| 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 | 49.6 | Very low | 87.6 | Confident | 244 Ų | 244 | 59.5 Ų | 59.5 | 100% | 1.202 | 33% | 0.328 | S | S | * | . | 0 | 135.2 | 0 | -69.8 | 176 | -137.1 | 0 | 0 | 106.9 | A3 | M1-A3 PolarHBondContact O-N 3.33Š| |||
| 2 | A | 57.8 | Low | 88.5 | Confident | 99 Ų | 99 | 54.5 Ų | 54.5 | 82% | 0.818 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 133.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 3 | A | 76.6 | Confident | 89.2 | Confident | 70 Ų | 70 | 52.2 Ų | 52.2 | 58% | 0.579 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 137.3 | 175 | 0 | 0 | 0 | 0 | 0 | 109.9 | M1 R5 | M1-A3 PolarHBondContact O-N 3.33Å; A3-R5 PolarHBondContact O-N 3.33Å |
| 4 | I | 93.8 | Very high | 89.7 | Confident | 59 Ų | 59 | 50.6 Ų | 50.6 | 30% | 0.303 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 117.9 | 175.6 | -61.2 | 173.3 | 0 | 0 | 0 | 106.5 | K6 K51 V53 E54 L179 | I4-K6 HydrophobicContact CG2-CG 4.32Å; I4-K51 HydrophobicContact CD1-CB 4.36Å; I4-K51 HydrophobicContact CD1-CD 4.18Å; I4-V53 HydrophobicContact CB-CG2 4.31Å; I4-V53 HydrophobicContact CG2-CG1 4.48Å; I4-V53 HydrophobicContact CG2-CG2 4.44Å; I4-V53 CarbonylContact O-C 3.56Å; I4-V53 VanDerWaalsContact O-CA 3.23Å; I4-V53 WeakPolarHBondContact O-CA 3.38Å; I4-V53 WeakPolarHBondContact O-CG1 3.35Å; I4-E54 PolarHBondContact O-N 3.36Å; I4-L179 HydrophobicContact CD1-CD2 4.31Å; I4-L179 HydrophobicContact CG2-CD2 3.92Å |
| 5 | R | 95.9 | Very high | 90 | Very high | 156 Ų | 156 | 50.9 Ų | 50.9 | 59% | 0.589 | 30% | 0.3 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 138.4 | 176.3 | -164.8 | 174.2 | -167.1 | -164.4 | -4.4 | 111 | A3 E54 | A3-R5 PolarHBondContact O-N 3.33Å; R5-E54 CarbonylContact C-O 3.58Å; R5-E54 WeakPolarHBondContact CA-O 3.49Å; R5-E54 VanDerWaalsContact CD-OE1 3.27Å; R5-E54 WeakPolarHBondContact CD-OE1 3.36Å; R5-E54 HydrophobicContact CG-CB 4.45Å; R5-E54 IonicContact CZ-OE1 3.95Å; R5-E54 IonicContact NE-OE1 3.32Å; R5-E54 PolarHBondContact NE-OE1 2.85Å; R5-E54 IonicContact NH2-OE1 3.59Å |
| 6 | K | 97.2 | Very high | 90.5 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 1% | 0.013 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 135.7 | 179.3 | -72.1 | -61.7 | -173.4 | 164.3 | 0 | 111.8 | I4 V53 E54 L55 A56 D78 A178 | I4-K6 HydrophobicContact CG2-CG 4.32Å; K6-V53 HydrophobicContact CB-CG1 3.94Å; K6-V53 HydrophobicContact CG-CG1 3.73Å; K6-E54 PolarHBondContact N-O 3.02Å; K6-L55 HydrophobicContact CB-CD2 3.87Å; K6-L55 CarbonylContact O-C 3.48Å; K6-L55 WeakPolarHBondContact O-CA 3.44Å; K6-A56 PolarHBondContact O-N 3.28Å; K6-D78 WeakPolarHBondContact CA-OD2 3.38Å; K6-D78 HydrophobicContact CD-CB 3.73Å; K6-D78 WeakPolarHBondContact CD-OD1 3.43Å; K6-D78 WeakPolarHBondContact CD-OD2 3.4Å; K6-D78 IonicContact NZ-OD1 2.73Å; K6-D78 PolarHBondContact NZ-OD1 3.3Å; K6-A178 HydrophobicContact CD-CB 4.05Å; K6-A178 WeakPolarHBondContact CE-O 3.36Å; K6-A178 HydrophobicContact CG-CB 4.26Å; K6-A178 PolarHBondContact NZ-O 2.91Å |
| 7 | K | 97.8 | Very high | 90.9 | Very high | 23 Ų | 23 | 46 Ų | 46 | 10% | 0.1 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 123.9 | 175.4 | 177.2 | 169.7 | 170.7 | 171.5 | 0 | 110.7 | V9 W58 S73 P75 D78 V79 | K7-V9 HydrophobicContact CG-CG2 4.44Å; K7-W58 HydrophobicContact CD-CD2 4.35Å; K7-W58 HydrophobicContact CD-CG 4.48Å; K7-W58 HydrophobicContact CD-CZ2 4.43Å; K7-W58 VanDerWaalsContact CE-CD2 3.41Å; K7-W58 VanDerWaalsContact CE-CE2 3.43Å; K7-W58 HydrophobicContact CG-CG 4.4Å; K7-S73 WeakPolarHBondContact CE-O 3.32Å; K7-S73 PolarHBondContact NZ-O 3.3Å; K7-P75 WeakPolarHBondContact CE-O 3.48Å; K7-P75 PolarHBondContact NZ-O 3.38Å; K7-D78 PolarHBondContact N-OD2 2.8Å; K7-D78 WeakPolarHBondContact O-CB 3.36Å; K7-D78 PolarHBondContact O-N 3.47Å; K7-V79 PolarHBondContact O-N 2.99Å |
| 8 | L | 98.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.7 | 174.5 | 179.4 | 158 | 0 | 0 | 0 | 108.7 | L22 A56 L57 W58 V79 L81 F171 A174 | L8-L22 HydrophobicContact CD2-CD2 4.32Å; L8-A56 PolarHBondContact N-O 3.42Å; L8-L57 HydrophobicContact CB-CD2 4.17Å; L8-L57 HydrophobicContact CD1-CD2 4.3Å; L8-L57 HydrophobicContact CD2-CD2 4.14Å; L8-L57 HydrophobicContact CG-CD2 4.45Å; L8-W58 PolarHBondContact O-N 3.36Å; L8-V79 WeakPolarHBondContact CA-O 3.43Å; L8-V79 HydrophobicContact CB-CG1 3.88Å; L8-V79 HydrophobicContact CD1-CG1 4.06Å; L8-V79 HydrophobicContact CG-CG1 3.95Å; L8-L81 HydrophobicContact CD1-CD1 4.01Å; L8-L81 HydrophobicContact CD1-CD2 4.46Å; L8-L81 HydrophobicContact CD1-CG 3.92Å; L8-L81 HydrophobicContact CD2-CB 4.49Å; L8-L81 HydrophobicContact CD2-CD1 3.89Å; L8-L81 HydrophobicContact CD2-CG 3.87Å; L8-L81 HydrophobicContact CG-CD1 4.41Å; L8-L81 HydrophobicContact CG-CG 4.08Å; L8-F171 HydrophobicContact CD1-CD1 3.97Å; L8-F171 HydrophobicContact CD1-CE1 4.17Å; L8-A174 HydrophobicContact CD1-CB 3.89Å |
| 9 | V | 98.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.3 | 172.1 | 178.2 | 0 | 0 | 0 | 0 | 108.7 | K7 V11 W58 T60 S73 Y74 T77 V79 I80 L81 | K7-V9 HydrophobicContact CG-CG2 4.44Å; V9-V11 HydrophobicContact CG1-CG1 4.16Å; V9-W58 HydrophobicContact CB-CB 4.31Å; V9-W58 HydrophobicContact CG1-CB 4.47Å; V9-W58 HydrophobicContact CG2-CB 3.78Å; V9-W58 HydrophobicContact CG2-CG 4.15Å; V9-T60 HydrophobicContact CG1-CG2 3.85Å; V9-S73 WeakPolarHBondContact CG2-O 3.41Å; V9-Y74 HydrophobicContact CG1-CD1 4.07Å; V9-Y74 HydrophobicContact CG1-CE1 3.94Å; V9-T77 HydrophobicContact CB-CG2 4.04Å; V9-T77 HydrophobicContact CG2-CG2 3.74Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.31Å; V9-V79 PolarHBondContact N-O 2.82Å; V9-V79 VanDerWaalsContact N-O 3.16Å; V9-I80 HydrophobicContact CB-CD1 3.96Å; V9-I80 HydrophobicContact CG1-CD1 4.44Å; V9-I80 WeakPolarHBondContact O-CA 3.38Å; V9-L81 PolarHBondContact O-N 3.29Å |
| 10 | I | 98.7 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 135.4 | 174.9 | -167.5 | 164.3 | 0 | 0 | 0 | 110 | K18 L21 L22 W58 D59 T60 L81 C83 | I10-K18 HydrophobicContact CD1-CB 3.72Å; I10-K18 HydrophobicContact CD1-CG 4.08Å; I10-K18 HydrophobicContact CG1-CB 3.92Å; I10-K18 HydrophobicContact CG1-CD 4.06Å; I10-K18 HydrophobicContact CG1-CG 3.91Å; I10-K18 HydrophobicContact CG2-CB 4.13Å; I10-K18 HydrophobicContact CG2-CD 4.5Å; I10-L21 HydrophobicContact CD1-CD2 4.06Å; I10-L22 HydrophobicContact CD1-CD2 4.2Å; I10-L22 HydrophobicContact CD1-CG 4.26Å; I10-L22 HydrophobicContact CG2-CD1 3.61Å; I10-L22 HydrophobicContact CG2-CD2 4.39Å; I10-L22 HydrophobicContact CG2-CG 4.12Å; I10-W58 PolarHBondContact N-O 2.9Å; I10-W58 VanDerWaalsContact N-O 3.14Å; I10-D59 WeakPolarHBondContact CG2-OD1 3.31Å; I10-T60 WeakPolarHBondContact O-CB 3.4Å; I10-T60 WeakPolarHBondContact O-CG2 3.39Å; I10-T60 PolarHBondContact O-OG1 2.98Å; I10-L81 CarbonylContact C-O 3.59Å; I10-L81 WeakPolarHBondContact CA-O 3.18Å; I10-L81 HydrophobicContact CB-CB 4.18Å; I10-L81 HydrophobicContact CD1-CB 4.28Å; I10-L81 HydrophobicContact CD1-CD1 4.25Å; I10-L81 HydrophobicContact CG1-CB 3.85Å; I10-C83 VanDerWaalsContact CD1-SG 3.57Å |
| 11 | V | 98.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 166.3 | 178.5 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | V9 K18 Y74 I80 L81 M82 C83 W99 V103 | V9-V11 HydrophobicContact CG1-CG1 4.16Å; V11-K18 VanDerWaalsContact C-CD 3.44Å; V11-Y74 HydrophobicContact CG1-CE1 3.84Å; V11-I80 HydrophobicContact CG2-CG2 4Å; V11-L81 PolarHBondContact N-O 3.43Å; V11-M82 HydrophobicContact CG2-CB 4.3Å; V11-M82 HydrophobicContact CG2-CG 4.16Å; V11-C83 PolarHBondContact O-N 3.46Å; V11-W99 HydrophobicContact CB-CE3 3.86Å; V11-W99 HydrophobicContact CB-CZ3 4.06Å; V11-W99 HydrophobicContact CG2-CE3 4.19Å; V11-V103 HydrophobicContact CG2-CG2 3.86Å |
| 12 | G | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 138.1 | 169.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K18 G62 C83 W99 | G12-K18 WeakPolarHBondContact O-CE 3.5Å; G12-K18 PolarHBondContact O-NZ 2.9Å; G12-G62 WeakPolarHBondContact O-CA 3.39Å; G12-C83 WeakPolarHBondContact CA-O 3.36Å; G12-W99 WeakPolarHBondContact O-CH2 3.43Å; G12-W99 WeakPolarHBondContact O-CZ2 3.07Å |
| 13 | D | 98.2 | Very high | 96.2 | Very high | 24 Ų | 24 | 25.1 Ų | 25.1 | 13% | 0.128 | 15% | 0.152 | C | C | . | . | trans | -56.5 | 158.8 | -174 | -76.8 | 4.7 | 0 | 0 | 0 | 114.3 | C16 K18 S91 N94 W99 | D13-C16 HydrophobicContact CB-CB 4.38Å; D13-C16 PolarHBondContact O-N 3.09Å; D13-C16 PolarHBondContact O-SG 3.17Å; D13-K18 PolarHBondContact O-NZ 3.36Å; D13-S91 VanDerWaalsContact OD2-CA 3.29Å; D13-S91 WeakPolarHBondContact OD2-CA 3.35Å; D13-S91 WeakPolarHBondContact OD2-CB 3.26Å; D13-N94 PolarHBondContact OD2-ND2 2.86Å; D13-W99 PolarHBondContact OD1-NE1 3.08Å | ||
| 14 | G | 95.4 | Very high | 97.2 | Very high | 31 Ų | 31 | 22 Ų | 22 | 32% | 0.32 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 142.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | C16 | G14-C16 PolarHBondContact O-N 3.2Š|
| 15 | A | 95.4 | Very high | 97.3 | Very high | 55 Ų | 55 | 21 Ų | 21 | 46% | 0.455 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 10.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | G17 K118 | A15-G17 PolarHBondContact O-N 2.99Å; A15-K118 VanDerWaalsContact O-CE 3.22Å; A15-K118 WeakPolarHBondContact O-CE 3.42Å; A15-K118 PolarHBondContact O-NZ 3.01Å; A15-K118 VanDerWaalsContact O-NZ 3.15Å |
| 16 | C | 97.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.007 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -75.6 | -2 | 177.6 | 80.3 | 0 | 0 | 0 | 0 | 114 | D13 G14 K18 N117 | D13-C16 HydrophobicContact CB-CB 4.38Å; D13-C16 PolarHBondContact O-N 3.09Å; D13-C16 PolarHBondContact O-SG 3.17Å; G14-C16 PolarHBondContact O-N 3.2Å; C16-K18 VanDerWaalsContact SG-CG 3.56Å; C16-N117 WeakPolarHBondContact O-CB 3.32Å; C16-N117 PolarHBondContact O-ND2 2.95Å |
| 17 | G | 97.4 | Very high | 96.9 | Very high | 17 Ų | 17 | 21 Ų | 21 | 18% | 0.175 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 99.4 | 13.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | A15 T19 C20 L21 | A15-G17 PolarHBondContact O-N 2.99Å; G17-T19 PolarHBondContact O-N 3.27Å; G17-C20 PolarHBondContact O-N 3.25Å; G17-L21 PolarHBondContact O-N 2.77Å |
| 18 | K | 98 | Very high | 96.7 | Very high | 11 Ų | 11 | 25 Ų | 25 | 5% | 0.048 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -52.3 | -55 | 179.6 | -57.8 | -172.9 | -61.6 | -74.9 | 0 | 113.2 | I10 V11 G12 D13 C16 C20 L21 L22 T60 C83 | I10-K18 HydrophobicContact CD1-CB 3.72Å; I10-K18 HydrophobicContact CD1-CG 4.08Å; I10-K18 HydrophobicContact CG1-CB 3.92Å; I10-K18 HydrophobicContact CG1-CD 4.06Å; I10-K18 HydrophobicContact CG1-CG 3.91Å; I10-K18 HydrophobicContact CG2-CB 4.13Å; I10-K18 HydrophobicContact CG2-CD 4.5Å; V11-K18 VanDerWaalsContact C-CD 3.44Å; G12-K18 WeakPolarHBondContact O-CE 3.5Å; G12-K18 PolarHBondContact O-NZ 2.9Å; D13-K18 PolarHBondContact O-NZ 3.36Å; C16-K18 VanDerWaalsContact SG-CG 3.56Å; K18-C20 PolarHBondContact O-N 3.44Å; K18-L21 WeakPolarHBondContact O-CB 3.48Å; K18-L21 PolarHBondContact O-N 3.03Å; K18-L21 VanDerWaalsContact O-N 3.17Å; K18-L22 PolarHBondContact O-N 2.8Å; K18-T60 WeakPolarHBondContact CE-O 3.46Å; K18-C83 HydrophobicContact CG-CB 4.11Å |
| 19 | T | 96.8 | Very high | 96.3 | Very high | 29 Ų | 29 | 31.4 Ų | 31.4 | 18% | 0.178 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.2 | -44.9 | -177.8 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | G17 L21 L22 I23 T37 D59 | G17-T19 PolarHBondContact O-N 3.27Å; T19-L21 VanDerWaalsContact C-N 3.29Å; T19-L21 PolarHBondContact O-N 2.92Å; T19-L22 PolarHBondContact O-N 3.47Å; T19-I23 HydrophobicContact CG2-CD1 3.7Å; T19-I23 HydrophobicContact CG2-CG1 4.33Å; T19-I23 WeakPolarHBondContact O-CB 3.39Å; T19-I23 VanDerWaalsContact O-CG1 3.27Å; T19-I23 WeakPolarHBondContact O-CG1 3.41Å; T19-I23 PolarHBondContact O-N 3.19Å; T19-T37 PolarHBondContact OG1-OG1 3.35Å; T19-D59 WeakPolarHBondContact CA-OD2 3.31Å; T19-D59 VanDerWaalsContact CB-OD2 3.24Å; T19-D59 WeakPolarHBondContact CB-OD2 3.42Å; T19-D59 VanDerWaalsContact CG2-OD2 3.3Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.23Å; T19-D59 PolarHBondContact OG1-OD2 3.19Å |
| 20 | C | 96.9 | Very high | 95.9 | Very high | 25 Ų | 25 | 35.2 Ų | 35.2 | 17% | 0.169 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 176.3 | -57.9 | 0 | 0 | 0 | 0 | 111.8 | G17 K18 V24 F30 P31 A161 | G17-C20 PolarHBondContact O-N 3.25Å; K18-C20 PolarHBondContact O-N 3.44Å; C20-V24 WeakPolarHBondContact O-CB 3.44Å; C20-V24 VanDerWaalsContact O-CG2 3.23Å; C20-V24 WeakPolarHBondContact O-CG2 3.38Å; C20-V24 PolarHBondContact O-N 2.73Å; C20-F30 HydrophobicContact CB-CD2 4.4Å; C20-F30 HydrophobicContact CB-CE2 3.83Å; C20-F30 HydrophobicContact CB-CZ 4.42Å; C20-P31 HydrophobicContact CB-CG 4.33Å; C20-A161 HydrophobicContact CB-CB 3.96Å |
| 21 | L | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -48 | 176.8 | 177.3 | 59.4 | 0 | 0 | 0 | 111.7 | I10 G17 K18 T19 F25 L81 V115 V167 V170 F171 | I10-L21 HydrophobicContact CD1-CD2 4.06Å; G17-L21 PolarHBondContact O-N 2.77Å; K18-L21 WeakPolarHBondContact O-CB 3.48Å; K18-L21 PolarHBondContact O-N 3.03Å; K18-L21 VanDerWaalsContact O-N 3.17Å; T19-L21 VanDerWaalsContact C-N 3.29Å; T19-L21 PolarHBondContact O-N 2.92Å; L21-F25 WeakPolarHBondContact O-CB 3.24Å; L21-F25 PolarHBondContact O-N 3.31Å; L21-F25 VanDerWaalsContact O-N 3.12Å; L21-L81 HydrophobicContact CD2-CD1 4.34Å; L21-V115 HydrophobicContact CD2-CG1 4.2Å; L21-V167 HydrophobicContact CD1-CB 4.38Å; L21-V167 HydrophobicContact CD1-CG1 3.98Å; L21-V167 HydrophobicContact CD1-CG2 4.06Å; L21-V170 HydrophobicContact CD2-CG1 4.38Å; L21-F171 HydrophobicContact CD1-CE2 3.8Å; L21-F171 HydrophobicContact CD1-CZ 4.36Å; L21-F171 HydrophobicContact CG-CE2 3.95Å; L21-F171 HydrophobicContact CG-CZ 4Å |
| 22 | L | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -65.5 | -42.1 | 178.6 | -64.4 | -173 | 0 | 0 | 0 | 112.7 | L8 I10 K18 T19 F25 S26 Y42 L57 D59 F171 | L8-L22 HydrophobicContact CD2-CD2 4.32Å; I10-L22 HydrophobicContact CD1-CD2 4.2Å; I10-L22 HydrophobicContact CD1-CG 4.26Å; I10-L22 HydrophobicContact CG2-CD1 3.61Å; I10-L22 HydrophobicContact CG2-CD2 4.39Å; I10-L22 HydrophobicContact CG2-CG 4.12Å; K18-L22 PolarHBondContact O-N 2.8Å; T19-L22 PolarHBondContact O-N 3.47Å; L22-F25 PolarHBondContact O-N 3.07Å; L22-S26 WeakPolarHBondContact O-CB 3.24Å; L22-S26 PolarHBondContact O-N 3.32Å; L22-S26 PolarHBondContact O-OG 2.93Å; L22-Y42 HydrophobicContact CB-CD2 4.49Å; L22-Y42 HydrophobicContact CD1-CD2 4.4Å; L22-L57 HydrophobicContact CD1-CB 4.4Å; L22-L57 HydrophobicContact CD2-CB 4.22Å; L22-L57 HydrophobicContact CD2-CD1 4.33Å; L22-L57 HydrophobicContact CD2-CD2 4.45Å; L22-D59 HydrophobicContact CD1-CB 3.53Å; L22-F171 HydrophobicContact CD2-CE1 3.86Å; L22-F171 HydrophobicContact CD2-CZ 3.85Å |
| 23 | I | 94.8 | Very high | 93.9 | Very high | 24 Ų | 24 | 51.1 Ų | 51.1 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.8 | -47.1 | 180 | -69.3 | 174.8 | 0 | 0 | 0 | 110.5 | T19 F25 S26 K27 Q29 P31 Y42 | T19-I23 HydrophobicContact CG2-CD1 3.7Å; T19-I23 HydrophobicContact CG2-CG1 4.33Å; T19-I23 WeakPolarHBondContact O-CB 3.39Å; T19-I23 VanDerWaalsContact O-CG1 3.27Å; T19-I23 WeakPolarHBondContact O-CG1 3.41Å; T19-I23 PolarHBondContact O-N 3.19Å; I23-F25 VanDerWaalsContact C-N 3.29Å; I23-F25 PolarHBondContact O-N 3.01Å; I23-S26 PolarHBondContact O-N 2.98Å; I23-S26 PolarHBondContact O-OG 3.21Å; I23-K27 HydrophobicContact CG2-CD 4.33Å; I23-K27 WeakPolarHBondContact O-CB 3.49Å; I23-K27 PolarHBondContact O-N 3.46Å; I23-Q29 WeakPolarHBondContact CG2-O 3.49Å; I23-P31 HydrophobicContact CD1-CB 4.45Å; I23-P31 HydrophobicContact CD1-CG 4.24Å; I23-Y42 HydrophobicContact CG1-CE1 4.41Å |
| 24 | V | 96.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 179.9 | 171 | 0 | 0 | 0 | 0 | 110.9 | C20 D28 Q29 F30 A161 K164 V167 | C20-V24 WeakPolarHBondContact O-CB 3.44Å; C20-V24 VanDerWaalsContact O-CG2 3.23Å; C20-V24 WeakPolarHBondContact O-CG2 3.38Å; C20-V24 PolarHBondContact O-N 2.73Å; V24-D28 WeakPolarHBondContact O-CA 3.49Å; V24-D28 PolarHBondContact O-N 2.95Å; V24-Q29 WeakPolarHBondContact CG2-O 3.49Å; V24-F30 HydrophobicContact CG2-CB 4.08Å; V24-F30 HydrophobicContact CG2-CD2 3.9Å; V24-F30 HydrophobicContact CG2-CG 4.46Å; V24-A161 HydrophobicContact CB-CB 4.39Å; V24-A161 HydrophobicContact CG2-CB 4.02Å; V24-A161 WeakPolarHBondContact CG2-O 3.1Å; V24-K164 HydrophobicContact CG1-CG 3.96Å; V24-V167 HydrophobicContact CG1-CG1 4.27Å; V24-V167 HydrophobicContact CG1-CG2 4.26Å |
| 25 | F | 96.7 | Very high | 92.2 | Very high | 36 Ų | 36 | 60 Ų | 60 | 16% | 0.158 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.7 | -43.1 | 175.6 | 173.2 | -111.9 | 0 | 0 | 0 | 113.1 | L21 L22 I23 A44 I46 L55 L57 V167 F171 | L21-F25 WeakPolarHBondContact O-CB 3.24Å; L21-F25 PolarHBondContact O-N 3.31Å; L21-F25 VanDerWaalsContact O-N 3.12Å; L22-F25 PolarHBondContact O-N 3.07Å; I23-F25 VanDerWaalsContact C-N 3.29Å; I23-F25 PolarHBondContact O-N 3.01Å; F25-A44 HydrophobicContact CD1-CB 4.04Å; F25-A44 HydrophobicContact CE1-CB 3.5Å; F25-A44 HydrophobicContact CZ-CB 4.18Å; F25-I46 HydrophobicContact CE2-CD1 4.05Å; F25-I46 HydrophobicContact CZ-CB 4.22Å; F25-I46 HydrophobicContact CZ-CD1 4.05Å; F25-L55 HydrophobicContact CE1-CD1 3.91Å; F25-L55 HydrophobicContact CZ-CD1 3.99Å; F25-L57 HydrophobicContact CD1-CD1 3.79Å; F25-L57 HydrophobicContact CE1-CD1 4.11Å; F25-L57 HydrophobicContact CE1-CD2 4.43Å; F25-V167 HydrophobicContact CB-CG1 3.94Å; F25-F171 HydrophobicContact CB-CD2 3.71Å; F25-F171 HydrophobicContact CB-CE1 4.33Å; F25-F171 HydrophobicContact CB-CE2 3.26Å; F25-F171 HydrophobicContact CB-CG 4.44Å; F25-F171 HydrophobicContact CB-CZ 3.6Å; F25-F171 AromaticContact CD1-CD1 3.55Å; F25-F171 HydrophobicContact CD1-CD1 3.55Å; F25-F171 AromaticContact CD1-CD2 3.85Å; F25-F171 HydrophobicContact CD1-CD2 3.85Å; F25-F171 AromaticContact CD1-CE1 3.54Å; F25-F171 HydrophobicContact CD1-CE1 3.54Å; F25-F171 AromaticContact CD1-CE2 3.89Å; F25-F171 HydrophobicContact CD1-CE2 3.89Å; F25-F171 AromaticContact CD1-CG 3.7Å; F25-F171 HydrophobicContact CD1-CG 3.7Å; F25-F171 AromaticContact CD1-CZ 3.72Å; F25-F171 HydrophobicContact CD1-CZ 3.72Å; F25-F171 HydrophobicContact CD2-CB 3.98Å; F25-F171 HydrophobicContact CD2-CD1 4.33Å; F25-F171 AromaticContact CD2-CD2 3.33Å; F25-F171 HydrophobicContact CD2-CD2 3.33Å; F25-F171 AromaticContact CD2-CE2 3.88Å; F25-F171 HydrophobicContact CD2-CE2 3.88Å; F25-F171 AromaticContact CD2-CG 3.62Å; F25-F171 HydrophobicContact CD2-CG 3.62Å; F25-F171 HydrophobicContact CE1-CB 4.16Å; F25-F171 AromaticContact CE1-CD1 3.56Å; F25-F171 HydrophobicContact CE1-CD1 3.56Å; F25-F171 HydrophobicContact CE1-CD2 4.31Å; F25-F171 AromaticContact CE1-CE1 4Å; F25-F171 HydrophobicContact CE1-CE1 4Å; F25-F171 AromaticContact CE1-CG 3.74Å; F25-F171 HydrophobicContact CE1-CG 3.74Å; F25-F171 HydrophobicContact CE2-CB 3.57Å; F25-F171 HydrophobicContact CE2-CD1 4.36Å; F25-F171 AromaticContact CE2-CD2 3.87Å; F25-F171 HydrophobicContact CE2-CD2 3.87Å; F25-F171 AromaticContact CE2-CG 3.67Å; F25-F171 HydrophobicContact CE2-CG 3.67Å; F25-F171 HydrophobicContact CG-CB 4.45Å; F25-F171 AromaticContact CG-CD1 3.95Å; F25-F171 HydrophobicContact CG-CD1 3.95Å; F25-F171 AromaticContact CG-CD2 3.32Å; F25-F171 HydrophobicContact CG-CD2 3.32Å; F25-F171 AromaticContact CG-CE1 3.97Å; F25-F171 HydrophobicContact CG-CE1 3.97Å; F25-F171 AromaticContact CG-CE2 3.4Å; F25-F171 HydrophobicContact CG-CE2 3.4Å; F25-F171 AromaticContact CG-CG 3.64Å; F25-F171 HydrophobicContact CG-CG 3.64Å; F25-F171 AromaticContact CG-CZ 3.7Å; F25-F171 HydrophobicContact CG-CZ 3.7Å; F25-F171 HydrophobicContact CZ-CB 3.67Å; F25-F171 AromaticContact CZ-CD1 4Å; F25-F171 HydrophobicContact CZ-CD1 4Å; F25-F171 HydrophobicContact CZ-CD2 4.32Å; F25-F171 AromaticContact CZ-CG 3.74Å; F25-F171 HydrophobicContact CZ-CG 3.74Å |
| 26 | S | 93.4 | Very high | 91.6 | Very high | 35 Ų | 35 | 60.8 Ų | 60.8 | 25% | 0.245 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -84.1 | -28.2 | -174.3 | 56.7 | 0 | 0 | 0 | 0 | 114.6 | L22 I23 | L22-S26 WeakPolarHBondContact O-CB 3.24Å; L22-S26 PolarHBondContact O-N 3.32Å; L22-S26 PolarHBondContact O-OG 2.93Å; I23-S26 PolarHBondContact O-N 2.98Å; I23-S26 PolarHBondContact O-OG 3.21Å |
| 27 | K | 92.2 | Very high | 90.9 | Very high | 126 Ų | 126 | 61.2 Ų | 61.2 | 55% | 0.548 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -123.4 | -4.3 | -172.3 | -58.6 | -176.2 | -174.5 | 173.3 | 0 | 114 | I23 Q29 | I23-K27 HydrophobicContact CG2-CD 4.33Å; I23-K27 WeakPolarHBondContact O-CB 3.49Å; I23-K27 PolarHBondContact O-N 3.46Å; K27-Q29 PolarHBondContact O-N 3.19Å; K27-Q29 VanDerWaalsContact O-N 3.09Å |
| 28 | D | 91.9 | Very high | 90 | Very high | 107 Ų | 107 | 64.3 Ų | 64.3 | 57% | 0.572 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 56.3 | 22.3 | -177.2 | -161.4 | 42.6 | 0 | 0 | 0 | 114.7 | V24 K164 | V24-D28 WeakPolarHBondContact O-CA 3.49Å; V24-D28 PolarHBondContact O-N 2.95Å; D28-K164 WeakPolarHBondContact O-CE 3.43Å; D28-K164 PolarHBondContact O-NZ 3.49Å; D28-K164 WeakPolarHBondContact OD1-CE 3.16Å; D28-K164 IonicContact OD1-NZ 3.7Å; D28-K164 PolarHBondContact OD1-NZ 3.49Å; D28-K164 IonicContact OD2-NZ 2.95Å; D28-K164 PolarHBondContact OD2-NZ 2.83Å |
| 29 | Q | 90.9 | Very high | 88.7 | Confident | 133 Ų | 133 | 67.5 Ų | 67.5 | 62% | 0.621 | 35% | 0.348 | S | S | * | . | trans | -128.9 | 133.1 | -178.4 | -171.7 | 178.1 | 22 | 0 | 0 | 110.8 | I23 V24 K27 | I23-Q29 WeakPolarHBondContact CG2-O 3.49Å; V24-Q29 WeakPolarHBondContact CG2-O 3.49Å; K27-Q29 PolarHBondContact O-N 3.19Å; K27-Q29 VanDerWaalsContact O-N 3.09Å | ||
| 30 | F | 90.4 | Very high | 88.1 | Confident | 80 Ų | 80 | 70.4 Ų | 70.4 | 35% | 0.351 | 36% | 0.359 | S | S | . | . | trans | -82.9 | 130.6 | 172.2 | -171 | -93.1 | 0 | 0 | 0 | 110 | C20 V24 E32 A161 K162 | C20-F30 HydrophobicContact CB-CD2 4.4Å; C20-F30 HydrophobicContact CB-CE2 3.83Å; C20-F30 HydrophobicContact CB-CZ 4.42Å; V24-F30 HydrophobicContact CG2-CB 4.08Å; V24-F30 HydrophobicContact CG2-CD2 3.9Å; V24-F30 HydrophobicContact CG2-CG 4.46Å; F30-E32 PolarHBondContact O-N 3.37Å; F30-A161 HydrophobicContact CD2-CB 4.06Å; F30-A161 HydrophobicContact CE2-CB 3.94Å; F30-K162 HydrophobicContact CD2-CB 4.22Å; F30-K162 HydrophobicContact CE2-CB 3.93Å; F30-K162 HydrophobicContact CZ-CB 4.27Å | ||
| 31 | P | 87.3 | Confident | 87.6 | Confident | 35 Ų | 35 | 73.4 Ų | 73.4 | 23% | 0.227 | 37% | 0.374 | C | S | . | . | trans | -71.6 | 127.7 | 178.5 | 29.2 | -33.9 | 0 | 0 | 0 | 111 | C20 I23 | C20-P31 HydrophobicContact CB-CG 4.33Å; I23-P31 HydrophobicContact CD1-CB 4.45Å; I23-P31 HydrophobicContact CD1-CG 4.24Å | ||
| 32 | E | 83.4 | Confident | 87.1 | Confident | 190 Ų | 190 | 74.6 Ų | 74.6 | 89% | 0.888 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -78.9 | -23.7 | 178.6 | -65 | -173.3 | 173.1 | 0 | 0 | 113.1 | F30 | F30-E32 PolarHBondContact O-N 3.37Š|
| 33 | V | 83.6 | Confident | 86.9 | Confident | 110 Ų | 110 | 78.4 Ų | 78.4 | 67% | 0.667 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -110 | 126.4 | -178.5 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | V35 | V33-V35 HydrophobicContact CG1-CG2 4.16Å; V33-V35 PolarHBondContact O-N 2.96Å |
| 34 | Y | 75.6 | Confident | 86.9 | Confident | 139 Ų | 139 | 77.9 Ų | 77.9 | 55% | 0.545 | 40% | 0.401 | S | S | . | . | trans | -79.4 | 116.8 | 172.3 | 179 | -110.5 | 0 | 0 | 0 | 110.5 | P36 | Y34-P36 HydrophobicContact CE1-CG 3.83Š| ||
| 35 | V | 82.1 | Confident | 86.8 | Confident | 102 Ų | 102 | 83.4 Ų | 83.4 | 62% | 0.618 | 43% | 0.43 | S | S | * | . | trans | -120.9 | 120 | 171.2 | -177.5 | 0 | 0 | 0 | 0 | 107.5 | V33 T37 | V33-V35 HydrophobicContact CG1-CG2 4.16Å; V33-V35 PolarHBondContact O-N 2.96Å; V35-T37 PolarHBondContact O-N 3.03Å | ||
| 36 | P | 81.5 | Confident | 86.7 | Confident | 71 Ų | 71 | 82 Ų | 82 | 46% | 0.461 | 42% | 0.424 | S | S | . | . | trans | -60.3 | 126.7 | 176.3 | -24.6 | 33.9 | 0 | 0 | 0 | 112.1 | Y34 | Y34-P36 HydrophobicContact CE1-CG 3.83Š| ||
| 37 | T | 82.9 | Confident | 86.8 | Confident | 11 Ų | 11 | 85 Ų | 85 | 7% | 0.067 | 43% | 0.434 | C | S | . | . | trans | -76.3 | 137.5 | 177.9 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | T19 V35 E40 D59 A61 | T19-T37 PolarHBondContact OG1-OG1 3.35Å; V35-T37 PolarHBondContact O-N 3.03Å; T37-E40 HydrophobicContact CG2-CG 4.37Å; T37-D59 HydrophobicContact CG2-CB 4.14Å; T37-D59 WeakPolarHBondContact CG2-OD2 3.38Å; T37-D59 PolarHBondContact OG1-OD2 3.24Å; T37-D59 VanDerWaalsContact OG1-OD2 3.12Å; T37-A61 WeakPolarHBondContact O-CB 3.42Å | ||
| 38 | V | 78.2 | Confident | 86.9 | Confident | 81 Ų | 81 | 79.2 Ų | 79.2 | 49% | 0.491 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -92 | -60.4 | 162.9 | 177.9 | 0 | 0 | 0 | 0 | 108.9 | A61 Y66 | V38-A61 PolarHBondContact O-N 3.34Å; V38-Y66 HydrophobicContact CB-CE1 4.2Å; V38-Y66 HydrophobicContact CG1-CD1 4.04Å; V38-Y66 HydrophobicContact CG1-CE1 3.67Å; V38-Y66 HydrophobicContact CG2-CE1 3.87Å |
| 39 | F | 71.2 | Confident | 87 | Confident | 78 Ų | 78 | 79.2 Ų | 79.2 | 34% | 0.342 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 130.1 | 175.5 | -178 | -103.8 | 0 | 0 | 0 | 109.7 | N41 W58 D59 S73 | F39-N41 WeakPolarHBondContact CE1-ND2 3.49Å; F39-N41 VanDerWaalsContact CZ-OD1 3.23Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.49Å; F39-W58 HydrophobicContact CE1-CE3 4.28Å; F39-W58 HydrophobicContact CE1-CZ3 4.13Å; F39-W58 HydrophobicContact CE2-CB 4.37Å; F39-W58 HydrophobicContact CE2-CD2 4.25Å; F39-W58 AromaticContact CE2-CE3 3.45Å; F39-W58 HydrophobicContact CE2-CE3 3.45Å; F39-W58 VanDerWaalsContact CE2-CE3 3.45Å; F39-W58 AromaticContact CE2-CZ3 3.98Å; F39-W58 HydrophobicContact CE2-CZ3 3.98Å; F39-W58 AromaticContact CZ-CD2 3.82Å; F39-W58 HydrophobicContact CZ-CD2 3.82Å; F39-W58 AromaticContact CZ-CE3 3.1Å; F39-W58 HydrophobicContact CZ-CE3 3.1Å; F39-W58 HydrophobicContact CZ-CH2 4.22Å; F39-W58 AromaticContact CZ-CZ3 3.31Å; F39-W58 HydrophobicContact CZ-CZ3 3.31Å; F39-D59 WeakPolarHBondContact CD2-O 3.4Å; F39-S73 WeakPolarHBondContact CD2-OG 3.35Å; F39-S73 WeakPolarHBondContact CE2-OG 3.34Å |
| 40 | E | 85.1 | Confident | 87 | Confident | 91 Ų | 91 | 76 Ų | 76 | 43% | 0.425 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 148.7 | 175.5 | -70.6 | -164.2 | -164.7 | 0 | 0 | 111.5 | T37 Y42 D59 | T37-E40 HydrophobicContact CG2-CG 4.37Å; E40-Y42 HydrophobicContact CB-CE2 3.8Å; E40-Y42 PolarHBondContact OE2-OH 3.15Å; E40-D59 HydrophobicContact CB-CB 4.32Å; E40-D59 PolarHBondContact N-O 2.93Å; E40-D59 PolarHBondContact O-N 2.95Å |
| 41 | N | 85.2 | Confident | 87.1 | Confident | 88 Ų | 88 | 77.1 Ų | 77.1 | 47% | 0.471 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.3 | 176.5 | -75.5 | -40.7 | 0 | 0 | 0 | 110.2 | F39 L57 W58 | F39-N41 WeakPolarHBondContact CE1-ND2 3.49Å; F39-N41 VanDerWaalsContact CZ-OD1 3.23Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.49Å; N41-L57 WeakPolarHBondContact CA-O 3.35Å; N41-W58 VanDerWaalsContact OD1-CD2 3.29Å |
| 42 | Y | 88.9 | Confident | 87.5 | Confident | 24 Ų | 24 | 80.6 Ų | 80.6 | 9% | 0.094 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 159.8 | 172.8 | -52 | -90 | 0 | 0 | 0 | 110.1 | L22 I23 E40 L57 D59 | L22-Y42 HydrophobicContact CB-CD2 4.49Å; L22-Y42 HydrophobicContact CD1-CD2 4.4Å; I23-Y42 HydrophobicContact CG1-CE1 4.41Å; E40-Y42 HydrophobicContact CB-CE2 3.8Å; E40-Y42 PolarHBondContact OE2-OH 3.15Å; Y42-L57 PolarHBondContact N-O 3.39Å; Y42-L57 PolarHBondContact O-N 3.15Å; Y42-D59 HydrophobicContact CE2-CB 4.29Å |
| 43 | V | 92.4 | Very high | 88.2 | Confident | 81 Ų | 81 | 71.6 Ų | 71.6 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.9 | 171.9 | -178.8 | 0 | 0 | 0 | 0 | 108 | E54 L55 | V43-E54 HydrophobicContact CG1-CG 3.45Å; V43-E54 VanDerWaalsContact CG1-CG 3.45Å; V43-L55 WeakPolarHBondContact CA-O 3.41Å |
| 44 | A | 94.2 | Very high | 88.8 | Confident | 12 Ų | 12 | 68.8 Ų | 68.8 | 10% | 0.099 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 139.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | F25 L55 L57 | F25-A44 HydrophobicContact CD1-CB 4.04Å; F25-A44 HydrophobicContact CE1-CB 3.5Å; F25-A44 HydrophobicContact CZ-CB 4.18Å; A44-L55 PolarHBondContact N-O 3.04Å; A44-L55 VanDerWaalsContact N-O 3.08Å; A44-L55 PolarHBondContact O-N 3.46Å; A44-L57 HydrophobicContact CB-CD1 4.16Å |
| 45 | D | 95.2 | Very high | 89.8 | Confident | 122 Ų | 122 | 62.2 Ų | 62.2 | 65% | 0.652 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 137.7 | 173.9 | -67.4 | -48.3 | 0 | 0 | 0 | 110.5 | ||
| 46 | I | 95.6 | Very high | 90.5 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 139.1 | 175.7 | -166.5 | 175.7 | 0 | 0 | 0 | 110.8 | F25 V48 V53 L55 F171 E172 T175 | F25-I46 HydrophobicContact CE2-CD1 4.05Å; F25-I46 HydrophobicContact CZ-CB 4.22Å; F25-I46 HydrophobicContact CZ-CD1 4.05Å; I46-V48 HydrophobicContact CD1-CG2 3.94Å; I46-V48 HydrophobicContact CG1-CG2 3.95Å; I46-V48 HydrophobicContact CG2-CG2 4.34Å; I46-V53 HydrophobicContact CG2-CB 4.19Å; I46-V53 PolarHBondContact N-O 3.42Å; I46-V53 PolarHBondContact O-N 2.92Å; I46-L55 HydrophobicContact CG2-CD1 3.76Å; I46-L55 HydrophobicContact CG2-CG 3.94Å; I46-F171 HydrophobicContact CD1-CB 3.98Å; I46-E172 HydrophobicContact CD1-CG 3.81Å; I46-T175 HydrophobicContact CG2-CG2 4.17Å |
| 47 | E | 95 | Very high | 91.3 | Very high | 99 Ų | 99 | 54.5 Ų | 54.5 | 46% | 0.463 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 122.1 | 170.3 | -169.2 | 179.2 | 161 | 0 | 0 | 110.1 | K51 Q52 | E47-K51 WeakPolarHBondContact CA-O 3.37Å; E47-Q52 VanDerWaalsContact CD-NE2 3.31Å; E47-Q52 PolarHBondContact OE2-NE2 2.9Å |
| 48 | V | 94.8 | Very high | 92 | Very high | 4 Ų | 4 | 56.9 Ų | 56.9 | 2% | 0.024 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 126.7 | 177.2 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | I46 G50 K51 E172 T175 R176 | I46-V48 HydrophobicContact CD1-CG2 3.94Å; I46-V48 HydrophobicContact CG1-CG2 3.95Å; I46-V48 HydrophobicContact CG2-CG2 4.34Å; V48-G50 PolarHBondContact O-N 3.11Å; V48-K51 PolarHBondContact N-O 2.93Å; V48-K51 WeakPolarHBondContact O-CB 3.3Å; V48-K51 PolarHBondContact O-N 2.76Å; V48-E172 HydrophobicContact CG2-CB 4.32Å; V48-E172 HydrophobicContact CG2-CG 4.14Å; V48-T175 HydrophobicContact CB-CG2 3.98Å; V48-T175 HydrophobicContact CG2-CG2 3.71Å; V48-R176 HydrophobicContact CG1-CB 4.31Å |
| 49 | D | 92.6 | Very high | 92.8 | Very high | 108 Ų | 108 | 53 Ų | 53 | 58% | 0.578 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 41.5 | 179.2 | -51 | -24.3 | 0 | 0 | 0 | 112.3 | K51 R176 | D49-K51 VanDerWaalsContact C-N 3.34Å; D49-K51 PolarHBondContact O-N 3.47Å; D49-R176 IonicContact OD1-CZ 3.71Å; D49-R176 IonicContact OD1-NE 3.56Å; D49-R176 IonicContact OD1-NH2 2.95Å; D49-R176 PolarHBondContact OD1-NH2 3.44Å; D49-R176 IonicContact OD2-CZ 3.87Å; D49-R176 IonicContact OD2-NE 3.01Å; D49-R176 PolarHBondContact OD2-NE 3.34Å; D49-R176 IonicContact OD2-NH2 3.82Å |
| 50 | G | 91.7 | Very high | 94 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 66% | 0.66 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 14.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V48 | V48-G50 PolarHBondContact O-N 3.11Š|
| 51 | K | 92.8 | Very high | 94.4 | Very high | 104 Ų | 104 | 45.2 Ų | 45.2 | 45% | 0.452 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 125.2 | 178.1 | -62.3 | 176.6 | -174.8 | 169.8 | 0 | 110.6 | I4 E47 V48 D49 V53 L179 | I4-K51 HydrophobicContact CD1-CB 4.36Å; I4-K51 HydrophobicContact CD1-CD 4.18Å; E47-K51 WeakPolarHBondContact CA-O 3.37Å; V48-K51 PolarHBondContact N-O 2.93Å; V48-K51 WeakPolarHBondContact O-CB 3.3Å; V48-K51 PolarHBondContact O-N 2.76Å; D49-K51 VanDerWaalsContact C-N 3.34Å; D49-K51 PolarHBondContact O-N 3.47Å; K51-V53 HydrophobicContact CB-CG2 4.49Å; K51-L179 HydrophobicContact CD-CD1 4.24Å |
| 52 | Q | 95.8 | Very high | 94.7 | Very high | 108 Ų | 108 | 41.3 Ų | 41.3 | 51% | 0.505 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 123.1 | 169.2 | -61.9 | -62.5 | -16.1 | 0 | 0 | 109.9 | E47 | E47-Q52 VanDerWaalsContact CD-NE2 3.31Å; E47-Q52 PolarHBondContact OE2-NE2 2.9Å |
| 53 | V | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.7 | -178.8 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | I4 K6 I46 K51 L55 T175 L179 | I4-V53 HydrophobicContact CB-CG2 4.31Å; I4-V53 HydrophobicContact CG2-CG1 4.48Å; I4-V53 HydrophobicContact CG2-CG2 4.44Å; I4-V53 CarbonylContact O-C 3.56Å; I4-V53 VanDerWaalsContact O-CA 3.23Å; I4-V53 WeakPolarHBondContact O-CA 3.38Å; I4-V53 WeakPolarHBondContact O-CG1 3.35Å; K6-V53 HydrophobicContact CB-CG1 3.94Å; K6-V53 HydrophobicContact CG-CG1 3.73Å; I46-V53 HydrophobicContact CG2-CB 4.19Å; I46-V53 PolarHBondContact N-O 3.42Å; I46-V53 PolarHBondContact O-N 2.92Å; K51-V53 HydrophobicContact CB-CG2 4.49Å; V53-L55 HydrophobicContact CG1-CD2 4.2Å; V53-T175 HydrophobicContact CB-CG2 4.01Å; V53-T175 HydrophobicContact CG1-CG2 4.07Å; V53-T175 HydrophobicContact CG2-CG2 3.82Å; V53-L179 HydrophobicContact CG2-CD1 4.19Å; V53-L179 HydrophobicContact CG2-CD2 4.29Å |
| 54 | E | 96.9 | Very high | 94.7 | Very high | 52 Ų | 52 | 45.6 Ų | 45.6 | 24% | 0.243 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 117 | 167.8 | -173.9 | -167.7 | 93.5 | 0 | 0 | 108.4 | I4 R5 K6 V43 | I4-E54 PolarHBondContact O-N 3.36Å; R5-E54 CarbonylContact C-O 3.58Å; R5-E54 WeakPolarHBondContact CA-O 3.49Å; R5-E54 VanDerWaalsContact CD-OE1 3.27Å; R5-E54 WeakPolarHBondContact CD-OE1 3.36Å; R5-E54 HydrophobicContact CG-CB 4.45Å; R5-E54 IonicContact CZ-OE1 3.95Å; R5-E54 IonicContact NE-OE1 3.32Å; R5-E54 PolarHBondContact NE-OE1 2.85Å; R5-E54 IonicContact NH2-OE1 3.59Å; K6-E54 PolarHBondContact N-O 3.02Å; V43-E54 HydrophobicContact CG1-CG 3.45Å; V43-E54 VanDerWaalsContact CG1-CG 3.45Å |
| 55 | L | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 117.7 | 174.2 | -67.4 | 177.3 | 0 | 0 | 0 | 110.3 | K6 F25 V43 A44 I46 V53 L57 F171 | K6-L55 HydrophobicContact CB-CD2 3.87Å; K6-L55 CarbonylContact O-C 3.48Å; K6-L55 WeakPolarHBondContact O-CA 3.44Å; F25-L55 HydrophobicContact CE1-CD1 3.91Å; F25-L55 HydrophobicContact CZ-CD1 3.99Å; V43-L55 WeakPolarHBondContact CA-O 3.41Å; A44-L55 PolarHBondContact N-O 3.04Å; A44-L55 VanDerWaalsContact N-O 3.08Å; A44-L55 PolarHBondContact O-N 3.46Å; I46-L55 HydrophobicContact CG2-CD1 3.76Å; I46-L55 HydrophobicContact CG2-CG 3.94Å; V53-L55 HydrophobicContact CG1-CD2 4.2Å; L55-L57 HydrophobicContact CB-CD2 3.75Å; L55-L57 HydrophobicContact CB-CG 4.4Å; L55-L57 HydrophobicContact CD1-CD2 4.27Å; L55-F171 HydrophobicContact CD1-CB 4.48Å; L55-F171 HydrophobicContact CD1-CD1 4.19Å |
| 56 | A | 97.4 | Very high | 94.5 | Very high | 11 Ų | 11 | 49.3 Ų | 49.3 | 9% | 0.091 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 109.8 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | K6 L8 | K6-A56 PolarHBondContact O-N 3.28Å; L8-A56 PolarHBondContact N-O 3.42Å |
| 57 | L | 97.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 120.2 | -176 | -50.1 | 174.9 | 0 | 0 | 0 | 109.5 | L8 L22 F25 N41 Y42 A44 L55 F171 | L8-L57 HydrophobicContact CB-CD2 4.17Å; L8-L57 HydrophobicContact CD1-CD2 4.3Å; L8-L57 HydrophobicContact CD2-CD2 4.14Å; L8-L57 HydrophobicContact CG-CD2 4.45Å; L22-L57 HydrophobicContact CD1-CB 4.4Å; L22-L57 HydrophobicContact CD2-CB 4.22Å; L22-L57 HydrophobicContact CD2-CD1 4.33Å; L22-L57 HydrophobicContact CD2-CD2 4.45Å; F25-L57 HydrophobicContact CD1-CD1 3.79Å; F25-L57 HydrophobicContact CE1-CD1 4.11Å; F25-L57 HydrophobicContact CE1-CD2 4.43Å; N41-L57 WeakPolarHBondContact CA-O 3.35Å; Y42-L57 PolarHBondContact N-O 3.39Å; Y42-L57 PolarHBondContact O-N 3.15Å; A44-L57 HydrophobicContact CB-CD1 4.16Å; L55-L57 HydrophobicContact CB-CD2 3.75Å; L55-L57 HydrophobicContact CB-CG 4.4Å; L55-L57 HydrophobicContact CD1-CD2 4.27Å; L57-F171 HydrophobicContact CD2-CD1 4.32Å; L57-F171 HydrophobicContact CD2-CE1 3.98Å |
| 58 | W | 97.4 | Very high | 94.3 | Very high | 60 Ų | 60 | 57.9 Ų | 57.9 | 23% | 0.227 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 103.6 | -178.4 | -72 | 59.9 | 0 | 0 | 0 | 108.9 | K7 L8 V9 I10 F39 N41 | K7-W58 HydrophobicContact CD-CD2 4.35Å; K7-W58 HydrophobicContact CD-CG 4.48Å; K7-W58 HydrophobicContact CD-CZ2 4.43Å; K7-W58 VanDerWaalsContact CE-CD2 3.41Å; K7-W58 VanDerWaalsContact CE-CE2 3.43Å; K7-W58 HydrophobicContact CG-CG 4.4Å; L8-W58 PolarHBondContact O-N 3.36Å; V9-W58 HydrophobicContact CB-CB 4.31Å; V9-W58 HydrophobicContact CG1-CB 4.47Å; V9-W58 HydrophobicContact CG2-CB 3.78Å; V9-W58 HydrophobicContact CG2-CG 4.15Å; I10-W58 PolarHBondContact N-O 2.9Å; I10-W58 VanDerWaalsContact N-O 3.14Å; F39-W58 HydrophobicContact CE1-CE3 4.28Å; F39-W58 HydrophobicContact CE1-CZ3 4.13Å; F39-W58 HydrophobicContact CE2-CB 4.37Å; F39-W58 HydrophobicContact CE2-CD2 4.25Å; F39-W58 AromaticContact CE2-CE3 3.45Å; F39-W58 HydrophobicContact CE2-CE3 3.45Å; F39-W58 VanDerWaalsContact CE2-CE3 3.45Å; F39-W58 AromaticContact CE2-CZ3 3.98Å; F39-W58 HydrophobicContact CE2-CZ3 3.98Å; F39-W58 AromaticContact CZ-CD2 3.82Å; F39-W58 HydrophobicContact CZ-CD2 3.82Å; F39-W58 AromaticContact CZ-CE3 3.1Å; F39-W58 HydrophobicContact CZ-CE3 3.1Å; F39-W58 HydrophobicContact CZ-CH2 4.22Å; F39-W58 AromaticContact CZ-CZ3 3.31Å; F39-W58 HydrophobicContact CZ-CZ3 3.31Å; N41-W58 VanDerWaalsContact OD1-CD2 3.29Å |
| 59 | D | 96.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 137 | 175.6 | -160.5 | 10.9 | 0 | 0 | 0 | 110.8 | I10 T19 L22 T37 F39 E40 Y42 | I10-D59 WeakPolarHBondContact CG2-OD1 3.31Å; T19-D59 WeakPolarHBondContact CA-OD2 3.31Å; T19-D59 VanDerWaalsContact CB-OD2 3.24Å; T19-D59 WeakPolarHBondContact CB-OD2 3.42Å; T19-D59 VanDerWaalsContact CG2-OD2 3.3Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.23Å; T19-D59 PolarHBondContact OG1-OD2 3.19Å; L22-D59 HydrophobicContact CD1-CB 3.53Å; T37-D59 HydrophobicContact CG2-CB 4.14Å; T37-D59 WeakPolarHBondContact CG2-OD2 3.38Å; T37-D59 PolarHBondContact OG1-OD2 3.24Å; T37-D59 VanDerWaalsContact OG1-OD2 3.12Å; F39-D59 WeakPolarHBondContact CD2-O 3.4Å; E40-D59 HydrophobicContact CB-CB 4.32Å; E40-D59 PolarHBondContact N-O 2.93Å; E40-D59 PolarHBondContact O-N 2.95Å; Y42-D59 HydrophobicContact CE2-CB 4.29Å |
| 60 | T | 95.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 146 | -177.8 | 74 | 0 | 0 | 0 | 0 | 112.5 | V9 I10 K18 R70 | V9-T60 HydrophobicContact CG1-CG2 3.85Å; I10-T60 WeakPolarHBondContact O-CB 3.4Å; I10-T60 WeakPolarHBondContact O-CG2 3.39Å; I10-T60 PolarHBondContact O-OG1 2.98Å; K18-T60 WeakPolarHBondContact CE-O 3.46Å; T60-R70 HydrophobicContact CG2-CG 4.13Å |
| 61 | A | 93.3 | Very high | 94.6 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | trans | -64.3 | 136.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T37 V38 Y66 R70 | T37-A61 WeakPolarHBondContact O-CB 3.42Å; V38-A61 PolarHBondContact O-N 3.34Å; A61-Y66 HydrophobicContact CB-CD1 4.24Å; A61-Y66 HydrophobicContact CB-CD2 3.43Å; A61-Y66 VanDerWaalsContact CB-CD2 3.43Å; A61-Y66 HydrophobicContact CB-CE2 4.19Å; A61-Y66 HydrophobicContact CB-CG 3.47Å; A61-Y66 VanDerWaalsContact CB-CG 3.47Å; A61-R70 PolarHBondContact O-NE 3.42Å; A61-R70 PolarHBondContact O-NH2 2.95Å | ||
| 62 | G | 91.8 | Very high | 94.7 | Very high | 5 Ų | 5 | 56.5 Ų | 56.5 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | trans | -94.1 | -9.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | G12 | G12-G62 WeakPolarHBondContact O-CA 3.39Š| ||
| 63 | Q | 91.5 | Very high | 94.7 | Very high | 51 Ų | 51 | 51.6 Ų | 51.6 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -79.5 | 148.5 | -178.5 | -53.3 | 83.4 | -18.8 | 0 | 0 | 110.8 | D65 Y66 R70 | Q63-D65 PolarHBondContact O-N 3.04Å; Q63-Y66 HydrophobicContact CB-CD2 4.07Å; Q63-Y66 HydrophobicContact CB-CE2 4.44Å; Q63-Y66 PolarHBondContact O-N 3.13Å; Q63-Y66 VanDerWaalsContact O-N 3.17Å; Q63-R70 PolarHBondContact O-NH2 2.71Å; Q63-R70 VanDerWaalsContact O-NH2 3.17Å |
| 64 | E | 89.8 | Confident | 94.8 | Very high | 144 Ų | 144 | 51.9 Ų | 51.9 | 67% | 0.673 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -62.3 | -30.1 | -179.6 | -69.4 | 179.5 | 178.2 | 0 | 0 | 113.2 | Y66 D67 K98 | E64-Y66 PolarHBondContact O-N 2.97Å; E64-D67 WeakPolarHBondContact O-CB 3.23Å; E64-D67 VanDerWaalsContact O-CG 3.31Å; E64-D67 PolarHBondContact O-N 2.88Å; E64-K98 VanDerWaalsContact CG-NZ 3.33Å |
| 65 | D | 92.8 | Very high | 94.8 | Very high | 147 Ų | 147 | 53 Ų | 53 | 79% | 0.786 | 26% | 0.258 | S | S | * | . | G | 310 helix | trans | -54.6 | -22.5 | 175.9 | -63.9 | -30.5 | 0 | 0 | 0 | 113 | Q63 | Q63-D65 PolarHBondContact O-N 3.04Š|
| 66 | Y | 92.6 | Very high | 94.7 | Very high | 66 Ų | 66 | 60 Ų | 60 | 26% | 0.259 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -107 | 6.9 | -178.8 | -58.2 | -82 | 0 | 0 | 0 | 114 | V38 A61 Q63 E64 R68 L69 R70 | V38-Y66 HydrophobicContact CB-CE1 4.2Å; V38-Y66 HydrophobicContact CG1-CD1 4.04Å; V38-Y66 HydrophobicContact CG1-CE1 3.67Å; V38-Y66 HydrophobicContact CG2-CE1 3.87Å; A61-Y66 HydrophobicContact CB-CD1 4.24Å; A61-Y66 HydrophobicContact CB-CD2 3.43Å; A61-Y66 VanDerWaalsContact CB-CD2 3.43Å; A61-Y66 HydrophobicContact CB-CE2 4.19Å; A61-Y66 HydrophobicContact CB-CG 3.47Å; A61-Y66 VanDerWaalsContact CB-CG 3.47Å; Q63-Y66 HydrophobicContact CB-CD2 4.07Å; Q63-Y66 HydrophobicContact CB-CE2 4.44Å; Q63-Y66 PolarHBondContact O-N 3.13Å; Q63-Y66 VanDerWaalsContact O-N 3.17Å; E64-Y66 PolarHBondContact O-N 2.97Å; Y66-R68 PolarHBondContact O-N 3.28Å; Y66-R68 VanDerWaalsContact O-N 3.13Å; Y66-L69 HydrophobicContact CD1-CD1 3.97Å; Y66-L69 PolarHBondContact O-N 2.86Å; Y66-R70 PolarHBondContact O-N 3.26Å |
| 67 | D | 92.8 | Very high | 94.8 | Very high | 52 Ų | 52 | 60.1 Ų | 60.1 | 28% | 0.278 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -30.3 | -178.4 | -76.4 | -9.4 | 0 | 0 | 0 | 112.7 | E64 R70 P71 K98 | E64-D67 WeakPolarHBondContact O-CB 3.23Å; E64-D67 VanDerWaalsContact O-CG 3.31Å; E64-D67 PolarHBondContact O-N 2.88Å; D67-R70 IonicContact OD1-CZ 2.71Å; D67-R70 VanDerWaalsContact OD1-CZ 3.23Å; D67-R70 IonicContact OD1-NH1 3.93Å; D67-R70 PolarHBondContact OD1-NH1 2.9Å; D67-R70 IonicContact OD1-NH2 2.91Å; D67-R70 PolarHBondContact OD1-NH2 2.97Å; D67-P71 WeakPolarHBondContact O-CD 3.43Å; D67-K98 IonicContact OD1-NZ 2.73Å; D67-K98 PolarHBondContact OD1-NZ 3.1Å; D67-K98 IonicContact OD2-NZ 3.73Å |
| 68 | R | 93.4 | Very high | 94.8 | Very high | 232 Ų | 232 | 62.1 Ų | 62.1 | 88% | 0.875 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -21.6 | 176.3 | -64.9 | -175.4 | -179.6 | -178.5 | 1.4 | 113.9 | Y66 | Y66-R68 PolarHBondContact O-N 3.28Å; Y66-R68 VanDerWaalsContact O-N 3.13Å |
| 69 | L | 93 | Very high | 94.9 | Very high | 94 Ų | 94 | 59.2 Ų | 59.2 | 49% | 0.492 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -35.7 | -177.6 | -69.3 | 173.4 | 0 | 0 | 0 | 111.8 | Y66 P71 L72 | Y66-L69 HydrophobicContact CD1-CD1 3.97Å; Y66-L69 PolarHBondContact O-N 2.86Å; L69-P71 VanDerWaalsContact C-N 3.29Å; L69-L72 HydrophobicContact CD2-CD1 4.15Å; L69-L72 VanDerWaalsContact O-CB 3.25Å; L69-L72 WeakPolarHBondContact O-CB 3.25Å; L69-L72 WeakPolarHBondContact O-CG 3.38Å; L69-L72 PolarHBondContact O-N 2.88Å |
| 70 | R | 96 | Very high | 95 | Very high | 5 Ų | 5 | 59.2 Ų | 59.2 | 2% | 0.019 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -52 | -37.6 | 179.6 | -162.1 | -174.9 | -52.7 | 110.7 | 9.2 | 114.2 | T60 A61 Q63 Y66 D67 L72 S73 Y74 E102 | T60-R70 HydrophobicContact CG2-CG 4.13Å; A61-R70 PolarHBondContact O-NE 3.42Å; A61-R70 PolarHBondContact O-NH2 2.95Å; Q63-R70 PolarHBondContact O-NH2 2.71Å; Q63-R70 VanDerWaalsContact O-NH2 3.17Å; Y66-R70 PolarHBondContact O-N 3.26Å; D67-R70 IonicContact OD1-CZ 2.71Å; D67-R70 VanDerWaalsContact OD1-CZ 3.23Å; D67-R70 IonicContact OD1-NH1 3.93Å; D67-R70 PolarHBondContact OD1-NH1 2.9Å; D67-R70 IonicContact OD1-NH2 2.91Å; D67-R70 PolarHBondContact OD1-NH2 2.97Å; R70-L72 PolarHBondContact O-N 3.49Å; R70-L72 VanDerWaalsContact O-N 3.09Å; R70-S73 VanDerWaalsContact O-CB 3.31Å; R70-S73 WeakPolarHBondContact O-CB 3.4Å; R70-S73 PolarHBondContact O-N 2.92Å; R70-S73 PolarHBondContact O-OG 3.47Å; R70-Y74 WeakPolarHBondContact CD-OH 3.32Å; R70-E102 VanDerWaalsContact CD-OE1 3.23Å; R70-E102 WeakPolarHBondContact CD-OE1 3.31Å; R70-E102 IonicContact CZ-OE1 3.23Å; R70-E102 IonicContact NE-OE1 3.12Å; R70-E102 VanDerWaalsContact NH1-CD 3.28Å; R70-E102 IonicContact NH1-OE1 2.86Å; R70-E102 PolarHBondContact NH1-OE1 2.9Å; R70-E102 IonicContact NH1-OE2 2.71Å; R70-E102 PolarHBondContact NH1-OE2 2.89Å |
| 71 | P | 96.1 | Very high | 95.1 | Very high | 27 Ų | 27 | 59.1 Ų | 59.1 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -57.7 | -25.3 | 176.7 | -30.4 | 38.5 | 0 | 0 | 0 | 115.3 | D67 L69 S73 Y74 F106 | D67-P71 WeakPolarHBondContact O-CD 3.43Å; L69-P71 VanDerWaalsContact C-N 3.29Å; P71-S73 PolarHBondContact O-N 3.48Å; P71-Y74 HydrophobicContact CB-CD2 4.32Å; P71-Y74 PolarHBondContact O-N 2.86Å; P71-F106 HydrophobicContact CB-CD1 4.2Å; P71-F106 HydrophobicContact CB-CD2 4.42Å; P71-F106 HydrophobicContact CB-CE1 3.71Å; P71-F106 HydrophobicContact CB-CE2 3.95Å; P71-F106 HydrophobicContact CB-CZ 3.57Å; P71-F106 HydrophobicContact CG-CD2 4.42Å; P71-F106 HydrophobicContact CG-CE1 4.2Å; P71-F106 HydrophobicContact CG-CE2 3.65Å; P71-F106 HydrophobicContact CG-CZ 3.53Å |
| 72 | L | 94.9 | Very high | 95.4 | Very high | 124 Ų | 124 | 59 Ų | 59 | 65% | 0.649 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -66.1 | -18.6 | 176.9 | -56.2 | 177.6 | 0 | 0 | 0 | 112.3 | L69 R70 P75 | L69-L72 HydrophobicContact CD2-CD1 4.15Å; L69-L72 VanDerWaalsContact O-CB 3.25Å; L69-L72 WeakPolarHBondContact O-CB 3.25Å; L69-L72 WeakPolarHBondContact O-CG 3.38Å; L69-L72 PolarHBondContact O-N 2.88Å; R70-L72 PolarHBondContact O-N 3.49Å; R70-L72 VanDerWaalsContact O-N 3.09Å; L72-P75 WeakPolarHBondContact O-CD 3.45Å |
| 73 | S | 96.4 | Very high | 95.7 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 4% | 0.035 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -82.6 | -18.1 | 178 | -53.1 | 0 | 0 | 0 | 0 | 113.5 | K7 V9 F39 R70 P71 | K7-S73 WeakPolarHBondContact CE-O 3.32Å; K7-S73 PolarHBondContact NZ-O 3.3Å; V9-S73 WeakPolarHBondContact CG2-O 3.41Å; F39-S73 WeakPolarHBondContact CD2-OG 3.35Å; F39-S73 WeakPolarHBondContact CE2-OG 3.34Å; R70-S73 VanDerWaalsContact O-CB 3.31Å; R70-S73 WeakPolarHBondContact O-CB 3.4Å; R70-S73 PolarHBondContact O-N 2.92Å; R70-S73 PolarHBondContact O-OG 3.47Å; P71-S73 PolarHBondContact O-N 3.48Å |
| 74 | Y | 97.7 | Very high | 96.1 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 3% | 0.027 | 28% | 0.279 | C | S | . | . | trans | -80 | -26.8 | -172.2 | -64.2 | -41 | 0 | 0 | 0 | 118.6 | V9 V11 R70 P71 D76 T77 I80 E102 F106 | V9-Y74 HydrophobicContact CG1-CD1 4.07Å; V9-Y74 HydrophobicContact CG1-CE1 3.94Å; V11-Y74 HydrophobicContact CG1-CE1 3.84Å; R70-Y74 WeakPolarHBondContact CD-OH 3.32Å; P71-Y74 HydrophobicContact CB-CD2 4.32Å; P71-Y74 PolarHBondContact O-N 2.86Å; Y74-D76 PolarHBondContact O-N 3.26Å; Y74-T77 WeakPolarHBondContact O-CB 3.18Å; Y74-T77 PolarHBondContact O-N 3.49Å; Y74-T77 PolarHBondContact O-OG1 2.84Å; Y74-I80 HydrophobicContact CD1-CD1 4.41Å; Y74-I80 HydrophobicContact CE1-CD1 4.46Å; Y74-E102 HydrophobicContact CE2-CG 4.27Å; Y74-E102 PolarHBondContact OH-OE1 3.23Å; Y74-F106 HydrophobicContact CD2-CB 3.27Å; Y74-F106 HydrophobicContact CD2-CD1 4.28Å; Y74-F106 AromaticContact CD2-CD2 3.6Å; Y74-F106 HydrophobicContact CD2-CD2 3.6Å; Y74-F106 AromaticContact CD2-CG 3.46Å; Y74-F106 HydrophobicContact CD2-CG 3.46Å; Y74-F106 VanDerWaalsContact CD2-CG 3.46Å; Y74-F106 HydrophobicContact CE2-CB 3.98Å; Y74-F106 AromaticContact CE2-CD2 3.56Å; Y74-F106 HydrophobicContact CE2-CD2 3.56Å; Y74-F106 HydrophobicContact CE2-CE2 4.32Å; Y74-F106 AromaticContact CE2-CG 3.95Å; Y74-F106 HydrophobicContact CE2-CG 3.95Å; Y74-F106 HydrophobicContact CG-CB 3.85Å; Y74-F106 HydrophobicContact CG-CG 4.46Å | ||
| 75 | P | 97 | Very high | 96.5 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 49% | 0.487 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 135.7 | -179.7 | -29.8 | 36.5 | 0 | 0 | 0 | 112.5 | K7 L72 T77 | K7-P75 WeakPolarHBondContact CE-O 3.48Å; K7-P75 PolarHBondContact NZ-O 3.38Å; L72-P75 WeakPolarHBondContact O-CD 3.45Å; P75-T77 PolarHBondContact O-N 2.86Å |
| 76 | D | 95.9 | Very high | 96.8 | Very high | 148 Ų | 148 | 42.6 Ų | 42.6 | 79% | 0.791 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | 23.7 | 178.4 | -53.2 | -52 | 0 | 0 | 0 | 115.9 | Y74 | Y74-D76 PolarHBondContact O-N 3.26Š|
| 77 | T | 98.2 | Very high | 97.1 | Very high | 14 Ų | 14 | 41.2 Ų | 41.2 | 9% | 0.086 | 21% | 0.208 | C | C | . | . | trans | -68.1 | 132.6 | 176.7 | -57.1 | 0 | 0 | 0 | 0 | 112 | V9 Y74 P75 V79 I80 V110 | V9-T77 HydrophobicContact CB-CG2 4.04Å; V9-T77 HydrophobicContact CG2-CG2 3.74Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.31Å; Y74-T77 WeakPolarHBondContact O-CB 3.18Å; Y74-T77 PolarHBondContact O-N 3.49Å; Y74-T77 PolarHBondContact O-OG1 2.84Å; P75-T77 PolarHBondContact O-N 2.86Å; T77-V79 WeakPolarHBondContact CG2-O 3.26Å; T77-I80 HydrophobicContact CG2-CD1 3.76Å; T77-I80 HydrophobicContact CG2-CG1 4.31Å; T77-V110 HydrophobicContact CG2-CG1 4.03Å; T77-V110 WeakPolarHBondContact O-CG2 3.43Å | ||
| 78 | D | 98.3 | Very high | 97.3 | Very high | 42 Ų | 42 | 40.6 Ų | 40.6 | 23% | 0.225 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -95.3 | -26.9 | 177 | -70.4 | -82.8 | 0 | 0 | 0 | 113.4 | K6 K7 P111 A178 | K6-D78 WeakPolarHBondContact CA-OD2 3.38Å; K6-D78 HydrophobicContact CD-CB 3.73Å; K6-D78 WeakPolarHBondContact CD-OD1 3.43Å; K6-D78 WeakPolarHBondContact CD-OD2 3.4Å; K6-D78 IonicContact NZ-OD1 2.73Å; K6-D78 PolarHBondContact NZ-OD1 3.3Å; K7-D78 PolarHBondContact N-OD2 2.8Å; K7-D78 WeakPolarHBondContact O-CB 3.36Å; K7-D78 PolarHBondContact O-N 3.47Å; D78-P111 WeakPolarHBondContact O-CD 3.5Å; D78-A178 HydrophobicContact CB-CB 4.07Å |
| 79 | V | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 146.6 | 177.6 | 60.6 | 0 | 0 | 0 | 0 | 111.2 | K7 L8 V9 T77 P111 I113 A174 A177 A178 | K7-V79 PolarHBondContact O-N 2.99Å; L8-V79 WeakPolarHBondContact CA-O 3.43Å; L8-V79 HydrophobicContact CB-CG1 3.88Å; L8-V79 HydrophobicContact CD1-CG1 4.06Å; L8-V79 HydrophobicContact CG-CG1 3.95Å; V9-V79 PolarHBondContact N-O 2.82Å; V9-V79 VanDerWaalsContact N-O 3.16Å; T77-V79 WeakPolarHBondContact CG2-O 3.26Å; V79-P111 HydrophobicContact CB-CG 4.33Å; V79-P111 HydrophobicContact CG2-CG 4.25Å; V79-I113 HydrophobicContact CG2-CG1 4.21Å; V79-A174 HydrophobicContact CG1-CB 4.24Å; V79-A174 HydrophobicContact CG2-CB 3.97Å; V79-A177 HydrophobicContact CG2-CB 4.42Å; V79-A178 HydrophobicContact CB-CB 3.98Å; V79-A178 HydrophobicContact CG1-CB 3.96Å |
| 80 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 131.2 | 175.2 | -61.8 | -72.2 | 0 | 0 | 0 | 109.7 | V9 V11 Y74 T77 M82 V103 V110 P111 I112 I113 | V9-I80 HydrophobicContact CB-CD1 3.96Å; V9-I80 HydrophobicContact CG1-CD1 4.44Å; V9-I80 WeakPolarHBondContact O-CA 3.38Å; V11-I80 HydrophobicContact CG2-CG2 4Å; Y74-I80 HydrophobicContact CD1-CD1 4.41Å; Y74-I80 HydrophobicContact CE1-CD1 4.46Å; T77-I80 HydrophobicContact CG2-CD1 3.76Å; T77-I80 HydrophobicContact CG2-CG1 4.31Å; I80-M82 HydrophobicContact CG2-CB 4.32Å; I80-V103 HydrophobicContact CB-CG1 4.4Å; I80-V103 HydrophobicContact CD1-CG1 4.37Å; I80-V103 HydrophobicContact CG1-CG1 3.83Å; I80-V103 HydrophobicContact CG2-CG1 4.23Å; I80-V103 HydrophobicContact CG2-CG2 4.17Å; I80-V110 HydrophobicContact CG1-CB 4.46Å; I80-V110 HydrophobicContact CG1-CG1 3.86Å; I80-P111 PolarHBondContact N-O 2.69Å; I80-I112 HydrophobicContact CB-CG1 4.19Å; I80-I112 HydrophobicContact CG2-CG1 4.48Å; I80-I113 PolarHBondContact O-N 3.31Å |
| 81 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 116.8 | 157.4 | -66.1 | -170.8 | 0 | 0 | 0 | 108.2 | L8 V9 I10 V11 L21 I113 V115 V170 F171 A174 | L8-L81 HydrophobicContact CD1-CD1 4.01Å; L8-L81 HydrophobicContact CD1-CD2 4.46Å; L8-L81 HydrophobicContact CD1-CG 3.92Å; L8-L81 HydrophobicContact CD2-CB 4.49Å; L8-L81 HydrophobicContact CD2-CD1 3.89Å; L8-L81 HydrophobicContact CD2-CG 3.87Å; L8-L81 HydrophobicContact CG-CD1 4.41Å; L8-L81 HydrophobicContact CG-CG 4.08Å; V9-L81 PolarHBondContact O-N 3.29Å; I10-L81 CarbonylContact C-O 3.59Å; I10-L81 WeakPolarHBondContact CA-O 3.18Å; I10-L81 HydrophobicContact CB-CB 4.18Å; I10-L81 HydrophobicContact CD1-CB 4.28Å; I10-L81 HydrophobicContact CD1-CD1 4.25Å; I10-L81 HydrophobicContact CG1-CB 3.85Å; V11-L81 PolarHBondContact N-O 3.43Å; L21-L81 HydrophobicContact CD2-CD1 4.34Å; L81-I113 HydrophobicContact CD2-CB 3.73Å; L81-I113 HydrophobicContact CD2-CG1 4.07Å; L81-I113 HydrophobicContact CD2-CG2 4.29Å; L81-V115 HydrophobicContact CD2-CG2 4.03Å; L81-V170 HydrophobicContact CD1-CG1 3.88Å; L81-V170 HydrophobicContact CD2-CG1 3.9Å; L81-F171 HydrophobicContact CD1-CE1 4.05Å; L81-F171 HydrophobicContact CD1-CZ 4.27Å; L81-A174 HydrophobicContact CD2-CB 3.77Å |
| 82 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 113.3 | 176.2 | -170.9 | 179.6 | -73.1 | 0 | 0 | 108.2 | V11 I80 I95 W99 V103 I112 I113 L114 V115 I151 | V11-M82 HydrophobicContact CG2-CB 4.3Å; V11-M82 HydrophobicContact CG2-CG 4.16Å; I80-M82 HydrophobicContact CG2-CB 4.32Å; M82-I95 HydrophobicContact CG-CD1 3.7Å; M82-I95 HydrophobicContact SD-CD1 4.05Å; M82-I95 HydrophobicContact SD-CG2 3.74Å; M82-W99 HydrophobicContact CE-CB 4.04Å; M82-W99 HydrophobicContact CG-CB 4.05Å; M82-W99 HydrophobicContact SD-CB 3.86Å; M82-V103 HydrophobicContact CE-CB 3.89Å; M82-V103 HydrophobicContact CE-CG1 4.33Å; M82-V103 HydrophobicContact CE-CG2 3.69Å; M82-I112 HydrophobicContact CB-CG2 3.69Å; M82-I112 HydrophobicContact CE-CD1 3.99Å; M82-I112 HydrophobicContact CE-CG2 4.07Å; M82-I112 HydrophobicContact SD-CG2 4.29Å; M82-I113 PolarHBondContact N-O 3.46Å; M82-L114 HydrophobicContact CB-CD1 4.49Å; M82-L114 HydrophobicContact CG-CD1 4.44Å; M82-L114 CarbonylContact O-C 3.56Å; M82-L114 WeakPolarHBondContact O-CA 3.21Å; M82-V115 PolarHBondContact O-N 3.22Å; M82-I151 HydrophobicContact SD-CD1 3.93Å |
| 83 | C | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 138.2 | -167.3 | -66 | 0 | 0 | 0 | 0 | 112.6 | I10 V11 G12 K18 V115 | I10-C83 VanDerWaalsContact CD1-SG 3.57Å; V11-C83 PolarHBondContact O-N 3.46Å; G12-C83 WeakPolarHBondContact CA-O 3.36Å; K18-C83 HydrophobicContact CG-CB 4.11Å; C83-V115 WeakPolarHBondContact CA-O 3.38Å |
| 84 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 171.9 | 161.4 | 71.5 | -86.4 | 0 | 0 | 0 | 108.6 | I86 S91 L92 I95 L114 V115 N117 V139 Y156 | F84-I86 HydrophobicContact CE2-CG1 4.23Å; F84-S91 WeakPolarHBondContact CB-O 3.37Å; F84-S91 WeakPolarHBondContact CB-OG 3.1Å; F84-L92 HydrophobicContact CD1-CD1 3.66Å; F84-L92 HydrophobicContact CD2-CB 3.99Å; F84-L92 HydrophobicContact CD2-CD1 4.02Å; F84-L92 HydrophobicContact CE1-CD1 3.58Å; F84-L92 HydrophobicContact CE2-CB 4.43Å; F84-L92 HydrophobicContact CE2-CD1 3.99Å; F84-L92 HydrophobicContact CG-CB 4.22Å; F84-L92 HydrophobicContact CG-CD1 3.87Å; F84-L92 HydrophobicContact CZ-CD1 3.74Å; F84-I95 HydrophobicContact CB-CD1 4.28Å; F84-I95 HydrophobicContact CB-CG1 4.32Å; F84-L114 HydrophobicContact CD1-CD1 4.02Å; F84-L114 HydrophobicContact CD1-CG 4.26Å; F84-L114 HydrophobicContact CE1-CD1 4.31Å; F84-L114 HydrophobicContact CE1-CD2 4.2Å; F84-L114 HydrophobicContact CE1-CG 4.04Å; F84-V115 WeakPolarHBondContact CD1-O 3.34Å; F84-V115 PolarHBondContact N-O 2.91Å; F84-N117 WeakPolarHBondContact O-CB 3.4Å; F84-N117 PolarHBondContact O-N 2.87Å; F84-V139 HydrophobicContact CD2-CG2 4.43Å; F84-V139 HydrophobicContact CE2-CB 3.99Å; F84-V139 HydrophobicContact CE2-CG1 3.71Å; F84-V139 HydrophobicContact CE2-CG2 4.1Å; F84-V139 HydrophobicContact CZ-CG1 4.13Å; F84-Y156 AromaticContact CE1-CE2 3.77Å; F84-Y156 HydrophobicContact CE1-CE2 3.77Å; F84-Y156 AromaticContact CZ-CE2 3.92Å; F84-Y156 HydrophobicContact CZ-CE2 3.92Å |
| 85 | S | 98.8 | Very high | 98.4 | Very high | 4 Ų | 4 | 30 Ų | 30 | 3% | 0.028 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 138.2 | 173.5 | 71.7 | 0 | 0 | 0 | 0 | 112.3 | D87 S88 S91 | S85-D87 WeakPolarHBondContact CB-OD1 3.3Å; S85-D87 PolarHBondContact O-N 3.15Å; S85-D87 PolarHBondContact OG-OD1 3.47Å; S85-S88 CarbonylContact O-C 3.52Å; S85-S88 PolarHBondContact O-N 2.8Å; S85-S88 VanDerWaalsContact O-O 3.12Å; S85-S88 WeakPolarHBondContact OG-CB 3.42Å; S85-S91 PolarHBondContact N-OG 3.09Å; S85-S91 PolarHBondContact O-OG 2.83Å |
| 86 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -26.6 | -175.8 | -74 | 161.5 | 0 | 0 | 0 | 112.1 | F84 S88 N117 K119 R122 P138 V139 E158 | F84-I86 HydrophobicContact CE2-CG1 4.23Å; I86-S88 VanDerWaalsContact C-N 3.28Å; I86-N117 WeakPolarHBondContact CB-O 3.15Å; I86-N117 WeakPolarHBondContact CG1-O 3.14Å; I86-N117 PolarHBondContact N-O 2.85Å; I86-K119 VanDerWaalsContact CD1-CA 3.43Å; I86-K119 HydrophobicContact CD1-CB 3.78Å; I86-K119 HydrophobicContact CD1-CG 4.23Å; I86-R122 VanDerWaalsContact CD1-NH2 3.26Å; I86-R122 HydrophobicContact CG2-CB 3.86Å; I86-R122 HydrophobicContact CG2-CG 4.39Å; I86-P138 HydrophobicContact CG2-CB 4.11Å; I86-P138 CarbonylContact O-C 3.55Å; I86-P138 VanDerWaalsContact O-CA 3.28Å; I86-P138 WeakPolarHBondContact O-CA 3.44Å; I86-V139 PolarHBondContact O-N 2.9Å; I86-E158 HydrophobicContact CD1-CB 4.34Å; I86-E158 HydrophobicContact CD1-CG 4.19Å |
| 87 | D | 98.5 | Very high | 98.5 | Very high | 37 Ų | 37 | 27.5 Ų | 27.5 | 20% | 0.198 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 2.4 | 174.6 | 67.5 | -28.7 | 0 | 0 | 0 | 114.1 | S85 K118 L121 T127 | S85-D87 WeakPolarHBondContact CB-OD1 3.3Å; S85-D87 PolarHBondContact O-N 3.15Å; S85-D87 PolarHBondContact OG-OD1 3.47Å; D87-K118 WeakPolarHBondContact OD1-CD 3.29Å; D87-K118 IonicContact OD1-NZ 3.53Å; D87-K118 PolarHBondContact OD1-NZ 3.45Å; D87-K118 VanDerWaalsContact OD1-NZ 3.12Å; D87-K118 IonicContact OD2-NZ 2.85Å; D87-K118 PolarHBondContact OD2-NZ 3.42Å; D87-L121 HydrophobicContact CB-CB 4.09Å; D87-L121 HydrophobicContact CB-CD1 3.78Å; D87-L121 VanDerWaalsContact OD2-CD1 3.31Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.41Å; D87-T127 HydrophobicContact CB-CG2 3.65Å |
| 88 | S | 98.4 | Very high | 98.5 | Very high | 38 Ų | 38 | 28.9 Ų | 28.9 | 27% | 0.266 | 15% | 0.15 | S | C | . | . | trans | -138.1 | 91.2 | 179.7 | -180 | 0 | 0 | 0 | 0 | 110.7 | S85 I86 D90 S91 | S85-S88 CarbonylContact O-C 3.52Å; S85-S88 PolarHBondContact O-N 2.8Å; S85-S88 VanDerWaalsContact O-O 3.12Å; S85-S88 WeakPolarHBondContact OG-CB 3.42Å; I86-S88 VanDerWaalsContact C-N 3.28Å; S88-D90 VanDerWaalsContact C-N 3.25Å; S88-D90 PolarHBondContact O-N 3.22Å; S88-S91 WeakPolarHBondContact O-CB 3.49Å; S88-S91 PolarHBondContact O-N 3.31Å; S88-S91 PolarHBondContact O-OG 2.88Å | ||
| 89 | P | 98.3 | Very high | 98.5 | Very high | 19 Ų | 19 | 26.9 Ų | 26.9 | 12% | 0.123 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55 | -38.9 | 176.8 | -29.6 | 39.6 | 0 | 0 | 0 | 113.5 | S91 L92 E93 L131 Q136 E137 V139 | P89-S91 PolarHBondContact O-N 2.81Å; P89-L92 WeakPolarHBondContact O-CA 3.48Å; P89-L92 VanDerWaalsContact O-CB 3.31Å; P89-L92 WeakPolarHBondContact O-CB 3.28Å; P89-L92 PolarHBondContact O-N 3.41Å; P89-E93 PolarHBondContact O-N 2.96Å; P89-E93 VanDerWaalsContact O-N 3.16Å; P89-L131 HydrophobicContact CG-CD2 4.45Å; P89-Q136 HydrophobicContact CG-CB 4.25Å; P89-E137 WeakPolarHBondContact CG-O 3.16Å; P89-V139 HydrophobicContact CB-CG2 4.39Å; P89-V139 HydrophobicContact CG-CG2 4.36Å |
| 90 | D | 98.1 | Very high | 98.5 | Very high | 77 Ų | 77 | 27.4 Ų | 27.4 | 41% | 0.412 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -54.9 | -37.4 | 175.6 | -56.1 | -3.7 | 0 | 0 | 0 | 111.9 | S88 L92 E93 N94 Q136 | S88-D90 VanDerWaalsContact C-N 3.25Å; S88-D90 PolarHBondContact O-N 3.22Å; D90-L92 PolarHBondContact O-N 2.92Å; D90-E93 PolarHBondContact O-N 2.65Å; D90-E93 VanDerWaalsContact O-N 3.09Å; D90-N94 VanDerWaalsContact O-CG 3.29Å; D90-N94 PolarHBondContact O-N 2.74Å; D90-N94 PolarHBondContact O-ND2 2.87Å; D90-Q136 PolarHBondContact OD1-NE2 3.2Å |
| 91 | S | 98.7 | Very high | 98.5 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.014 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.4 | -23.9 | 178.5 | 75.5 | 0 | 0 | 0 | 0 | 113.6 | D13 F84 S85 S88 P89 | D13-S91 VanDerWaalsContact OD2-CA 3.29Å; D13-S91 WeakPolarHBondContact OD2-CA 3.35Å; D13-S91 WeakPolarHBondContact OD2-CB 3.26Å; F84-S91 WeakPolarHBondContact CB-O 3.37Å; F84-S91 WeakPolarHBondContact CB-OG 3.1Å; S85-S91 PolarHBondContact N-OG 3.09Å; S85-S91 PolarHBondContact O-OG 2.83Å; S88-S91 WeakPolarHBondContact O-CB 3.49Å; S88-S91 PolarHBondContact O-N 3.31Å; S88-S91 PolarHBondContact O-OG 2.88Å; P89-S91 PolarHBondContact O-N 2.81Å |
| 92 | L | 98.8 | Very high | 98.4 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 7% | 0.068 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -76.4 | -41.3 | 169.5 | -177.3 | 71.1 | 0 | 0 | 0 | 110.6 | F84 P89 D90 N94 I95 V139 E143 M147 | F84-L92 HydrophobicContact CD1-CD1 3.66Å; F84-L92 HydrophobicContact CD2-CB 3.99Å; F84-L92 HydrophobicContact CD2-CD1 4.02Å; F84-L92 HydrophobicContact CE1-CD1 3.58Å; F84-L92 HydrophobicContact CE2-CB 4.43Å; F84-L92 HydrophobicContact CE2-CD1 3.99Å; F84-L92 HydrophobicContact CG-CB 4.22Å; F84-L92 HydrophobicContact CG-CD1 3.87Å; F84-L92 HydrophobicContact CZ-CD1 3.74Å; P89-L92 WeakPolarHBondContact O-CA 3.48Å; P89-L92 VanDerWaalsContact O-CB 3.31Å; P89-L92 WeakPolarHBondContact O-CB 3.28Å; P89-L92 PolarHBondContact O-N 3.41Å; D90-L92 PolarHBondContact O-N 2.92Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 3.2Å; L92-I95 HydrophobicContact CD1-CG1 4.45Å; L92-I95 WeakPolarHBondContact O-CB 3.27Å; L92-I95 VanDerWaalsContact O-CG1 3.3Å; L92-I95 WeakPolarHBondContact O-CG1 3.13Å; L92-I95 PolarHBondContact O-N 2.99Å; L92-I95 VanDerWaalsContact O-N 3.1Å; L92-V139 HydrophobicContact CB-CG2 4.36Å; L92-V139 HydrophobicContact CD2-CG1 3.74Å; L92-V139 HydrophobicContact CD2-CG2 4.32Å; L92-E143 HydrophobicContact CD2-CB 4.12Å; L92-M147 HydrophobicContact CD1-CB 3.84Å; L92-M147 HydrophobicContact CD1-CE 4.48Å; L92-M147 HydrophobicContact CD1-CG 3.78Å; L92-M147 HydrophobicContact CG-CB 4.47Å; L92-M147 HydrophobicContact CG-CE 4.1Å; L92-M147 HydrophobicContact CG-CG 4.39Å |
| 93 | E | 98.4 | Very high | 98.4 | Very high | 113 Ų | 113 | 32.2 Ų | 32.2 | 53% | 0.528 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.5 | -34.2 | 177.8 | -64.4 | -175.4 | 173 | 0 | 0 | 112.1 | P89 D90 I95 P96 | P89-E93 PolarHBondContact O-N 2.96Å; P89-E93 VanDerWaalsContact O-N 3.16Å; D90-E93 PolarHBondContact O-N 2.65Å; D90-E93 VanDerWaalsContact O-N 3.09Å; E93-I95 PolarHBondContact O-N 2.73Å; E93-P96 WeakPolarHBondContact O-CD 3.38Å; E93-P96 WeakPolarHBondContact O-CG 3.18Å |
| 94 | N | 98.6 | Very high | 98.4 | Very high | 49 Ų | 49 | 37.3 Ų | 37.3 | 26% | 0.262 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67.2 | -16.1 | 175.3 | -71.2 | -26.7 | 0 | 0 | 0 | 114 | D13 D90 L92 E97 K98 W99 | D13-N94 PolarHBondContact OD2-ND2 2.86Å; D90-N94 VanDerWaalsContact O-CG 3.29Å; D90-N94 PolarHBondContact O-N 2.74Å; D90-N94 PolarHBondContact O-ND2 2.87Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 3.2Å; N94-E97 PolarHBondContact O-N 2.85Å; N94-K98 WeakPolarHBondContact O-CB 3.5Å; N94-K98 PolarHBondContact O-N 2.89Å; N94-W99 PolarHBondContact O-N 2.83Å |
| 95 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.224 | C | C | . | . | I | π-helix | trans | -58.8 | -56.9 | -179.4 | -66 | -70.4 | 0 | 0 | 0 | 112.1 | M82 F84 L92 E93 W99 T100 L114 M147 I151 | M82-I95 HydrophobicContact CG-CD1 3.7Å; M82-I95 HydrophobicContact SD-CD1 4.05Å; M82-I95 HydrophobicContact SD-CG2 3.74Å; F84-I95 HydrophobicContact CB-CD1 4.28Å; F84-I95 HydrophobicContact CB-CG1 4.32Å; L92-I95 HydrophobicContact CD1-CG1 4.45Å; L92-I95 WeakPolarHBondContact O-CB 3.27Å; L92-I95 VanDerWaalsContact O-CG1 3.3Å; L92-I95 WeakPolarHBondContact O-CG1 3.13Å; L92-I95 PolarHBondContact O-N 2.99Å; L92-I95 VanDerWaalsContact O-N 3.1Å; E93-I95 PolarHBondContact O-N 2.73Å; I95-W99 PolarHBondContact O-N 3.16Å; I95-T100 VanDerWaalsContact O-CB 3.26Å; I95-T100 WeakPolarHBondContact O-CB 3.31Å; I95-T100 PolarHBondContact O-N 2.73Å; I95-T100 PolarHBondContact O-OG1 3.36Å; I95-L114 HydrophobicContact CD1-CD1 3.79Å; I95-L114 HydrophobicContact CG1-CD1 4.1Å; I95-L114 HydrophobicContact CG2-CD1 3.98Å; I95-M147 HydrophobicContact CB-CG 4.26Å; I95-M147 HydrophobicContact CB-SD 4.46Å; I95-M147 HydrophobicContact CG2-CG 3.93Å; I95-M147 HydrophobicContact CG2-SD 4.26Å; I95-I151 HydrophobicContact CG2-CD1 3.81Å; I95-I151 HydrophobicContact CG2-CG2 4.02Å |
| 96 | P | 98.4 | Very high | 98.3 | Very high | 26 Ų | 26 | 48 Ų | 48 | 17% | 0.169 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -74.5 | -24.5 | 177.6 | 28.4 | -37 | 0 | 0 | 0 | 113.4 | E93 P101 M147 I151 | E93-P96 WeakPolarHBondContact O-CD 3.38Å; E93-P96 WeakPolarHBondContact O-CG 3.18Å; P96-P101 VanDerWaalsContact O-CD 3.25Å; P96-P101 WeakPolarHBondContact O-CD 3.39Å; P96-M147 HydrophobicContact CB-SD 4.42Å; P96-M147 VanDerWaalsContact CD-SD 3.57Å; P96-M147 HydrophobicContact CG-CE 3.88Å; P96-M147 HydrophobicContact CG-SD 3.89Å; P96-I151 HydrophobicContact CB-CG2 4.42Å |
| 97 | E | 97.3 | Very high | 98.2 | Very high | 144 Ų | 144 | 48.3 Ų | 48.3 | 67% | 0.673 | 24% | 0.244 | S | C | * | . | I | π-helix | trans | -83.6 | -38.7 | -173.7 | -63.4 | -170.7 | 173.2 | 0 | 0 | 113.1 | N94 | N94-E97 PolarHBondContact O-N 2.85Å |
| 98 | K | 97.4 | Very high | 98 | Very high | 43 Ų | 43 | 50.7 Ų | 50.7 | 19% | 0.187 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -116.9 | -60.1 | -175.7 | 179.7 | 175.7 | -178.3 | 167.1 | 0 | 112.5 | E64 D67 N94 P101 E102 | E64-K98 VanDerWaalsContact CG-NZ 3.33Å; D67-K98 IonicContact OD1-NZ 2.73Å; D67-K98 PolarHBondContact OD1-NZ 3.1Å; D67-K98 IonicContact OD2-NZ 3.73Å; N94-K98 WeakPolarHBondContact O-CB 3.5Å; N94-K98 PolarHBondContact O-N 2.89Å; K98-P101 WeakPolarHBondContact O-CD 3.23Å; K98-E102 WeakPolarHBondContact O-CB 3.32Å; K98-E102 PolarHBondContact O-N 3.37Å |
| 99 | W | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -71.6 | -38.8 | -166.5 | -62.1 | 110.4 | 0 | 0 | 0 | 113.2 | V11 G12 D13 M82 N94 I95 V103 | V11-W99 HydrophobicContact CB-CE3 3.86Å; V11-W99 HydrophobicContact CB-CZ3 4.06Å; V11-W99 HydrophobicContact CG2-CE3 4.19Å; G12-W99 WeakPolarHBondContact O-CH2 3.43Å; G12-W99 WeakPolarHBondContact O-CZ2 3.07Å; D13-W99 PolarHBondContact OD1-NE1 3.08Å; M82-W99 HydrophobicContact CE-CB 4.04Å; M82-W99 HydrophobicContact CG-CB 4.05Å; M82-W99 HydrophobicContact SD-CB 3.86Å; N94-W99 PolarHBondContact O-N 2.83Å; I95-W99 PolarHBondContact O-N 3.16Å; W99-V103 WeakPolarHBondContact O-CB 3.32Å; W99-V103 VanDerWaalsContact O-CG2 3.31Å; W99-V103 WeakPolarHBondContact O-CG2 3.25Å; W99-V103 PolarHBondContact O-N 2.95Å |
| 100 | T | 98.5 | Very high | 97.7 | Very high | 11 Ų | 11 | 56.5 Ų | 56.5 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.9 | -49.3 | 179.5 | -60.1 | 0 | 0 | 0 | 0 | 112 | I95 E102 K104 I151 | I95-T100 VanDerWaalsContact O-CB 3.26Å; I95-T100 WeakPolarHBondContact O-CB 3.31Å; I95-T100 PolarHBondContact O-N 2.73Å; I95-T100 PolarHBondContact O-OG1 3.36Å; T100-E102 PolarHBondContact O-N 2.9Å; T100-K104 HydrophobicContact CG2-CD 3.87Å; T100-K104 HydrophobicContact CG2-CG 4.3Å; T100-K104 VanDerWaalsContact O-CB 3.31Å; T100-K104 WeakPolarHBondContact O-CB 3.05Å; T100-K104 WeakPolarHBondContact O-CG 3.48Å; T100-K104 PolarHBondContact O-N 3.2Å; T100-I151 HydrophobicContact CG2-CB 4.1Å; T100-I151 HydrophobicContact CG2-CG2 4.25Å; T100-I151 WeakPolarHBondContact OG1-CG2 3.43Å |
| 101 | P | 98.3 | Very high | 97.7 | Very high | 70 Ų | 70 | 53.9 Ų | 53.9 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 174 | -27.9 | 35.5 | 0 | 0 | 0 | 113.3 | P96 K98 K104 H105 | P96-P101 VanDerWaalsContact O-CD 3.25Å; P96-P101 WeakPolarHBondContact O-CD 3.39Å; K98-P101 WeakPolarHBondContact O-CD 3.23Å; P101-K104 PolarHBondContact O-N 3.31Å; P101-H105 WeakPolarHBondContact O-CB 3.3Å; P101-H105 PolarHBondContact O-N 3.19Å |
| 102 | E | 98.4 | Very high | 97.7 | Very high | 30 Ų | 30 | 54.3 Ų | 54.3 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -52.2 | 179.7 | -176.4 | 173.1 | 101.4 | 0 | 0 | 111.7 | R70 Y74 K98 T100 K104 H105 F106 | R70-E102 VanDerWaalsContact CD-OE1 3.23Å; R70-E102 WeakPolarHBondContact CD-OE1 3.31Å; R70-E102 IonicContact CZ-OE1 3.23Å; R70-E102 IonicContact NE-OE1 3.12Å; R70-E102 VanDerWaalsContact NH1-CD 3.28Å; R70-E102 IonicContact NH1-OE1 2.86Å; R70-E102 PolarHBondContact NH1-OE1 2.9Å; R70-E102 IonicContact NH1-OE2 2.71Å; R70-E102 PolarHBondContact NH1-OE2 2.89Å; Y74-E102 HydrophobicContact CE2-CG 4.27Å; Y74-E102 PolarHBondContact OH-OE1 3.23Å; K98-E102 WeakPolarHBondContact O-CB 3.32Å; K98-E102 PolarHBondContact O-N 3.37Å; T100-E102 PolarHBondContact O-N 2.9Å; E102-K104 PolarHBondContact O-N 2.81Å; E102-H105 WeakPolarHBondContact O-CB 3.42Å; E102-H105 PolarHBondContact O-N 3.16Å; E102-F106 HydrophobicContact CG-CD2 4.14Å; E102-F106 HydrophobicContact CG-CE2 4.23Å; E102-F106 WeakPolarHBondContact O-CD2 3.48Å; E102-F106 PolarHBondContact O-N 3.1Å; E102-F106 VanDerWaalsContact O-N 3.15Å |
| 103 | V | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 179.4 | 170.2 | 0 | 0 | 0 | 0 | 111.3 | V11 I80 M82 W99 H105 F106 C107 I112 | V11-V103 HydrophobicContact CG2-CG2 3.86Å; I80-V103 HydrophobicContact CB-CG1 4.4Å; I80-V103 HydrophobicContact CD1-CG1 4.37Å; I80-V103 HydrophobicContact CG1-CG1 3.83Å; I80-V103 HydrophobicContact CG2-CG1 4.23Å; I80-V103 HydrophobicContact CG2-CG2 4.17Å; M82-V103 HydrophobicContact CE-CB 3.89Å; M82-V103 HydrophobicContact CE-CG1 4.33Å; M82-V103 HydrophobicContact CE-CG2 3.69Å; W99-V103 WeakPolarHBondContact O-CB 3.32Å; W99-V103 VanDerWaalsContact O-CG2 3.31Å; W99-V103 WeakPolarHBondContact O-CG2 3.25Å; W99-V103 PolarHBondContact O-N 2.95Å; V103-H105 VanDerWaalsContact C-N 3.26Å; V103-H105 PolarHBondContact O-N 2.93Å; V103-F106 PolarHBondContact O-N 3.38Å; V103-C107 HydrophobicContact CG1-CB 4.17Å; V103-C107 CarbonylContact O-C 3.56Å; V103-C107 VanDerWaalsContact O-CA 3.24Å; V103-C107 WeakPolarHBondContact O-CA 3.22Å; V103-C107 VanDerWaalsContact O-CB 3.24Å; V103-C107 WeakPolarHBondContact O-CB 3.35Å; V103-C107 PolarHBondContact O-N 2.93Å; V103-I112 HydrophobicContact CG1-CD1 3.77Å; V103-I112 HydrophobicContact CG1-CG1 4Å |
| 104 | K | 97.4 | Very high | 97.7 | Very high | 106 Ų | 106 | 48.3 Ų | 48.3 | 46% | 0.461 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.7 | -27.3 | 178.1 | -73.8 | -174.1 | 177.9 | 175.8 | 0 | 112.6 | T100 P101 E102 P108 I151 | T100-K104 HydrophobicContact CG2-CD 3.87Å; T100-K104 HydrophobicContact CG2-CG 4.3Å; T100-K104 VanDerWaalsContact O-CB 3.31Å; T100-K104 WeakPolarHBondContact O-CB 3.05Å; T100-K104 WeakPolarHBondContact O-CG 3.48Å; T100-K104 PolarHBondContact O-N 3.2Å; P101-K104 PolarHBondContact O-N 3.31Å; E102-K104 PolarHBondContact O-N 2.81Å; K104-P108 WeakPolarHBondContact O-CA 3.41Å; K104-P108 WeakPolarHBondContact O-CB 3.33Å; K104-I151 PolarHBondContact NZ-O 2.82Å |
| 105 | H | 97.8 | Very high | 97.7 | Very high | 139 Ų | 139 | 46 Ų | 46 | 64% | 0.644 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -69.6 | -50.5 | 174.8 | -177.8 | 74.7 | 0 | 0 | 0 | 112 | P101 E102 V103 | P101-H105 WeakPolarHBondContact O-CB 3.3Å; P101-H105 PolarHBondContact O-N 3.19Å; E102-H105 WeakPolarHBondContact O-CB 3.42Å; E102-H105 PolarHBondContact O-N 3.16Å; V103-H105 VanDerWaalsContact C-N 3.26Å; V103-H105 PolarHBondContact O-N 2.93Å |
| 106 | F | 97.9 | Very high | 97.7 | Very high | 90 Ų | 90 | 46 Ų | 46 | 40% | 0.395 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -88.6 | -25.5 | -175 | -66.7 | -71.7 | 0 | 0 | 0 | 114.3 | P71 Y74 E102 V103 P108 | P71-F106 HydrophobicContact CB-CD1 4.2Å; P71-F106 HydrophobicContact CB-CD2 4.42Å; P71-F106 HydrophobicContact CB-CE1 3.71Å; P71-F106 HydrophobicContact CB-CE2 3.95Å; P71-F106 HydrophobicContact CB-CZ 3.57Å; P71-F106 HydrophobicContact CG-CD2 4.42Å; P71-F106 HydrophobicContact CG-CE1 4.2Å; P71-F106 HydrophobicContact CG-CE2 3.65Å; P71-F106 HydrophobicContact CG-CZ 3.53Å; Y74-F106 HydrophobicContact CD2-CB 3.27Å; Y74-F106 HydrophobicContact CD2-CD1 4.28Å; Y74-F106 AromaticContact CD2-CD2 3.6Å; Y74-F106 HydrophobicContact CD2-CD2 3.6Å; Y74-F106 AromaticContact CD2-CG 3.46Å; Y74-F106 HydrophobicContact CD2-CG 3.46Å; Y74-F106 VanDerWaalsContact CD2-CG 3.46Å; Y74-F106 HydrophobicContact CE2-CB 3.98Å; Y74-F106 AromaticContact CE2-CD2 3.56Å; Y74-F106 HydrophobicContact CE2-CD2 3.56Å; Y74-F106 HydrophobicContact CE2-CE2 4.32Å; Y74-F106 AromaticContact CE2-CG 3.95Å; Y74-F106 HydrophobicContact CE2-CG 3.95Å; Y74-F106 HydrophobicContact CG-CB 3.85Å; Y74-F106 HydrophobicContact CG-CG 4.46Å; E102-F106 HydrophobicContact CG-CD2 4.14Å; E102-F106 HydrophobicContact CG-CE2 4.23Å; E102-F106 WeakPolarHBondContact O-CD2 3.48Å; E102-F106 PolarHBondContact O-N 3.1Å; E102-F106 VanDerWaalsContact O-N 3.15Å; V103-F106 PolarHBondContact O-N 3.38Å; F106-P108 VanDerWaalsContact C-CD 3.49Å |
| 107 | C | 96.9 | Very high | 97.8 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 5% | 0.047 | 23% | 0.23 | C | C | . | . | trans | -131.4 | 53.6 | -172.6 | -65.9 | 0 | 0 | 0 | 0 | 112.3 | V103 N109 V110 | V103-C107 HydrophobicContact CG1-CB 4.17Å; V103-C107 CarbonylContact O-C 3.56Å; V103-C107 VanDerWaalsContact O-CA 3.24Å; V103-C107 WeakPolarHBondContact O-CA 3.22Å; V103-C107 VanDerWaalsContact O-CB 3.24Å; V103-C107 WeakPolarHBondContact O-CB 3.35Å; V103-C107 PolarHBondContact O-N 2.93Å; C107-N109 PolarHBondContact O-N 3.3Å; C107-V110 HydrophobicContact CB-CB 3.86Å; C107-V110 HydrophobicContact CB-CG2 3.67Å; C107-V110 PolarHBondContact O-N 3.09Å; C107-V110 VanDerWaalsContact O-N 3.11Å | ||
| 108 | P | 94.4 | Very high | 97.8 | Very high | 87 Ų | 87 | 40.6 Ų | 40.6 | 57% | 0.565 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -22.4 | -165.4 | 22.1 | -35 | 0 | 0 | 0 | 116.2 | K104 F106 | K104-P108 WeakPolarHBondContact O-CA 3.41Å; K104-P108 WeakPolarHBondContact O-CB 3.33Å; F106-P108 VanDerWaalsContact C-CD 3.49Å |
| 109 | N | 92.3 | Very high | 97.9 | Very high | 149 Ų | 149 | 41.7 Ų | 41.7 | 80% | 0.797 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -120.9 | 14 | -177.4 | -62.8 | -63.8 | 0 | 0 | 0 | 113 | C107 | C107-N109 PolarHBondContact O-N 3.3Š|
| 110 | V | 97.9 | Very high | 97.9 | Very high | 29 Ų | 29 | 44 Ų | 44 | 18% | 0.176 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -90.8 | 129.2 | -178.6 | -178 | 0 | 0 | 0 | 0 | 108.4 | T77 I80 C107 | T77-V110 HydrophobicContact CG2-CG1 4.03Å; T77-V110 WeakPolarHBondContact O-CG2 3.43Å; I80-V110 HydrophobicContact CG1-CB 4.46Å; I80-V110 HydrophobicContact CG1-CG1 3.86Å; C107-V110 HydrophobicContact CB-CB 3.86Å; C107-V110 HydrophobicContact CB-CG2 3.67Å; C107-V110 PolarHBondContact O-N 3.09Å; C107-V110 VanDerWaalsContact O-N 3.11Å |
| 111 | P | 98.3 | Very high | 97.9 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 14% | 0.143 | 23% | 0.23 | C | C | . | . | trans | -63.6 | 141.2 | 177.7 | 26.8 | -34.5 | 0 | 0 | 0 | 111.1 | D78 V79 I80 F154 A177 A181 | D78-P111 WeakPolarHBondContact O-CD 3.5Å; V79-P111 HydrophobicContact CB-CG 4.33Å; V79-P111 HydrophobicContact CG2-CG 4.25Å; I80-P111 PolarHBondContact N-O 2.69Å; P111-F154 HydrophobicContact CB-CB 4.18Å; P111-A177 HydrophobicContact CB-CB 3.99Å; P111-A177 HydrophobicContact CG-CB 4.01Å; P111-A181 HydrophobicContact CG-CB 4.22Å | ||
| 112 | I | 98.8 | Very high | 97.8 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 129.1 | 177.9 | -60.3 | 168 | 0 | 0 | 0 | 108.5 | I80 M82 V103 I151 A153 F154 | I80-I112 HydrophobicContact CB-CG1 4.19Å; I80-I112 HydrophobicContact CG2-CG1 4.48Å; M82-I112 HydrophobicContact CB-CG2 3.69Å; M82-I112 HydrophobicContact CE-CD1 3.99Å; M82-I112 HydrophobicContact CE-CG2 4.07Å; M82-I112 HydrophobicContact SD-CG2 4.29Å; V103-I112 HydrophobicContact CG1-CD1 3.77Å; V103-I112 HydrophobicContact CG1-CG1 4Å; I112-I151 HydrophobicContact CG2-CD1 4.45Å; I112-A153 HydrophobicContact CG2-CB 4.49Å; I112-A153 CarbonylContact O-C 3.58Å; I112-A153 WeakPolarHBondContact O-CA 3.3Å; I112-A153 WeakPolarHBondContact O-CB 3.24Å; I112-F154 WeakPolarHBondContact O-CB 3.08Å; I112-F154 PolarHBondContact O-N 3.26Å |
| 113 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 121.5 | 162.7 | -48.9 | -53.2 | 0 | 0 | 0 | 107.2 | V79 I80 L81 M82 V115 F154 M173 A174 A177 | V79-I113 HydrophobicContact CG2-CG1 4.21Å; I80-I113 PolarHBondContact O-N 3.31Å; L81-I113 HydrophobicContact CD2-CB 3.73Å; L81-I113 HydrophobicContact CD2-CG1 4.07Å; L81-I113 HydrophobicContact CD2-CG2 4.29Å; M82-I113 PolarHBondContact N-O 3.46Å; I113-V115 HydrophobicContact CG2-CG2 4Å; I113-F154 HydrophobicContact CD1-CB 3.92Å; I113-F154 HydrophobicContact CD1-CD1 3.61Å; I113-F154 HydrophobicContact CD1-CG 4.14Å; I113-M173 HydrophobicContact CD1-CG 3.82Å; I113-M173 HydrophobicContact CD1-SD 4.04Å; I113-M173 HydrophobicContact CG1-CG 4.47Å; I113-M173 HydrophobicContact CG2-CG 4.49Å; I113-M173 HydrophobicContact CG2-SD 3.85Å; I113-A174 HydrophobicContact CG1-CB 3.97Å; I113-A177 HydrophobicContact CD1-CB 4.05Å |
| 114 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 129.9 | 171.1 | -175 | 68.7 | 0 | 0 | 0 | 108.7 | M82 F84 I95 G144 M147 A148 I151 A153 G155 Y156 M157 | M82-L114 HydrophobicContact CB-CD1 4.49Å; M82-L114 HydrophobicContact CG-CD1 4.44Å; M82-L114 CarbonylContact O-C 3.56Å; M82-L114 WeakPolarHBondContact O-CA 3.21Å; F84-L114 HydrophobicContact CD1-CD1 4.02Å; F84-L114 HydrophobicContact CD1-CG 4.26Å; F84-L114 HydrophobicContact CE1-CD1 4.31Å; F84-L114 HydrophobicContact CE1-CD2 4.2Å; F84-L114 HydrophobicContact CE1-CG 4.04Å; I95-L114 HydrophobicContact CD1-CD1 3.79Å; I95-L114 HydrophobicContact CG1-CD1 4.1Å; I95-L114 HydrophobicContact CG2-CD1 3.98Å; L114-G144 WeakPolarHBondContact CD2-O 3.43Å; L114-M147 HydrophobicContact CD2-CB 3.88Å; L114-M147 HydrophobicContact CD2-CG 3.9Å; L114-A148 HydrophobicContact CB-CB 4.15Å; L114-A148 HydrophobicContact CD2-CB 3.87Å; L114-I151 HydrophobicContact CD1-CD1 4.3Å; L114-A153 HydrophobicContact CB-CB 4.3Å; L114-G155 PolarHBondContact N-O 3.21Å; L114-Y156 HydrophobicContact CB-CD2 4.13Å; L114-Y156 HydrophobicContact CD2-CD2 4.03Å; L114-Y156 HydrophobicContact CD2-CE2 4.43Å; L114-Y156 HydrophobicContact CG-CD2 4.03Å; L114-Y156 HydrophobicContact CG-CE2 4.46Å; L114-Y156 WeakPolarHBondContact O-CA 3.49Å; L114-Y156 WeakPolarHBondContact O-CD2 3.2Å; L114-M157 PolarHBondContact O-N 2.92Å |
| 115 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119.6 | -175.2 | -174 | 0 | 0 | 0 | 0 | 110.8 | L21 L81 M82 C83 F84 I113 M157 V170 | L21-V115 HydrophobicContact CD2-CG1 4.2Å; L81-V115 HydrophobicContact CD2-CG2 4.03Å; M82-V115 PolarHBondContact O-N 3.22Å; C83-V115 WeakPolarHBondContact CA-O 3.38Å; F84-V115 WeakPolarHBondContact CD1-O 3.34Å; F84-V115 PolarHBondContact N-O 2.91Å; I113-V115 HydrophobicContact CG2-CG2 4Å; V115-M157 CarbonylContact C-O 3.39Å; V115-M157 VanDerWaalsContact CA-O 3.29Å; V115-M157 WeakPolarHBondContact CA-O 3.42Å; V115-V170 HydrophobicContact CG1-CG1 4.35Å; V115-V170 HydrophobicContact CG1-CG2 3.98Å; V115-V170 HydrophobicContact CG2-CG1 3.82Å; V115-V170 HydrophobicContact CG2-CG2 4.45Å |
| 116 | G | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 105.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | M157 E158 C159 | G116-M157 PolarHBondContact N-O 3.08Å; G116-E158 VanDerWaalsContact O-CA 3.28Å; G116-E158 WeakPolarHBondContact O-CA 3.23Å; G116-C159 PolarHBondContact O-N 3.27Å |
| 117 | N | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 47.2 Ų | 47.2 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 166.6 | 178.9 | -75.2 | -25.7 | 0 | 0 | 0 | 112.4 | C16 F84 I86 K119 C159 | C16-N117 WeakPolarHBondContact O-CB 3.32Å; C16-N117 PolarHBondContact O-ND2 2.95Å; F84-N117 WeakPolarHBondContact O-CB 3.4Å; F84-N117 PolarHBondContact O-N 2.87Å; I86-N117 WeakPolarHBondContact CB-O 3.15Å; I86-N117 WeakPolarHBondContact CG1-O 3.14Å; I86-N117 PolarHBondContact N-O 2.85Å; N117-K119 VanDerWaalsContact C-N 3.32Å; N117-K119 PolarHBondContact O-N 3.22Å; N117-C159 CarbonylContact C-O 3.44Å; N117-C159 PolarHBondContact OD1-SG 3.09Å; N117-C159 VanDerWaalsContact OD1-SG 3.32Å |
| 118 | K | 98.4 | Very high | 97.8 | Very high | 54 Ų | 54 | 52.7 Ų | 52.7 | 24% | 0.235 | 26% | 0.263 | C | S | . | . | trans | 59 | 40.3 | 176.2 | -43.9 | -171.5 | -156 | 158.6 | 0 | 113.2 | A15 D87 D120 L121 C159 | A15-K118 VanDerWaalsContact O-CE 3.22Å; A15-K118 WeakPolarHBondContact O-CE 3.42Å; A15-K118 PolarHBondContact O-NZ 3.01Å; A15-K118 VanDerWaalsContact O-NZ 3.15Å; D87-K118 WeakPolarHBondContact OD1-CD 3.29Å; D87-K118 IonicContact OD1-NZ 3.53Å; D87-K118 PolarHBondContact OD1-NZ 3.45Å; D87-K118 VanDerWaalsContact OD1-NZ 3.12Å; D87-K118 IonicContact OD2-NZ 2.85Å; D87-K118 PolarHBondContact OD2-NZ 3.42Å; K118-D120 PolarHBondContact O-N 2.77Å; K118-D120 VanDerWaalsContact O-N 3.08Å; K118-L121 HydrophobicContact CB-CD1 3.83Å; K118-L121 HydrophobicContact CB-CG 4.13Å; K118-L121 HydrophobicContact CD-CD1 3.72Å; K118-L121 HydrophobicContact CG-CD1 4.43Å; K118-L121 WeakPolarHBondContact O-CB 3.44Å; K118-L121 PolarHBondContact O-N 2.83Å; K118-C159 PolarHBondContact N-O 3.12Å | ||
| 119 | K | 98.7 | Very high | 97.9 | Very high | 67 Ų | 67 | 56 Ų | 56 | 29% | 0.291 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -52.5 | -30.4 | 179 | -176.4 | -174.7 | 173.2 | -164 | 0 | 114.2 | I86 N117 L121 R122 E158 C159 D165 | I86-K119 VanDerWaalsContact CD1-CA 3.43Å; I86-K119 HydrophobicContact CD1-CB 3.78Å; I86-K119 HydrophobicContact CD1-CG 4.23Å; N117-K119 VanDerWaalsContact C-N 3.32Å; N117-K119 PolarHBondContact O-N 3.22Å; K119-L121 PolarHBondContact O-N 2.88Å; K119-R122 WeakPolarHBondContact O-CB 3.42Å; K119-R122 PolarHBondContact O-N 3.32Å; K119-E158 HydrophobicContact CD-CB 3.93Å; K119-E158 HydrophobicContact CG-CB 4.35Å; K119-C159 WeakPolarHBondContact CB-O 3.4Å; K119-C159 PolarHBondContact N-O 3.36Å; K119-C159 VanDerWaalsContact N-O 3.07Å; K119-D165 WeakPolarHBondContact CD-OD2 3.42Å; K119-D165 WeakPolarHBondContact CE-OD2 3.49Å; K119-D165 IonicContact NZ-OD1 3.44Å; K119-D165 IonicContact NZ-OD2 3.61Å; K119-D165 PolarHBondContact NZ-OD2 2.65Å |
| 120 | D | 98.3 | Very high | 98.2 | Very high | 48 Ų | 48 | 52.6 Ų | 52.6 | 26% | 0.257 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -58.6 | -29.4 | 175.2 | 54.4 | -69 | 0 | 0 | 0 | 113.3 | K118 R122 S160 T163 | K118-D120 PolarHBondContact O-N 2.77Å; K118-D120 VanDerWaalsContact O-N 3.08Å; D120-R122 VanDerWaalsContact C-N 3.32Å; D120-R122 PolarHBondContact O-N 2.97Å; D120-S160 VanDerWaalsContact CG-OG 3.26Å; D120-S160 WeakPolarHBondContact OD1-CB 3.37Å; D120-S160 PolarHBondContact OD1-OG 3.02Å; D120-T163 HydrophobicContact CB-CG2 4.09Å |
| 121 | L | 98.3 | Very high | 98.2 | Very high | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.157 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -79.5 | -10.6 | -177.3 | -59.2 | -177.9 | 0 | 0 | 0 | 114 | D87 K118 K119 N123 D124 T127 | D87-L121 HydrophobicContact CB-CB 4.09Å; D87-L121 HydrophobicContact CB-CD1 3.78Å; D87-L121 VanDerWaalsContact OD2-CD1 3.31Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.41Å; K118-L121 HydrophobicContact CB-CD1 3.83Å; K118-L121 HydrophobicContact CB-CG 4.13Å; K118-L121 HydrophobicContact CD-CD1 3.72Å; K118-L121 HydrophobicContact CG-CD1 4.43Å; K118-L121 WeakPolarHBondContact O-CB 3.44Å; K118-L121 PolarHBondContact O-N 2.83Å; K119-L121 PolarHBondContact O-N 2.88Å; L121-N123 PolarHBondContact O-N 3.11Å; L121-D124 HydrophobicContact CD2-CB 4.2Å; L121-D124 PolarHBondContact O-N 2.63Å; L121-T127 HydrophobicContact CB-CG2 4.23Å |
| 122 | R | 98.1 | Very high | 98.2 | Very high | 35 Ų | 35 | 53.9 Ų | 53.9 | 13% | 0.132 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -58.4 | -36.3 | 178.5 | -175.3 | 173.1 | -68 | 128.6 | -3.4 | 112.9 | I86 K119 D120 R128 P138 V139 E158 | I86-R122 VanDerWaalsContact CD1-NH2 3.26Å; I86-R122 HydrophobicContact CG2-CB 3.86Å; I86-R122 HydrophobicContact CG2-CG 4.39Å; K119-R122 WeakPolarHBondContact O-CB 3.42Å; K119-R122 PolarHBondContact O-N 3.32Å; D120-R122 VanDerWaalsContact C-N 3.32Å; D120-R122 PolarHBondContact O-N 2.97Å; R122-R128 PolarHBondContact O-NE 3.07Å; R122-R128 PolarHBondContact O-NH2 2.97Å; R122-P138 HydrophobicContact CG-CB 4.27Å; R122-V139 PolarHBondContact NE-O 3.36Å; R122-V139 PolarHBondContact NH2-O 2.98Å; R122-E158 IonicContact CZ-OE1 2.7Å; R122-E158 IonicContact CZ-OE2 2.93Å; R122-E158 IonicContact NH1-OE1 2.71Å; R122-E158 IonicContact NH1-OE2 2.7Å; R122-E158 PolarHBondContact NH1-OE2 2.56Å; R122-E158 IonicContact NH2-OE1 3.51Å; R122-E158 PolarHBondContact NH2-OE1 2.99Å; R122-E158 IonicContact NH2-OE2 2.8Å; R122-E158 PolarHBondContact NH2-OE2 2.91Å; R122-E158 VanDerWaalsContact NH2-OE2 3.11Å |
| 123 | N | 96.4 | Very high | 98.1 | Very high | 118 Ų | 118 | 60.1 Ų | 60.1 | 63% | 0.631 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -106.6 | 4 | -177.8 | -63 | -35.5 | 0 | 0 | 0 | 112.5 | L121 E125 R128 | L121-N123 PolarHBondContact O-N 3.11Å; N123-E125 PolarHBondContact O-N 3.32Å; N123-R128 PolarHBondContact OD1-NH2 2.84Å |
| 124 | D | 97.9 | Very high | 98 | Very high | 62 Ų | 62 | 67 Ų | 67 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | trans | -71.4 | 126.3 | 176.9 | -178.6 | 79.7 | 0 | 0 | 0 | 110.3 | L121 H126 T127 R128 | L121-D124 HydrophobicContact CD2-CB 4.2Å; L121-D124 PolarHBondContact O-N 2.63Å; D124-H126 VanDerWaalsContact C-N 3.31Å; D124-H126 PolarHBondContact O-N 2.67Å; D124-H126 WeakPolarHBondContact OD2-CA 3.17Å; D124-H126 VanDerWaalsContact OD2-CB 3.29Å; D124-H126 WeakPolarHBondContact OD2-CB 3.4Å; D124-H126 PolarHBondContact OD2-N 2.86Å; D124-T127 PolarHBondContact OD2-N 3.14Å; D124-T127 PolarHBondContact OD2-OG1 2.7Å; D124-R128 WeakPolarHBondContact O-CG 3.27Å; D124-R128 PolarHBondContact O-N 2.81Å | ||
| 125 | E | 97.6 | Very high | 97.9 | Very high | 128 Ų | 128 | 76.5 Ų | 76.5 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.9 | -36.7 | -177 | -72.7 | -165.9 | -171 | 0 | 0 | 112.4 | N123 R129 | N123-E125 PolarHBondContact O-N 3.32Å; E125-R129 WeakPolarHBondContact O-CB 3.18Å; E125-R129 WeakPolarHBondContact O-CG 3.4Å; E125-R129 PolarHBondContact O-N 2.71Å; E125-R129 IonicContact OE2-CZ 3.83Å; E125-R129 IonicContact OE2-NH2 2.65Å; E125-R129 PolarHBondContact OE2-NH2 3.17Å |
| 126 | H | 97.8 | Very high | 97.9 | Very high | 123 Ų | 123 | 79.4 Ų | 79.4 | 57% | 0.569 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -68.6 | -48.7 | -178.8 | 177.5 | 61.5 | 0 | 0 | 0 | 110.1 | D124 R128 R129 E130 | D124-H126 VanDerWaalsContact C-N 3.31Å; D124-H126 PolarHBondContact O-N 2.67Å; D124-H126 WeakPolarHBondContact OD2-CA 3.17Å; D124-H126 VanDerWaalsContact OD2-CB 3.29Å; D124-H126 WeakPolarHBondContact OD2-CB 3.4Å; D124-H126 PolarHBondContact OD2-N 2.86Å; H126-R128 VanDerWaalsContact C-N 3.32Å; H126-R128 PolarHBondContact O-N 3.07Å; H126-R129 PolarHBondContact O-N 3.39Å; H126-R129 VanDerWaalsContact O-N 3.13Å; H126-E130 IonicContact CE1-OE1 2.65Å; H126-E130 IonicContact ND1-OE1 2.84Å; H126-E130 WeakPolarHBondContact O-CG 3.46Å; H126-E130 PolarHBondContact O-N 3.31Å |
| 127 | T | 97.7 | Very high | 97.8 | Very high | 19 Ų | 19 | 84.3 Ų | 84.3 | 12% | 0.117 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -54 | -47.6 | 174.2 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | D87 L121 D124 R129 E130 L131 P138 | D87-T127 HydrophobicContact CB-CG2 3.65Å; L121-T127 HydrophobicContact CB-CG2 4.23Å; D124-T127 PolarHBondContact OD2-N 3.14Å; D124-T127 PolarHBondContact OD2-OG1 2.7Å; T127-R129 PolarHBondContact O-N 3.14Å; T127-E130 PolarHBondContact O-N 2.93Å; T127-L131 HydrophobicContact CG2-CD1 3.93Å; T127-L131 WeakPolarHBondContact O-CG 3.34Å; T127-L131 PolarHBondContact O-N 3.32Å; T127-P138 HydrophobicContact CG2-CG 4.42Å |
| 128 | R | 98 | Very high | 97.8 | Very high | 121 Ų | 121 | 84.7 Ų | 84.7 | 46% | 0.457 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.2 | -42.3 | 177.9 | -74.4 | 176.8 | 174.1 | -163.7 | -2.1 | 112.7 | R122 N123 D124 H126 A132 P138 | R122-R128 PolarHBondContact O-NE 3.07Å; R122-R128 PolarHBondContact O-NH2 2.97Å; N123-R128 PolarHBondContact OD1-NH2 2.84Å; D124-R128 WeakPolarHBondContact O-CG 3.27Å; D124-R128 PolarHBondContact O-N 2.81Å; H126-R128 VanDerWaalsContact C-N 3.32Å; H126-R128 PolarHBondContact O-N 3.07Å; R128-A132 VanDerWaalsContact O-CB 3.27Å; R128-A132 WeakPolarHBondContact O-CB 3.29Å; R128-A132 PolarHBondContact O-N 2.86Å; R128-P138 HydrophobicContact CG-CG 3.92Å |
| 129 | R | 98 | Very high | 97.8 | Very high | 158 Ų | 158 | 82.2 Ų | 82.2 | 60% | 0.596 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.5 | -41.9 | 178.5 | -73.7 | 174.8 | -161.2 | -157.5 | 9.8 | 111.8 | E125 H126 T127 A132 K133 | E125-R129 WeakPolarHBondContact O-CB 3.18Å; E125-R129 WeakPolarHBondContact O-CG 3.4Å; E125-R129 PolarHBondContact O-N 2.71Å; E125-R129 IonicContact OE2-CZ 3.83Å; E125-R129 IonicContact OE2-NH2 2.65Å; E125-R129 PolarHBondContact OE2-NH2 3.17Å; H126-R129 PolarHBondContact O-N 3.39Å; H126-R129 VanDerWaalsContact O-N 3.13Å; T127-R129 PolarHBondContact O-N 3.14Å; R129-A132 PolarHBondContact O-N 3.13Å; R129-K133 PolarHBondContact O-N 2.91Å |
| 130 | E | 97.6 | Very high | 97.8 | Very high | 77 Ų | 77 | 82.5 Ų | 82.5 | 36% | 0.36 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.9 | -46.4 | 178.3 | -67 | -51.2 | 126.9 | 0 | 0 | 111.7 | H126 T127 A132 K133 | H126-E130 IonicContact CE1-OE1 2.65Å; H126-E130 IonicContact ND1-OE1 2.84Å; H126-E130 WeakPolarHBondContact O-CG 3.46Å; H126-E130 PolarHBondContact O-N 3.31Å; T127-E130 PolarHBondContact O-N 2.93Å; E130-A132 VanDerWaalsContact C-N 3.31Å; E130-A132 PolarHBondContact O-N 2.95Å; E130-K133 WeakPolarHBondContact O-CB 3.41Å; E130-K133 PolarHBondContact O-N 2.92Å; E130-K133 WeakPolarHBondContact OE1-CE 3.16Å; E130-K133 IonicContact OE1-NZ 3.63Å; E130-K133 PolarHBondContact OE1-NZ 2.78Å; E130-K133 IonicContact OE2-NZ 3.8Å; E130-K133 PolarHBondContact OE2-NZ 3.38Å |
| 131 | L | 97.7 | Very high | 97.8 | Very high | 17 Ų | 17 | 82.1 Ų | 82.1 | 9% | 0.089 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.3 | -38.3 | 176.3 | -72.9 | 171.1 | 0 | 0 | 0 | 112.3 | P89 T127 K133 M134 K135 Q136 P138 | P89-L131 HydrophobicContact CG-CD2 4.45Å; T127-L131 HydrophobicContact CG2-CD1 3.93Å; T127-L131 WeakPolarHBondContact O-CG 3.34Å; T127-L131 PolarHBondContact O-N 3.32Å; L131-K133 PolarHBondContact O-N 2.71Å; L131-M134 CarbonylContact O-C 3.44Å; L131-M134 WeakPolarHBondContact O-CA 3.35Å; L131-M134 PolarHBondContact O-N 3.36Å; L131-K135 PolarHBondContact O-N 3.31Å; L131-Q136 CarbonylContact C-O 3.51Å; L131-Q136 HydrophobicContact CB-CB 4.18Å; L131-Q136 WeakPolarHBondContact CB-O 3.18Å; L131-Q136 HydrophobicContact CD2-CB 4.07Å; L131-Q136 PolarHBondContact O-N 2.77Å; L131-P138 HydrophobicContact CD1-CB 4.3Å; L131-P138 HydrophobicContact CD1-CG 3.79Å |
| 132 | A | 97.6 | Very high | 97.8 | Very high | 61 Ų | 61 | 84.9 Ų | 84.9 | 50% | 0.504 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.2 | -29.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | R128 R129 E130 M134 K135 Q136 | R128-A132 VanDerWaalsContact O-CB 3.27Å; R128-A132 WeakPolarHBondContact O-CB 3.29Å; R128-A132 PolarHBondContact O-N 2.86Å; R129-A132 PolarHBondContact O-N 3.13Å; E130-A132 VanDerWaalsContact C-N 3.31Å; E130-A132 PolarHBondContact O-N 2.95Å; A132-M134 PolarHBondContact O-N 2.94Å; A132-K135 PolarHBondContact O-N 3.32Å; A132-Q136 PolarHBondContact N-O 3.17Å |
| 133 | K | 97.6 | Very high | 97.9 | Very high | 142 Ų | 142 | 87 Ų | 87 | 62% | 0.617 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.8 | -31.3 | 173.5 | -63.8 | 173.8 | -169.7 | 169.1 | 0 | 112 | R129 E130 L131 K135 | R129-K133 PolarHBondContact O-N 2.91Å; E130-K133 WeakPolarHBondContact O-CB 3.41Å; E130-K133 PolarHBondContact O-N 2.92Å; E130-K133 WeakPolarHBondContact OE1-CE 3.16Å; E130-K133 IonicContact OE1-NZ 3.63Å; E130-K133 PolarHBondContact OE1-NZ 2.78Å; E130-K133 IonicContact OE2-NZ 3.8Å; E130-K133 PolarHBondContact OE2-NZ 3.38Å; L131-K133 PolarHBondContact O-N 2.71Å; K133-K135 VanDerWaalsContact C-N 3.35Å |
| 134 | M | 96.6 | Very high | 98 | Very high | 143 Ų | 143 | 81.4 Ų | 81.4 | 70% | 0.704 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | 8.2 | 176.5 | -60.5 | -63.6 | -71.8 | 0 | 0 | 112.7 | L131 A132 Q136 | L131-M134 CarbonylContact O-C 3.44Å; L131-M134 WeakPolarHBondContact O-CA 3.35Å; L131-M134 PolarHBondContact O-N 3.36Å; A132-M134 PolarHBondContact O-N 2.94Å; M134-Q136 HydrophobicContact CB-CG 4.48Å; M134-Q136 PolarHBondContact O-N 3.03Å |
| 135 | K | 97.2 | Very high | 98 | Very high | 201 Ų | 201 | 84.8 Ų | 84.8 | 87% | 0.874 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 31.5 | -173.6 | -54.2 | 178 | 179.8 | 176.9 | 0 | 113.5 | L131 A132 K133 | L131-K135 PolarHBondContact O-N 3.31Å; A132-K135 PolarHBondContact O-N 3.32Å; K133-K135 VanDerWaalsContact C-N 3.35Å |
| 136 | Q | 97.6 | Very high | 98.1 | Very high | 61 Ų | 61 | 83.7 Ų | 83.7 | 29% | 0.285 | 39% | 0.389 | S | S | . | . | trans | -112.6 | 165.4 | 176.7 | -72.7 | -177.7 | -22.8 | 0 | 0 | 110.6 | P89 D90 L131 A132 M134 | P89-Q136 HydrophobicContact CG-CB 4.25Å; D90-Q136 PolarHBondContact OD1-NE2 3.2Å; L131-Q136 CarbonylContact C-O 3.51Å; L131-Q136 HydrophobicContact CB-CB 4.18Å; L131-Q136 WeakPolarHBondContact CB-O 3.18Å; L131-Q136 HydrophobicContact CD2-CB 4.07Å; L131-Q136 PolarHBondContact O-N 2.77Å; A132-Q136 PolarHBondContact N-O 3.17Å; M134-Q136 HydrophobicContact CB-CG 4.48Å; M134-Q136 PolarHBondContact O-N 3.03Å | ||
| 137 | E | 98.1 | Very high | 98.1 | Very high | 103 Ų | 103 | 78.7 Ų | 78.7 | 48% | 0.481 | 37% | 0.366 | S | S | . | . | trans | -134.6 | 158.5 | 171 | 62.3 | -179.1 | 161 | 0 | 0 | 109.9 | P89 K140 | P89-E137 WeakPolarHBondContact CG-O 3.16Å; E137-K140 WeakPolarHBondContact OE1-CE 3.47Å; E137-K140 IonicContact OE1-NZ 3.63Å; E137-K140 PolarHBondContact OE1-NZ 3.39Å; E137-K140 WeakPolarHBondContact OE2-CE 3.37Å; E137-K140 IonicContact OE2-NZ 3.61Å | ||
| 138 | P | 98.6 | Very high | 98.2 | Very high | 11 Ų | 11 | 78 Ų | 78 | 7% | 0.071 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 143.3 | 175.6 | -22.2 | 31.6 | 0 | 0 | 0 | 111.7 | I86 R122 T127 R128 L131 K140 | I86-P138 HydrophobicContact CG2-CB 4.11Å; I86-P138 CarbonylContact O-C 3.55Å; I86-P138 VanDerWaalsContact O-CA 3.28Å; I86-P138 WeakPolarHBondContact O-CA 3.44Å; R122-P138 HydrophobicContact CG-CB 4.27Å; T127-P138 HydrophobicContact CG2-CG 4.42Å; R128-P138 HydrophobicContact CG-CG 3.92Å; L131-P138 HydrophobicContact CD1-CB 4.3Å; L131-P138 HydrophobicContact CD1-CG 3.79Å; P138-K140 PolarHBondContact O-N 2.67Å |
| 139 | V | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 78.3 Ų | 78.3 | 1% | 0.012 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -58 | 128.7 | -177.9 | 178.8 | 0 | 0 | 0 | 0 | 111.1 | F84 I86 P89 L92 R122 E143 | F84-V139 HydrophobicContact CD2-CG2 4.43Å; F84-V139 HydrophobicContact CE2-CB 3.99Å; F84-V139 HydrophobicContact CE2-CG1 3.71Å; F84-V139 HydrophobicContact CE2-CG2 4.1Å; F84-V139 HydrophobicContact CZ-CG1 4.13Å; I86-V139 PolarHBondContact O-N 2.9Å; P89-V139 HydrophobicContact CB-CG2 4.39Å; P89-V139 HydrophobicContact CG-CG2 4.36Å; L92-V139 HydrophobicContact CB-CG2 4.36Å; L92-V139 HydrophobicContact CD2-CG1 3.74Å; L92-V139 HydrophobicContact CD2-CG2 4.32Å; R122-V139 PolarHBondContact NE-O 3.36Å; R122-V139 PolarHBondContact NH2-O 2.98Å; V139-E143 HydrophobicContact CG1-CB 4.08Å |
| 140 | K | 98.6 | Very high | 98.2 | Very high | 73 Ų | 73 | 79.3 Ų | 79.3 | 32% | 0.317 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -83.5 | 151.6 | 177.5 | -57.1 | 178.4 | -171.8 | 154.3 | 0 | 111.3 | E137 P138 E142 E143 G144 | E137-K140 WeakPolarHBondContact OE1-CE 3.47Å; E137-K140 IonicContact OE1-NZ 3.63Å; E137-K140 PolarHBondContact OE1-NZ 3.39Å; E137-K140 WeakPolarHBondContact OE2-CE 3.37Å; E137-K140 IonicContact OE2-NZ 3.61Å; P138-K140 PolarHBondContact O-N 2.67Å; K140-E142 HydrophobicContact CB-CG 4.01Å; K140-E142 WeakPolarHBondContact CB-OE1 3.18Å; K140-E142 WeakPolarHBondContact CD-OE1 3.23Å; K140-E142 PolarHBondContact O-N 2.95Å; K140-E143 HydrophobicContact CB-CG 4.28Å; K140-E143 WeakPolarHBondContact CB-OE2 3.28Å; K140-E143 PolarHBondContact N-OE2 3.38Å; K140-E143 PolarHBondContact O-N 3.17Å; K140-E143 VanDerWaalsContact O-N 3.09Å; K140-G144 PolarHBondContact O-N 2.8Å |
| 141 | P | 98.5 | Very high | 98.2 | Very high | 40 Ų | 40 | 76 Ų | 76 | 26% | 0.26 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.4 | -30.3 | -179.9 | -25 | 34.6 | 0 | 0 | 0 | 114.5 | R145 E158 | P141-R145 VanDerWaalsContact O-CG 3.3Å; P141-R145 WeakPolarHBondContact O-CG 3.03Å; P141-R145 PolarHBondContact O-N 2.77Å; P141-R145 VanDerWaalsContact O-N 3.13Å; P141-R145 PolarHBondContact O-NE 2.9Å; P141-E158 VanDerWaalsContact CA-OE1 3.3Å; P141-E158 WeakPolarHBondContact CA-OE1 3.49Å; P141-E158 WeakPolarHBondContact CB-OE1 3.36Å |
| 142 | E | 98.6 | Very high | 98.2 | Very high | 87 Ų | 87 | 78 Ų | 78 | 41% | 0.407 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 173.8 | 53.5 | -87.2 | -155.4 | 0 | 0 | 112.5 | K140 G144 R145 D146 | K140-E142 HydrophobicContact CB-CG 4.01Å; K140-E142 WeakPolarHBondContact CB-OE1 3.18Å; K140-E142 WeakPolarHBondContact CD-OE1 3.23Å; K140-E142 PolarHBondContact O-N 2.95Å; E142-G144 VanDerWaalsContact C-N 3.34Å; E142-G144 PolarHBondContact O-N 2.64Å; E142-R145 WeakPolarHBondContact O-CB 2.89Å; E142-R145 PolarHBondContact O-N 3.24Å; E142-R145 VanDerWaalsContact O-N 3.15Å; E142-D146 WeakPolarHBondContact O-CB 3.44Å; E142-D146 PolarHBondContact O-N 3.44Å |
| 143 | E | 98.7 | Very high | 98.3 | Very high | 81 Ų | 81 | 76 Ų | 76 | 38% | 0.379 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 179.7 | -62.3 | 174.3 | 112.5 | 0 | 0 | 111.2 | L92 V139 K140 D146 M147 | L92-E143 HydrophobicContact CD2-CB 4.12Å; V139-E143 HydrophobicContact CG1-CB 4.08Å; K140-E143 HydrophobicContact CB-CG 4.28Å; K140-E143 WeakPolarHBondContact CB-OE2 3.28Å; K140-E143 PolarHBondContact N-OE2 3.38Å; K140-E143 PolarHBondContact O-N 3.17Å; K140-E143 VanDerWaalsContact O-N 3.09Å; E143-D146 PolarHBondContact O-N 3.12Å; E143-M147 WeakPolarHBondContact O-CB 3.4Å; E143-M147 PolarHBondContact O-N 3.22Å |
| 144 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 73.6 Ų | 73.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L114 K140 E142 M147 A148 | L114-G144 WeakPolarHBondContact CD2-O 3.43Å; K140-G144 PolarHBondContact O-N 2.8Å; E142-G144 VanDerWaalsContact C-N 3.34Å; E142-G144 PolarHBondContact O-N 2.64Å; G144-M147 PolarHBondContact O-N 3.47Å; G144-A148 WeakPolarHBondContact O-CB 3.08Å; G144-A148 PolarHBondContact O-N 3.17Å |
| 145 | R | 98.8 | Very high | 98.4 | Very high | 132 Ų | 132 | 67.6 Ų | 67.6 | 50% | 0.498 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.6 | -44.5 | 174.7 | -78.2 | 178.8 | -80.8 | 177.8 | -0.3 | 111.9 | P141 E142 M147 A148 N149 Y156 | P141-R145 VanDerWaalsContact O-CG 3.3Å; P141-R145 WeakPolarHBondContact O-CG 3.03Å; P141-R145 PolarHBondContact O-N 2.77Å; P141-R145 VanDerWaalsContact O-N 3.13Å; P141-R145 PolarHBondContact O-NE 2.9Å; E142-R145 WeakPolarHBondContact O-CB 2.89Å; E142-R145 PolarHBondContact O-N 3.24Å; E142-R145 VanDerWaalsContact O-N 3.15Å; R145-M147 VanDerWaalsContact C-N 3.31Å; R145-M147 PolarHBondContact O-N 3.06Å; R145-A148 PolarHBondContact O-N 3.48Å; R145-N149 PolarHBondContact O-N 3.45Å; R145-N149 PolarHBondContact O-ND2 2.64Å; R145-Y156 HydrophobicContact CB-CD1 4.37Å; R145-Y156 HydrophobicContact CG-CD1 3.47Å; R145-Y156 VanDerWaalsContact CG-CD1 3.47Å; R145-Y156 HydrophobicContact CG-CE1 4.03Å; R145-Y156 HydrophobicContact CG-CG 4.36Å |
| 146 | D | 98.8 | Very high | 98.4 | Very high | 106 Ų | 106 | 59.6 Ų | 59.6 | 57% | 0.567 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.8 | -39.8 | 177.7 | -71.1 | -16.1 | 0 | 0 | 0 | 111 | E142 E143 N149 R150 | E142-D146 WeakPolarHBondContact O-CB 3.44Å; E142-D146 PolarHBondContact O-N 3.44Å; E143-D146 PolarHBondContact O-N 3.12Å; D146-N149 PolarHBondContact O-N 2.95Å; D146-R150 WeakPolarHBondContact O-CB 3.41Å; D146-R150 PolarHBondContact O-N 2.88Å |
| 147 | M | 98.8 | Very high | 98.5 | Very high | 18 Ų | 18 | 58.7 Ų | 58.7 | 9% | 0.089 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 174.2 | -172.2 | 57.3 | 78.4 | 0 | 0 | 112.4 | L92 I95 P96 L114 E143 G144 R145 N149 R150 I151 | L92-M147 HydrophobicContact CD1-CB 3.84Å; L92-M147 HydrophobicContact CD1-CE 4.48Å; L92-M147 HydrophobicContact CD1-CG 3.78Å; L92-M147 HydrophobicContact CG-CB 4.47Å; L92-M147 HydrophobicContact CG-CE 4.1Å; L92-M147 HydrophobicContact CG-CG 4.39Å; I95-M147 HydrophobicContact CB-CG 4.26Å; I95-M147 HydrophobicContact CB-SD 4.46Å; I95-M147 HydrophobicContact CG2-CG 3.93Å; I95-M147 HydrophobicContact CG2-SD 4.26Å; P96-M147 HydrophobicContact CB-SD 4.42Å; P96-M147 VanDerWaalsContact CD-SD 3.57Å; P96-M147 HydrophobicContact CG-CE 3.88Å; P96-M147 HydrophobicContact CG-SD 3.89Å; L114-M147 HydrophobicContact CD2-CB 3.88Å; L114-M147 HydrophobicContact CD2-CG 3.9Å; E143-M147 WeakPolarHBondContact O-CB 3.4Å; E143-M147 PolarHBondContact O-N 3.22Å; G144-M147 PolarHBondContact O-N 3.47Å; R145-M147 VanDerWaalsContact C-N 3.31Å; R145-M147 PolarHBondContact O-N 3.06Å; M147-N149 VanDerWaalsContact C-N 3.3Å; M147-N149 PolarHBondContact O-N 3.01Å; M147-R150 WeakPolarHBondContact O-CB 3.39Å; M147-R150 PolarHBondContact O-N 2.78Å; M147-R150 VanDerWaalsContact O-N 3.15Å; M147-R150 HydrophobicContact SD-CB 4.47Å; M147-I151 PolarHBondContact O-N 2.99Å; M147-I151 HydrophobicContact SD-CG2 4.11Å |
| 148 | A | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.033 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L114 G144 R145 G152 A153 Y156 | L114-A148 HydrophobicContact CB-CB 4.15Å; L114-A148 HydrophobicContact CD2-CB 3.87Å; G144-A148 WeakPolarHBondContact O-CB 3.08Å; G144-A148 PolarHBondContact O-N 3.17Å; R145-A148 PolarHBondContact O-N 3.48Å; A148-G152 PolarHBondContact O-N 3.23Å; A148-A153 HydrophobicContact CB-CB 4.04Å; A148-A153 PolarHBondContact O-N 3.46Å; A148-Y156 HydrophobicContact CB-CG 4.45Å |
| 149 | N | 98.5 | Very high | 98.5 | Very high | 127 Ų | 127 | 54.5 Ų | 54.5 | 68% | 0.679 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.7 | -45.7 | 174 | -68.9 | -32.3 | 0 | 0 | 0 | 111.5 | R145 D146 M147 I151 G152 | R145-N149 PolarHBondContact O-N 3.45Å; R145-N149 PolarHBondContact O-ND2 2.64Å; D146-N149 PolarHBondContact O-N 2.95Å; M147-N149 VanDerWaalsContact C-N 3.3Å; M147-N149 PolarHBondContact O-N 3.01Å; N149-I151 VanDerWaalsContact C-N 3.32Å; N149-I151 PolarHBondContact O-N 3.39Å; N149-G152 PolarHBondContact O-N 3.12Å |
| 150 | R | 98.3 | Very high | 98.5 | Very high | 179 Ų | 179 | 54.4 Ų | 54.4 | 68% | 0.675 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -58.2 | -40.9 | -179.6 | -180 | 179.6 | 176.4 | -176.1 | -3.5 | 112.7 | D146 M147 | D146-R150 WeakPolarHBondContact O-CB 3.41Å; D146-R150 PolarHBondContact O-N 2.88Å; M147-R150 WeakPolarHBondContact O-CB 3.39Å; M147-R150 PolarHBondContact O-N 2.78Å; M147-R150 VanDerWaalsContact O-N 3.15Å; M147-R150 HydrophobicContact SD-CB 4.47Å |
| 151 | I | 98.1 | Very high | 98.5 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -86.9 | -11.3 | -178.1 | 70.6 | 176.6 | 0 | 0 | 0 | 113.6 | M82 I95 P96 T100 K104 I112 L114 M147 N149 A153 | M82-I151 HydrophobicContact SD-CD1 3.93Å; I95-I151 HydrophobicContact CG2-CD1 3.81Å; I95-I151 HydrophobicContact CG2-CG2 4.02Å; P96-I151 HydrophobicContact CB-CG2 4.42Å; T100-I151 HydrophobicContact CG2-CB 4.1Å; T100-I151 HydrophobicContact CG2-CG2 4.25Å; T100-I151 WeakPolarHBondContact OG1-CG2 3.43Å; K104-I151 PolarHBondContact NZ-O 2.82Å; I112-I151 HydrophobicContact CG2-CD1 4.45Å; L114-I151 HydrophobicContact CD1-CD1 4.3Å; M147-I151 PolarHBondContact O-N 2.99Å; M147-I151 HydrophobicContact SD-CG2 4.11Å; N149-I151 VanDerWaalsContact C-N 3.32Å; N149-I151 PolarHBondContact O-N 3.39Å; I151-A153 HydrophobicContact CD1-CB 4.15Å; I151-A153 HydrophobicContact CG1-CB 3.95Å |
| 152 | G | 97.8 | Very high | 98.4 | Very high | 61 Ų | 61 | 56 Ų | 56 | 63% | 0.629 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 37.8 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A148 N149 | A148-G152 PolarHBondContact O-N 3.23Å; N149-G152 PolarHBondContact O-N 3.12Å |
| 153 | A | 98.4 | Very high | 98.4 | Very high | 19 Ų | 19 | 55.9 Ų | 55.9 | 16% | 0.157 | 28% | 0.284 | C | S | . | . | trans | -66 | 149.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | I112 L114 A148 I151 G155 | I112-A153 HydrophobicContact CG2-CB 4.49Å; I112-A153 CarbonylContact O-C 3.58Å; I112-A153 WeakPolarHBondContact O-CA 3.3Å; I112-A153 WeakPolarHBondContact O-CB 3.24Å; L114-A153 HydrophobicContact CB-CB 4.3Å; A148-A153 HydrophobicContact CB-CB 4.04Å; A148-A153 PolarHBondContact O-N 3.46Å; I151-A153 HydrophobicContact CD1-CB 4.15Å; I151-A153 HydrophobicContact CG1-CB 3.95Å; A153-G155 PolarHBondContact O-N 3.42Å | ||
| 154 | F | 98.1 | Very high | 98.3 | Very high | 91 Ų | 91 | 56.4 Ų | 56.4 | 40% | 0.399 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -66 | -30.5 | 173.8 | 178.1 | -83.3 | 0 | 0 | 0 | 111.7 | P111 I112 I113 M173 A177 | P111-F154 HydrophobicContact CB-CB 4.18Å; I112-F154 WeakPolarHBondContact O-CB 3.08Å; I112-F154 PolarHBondContact O-N 3.26Å; I113-F154 HydrophobicContact CD1-CB 3.92Å; I113-F154 HydrophobicContact CD1-CD1 3.61Å; I113-F154 HydrophobicContact CD1-CG 4.14Å; F154-M173 HydrophobicContact CD1-CG 4.38Å; F154-M173 HydrophobicContact CE1-CG 4.36Å; F154-A177 HydrophobicContact CD1-CB 3.63Å; F154-A177 HydrophobicContact CD2-CB 4.01Å; F154-A177 HydrophobicContact CE1-CB 3.72Å; F154-A177 HydrophobicContact CE2-CB 4.09Å; F154-A177 HydrophobicContact CG-CB 3.78Å; F154-A177 HydrophobicContact CZ-CB 3.96Å |
| 155 | G | 97.9 | Very high | 98.3 | Very high | 16 Ų | 16 | 59.9 Ų | 59.9 | 17% | 0.165 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.1 | 169 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L114 A153 | L114-G155 PolarHBondContact N-O 3.21Å; A153-G155 PolarHBondContact O-N 3.42Å |
| 156 | Y | 98.8 | Very high | 98.3 | Very high | 34 Ų | 34 | 54 Ų | 54 | 13% | 0.133 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 134.6 | 174.8 | 175.1 | -120.7 | 0 | 0 | 0 | 109.9 | F84 L114 R145 A148 E158 | F84-Y156 AromaticContact CE1-CE2 3.77Å; F84-Y156 HydrophobicContact CE1-CE2 3.77Å; F84-Y156 AromaticContact CZ-CE2 3.92Å; F84-Y156 HydrophobicContact CZ-CE2 3.92Å; L114-Y156 HydrophobicContact CB-CD2 4.13Å; L114-Y156 HydrophobicContact CD2-CD2 4.03Å; L114-Y156 HydrophobicContact CD2-CE2 4.43Å; L114-Y156 HydrophobicContact CG-CD2 4.03Å; L114-Y156 HydrophobicContact CG-CE2 4.46Å; L114-Y156 WeakPolarHBondContact O-CA 3.49Å; L114-Y156 WeakPolarHBondContact O-CD2 3.2Å; R145-Y156 HydrophobicContact CB-CD1 4.37Å; R145-Y156 HydrophobicContact CG-CD1 3.47Å; R145-Y156 VanDerWaalsContact CG-CD1 3.47Å; R145-Y156 HydrophobicContact CG-CE1 4.03Å; R145-Y156 HydrophobicContact CG-CG 4.36Å; A148-Y156 HydrophobicContact CB-CG 4.45Å; Y156-E158 HydrophobicContact CE1-CG 3.89Å; Y156-E158 HydrophobicContact CE2-CG 4.28Å; Y156-E158 WeakPolarHBondContact OH-CG 3.43Å; Y156-E158 PolarHBondContact OH-OE1 3.25Å |
| 157 | M | 98.8 | Very high | 98.3 | Very high | 42 Ų | 42 | 49.2 Ų | 49.2 | 21% | 0.207 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 153.1 | 174.8 | -69.8 | -62.4 | -66.3 | 0 | 0 | 110.5 | L114 V115 G116 E169 V170 M173 | L114-M157 PolarHBondContact O-N 2.92Å; V115-M157 CarbonylContact C-O 3.39Å; V115-M157 VanDerWaalsContact CA-O 3.29Å; V115-M157 WeakPolarHBondContact CA-O 3.42Å; G116-M157 PolarHBondContact N-O 3.08Å; M157-E169 HydrophobicContact CE-CB 3.4Å; M157-E169 HydrophobicContact CE-CG 4.45Å; M157-V170 HydrophobicContact CB-CG2 3.66Å; M157-V170 HydrophobicContact CG-CG2 4.39Å; M157-M173 HydrophobicContact CG-CE 3.49Å; M157-M173 VanDerWaalsContact CG-CE 3.49Å; M157-M173 HydrophobicContact CG-SD 3.62Å; M157-M173 HydrophobicContact SD-CE 3.35Å; M157-M173 WeakPolarHBondContact SD-CE 3.22Å; M157-M173 HydrophobicContact SD-SD 4.33Å |
| 158 | E | 98.8 | Very high | 98.2 | Very high | 25 Ų | 25 | 54.9 Ų | 54.9 | 12% | 0.117 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 143.2 | 169.2 | -63.8 | -180 | 172.8 | 0 | 0 | 109.5 | I86 G116 K119 R122 P141 Y156 | I86-E158 HydrophobicContact CD1-CB 4.34Å; I86-E158 HydrophobicContact CD1-CG 4.19Å; G116-E158 VanDerWaalsContact O-CA 3.28Å; G116-E158 WeakPolarHBondContact O-CA 3.23Å; K119-E158 HydrophobicContact CD-CB 3.93Å; K119-E158 HydrophobicContact CG-CB 4.35Å; R122-E158 IonicContact CZ-OE1 2.7Å; R122-E158 IonicContact CZ-OE2 2.93Å; R122-E158 IonicContact NH1-OE1 2.71Å; R122-E158 IonicContact NH1-OE2 2.7Å; R122-E158 PolarHBondContact NH1-OE2 2.56Å; R122-E158 IonicContact NH2-OE1 3.51Å; R122-E158 PolarHBondContact NH2-OE1 2.99Å; R122-E158 IonicContact NH2-OE2 2.8Å; R122-E158 PolarHBondContact NH2-OE2 2.91Å; R122-E158 VanDerWaalsContact NH2-OE2 3.11Å; P141-E158 VanDerWaalsContact CA-OE1 3.3Å; P141-E158 WeakPolarHBondContact CA-OE1 3.49Å; P141-E158 WeakPolarHBondContact CB-OE1 3.36Å; Y156-E158 HydrophobicContact CE1-CG 3.89Å; Y156-E158 HydrophobicContact CE2-CG 4.28Å; Y156-E158 WeakPolarHBondContact OH-CG 3.43Å; Y156-E158 PolarHBondContact OH-OE1 3.25Å |
| 159 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -146.9 | 163.1 | 176.4 | 66.4 | 0 | 0 | 0 | 0 | 112.3 | G116 N117 K118 K119 D165 V167 V170 | G116-C159 PolarHBondContact O-N 3.27Å; N117-C159 CarbonylContact C-O 3.44Å; N117-C159 PolarHBondContact OD1-SG 3.09Å; N117-C159 VanDerWaalsContact OD1-SG 3.32Å; K118-C159 PolarHBondContact N-O 3.12Å; K119-C159 WeakPolarHBondContact CB-O 3.4Å; K119-C159 PolarHBondContact N-O 3.36Å; K119-C159 VanDerWaalsContact N-O 3.07Å; C159-D165 CarbonylContact C-O 3.47Å; C159-D165 WeakPolarHBondContact CA-O 3.27Å; C159-D165 VanDerWaalsContact CB-O 3.27Å; C159-D165 WeakPolarHBondContact CB-O 3.42Å; C159-V167 HydrophobicContact CB-CG2 4.38Å; C159-V170 HydrophobicContact CB-CG2 4.07Å | ||
| 160 | S | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 27% | 0.265 | C | S | . | . | trans | -125.8 | 107.6 | 168.3 | 168.8 | 0 | 0 | 0 | 0 | 108.2 | D120 K162 T163 K164 D165 | D120-S160 VanDerWaalsContact CG-OG 3.26Å; D120-S160 WeakPolarHBondContact OD1-CB 3.37Å; D120-S160 PolarHBondContact OD1-OG 3.02Å; S160-K162 PolarHBondContact O-N 2.77Å; S160-K162 PolarHBondContact OG-N 2.9Å; S160-T163 WeakPolarHBondContact CB-OG1 3.24Å; S160-T163 PolarHBondContact O-N 2.97Å; S160-T163 PolarHBondContact OG-N 3.48Å; S160-T163 VanDerWaalsContact OG-N 3.11Å; S160-T163 PolarHBondContact OG-OG1 2.91Å; S160-K164 CarbonylContact O-C 3.17Å; S160-K164 VanDerWaalsContact O-CA 3.24Å; S160-K164 WeakPolarHBondContact O-CA 3.47Å; S160-K164 PolarHBondContact O-N 3.11Å; S160-D165 PolarHBondContact N-O 2.96Å; S160-D165 PolarHBondContact O-N 3.28Å | ||
| 161 | A | 98.1 | Very high | 98.2 | Very high | 10 Ų | 10 | 44.4 Ų | 44.4 | 8% | 0.083 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -33.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | C20 V24 F30 K164 | C20-A161 HydrophobicContact CB-CB 3.96Å; V24-A161 HydrophobicContact CB-CB 4.39Å; V24-A161 HydrophobicContact CG2-CB 4.02Å; V24-A161 WeakPolarHBondContact CG2-O 3.1Å; F30-A161 HydrophobicContact CD2-CB 4.06Å; F30-A161 HydrophobicContact CE2-CB 3.94Å; A161-K164 PolarHBondContact O-N 3.35Å |
| 162 | K | 96.8 | Very high | 98.2 | Very high | 137 Ų | 137 | 46.4 Ų | 46.4 | 60% | 0.596 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -41.4 | -179.3 | -175.4 | 178.2 | 178.6 | -176 | 0 | 113 | F30 S160 | F30-K162 HydrophobicContact CD2-CB 4.22Å; F30-K162 HydrophobicContact CE2-CB 3.93Å; F30-K162 HydrophobicContact CZ-CB 4.27Å; S160-K162 PolarHBondContact O-N 2.77Å; S160-K162 PolarHBondContact OG-N 2.9Å |
| 163 | T | 97.3 | Very high | 98.3 | Very high | 83 Ų | 83 | 45.4 Ų | 45.4 | 51% | 0.509 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -3.4 | -179.5 | 62.7 | 0 | 0 | 0 | 0 | 113.2 | D120 S160 D165 | D120-T163 HydrophobicContact CB-CG2 4.09Å; S160-T163 WeakPolarHBondContact CB-OG1 3.24Å; S160-T163 PolarHBondContact O-N 2.97Å; S160-T163 PolarHBondContact OG-N 3.48Å; S160-T163 VanDerWaalsContact OG-N 3.11Å; S160-T163 PolarHBondContact OG-OG1 2.91Å; T163-D165 PolarHBondContact O-N 3.39Å; T163-D165 VanDerWaalsContact O-N 3.17Å; T163-D165 WeakPolarHBondContact OG1-CB 3.41Å |
| 164 | K | 98 | Very high | 98.3 | Very high | 92 Ų | 92 | 44.5 Ų | 44.5 | 40% | 0.4 | 21% | 0.214 | S | C | . | . | trans | 64.2 | 0.9 | -171.6 | -50.8 | -178.1 | 177.5 | -172.5 | 0 | 114.8 | V24 D28 S160 A161 G166 V167 | V24-K164 HydrophobicContact CG1-CG 3.96Å; D28-K164 WeakPolarHBondContact O-CE 3.43Å; D28-K164 PolarHBondContact O-NZ 3.49Å; D28-K164 WeakPolarHBondContact OD1-CE 3.16Å; D28-K164 IonicContact OD1-NZ 3.7Å; D28-K164 PolarHBondContact OD1-NZ 3.49Å; D28-K164 IonicContact OD2-NZ 2.95Å; D28-K164 PolarHBondContact OD2-NZ 2.83Å; S160-K164 CarbonylContact O-C 3.17Å; S160-K164 VanDerWaalsContact O-CA 3.24Å; S160-K164 WeakPolarHBondContact O-CA 3.47Å; S160-K164 PolarHBondContact O-N 3.11Å; A161-K164 PolarHBondContact O-N 3.35Å; K164-G166 PolarHBondContact O-N 2.8Å; K164-V167 PolarHBondContact O-N 3.37Å | ||
| 165 | D | 98.5 | Very high | 98.3 | Very high | 74 Ų | 74 | 40.2 Ų | 40.2 | 40% | 0.396 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 127.5 | 178 | -178.9 | 34.2 | 0 | 0 | 0 | 111.2 | K119 C159 S160 T163 V167 | K119-D165 WeakPolarHBondContact CD-OD2 3.42Å; K119-D165 WeakPolarHBondContact CE-OD2 3.49Å; K119-D165 IonicContact NZ-OD1 3.44Å; K119-D165 IonicContact NZ-OD2 3.61Å; K119-D165 PolarHBondContact NZ-OD2 2.65Å; C159-D165 CarbonylContact C-O 3.47Å; C159-D165 WeakPolarHBondContact CA-O 3.27Å; C159-D165 VanDerWaalsContact CB-O 3.27Å; C159-D165 WeakPolarHBondContact CB-O 3.42Å; S160-D165 PolarHBondContact N-O 2.96Å; S160-D165 PolarHBondContact O-N 3.28Å; T163-D165 PolarHBondContact O-N 3.39Å; T163-D165 VanDerWaalsContact O-N 3.17Å; T163-D165 WeakPolarHBondContact OG1-CB 3.41Å; D165-V167 PolarHBondContact O-N 2.96Å; D165-V167 VanDerWaalsContact O-N 3.14Å |
| 166 | G | 98.3 | Very high | 98.2 | Very high | 7 Ų | 7 | 43 Ų | 43 | 7% | 0.072 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | -2.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | K164 E169 V170 | K164-G166 PolarHBondContact O-N 2.8Å; G166-E169 WeakPolarHBondContact CA-OE2 3.36Å; G166-V170 WeakPolarHBondContact O-CG2 3.41Å; G166-V170 PolarHBondContact O-N 2.7Å |
| 167 | V | 98.5 | Very high | 98.2 | Very high | 7 Ų | 7 | 41.4 Ų | 41.4 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -52.2 | -175.4 | 170.7 | 0 | 0 | 0 | 0 | 110.1 | L21 V24 F25 C159 K164 D165 E169 V170 F171 | L21-V167 HydrophobicContact CD1-CB 4.38Å; L21-V167 HydrophobicContact CD1-CG1 3.98Å; L21-V167 HydrophobicContact CD1-CG2 4.06Å; V24-V167 HydrophobicContact CG1-CG1 4.27Å; V24-V167 HydrophobicContact CG1-CG2 4.26Å; F25-V167 HydrophobicContact CB-CG1 3.94Å; C159-V167 HydrophobicContact CB-CG2 4.38Å; K164-V167 PolarHBondContact O-N 3.37Å; D165-V167 PolarHBondContact O-N 2.96Å; D165-V167 VanDerWaalsContact O-N 3.14Å; V167-E169 VanDerWaalsContact C-N 3.31Å; V167-E169 PolarHBondContact O-N 3.25Å; V167-V170 WeakPolarHBondContact O-CB 3.42Å; V167-V170 PolarHBondContact O-N 2.82Å; V167-F171 HydrophobicContact CG1-CD2 4.36Å; V167-F171 HydrophobicContact CG1-CE2 4.1Å; V167-F171 WeakPolarHBondContact O-CD2 3.27Å |
| 168 | R | 97.6 | Very high | 98.1 | Very high | 136 Ų | 136 | 39.4 Ų | 39.4 | 51% | 0.513 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -61.8 | -42.4 | -176.7 | -175.8 | 177 | 176.9 | 102.9 | 3.9 | 111.3 | V170 F171 E172 | R168-V170 VanDerWaalsContact C-N 3.3Å; R168-V170 PolarHBondContact O-N 3.09Å; R168-F171 PolarHBondContact O-N 2.94Å; R168-F171 VanDerWaalsContact O-N 3.1Å; R168-E172 HydrophobicContact CG-CG 4.2Å; R168-E172 IonicContact CZ-OE1 3.11Å; R168-E172 IonicContact NE-OE1 3.33Å; R168-E172 PolarHBondContact NE-OE1 3.22Å; R168-E172 IonicContact NH2-OE1 2.67Å; R168-E172 WeakPolarHBondContact O-CG 3.49Å; R168-E172 PolarHBondContact O-N 3.02Å |
| 169 | E | 98.6 | Very high | 97.9 | Very high | 91 Ų | 91 | 39.9 Ų | 39.9 | 43% | 0.425 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63 | -34.9 | -177.4 | -63.6 | 84.3 | 166.4 | 0 | 0 | 112.2 | M157 G166 V167 E172 M173 | M157-E169 HydrophobicContact CE-CB 3.4Å; M157-E169 HydrophobicContact CE-CG 4.45Å; G166-E169 WeakPolarHBondContact CA-OE2 3.36Å; V167-E169 VanDerWaalsContact C-N 3.31Å; V167-E169 PolarHBondContact O-N 3.25Å; E169-E172 PolarHBondContact O-N 2.93Å; E169-M173 WeakPolarHBondContact O-CB 3.35Å; E169-M173 PolarHBondContact O-N 2.93Å |
| 170 | V | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.3 | -49.6 | 171.8 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | L21 L81 V115 M157 C159 G166 V167 R168 M173 A174 | L21-V170 HydrophobicContact CD2-CG1 4.38Å; L81-V170 HydrophobicContact CD1-CG1 3.88Å; L81-V170 HydrophobicContact CD2-CG1 3.9Å; V115-V170 HydrophobicContact CG1-CG1 4.35Å; V115-V170 HydrophobicContact CG1-CG2 3.98Å; V115-V170 HydrophobicContact CG2-CG1 3.82Å; V115-V170 HydrophobicContact CG2-CG2 4.45Å; M157-V170 HydrophobicContact CB-CG2 3.66Å; M157-V170 HydrophobicContact CG-CG2 4.39Å; C159-V170 HydrophobicContact CB-CG2 4.07Å; G166-V170 WeakPolarHBondContact O-CG2 3.41Å; G166-V170 PolarHBondContact O-N 2.7Å; V167-V170 WeakPolarHBondContact O-CB 3.42Å; V167-V170 PolarHBondContact O-N 2.82Å; R168-V170 VanDerWaalsContact C-N 3.3Å; R168-V170 PolarHBondContact O-N 3.09Å; V170-M173 PolarHBondContact O-N 3.32Å; V170-A174 WeakPolarHBondContact O-CB 3.31Å; V170-A174 PolarHBondContact O-N 2.98Å |
| 171 | F | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -73.6 | -31.9 | -178.2 | -67.7 | -86.6 | 0 | 0 | 0 | 112.6 | L8 L21 L22 F25 I46 L55 L57 L81 V167 R168 T175 | L8-F171 HydrophobicContact CD1-CD1 3.97Å; L8-F171 HydrophobicContact CD1-CE1 4.17Å; L21-F171 HydrophobicContact CD1-CE2 3.8Å; L21-F171 HydrophobicContact CD1-CZ 4.36Å; L21-F171 HydrophobicContact CG-CE2 3.95Å; L21-F171 HydrophobicContact CG-CZ 4Å; L22-F171 HydrophobicContact CD2-CE1 3.86Å; L22-F171 HydrophobicContact CD2-CZ 3.85Å; F25-F171 HydrophobicContact CB-CD2 3.71Å; F25-F171 HydrophobicContact CB-CE1 4.33Å; F25-F171 HydrophobicContact CB-CE2 3.26Å; F25-F171 HydrophobicContact CB-CG 4.44Å; F25-F171 HydrophobicContact CB-CZ 3.6Å; F25-F171 AromaticContact CD1-CD1 3.55Å; F25-F171 HydrophobicContact CD1-CD1 3.55Å; F25-F171 AromaticContact CD1-CD2 3.85Å; F25-F171 HydrophobicContact CD1-CD2 3.85Å; F25-F171 AromaticContact CD1-CE1 3.54Å; F25-F171 HydrophobicContact CD1-CE1 3.54Å; F25-F171 AromaticContact CD1-CE2 3.89Å; F25-F171 HydrophobicContact CD1-CE2 3.89Å; F25-F171 AromaticContact CD1-CG 3.7Å; F25-F171 HydrophobicContact CD1-CG 3.7Å; F25-F171 AromaticContact CD1-CZ 3.72Å; F25-F171 HydrophobicContact CD1-CZ 3.72Å; F25-F171 HydrophobicContact CD2-CB 3.98Å; F25-F171 HydrophobicContact CD2-CD1 4.33Å; F25-F171 AromaticContact CD2-CD2 3.33Å; F25-F171 HydrophobicContact CD2-CD2 3.33Å; F25-F171 AromaticContact CD2-CE2 3.88Å; F25-F171 HydrophobicContact CD2-CE2 3.88Å; F25-F171 AromaticContact CD2-CG 3.62Å; F25-F171 HydrophobicContact CD2-CG 3.62Å; F25-F171 HydrophobicContact CE1-CB 4.16Å; F25-F171 AromaticContact CE1-CD1 3.56Å; F25-F171 HydrophobicContact CE1-CD1 3.56Å; F25-F171 HydrophobicContact CE1-CD2 4.31Å; F25-F171 AromaticContact CE1-CE1 4Å; F25-F171 HydrophobicContact CE1-CE1 4Å; F25-F171 AromaticContact CE1-CG 3.74Å; F25-F171 HydrophobicContact CE1-CG 3.74Å; F25-F171 HydrophobicContact CE2-CB 3.57Å; F25-F171 HydrophobicContact CE2-CD1 4.36Å; F25-F171 AromaticContact CE2-CD2 3.87Å; F25-F171 HydrophobicContact CE2-CD2 3.87Å; F25-F171 AromaticContact CE2-CG 3.67Å; F25-F171 HydrophobicContact CE2-CG 3.67Å; F25-F171 HydrophobicContact CG-CB 4.45Å; F25-F171 AromaticContact CG-CD1 3.95Å; F25-F171 HydrophobicContact CG-CD1 3.95Å; F25-F171 AromaticContact CG-CD2 3.32Å; F25-F171 HydrophobicContact CG-CD2 3.32Å; F25-F171 AromaticContact CG-CE1 3.97Å; F25-F171 HydrophobicContact CG-CE1 3.97Å; F25-F171 AromaticContact CG-CE2 3.4Å; F25-F171 HydrophobicContact CG-CE2 3.4Å; F25-F171 AromaticContact CG-CG 3.64Å; F25-F171 HydrophobicContact CG-CG 3.64Å; F25-F171 AromaticContact CG-CZ 3.7Å; F25-F171 HydrophobicContact CG-CZ 3.7Å; F25-F171 HydrophobicContact CZ-CB 3.67Å; F25-F171 AromaticContact CZ-CD1 4Å; F25-F171 HydrophobicContact CZ-CD1 4Å; F25-F171 HydrophobicContact CZ-CD2 4.32Å; F25-F171 AromaticContact CZ-CG 3.74Å; F25-F171 HydrophobicContact CZ-CG 3.74Å; I46-F171 HydrophobicContact CD1-CB 3.98Å; L55-F171 HydrophobicContact CD1-CB 4.48Å; L55-F171 HydrophobicContact CD1-CD1 4.19Å; L57-F171 HydrophobicContact CD2-CD1 4.32Å; L57-F171 HydrophobicContact CD2-CE1 3.98Å; L81-F171 HydrophobicContact CD1-CE1 4.05Å; L81-F171 HydrophobicContact CD1-CZ 4.27Å; V167-F171 HydrophobicContact CG1-CD2 4.36Å; V167-F171 HydrophobicContact CG1-CE2 4.1Å; V167-F171 WeakPolarHBondContact O-CD2 3.27Å; R168-F171 PolarHBondContact O-N 2.94Å; R168-F171 VanDerWaalsContact O-N 3.1Å; F171-T175 VanDerWaalsContact O-CB 3.23Å; F171-T175 WeakPolarHBondContact O-CB 3.19Å; F171-T175 PolarHBondContact O-N 3.17Å; F171-T175 PolarHBondContact O-OG1 3.31Å |
| 172 | E | 98.3 | Very high | 95 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 23% | 0.229 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 171.7 | -70.8 | -177.4 | 176 | 0 | 0 | 111.4 | I46 V48 R168 E169 T175 R176 | I46-E172 HydrophobicContact CD1-CG 3.81Å; V48-E172 HydrophobicContact CG2-CB 4.32Å; V48-E172 HydrophobicContact CG2-CG 4.14Å; R168-E172 HydrophobicContact CG-CG 4.2Å; R168-E172 IonicContact CZ-OE1 3.11Å; R168-E172 IonicContact NE-OE1 3.33Å; R168-E172 PolarHBondContact NE-OE1 3.22Å; R168-E172 IonicContact NH2-OE1 2.67Å; R168-E172 WeakPolarHBondContact O-CG 3.49Å; R168-E172 PolarHBondContact O-N 3.02Å; E169-E172 PolarHBondContact O-N 2.93Å; E172-T175 PolarHBondContact O-N 3.23Å; E172-R176 VanDerWaalsContact O-CB 3.31Å; E172-R176 WeakPolarHBondContact O-CB 3.39Å; E172-R176 PolarHBondContact O-N 3.01Å |
| 173 | M | 98.6 | Very high | 93 | Very high | 40 Ų | 40 | 58.9 Ų | 58.9 | 20% | 0.197 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63 | -46.8 | 175.7 | -175.7 | -179.1 | -72 | 0 | 0 | 111.7 | I113 F154 M157 E169 V170 T175 R176 A177 | I113-M173 HydrophobicContact CD1-CG 3.82Å; I113-M173 HydrophobicContact CD1-SD 4.04Å; I113-M173 HydrophobicContact CG1-CG 4.47Å; I113-M173 HydrophobicContact CG2-CG 4.49Å; I113-M173 HydrophobicContact CG2-SD 3.85Å; F154-M173 HydrophobicContact CD1-CG 4.38Å; F154-M173 HydrophobicContact CE1-CG 4.36Å; M157-M173 HydrophobicContact CG-CE 3.49Å; M157-M173 VanDerWaalsContact CG-CE 3.49Å; M157-M173 HydrophobicContact CG-SD 3.62Å; M157-M173 HydrophobicContact SD-CE 3.35Å; M157-M173 WeakPolarHBondContact SD-CE 3.22Å; M157-M173 HydrophobicContact SD-SD 4.33Å; E169-M173 WeakPolarHBondContact O-CB 3.35Å; E169-M173 PolarHBondContact O-N 2.93Å; V170-M173 PolarHBondContact O-N 3.32Å; M173-T175 PolarHBondContact O-N 3.39Å; M173-R176 PolarHBondContact O-N 3.48Å; M173-A177 PolarHBondContact O-N 3.13Å |
| 174 | A | 98.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L8 V79 L81 I113 V170 R176 A177 A178 | L8-A174 HydrophobicContact CD1-CB 3.89Å; V79-A174 HydrophobicContact CG1-CB 4.24Å; V79-A174 HydrophobicContact CG2-CB 3.97Å; L81-A174 HydrophobicContact CD2-CB 3.77Å; I113-A174 HydrophobicContact CG1-CB 3.97Å; V170-A174 WeakPolarHBondContact O-CB 3.31Å; V170-A174 PolarHBondContact O-N 2.98Å; A174-R176 PolarHBondContact O-N 2.96Å; A174-A177 PolarHBondContact O-N 3Å; A174-A178 WeakPolarHBondContact O-CB 3.38Å; A174-A178 PolarHBondContact O-N 2.83Å |
| 175 | T | 97.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.5 | -44 | 176.4 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | I46 V48 V53 F171 E172 M173 A177 A178 L179 | I46-T175 HydrophobicContact CG2-CG2 4.17Å; V48-T175 HydrophobicContact CB-CG2 3.98Å; V48-T175 HydrophobicContact CG2-CG2 3.71Å; V53-T175 HydrophobicContact CB-CG2 4.01Å; V53-T175 HydrophobicContact CG1-CG2 4.07Å; V53-T175 HydrophobicContact CG2-CG2 3.82Å; F171-T175 VanDerWaalsContact O-CB 3.23Å; F171-T175 WeakPolarHBondContact O-CB 3.19Å; F171-T175 PolarHBondContact O-N 3.17Å; F171-T175 PolarHBondContact O-OG1 3.31Å; E172-T175 PolarHBondContact O-N 3.23Å; M173-T175 PolarHBondContact O-N 3.39Å; T175-A177 PolarHBondContact O-N 3.35Å; T175-A178 WeakPolarHBondContact O-CB 3.29Å; T175-A178 PolarHBondContact O-N 3.33Å; T175-L179 HydrophobicContact CG2-CD1 4.05Å; T175-L179 HydrophobicContact CG2-CG 4.41Å; T175-L179 WeakPolarHBondContact O-CB 3.44Å; T175-L179 VanDerWaalsContact O-CG 3.26Å; T175-L179 WeakPolarHBondContact O-CG 3.21Å; T175-L179 PolarHBondContact O-N 3.15Å |
| 176 | R | 97.4 | Very high | 85.2 | Confident | 75 Ų | 75 | 68.8 Ų | 68.8 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60 | -45.3 | 176.2 | -171.8 | 175.1 | -64.6 | 111.1 | -0.7 | 111.5 | V48 D49 E172 M173 A174 L179 Q180 | V48-R176 HydrophobicContact CG1-CB 4.31Å; D49-R176 IonicContact OD1-CZ 3.71Å; D49-R176 IonicContact OD1-NE 3.56Å; D49-R176 IonicContact OD1-NH2 2.95Å; D49-R176 PolarHBondContact OD1-NH2 3.44Å; D49-R176 IonicContact OD2-CZ 3.87Å; D49-R176 IonicContact OD2-NE 3.01Å; D49-R176 PolarHBondContact OD2-NE 3.34Å; D49-R176 IonicContact OD2-NH2 3.82Å; E172-R176 VanDerWaalsContact O-CB 3.31Å; E172-R176 WeakPolarHBondContact O-CB 3.39Å; E172-R176 PolarHBondContact O-N 3.01Å; M173-R176 PolarHBondContact O-N 3.48Å; A174-R176 PolarHBondContact O-N 2.96Å; R176-L179 PolarHBondContact O-N 2.84Å; R176-Q180 VanDerWaalsContact O-CG 3.32Å; R176-Q180 WeakPolarHBondContact O-CG 3.44Å; R176-Q180 PolarHBondContact O-N 2.52Å; R176-Q180 VanDerWaalsContact O-N 3.07Å |
| 177 | A | 97.5 | Very high | 82.6 | Confident | 1 Ų | 1 | 77.8 Ų | 77.8 | 1% | 0.008 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V79 P111 I113 F154 M173 A174 T175 L179 Q180 A181 | V79-A177 HydrophobicContact CG2-CB 4.42Å; P111-A177 HydrophobicContact CB-CB 3.99Å; P111-A177 HydrophobicContact CG-CB 4.01Å; I113-A177 HydrophobicContact CD1-CB 4.05Å; F154-A177 HydrophobicContact CD1-CB 3.63Å; F154-A177 HydrophobicContact CD2-CB 4.01Å; F154-A177 HydrophobicContact CE1-CB 3.72Å; F154-A177 HydrophobicContact CE2-CB 4.09Å; F154-A177 HydrophobicContact CG-CB 3.78Å; F154-A177 HydrophobicContact CZ-CB 3.96Å; M173-A177 PolarHBondContact O-N 3.13Å; A174-A177 PolarHBondContact O-N 3Å; T175-A177 PolarHBondContact O-N 3.35Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.07Å; A177-Q180 PolarHBondContact O-N 3.35Å; A177-A181 PolarHBondContact O-N 3.43Å |
| 178 | A | 96.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60.8 | -36.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | K6 D78 V79 A174 T175 | K6-A178 HydrophobicContact CD-CB 4.05Å; K6-A178 WeakPolarHBondContact CE-O 3.36Å; K6-A178 HydrophobicContact CG-CB 4.26Å; K6-A178 PolarHBondContact NZ-O 2.91Å; D78-A178 HydrophobicContact CB-CB 4.07Å; V79-A178 HydrophobicContact CB-CB 3.98Å; V79-A178 HydrophobicContact CG1-CB 3.96Å; A174-A178 WeakPolarHBondContact O-CB 3.38Å; A174-A178 PolarHBondContact O-N 2.83Å; T175-A178 WeakPolarHBondContact O-CB 3.29Å; T175-A178 PolarHBondContact O-N 3.33Å |
| 179 | L | 95 | Very high | 77.4 | Confident | 34 Ų | 34 | 79.6 Ų | 79.6 | 18% | 0.178 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -72.3 | -35.2 | 177.1 | -71.3 | 172.4 | 0 | 0 | 0 | 112.3 | I4 K51 V53 T175 R176 A177 | I4-L179 HydrophobicContact CD1-CD2 4.31Å; I4-L179 HydrophobicContact CG2-CD2 3.92Å; K51-L179 HydrophobicContact CD-CD1 4.24Å; V53-L179 HydrophobicContact CG2-CD1 4.19Å; V53-L179 HydrophobicContact CG2-CD2 4.29Å; T175-L179 HydrophobicContact CG2-CD1 4.05Å; T175-L179 HydrophobicContact CG2-CG 4.41Å; T175-L179 WeakPolarHBondContact O-CB 3.44Å; T175-L179 VanDerWaalsContact O-CG 3.26Å; T175-L179 WeakPolarHBondContact O-CG 3.21Å; T175-L179 PolarHBondContact O-N 3.15Å; R176-L179 PolarHBondContact O-N 2.84Å; A177-L179 VanDerWaalsContact C-N 3.31Å; A177-L179 PolarHBondContact O-N 3.07Å |
| 180 | Q | 91.8 | Very high | 74.6 | Confident | 96 Ų | 96 | 80.5 Ų | 80.5 | 45% | 0.449 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -74.4 | -38.2 | 179.4 | -70.5 | 178.7 | 19.1 | 0 | 0 | 112.7 | R176 A177 R182 R183 | R176-Q180 VanDerWaalsContact O-CG 3.32Å; R176-Q180 WeakPolarHBondContact O-CG 3.44Å; R176-Q180 PolarHBondContact O-N 2.52Å; R176-Q180 VanDerWaalsContact O-N 3.07Å; A177-Q180 PolarHBondContact O-N 3.35Å; Q180-R182 PolarHBondContact O-N 3.46Å; Q180-R182 VanDerWaalsContact O-N 3.09Å; Q180-R183 WeakPolarHBondContact O-CB 3.48Å; Q180-R183 PolarHBondContact O-N 2.96Å |
| 181 | A | 80.9 | Confident | 72.1 | Confident | 46 Ų | 46 | 87.5 Ų | 87.5 | 38% | 0.38 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -57.1 | -29.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | P111 A177 R183 G184 | P111-A181 HydrophobicContact CG-CB 4.22Å; A177-A181 PolarHBondContact O-N 3.43Å; A181-R183 VanDerWaalsContact C-N 3.26Å; A181-R183 PolarHBondContact O-N 3.38Å; A181-G184 PolarHBondContact O-N 3.17Å |
| 182 | R | 62.7 | Low | 69.5 | Low | 178 Ų | 178 | 95.1 Ų | 95.1 | 67% | 0.672 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -69.1 | -17.8 | 177.4 | -73.8 | -174.6 | 85.9 | 174.3 | 9.3 | 113.9 | Q180 G184 | Q180-R182 PolarHBondContact O-N 3.46Å; Q180-R182 VanDerWaalsContact O-N 3.09Å; R182-G184 PolarHBondContact O-N 2.71Å |
| 183 | R | 53.7 | Low | 66.9 | Low | 228 Ų | 228 | 103.5 Ų | 103.5 | 86% | 0.86 | 54% | 0.536 | S | S | * | . | G | 310 helix | trans | -71.5 | -16.1 | 177.8 | -80.8 | -179.8 | 156.4 | 170.2 | -6.7 | 113.5 | Q180 A181 | Q180-R183 WeakPolarHBondContact O-CB 3.48Å; Q180-R183 PolarHBondContact O-N 2.96Å; A181-R183 VanDerWaalsContact C-N 3.26Å; A181-R183 PolarHBondContact O-N 3.38Å |
| 184 | G | 46.2 | Very low | 65.3 | Low | 71 Ų | 71 | 106.7 Ų | 106.7 | 73% | 0.732 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -85.5 | -12.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | A181 R182 K186 | A181-G184 PolarHBondContact O-N 3.17Å; R182-G184 PolarHBondContact O-N 2.71Å; G184-K186 VanDerWaalsContact C-N 3.35Å; G184-K186 PolarHBondContact O-N 2.94Å |
| 185 | K | 46.3 | Very low | 63.6 | Low | 191 Ų | 191 | 112.3 Ų | 112.3 | 83% | 0.83 | 58% | 0.582 | S | S | * | * | trans | -89.7 | 34.2 | -178.2 | -75.5 | -170.6 | 177.1 | 178.8 | 0 | 114.3 | ||||
| 186 | K | 38 | Very low | 61.7 | Low | 194 Ų | 194 | 118.5 Ų | 118.5 | 84% | 0.843 | 62% | 0.615 | S | S | * | * | trans | -95.2 | 95.2 | 171.5 | -91.8 | -172.2 | 176.6 | -178.5 | 0 | 111.7 | G184 | G184-K186 VanDerWaalsContact C-N 3.35Å; G184-K186 PolarHBondContact O-N 2.94Å | ||
| 187 | K | 42.9 | Very low | 59.6 | Low | 197 Ų | 197 | 121.1 Ų | 121.1 | 86% | 0.857 | 63% | 0.634 | S | S | * | * | trans | 55.2 | 96.3 | 151.3 | -57.5 | -170.2 | -178.7 | -173.1 | 0 | 119 | ||||
| 188 | S | 46 | Very low | 57.2 | Low | 124 Ų | 124 | 128.6 Ų | 128.6 | 87% | 0.867 | 67% | 0.673 | S | S | * | * | trans | -88.8 | 90.3 | 132.5 | 175.3 | 0 | 0 | 0 | 0 | 107 | C190 | S188-C190 PolarHBondContact O-N 3.46Š| ||
| 189 | G | 41 | Very low | 54.6 | Low | 56 Ų | 56 | 137.1 Ų | 137.1 | 58% | 0.577 | 72% | 0.718 | S | S | * | * | trans | -65.4 | 118.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | L191 | G189-L191 PolarHBondContact O-N 2.84Š| ||
| 190 | C | 39.4 | Very low | 51.7 | Low | 110 Ų | 110 | 144.5 Ų | 144.5 | 74% | 0.743 | 76% | 0.757 | S | S | * | * | trans | -60.6 | 105.1 | 167 | -167.7 | 0 | 0 | 0 | 0 | 107.4 | S188 L192 | S188-C190 PolarHBondContact O-N 3.46Å; C190-L192 PolarHBondContact O-N 3.47Å | ||
| 191 | L | 47.3 | Very low | 48.6 | Very low | 147 Ų | 147 | 148.2 Ų | 148.2 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -78 | 100.1 | 159.1 | -111.5 | 101.3 | 0 | 0 | 0 | 105.7 | G189 L193 | G189-L191 PolarHBondContact O-N 2.84Å; L191-L193 HydrophobicContact CD2-CG 4.39Å; L191-L193 PolarHBondContact O-N 2.65Å | ||
| 192 | L | 43.4 | Very low | 45.9 | Very low | 160 Ų | 160 | 156.8 Ų | 156.8 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -72.6 | 108.3 | 157.2 | -73.7 | 162.6 | 0 | 0 | 0 | 106.1 | C190 | C190-L192 PolarHBondContact O-N 3.47Š| ||
| 193 | L | 44.2 | Very low | 44.4 | Very low | 225 Ų | 225 | 154.8 Ų | 154.8 | 100% | 1.178 | 83% | 0.827 | S | S | * | * | trans | -95.7 | 0 | 158.1 | -80.7 | 167.9 | 0 | 0 | 0 | 108 | L191 | L191-L193 HydrophobicContact CD2-CG 4.39Å; L191-L193 PolarHBondContact O-N 2.65Å |
Retrieved 193 of 193 residues in 1466.1 ms
(Link to these results)