.6 Ų | 54.6 | 24% | 0.237 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 132 | -171.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R140 F185 | R140-G187 WeakPolarHBondContact O-CA 3.43Å; F185-G187 WeakPolarHBondContact CE1-O 3.08Å; F185-G187 VanDerWaalsContact CZ-C 3.47Å; F185-G187 WeakPolarHBondContact CZ-O 3.25Å |
| 188 | T | 93.9 | Very high | 89.2 | Confident | 39 Ų | 39 | 55.6 Ų | 55.6 | 24% | 0.239 | 31% | 0.305 | C | S | . | . | trans | -100.5 | 115.7 | 178.4 | -55 | 0 | 0 | 0 | 0 | 110 | D141 K143 V190 Y191 C192 | D141-T188 WeakPolarHBondContact OD1-CB 3.47Å; D141-T188 PolarHBondContact OD1-N 2.94Å; D141-T188 PolarHBondContact OD1-OG1 3.11Å; K143-T188 HydrophobicContact CD-CG2 4.45Å; K143-T188 WeakPolarHBondContact CD-OG1 3.26Å; K143-T188 PolarHBondContact NZ-OG1 3.27Å; T188-V190 HydrophobicContact CG2-CB 4.36Å; T188-V190 PolarHBondContact O-N 3.41Å; T188-V190 VanDerWaalsContact O-N 3.13Å; T188-Y191 HydrophobicContact CG2-CD2 3.57Å; T188-Y191 HydrophobicContact CG2-CE2 3.69Å; T188-Y191 PolarHBondContact O-N 2.7Å; T188-C192 PolarHBondContact O-N 2.73Å | ||
| 189 | T | 95.3 | Very high | 89.1 | Confident | 25 Ų | 25 | 52.6 Ų | 52.6 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -36.3 | -174.3 | 47.6 | 0 | 0 | 0 | 0 | 113.2 | F185 Y191 C192 E231 K238 | F185-T189 HydrophobicContact CD1-CG2 4.13Å; F185-T189 HydrophobicContact CE1-CG2 3.43Å; F185-T189 VanDerWaalsContact CE1-CG2 3.43Å; F185-T189 HydrophobicContact CZ-CG2 3.88Å; T189-Y191 VanDerWaalsContact C-N 3.25Å; T189-Y191 PolarHBondContact O-N 3.09Å; T189-C192 PolarHBondContact O-N 3.27Å; T189-C192 PolarHBondContact O-SG 3.32Å; T189-E231 HydrophobicContact CG2-CG 4.13Å; T189-E231 WeakPolarHBondContact CG2-OE1 3.23Å; T189-K238 PolarHBondContact O-NZ 3.04Å |
| 190 | V | 97.5 | Very high | 89.1 | Confident | 23 Ų | 23 | 53.7 Ų | 53.7 | 14% | 0.139 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -37.3 | 178.5 | 174.5 | 0 | 0 | 0 | 0 | 113.1 | T188 L223 W225 M234 | T188-V190 HydrophobicContact CG2-CB 4.36Å; T188-V190 PolarHBondContact O-N 3.41Å; T188-V190 VanDerWaalsContact O-N 3.13Å; V190-L223 HydrophobicContact CG1-CD1 3.6Å; V190-W225 PolarHBondContact O-NE1 2.68Å; V190-M234 HydrophobicContact CG2-CE 3.99Å; V190-M234 HydrophobicContact CG2-SD 4.37Å |
| 191 | Y | 98 | Very high | 89.4 | Confident | 28 Ų | 28 | 50.7 Ų | 50.7 | 11% | 0.11 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -14.4 | -173 | -50.5 | -76.8 | 0 | 0 | 0 | 114 | K143 T188 T189 S210 Y213 E217 L223 | K143-Y191 HydrophobicContact CB-CD1 4.48Å; K143-Y191 HydrophobicContact CB-CD2 3.52Å; K143-Y191 HydrophobicContact CB-CE2 3.58Å; K143-Y191 HydrophobicContact CB-CG 4.01Å; K143-Y191 HydrophobicContact CD-CD2 4.19Å; K143-Y191 HydrophobicContact CD-CE2 4.07Å; K143-Y191 HydrophobicContact CG-CD2 4.5Å; K143-Y191 HydrophobicContact CG-CE2 4.4Å; T188-Y191 HydrophobicContact CG2-CD2 3.57Å; T188-Y191 HydrophobicContact CG2-CE2 3.69Å; T188-Y191 PolarHBondContact O-N 2.7Å; T189-Y191 VanDerWaalsContact C-N 3.25Å; T189-Y191 PolarHBondContact O-N 3.09Å; Y191-S210 VanDerWaalsContact O-CA 3.24Å; Y191-S210 WeakPolarHBondContact O-CA 3.37Å; Y191-S210 WeakPolarHBondContact O-CB 3.47Å; Y191-S210 PolarHBondContact O-OG 3.15Å; Y191-S210 VanDerWaalsContact O-OG 3.09Å; Y191-Y213 VanDerWaalsContact O-CD2 3.31Å; Y191-Y213 WeakPolarHBondContact O-CD2 3.39Å; Y191-E217 HydrophobicContact CE1-CB 4.37Å; Y191-E217 VanDerWaalsContact OH-CD 3.24Å; Y191-E217 PolarHBondContact OH-OE1 3.42Å; Y191-E217 PolarHBondContact OH-OE2 3.49Å; Y191-E217 VanDerWaalsContact OH-OE2 3.09Å; Y191-L223 HydrophobicContact CD1-CD1 3.87Å; Y191-L223 HydrophobicContact CE1-CD1 4Å |
| 192 | C | 96.3 | Very high | 90 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -69.6 | 152.6 | -177.8 | 72 | 0 | 0 | 0 | 0 | 112.2 | F185 T188 T189 T196 K238 | F185-C192 HydrophobicContact CE2-CB 3.71Å; F185-C192 HydrophobicContact CZ-CB 4.1Å; T188-C192 PolarHBondContact O-N 2.73Å; T189-C192 PolarHBondContact O-N 3.27Å; T189-C192 PolarHBondContact O-SG 3.32Å; C192-T196 HydrophobicContact CB-CG2 3.78Å; C192-K238 PolarHBondContact O-NZ 3Å; C192-K238 PolarHBondContact SG-NZ 3.43Å; C192-K238 VanDerWaalsContact SG-NZ 3.42Å |
| 193 | T | 96 | Very high | 91 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 7% | 0.067 | 20% | 0.202 | C | C | . | . | trans | -67.8 | 160.3 | 175 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | R195 T196 Q197 D206 | T193-R195 VanDerWaalsContact C-N 3.31Å; T193-R195 PolarHBondContact O-N 3.18Å; T193-T196 WeakPolarHBondContact O-CB 3.23Å; T193-T196 PolarHBondContact O-N 3.39Å; T193-T196 VanDerWaalsContact O-N 3.14Å; T193-T196 WeakPolarHBondContact OG1-CB 3.47Å; T193-T196 PolarHBondContact OG1-N 3.36Å; T193-T196 PolarHBondContact OG1-OG1 3.38Å; T193-Q197 PolarHBondContact O-N 2.83Å; T193-Q197 VanDerWaalsContact O-N 3.14Å; T193-D206 HydrophobicContact CG2-CB 4.33Å; T193-D206 PolarHBondContact OG1-OD1 2.87Å | ||
| 194 | I | 95.3 | Very high | 92.1 | Very high | 32 Ų | 32 | 37.8 Ų | 37.8 | 16% | 0.164 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54.3 | -48.9 | 176.7 | -68.8 | 167.1 | 0 | 0 | 0 | 110.4 | T196 Q197 E198 L235 K238 V239 | I194-T196 PolarHBondContact O-N 3.42Å; I194-Q197 PolarHBondContact O-N 2.92Å; I194-Q197 VanDerWaalsContact O-N 3.1Å; I194-E198 HydrophobicContact CG2-CG 4.34Å; I194-E198 WeakPolarHBondContact CG2-OE1 3.43Å; I194-E198 WeakPolarHBondContact O-CG 3.49Å; I194-E198 PolarHBondContact O-N 3.5Å; I194-L235 HydrophobicContact CB-CD1 4.45Å; I194-L235 HydrophobicContact CG2-CD1 3.97Å; I194-K238 HydrophobicContact CD1-CB 4.27Å; I194-K238 HydrophobicContact CG1-CB 3.89Å; I194-K238 HydrophobicContact CG1-CD 4.5Å; I194-V239 HydrophobicContact CD1-CG2 4.02Å; I194-V239 HydrophobicContact CG1-CG2 4.35Å; I194-V239 HydrophobicContact CG2-CG2 4.01Å |
| 195 | R | 93 | Very high | 93.2 | Very high | 61 Ų | 61 | 34 Ų | 34 | 23% | 0.23 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.2 | -36.9 | -179.8 | 88.2 | -175.3 | -41.3 | 157.9 | 13 | 113.1 | T193 Q197 E198 G199 H200 D206 Y264 | T193-R195 VanDerWaalsContact C-N 3.31Å; T193-R195 PolarHBondContact O-N 3.18Å; R195-Q197 VanDerWaalsContact C-N 3.32Å; R195-E198 CarbonylContact O-C 3.48Å; R195-E198 PolarHBondContact O-N 3.2Å; R195-G199 PolarHBondContact O-N 3.16Å; R195-H200 HydrophobicContact CB-CB 4.21Å; R195-H200 HydrophobicContact CG-CB 4.24Å; R195-H200 WeakPolarHBondContact O-CB 3.37Å; R195-H200 PolarHBondContact O-N 3.01Å; R195-H200 PolarHBondContact O-ND1 2.8Å; R195-D206 WeakPolarHBondContact CD-OD1 3.4Å; R195-D206 WeakPolarHBondContact CG-OD1 3.4Å; R195-Y264 PolarHBondContact NH1-O 3.48Å |
| 196 | T | 93.4 | Very high | 94 | Very high | 4 Ų | 4 | 31.6 Ų | 31.6 | 3% | 0.025 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.1 | -41.5 | -178.6 | -67.9 | 0 | 0 | 0 | 0 | 109.8 | F185 C192 T193 I194 E198 G199 Q202 D206 | F185-T196 HydrophobicContact CD2-CG2 3.74Å; F185-T196 HydrophobicContact CE2-CG2 3.64Å; C192-T196 HydrophobicContact CB-CG2 3.78Å; T193-T196 WeakPolarHBondContact O-CB 3.23Å; T193-T196 PolarHBondContact O-N 3.39Å; T193-T196 VanDerWaalsContact O-N 3.14Å; T193-T196 WeakPolarHBondContact OG1-CB 3.47Å; T193-T196 PolarHBondContact OG1-N 3.36Å; T193-T196 PolarHBondContact OG1-OG1 3.38Å; I194-T196 PolarHBondContact O-N 3.42Å; T196-E198 VanDerWaalsContact C-N 3.33Å; T196-G199 PolarHBondContact O-N 3.29Å; T196-Q202 HydrophobicContact CG2-CG 3.74Å; T196-D206 PolarHBondContact OG1-OD1 3.37Å |
| 197 | Q | 92.6 | Very high | 94.8 | Very high | 29 Ų | 29 | 26.6 Ų | 26.6 | 14% | 0.136 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.4 | -31.4 | 176.8 | -165.8 | 166.9 | -2.9 | 0 | 0 | 112 | T193 I194 R195 G199 E231 L235 | T193-Q197 PolarHBondContact O-N 2.83Å; T193-Q197 VanDerWaalsContact O-N 3.14Å; I194-Q197 PolarHBondContact O-N 2.92Å; I194-Q197 VanDerWaalsContact O-N 3.1Å; R195-Q197 VanDerWaalsContact C-N 3.32Å; Q197-G199 PolarHBondContact O-N 3Å; Q197-E231 PolarHBondContact NE2-O 3.19Å; Q197-L235 HydrophobicContact CB-CD1 4.09Å; Q197-L235 HydrophobicContact CG-CB 4.35Å; Q197-L235 HydrophobicContact CG-CD1 4.17Å; Q197-L235 HydrophobicContact CG-CD2 4.43Å |
| 198 | E | 91.3 | Very high | 95.3 | Very high | 104 Ų | 104 | 25.7 Ų | 25.7 | 49% | 0.486 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 2 | 170.8 | -67.9 | 170.2 | 161.3 | 0 | 0 | 113.8 | I194 R195 T196 H200 L235 | I194-E198 HydrophobicContact CG2-CG 4.34Å; I194-E198 WeakPolarHBondContact CG2-OE1 3.43Å; I194-E198 WeakPolarHBondContact O-CG 3.49Å; I194-E198 PolarHBondContact O-N 3.5Å; R195-E198 CarbonylContact O-C 3.48Å; R195-E198 PolarHBondContact O-N 3.2Å; T196-E198 VanDerWaalsContact C-N 3.33Å; E198-H200 IonicContact OE2-CE1 3.49Å; E198-H200 PolarHBondContact OE2-CE1 3.43Å; E198-H200 IonicContact OE2-ND1 3.81Å; E198-L235 HydrophobicContact CG-CD1 4.45Å; E198-L235 HydrophobicContact CG-CD2 4.15Å |
| 199 | G | 90.1 | Very high | 95.5 | Very high | 31 Ų | 31 | 23.9 Ų | 23.9 | 32% | 0.32 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 12 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | R195 T196 Q197 | R195-G199 PolarHBondContact O-N 3.16Å; T196-G199 PolarHBondContact O-N 3.29Å; Q197-G199 PolarHBondContact O-N 3Å |
| 200 | H | 91.9 | Very high | 95.7 | Very high | 93 Ų | 93 | 23.1 Ų | 23.1 | 43% | 0.431 | 12% | 0.119 | S | C | . | . | P | Polyproline II helix | trans | -67.2 | 149.2 | 172.6 | -61.9 | 85.4 | 0 | 0 | 0 | 111.1 | R195 E198 Q202 | R195-H200 HydrophobicContact CB-CB 4.21Å; R195-H200 HydrophobicContact CG-CB 4.24Å; R195-H200 WeakPolarHBondContact O-CB 3.37Å; R195-H200 PolarHBondContact O-N 3.01Å; R195-H200 PolarHBondContact O-ND1 2.8Å; E198-H200 IonicContact OE2-CE1 3.49Å; E198-H200 PolarHBondContact OE2-CE1 3.43Å; E198-H200 IonicContact OE2-ND1 3.81Å; H200-Q202 PolarHBondContact O-N 2.86Å |
| 201 | E | 93.5 | Very high | 95.7 | Very high | 14 Ų | 14 | 22.1 Ų | 22.1 | 7% | 0.065 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 124.4 | 172.8 | -170.4 | 73.6 | -93.2 | 0 | 0 | 109.8 | R167 P179 R180 Y266 | R167-E201 IonicContact NE-OE1 2.72Å; P179-E201 HydrophobicContact CB-CB 3.73Å; P179-E201 HydrophobicContact CB-CG 3.93Å; R180-E201 WeakPolarHBondContact CB-OE2 3.39Å; R180-E201 WeakPolarHBondContact CG-OE2 3.47Å; R180-E201 IonicContact CZ-OE1 3.48Å; R180-E201 IonicContact CZ-OE2 3.65Å; R180-E201 PolarHBondContact N-OE2 3.22Å; R180-E201 IonicContact NE-OE1 3.93Å; R180-E201 PolarHBondContact NE-OE1 3.43Å; R180-E201 IonicContact NE-OE2 2.83Å; R180-E201 PolarHBondContact NE-OE2 2.94Å; R180-E201 IonicContact NH2-OE1 3.61Å; R180-E201 PolarHBondContact NH2-OE1 3.05Å; R180-E201 IonicContact NH2-OE2 3.98Å; E201-Y266 HydrophobicContact CB-CD2 4.18Å; E201-Y266 HydrophobicContact CG-CD2 3.82Å; E201-Y266 HydrophobicContact CG-CE2 3.68Å |
| 202 | Q | 95.5 | Very high | 95.8 | Very high | 16 Ų | 16 | 21 Ų | 21 | 8% | 0.075 | 11% | 0.109 | C | C | . | . | P | Polyproline II helix | trans | -68.9 | 138.5 | -178 | -64.2 | 177.5 | 5 | 0 | 0 | 110.1 | L138 R186 T196 H200 D206 Y266 | L138-Q202 HydrophobicContact CD1-CB 4.38Å; L138-Q202 WeakPolarHBondContact CD1-O 3.49Å; R186-Q202 PolarHBondContact O-NE2 2.93Å; R186-Q202 VanDerWaalsContact O-NE2 3.15Å; T196-Q202 HydrophobicContact CG2-CG 3.74Å; H200-Q202 PolarHBondContact O-N 2.86Å; Q202-D206 WeakPolarHBondContact CA-OD2 3.48Å; Q202-D206 HydrophobicContact CB-CB 4.42Å; Q202-Y266 WeakPolarHBondContact O-CD2 3.19Å; Q202-Y266 VanDerWaalsContact O-CE2 3.3Å; Q202-Y266 WeakPolarHBondContact O-CE2 3.42Å |
| 203 | G | 96.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | trans | -125.8 | -178.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q205 D206 | G203-Q205 VanDerWaalsContact C-OE1 3.29Å; G203-Q205 PolarHBondContact O-N 2.81Å; G203-Q205 VanDerWaalsContact O-N 3.12Å; G203-D206 PolarHBondContact N-OD2 2.68Å; G203-D206 WeakPolarHBondContact O-CB 3.4Å; G203-D206 PolarHBondContact O-N 3Å | ||
| 204 | P | 98.1 | Very high | 96 | Very high | 7 Ų | 7 | 20.2 Ų | 20.2 | 5% | 0.045 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.2 | -31 | -178.8 | -28 | 37.5 | 0 | 0 | 0 | 113.9 | L138 F169 D206 D207 L208 I270 Y272 | L138-P204 HydrophobicContact CD2-CB 4.24Å; L138-P204 HydrophobicContact CD2-CG 3.73Å; F169-P204 HydrophobicContact CD2-CG 4.29Å; F169-P204 HydrophobicContact CE1-CG 4.42Å; F169-P204 HydrophobicContact CE2-CG 3.69Å; F169-P204 HydrophobicContact CZ-CG 3.77Å; P204-D206 PolarHBondContact O-N 3.43Å; P204-D207 PolarHBondContact O-N 3.18Å; P204-L208 WeakPolarHBondContact O-CG 3.21Å; P204-L208 PolarHBondContact O-N 3.28Å; P204-I270 HydrophobicContact CB-CG1 3.75Å; P204-I270 HydrophobicContact CG-CG1 4.48Å; P204-Y272 WeakPolarHBondContact CB-OH 3.38Å |
| 205 | Q | 97.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.019 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.3 | -27.5 | 175.2 | 71.2 | -73.2 | -9.1 | 0 | 0 | 113.5 | G203 G209 L261 Y264 D265 I270 | G203-Q205 VanDerWaalsContact C-OE1 3.29Å; G203-Q205 PolarHBondContact O-N 2.81Å; G203-Q205 VanDerWaalsContact O-N 3.12Å; Q205-G209 PolarHBondContact O-N 3.07Å; Q205-L261 HydrophobicContact CB-CD2 4.05Å; Q205-Y264 HydrophobicContact CB-CD2 4.32Å; Q205-D265 PolarHBondContact OE1-O 2.72Å; Q205-I270 HydrophobicContact CB-CD1 3.96Å |
| 206 | D | 97.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 15.9 Ų | 15.9 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -79 | -36.8 | -177.7 | -62.6 | -59.8 | 0 | 0 | 0 | 111.8 | T193 R195 T196 Q202 G203 P204 L208 G209 S210 | T193-D206 HydrophobicContact CG2-CB 4.33Å; T193-D206 PolarHBondContact OG1-OD1 2.87Å; R195-D206 WeakPolarHBondContact CD-OD1 3.4Å; R195-D206 WeakPolarHBondContact CG-OD1 3.4Å; T196-D206 PolarHBondContact OG1-OD1 3.37Å; Q202-D206 WeakPolarHBondContact CA-OD2 3.48Å; Q202-D206 HydrophobicContact CB-CB 4.42Å; G203-D206 PolarHBondContact N-OD2 2.68Å; G203-D206 WeakPolarHBondContact O-CB 3.4Å; G203-D206 PolarHBondContact O-N 3Å; P204-D206 PolarHBondContact O-N 3.43Å; D206-L208 VanDerWaalsContact C-N 3.35Å; D206-G209 PolarHBondContact O-N 3.37Å; D206-S210 WeakPolarHBondContact O-CB 3.27Å; D206-S210 PolarHBondContact O-N 2.9Å; D206-S210 PolarHBondContact O-OG 3.21Å |
| 207 | D | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.011 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -63.7 | -42 | 170 | -79.6 | -23.2 | 0 | 0 | 0 | 110.8 | L129 H133 L138 H139 R140 V142 P204 S210 L211 | L129-D207 HydrophobicContact CD1-CB 4.39Å; L129-D207 HydrophobicContact CD2-CB 4.27Å; H133-D207 IonicContact NE2-OD2 3.97Å; H133-D207 PolarHBondContact NE2-OD2 3.4Å; H133-D207 VanDerWaalsContact NE2-OD2 3.09Å; L138-D207 WeakPolarHBondContact CA-OD2 3.23Å; H139-D207 PolarHBondContact N-OD2 2.89Å; R140-D207 WeakPolarHBondContact CA-OD1 3.36Å; R140-D207 PolarHBondContact N-OD1 2.82Å; V142-D207 HydrophobicContact CG2-CB 3.84Å; V142-D207 WeakPolarHBondContact CG2-OD1 3.45Å; P204-D207 PolarHBondContact O-N 3.18Å; D207-S210 PolarHBondContact O-N 3.43Å; D207-L211 PolarHBondContact O-N 3.17Å |
| 208 | L | 98.8 | Very high | 97 | Very high | 4 Ų | 4 | 15.3 Ų | 15.3 | 2% | 0.021 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67.5 | -39.1 | 175.7 | -63.7 | -173.2 | 0 | 0 | 0 | 112.7 | L126 L129 P204 D206 S210 L211 L212 L261 I270 Y272 F275 | L126-L208 HydrophobicContact CD1-CD2 3.56Å; L129-L208 HydrophobicContact CB-CD2 4.29Å; L129-L208 HydrophobicContact CD1-CD2 4.05Å; P204-L208 WeakPolarHBondContact O-CG 3.21Å; P204-L208 PolarHBondContact O-N 3.28Å; D206-L208 VanDerWaalsContact C-N 3.35Å; L208-S210 VanDerWaalsContact C-N 3.31Å; L208-S210 PolarHBondContact O-N 3.31Å; L208-L211 WeakPolarHBondContact O-CB 3.05Å; L208-L211 PolarHBondContact O-N 2.75Å; L208-L212 PolarHBondContact O-N 3.47Å; L208-L212 VanDerWaalsContact O-N 3.15Å; L208-L261 HydrophobicContact CB-CD1 3.87Å; L208-L261 HydrophobicContact CB-CD2 3.69Å; L208-L261 HydrophobicContact CB-CG 4.46Å; L208-L261 HydrophobicContact CD1-CD2 3.88Å; L208-L261 HydrophobicContact CG-CD2 4.41Å; L208-I270 HydrophobicContact CD1-CG2 3.76Å; L208-Y272 HydrophobicContact CD1-CD1 4.46Å; L208-Y272 HydrophobicContact CD1-CE1 4.05Å; L208-Y272 HydrophobicContact CD2-CE1 4.46Å; L208-F275 HydrophobicContact CD1-CD2 4.27Å; L208-F275 HydrophobicContact CD1-CE2 4.17Å; L208-F275 HydrophobicContact CD1-CZ 4.45Å |
| 209 | G | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 1% | 0.01 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.1 | -41.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q205 D206 L211 L212 Y213 | Q205-G209 PolarHBondContact O-N 3.07Å; D206-G209 PolarHBondContact O-N 3.37Å; G209-L211 VanDerWaalsContact C-N 3.32Å; G209-L211 PolarHBondContact O-N 3.45Å; G209-L212 PolarHBondContact O-N 2.94Å; G209-L212 VanDerWaalsContact O-N 3.17Å; G209-Y213 PolarHBondContact O-N 3.25Å; G209-Y213 VanDerWaalsContact O-N 3.16Å |
| 210 | S | 98.6 | Very high | 97.7 | Very high | 9 Ų | 9 | 13.9 Ų | 13.9 | 6% | 0.063 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.2 | -34.8 | 175.3 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | Y191 D206 D207 L208 Y213 T214 | Y191-S210 VanDerWaalsContact O-CA 3.24Å; Y191-S210 WeakPolarHBondContact O-CA 3.37Å; Y191-S210 WeakPolarHBondContact O-CB 3.47Å; Y191-S210 PolarHBondContact O-OG 3.15Å; Y191-S210 VanDerWaalsContact O-OG 3.09Å; D206-S210 WeakPolarHBondContact O-CB 3.27Å; D206-S210 PolarHBondContact O-N 2.9Å; D206-S210 PolarHBondContact O-OG 3.21Å; D207-S210 PolarHBondContact O-N 3.43Å; L208-S210 VanDerWaalsContact C-N 3.31Å; L208-S210 PolarHBondContact O-N 3.31Å; S210-Y213 PolarHBondContact O-N 2.83Å; S210-T214 WeakPolarHBondContact O-CB 3.29Å; S210-T214 PolarHBondContact O-N 3.29Å; S210-T214 PolarHBondContact O-OG1 3.29Å |
| 211 | L | 98.9 | Very high | 97.9 | Very high | 3 Ų | 3 | 10.5 Ų | 10.5 | 2% | 0.016 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 170.7 | 174.3 | 60.1 | 0 | 0 | 0 | 111.6 | C125 L126 L129 V142 D207 L208 G209 Y213 T214 M215 | C125-L211 HydrophobicContact CB-CD1 3.48Å; C125-L211 VanDerWaalsContact CB-CD1 3.48Å; C125-L211 HydrophobicContact CB-CD2 4.14Å; C125-L211 HydrophobicContact CB-CG 4.48Å; L126-L211 HydrophobicContact CB-CD2 4.09Å; L129-L211 HydrophobicContact CD1-CB 4.05Å; L129-L211 HydrophobicContact CD1-CD2 4.1Å; V142-L211 HydrophobicContact CG1-CB 4.12Å; D207-L211 PolarHBondContact O-N 3.17Å; L208-L211 WeakPolarHBondContact O-CB 3.05Å; L208-L211 PolarHBondContact O-N 2.75Å; G209-L211 VanDerWaalsContact C-N 3.32Å; G209-L211 PolarHBondContact O-N 3.45Å; L211-Y213 PolarHBondContact O-N 3.2Å; L211-T214 WeakPolarHBondContact O-CB 3.47Å; L211-T214 PolarHBondContact O-N 3.47Å; L211-M215 HydrophobicContact CD1-CG 4.38Å; L211-M215 HydrophobicContact CG-SD 4.35Å; L211-M215 WeakPolarHBondContact O-CG 3.38Å; L211-M215 PolarHBondContact O-N 3Å |
| 212 | L | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 12.5 Ų | 12.5 | 3% | 0.026 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | 179.1 | -61 | -173 | 0 | 0 | 0 | 112 | L208 G209 M215 V216 F247 V254 M257 Y258 L261 | L208-L212 PolarHBondContact O-N 3.47Å; L208-L212 VanDerWaalsContact O-N 3.15Å; G209-L212 PolarHBondContact O-N 2.94Å; G209-L212 VanDerWaalsContact O-N 3.17Å; L212-M215 HydrophobicContact CD2-SD 4.06Å; L212-M215 WeakPolarHBondContact O-CB 3.37Å; L212-M215 PolarHBondContact O-N 2.79Å; L212-V216 WeakPolarHBondContact O-CG2 3.33Å; L212-V216 PolarHBondContact O-N 2.7Å; L212-V216 VanDerWaalsContact O-N 3.12Å; L212-F247 HydrophobicContact CB-CE1 4.08Å; L212-F247 HydrophobicContact CB-CZ 4.3Å; L212-V254 HydrophobicContact CD2-CG1 4.36Å; L212-M257 HydrophobicContact CD1-CB 4.07Å; L212-M257 HydrophobicContact CD2-CE 3.97Å; L212-Y258 HydrophobicContact CB-CD2 4.5Å; L212-Y258 HydrophobicContact CD1-CD2 4.01Å; L212-Y258 HydrophobicContact CD1-CG 4.4Å; L212-L261 HydrophobicContact CD1-CD1 3.86Å; L212-L261 HydrophobicContact CG-CD1 4.48Å |
| 213 | Y | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.7 | -37.1 | 172.4 | -69.7 | -19.4 | 0 | 0 | 0 | 112.9 | Y191 G209 S210 L211 M215 V216 E217 L223 W225 I246 F247 Y258 | Y191-Y213 VanDerWaalsContact O-CD2 3.31Å; Y191-Y213 WeakPolarHBondContact O-CD2 3.39Å; G209-Y213 PolarHBondContact O-N 3.25Å; G209-Y213 VanDerWaalsContact O-N 3.16Å; S210-Y213 PolarHBondContact O-N 2.83Å; L211-Y213 PolarHBondContact O-N 3.2Å; Y213-M215 VanDerWaalsContact C-N 3.27Å; Y213-M215 PolarHBondContact O-N 2.81Å; Y213-V216 WeakPolarHBondContact O-CB 3.39Å; Y213-V216 PolarHBondContact O-N 3.35Å; Y213-E217 PolarHBondContact O-N 3.2Å; Y213-E217 VanDerWaalsContact O-N 3.1Å; Y213-L223 HydrophobicContact CD1-CD2 4.13Å; Y213-L223 HydrophobicContact CG-CD2 4.17Å; Y213-W225 HydrophobicContact CD1-CH2 4.31Å; Y213-W225 HydrophobicContact CD1-CZ2 4.18Å; Y213-W225 HydrophobicContact CD2-CZ2 4.07Å; Y213-W225 AromaticContact CE1-CH2 3.78Å; Y213-W225 HydrophobicContact CE1-CH2 3.78Å; Y213-W225 AromaticContact CE1-CZ2 3.95Å; Y213-W225 HydrophobicContact CE1-CZ2 3.95Å; Y213-W225 HydrophobicContact CE2-CH2 4.31Å; Y213-W225 AromaticContact CE2-CZ2 3.83Å; Y213-W225 HydrophobicContact CE2-CZ2 3.83Å; Y213-W225 HydrophobicContact CG-CZ2 4.23Å; Y213-W225 AromaticContact CZ-CH2 3.75Å; Y213-W225 AromaticContact CZ-CZ2 3.74Å; Y213-I246 HydrophobicContact CD1-CG2 4.25Å; Y213-I246 HydrophobicContact CE1-CG2 4.04Å; Y213-F247 HydrophobicContact CE1-CZ 4.43Å; Y213-Y258 HydrophobicContact CD1-CE2 4.49Å; Y213-Y258 HydrophobicContact CE1-CD2 4.46Å; Y213-Y258 AromaticContact CE1-CE2 3.72Å; Y213-Y258 HydrophobicContact CE1-CE2 3.72Å; Y213-Y258 AromaticContact CZ-CE2 3.79Å; Y213-Y258 AromaticContact CZ-CZ 3.93Å; Y213-Y258 PolarHBondContact OH-OH 3.12Å |
| 214 | T | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.1 | -39.6 | 172.8 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | V142 K143 A144 S210 L211 E217 M218 | V142-T214 PolarHBondContact O-OG1 3.41Å; K143-T214 WeakPolarHBondContact CA-OG1 3.44Å; A144-T214 HydrophobicContact CB-CG2 3.8Å; A144-T214 VanDerWaalsContact N-CG2 3.26Å; S210-T214 WeakPolarHBondContact O-CB 3.29Å; S210-T214 PolarHBondContact O-N 3.29Å; S210-T214 PolarHBondContact O-OG1 3.29Å; L211-T214 WeakPolarHBondContact O-CB 3.47Å; L211-T214 PolarHBondContact O-N 3.47Å; T214-E217 PolarHBondContact O-N 2.87Å; T214-M218 HydrophobicContact CG2-CE 4.13Å; T214-M218 WeakPolarHBondContact O-CG 3.44Å; T214-M218 PolarHBondContact O-N 3.17Å |
| 215 | M | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.8 | -39.9 | 174.9 | -69.6 | 169.8 | 62.5 | 0 | 0 | 112.7 | T118 L119 L211 L212 Y213 E217 M218 L219 F250 F279 | T118-M215 HydrophobicContact CG2-CB 3.94Å; T118-M215 HydrophobicContact CG2-CE 4.37Å; T118-M215 HydrophobicContact CG2-CG 4.26Å; L119-M215 HydrophobicContact CD2-CE 3.8Å; L211-M215 HydrophobicContact CD1-CG 4.38Å; L211-M215 HydrophobicContact CG-SD 4.35Å; L211-M215 WeakPolarHBondContact O-CG 3.38Å; L211-M215 PolarHBondContact O-N 3Å; L212-M215 HydrophobicContact CD2-SD 4.06Å; L212-M215 WeakPolarHBondContact O-CB 3.37Å; L212-M215 PolarHBondContact O-N 2.79Å; Y213-M215 VanDerWaalsContact C-N 3.27Å; Y213-M215 PolarHBondContact O-N 2.81Å; M215-E217 VanDerWaalsContact C-N 3.28Å; M215-E217 PolarHBondContact O-N 2.87Å; M215-M218 HydrophobicContact CB-CE 4.08Å; M215-M218 HydrophobicContact CG-CE 3.54Å; M215-M218 WeakPolarHBondContact O-CB 3.38Å; M215-M218 PolarHBondContact O-N 3.38Å; M215-M218 VanDerWaalsContact O-N 3.08Å; M215-L219 PolarHBondContact O-N 2.94Å; M215-F250 HydrophobicContact CB-CE1 4.23Å; M215-F250 HydrophobicContact CB-CZ 4.13Å; M215-F250 HydrophobicContact CE-CE1 4.04Å; M215-F250 WeakPolarHBondContact O-CZ 3.5Å; M215-F279 HydrophobicContact CE-CE1 3.69Å; M215-F279 HydrophobicContact CE-CZ 3.8Å; M215-F279 HydrophobicContact SD-CE1 4.09Å; M215-F279 HydrophobicContact SD-CZ 3.65Å |
| 216 | V | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 16 Ų | 16 | 2% | 0.018 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.9 | -44 | 174.4 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | L212 Y213 M218 L219 H220 L223 I246 F247 F250 | L212-V216 WeakPolarHBondContact O-CG2 3.33Å; L212-V216 PolarHBondContact O-N 2.7Å; L212-V216 VanDerWaalsContact O-N 3.12Å; Y213-V216 WeakPolarHBondContact O-CB 3.39Å; Y213-V216 PolarHBondContact O-N 3.35Å; V216-M218 VanDerWaalsContact C-N 3.35Å; V216-M218 PolarHBondContact O-N 2.73Å; V216-L219 PolarHBondContact O-N 3.18Å; V216-H220 WeakPolarHBondContact O-CB 3.33Å; V216-H220 PolarHBondContact O-N 3.07Å; V216-L223 HydrophobicContact CB-CD2 3.84Å; V216-L223 HydrophobicContact CG1-CD2 3.65Å; V216-L223 HydrophobicContact CG1-CG 4.3Å; V216-I246 WeakPolarHBondContact CG1-O 3.46Å; V216-I246 HydrophobicContact CG2-CG2 4.14Å; V216-I246 WeakPolarHBondContact CG2-O 3.35Å; V216-F247 HydrophobicContact CG2-CD1 3.54Å; V216-F247 HydrophobicContact CG2-CE1 3.69Å; V216-F250 HydrophobicContact CB-CE2 4.5Å; V216-F250 HydrophobicContact CG2-CE2 3.99Å |
| 217 | E | 98.4 | Very high | 98.1 | Very high | 19 Ų | 19 | 24.9 Ų | 24.9 | 9% | 0.089 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.1 | -38.6 | 174.2 | -162.8 | -159 | -160.1 | 0 | 0 | 112.4 | R105 Y191 Y213 T214 M215 L219 G221 | R105-E217 IonicContact CZ-OE1 3.42Å; R105-E217 IonicContact CZ-OE2 3.93Å; R105-E217 IonicContact NH2-OE1 2.65Å; R105-E217 PolarHBondContact NH2-OE1 2.94Å; R105-E217 IonicContact NH2-OE2 3.29Å; R105-E217 PolarHBondContact NH2-OE2 3.06Å; Y191-E217 HydrophobicContact CE1-CB 4.37Å; Y191-E217 VanDerWaalsContact OH-CD 3.24Å; Y191-E217 PolarHBondContact OH-OE1 3.42Å; Y191-E217 PolarHBondContact OH-OE2 3.49Å; Y191-E217 VanDerWaalsContact OH-OE2 3.09Å; Y213-E217 PolarHBondContact O-N 3.2Å; Y213-E217 VanDerWaalsContact O-N 3.1Å; T214-E217 PolarHBondContact O-N 2.87Å; M215-E217 VanDerWaalsContact C-N 3.28Å; M215-E217 PolarHBondContact O-N 2.87Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 2.96Å; E217-G221 CarbonylContact O-C 3.52Å; E217-G221 WeakPolarHBondContact O-CA 3.49Å; E217-G221 PolarHBondContact O-N 3.25Å |
| 218 | M | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -43.6 | 176 | -74.6 | -172.9 | -75.7 | 0 | 0 | 112.2 | I101 T112 F113 T118 L121 T214 M215 V216 | I101-M218 HydrophobicContact CG2-CG 4.38Å; I101-M218 HydrophobicContact CG2-SD 3.66Å; T112-M218 CarbonylContact C-O 3.57Å; T112-M218 WeakPolarHBondContact CA-O 3.35Å; F113-M218 HydrophobicContact CD2-CB 4.08Å; F113-M218 HydrophobicContact CD2-CG 4.19Å; F113-M218 HydrophobicContact CD2-SD 4.47Å; F113-M218 PolarHBondContact N-O 3.12Å; T118-M218 HydrophobicContact CG2-CB 3.92Å; T118-M218 HydrophobicContact CG2-CE 4.43Å; L121-M218 HydrophobicContact CB-SD 4.47Å; L121-M218 HydrophobicContact CD1-SD 4.12Å; T214-M218 HydrophobicContact CG2-CE 4.13Å; T214-M218 WeakPolarHBondContact O-CG 3.44Å; T214-M218 PolarHBondContact O-N 3.17Å; M215-M218 HydrophobicContact CB-CE 4.08Å; M215-M218 HydrophobicContact CG-CE 3.54Å; M215-M218 WeakPolarHBondContact O-CB 3.38Å; M215-M218 PolarHBondContact O-N 3.38Å; M215-M218 VanDerWaalsContact O-N 3.08Å; V216-M218 VanDerWaalsContact C-N 3.35Å; V216-M218 PolarHBondContact O-N 2.73Å |
| 219 | L | 98.4 | Very high | 97.8 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 14% | 0.141 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -79.8 | -41.8 | -177.4 | -175.2 | 61.9 | 0 | 0 | 0 | 113.3 | T112 F113 L115 T118 M215 V216 E217 F250 | T112-L219 VanDerWaalsContact CB-O 3.31Å; T112-L219 WeakPolarHBondContact CB-O 3.33Å; T112-L219 WeakPolarHBondContact CG2-O 3.39Å; F113-L219 WeakPolarHBondContact O-CD1 3.29Å; L115-L219 HydrophobicContact CB-CD1 4.31Å; L115-L219 HydrophobicContact CD1-CD2 4.16Å; T118-L219 HydrophobicContact CG2-CB 4.43Å; M215-L219 PolarHBondContact O-N 2.94Å; V216-L219 PolarHBondContact O-N 3.18Å; E217-L219 VanDerWaalsContact C-N 3.35Å; E217-L219 PolarHBondContact O-N 2.96Å; L219-F250 HydrophobicContact CB-CE1 4.45Å; L219-F250 HydrophobicContact CB-CE2 3.94Å; L219-F250 HydrophobicContact CB-CZ 3.59Å; L219-F250 HydrophobicContact CD2-CD1 4.28Å; L219-F250 HydrophobicContact CD2-CD2 3.76Å; L219-F250 HydrophobicContact CD2-CE1 3.96Å; L219-F250 HydrophobicContact CD2-CE2 3.39Å; L219-F250 HydrophobicContact CD2-CG 4.19Å; L219-F250 HydrophobicContact CD2-CZ 3.5Å; L219-F250 VanDerWaalsContact CD2-CZ 3.5Å; L219-F250 HydrophobicContact CG-CE2 4.28Å; L219-F250 HydrophobicContact CG-CZ 4.18Å |
| 220 | H | 97.9 | Very high | 97.8 | Very high | 79 Ų | 79 | 40.1 Ų | 40.1 | 37% | 0.366 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -104.8 | -11.2 | -172.3 | -63.3 | -54.5 | 0 | 0 | 0 | 114.3 | V216 S222 K248 | V216-H220 WeakPolarHBondContact O-CB 3.33Å; V216-H220 PolarHBondContact O-N 3.07Å; H220-S222 PolarHBondContact O-N 3.12Å; H220-K248 PolarHBondContact CE1-O 3.39Å; H220-K248 PolarHBondContact NE2-O 3.13Å |
| 221 | G | 97.3 | Very high | 97.5 | Very high | 21 Ų | 21 | 44.7 Ų | 44.7 | 22% | 0.216 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 87.5 | -18.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R105 E217 | R105-G221 PolarHBondContact NH1-O 2.81Å; E217-G221 CarbonylContact O-C 3.52Å; E217-G221 WeakPolarHBondContact O-CA 3.49Å; E217-G221 PolarHBondContact O-N 3.25Å |
| 222 | S | 96.7 | Very high | 97.4 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 40% | 0.399 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -157.3 | 159 | 179.7 | 54.4 | 0 | 0 | 0 | 0 | 112 | H220 S226 | H220-S222 PolarHBondContact O-N 3.12Å; S222-S226 WeakPolarHBondContact CB-OG 3.07Å |
| 223 | L | 97.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | trans | -91 | 156 | 166.4 | -74.9 | 146.9 | 0 | 0 | 0 | 110.3 | V190 Y191 Y213 V216 W225 S226 | V190-L223 HydrophobicContact CG1-CD1 3.6Å; Y191-L223 HydrophobicContact CD1-CD1 3.87Å; Y191-L223 HydrophobicContact CE1-CD1 4Å; Y213-L223 HydrophobicContact CD1-CD2 4.13Å; Y213-L223 HydrophobicContact CG-CD2 4.17Å; V216-L223 HydrophobicContact CB-CD2 3.84Å; V216-L223 HydrophobicContact CG1-CD2 3.65Å; V216-L223 HydrophobicContact CG1-CG 4.3Å; L223-W225 HydrophobicContact CB-CD2 4.45Å; L223-W225 HydrophobicContact CB-CZ2 4.38Å; L223-W225 HydrophobicContact CD2-CH2 4.2Å; L223-W225 HydrophobicContact CD2-CZ2 3.72Å; L223-W225 HydrophobicContact CG-CZ2 4.46Å; L223-W225 PolarHBondContact O-N 3.36Å; L223-S226 PolarHBondContact O-N 3.24Å; L223-S226 PolarHBondContact O-OG 2.92Å | ||
| 224 | P | 97.7 | Very high | 97.3 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -30.5 | -179.2 | -27.9 | 35.9 | 0 | 0 | 0 | 114.4 | M237 T241 | P224-M237 VanDerWaalsContact O-CE 3.28Å; P224-M237 WeakPolarHBondContact O-CE 3.39Å; P224-T241 HydrophobicContact CB-CG2 4.38Å; P224-T241 HydrophobicContact CG-CG2 4.2Å |
| 225 | W | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 4 | -178.3 | 53.8 | 78.4 | 0 | 0 | 0 | 114.2 | V190 Y213 L223 K227 E228 M234 M237 K238 I246 | V190-W225 PolarHBondContact O-NE1 2.68Å; Y213-W225 HydrophobicContact CD1-CH2 4.31Å; Y213-W225 HydrophobicContact CD1-CZ2 4.18Å; Y213-W225 HydrophobicContact CD2-CZ2 4.07Å; Y213-W225 AromaticContact CE1-CH2 3.78Å; Y213-W225 HydrophobicContact CE1-CH2 3.78Å; Y213-W225 AromaticContact CE1-CZ2 3.95Å; Y213-W225 HydrophobicContact CE1-CZ2 3.95Å; Y213-W225 HydrophobicContact CE2-CH2 4.31Å; Y213-W225 AromaticContact CE2-CZ2 3.83Å; Y213-W225 HydrophobicContact CE2-CZ2 3.83Å; Y213-W225 HydrophobicContact CG-CZ2 4.23Å; Y213-W225 AromaticContact CZ-CH2 3.75Å; Y213-W225 AromaticContact CZ-CZ2 3.74Å; L223-W225 HydrophobicContact CB-CD2 4.45Å; L223-W225 HydrophobicContact CB-CZ2 4.38Å; L223-W225 HydrophobicContact CD2-CH2 4.2Å; L223-W225 HydrophobicContact CD2-CZ2 3.72Å; L223-W225 HydrophobicContact CG-CZ2 4.46Å; L223-W225 PolarHBondContact O-N 3.36Å; W225-K227 PolarHBondContact O-N 2.74Å; W225-E228 WeakPolarHBondContact O-CB 3.44Å; W225-E228 PolarHBondContact O-N 2.84Å; W225-M234 HydrophobicContact CB-CG 3.95Å; W225-M234 HydrophobicContact CG-CG 3.94Å; W225-M237 HydrophobicContact CB-CB 3.91Å; W225-M237 HydrophobicContact CB-CE 4.04Å; W225-M237 HydrophobicContact CB-SD 3.9Å; W225-K238 HydrophobicContact CD2-CG 3.54Å; W225-K238 HydrophobicContact CE3-CB 4.42Å; W225-K238 HydrophobicContact CE3-CG 3.76Å; W225-K238 HydrophobicContact CG-CG 4.13Å; W225-K238 HydrophobicContact CH2-CG 3.92Å; W225-K238 HydrophobicContact CZ2-CD 4.36Å; W225-K238 HydrophobicContact CZ2-CG 3.7Å; W225-K238 HydrophobicContact CZ3-CB 4.38Å; W225-K238 HydrophobicContact CZ3-CG 3.95Å; W225-I246 HydrophobicContact CH2-CD1 3.88Å; W225-I246 HydrophobicContact CH2-CG1 4.21Å; W225-I246 HydrophobicContact CH2-CG2 4.34Å; W225-I246 HydrophobicContact CZ3-CD1 3.85Å; W225-I246 HydrophobicContact CZ3-CG1 4.02Å |
| 226 | S | 96.1 | Very high | 97.1 | Very high | 40 Ų | 40 | 60.7 Ų | 60.7 | 28% | 0.28 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -12 | -169.2 | 71.7 | 0 | 0 | 0 | 0 | 115.1 | S222 L223 | S222-S226 WeakPolarHBondContact CB-OG 3.07Å; L223-S226 PolarHBondContact O-N 3.24Å; L223-S226 PolarHBondContact O-OG 2.92Å |
| 227 | K | 95.7 | Very high | 97.1 | Very high | 191 Ų | 191 | 63.4 Ų | 63.4 | 83% | 0.83 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -12.7 | 175.7 | -66.5 | -176.3 | -179.3 | 177.2 | 0 | 112.9 | W225 | W225-K227 PolarHBondContact O-N 2.74Š|
| 228 | E | 97.5 | Very high | 97.1 | Very high | 61 Ų | 61 | 62.7 Ų | 62.7 | 29% | 0.285 | 32% | 0.318 | S | S | . | . | trans | -74.4 | 133.6 | 177.8 | -175.1 | 50.3 | -100.6 | 0 | 0 | 109.5 | W225 D230 I233 M234 M237 | W225-E228 WeakPolarHBondContact O-CB 3.44Å; W225-E228 PolarHBondContact O-N 2.84Å; E228-D230 WeakPolarHBondContact CG-O 3.38Å; E228-D230 WeakPolarHBondContact OE1-CB 3.49Å; E228-D230 PolarHBondContact OE1-N 2.72Å; E228-I233 HydrophobicContact CG-CB 3.9Å; E228-I233 HydrophobicContact CG-CG2 3.82Å; E228-M234 HydrophobicContact CB-CB 4.4Å; E228-M234 HydrophobicContact CG-CB 4.16Å; E228-M234 WeakPolarHBondContact O-CE 3.13Å; E228-M237 HydrophobicContact CB-SD 4.07Å; E228-M237 HydrophobicContact CG-SD 4.35Å | ||
| 229 | K | 94.9 | Very high | 97 | Very high | 193 Ų | 193 | 66.7 Ų | 66.7 | 84% | 0.839 | 34% | 0.343 | S | S | * | . | trans | -102.5 | -27.2 | 179.8 | -66 | -175 | 179.9 | -179.6 | 0 | 111.9 | E231 | K229-E231 PolarHBondContact O-N 2.93Š| ||
| 230 | D | 96.9 | Very high | 96.9 | Very high | 73 Ų | 73 | 72.2 Ų | 72.2 | 39% | 0.39 | 37% | 0.365 | S | S | . | . | trans | -75.5 | 120.7 | 175.7 | -173.4 | -65.5 | 0 | 0 | 0 | 109.7 | E228 D232 I233 M234 | E228-D230 WeakPolarHBondContact CG-O 3.38Å; E228-D230 WeakPolarHBondContact OE1-CB 3.49Å; E228-D230 PolarHBondContact OE1-N 2.72Å; D230-D232 VanDerWaalsContact C-N 3.34Å; D230-D232 PolarHBondContact O-N 3.44Å; D230-D232 WeakPolarHBondContact OD1-CB 3.3Å; D230-D232 PolarHBondContact OD1-N 2.92Å; D230-I233 HydrophobicContact CB-CB 4.04Å; D230-I233 HydrophobicContact CB-CD1 3.82Å; D230-I233 HydrophobicContact CB-CG1 3.94Å; D230-I233 PolarHBondContact O-N 3.17Å; D230-I233 PolarHBondContact OD1-N 2.97Å; D230-M234 WeakPolarHBondContact O-CB 3.05Å; D230-M234 PolarHBondContact O-N 3.44Å | ||
| 231 | E | 93.9 | Very high | 96.9 | Very high | 105 Ų | 105 | 69.4 Ų | 69.4 | 49% | 0.491 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -68 | -34.7 | -174.1 | -62 | -170.8 | 172.7 | 0 | 0 | 112.1 | T189 Q197 K229 M234 L235 | T189-E231 HydrophobicContact CG2-CG 4.13Å; T189-E231 WeakPolarHBondContact CG2-OE1 3.23Å; Q197-E231 PolarHBondContact NE2-O 3.19Å; K229-E231 PolarHBondContact O-N 2.93Å; E231-M234 PolarHBondContact O-N 3.25Å; E231-L235 WeakPolarHBondContact O-CB 3.33Å; E231-L235 PolarHBondContact O-N 3.28Å |
| 232 | D | 95.1 | Very high | 96.9 | Very high | 129 Ų | 129 | 71.2 Ų | 71.2 | 69% | 0.69 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -71.5 | -41.1 | 179.6 | -69.3 | -33.6 | 0 | 0 | 0 | 110.8 | D230 L235 H236 | D230-D232 VanDerWaalsContact C-N 3.34Å; D230-D232 PolarHBondContact O-N 3.44Å; D230-D232 WeakPolarHBondContact OD1-CB 3.3Å; D230-D232 PolarHBondContact OD1-N 2.92Å; D232-L235 PolarHBondContact O-N 3.07Å; D232-H236 PolarHBondContact O-N 2.79Å |
| 233 | I | 97.7 | Very high | 97 | Very high | 80 Ų | 80 | 70.6 Ų | 70.6 | 41% | 0.41 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 173.2 | -59.3 | 177.9 | 0 | 0 | 0 | 110 | E228 D230 L235 H236 M237 | E228-I233 HydrophobicContact CG-CB 3.9Å; E228-I233 HydrophobicContact CG-CG2 3.82Å; D230-I233 HydrophobicContact CB-CB 4.04Å; D230-I233 HydrophobicContact CB-CD1 3.82Å; D230-I233 HydrophobicContact CB-CG1 3.94Å; D230-I233 PolarHBondContact O-N 3.17Å; D230-I233 PolarHBondContact OD1-N 2.97Å; I233-L235 VanDerWaalsContact C-N 3.33Å; I233-L235 PolarHBondContact O-N 2.91Å; I233-H236 WeakPolarHBondContact O-CB 3.4Å; I233-H236 PolarHBondContact O-N 2.82Å; I233-M237 HydrophobicContact CG2-CG 4.45Å; I233-M237 HydrophobicContact CG2-SD 4.44Å; I233-M237 WeakPolarHBondContact O-CG 3.34Å; I233-M237 PolarHBondContact O-N 2.9Å |
| 234 | M | 97.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 78.5 Ų | 78.5 | 2% | 0.015 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -59.7 | -43.3 | 176.5 | -176.8 | -176.7 | -59.4 | 0 | 0 | 111.7 | V190 W225 E228 D230 E231 M237 K238 | V190-M234 HydrophobicContact CG2-CE 3.99Å; V190-M234 HydrophobicContact CG2-SD 4.37Å; W225-M234 HydrophobicContact CB-CG 3.95Å; W225-M234 HydrophobicContact CG-CG 3.94Å; E228-M234 HydrophobicContact CB-CB 4.4Å; E228-M234 HydrophobicContact CG-CB 4.16Å; E228-M234 WeakPolarHBondContact O-CE 3.13Å; D230-M234 WeakPolarHBondContact O-CB 3.05Å; D230-M234 PolarHBondContact O-N 3.44Å; E231-M234 PolarHBondContact O-N 3.25Å; M234-M237 WeakPolarHBondContact O-CB 3.48Å; M234-M237 PolarHBondContact O-N 3.01Å; M234-K238 WeakPolarHBondContact O-CG 3.44Å; M234-K238 PolarHBondContact O-N 3.08Å |
| 235 | L | 96.8 | Very high | 96.9 | Very high | 32 Ų | 32 | 81.2 Ų | 81.2 | 17% | 0.168 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 175.8 | -180 | 55.2 | 0 | 0 | 0 | 110.8 | I194 Q197 E198 E231 D232 I233 M237 K238 V239 | I194-L235 HydrophobicContact CB-CD1 4.45Å; I194-L235 HydrophobicContact CG2-CD1 3.97Å; Q197-L235 HydrophobicContact CB-CD1 4.09Å; Q197-L235 HydrophobicContact CG-CB 4.35Å; Q197-L235 HydrophobicContact CG-CD1 4.17Å; Q197-L235 HydrophobicContact CG-CD2 4.43Å; E198-L235 HydrophobicContact CG-CD1 4.45Å; E198-L235 HydrophobicContact CG-CD2 4.15Å; E231-L235 WeakPolarHBondContact O-CB 3.33Å; E231-L235 PolarHBondContact O-N 3.28Å; D232-L235 PolarHBondContact O-N 3.07Å; I233-L235 VanDerWaalsContact C-N 3.33Å; I233-L235 PolarHBondContact O-N 2.91Å; L235-M237 VanDerWaalsContact C-N 3.31Å; L235-M237 PolarHBondContact O-N 3.46Å; L235-K238 WeakPolarHBondContact O-CB 3.31Å; L235-K238 PolarHBondContact O-N 2.97Å; L235-K238 VanDerWaalsContact O-N 3.14Å; L235-V239 HydrophobicContact CD1-CG2 4.37Å; L235-V239 WeakPolarHBondContact O-CG2 3.3Å; L235-V239 PolarHBondContact O-N 2.83Å |
| 236 | H | 97.8 | Very high | 96.9 | Very high | 100 Ų | 100 | 81.2 Ų | 81.2 | 46% | 0.463 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 177.3 | -174.1 | 70 | 0 | 0 | 0 | 112.5 | D232 I233 V239 K240 | D232-H236 PolarHBondContact O-N 2.79Å; I233-H236 WeakPolarHBondContact O-CB 3.4Å; I233-H236 PolarHBondContact O-N 2.82Å; H236-V239 PolarHBondContact O-N 2.93Å; H236-K240 WeakPolarHBondContact CE1-CE 3.45Å; H236-K240 PolarHBondContact CE1-NZ 3.41Å; H236-K240 VanDerWaalsContact CE1-NZ 3.35Å; H236-K240 WeakPolarHBondContact NE2-CE 3.43Å; H236-K240 PolarHBondContact NE2-NZ 3.1Å; H236-K240 WeakPolarHBondContact O-CB 3.08Å; H236-K240 PolarHBondContact O-N 2.98Å |
| 237 | M | 98.3 | Very high | 97 | Very high | 59 Ų | 59 | 79.6 Ų | 79.6 | 29% | 0.291 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 173.4 | -69.5 | -179.6 | 77.4 | 0 | 0 | 111.4 | P224 W225 E228 I233 M234 L235 V239 K240 T241 | P224-M237 VanDerWaalsContact O-CE 3.28Å; P224-M237 WeakPolarHBondContact O-CE 3.39Å; W225-M237 HydrophobicContact CB-CB 3.91Å; W225-M237 HydrophobicContact CB-CE 4.04Å; W225-M237 HydrophobicContact CB-SD 3.9Å; E228-M237 HydrophobicContact CB-SD 4.07Å; E228-M237 HydrophobicContact CG-SD 4.35Å; I233-M237 HydrophobicContact CG2-CG 4.45Å; I233-M237 HydrophobicContact CG2-SD 4.44Å; I233-M237 WeakPolarHBondContact O-CG 3.34Å; I233-M237 PolarHBondContact O-N 2.9Å; M234-M237 WeakPolarHBondContact O-CB 3.48Å; M234-M237 PolarHBondContact O-N 3.01Å; L235-M237 VanDerWaalsContact C-N 3.31Å; L235-M237 PolarHBondContact O-N 3.46Å; M237-V239 VanDerWaalsContact C-N 3.31Å; M237-V239 PolarHBondContact O-N 3.37Å; M237-K240 PolarHBondContact O-N 2.98Å; M237-T241 WeakPolarHBondContact O-CB 3.4Å; M237-T241 PolarHBondContact O-N 3.49Å; M237-T241 PolarHBondContact O-OG1 3.19Å |
| 238 | K | 97.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 77.4 Ų | 77.4 | 2% | 0.017 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 176.7 | -73.4 | 175.9 | -179.5 | 179 | 0 | 112.4 | T189 C192 I194 W225 M234 L235 | T189-K238 PolarHBondContact O-NZ 3.04Å; C192-K238 PolarHBondContact O-NZ 3Å; C192-K238 PolarHBondContact SG-NZ 3.43Å; C192-K238 VanDerWaalsContact SG-NZ 3.42Å; I194-K238 HydrophobicContact CD1-CB 4.27Å; I194-K238 HydrophobicContact CG1-CB 3.89Å; I194-K238 HydrophobicContact CG1-CD 4.5Å; W225-K238 HydrophobicContact CD2-CG 3.54Å; W225-K238 HydrophobicContact CE3-CB 4.42Å; W225-K238 HydrophobicContact CE3-CG 3.76Å; W225-K238 HydrophobicContact CG-CG 4.13Å; W225-K238 HydrophobicContact CH2-CG 3.92Å; W225-K238 HydrophobicContact CZ2-CD 4.36Å; W225-K238 HydrophobicContact CZ2-CG 3.7Å; W225-K238 HydrophobicContact CZ3-CB 4.38Å; W225-K238 HydrophobicContact CZ3-CG 3.95Å; M234-K238 WeakPolarHBondContact O-CG 3.44Å; M234-K238 PolarHBondContact O-N 3.08Å; L235-K238 WeakPolarHBondContact O-CB 3.31Å; L235-K238 PolarHBondContact O-N 2.97Å; L235-K238 VanDerWaalsContact O-N 3.14Å |
| 239 | V | 97 | Very high | 97.1 | Very high | 85 Ų | 85 | 77.1 Ų | 77.1 | 52% | 0.515 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -68.1 | -43 | 179.9 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | I194 L235 H236 M237 | I194-V239 HydrophobicContact CD1-CG2 4.02Å; I194-V239 HydrophobicContact CG1-CG2 4.35Å; I194-V239 HydrophobicContact CG2-CG2 4.01Å; L235-V239 HydrophobicContact CD1-CG2 4.37Å; L235-V239 WeakPolarHBondContact O-CG2 3.3Å; L235-V239 PolarHBondContact O-N 2.83Å; H236-V239 PolarHBondContact O-N 2.93Å; M237-V239 VanDerWaalsContact C-N 3.31Å; M237-V239 PolarHBondContact O-N 3.37Å |
| 240 | K | 97.5 | Very high | 97.2 | Very high | 143 Ų | 143 | 68.8 Ų | 68.8 | 62% | 0.622 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -81.4 | -27 | -175 | -76 | -168.2 | 166.8 | -178.8 | 0 | 114.6 | H236 M237 P242 | H236-K240 WeakPolarHBondContact CE1-CE 3.45Å; H236-K240 PolarHBondContact CE1-NZ 3.41Å; H236-K240 VanDerWaalsContact CE1-NZ 3.35Å; H236-K240 WeakPolarHBondContact NE2-CE 3.43Å; H236-K240 PolarHBondContact NE2-NZ 3.1Å; H236-K240 WeakPolarHBondContact O-CB 3.08Å; H236-K240 PolarHBondContact O-N 2.98Å; M237-K240 PolarHBondContact O-N 2.98Å; K240-P242 VanDerWaalsContact O-CD 3.29Å; K240-P242 WeakPolarHBondContact O-CD 3.4Å |
| 241 | T | 97.8 | Very high | 97.3 | Very high | 21 Ų | 21 | 66.6 Ų | 66.6 | 13% | 0.129 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -70.2 | 120.4 | -176.4 | -53.2 | 0 | 0 | 0 | 0 | 110 | P224 M237 E245 I246 | P224-T241 HydrophobicContact CB-CG2 4.38Å; P224-T241 HydrophobicContact CG-CG2 4.2Å; M237-T241 WeakPolarHBondContact O-CB 3.4Å; M237-T241 PolarHBondContact O-N 3.49Å; M237-T241 PolarHBondContact O-OG1 3.19Å; T241-E245 HydrophobicContact CG2-CB 4.13Å; T241-E245 HydrophobicContact CG2-CG 4.2Å; T241-I246 HydrophobicContact CG2-CD1 4.24Å; T241-I246 HydrophobicContact CG2-CG1 3.56Å |
| 242 | P | 97.1 | Very high | 97.4 | Very high | 58 Ų | 58 | 66.6 Ų | 66.6 | 38% | 0.377 | 35% | 0.35 | S | S | . | . | trans | -61.9 | 141.6 | 179.3 | -24.3 | 35.7 | 0 | 0 | 0 | 112.1 | K240 K244 E245 I246 | K240-P242 VanDerWaalsContact O-CD 3.29Å; K240-P242 WeakPolarHBondContact O-CD 3.4Å; P242-K244 HydrophobicContact CB-CG 3.85Å; P242-K244 PolarHBondContact O-N 3.2Å; P242-K244 VanDerWaalsContact O-N 3.1Å; P242-E245 WeakPolarHBondContact O-CA 3.43Å; P242-E245 WeakPolarHBondContact O-CB 3.49Å; P242-E245 PolarHBondContact O-N 3.38Å; P242-I246 PolarHBondContact O-N 3.01Å; P242-I246 VanDerWaalsContact O-N 3.11Å | ||
| 243 | L | 97.3 | Very high | 97.6 | Very high | 45 Ų | 45 | 62.1 Ų | 62.1 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.5 | -33 | 179 | -60.6 | -174.5 | 0 | 0 | 0 | 113.1 | E245 I246 F247 T255 Y258 | L243-E245 PolarHBondContact O-N 3.12Å; L243-I246 HydrophobicContact CD2-CD1 4.17Å; L243-I246 PolarHBondContact O-N 3.09Å; L243-F247 HydrophobicContact CB-CD2 4.23Å; L243-F247 HydrophobicContact CB-CE2 4.45Å; L243-F247 HydrophobicContact CD2-CE2 4.16Å; L243-F247 WeakPolarHBondContact O-CB 3.41Å; L243-F247 WeakPolarHBondContact O-CD2 3.43Å; L243-F247 PolarHBondContact O-N 3.5Å; L243-T255 HydrophobicContact CB-CG2 3.88Å; L243-T255 HydrophobicContact CD1-CG2 4.05Å; L243-Y258 HydrophobicContact CD1-CD1 3.97Å; L243-Y258 HydrophobicContact CD2-CD1 3.53Å; L243-Y258 HydrophobicContact CD2-CE1 3.6Å; L243-Y258 HydrophobicContact CG-CD1 4.42Å |
| 244 | K | 96.4 | Very high | 97.6 | Very high | 170 Ų | 170 | 58.3 Ų | 58.3 | 74% | 0.739 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -61.5 | -28 | 175.3 | 65.8 | 175 | -176.8 | 179.9 | 0 | 113.3 | P242 K248 | P242-K244 HydrophobicContact CB-CG 3.85Å; P242-K244 PolarHBondContact O-N 3.2Å; P242-K244 VanDerWaalsContact O-N 3.1Å; K244-K248 PolarHBondContact O-N 3.18Å |
| 245 | E | 97.3 | Very high | 97.6 | Very high | 112 Ų | 112 | 60 Ų | 60 | 52% | 0.523 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -85.6 | -45.1 | 178.6 | -173.2 | 176.1 | 157.8 | 0 | 0 | 110.1 | T241 P242 L243 F247 K248 | T241-E245 HydrophobicContact CG2-CB 4.13Å; T241-E245 HydrophobicContact CG2-CG 4.2Å; P242-E245 WeakPolarHBondContact O-CA 3.43Å; P242-E245 WeakPolarHBondContact O-CB 3.49Å; P242-E245 PolarHBondContact O-N 3.38Å; L243-E245 PolarHBondContact O-N 3.12Å; E245-F247 VanDerWaalsContact C-N 3.32Å; E245-F247 PolarHBondContact O-N 3.29Å; E245-K248 WeakPolarHBondContact O-CB 3.46Å; E245-K248 PolarHBondContact O-N 2.93Å |
| 246 | I | 98.1 | Very high | 97.7 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.4 | -47.3 | 175.2 | -60.4 | 172.9 | 0 | 0 | 0 | 110.8 | Y213 V216 W225 T241 P242 L243 | Y213-I246 HydrophobicContact CD1-CG2 4.25Å; Y213-I246 HydrophobicContact CE1-CG2 4.04Å; V216-I246 WeakPolarHBondContact CG1-O 3.46Å; V216-I246 HydrophobicContact CG2-CG2 4.14Å; V216-I246 WeakPolarHBondContact CG2-O 3.35Å; W225-I246 HydrophobicContact CH2-CD1 3.88Å; W225-I246 HydrophobicContact CH2-CG1 4.21Å; W225-I246 HydrophobicContact CH2-CG2 4.34Å; W225-I246 HydrophobicContact CZ3-CD1 3.85Å; W225-I246 HydrophobicContact CZ3-CG1 4.02Å; T241-I246 HydrophobicContact CG2-CD1 4.24Å; T241-I246 HydrophobicContact CG2-CG1 3.56Å; P242-I246 PolarHBondContact O-N 3.01Å; P242-I246 VanDerWaalsContact O-N 3.11Å; L243-I246 HydrophobicContact CD2-CD1 4.17Å; L243-I246 PolarHBondContact O-N 3.09Å |
| 247 | F | 98.3 | Very high | 97.7 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 2% | 0.022 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 23.5 | -176.5 | -56.4 | -58.4 | 0 | 0 | 0 | 113.2 | L212 Y213 V216 L243 E245 G249 F250 V254 Y258 | L212-F247 HydrophobicContact CB-CE1 4.08Å; L212-F247 HydrophobicContact CB-CZ 4.3Å; Y213-F247 HydrophobicContact CE1-CZ 4.43Å; V216-F247 HydrophobicContact CG2-CD1 3.54Å; V216-F247 HydrophobicContact CG2-CE1 3.69Å; L243-F247 HydrophobicContact CB-CD2 4.23Å; L243-F247 HydrophobicContact CB-CE2 4.45Å; L243-F247 HydrophobicContact CD2-CE2 4.16Å; L243-F247 WeakPolarHBondContact O-CB 3.41Å; L243-F247 WeakPolarHBondContact O-CD2 3.43Å; L243-F247 PolarHBondContact O-N 3.5Å; E245-F247 VanDerWaalsContact C-N 3.32Å; E245-F247 PolarHBondContact O-N 3.29Å; F247-G249 PolarHBondContact O-N 3.01Å; F247-F250 HydrophobicContact CB-CB 4.44Å; F247-F250 HydrophobicContact CB-CD2 4.39Å; F247-F250 WeakPolarHBondContact O-CB 3.5Å; F247-F250 PolarHBondContact O-N 3.16Å; F247-V254 HydrophobicContact CB-CG1 4.36Å; F247-V254 HydrophobicContact CD1-CG1 3.48Å; F247-V254 VanDerWaalsContact CD1-CG1 3.48Å; F247-V254 HydrophobicContact CE1-CG1 3.84Å; F247-V254 HydrophobicContact CG-CG1 3.88Å; F247-V254 HydrophobicContact CZ-CG1 4.5Å; F247-Y258 HydrophobicContact CE2-CD1 4.12Å; F247-Y258 HydrophobicContact CE2-CD2 4.08Å; F247-Y258 AromaticContact CE2-CG 3.64Å; F247-Y258 HydrophobicContact CE2-CG 3.64Å; F247-Y258 HydrophobicContact CZ-CD1 4.46Å; F247-Y258 AromaticContact CZ-CD2 3.61Å; F247-Y258 HydrophobicContact CZ-CD2 3.61Å; F247-Y258 HydrophobicContact CZ-CE2 4.36Å; F247-Y258 AromaticContact CZ-CG 3.67Å; F247-Y258 HydrophobicContact CZ-CG 3.67Å |
| 248 | K | 97.7 | Very high | 97.7 | Very high | 146 Ų | 146 | 53.4 Ų | 53.4 | 64% | 0.635 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 136.4 | 174.7 | -176.6 | 178.7 | 178.2 | -177.8 | 0 | 110 | H220 K244 E245 F250 | H220-K248 PolarHBondContact CE1-O 3.39Å; H220-K248 PolarHBondContact NE2-O 3.13Å; K244-K248 PolarHBondContact O-N 3.18Å; E245-K248 WeakPolarHBondContact O-CB 3.46Å; E245-K248 PolarHBondContact O-N 2.93Å; K248-F250 PolarHBondContact O-N 3.2Å |
| 249 | G | 97.6 | Very high | 97.7 | Very high | 54 Ų | 54 | 55.8 Ų | 55.8 | 56% | 0.557 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.7 | -8.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.5 | F247 | F247-G249 PolarHBondContact O-N 3.01Š|
| 250 | F | 98.4 | Very high | 97.8 | Very high | 19 Ų | 19 | 55.4 Ų | 55.4 | 8% | 0.083 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -87.2 | 153.7 | 167.6 | -71.4 | -87.2 | 0 | 0 | 0 | 111.4 | L115 T118 L119 M215 V216 L219 F247 K248 V254 | L115-F250 HydrophobicContact CD1-CD1 3.81Å; L115-F250 HydrophobicContact CD1-CE1 4.1Å; T118-F250 HydrophobicContact CG2-CE1 3.86Å; T118-F250 HydrophobicContact CG2-CZ 4.07Å; L119-F250 HydrophobicContact CD2-CD1 4.48Å; M215-F250 HydrophobicContact CB-CE1 4.23Å; M215-F250 HydrophobicContact CB-CZ 4.13Å; M215-F250 HydrophobicContact CE-CE1 4.04Å; M215-F250 WeakPolarHBondContact O-CZ 3.5Å; V216-F250 HydrophobicContact CB-CE2 4.5Å; V216-F250 HydrophobicContact CG2-CE2 3.99Å; L219-F250 HydrophobicContact CB-CE1 4.45Å; L219-F250 HydrophobicContact CB-CE2 3.94Å; L219-F250 HydrophobicContact CB-CZ 3.59Å; L219-F250 HydrophobicContact CD2-CD1 4.28Å; L219-F250 HydrophobicContact CD2-CD2 3.76Å; L219-F250 HydrophobicContact CD2-CE1 3.96Å; L219-F250 HydrophobicContact CD2-CE2 3.39Å; L219-F250 HydrophobicContact CD2-CG 4.19Å; L219-F250 HydrophobicContact CD2-CZ 3.5Å; L219-F250 VanDerWaalsContact CD2-CZ 3.5Å; L219-F250 HydrophobicContact CG-CE2 4.28Å; L219-F250 HydrophobicContact CG-CZ 4.18Å; F247-F250 HydrophobicContact CB-CB 4.44Å; F247-F250 HydrophobicContact CB-CD2 4.39Å; F247-F250 WeakPolarHBondContact O-CB 3.5Å; F247-F250 PolarHBondContact O-N 3.16Å; K248-F250 PolarHBondContact O-N 3.2Å; F250-V254 HydrophobicContact CB-CB 3.87Å; F250-V254 HydrophobicContact CB-CG1 4.37Å; F250-V254 HydrophobicContact CB-CG2 3.72Å; F250-V254 HydrophobicContact CD1-CG2 3.77Å; F250-V254 HydrophobicContact CG-CB 4.32Å; F250-V254 HydrophobicContact CG-CG1 4.36Å; F250-V254 HydrophobicContact CG-CG2 4.01Å |
| 251 | P | 97.8 | Very high | 97.8 | Very high | 27 Ų | 27 | 49 Ų | 49 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | trans | -58 | 150.2 | 167.2 | -22.9 | 34.1 | 0 | 0 | 0 | 111.6 | L115 Q253 V254 M282 | L115-P251 HydrophobicContact CD2-CG 4.42Å; P251-Q253 PolarHBondContact O-N 2.86Å; P251-V254 PolarHBondContact O-N 3.04Å; P251-M282 HydrophobicContact CB-CG 3.81Å; P251-M282 HydrophobicContact CB-SD 3.79Å; P251-M282 HydrophobicContact CG-CB 4.29Å; P251-M282 HydrophobicContact CG-CG 3.92Å; P251-M282 HydrophobicContact CG-SD 3.81Å | ||
| 252 | P | 97.1 | Very high | 97.8 | Very high | 104 Ų | 104 | 54.7 Ų | 54.7 | 68% | 0.675 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -53.6 | -24.3 | -178.1 | -27.4 | 34.3 | 0 | 0 | 0 | 114.9 | V254 T255 A256 | P252-V254 PolarHBondContact O-N 3.22Å; P252-T255 WeakPolarHBondContact O-CB 3.35Å; P252-T255 PolarHBondContact O-N 2.68Å; P252-A256 PolarHBondContact O-N 3.09Å |
| 253 | Q | 97.8 | Very high | 97.8 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 16% | 0.164 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.3 | -30.6 | 176.8 | -63.7 | 90.1 | -39.1 | 0 | 0 | 112.6 | P251 A256 M257 C278 M282 | P251-Q253 PolarHBondContact O-N 2.86Å; Q253-A256 PolarHBondContact O-N 3.34Å; Q253-M257 WeakPolarHBondContact O-CB 3.24Å; Q253-M257 VanDerWaalsContact O-CG 3.29Å; Q253-M257 WeakPolarHBondContact O-CG 3.42Å; Q253-M257 PolarHBondContact O-N 3.43Å; Q253-C278 HydrophobicContact CB-CB 4.34Å; Q253-M282 HydrophobicContact CB-CE 4.49Å; Q253-M282 HydrophobicContact CB-CG 3.83Å; Q253-M282 HydrophobicContact CB-SD 3.79Å; Q253-M282 HydrophobicContact CG-CG 4.09Å |
| 254 | V | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.7 | -42.6 | 176.1 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | L212 F247 F250 P251 P252 A256 M257 Y258 M282 | L212-V254 HydrophobicContact CD2-CG1 4.36Å; F247-V254 HydrophobicContact CB-CG1 4.36Å; F247-V254 HydrophobicContact CD1-CG1 3.48Å; F247-V254 VanDerWaalsContact CD1-CG1 3.48Å; F247-V254 HydrophobicContact CE1-CG1 3.84Å; F247-V254 HydrophobicContact CG-CG1 3.88Å; F247-V254 HydrophobicContact CZ-CG1 4.5Å; F250-V254 HydrophobicContact CB-CB 3.87Å; F250-V254 HydrophobicContact CB-CG1 4.37Å; F250-V254 HydrophobicContact CB-CG2 3.72Å; F250-V254 HydrophobicContact CD1-CG2 3.77Å; F250-V254 HydrophobicContact CG-CB 4.32Å; F250-V254 HydrophobicContact CG-CG1 4.36Å; F250-V254 HydrophobicContact CG-CG2 4.01Å; P251-V254 PolarHBondContact O-N 3.04Å; P252-V254 PolarHBondContact O-N 3.22Å; V254-A256 VanDerWaalsContact C-N 3.33Å; V254-A256 PolarHBondContact O-N 3.24Å; V254-M257 HydrophobicContact CB-CE 4.26Å; V254-M257 HydrophobicContact CG2-CE 3.93Å; V254-M257 PolarHBondContact O-N 3.22Å; V254-Y258 PolarHBondContact O-N 3.48Å; V254-M282 HydrophobicContact CG2-CE 4.03Å; V254-M282 HydrophobicContact CG2-SD 3.62Å |
| 255 | T | 98.2 | Very high | 97.7 | Very high | 40 Ų | 40 | 50.3 Ų | 50.3 | 25% | 0.245 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 172.6 | -54.5 | 0 | 0 | 0 | 0 | 111.4 | L243 P252 Y258 S259 | L243-T255 HydrophobicContact CB-CG2 3.88Å; L243-T255 HydrophobicContact CD1-CG2 4.05Å; P252-T255 WeakPolarHBondContact O-CB 3.35Å; P252-T255 PolarHBondContact O-N 2.68Å; T255-Y258 PolarHBondContact O-N 3.08Å; T255-S259 WeakPolarHBondContact O-CB 3.16Å; T255-S259 PolarHBondContact O-N 3.22Å; T255-S259 PolarHBondContact O-OG 2.93Å; T255-S259 VanDerWaalsContact O-OG 3.13Å |
| 256 | A | 98.1 | Very high | 97.5 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P252 Q253 V254 S259 K260 | P252-A256 PolarHBondContact O-N 3.09Å; Q253-A256 PolarHBondContact O-N 3.34Å; V254-A256 VanDerWaalsContact C-N 3.33Å; V254-A256 PolarHBondContact O-N 3.24Å; A256-S259 PolarHBondContact O-N 3.49Å; A256-K260 WeakPolarHBondContact O-CB 3.5Å; A256-K260 PolarHBondContact O-N 2.63Å |
| 257 | M | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.6 | -48.4 | 174 | -74.5 | -171.9 | -59.9 | 0 | 0 | 111.4 | L212 Q253 V254 S259 K260 L261 Y274 F275 C278 F279 M282 | L212-M257 HydrophobicContact CD1-CB 4.07Å; L212-M257 HydrophobicContact CD2-CE 3.97Å; Q253-M257 WeakPolarHBondContact O-CB 3.24Å; Q253-M257 VanDerWaalsContact O-CG 3.29Å; Q253-M257 WeakPolarHBondContact O-CG 3.42Å; Q253-M257 PolarHBondContact O-N 3.43Å; V254-M257 HydrophobicContact CB-CE 4.26Å; V254-M257 HydrophobicContact CG2-CE 3.93Å; V254-M257 PolarHBondContact O-N 3.22Å; M257-S259 PolarHBondContact O-N 2.87Å; M257-K260 WeakPolarHBondContact O-CB 3.43Å; M257-K260 PolarHBondContact O-N 3.36Å; M257-L261 WeakPolarHBondContact O-CG 3.37Å; M257-L261 PolarHBondContact O-N 2.95Å; M257-Y274 HydrophobicContact CG-CE1 4.1Å; M257-F275 HydrophobicContact CB-CD1 3.88Å; M257-F275 HydrophobicContact CB-CE1 3.84Å; M257-F275 HydrophobicContact CG-CD1 3.66Å; M257-F275 HydrophobicContact CG-CE1 4.07Å; M257-F275 HydrophobicContact SD-CB 4.35Å; M257-F275 HydrophobicContact SD-CD1 3.74Å; M257-C278 HydrophobicContact CE-CB 4.47Å; M257-C278 HydrophobicContact CG-CB 3.8Å; M257-C278 HydrophobicContact SD-CB 3.51Å; M257-C278 VanDerWaalsContact SD-CB 3.51Å; M257-F279 HydrophobicContact CE-CE2 4.21Å; M257-F279 HydrophobicContact SD-CD2 4.3Å; M257-F279 HydrophobicContact SD-CE2 4.16Å; M257-M282 HydrophobicContact CE-CE 3.68Å |
| 258 | Y | 98.4 | Very high | 97.3 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.9 | -43 | 178.2 | -168.8 | -91.3 | 0 | 0 | 0 | 112 | L212 Y213 L243 F247 V254 T255 K260 L261 K262 | L212-Y258 HydrophobicContact CB-CD2 4.5Å; L212-Y258 HydrophobicContact CD1-CD2 4.01Å; L212-Y258 HydrophobicContact CD1-CG 4.4Å; Y213-Y258 HydrophobicContact CD1-CE2 4.49Å; Y213-Y258 HydrophobicContact CE1-CD2 4.46Å; Y213-Y258 AromaticContact CE1-CE2 3.72Å; Y213-Y258 HydrophobicContact CE1-CE2 3.72Å; Y213-Y258 AromaticContact CZ-CE2 3.79Å; Y213-Y258 AromaticContact CZ-CZ 3.93Å; Y213-Y258 PolarHBondContact OH-OH 3.12Å; L243-Y258 HydrophobicContact CD1-CD1 3.97Å; L243-Y258 HydrophobicContact CD2-CD1 3.53Å; L243-Y258 HydrophobicContact CD2-CE1 3.6Å; L243-Y258 HydrophobicContact CG-CD1 4.42Å; F247-Y258 HydrophobicContact CE2-CD1 4.12Å; F247-Y258 HydrophobicContact CE2-CD2 4.08Å; F247-Y258 AromaticContact CE2-CG 3.64Å; F247-Y258 HydrophobicContact CE2-CG 3.64Å; F247-Y258 HydrophobicContact CZ-CD1 4.46Å; F247-Y258 AromaticContact CZ-CD2 3.61Å; F247-Y258 HydrophobicContact CZ-CD2 3.61Å; F247-Y258 HydrophobicContact CZ-CE2 4.36Å; F247-Y258 AromaticContact CZ-CG 3.67Å; F247-Y258 HydrophobicContact CZ-CG 3.67Å; V254-Y258 PolarHBondContact O-N 3.48Å; T255-Y258 PolarHBondContact O-N 3.08Å; Y258-K260 VanDerWaalsContact C-N 3.32Å; Y258-K260 PolarHBondContact O-N 2.59Å; Y258-L261 WeakPolarHBondContact O-CB 2.95Å; Y258-L261 PolarHBondContact O-N 3.29Å; Y258-K262 HydrophobicContact CD1-CD 4.12Å; Y258-K262 HydrophobicContact CD1-CG 4.26Å; Y258-K262 HydrophobicContact CE1-CD 3.79Å; Y258-K262 HydrophobicContact CE1-CG 3.98Å; Y258-K262 PolarHBondContact O-N 3.34Å; Y258-K262 VanDerWaalsContact O-N 3.08Å |
| 259 | S | 97.8 | Very high | 97.2 | Very high | 54 Ų | 54 | 51.5 Ų | 51.5 | 38% | 0.378 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 174.6 | -67.2 | 0 | 0 | 0 | 0 | 112.3 | T255 A256 M257 K262 | T255-S259 WeakPolarHBondContact O-CB 3.16Å; T255-S259 PolarHBondContact O-N 3.22Å; T255-S259 PolarHBondContact O-OG 2.93Å; T255-S259 VanDerWaalsContact O-OG 3.13Å; A256-S259 PolarHBondContact O-N 3.49Å; M257-S259 PolarHBondContact O-N 2.87Å; S259-K262 WeakPolarHBondContact O-CB 3.43Å; S259-K262 PolarHBondContact O-N 3.42Å |
| 260 | K | 98.2 | Very high | 97.2 | Very high | 76 Ų | 76 | 49.6 Ų | 49.6 | 33% | 0.33 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 174 | -177.4 | 65.4 | 178.6 | -179.6 | 0 | 111.2 | A256 M257 Y258 K262 T263 Y264 Y274 F275 | A256-K260 WeakPolarHBondContact O-CB 3.5Å; A256-K260 PolarHBondContact O-N 2.63Å; M257-K260 WeakPolarHBondContact O-CB 3.43Å; M257-K260 PolarHBondContact O-N 3.36Å; Y258-K260 VanDerWaalsContact C-N 3.32Å; Y258-K260 PolarHBondContact O-N 2.59Å; K260-K262 PolarHBondContact O-N 3.15Å; K260-T263 WeakPolarHBondContact O-CB 3.41Å; K260-T263 PolarHBondContact O-N 3.37Å; K260-T263 PolarHBondContact O-OG1 3.21Å; K260-Y264 WeakPolarHBondContact CE-OH 3.17Å; K260-Y264 HydrophobicContact CG-CE2 4.13Å; K260-Y274 HydrophobicContact CB-CE1 3.97Å; K260-Y274 HydrophobicContact CG-CD1 4.23Å; K260-Y274 HydrophobicContact CG-CE1 4.01Å; K260-F275 HydrophobicContact CG-CZ 4.33Å |
| 261 | L | 98.3 | Very high | 97.2 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 5% | 0.047 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.6 | -36.3 | 176.8 | -70 | 170.4 | 0 | 0 | 0 | 112.6 | Q205 L208 L212 M257 Y258 T263 Y264 F275 | Q205-L261 HydrophobicContact CB-CD2 4.05Å; L208-L261 HydrophobicContact CB-CD1 3.87Å; L208-L261 HydrophobicContact CB-CD2 3.69Å; L208-L261 HydrophobicContact CB-CG 4.46Å; L208-L261 HydrophobicContact CD1-CD2 3.88Å; L208-L261 HydrophobicContact CG-CD2 4.41Å; L212-L261 HydrophobicContact CD1-CD1 3.86Å; L212-L261 HydrophobicContact CG-CD1 4.48Å; M257-L261 WeakPolarHBondContact O-CG 3.37Å; M257-L261 PolarHBondContact O-N 2.95Å; Y258-L261 WeakPolarHBondContact O-CB 2.95Å; Y258-L261 PolarHBondContact O-N 3.29Å; L261-T263 PolarHBondContact O-N 2.7Å; L261-Y264 HydrophobicContact CD2-CD2 4.13Å; L261-Y264 HydrophobicContact CD2-CE2 4.39Å; L261-Y264 PolarHBondContact O-N 2.79Å; L261-Y264 VanDerWaalsContact O-N 3.12Å; L261-F275 HydrophobicContact CD1-CE1 4.17Å; L261-F275 HydrophobicContact CD2-CE1 3.81Å; L261-F275 HydrophobicContact CD2-CE2 4.24Å; L261-F275 HydrophobicContact CD2-CZ 3.4Å; L261-F275 VanDerWaalsContact CD2-CZ 3.4Å; L261-F275 HydrophobicContact CG-CE1 3.71Å; L261-F275 HydrophobicContact CG-CZ 3.71Å |
| 262 | K | 96.4 | Very high | 97.2 | Very high | 141 Ų | 141 | 52.5 Ų | 52.5 | 61% | 0.613 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18.5 | 174.9 | -70.2 | -175 | 68.3 | 175.1 | 0 | 114.1 | Y258 S259 K260 | Y258-K262 HydrophobicContact CD1-CD 4.12Å; Y258-K262 HydrophobicContact CD1-CG 4.26Å; Y258-K262 HydrophobicContact CE1-CD 3.79Å; Y258-K262 HydrophobicContact CE1-CG 3.98Å; Y258-K262 PolarHBondContact O-N 3.34Å; Y258-K262 VanDerWaalsContact O-N 3.08Å; S259-K262 WeakPolarHBondContact O-CB 3.43Å; S259-K262 PolarHBondContact O-N 3.42Å; K260-K262 PolarHBondContact O-N 3.15Å |
| 263 | T | 97.1 | Very high | 97.3 | Very high | 95 Ų | 95 | 53 Ų | 53 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -15.8 | 176.1 | 69.6 | 0 | 0 | 0 | 0 | 113 | K260 L261 | K260-T263 WeakPolarHBondContact O-CB 3.41Å; K260-T263 PolarHBondContact O-N 3.37Å; K260-T263 PolarHBondContact O-OG1 3.21Å; L261-T263 PolarHBondContact O-N 2.7Å |
| 264 | Y | 97.5 | Very high | 97.3 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 8% | 0.078 | 29% | 0.294 | C | S | . | . | trans | -84.2 | 151.4 | 177.6 | -62.3 | -44.6 | 0 | 0 | 0 | 111.4 | R195 Q205 K260 L261 S268 I270 D271 F275 | R195-Y264 PolarHBondContact NH1-O 3.48Å; Q205-Y264 HydrophobicContact CB-CD2 4.32Å; K260-Y264 WeakPolarHBondContact CE-OH 3.17Å; K260-Y264 HydrophobicContact CG-CE2 4.13Å; L261-Y264 HydrophobicContact CD2-CD2 4.13Å; L261-Y264 HydrophobicContact CD2-CE2 4.39Å; L261-Y264 PolarHBondContact O-N 2.79Å; L261-Y264 VanDerWaalsContact O-N 3.12Å; Y264-S268 WeakPolarHBondContact CA-OG 3.44Å; Y264-I270 HydrophobicContact CD1-CD1 4.41Å; Y264-I270 HydrophobicContact CD2-CD1 3.4Å; Y264-I270 HydrophobicContact CE2-CD1 3.79Å; Y264-I270 HydrophobicContact CE2-CG2 4.36Å; Y264-I270 HydrophobicContact CG-CD1 3.75Å; Y264-D271 PolarHBondContact OH-N 3.32Å; Y264-F275 HydrophobicContact CE2-CE2 4.11Å; Y264-F275 HydrophobicContact CE2-CZ 4.07Å | ||
| 265 | D | 94 | Very high | 97.3 | Very high | 66 Ų | 66 | 55 Ų | 55 | 35% | 0.353 | 30% | 0.295 | S | S | . | . | trans | -121.6 | -175.6 | 167.8 | 70.6 | 2.6 | 0 | 0 | 0 | 110.8 | Q205 N267 S268 | Q205-D265 PolarHBondContact OE1-O 2.72Å; D265-N267 PolarHBondContact O-N 2.9Å; D265-N267 WeakPolarHBondContact OD1-CA 3.38Å; D265-N267 PolarHBondContact OD1-N 3.37Å; D265-S268 PolarHBondContact N-OG 3.13Å; D265-S268 WeakPolarHBondContact O-CB 3.38Å; D265-S268 PolarHBondContact O-N 2.83Å; D265-S268 VanDerWaalsContact O-N 3.17Å; D265-S268 PolarHBondContact OD1-N 2.68Å; D265-S268 PolarHBondContact OD1-OG 3.35Å | ||
| 266 | Y | 94.3 | Very high | 97.4 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 8% | 0.075 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.4 | 178.6 | -178.3 | -97.6 | 0 | 0 | 0 | 113.5 | L176 R177 P179 E201 Q202 | L176-Y266 HydrophobicContact CB-CE1 4.46Å; R177-Y266 WeakPolarHBondContact O-CE1 3.35Å; R177-Y266 PolarHBondContact O-OH 3.38Å; P179-Y266 HydrophobicContact CB-CD1 4Å; P179-Y266 HydrophobicContact CB-CE1 4.2Å; P179-Y266 HydrophobicContact CB-CG 4.39Å; P179-Y266 HydrophobicContact CG-CD1 4.21Å; P179-Y266 HydrophobicContact CG-CE1 4.49Å; E201-Y266 HydrophobicContact CB-CD2 4.18Å; E201-Y266 HydrophobicContact CG-CD2 3.82Å; E201-Y266 HydrophobicContact CG-CE2 3.68Å; Q202-Y266 WeakPolarHBondContact O-CD2 3.19Å; Q202-Y266 VanDerWaalsContact O-CE2 3.3Å; Q202-Y266 WeakPolarHBondContact O-CE2 3.42Å |
| 267 | N | 94.9 | Very high | 97.4 | Very high | 100 Ų | 100 | 56.3 Ų | 56.3 | 54% | 0.535 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -8.5 | -177 | -57.2 | -59.9 | 0 | 0 | 0 | 113 | L176 D265 | L176-N267 HydrophobicContact CD1-CB 4.49Å; D265-N267 PolarHBondContact O-N 2.9Å; D265-N267 WeakPolarHBondContact OD1-CA 3.38Å; D265-N267 PolarHBondContact OD1-N 3.37Å |
| 268 | S | 95.7 | Very high | 97.4 | Very high | 37 Ų | 37 | 56.9 Ų | 56.9 | 26% | 0.259 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 137.2 | -175.2 | -65 | 0 | 0 | 0 | 0 | 111.7 | Y264 D265 | Y264-S268 WeakPolarHBondContact CA-OG 3.44Å; D265-S268 PolarHBondContact N-OG 3.13Å; D265-S268 WeakPolarHBondContact O-CB 3.38Å; D265-S268 PolarHBondContact O-N 2.83Å; D265-S268 VanDerWaalsContact O-N 3.17Å; D265-S268 PolarHBondContact OD1-N 2.68Å; D265-S268 PolarHBondContact OD1-OG 3.35Å |
| 269 | V | 95.8 | Very high | 97.4 | Very high | 134 Ų | 134 | 56.4 Ų | 56.4 | 81% | 0.812 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -81.4 | 125.1 | 167.8 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | ||
| 270 | I | 97.9 | Very high | 97.4 | Very high | 13 Ų | 13 | 56 Ų | 56 | 7% | 0.067 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -78.9 | 124.9 | 179.9 | -54.5 | -53.5 | 0 | 0 | 0 | 110.3 | P204 Q205 L208 Y264 Y272 F275 | P204-I270 HydrophobicContact CB-CG1 3.75Å; P204-I270 HydrophobicContact CG-CG1 4.48Å; Q205-I270 HydrophobicContact CB-CD1 3.96Å; L208-I270 HydrophobicContact CD1-CG2 3.76Å; Y264-I270 HydrophobicContact CD1-CD1 4.41Å; Y264-I270 HydrophobicContact CD2-CD1 3.4Å; Y264-I270 HydrophobicContact CE2-CD1 3.79Å; Y264-I270 HydrophobicContact CE2-CG2 4.36Å; Y264-I270 HydrophobicContact CG-CD1 3.75Å; I270-Y272 HydrophobicContact CB-CD2 4.15Å; I270-Y272 HydrophobicContact CB-CE1 4.48Å; I270-Y272 HydrophobicContact CB-CE2 3.7Å; I270-Y272 HydrophobicContact CG2-CD1 4.15Å; I270-Y272 HydrophobicContact CG2-CD2 4.12Å; I270-Y272 HydrophobicContact CG2-CE1 3.99Å; I270-Y272 HydrophobicContact CG2-CE2 3.97Å; I270-Y272 HydrophobicContact CG2-CG 4.19Å; I270-Y272 WeakPolarHBondContact O-CD2 3.49Å; I270-Y272 PolarHBondContact O-N 3.28Å; I270-Y272 VanDerWaalsContact O-N 3.11Å; I270-F275 HydrophobicContact CG2-CD2 4.31Å; I270-F275 HydrophobicContact CG2-CE2 3.84Å |
| 271 | D | 98.2 | Very high | 97.4 | Very high | 74 Ų | 74 | 56.5 Ų | 56.5 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | trans | -76.5 | 84.3 | 166.1 | -179.6 | -3.2 | 0 | 0 | 0 | 110.1 | Y264 D273 Y274 F275 | Y264-D271 PolarHBondContact OH-N 3.32Å; D271-D273 VanDerWaalsContact C-N 3.26Å; D271-D273 PolarHBondContact O-N 3.39Å; D271-D273 PolarHBondContact OD1-N 3.3Å; D271-Y274 PolarHBondContact O-N 3.03Å; D271-Y274 PolarHBondContact OD1-N 3.02Å; D271-Y274 WeakPolarHBondContact OD2-CB 3.31Å; D271-F275 WeakPolarHBondContact O-CD2 3.37Å; D271-F275 WeakPolarHBondContact O-CE2 3.34Å | ||
| 272 | Y | 98.7 | Very high | 97.4 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 13% | 0.129 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.5 | -31.7 | 177.5 | -69.7 | -82.5 | 0 | 0 | 0 | 112.6 | L126 Q130 H133 P204 L208 I270 Y274 F275 H276 | L126-Y272 HydrophobicContact CD1-CD1 4.44Å; Q130-Y272 HydrophobicContact CB-CD1 3.74Å; Q130-Y272 HydrophobicContact CB-CE1 3.92Å; Q130-Y272 HydrophobicContact CB-CG 4.26Å; Q130-Y272 HydrophobicContact CG-CD1 3.86Å; Q130-Y272 HydrophobicContact CG-CD2 4.14Å; Q130-Y272 HydrophobicContact CG-CE1 4.2Å; Q130-Y272 HydrophobicContact CG-CE2 4.45Å; Q130-Y272 HydrophobicContact CG-CG 3.85Å; H133-Y272 WeakPolarHBondContact CB-OH 3.33Å; H133-Y272 VanDerWaalsContact CG-OH 3.32Å; H133-Y272 AromaticContact ND1-CE1 3.8Å; H133-Y272 AromaticContact ND1-CZ 3.61Å; H133-Y272 PolarHBondContact ND1-OH 2.9Å; P204-Y272 WeakPolarHBondContact CB-OH 3.38Å; L208-Y272 HydrophobicContact CD1-CD1 4.46Å; L208-Y272 HydrophobicContact CD1-CE1 4.05Å; L208-Y272 HydrophobicContact CD2-CE1 4.46Å; I270-Y272 HydrophobicContact CB-CD2 4.15Å; I270-Y272 HydrophobicContact CB-CE1 4.48Å; I270-Y272 HydrophobicContact CB-CE2 3.7Å; I270-Y272 HydrophobicContact CG2-CD1 4.15Å; I270-Y272 HydrophobicContact CG2-CD2 4.12Å; I270-Y272 HydrophobicContact CG2-CE1 3.99Å; I270-Y272 HydrophobicContact CG2-CE2 3.97Å; I270-Y272 HydrophobicContact CG2-CG 4.19Å; I270-Y272 WeakPolarHBondContact O-CD2 3.49Å; I270-Y272 PolarHBondContact O-N 3.28Å; I270-Y272 VanDerWaalsContact O-N 3.11Å; Y272-Y274 VanDerWaalsContact C-N 3.29Å; Y272-Y274 PolarHBondContact O-N 3.18Å; Y272-F275 PolarHBondContact O-N 2.89Å; Y272-F275 VanDerWaalsContact O-N 3.09Å; Y272-H276 PolarHBondContact O-CD2 2.69Å; Y272-H276 VanDerWaalsContact O-CD2 3.3Å; Y272-H276 PolarHBondContact O-N 3.13Å |
| 273 | D | 98.6 | Very high | 97.4 | Very high | 115 Ų | 115 | 50 Ų | 50 | 62% | 0.615 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.4 | -38.3 | -179.6 | -70.4 | -26.4 | 0 | 0 | 0 | 111.3 | D271 F275 H276 C277 | D271-D273 VanDerWaalsContact C-N 3.26Å; D271-D273 PolarHBondContact O-N 3.39Å; D271-D273 PolarHBondContact OD1-N 3.3Å; D273-F275 PolarHBondContact O-N 3.39Å; D273-H276 PolarHBondContact O-N 3.11Å; D273-C277 VanDerWaalsContact O-CB 3.28Å; D273-C277 WeakPolarHBondContact O-CB 3.34Å; D273-C277 PolarHBondContact O-N 3.21Å; D273-C277 PolarHBondContact O-SG 2.93Å |
| 274 | Y | 98.7 | Very high | 97.4 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 29% | 0.286 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55.4 | -48.4 | 171.4 | 171.7 | -97 | 0 | 0 | 0 | 112.2 | M257 K260 D271 Y272 C277 C278 | M257-Y274 HydrophobicContact CG-CE1 4.1Å; K260-Y274 HydrophobicContact CB-CE1 3.97Å; K260-Y274 HydrophobicContact CG-CD1 4.23Å; K260-Y274 HydrophobicContact CG-CE1 4.01Å; D271-Y274 PolarHBondContact O-N 3.03Å; D271-Y274 PolarHBondContact OD1-N 3.02Å; D271-Y274 WeakPolarHBondContact OD2-CB 3.31Å; Y272-Y274 VanDerWaalsContact C-N 3.29Å; Y272-Y274 PolarHBondContact O-N 3.18Å; Y274-C277 PolarHBondContact O-N 3.14Å; Y274-C278 PolarHBondContact O-N 3.1Å; Y274-C278 PolarHBondContact O-SG 3.2Å; Y274-C278 VanDerWaalsContact O-SG 3.37Å |
| 275 | F | 98.7 | Very high | 97.4 | Very high | 5 Ų | 5 | 59.6 Ų | 59.6 | 2% | 0.022 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.4 | -43 | -179 | -62.4 | -84 | 0 | 0 | 0 | 111.4 | L126 L208 M257 K260 L261 Y264 I270 D271 Y272 D273 C277 C278 F279 | L126-F275 HydrophobicContact CD1-CB 4.14Å; L126-F275 HydrophobicContact CD2-CB 3.71Å; L208-F275 HydrophobicContact CD1-CD2 4.27Å; L208-F275 HydrophobicContact CD1-CE2 4.17Å; L208-F275 HydrophobicContact CD1-CZ 4.45Å; M257-F275 HydrophobicContact CB-CD1 3.88Å; M257-F275 HydrophobicContact CB-CE1 3.84Å; M257-F275 HydrophobicContact CG-CD1 3.66Å; M257-F275 HydrophobicContact CG-CE1 4.07Å; M257-F275 HydrophobicContact SD-CB 4.35Å; M257-F275 HydrophobicContact SD-CD1 3.74Å; K260-F275 HydrophobicContact CG-CZ 4.33Å; L261-F275 HydrophobicContact CD1-CE1 4.17Å; L261-F275 HydrophobicContact CD2-CE1 3.81Å; L261-F275 HydrophobicContact CD2-CE2 4.24Å; L261-F275 HydrophobicContact CD2-CZ 3.4Å; L261-F275 VanDerWaalsContact CD2-CZ 3.4Å; L261-F275 HydrophobicContact CG-CE1 3.71Å; L261-F275 HydrophobicContact CG-CZ 3.71Å; Y264-F275 HydrophobicContact CE2-CE2 4.11Å; Y264-F275 HydrophobicContact CE2-CZ 4.07Å; I270-F275 HydrophobicContact CG2-CD2 4.31Å; I270-F275 HydrophobicContact CG2-CE2 3.84Å; D271-F275 WeakPolarHBondContact O-CD2 3.37Å; D271-F275 WeakPolarHBondContact O-CE2 3.34Å; Y272-F275 PolarHBondContact O-N 2.89Å; Y272-F275 VanDerWaalsContact O-N 3.09Å; D273-F275 PolarHBondContact O-N 3.39Å; F275-C277 VanDerWaalsContact C-N 3.34Å; F275-C277 PolarHBondContact O-N 3.38Å; F275-C278 WeakPolarHBondContact O-CB 3.43Å; F275-C278 PolarHBondContact O-N 3.14Å; F275-C278 VanDerWaalsContact O-N 3.17Å; F275-F279 WeakPolarHBondContact O-CD2 3.34Å; F275-F279 PolarHBondContact O-N 2.95Å |
| 276 | H | 98.6 | Very high | 97.5 | Very high | 35 Ų | 35 | 59.8 Ų | 59.8 | 16% | 0.162 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.8 | -44 | 174.1 | -80 | -66.2 | 0 | 0 | 0 | 112 | Q127 Q130 Y272 D273 C278 F279 A280 | Q127-H276 PolarHBondContact OE1-CE1 3.18Å; Q130-H276 PolarHBondContact OE1-CD2 3.42Å; Q130-H276 PolarHBondContact OE1-NE2 3.29Å; Y272-H276 PolarHBondContact O-CD2 2.69Å; Y272-H276 VanDerWaalsContact O-CD2 3.3Å; Y272-H276 PolarHBondContact O-N 3.13Å; D273-H276 PolarHBondContact O-N 3.11Å; H276-C278 VanDerWaalsContact C-N 3.32Å; H276-C278 PolarHBondContact O-N 2.76Å; H276-F279 PolarHBondContact O-N 2.81Å; H276-A280 WeakPolarHBondContact O-CB 3.49Å; H276-A280 PolarHBondContact O-N 3.04Å |
| 277 | C | 98.5 | Very high | 97.6 | Very high | 71 Ų | 71 | 66.3 Ų | 66.3 | 48% | 0.48 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.8 | -41 | 174.6 | -73.5 | 0 | 0 | 0 | 0 | 111.7 | D273 Y274 F275 A280 N281 | D273-C277 VanDerWaalsContact O-CB 3.28Å; D273-C277 WeakPolarHBondContact O-CB 3.34Å; D273-C277 PolarHBondContact O-N 3.21Å; D273-C277 PolarHBondContact O-SG 2.93Å; Y274-C277 PolarHBondContact O-N 3.14Å; F275-C277 VanDerWaalsContact C-N 3.34Å; F275-C277 PolarHBondContact O-N 3.38Å; C277-A280 PolarHBondContact O-N 3.29Å; C277-N281 VanDerWaalsContact O-CB 3.26Å; C277-N281 WeakPolarHBondContact O-CB 3.34Å; C277-N281 PolarHBondContact O-N 2.85Å; C277-N281 PolarHBondContact O-ND2 3.03Å; C277-N281 VanDerWaalsContact O-ND2 3.1Å |
| 278 | C | 98.6 | Very high | 97.7 | Very high | 12 Ų | 12 | 62.1 Ų | 62.1 | 8% | 0.081 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 173.9 | -75.3 | 0 | 0 | 0 | 0 | 111.6 | Q253 M257 Y274 F275 H276 N281 M282 | Q253-C278 HydrophobicContact CB-CB 4.34Å; M257-C278 HydrophobicContact CE-CB 4.47Å; M257-C278 HydrophobicContact CG-CB 3.8Å; M257-C278 HydrophobicContact SD-CB 3.51Å; M257-C278 VanDerWaalsContact SD-CB 3.51Å; Y274-C278 PolarHBondContact O-N 3.1Å; Y274-C278 PolarHBondContact O-SG 3.2Å; Y274-C278 VanDerWaalsContact O-SG 3.37Å; F275-C278 WeakPolarHBondContact O-CB 3.43Å; F275-C278 PolarHBondContact O-N 3.14Å; F275-C278 VanDerWaalsContact O-N 3.17Å; H276-C278 VanDerWaalsContact C-N 3.32Å; H276-C278 PolarHBondContact O-N 2.76Å; C278-N281 PolarHBondContact O-N 3.1Å; C278-M282 WeakPolarHBondContact O-CB 3.02Å; C278-M282 VanDerWaalsContact O-CG 3.26Å; C278-M282 WeakPolarHBondContact O-CG 3.46Å; C278-M282 PolarHBondContact O-N 2.63Å |
| 279 | F | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 65.1 Ų | 65.1 | 1% | 0.009 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.4 | -48.4 | 176.3 | -86.9 | -80.8 | 0 | 0 | 0 | 112.5 | L119 K123 L126 M215 M257 F275 H276 N281 M282 L283 | L119-F279 HydrophobicContact CD2-CD1 4.47Å; L119-F279 HydrophobicContact CD2-CE1 4.27Å; L119-F279 WeakPolarHBondContact O-CD1 3.43Å; L119-F279 WeakPolarHBondContact O-CE1 3.43Å; K123-F279 HydrophobicContact CB-CB 4.32Å; K123-F279 HydrophobicContact CB-CD1 4Å; K123-F279 HydrophobicContact CB-CG 4.21Å; K123-F279 HydrophobicContact CG-CB 4.41Å; L126-F279 HydrophobicContact CB-CE2 4.35Å; L126-F279 HydrophobicContact CD2-CD2 3.68Å; L126-F279 HydrophobicContact CD2-CE2 3.91Å; M215-F279 HydrophobicContact CE-CE1 3.69Å; M215-F279 HydrophobicContact CE-CZ 3.8Å; M215-F279 HydrophobicContact SD-CE1 4.09Å; M215-F279 HydrophobicContact SD-CZ 3.65Å; M257-F279 HydrophobicContact CE-CE2 4.21Å; M257-F279 HydrophobicContact SD-CD2 4.3Å; M257-F279 HydrophobicContact SD-CE2 4.16Å; F275-F279 WeakPolarHBondContact O-CD2 3.34Å; F275-F279 PolarHBondContact O-N 2.95Å; H276-F279 PolarHBondContact O-N 2.81Å; F279-N281 VanDerWaalsContact C-N 3.33Å; F279-N281 PolarHBondContact O-N 3.05Å; F279-M282 HydrophobicContact CD1-CE 4.08Å; F279-M282 HydrophobicContact CE1-CE 4.42Å; F279-M282 HydrophobicContact CG-CE 4.22Å; F279-M282 PolarHBondContact O-N 3.14Å; F279-L283 WeakPolarHBondContact O-CG 3.28Å; F279-L283 PolarHBondContact O-N 2.95Å |
| 280 | A | 97.8 | Very high | 97.4 | Very high | 47 Ų | 47 | 64.7 Ų | 64.7 | 39% | 0.388 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.8 | -45.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H276 C277 L283 K284 | H276-A280 WeakPolarHBondContact O-CB 3.49Å; H276-A280 PolarHBondContact O-N 3.04Å; C277-A280 PolarHBondContact O-N 3.29Å; A280-L283 PolarHBondContact O-N 3.27Å; A280-K284 VanDerWaalsContact O-CB 3.31Å; A280-K284 WeakPolarHBondContact O-CB 3.39Å; A280-K284 PolarHBondContact O-N 3.41Å |
| 281 | N | 97.8 | Very high | 97.2 | Very high | 85 Ų | 85 | 70.8 Ų | 70.8 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 178.1 | -74.7 | -32.5 | 0 | 0 | 0 | 112.7 | C277 C278 F279 K285 | C277-N281 VanDerWaalsContact O-CB 3.26Å; C277-N281 WeakPolarHBondContact O-CB 3.34Å; C277-N281 PolarHBondContact O-N 2.85Å; C277-N281 PolarHBondContact O-ND2 3.03Å; C277-N281 VanDerWaalsContact O-ND2 3.1Å; C278-N281 PolarHBondContact O-N 3.1Å; F279-N281 VanDerWaalsContact C-N 3.33Å; F279-N281 PolarHBondContact O-N 3.05Å; N281-K285 WeakPolarHBondContact O-CB 3.42Å; N281-K285 WeakPolarHBondContact O-CG 3.48Å; N281-K285 PolarHBondContact O-N 3.36Å; N281-K285 VanDerWaalsContact O-N 3.09Å |
| 282 | M | 98.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.005 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 175.5 | -73.7 | -172.4 | -69 | 0 | 0 | 111.6 | L119 P251 Q253 V254 M257 C278 F279 K285 L286 | L119-M282 HydrophobicContact CD1-CB 4.01Å; L119-M282 HydrophobicContact CD2-CE 3.83Å; L119-M282 HydrophobicContact CD2-SD 3.99Å; P251-M282 HydrophobicContact CB-CG 3.81Å; P251-M282 HydrophobicContact CB-SD 3.79Å; P251-M282 HydrophobicContact CG-CB 4.29Å; P251-M282 HydrophobicContact CG-CG 3.92Å; P251-M282 HydrophobicContact CG-SD 3.81Å; Q253-M282 HydrophobicContact CB-CE 4.49Å; Q253-M282 HydrophobicContact CB-CG 3.83Å; Q253-M282 HydrophobicContact CB-SD 3.79Å; Q253-M282 HydrophobicContact CG-CG 4.09Å; V254-M282 HydrophobicContact CG2-CE 4.03Å; V254-M282 HydrophobicContact CG2-SD 3.62Å; M257-M282 HydrophobicContact CE-CE 3.68Å; C278-M282 WeakPolarHBondContact O-CB 3.02Å; C278-M282 VanDerWaalsContact O-CG 3.26Å; C278-M282 WeakPolarHBondContact O-CG 3.46Å; C278-M282 PolarHBondContact O-N 2.63Å; F279-M282 HydrophobicContact CD1-CE 4.08Å; F279-M282 HydrophobicContact CE1-CE 4.42Å; F279-M282 HydrophobicContact CG-CE 4.22Å; F279-M282 PolarHBondContact O-N 3.14Å; M282-K285 PolarHBondContact O-N 3.3Å; M282-L286 WeakPolarHBondContact O-CB 3.46Å; M282-L286 PolarHBondContact O-N 2.98Å |
| 283 | L | 97.9 | Very high | 96.9 | Very high | 12 Ų | 12 | 72.2 Ų | 72.2 | 6% | 0.063 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 179.1 | -71.1 | 169.6 | 0 | 0 | 0 | 111.8 | L119 R120 K123 F279 A280 K285 L286 H287 A288 | L119-L283 HydrophobicContact CB-CD2 3.66Å; L119-L283 HydrophobicContact CB-CG 4.32Å; L119-L283 HydrophobicContact CD1-CD2 4.47Å; R120-L283 HydrophobicContact CG-CD1 4.41Å; R120-L283 HydrophobicContact CG-CD2 3.65Å; K123-L283 HydrophobicContact CD-CD1 3.94Å; F279-L283 WeakPolarHBondContact O-CG 3.28Å; F279-L283 PolarHBondContact O-N 2.95Å; A280-L283 PolarHBondContact O-N 3.27Å; L283-K285 PolarHBondContact O-N 3.49Å; L283-L286 CarbonylContact O-C 3.53Å; L283-L286 PolarHBondContact O-N 3.37Å; L283-H287 PolarHBondContact O-N 2.9Å; L283-H287 VanDerWaalsContact O-N 3.09Å; L283-A288 HydrophobicContact CD2-CB 3.85Å; L283-A288 PolarHBondContact O-N 2.75Å |
| 284 | K | 97.1 | Very high | 96.8 | Very high | 165 Ų | 165 | 67 Ų | 67 | 72% | 0.717 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.9 | -45.4 | 175.4 | -177 | 176.6 | 179.6 | 177.7 | 0 | 112 | A280 L286 H287 | A280-K284 VanDerWaalsContact O-CB 3.31Å; A280-K284 WeakPolarHBondContact O-CB 3.39Å; A280-K284 PolarHBondContact O-N 3.41Å; K284-L286 VanDerWaalsContact C-N 3.3Å; K284-L286 PolarHBondContact O-N 2.93Å; K284-H287 PolarHBondContact O-N 3.35Å |
| 285 | K | 96.7 | Very high | 96.6 | Very high | 153 Ų | 153 | 65.6 Ų | 65.6 | 67% | 0.665 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -67.4 | -30.2 | 177.6 | -76.2 | -177.8 | 178.2 | -174.3 | 0 | 113 | N281 M282 L283 H287 | N281-K285 WeakPolarHBondContact O-CB 3.42Å; N281-K285 WeakPolarHBondContact O-CG 3.48Å; N281-K285 PolarHBondContact O-N 3.36Å; N281-K285 VanDerWaalsContact O-N 3.09Å; M282-K285 PolarHBondContact O-N 3.3Å; L283-K285 PolarHBondContact O-N 3.49Å; K285-H287 VanDerWaalsContact C-N 3.26Å |
| 286 | L | 96.4 | Very high | 96.3 | Very high | 70 Ų | 70 | 68.5 Ų | 68.5 | 37% | 0.366 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -80.4 | -7.6 | 176.4 | -169.7 | 60.3 | 0 | 0 | 0 | 112.7 | L115 L119 M282 L283 K284 A288 | L115-L286 HydrophobicContact CB-CD2 4.33Å; L115-L286 HydrophobicContact CD2-CD1 4.29Å; L115-L286 HydrophobicContact CD2-CD2 4.12Å; L115-L286 HydrophobicContact CG-CD2 3.98Å; L119-L286 HydrophobicContact CD1-CD2 4.12Å; M282-L286 WeakPolarHBondContact O-CB 3.46Å; M282-L286 PolarHBondContact O-N 2.98Å; L283-L286 CarbonylContact O-C 3.53Å; L283-L286 PolarHBondContact O-N 3.37Å; K284-L286 VanDerWaalsContact C-N 3.3Å; K284-L286 PolarHBondContact O-N 2.93Å; L286-A288 HydrophobicContact CB-CB 4.23Å; L286-A288 HydrophobicContact CD2-CB 4.1Å; L286-A288 HydrophobicContact CG-CB 4.18Å; L286-A288 PolarHBondContact O-N 3.49Å |
| 287 | H | 96.6 | Very high | 96 | Very high | 156 Ų | 156 | 72.3 Ų | 72.3 | 72% | 0.722 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 31.4 | -168.6 | -56 | -79.9 | 0 | 0 | 0 | 112.9 | L283 K284 K285 | L283-H287 PolarHBondContact O-N 2.9Å; L283-H287 VanDerWaalsContact O-N 3.09Å; K284-H287 PolarHBondContact O-N 3.35Å; K285-H287 VanDerWaalsContact C-N 3.26Å |
| 288 | A | 95.9 | Very high | 95.9 | Very high | 12 Ų | 12 | 72.4 Ų | 72.4 | 10% | 0.099 | 37% | 0.365 | C | S | . | . | trans | -88.7 | 114.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | S116 L283 L286 D292 | S116-A288 WeakPolarHBondContact OG-CB 3.34Å; L283-A288 HydrophobicContact CD2-CB 3.85Å; L283-A288 PolarHBondContact O-N 2.75Å; L286-A288 HydrophobicContact CB-CB 4.23Å; L286-A288 HydrophobicContact CD2-CB 4.1Å; L286-A288 HydrophobicContact CG-CB 4.18Å; L286-A288 PolarHBondContact O-N 3.49Å; A288-D292 WeakPolarHBondContact CA-OD2 3.33Å | ||
| 289 | N | 94.8 | Very high | 95.8 | Very high | 100 Ų | 100 | 75.5 Ų | 75.5 | 54% | 0.535 | 38% | 0.379 | S | S | . | . | trans | -89.6 | 155.7 | -179.9 | -52.4 | -66.4 | 0 | 0 | 0 | 111.3 | R120 D291 D292 | R120-N289 VanDerWaalsContact CD-O 3.28Å; R120-N289 WeakPolarHBondContact CD-O 3.41Å; N289-D291 PolarHBondContact O-N 3.39Å; N289-D292 WeakPolarHBondContact CB-OD1 3.29Å; N289-D292 PolarHBondContact N-OD2 3.21Å; N289-D292 PolarHBondContact ND2-OD1 3.33Å; N289-D292 PolarHBondContact O-N 2.92Å | ||
| 290 | E | 90.5 | Very high | 95.6 | Very high | 125 Ų | 125 | 79.6 Ų | 79.6 | 58% | 0.584 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -27.5 | 176.9 | -62.8 | -162.4 | 159.6 | 0 | 0 | 112.4 | K123 R156 | K123-E290 IonicContact NZ-OE1 3.43Å; K123-E290 PolarHBondContact NZ-OE1 3.25Å; R156-E290 PolarHBondContact NH2-O 2.94Å |
| 291 | D | 93.5 | Very high | 95.5 | Very high | 140 Ų | 140 | 81.5 Ų | 81.5 | 75% | 0.749 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -9.2 | -177.9 | -59.9 | -37.5 | 0 | 0 | 0 | 114 | R156 N289 | R156-D291 PolarHBondContact NH1-O 2.88Å; R156-D291 PolarHBondContact NH2-O 3.39Å; N289-D291 PolarHBondContact O-N 3.39Å |
| 292 | D | 96.1 | Very high | 95.4 | Very high | 47 Ų | 47 | 81.3 Ų | 81.3 | 25% | 0.251 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -55.9 | 140.2 | 175.5 | -67.7 | -14.2 | 0 | 0 | 0 | 110.2 | R120 R156 A288 N289 F294 | R120-D292 PolarHBondContact NH1-O 3.42Å; R156-D292 PolarHBondContact NH2-O 2.93Å; A288-D292 WeakPolarHBondContact CA-OD2 3.33Å; N289-D292 WeakPolarHBondContact CB-OD1 3.29Å; N289-D292 PolarHBondContact N-OD2 3.21Å; N289-D292 PolarHBondContact ND2-OD1 3.33Å; N289-D292 PolarHBondContact O-N 2.92Å; D292-F294 PolarHBondContact O-N 3.49Å |
| 293 | P | 96.1 | Very high | 95.2 | Very high | 91 Ų | 91 | 86.7 Ų | 86.7 | 59% | 0.591 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 141.1 | 178.6 | 24.2 | -32.9 | 0 | 0 | 0 | 110.9 | R120 E297 | R120-P293 PolarHBondContact NH2-O 3.47Å; P293-E297 WeakPolarHBondContact CA-OE2 3.17Å; P293-E297 HydrophobicContact CB-CB 4.4Å |
| 294 | F | 96.2 | Very high | 95 | Very high | 6 Ų | 6 | 92 Ų | 92 | 3% | 0.026 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 158.8 | 162.7 | -71.6 | -76.5 | 0 | 0 | 0 | 109.9 | T117 R120 L121 R156 D292 W296 E297 | T117-F294 HydrophobicContact CG2-CD1 3.83Å; T117-F294 HydrophobicContact CG2-CE1 4.43Å; R120-F294 HydrophobicContact CB-CE1 3.91Å; R120-F294 HydrophobicContact CB-CZ 4.16Å; R120-F294 VanDerWaalsContact NH1-CE1 3.35Å; L121-F294 HydrophobicContact CD2-CE1 4.25Å; L121-F294 HydrophobicContact CG-CE1 4.14Å; R156-F294 HydrophobicContact CB-CD2 4.44Å; R156-F294 HydrophobicContact CB-CE2 4.02Å; R156-F294 HydrophobicContact CG-CD2 4.22Å; R156-F294 HydrophobicContact CG-CE2 4.25Å; D292-F294 PolarHBondContact O-N 3.49Å; F294-W296 HydrophobicContact CB-CD2 3.69Å; F294-W296 HydrophobicContact CB-CE3 3.91Å; F294-W296 HydrophobicContact CB-CG 4.41Å; F294-W296 HydrophobicContact CB-CH2 3.58Å; F294-W296 HydrophobicContact CB-CZ2 3.33Å; F294-W296 HydrophobicContact CB-CZ3 3.87Å; F294-W296 AromaticContact CD1-CH2 3.28Å; F294-W296 HydrophobicContact CD1-CH2 3.28Å; F294-W296 AromaticContact CD1-CZ2 3.64Å; F294-W296 HydrophobicContact CD1-CZ2 3.64Å; F294-W296 AromaticContact CD1-CZ3 3.97Å; F294-W296 HydrophobicContact CD1-CZ3 3.97Å; F294-W296 HydrophobicContact CD2-CH2 4.2Å; F294-W296 AromaticContact CD2-CZ2 3.65Å; F294-W296 HydrophobicContact CD2-CZ2 3.65Å; F294-W296 AromaticContact CE1-CH2 3.94Å; F294-W296 HydrophobicContact CE1-CH2 3.94Å; F294-W296 HydrophobicContact CE1-CZ2 4.3Å; F294-W296 HydrophobicContact CE2-CZ2 4.31Å; F294-W296 AromaticContact CG-CE2 3.84Å; F294-W296 AromaticContact CG-CH2 3.43Å; F294-W296 HydrophobicContact CG-CH2 3.43Å; F294-W296 VanDerWaalsContact CG-CH2 3.43Å; F294-W296 AromaticContact CG-CZ2 3.25Å; F294-W296 HydrophobicContact CG-CZ2 3.25Å; F294-W296 HydrophobicContact CG-CZ3 4.16Å; F294-W296 PolarHBondContact O-N 2.99Å; F294-E297 HydrophobicContact CB-CG 4.46Å; F294-E297 PolarHBondContact N-OE2 3.35Å; F294-E297 PolarHBondContact O-N 2.96Å |
| 295 | E | 94 | Very high | 94.8 | Very high | 42 Ų | 42 | 86.4 Ų | 86.4 | 20% | 0.196 | 43% | 0.429 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 1.7 | -175 | -79.1 | 168.7 | 99.8 | 0 | 0 | 116.3 | R108 F113 S114 T117 | R108-E295 IonicContact CZ-OE1 3.62Å; R108-E295 IonicContact NE-OE1 2.87Å; R108-E295 PolarHBondContact NH1-O 2.88Å; R108-E295 IonicContact NH2-OE1 3.83Å; F113-E295 WeakPolarHBondContact CA-OE2 3.46Å; F113-E295 VanDerWaalsContact CB-OE2 3.23Å; F113-E295 WeakPolarHBondContact CB-OE2 3.44Å; F113-E295 HydrophobicContact CD1-CB 4.2Å; F113-E295 WeakPolarHBondContact CD1-OE2 3.48Å; S114-E295 PolarHBondContact N-OE1 3.16Å; S114-E295 PolarHBondContact N-OE2 2.96Å; S114-E295 PolarHBondContact OG-OE2 3.12Å; T117-E295 VanDerWaalsContact CB-OE2 3.29Å; T117-E295 WeakPolarHBondContact CB-OE2 3.43Å; T117-E295 PolarHBondContact OG1-OE2 2.67Å |
| 296 | W | 92.8 | Very high | 94.6 | Very high | 66 Ų | 66 | 80.8 Ų | 80.8 | 25% | 0.25 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -4.7 | 173.7 | 59.2 | 76.9 | 0 | 0 | 0 | 113.2 | V104 F113 T117 L121 L149 F294 | V104-W296 HydrophobicContact CG1-CB 3.71Å; V104-W296 HydrophobicContact CG1-CD2 3.82Å; V104-W296 HydrophobicContact CG1-CE3 3.46Å; V104-W296 VanDerWaalsContact CG1-CE3 3.46Å; V104-W296 HydrophobicContact CG1-CG 3.96Å; V104-W296 HydrophobicContact CG1-CZ3 4.34Å; F113-W296 AromaticContact CE1-CE3 3.88Å; F113-W296 HydrophobicContact CE1-CE3 3.88Å; F113-W296 AromaticContact CE1-CZ3 3.9Å; F113-W296 HydrophobicContact CE1-CZ3 3.9Å; F113-W296 HydrophobicContact CZ-CE3 4.14Å; F113-W296 AromaticContact CZ-CZ3 3.92Å; F113-W296 HydrophobicContact CZ-CZ3 3.92Å; T117-W296 HydrophobicContact CG2-CH2 4.3Å; T117-W296 HydrophobicContact CG2-CZ3 3.82Å; L121-W296 HydrophobicContact CD1-CH2 3.96Å; L121-W296 HydrophobicContact CD1-CZ3 4.05Å; L121-W296 HydrophobicContact CD2-CH2 3.83Å; L121-W296 HydrophobicContact CG-CH2 4.16Å; L149-W296 HydrophobicContact CD1-CD2 3.84Å; L149-W296 HydrophobicContact CD1-CE3 4.4Å; L149-W296 HydrophobicContact CD1-CG 4.32Å; L149-W296 HydrophobicContact CD1-CH2 4.17Å; L149-W296 HydrophobicContact CD1-CZ2 3.56Å; L149-W296 HydrophobicContact CD2-CH2 4.02Å; L149-W296 HydrophobicContact CD2-CZ2 3.68Å; L149-W296 HydrophobicContact CG-CZ2 4.29Å; F294-W296 HydrophobicContact CB-CD2 3.69Å; F294-W296 HydrophobicContact CB-CE3 3.91Å; F294-W296 HydrophobicContact CB-CG 4.41Å; F294-W296 HydrophobicContact CB-CH2 3.58Å; F294-W296 HydrophobicContact CB-CZ2 3.33Å; F294-W296 HydrophobicContact CB-CZ3 3.87Å; F294-W296 AromaticContact CD1-CH2 3.28Å; F294-W296 HydrophobicContact CD1-CH2 3.28Å; F294-W296 AromaticContact CD1-CZ2 3.64Å; F294-W296 HydrophobicContact CD1-CZ2 3.64Å; F294-W296 AromaticContact CD1-CZ3 3.97Å; F294-W296 HydrophobicContact CD1-CZ3 3.97Å; F294-W296 HydrophobicContact CD2-CH2 4.2Å; F294-W296 AromaticContact CD2-CZ2 3.65Å; F294-W296 HydrophobicContact CD2-CZ2 3.65Å; F294-W296 AromaticContact CE1-CH2 3.94Å; F294-W296 HydrophobicContact CE1-CH2 3.94Å; F294-W296 HydrophobicContact CE1-CZ2 4.3Å; F294-W296 HydrophobicContact CE2-CZ2 4.31Å; F294-W296 AromaticContact CG-CE2 3.84Å; F294-W296 AromaticContact CG-CH2 3.43Å; F294-W296 HydrophobicContact CG-CH2 3.43Å; F294-W296 VanDerWaalsContact CG-CH2 3.43Å; F294-W296 AromaticContact CG-CZ2 3.25Å; F294-W296 HydrophobicContact CG-CZ2 3.25Å; F294-W296 HydrophobicContact CG-CZ3 4.16Å; F294-W296 PolarHBondContact O-N 2.99Å |
| 297 | E | 92.9 | Very high | 94.5 | Very high | 115 Ų | 115 | 81.8 Ų | 81.8 | 54% | 0.537 | 41% | 0.413 | S | S | . | . | trans | -86.4 | 0 | 168.9 | -65.4 | 175.6 | 118.6 | 0 | 0 | 109.3 | H155 R156 P293 F294 | H155-E297 IonicContact CD2-OE1 3.72Å; H155-E297 PolarHBondContact CD2-OE1 2.96Å; H155-E297 IonicContact CE1-OE1 3.58Å; H155-E297 IonicContact NE2-OE1 3.76Å; H155-E297 PolarHBondContact NE2-OE1 3.23Å; R156-E297 WeakPolarHBondContact CD-OE1 3.42Å; R156-E297 WeakPolarHBondContact CG-OE1 3.48Å; R156-E297 IonicContact CZ-OE1 2.71Å; R156-E297 IonicContact CZ-OE2 3.5Å; R156-E297 IonicContact NE-OE1 3.68Å; R156-E297 VanDerWaalsContact NH1-CD 3.34Å; R156-E297 IonicContact NH1-OE1 2.61Å; R156-E297 PolarHBondContact NH1-OE1 3.27Å; R156-E297 IonicContact NH1-OE2 3.82Å; R156-E297 PolarHBondContact NH1-OE2 3.2Å; P293-E297 WeakPolarHBondContact CA-OE2 3.17Å; P293-E297 HydrophobicContact CB-CB 4.4Å; F294-E297 HydrophobicContact CB-CG 4.46Å; F294-E297 PolarHBondContact N-OE2 3.35Å; F294-E297 PolarHBondContact O-N 2.96Å |
Retrieved 297 of 297 residues in 66.2 ms
(Link to these results)