| 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 | Very low | 87.7 | Confident | 242 Ų | 242 | 60.5 Ų | 60.5 | 100% | 1.192 | 33% | 0.33 | S | S | * | . | 0 | 138.3 | 0 | -125.5 | -175.2 | -84.5 | 0 | 0 | 106.8 | A3 | M1-A3 PolarHBondContact O-N 3.01Š| |||
| 2 | A | 59.1 | Low | 88.6 | Confident | 99 Ų | 99 | 55.5 Ų | 55.5 | 82% | 0.818 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -63 | 127.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | I4 | A2-I4 PolarHBondContact O-N 3.25Š|
| 3 | A | 75.7 | Confident | 89.4 | Confident | 62 Ų | 62 | 52.8 Ų | 52.8 | 51% | 0.512 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 138.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 109 | M1 R5 E54 | M1-A3 PolarHBondContact O-N 3.01Å; A3-R5 PolarHBondContact O-N 2.96Å; A3-R5 VanDerWaalsContact O-N 3.12Å; A3-E54 HydrophobicContact CB-CB 4.49Å |
| 4 | I | 93.9 | Very high | 89.8 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 35% | 0.354 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 116.6 | 172.6 | -65.3 | 164.8 | 0 | 0 | 0 | 105.9 | A2 K6 K51 V53 E54 L179 | A2-I4 PolarHBondContact O-N 3.25Å; I4-K6 HydrophobicContact CG2-CG 4.31Å; I4-K51 HydrophobicContact CD1-CB 4.18Å; I4-K51 HydrophobicContact CD1-CD 4.22Å; I4-K51 HydrophobicContact CD1-CG 4.39Å; I4-V53 HydrophobicContact CB-CG2 4.32Å; I4-V53 HydrophobicContact CG2-CG2 4.33Å; I4-V53 CarbonylContact O-C 3.53Å; I4-V53 VanDerWaalsContact O-CA 3.23Å; I4-V53 WeakPolarHBondContact O-CA 3.45Å; I4-V53 WeakPolarHBondContact O-CG1 3.46Å; I4-E54 PolarHBondContact O-N 3.05Å; I4-L179 HydrophobicContact CD1-CD2 4.43Å; I4-L179 HydrophobicContact CG2-CD2 3.69Å |
| 5 | R | 96.2 | Very high | 90.2 | Very high | 154 Ų | 154 | 51.5 Ų | 51.5 | 58% | 0.581 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133 | 178.6 | -166.6 | 173.7 | -173.7 | -174.2 | -1 | 110.6 | A3 E54 | A3-R5 PolarHBondContact O-N 2.96Å; A3-R5 VanDerWaalsContact O-N 3.12Å; R5-E54 WeakPolarHBondContact CA-O 3.21Å; R5-E54 WeakPolarHBondContact CD-OE1 3.18Å; R5-E54 HydrophobicContact CG-CB 4.45Å; R5-E54 IonicContact CZ-OE1 4Å; R5-E54 IonicContact NE-OE1 2.91Å; R5-E54 PolarHBondContact NE-OE1 2.91Å; R5-E54 IonicContact NH2-OE1 3.73Å |
| 6 | K | 97.5 | Very high | 90.7 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 136.5 | 178.2 | -70.3 | -61.7 | -174.6 | 167.4 | 0 | 111.1 | I4 V53 E54 L55 A56 D78 A178 | I4-K6 HydrophobicContact CG2-CG 4.31Å; K6-V53 HydrophobicContact CB-CG1 3.93Å; K6-V53 HydrophobicContact CG-CG1 3.83Å; K6-E54 PolarHBondContact N-O 2.91Å; K6-L55 HydrophobicContact CB-CD2 3.93Å; K6-L55 CarbonylContact O-C 3.58Å; K6-L55 WeakPolarHBondContact O-CA 3.36Å; K6-A56 PolarHBondContact O-N 3.17Å; K6-D78 WeakPolarHBondContact CA-OD2 3.41Å; K6-D78 HydrophobicContact CB-CB 4.43Å; K6-D78 HydrophobicContact CD-CB 3.73Å; K6-D78 WeakPolarHBondContact CD-OD1 3.16Å; K6-D78 WeakPolarHBondContact CD-OD2 3.25Å; K6-D78 IonicContact NZ-OD1 3.48Å; K6-D78 PolarHBondContact NZ-OD1 3.49Å; K6-A178 HydrophobicContact CB-CB 4.29Å; K6-A178 HydrophobicContact CD-CB 4.04Å; K6-A178 WeakPolarHBondContact CE-O 3.25Å; K6-A178 HydrophobicContact CG-CB 4.11Å; K6-A178 PolarHBondContact NZ-O 3.04Å |
| 7 | K | 98.1 | Very high | 91.1 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 10% | 0.104 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 124.1 | 176.2 | 178.6 | 171.9 | 169.8 | 173 | 0 | 110.4 | V9 W58 S73 P75 D78 V79 | K7-V9 HydrophobicContact CG-CG2 4.45Å; K7-W58 HydrophobicContact CD-CD2 4.42Å; K7-W58 HydrophobicContact CD-CG 4.5Å; K7-W58 VanDerWaalsContact CE-CD2 3.44Å; K7-W58 VanDerWaalsContact CE-CE2 3.45Å; K7-W58 HydrophobicContact CG-CG 4.4Å; K7-S73 WeakPolarHBondContact CE-O 3.05Å; K7-S73 PolarHBondContact NZ-O 2.87Å; K7-P75 WeakPolarHBondContact CE-O 3.3Å; K7-P75 PolarHBondContact NZ-O 2.85Å; K7-D78 PolarHBondContact N-OD2 3.34Å; K7-D78 WeakPolarHBondContact O-CA 3.39Å; K7-D78 WeakPolarHBondContact O-CB 3.37Å; K7-D78 PolarHBondContact O-N 2.89Å; K7-V79 PolarHBondContact O-N 3.42Å |
| 8 | L | 98.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.9 | 173.7 | 179 | 158.8 | 0 | 0 | 0 | 108.2 | I10 L22 A56 L57 W58 V79 L81 F171 A174 | L8-I10 HydrophobicContact CD2-CB 4.5Å; L8-L22 HydrophobicContact CD2-CD2 4.32Å; L8-A56 PolarHBondContact N-O 3.37Å; L8-L57 HydrophobicContact CB-CD2 4.1Å; L8-L57 HydrophobicContact CD1-CD2 4.19Å; L8-L57 HydrophobicContact CD2-CD2 4.08Å; L8-L57 HydrophobicContact CG-CD2 4.37Å; L8-W58 PolarHBondContact O-N 2.86Å; L8-V79 WeakPolarHBondContact CA-O 3.37Å; L8-V79 HydrophobicContact CB-CG1 3.84Å; L8-V79 HydrophobicContact CD1-CG1 4.03Å; L8-V79 HydrophobicContact CG-CG1 3.91Å; L8-L81 HydrophobicContact CD1-CD1 3.97Å; L8-L81 HydrophobicContact CD1-CG 3.89Å; L8-L81 HydrophobicContact CD2-CB 4.42Å; L8-L81 HydrophobicContact CD2-CD1 3.94Å; L8-L81 HydrophobicContact CD2-CG 3.91Å; L8-L81 HydrophobicContact CG-CD1 4.41Å; L8-L81 HydrophobicContact CG-CG 4.08Å; L8-F171 HydrophobicContact CD1-CD1 3.95Å; L8-F171 HydrophobicContact CD1-CE1 4.08Å; L8-A174 HydrophobicContact CD1-CB 3.92Å |
| 9 | V | 98.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.1 | 171.1 | 179.9 | 0 | 0 | 0 | 0 | 108.3 | K7 V11 W58 T60 S73 Y74 T77 V79 I80 L81 | K7-V9 HydrophobicContact CG-CG2 4.45Å; V9-V11 HydrophobicContact CG1-CG1 4.15Å; V9-W58 HydrophobicContact CB-CB 4.26Å; V9-W58 HydrophobicContact CG1-CB 4.36Å; V9-W58 HydrophobicContact CG2-CB 3.76Å; V9-W58 HydrophobicContact CG2-CG 4.17Å; V9-T60 HydrophobicContact CG1-CG2 3.82Å; V9-S73 VanDerWaalsContact CG2-O 3.32Å; V9-S73 WeakPolarHBondContact CG2-O 3.34Å; V9-Y74 HydrophobicContact CG1-CD1 4.01Å; V9-Y74 HydrophobicContact CG1-CE1 3.85Å; V9-T77 HydrophobicContact CB-CG2 4.08Å; V9-T77 HydrophobicContact CG2-CG2 3.74Å; V9-T77 VanDerWaalsContact CG2-OG1 3.22Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.5Å; V9-V79 PolarHBondContact N-O 3.24Å; V9-I80 HydrophobicContact CB-CD1 4.01Å; V9-I80 WeakPolarHBondContact O-CA 3.36Å; V9-L81 PolarHBondContact O-N 3.4Å |
| 10 | I | 98.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 134.6 | 173.4 | -168.8 | 165.6 | 0 | 0 | 0 | 110.5 | L8 K18 L21 L22 W58 T60 L81 C83 | L8-I10 HydrophobicContact CD2-CB 4.5Å; I10-K18 HydrophobicContact CD1-CB 3.78Å; I10-K18 HydrophobicContact CD1-CG 3.95Å; I10-K18 HydrophobicContact CG1-CB 4.01Å; I10-K18 HydrophobicContact CG1-CD 3.99Å; I10-K18 HydrophobicContact CG1-CG 3.87Å; I10-K18 HydrophobicContact CG2-CB 4.03Å; I10-K18 HydrophobicContact CG2-CD 4.39Å; I10-L21 HydrophobicContact CD1-CD2 4.12Å; I10-L22 HydrophobicContact CG2-CD1 3.63Å; I10-L22 HydrophobicContact CG2-CD2 4.28Å; I10-L22 HydrophobicContact CG2-CG 4.08Å; I10-W58 PolarHBondContact N-O 2.91Å; I10-T60 WeakPolarHBondContact O-CG2 3.39Å; I10-T60 PolarHBondContact O-OG1 3.06Å; I10-L81 CarbonylContact C-O 3.5Å; I10-L81 VanDerWaalsContact CA-O 3.27Å; I10-L81 WeakPolarHBondContact CA-O 3.15Å; I10-L81 HydrophobicContact CB-CB 4.07Å; I10-L81 HydrophobicContact CD1-CB 4.12Å; I10-L81 HydrophobicContact CD1-CD1 4.26Å; I10-L81 HydrophobicContact CG1-CB 3.78Å; I10-C83 HydrophobicContact CD1-CB 4.22Å; I10-C83 HydrophobicContact CG1-CB 4.26Å |
| 11 | V | 98.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 167.8 | 178.9 | -56.9 | 0 | 0 | 0 | 0 | 110.1 | V9 K18 Y74 I80 L81 M82 C83 W99 V103 | V9-V11 HydrophobicContact CG1-CG1 4.15Å; V11-K18 VanDerWaalsContact C-CD 3.49Å; V11-Y74 HydrophobicContact CG1-CE1 3.72Å; V11-Y74 VanDerWaalsContact CG1-OH 3.31Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.44Å; V11-I80 HydrophobicContact CG2-CG2 4.05Å; V11-L81 PolarHBondContact N-O 3.28Å; V11-M82 HydrophobicContact CG2-CB 4.25Å; V11-M82 HydrophobicContact CG2-CE 4.25Å; V11-M82 HydrophobicContact CG2-CG 4.18Å; V11-C83 PolarHBondContact O-N 3.19Å; V11-W99 HydrophobicContact CB-CE3 3.81Å; V11-W99 HydrophobicContact CB-CZ3 4.08Å; V11-W99 HydrophobicContact CG2-CE3 4.16Å; V11-V103 HydrophobicContact CG1-CG2 4.45Å; V11-V103 HydrophobicContact CG2-CG2 3.8Å |
| 12 | G | 98.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | 135.7 | 169 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | K18 G62 C83 W99 | G12-K18 PolarHBondContact O-NZ 3.17Å; G12-G62 WeakPolarHBondContact O-CA 3.23Å; G12-C83 VanDerWaalsContact CA-O 3.27Å; G12-C83 WeakPolarHBondContact CA-O 3.5Å; G12-W99 VanDerWaalsContact O-CH2 3.3Å; G12-W99 WeakPolarHBondContact O-CH2 3.21Å; G12-W99 WeakPolarHBondContact O-CZ2 3.18Å | ||
| 13 | D | 98.3 | Very high | 96.6 | Very high | 21 Ų | 21 | 24.9 Ų | 24.9 | 11% | 0.112 | 15% | 0.147 | C | C | . | . | trans | -56.6 | 161.9 | -174.2 | -80.6 | 2.6 | 0 | 0 | 0 | 114.6 | C16 K18 S91 N94 W99 | D13-C16 PolarHBondContact O-SG 3.45Å; D13-K18 PolarHBondContact O-NZ 2.73Å; D13-S91 VanDerWaalsContact OD2-CA 3.28Å; D13-S91 WeakPolarHBondContact OD2-CA 3.32Å; D13-N94 PolarHBondContact OD2-ND2 3.38Å; D13-W99 WeakPolarHBondContact OD1-CZ2 3.45Å; D13-W99 PolarHBondContact OD1-NE1 2.87Å | ||
| 14 | G | 95.7 | Very high | 97.6 | Very high | 35 Ų | 35 | 22.1 Ų | 22.1 | 36% | 0.361 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | 144.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | C16 G62 | G14-C16 PolarHBondContact O-N 3.19Å; G14-G62 PolarHBondContact N-O 3.21Å |
| 15 | A | 95.6 | Very high | 97.8 | Very high | 51 Ų | 51 | 20.7 Ų | 20.7 | 42% | 0.421 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.4 | 10.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | G17 Y34 K118 | A15-G17 PolarHBondContact O-N 3.35Å; A15-Y34 PolarHBondContact N-OH 3.38Å; A15-K118 WeakPolarHBondContact O-CE 3.35Å; A15-K118 PolarHBondContact O-NZ 2.77Å |
| 16 | C | 97.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.007 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -73.7 | -3.6 | 171.4 | 72.8 | 0 | 0 | 0 | 0 | 113.8 | D13 G14 K18 C83 N117 | D13-C16 PolarHBondContact O-SG 3.45Å; G14-C16 PolarHBondContact O-N 3.19Å; C16-K18 VanDerWaalsContact SG-CG 3.55Å; C16-C83 PolarHBondContact SG-O 3.12Å; C16-C83 VanDerWaalsContact SG-O 3.39Å; C16-N117 PolarHBondContact O-ND2 2.65Å |
| 17 | G | 97.9 | Very high | 97.7 | Very high | 12 Ų | 12 | 20.3 Ų | 20.3 | 12% | 0.124 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 90.9 | 23.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A15 T19 C20 L21 N117 | A15-G17 PolarHBondContact O-N 3.35Å; G17-T19 PolarHBondContact O-N 2.91Å; G17-C20 PolarHBondContact O-N 3.11Å; G17-L21 WeakPolarHBondContact O-CB 3.41Å; G17-L21 PolarHBondContact O-N 3.32Å; G17-N117 PolarHBondContact O-ND2 3.48Å |
| 18 | K | 98.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 24.3 Ų | 24.3 | 4% | 0.043 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -50.3 | -55.1 | 175.3 | -59 | -173.9 | -62.8 | -74.2 | 0 | 112.6 | I10 V11 G12 D13 C16 C20 L21 L22 T60 C83 | I10-K18 HydrophobicContact CD1-CB 3.78Å; I10-K18 HydrophobicContact CD1-CG 3.95Å; I10-K18 HydrophobicContact CG1-CB 4.01Å; I10-K18 HydrophobicContact CG1-CD 3.99Å; I10-K18 HydrophobicContact CG1-CG 3.87Å; I10-K18 HydrophobicContact CG2-CB 4.03Å; I10-K18 HydrophobicContact CG2-CD 4.39Å; V11-K18 VanDerWaalsContact C-CD 3.49Å; G12-K18 PolarHBondContact O-NZ 3.17Å; D13-K18 PolarHBondContact O-NZ 2.73Å; C16-K18 VanDerWaalsContact SG-CG 3.55Å; K18-C20 PolarHBondContact O-N 2.91Å; K18-L21 WeakPolarHBondContact O-CB 3.45Å; K18-L21 PolarHBondContact O-N 3.19Å; K18-L21 VanDerWaalsContact O-N 3.17Å; K18-L22 WeakPolarHBondContact O-CG 3.36Å; K18-L22 PolarHBondContact O-N 3.4Å; K18-T60 WeakPolarHBondContact CE-O 3.24Å; K18-C83 HydrophobicContact CG-CB 4.11Å |
| 19 | T | 97.9 | Very high | 97.3 | Very high | 25 Ų | 25 | 30.2 Ų | 30.2 | 15% | 0.153 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.5 | -47.1 | -179.1 | -50.1 | 0 | 0 | 0 | 0 | 111.8 | G17 L21 L22 I23 T37 D59 | G17-T19 PolarHBondContact O-N 2.91Å; T19-L21 VanDerWaalsContact C-N 3.29Å; T19-L21 PolarHBondContact O-N 2.76Å; T19-L22 PolarHBondContact O-N 3.03Å; T19-I23 HydrophobicContact CG2-CD1 3.74Å; T19-I23 HydrophobicContact CG2-CG1 4.38Å; T19-I23 WeakPolarHBondContact O-CB 3.38Å; T19-I23 VanDerWaalsContact O-CG1 3.28Å; T19-I23 WeakPolarHBondContact O-CG1 3.29Å; T19-I23 PolarHBondContact O-N 3.1Å; T19-T37 PolarHBondContact OG1-OG1 3.49Å; T19-D59 VanDerWaalsContact CA-OD2 3.26Å; T19-D59 WeakPolarHBondContact CA-OD2 3.48Å; T19-D59 WeakPolarHBondContact CB-OD2 3.46Å; T19-D59 VanDerWaalsContact CG2-OD2 3.32Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.39Å; T19-D59 PolarHBondContact OG1-OD2 2.9Å |
| 20 | C | 97.8 | Very high | 97 | Very high | 20 Ų | 20 | 33.6 Ų | 33.6 | 14% | 0.135 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.3 | -41.8 | 176.2 | -56.3 | 0 | 0 | 0 | 0 | 111.7 | G17 K18 I23 V24 F30 P31 A161 | G17-C20 PolarHBondContact O-N 3.11Å; K18-C20 PolarHBondContact O-N 2.91Å; C20-I23 PolarHBondContact O-N 3.01Å; C20-V24 WeakPolarHBondContact O-CB 3.48Å; C20-V24 WeakPolarHBondContact O-CG2 3.32Å; C20-V24 PolarHBondContact O-N 2.98Å; C20-F30 HydrophobicContact CB-CD2 4.22Å; C20-F30 HydrophobicContact CB-CE2 3.7Å; C20-F30 HydrophobicContact CB-CZ 4.32Å; C20-P31 HydrophobicContact CB-CG 4.27Å; C20-A161 HydrophobicContact CB-CB 4.04Å |
| 21 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -45 | 178.6 | -178 | 61.1 | 0 | 0 | 0 | 111.8 | I10 G17 K18 T19 F25 V115 A161 V167 F171 | I10-L21 HydrophobicContact CD1-CD2 4.12Å; G17-L21 WeakPolarHBondContact O-CB 3.41Å; G17-L21 PolarHBondContact O-N 3.32Å; K18-L21 WeakPolarHBondContact O-CB 3.45Å; K18-L21 PolarHBondContact O-N 3.19Å; K18-L21 VanDerWaalsContact O-N 3.17Å; T19-L21 VanDerWaalsContact C-N 3.29Å; T19-L21 PolarHBondContact O-N 2.76Å; L21-F25 WeakPolarHBondContact O-CB 3.08Å; L21-F25 PolarHBondContact O-N 3.2Å; L21-F25 VanDerWaalsContact O-N 3.1Å; L21-V115 HydrophobicContact CD2-CG1 4.18Å; L21-A161 HydrophobicContact CB-CB 4.34Å; L21-A161 HydrophobicContact CD1-CB 4.44Å; L21-V167 HydrophobicContact CD1-CB 4.32Å; L21-V167 HydrophobicContact CD1-CG1 3.93Å; L21-V167 HydrophobicContact CD1-CG2 3.83Å; L21-F171 HydrophobicContact CD1-CE2 4.14Å; L21-F171 HydrophobicContact CG-CE2 4.03Å; L21-F171 HydrophobicContact CG-CZ 4.17Å |
| 22 | L | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.9 | -43.3 | 176.7 | -65.9 | -178 | 0 | 0 | 0 | 112.5 | L8 I10 K18 T19 F25 S26 Y42 L57 D59 F171 | L8-L22 HydrophobicContact CD2-CD2 4.32Å; I10-L22 HydrophobicContact CG2-CD1 3.63Å; I10-L22 HydrophobicContact CG2-CD2 4.28Å; I10-L22 HydrophobicContact CG2-CG 4.08Å; K18-L22 WeakPolarHBondContact O-CG 3.36Å; K18-L22 PolarHBondContact O-N 3.4Å; T19-L22 PolarHBondContact O-N 3.03Å; L22-F25 PolarHBondContact O-N 2.7Å; L22-S26 WeakPolarHBondContact O-CB 3.28Å; L22-S26 PolarHBondContact O-N 2.88Å; L22-S26 PolarHBondContact O-OG 2.92Å; L22-Y42 HydrophobicContact CB-CD2 4.25Å; L22-Y42 HydrophobicContact CB-CE2 4.32Å; L22-Y42 HydrophobicContact CD1-CD2 4.13Å; L22-Y42 HydrophobicContact CD1-CE2 4.19Å; L22-L57 HydrophobicContact CD2-CB 4.14Å; L22-L57 HydrophobicContact CD2-CD1 4.27Å; L22-L57 HydrophobicContact CD2-CD2 4.35Å; L22-L57 HydrophobicContact CD2-CG 4.49Å; L22-D59 HydrophobicContact CD1-CB 3.46Å; L22-D59 VanDerWaalsContact CD1-CB 3.46Å; L22-F171 HydrophobicContact CD2-CE1 3.88Å; L22-F171 HydrophobicContact CD2-CZ 3.86Å |
| 23 | I | 96.5 | Very high | 95.5 | Very high | 22 Ų | 22 | 48 Ų | 48 | 11% | 0.113 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 179.9 | -68 | 174.4 | 0 | 0 | 0 | 110.4 | T19 C20 F25 S26 K27 Q29 P31 Y42 | T19-I23 HydrophobicContact CG2-CD1 3.74Å; T19-I23 HydrophobicContact CG2-CG1 4.38Å; T19-I23 WeakPolarHBondContact O-CB 3.38Å; T19-I23 VanDerWaalsContact O-CG1 3.28Å; T19-I23 WeakPolarHBondContact O-CG1 3.29Å; T19-I23 PolarHBondContact O-N 3.1Å; C20-I23 PolarHBondContact O-N 3.01Å; I23-F25 VanDerWaalsContact C-N 3.3Å; I23-F25 PolarHBondContact O-N 2.87Å; I23-S26 PolarHBondContact O-N 3.12Å; I23-S26 PolarHBondContact O-OG 2.85Å; I23-K27 HydrophobicContact CG2-CB 4.41Å; I23-K27 HydrophobicContact CG2-CD 4.29Å; I23-K27 WeakPolarHBondContact O-CA 3.27Å; I23-K27 WeakPolarHBondContact O-CB 3.32Å; I23-K27 PolarHBondContact O-N 2.89Å; I23-Q29 WeakPolarHBondContact CG2-O 3.2Å; I23-P31 HydrophobicContact CD1-CG 4.28Å; I23-Y42 HydrophobicContact CG1-CE1 4.3Å |
| 24 | V | 97.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.03 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.5 | -41.9 | 178 | 169.4 | 0 | 0 | 0 | 0 | 110.7 | C20 D28 Q29 F30 A161 K164 V167 | C20-V24 WeakPolarHBondContact O-CB 3.48Å; C20-V24 WeakPolarHBondContact O-CG2 3.32Å; C20-V24 PolarHBondContact O-N 2.98Å; V24-D28 WeakPolarHBondContact O-CA 3.22Å; V24-D28 PolarHBondContact O-N 2.97Å; V24-Q29 WeakPolarHBondContact CG2-O 3.04Å; V24-F30 HydrophobicContact CG2-CB 4.04Å; V24-F30 HydrophobicContact CG2-CD2 3.87Å; V24-F30 HydrophobicContact CG2-CG 4.44Å; V24-A161 HydrophobicContact CG2-CB 4.22Å; V24-A161 WeakPolarHBondContact CG2-O 3.45Å; V24-K164 HydrophobicContact CG1-CB 4.46Å; V24-K164 HydrophobicContact CG1-CG 3.88Å; V24-V167 HydrophobicContact CG1-CG1 4.29Å; V24-V167 HydrophobicContact CG1-CG2 4.3Å |
| 25 | F | 98.1 | Very high | 94.3 | Very high | 39 Ų | 39 | 56.2 Ų | 56.2 | 17% | 0.171 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 175.9 | 172.3 | -112.7 | 0 | 0 | 0 | 113 | L21 L22 I23 A44 I46 L55 L57 V167 F171 | L21-F25 WeakPolarHBondContact O-CB 3.08Å; L21-F25 PolarHBondContact O-N 3.2Å; L21-F25 VanDerWaalsContact O-N 3.1Å; L22-F25 PolarHBondContact O-N 2.7Å; I23-F25 VanDerWaalsContact C-N 3.3Å; I23-F25 PolarHBondContact O-N 2.87Å; F25-A44 HydrophobicContact CD1-CB 4.03Å; F25-A44 HydrophobicContact CE1-CB 3.49Å; F25-A44 VanDerWaalsContact CE1-CB 3.49Å; F25-A44 HydrophobicContact CZ-CB 4.2Å; F25-I46 HydrophobicContact CE2-CD1 4Å; F25-I46 HydrophobicContact CZ-CB 4.17Å; F25-I46 HydrophobicContact CZ-CD1 3.96Å; F25-I46 HydrophobicContact CZ-CG1 4.43Å; F25-L55 HydrophobicContact CE1-CD1 3.86Å; F25-L55 HydrophobicContact CZ-CD1 4.01Å; F25-L57 HydrophobicContact CD1-CD1 3.86Å; F25-L57 HydrophobicContact CE1-CD1 4.14Å; F25-V167 HydrophobicContact CB-CG1 3.93Å; F25-F171 HydrophobicContact CB-CD2 3.6Å; F25-F171 HydrophobicContact CB-CE1 4.37Å; F25-F171 HydrophobicContact CB-CE2 3.29Å; F25-F171 HydrophobicContact CB-CG 4.3Å; F25-F171 HydrophobicContact CB-CZ 3.71Å; F25-F171 HydrophobicContact CD1-CB 4.36Å; F25-F171 AromaticContact CD1-CD1 3.48Å; F25-F171 HydrophobicContact CD1-CD1 3.48Å; F25-F171 VanDerWaalsContact CD1-CD1 3.48Å; F25-F171 AromaticContact CD1-CD2 3.81Å; F25-F171 HydrophobicContact CD1-CD2 3.81Å; F25-F171 AromaticContact CD1-CE1 3.6Å; F25-F171 HydrophobicContact CD1-CE1 3.6Å; F25-F171 AromaticContact CD1-CE2 3.95Å; F25-F171 HydrophobicContact CD1-CE2 3.95Å; F25-F171 AromaticContact CD1-CG 3.6Å; F25-F171 HydrophobicContact CD1-CG 3.6Å; F25-F171 AromaticContact CD1-CZ 3.84Å; F25-F171 HydrophobicContact CD1-CZ 3.84Å; F25-F171 HydrophobicContact CD2-CB 3.82Å; F25-F171 HydrophobicContact CD2-CD1 4.34Å; F25-F171 AromaticContact CD2-CD2 3.39Å; F25-F171 HydrophobicContact CD2-CD2 3.39Å; F25-F171 HydrophobicContact CD2-CE2 4.05Å; F25-F171 AromaticContact CD2-CG 3.58Å; F25-F171 HydrophobicContact CD2-CG 3.58Å; F25-F171 HydrophobicContact CE1-CB 4.03Å; F25-F171 AromaticContact CE1-CD1 3.55Å; F25-F171 HydrophobicContact CE1-CD1 3.55Å; F25-F171 HydrophobicContact CE1-CD2 4.33Å; F25-F171 HydrophobicContact CE1-CE1 4.08Å; F25-F171 AromaticContact CE1-CG 3.7Å; F25-F171 HydrophobicContact CE1-CG 3.7Å; F25-F171 HydrophobicContact CE2-CB 3.47Å; F25-F171 VanDerWaalsContact CE2-CB 3.47Å; F25-F171 HydrophobicContact CE2-CD1 4.41Å; F25-F171 AromaticContact CE2-CD2 3.99Å; F25-F171 HydrophobicContact CE2-CD2 3.99Å; F25-F171 AromaticContact CE2-CG 3.7Å; F25-F171 HydrophobicContact CE2-CG 3.7Å; F25-F171 HydrophobicContact CG-CB 4.26Å; F25-F171 AromaticContact CG-CD1 3.9Å; F25-F171 HydrophobicContact CG-CD1 3.9Å; F25-F171 AromaticContact CG-CD2 3.29Å; F25-F171 HydrophobicContact CG-CD2 3.29Å; F25-F171 HydrophobicContact CG-CE1 4.04Å; F25-F171 AromaticContact CG-CE2 3.49Å; F25-F171 HydrophobicContact CG-CE2 3.49Å; F25-F171 VanDerWaalsContact CG-CE2 3.49Å; F25-F171 AromaticContact CG-CG 3.53Å; F25-F171 HydrophobicContact CG-CG 3.53Å; F25-F171 AromaticContact CG-CZ 3.85Å; F25-F171 HydrophobicContact CG-CZ 3.85Å; F25-F171 HydrophobicContact CZ-CB 3.59Å; F25-F171 HydrophobicContact CZ-CD1 4.04Å; F25-F171 HydrophobicContact CZ-CD2 4.42Å; F25-F171 AromaticContact CZ-CG 3.76Å; F25-F171 HydrophobicContact CZ-CG 3.76Å |
| 26 | S | 95.8 | Very high | 94.1 | Very high | 34 Ų | 34 | 56.8 Ų | 56.8 | 24% | 0.238 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -83 | -26 | -173.2 | 57.3 | 0 | 0 | 0 | 0 | 114.7 | L22 I23 | L22-S26 WeakPolarHBondContact O-CB 3.28Å; L22-S26 PolarHBondContact O-N 2.88Å; L22-S26 PolarHBondContact O-OG 2.92Å; I23-S26 PolarHBondContact O-N 3.12Å; I23-S26 PolarHBondContact O-OG 2.85Å |
| 27 | K | 94.4 | Very high | 93.8 | Very high | 127 Ų | 127 | 57.5 Ų | 57.5 | 55% | 0.552 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -127.8 | -1.6 | -172.2 | -57.6 | -175.1 | -174.5 | 172.4 | 0 | 114 | I23 Q29 | I23-K27 HydrophobicContact CG2-CB 4.41Å; I23-K27 HydrophobicContact CG2-CD 4.29Å; I23-K27 WeakPolarHBondContact O-CA 3.27Å; I23-K27 WeakPolarHBondContact O-CB 3.32Å; I23-K27 PolarHBondContact O-N 2.89Å; K27-Q29 PolarHBondContact O-N 3.15Å; K27-Q29 VanDerWaalsContact O-N 3.08Å |
| 28 | D | 94.3 | Very high | 93.4 | Very high | 109 Ų | 109 | 60.4 Ų | 60.4 | 58% | 0.583 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 55.7 | 24.4 | -178.1 | -161.6 | 43.2 | 0 | 0 | 0 | 114.5 | V24 K164 | V24-D28 WeakPolarHBondContact O-CA 3.22Å; V24-D28 PolarHBondContact O-N 2.97Å; D28-K164 WeakPolarHBondContact O-CE 3.32Å; D28-K164 PolarHBondContact O-NZ 3.41Å; D28-K164 WeakPolarHBondContact OD1-CE 3.24Å; D28-K164 IonicContact OD1-NZ 2.75Å; D28-K164 PolarHBondContact OD1-NZ 2.73Å; D28-K164 IonicContact OD2-NZ 3.99Å; D28-K164 PolarHBondContact OD2-NZ 2.85Å |
| 29 | Q | 93.8 | Very high | 92.9 | Very high | 123 Ų | 123 | 63.7 Ų | 63.7 | 58% | 0.575 | 33% | 0.334 | S | S | * | . | trans | -128.3 | 133.7 | -178.2 | -173 | 177.5 | 30.8 | 0 | 0 | 110.8 | I23 V24 K27 | I23-Q29 WeakPolarHBondContact CG2-O 3.2Å; V24-Q29 WeakPolarHBondContact CG2-O 3.04Å; K27-Q29 PolarHBondContact O-N 3.15Å; K27-Q29 VanDerWaalsContact O-N 3.08Å | ||
| 30 | F | 93.8 | Very high | 92.7 | Very high | 72 Ų | 72 | 66.8 Ų | 66.8 | 32% | 0.316 | 35% | 0.346 | S | S | . | . | trans | -87 | 128.5 | 169.3 | -171.1 | -92.9 | 0 | 0 | 0 | 109.5 | C20 V24 A161 K162 | C20-F30 HydrophobicContact CB-CD2 4.22Å; C20-F30 HydrophobicContact CB-CE2 3.7Å; C20-F30 HydrophobicContact CB-CZ 4.32Å; V24-F30 HydrophobicContact CG2-CB 4.04Å; V24-F30 HydrophobicContact CG2-CD2 3.87Å; V24-F30 HydrophobicContact CG2-CG 4.44Å; F30-A161 HydrophobicContact CD2-CB 4.2Å; F30-A161 HydrophobicContact CE2-CB 4.02Å; F30-K162 VanDerWaalsContact CD2-CA 3.48Å; F30-K162 HydrophobicContact CD2-CB 4.19Å; F30-K162 HydrophobicContact CE2-CB 3.88Å; F30-K162 HydrophobicContact CZ-CB 4.2Å; F30-K162 HydrophobicContact CZ-CG 4.46Å | ||
| 31 | P | 91.6 | Very high | 92.6 | Very high | 34 Ų | 34 | 69.8 Ų | 69.8 | 22% | 0.221 | 36% | 0.361 | C | S | . | . | trans | -74 | 133.1 | 179.6 | 29.6 | -33.9 | 0 | 0 | 0 | 111.5 | C20 I23 | C20-P31 HydrophobicContact CB-CG 4.27Å; I23-P31 HydrophobicContact CD1-CG 4.28Å | ||
| 32 | D | 86 | Confident | 92.4 | Very high | 156 Ų | 156 | 71 Ų | 71 | 83% | 0.834 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -78.1 | -20.7 | 179.6 | -63.6 | -53 | 0 | 0 | 0 | 113.5 | ||
| 33 | V | 87.5 | Confident | 92.3 | Very high | 113 Ų | 113 | 74.9 Ų | 74.9 | 69% | 0.685 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -115.5 | 127.6 | -176.4 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | V35 | V33-V35 HydrophobicContact CG1-CG2 4.29Š|
| 34 | Y | 82.2 | Confident | 92.2 | Very high | 128 Ų | 128 | 74.3 Ų | 74.3 | 50% | 0.502 | 39% | 0.388 | S | S | . | . | trans | -87.3 | 125.1 | 172.5 | 176.3 | -111.8 | 0 | 0 | 0 | 111 | A15 P36 | A15-Y34 PolarHBondContact N-OH 3.38Å; Y34-P36 HydrophobicContact CE1-CG 3.86Å | ||
| 35 | V | 86.3 | Confident | 92.1 | Very high | 100 Ų | 100 | 79.8 Ų | 79.8 | 61% | 0.606 | 42% | 0.417 | S | S | * | . | trans | -126.3 | 125.6 | 169.5 | -179.1 | 0 | 0 | 0 | 0 | 107.5 | V33 T37 | V33-V35 HydrophobicContact CG1-CG2 4.29Å; V35-T37 PolarHBondContact O-N 2.97Å | ||
| 36 | P | 90.5 | Very high | 92.1 | Very high | 63 Ų | 63 | 78.5 Ų | 78.5 | 41% | 0.409 | 41% | 0.412 | S | S | . | . | trans | -61.7 | 122.4 | 175.9 | -21.6 | 31.6 | 0 | 0 | 0 | 111.7 | Y34 Q63 | Y34-P36 HydrophobicContact CE1-CG 3.86Å; P36-Q63 VanDerWaalsContact CB-NE2 3.28Å | ||
| 37 | T | 91.2 | Very high | 92 | Very high | 15 Ų | 15 | 81.8 Ų | 81.8 | 9% | 0.092 | 42% | 0.424 | C | S | . | . | trans | -75.1 | 138 | -177.7 | -51.8 | 0 | 0 | 0 | 0 | 111.5 | T19 V35 E40 D59 A61 | T19-T37 PolarHBondContact OG1-OG1 3.49Å; V35-T37 PolarHBondContact O-N 2.97Å; T37-E40 HydrophobicContact CG2-CB 4.42Å; T37-E40 HydrophobicContact CG2-CG 4.17Å; T37-D59 HydrophobicContact CG2-CB 4.31Å; T37-A61 WeakPolarHBondContact O-CA 3.37Å; T37-A61 WeakPolarHBondContact O-CB 3.36Å | ||
| 38 | V | 89.8 | Confident | 92.1 | Very high | 74 Ų | 74 | 75.9 Ų | 75.9 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -86.9 | -64.5 | 164.5 | 176.4 | 0 | 0 | 0 | 0 | 108.7 | A61 Y66 | V38-A61 WeakPolarHBondContact O-CB 3.43Å; V38-A61 PolarHBondContact O-N 2.85Å; V38-A61 VanDerWaalsContact O-N 3.08Å; V38-Y66 HydrophobicContact CB-CE1 4.09Å; V38-Y66 HydrophobicContact CG1-CD1 3.84Å; V38-Y66 HydrophobicContact CG1-CE1 3.49Å; V38-Y66 VanDerWaalsContact CG1-CE1 3.49Å; V38-Y66 HydrophobicContact CG2-CE1 3.77Å; V38-Y66 WeakPolarHBondContact CG2-OH 3.45Å |
| 39 | F | 88.6 | Confident | 92 | Very high | 79 Ų | 79 | 75.9 Ų | 75.9 | 35% | 0.346 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 133.3 | 175.7 | 173.3 | -102.8 | 0 | 0 | 0 | 109.1 | N41 W58 D59 S73 | F39-N41 WeakPolarHBondContact CE1-ND2 3.23Å; F39-N41 WeakPolarHBondContact CZ-ND2 3.21Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.39Å; F39-W58 HydrophobicContact CE1-CE3 4.4Å; F39-W58 HydrophobicContact CE1-CZ3 4.27Å; F39-W58 HydrophobicContact CE2-CB 4.21Å; F39-W58 HydrophobicContact CE2-CD2 4Å; F39-W58 AromaticContact CE2-CE3 3.28Å; F39-W58 HydrophobicContact CE2-CE3 3.28Å; F39-W58 HydrophobicContact CE2-CG 4.44Å; F39-W58 AromaticContact CE2-CZ3 3.86Å; F39-W58 HydrophobicContact CE2-CZ3 3.86Å; F39-W58 AromaticContact CZ-CD2 3.82Å; F39-W58 HydrophobicContact CZ-CD2 3.82Å; F39-W58 AromaticContact CZ-CE3 3.15Å; F39-W58 HydrophobicContact CZ-CE3 3.15Å; F39-W58 HydrophobicContact CZ-CH2 4.16Å; F39-W58 AromaticContact CZ-CZ3 3.33Å; F39-W58 HydrophobicContact CZ-CZ3 3.33Å; F39-D59 WeakPolarHBondContact CA-O 3.41Å; F39-D59 WeakPolarHBondContact CD2-O 3.44Å; F39-S73 VanDerWaalsContact CD2-OG 3.31Å; F39-S73 WeakPolarHBondContact CD2-OG 3.34Å; F39-S73 WeakPolarHBondContact CE2-OG 3.32Å |
| 40 | E | 94 | Very high | 92 | Very high | 89 Ų | 89 | 73 Ų | 73 | 42% | 0.416 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 153 | 174.4 | -71.7 | -168.3 | -156.2 | 0 | 0 | 111 | T37 Y42 D59 | T37-E40 HydrophobicContact CG2-CB 4.42Å; T37-E40 HydrophobicContact CG2-CG 4.17Å; E40-Y42 HydrophobicContact CB-CE2 4.02Å; E40-Y42 VanDerWaalsContact OE2-CZ 3.27Å; E40-Y42 PolarHBondContact OE2-OH 2.87Å; E40-D59 HydrophobicContact CB-CB 4.21Å; E40-D59 PolarHBondContact N-O 3.4Å; E40-D59 WeakPolarHBondContact O-CB 3.35Å; E40-D59 PolarHBondContact O-N 2.82Å |
| 41 | N | 94.5 | Very high | 92 | Very high | 83 Ų | 83 | 74.4 Ų | 74.4 | 44% | 0.444 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 133.9 | 176.5 | -76.3 | -42.4 | 0 | 0 | 0 | 110.6 | F39 L57 W58 | F39-N41 WeakPolarHBondContact CE1-ND2 3.23Å; F39-N41 WeakPolarHBondContact CZ-ND2 3.21Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.39Å; N41-L57 WeakPolarHBondContact CA-O 3.3Å; N41-W58 VanDerWaalsContact OD1-CD2 3.23Å |
| 42 | Y | 95 | Very high | 92.2 | Very high | 26 Ų | 26 | 77.9 Ų | 77.9 | 10% | 0.102 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 162.2 | 171.1 | -48.5 | -85.7 | 0 | 0 | 0 | 110.2 | L22 I23 E40 L57 D59 | L22-Y42 HydrophobicContact CB-CD2 4.25Å; L22-Y42 HydrophobicContact CB-CE2 4.32Å; L22-Y42 HydrophobicContact CD1-CD2 4.13Å; L22-Y42 HydrophobicContact CD1-CE2 4.19Å; I23-Y42 HydrophobicContact CG1-CE1 4.3Å; E40-Y42 HydrophobicContact CB-CE2 4.02Å; E40-Y42 VanDerWaalsContact OE2-CZ 3.27Å; E40-Y42 PolarHBondContact OE2-OH 2.87Å; Y42-L57 PolarHBondContact N-O 3.1Å; Y42-L57 PolarHBondContact O-N 3.22Å; Y42-D59 HydrophobicContact CE2-CB 4.18Å |
| 43 | V | 95.5 | Very high | 92.7 | Very high | 81 Ų | 81 | 70.5 Ų | 70.5 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.9 | 169.5 | 180 | 0 | 0 | 0 | 0 | 107.6 | E54 L55 | V43-E54 HydrophobicContact CG1-CG 3.43Å; V43-E54 VanDerWaalsContact CG1-CG 3.43Å; V43-L55 WeakPolarHBondContact CA-O 3.13Å |
| 44 | A | 96.3 | Very high | 93.2 | Very high | 10 Ų | 10 | 67.7 Ų | 67.7 | 8% | 0.083 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 137.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | F25 L55 L57 | F25-A44 HydrophobicContact CD1-CB 4.03Å; F25-A44 HydrophobicContact CE1-CB 3.49Å; F25-A44 VanDerWaalsContact CE1-CB 3.49Å; F25-A44 HydrophobicContact CZ-CB 4.2Å; A44-L55 PolarHBondContact N-O 2.86Å; A44-L55 PolarHBondContact O-N 3.48Å; A44-L57 HydrophobicContact CB-CD1 3.96Å |
| 45 | D | 95.9 | Very high | 93.9 | Very high | 120 Ų | 120 | 61.6 Ų | 61.6 | 64% | 0.642 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 136.8 | 173 | -66 | -48.6 | 0 | 0 | 0 | 110 | ||
| 46 | I | 96.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 57.2 Ų | 57.2 | 6% | 0.062 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 138.9 | 176.2 | -167.2 | 177.5 | 0 | 0 | 0 | 110.5 | F25 V48 V53 L55 F171 E172 T175 | F25-I46 HydrophobicContact CE2-CD1 4Å; F25-I46 HydrophobicContact CZ-CB 4.17Å; F25-I46 HydrophobicContact CZ-CD1 3.96Å; F25-I46 HydrophobicContact CZ-CG1 4.43Å; I46-V48 HydrophobicContact CD1-CG2 3.94Å; I46-V48 HydrophobicContact CG1-CG2 3.99Å; I46-V48 HydrophobicContact CG2-CG2 4.37Å; I46-V53 HydrophobicContact CG2-CB 4.17Å; I46-V53 PolarHBondContact N-O 2.87Å; I46-V53 PolarHBondContact O-N 3.23Å; I46-L55 HydrophobicContact CG2-CD1 3.76Å; I46-L55 HydrophobicContact CG2-CG 3.99Å; I46-F171 HydrophobicContact CD1-CB 4.11Å; I46-E172 HydrophobicContact CD1-CG 3.76Å; I46-T175 HydrophobicContact CG2-CG2 4.06Å |
| 47 | E | 95.2 | Very high | 94.9 | Very high | 104 Ų | 104 | 54.2 Ų | 54.2 | 49% | 0.486 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 122 | 170.4 | -169 | -180 | 158.2 | 0 | 0 | 110.1 | K51 Q52 | E47-K51 WeakPolarHBondContact CA-O 3.5Å; E47-Q52 PolarHBondContact OE2-NE2 3.33Å |
| 48 | V | 95.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 124.4 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 109.7 | I46 G50 K51 E172 T175 R176 | I46-V48 HydrophobicContact CD1-CG2 3.94Å; I46-V48 HydrophobicContact CG1-CG2 3.99Å; I46-V48 HydrophobicContact CG2-CG2 4.37Å; V48-G50 PolarHBondContact O-N 3.18Å; V48-K51 PolarHBondContact N-O 2.92Å; V48-K51 WeakPolarHBondContact O-CB 3.47Å; V48-K51 PolarHBondContact O-N 3.32Å; V48-E172 HydrophobicContact CG2-CB 4.31Å; V48-E172 HydrophobicContact CG2-CG 4.17Å; V48-T175 HydrophobicContact CB-CG2 4Å; V48-T175 HydrophobicContact CG2-CG2 3.69Å; V48-R176 HydrophobicContact CG1-CB 4.18Å |
| 49 | D | 93.5 | Very high | 95.6 | Very high | 109 Ų | 109 | 52.9 Ų | 52.9 | 58% | 0.583 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 42.1 | 178.9 | -49.9 | -25.2 | 0 | 0 | 0 | 112.2 | K51 R176 | D49-K51 VanDerWaalsContact C-N 3.29Å; D49-K51 PolarHBondContact O-N 3.31Å; D49-R176 IonicContact OD1-CZ 3.88Å; D49-R176 IonicContact OD1-NE 2.7Å; D49-R176 PolarHBondContact OD1-NE 3.39Å; D49-R176 IonicContact OD1-NH2 2.7Å; D49-R176 PolarHBondContact OD1-NH2 3.09Å; D49-R176 IonicContact OD2-CZ 3.42Å; D49-R176 IonicContact OD2-NE 2.87Å; D49-R176 PolarHBondContact OD2-NE 2.76Å; D49-R176 IonicContact OD2-NH2 2.99Å |
| 50 | G | 92.5 | Very high | 96.1 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 63% | 0.629 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 8.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V48 | V48-G50 PolarHBondContact O-N 3.18Š|
| 51 | K | 93.9 | Very high | 96.2 | Very high | 102 Ų | 102 | 45 Ų | 45 | 44% | 0.443 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 123.8 | 178.7 | -63.1 | 174.5 | -175.8 | 169.4 | 0 | 110.2 | I4 E47 V48 D49 V53 L179 | I4-K51 HydrophobicContact CD1-CB 4.18Å; I4-K51 HydrophobicContact CD1-CD 4.22Å; I4-K51 HydrophobicContact CD1-CG 4.39Å; E47-K51 WeakPolarHBondContact CA-O 3.5Å; V48-K51 PolarHBondContact N-O 2.92Å; V48-K51 WeakPolarHBondContact O-CB 3.47Å; V48-K51 PolarHBondContact O-N 3.32Å; D49-K51 VanDerWaalsContact C-N 3.29Å; D49-K51 PolarHBondContact O-N 3.31Å; K51-V53 HydrophobicContact CB-CG2 4.47Å; K51-L179 HydrophobicContact CD-CD1 4.21Å; K51-L179 HydrophobicContact CD-CD2 4.49Å |
| 52 | Q | 96 | Very high | 96.2 | Very high | 107 Ų | 107 | 41.5 Ų | 41.5 | 50% | 0.5 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 121 | 169.5 | -63 | -63 | -11.4 | 0 | 0 | 109.8 | E47 | E47-Q52 PolarHBondContact OE2-NE2 3.33Å |
| 53 | V | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.9 | -178.1 | -176.9 | 0 | 0 | 0 | 0 | 109.9 | I4 K6 I46 K51 L55 T175 L179 | I4-V53 HydrophobicContact CB-CG2 4.32Å; I4-V53 HydrophobicContact CG2-CG2 4.33Å; I4-V53 CarbonylContact O-C 3.53Å; I4-V53 VanDerWaalsContact O-CA 3.23Å; I4-V53 WeakPolarHBondContact O-CA 3.45Å; I4-V53 WeakPolarHBondContact O-CG1 3.46Å; K6-V53 HydrophobicContact CB-CG1 3.93Å; K6-V53 HydrophobicContact CG-CG1 3.83Å; I46-V53 HydrophobicContact CG2-CB 4.17Å; I46-V53 PolarHBondContact N-O 2.87Å; I46-V53 PolarHBondContact O-N 3.23Å; K51-V53 HydrophobicContact CB-CG2 4.47Å; V53-L55 HydrophobicContact CG1-CD2 4.27Å; V53-L55 HydrophobicContact CG1-CG 4.46Å; V53-T175 HydrophobicContact CB-CG2 3.98Å; V53-T175 HydrophobicContact CG1-CG2 4.01Å; V53-T175 HydrophobicContact CG2-CG2 3.82Å; V53-L179 HydrophobicContact CG2-CD1 4.05Å; V53-L179 HydrophobicContact CG2-CD2 4Å; V53-L179 HydrophobicContact CG2-CG 4.38Å |
| 54 | E | 97.5 | Very high | 95.9 | Very high | 54 Ų | 54 | 46.3 Ų | 46.3 | 25% | 0.252 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 113.8 | 166 | -174.3 | -168.8 | 91.9 | 0 | 0 | 108.1 | A3 I4 R5 K6 V43 | A3-E54 HydrophobicContact CB-CB 4.49Å; I4-E54 PolarHBondContact O-N 3.05Å; R5-E54 WeakPolarHBondContact CA-O 3.21Å; R5-E54 WeakPolarHBondContact CD-OE1 3.18Å; R5-E54 HydrophobicContact CG-CB 4.45Å; R5-E54 IonicContact CZ-OE1 4Å; R5-E54 IonicContact NE-OE1 2.91Å; R5-E54 PolarHBondContact NE-OE1 2.91Å; R5-E54 IonicContact NH2-OE1 3.73Å; K6-E54 PolarHBondContact N-O 2.91Å; V43-E54 HydrophobicContact CG1-CG 3.43Å; V43-E54 VanDerWaalsContact CG1-CG 3.43Å |
| 55 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 119 | 172.8 | -71 | 174.4 | 0 | 0 | 0 | 110.1 | K6 F25 V43 A44 I46 V53 L57 F171 T175 | K6-L55 HydrophobicContact CB-CD2 3.93Å; K6-L55 CarbonylContact O-C 3.58Å; K6-L55 WeakPolarHBondContact O-CA 3.36Å; F25-L55 HydrophobicContact CE1-CD1 3.86Å; F25-L55 HydrophobicContact CZ-CD1 4.01Å; V43-L55 WeakPolarHBondContact CA-O 3.13Å; A44-L55 PolarHBondContact N-O 2.86Å; A44-L55 PolarHBondContact O-N 3.48Å; I46-L55 HydrophobicContact CG2-CD1 3.76Å; I46-L55 HydrophobicContact CG2-CG 3.99Å; V53-L55 HydrophobicContact CG1-CD2 4.27Å; V53-L55 HydrophobicContact CG1-CG 4.46Å; L55-L57 HydrophobicContact CB-CD2 3.77Å; L55-L57 HydrophobicContact CB-CG 4.29Å; L55-L57 HydrophobicContact CD1-CD2 4.19Å; L55-F171 HydrophobicContact CD1-CD1 4.32Å; L55-T175 WeakPolarHBondContact CD1-OG1 3.47Å |
| 56 | A | 98.1 | Very high | 95.7 | Very high | 9 Ų | 9 | 49.6 Ų | 49.6 | 7% | 0.074 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 109.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | K6 L8 | K6-A56 PolarHBondContact O-N 3.17Å; L8-A56 PolarHBondContact N-O 3.37Å |
| 57 | L | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 118.7 | -175.7 | -53.9 | 175.3 | 0 | 0 | 0 | 109.6 | L8 L22 F25 N41 Y42 A44 L55 F171 | L8-L57 HydrophobicContact CB-CD2 4.1Å; L8-L57 HydrophobicContact CD1-CD2 4.19Å; L8-L57 HydrophobicContact CD2-CD2 4.08Å; L8-L57 HydrophobicContact CG-CD2 4.37Å; L22-L57 HydrophobicContact CD2-CB 4.14Å; L22-L57 HydrophobicContact CD2-CD1 4.27Å; L22-L57 HydrophobicContact CD2-CD2 4.35Å; L22-L57 HydrophobicContact CD2-CG 4.49Å; F25-L57 HydrophobicContact CD1-CD1 3.86Å; F25-L57 HydrophobicContact CE1-CD1 4.14Å; N41-L57 WeakPolarHBondContact CA-O 3.3Å; Y42-L57 PolarHBondContact N-O 3.1Å; Y42-L57 PolarHBondContact O-N 3.22Å; A44-L57 HydrophobicContact CB-CD1 3.96Å; L55-L57 HydrophobicContact CB-CD2 3.77Å; L55-L57 HydrophobicContact CB-CG 4.29Å; L55-L57 HydrophobicContact CD1-CD2 4.19Å; L57-F171 HydrophobicContact CD2-CD1 4.34Å; L57-F171 HydrophobicContact CD2-CE1 4.02Å |
| 58 | W | 98.6 | Very high | 95.6 | Very high | 60 Ų | 60 | 58 Ų | 58 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 105.8 | -177.6 | -72.2 | 59.9 | 0 | 0 | 0 | 109 | K7 L8 V9 I10 F39 N41 | K7-W58 HydrophobicContact CD-CD2 4.42Å; K7-W58 HydrophobicContact CD-CG 4.5Å; K7-W58 VanDerWaalsContact CE-CD2 3.44Å; K7-W58 VanDerWaalsContact CE-CE2 3.45Å; K7-W58 HydrophobicContact CG-CG 4.4Å; L8-W58 PolarHBondContact O-N 2.86Å; V9-W58 HydrophobicContact CB-CB 4.26Å; V9-W58 HydrophobicContact CG1-CB 4.36Å; V9-W58 HydrophobicContact CG2-CB 3.76Å; V9-W58 HydrophobicContact CG2-CG 4.17Å; I10-W58 PolarHBondContact N-O 2.91Å; F39-W58 HydrophobicContact CE1-CE3 4.4Å; F39-W58 HydrophobicContact CE1-CZ3 4.27Å; F39-W58 HydrophobicContact CE2-CB 4.21Å; F39-W58 HydrophobicContact CE2-CD2 4Å; F39-W58 AromaticContact CE2-CE3 3.28Å; F39-W58 HydrophobicContact CE2-CE3 3.28Å; F39-W58 HydrophobicContact CE2-CG 4.44Å; F39-W58 AromaticContact CE2-CZ3 3.86Å; F39-W58 HydrophobicContact CE2-CZ3 3.86Å; F39-W58 AromaticContact CZ-CD2 3.82Å; F39-W58 HydrophobicContact CZ-CD2 3.82Å; F39-W58 AromaticContact CZ-CE3 3.15Å; F39-W58 HydrophobicContact CZ-CE3 3.15Å; F39-W58 HydrophobicContact CZ-CH2 4.16Å; F39-W58 AromaticContact CZ-CZ3 3.33Å; F39-W58 HydrophobicContact CZ-CZ3 3.33Å; N41-W58 VanDerWaalsContact OD1-CD2 3.23Å |
| 59 | D | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 139.4 | 176.4 | -161.5 | 4.8 | 0 | 0 | 0 | 111 | T19 L22 T37 F39 E40 Y42 | T19-D59 VanDerWaalsContact CA-OD2 3.26Å; T19-D59 WeakPolarHBondContact CA-OD2 3.48Å; T19-D59 WeakPolarHBondContact CB-OD2 3.46Å; T19-D59 VanDerWaalsContact CG2-OD2 3.32Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.39Å; T19-D59 PolarHBondContact OG1-OD2 2.9Å; L22-D59 HydrophobicContact CD1-CB 3.46Å; L22-D59 VanDerWaalsContact CD1-CB 3.46Å; T37-D59 HydrophobicContact CG2-CB 4.31Å; F39-D59 WeakPolarHBondContact CA-O 3.41Å; F39-D59 WeakPolarHBondContact CD2-O 3.44Å; E40-D59 HydrophobicContact CB-CB 4.21Å; E40-D59 PolarHBondContact N-O 3.4Å; E40-D59 WeakPolarHBondContact O-CB 3.35Å; E40-D59 PolarHBondContact O-N 2.82Å; Y42-D59 HydrophobicContact CE2-CB 4.18Å |
| 60 | T | 98.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.012 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 150 | -174.1 | 70.7 | 0 | 0 | 0 | 0 | 113 | V9 I10 K18 G62 R70 | V9-T60 HydrophobicContact CG1-CG2 3.82Å; I10-T60 WeakPolarHBondContact O-CG2 3.39Å; I10-T60 PolarHBondContact O-OG1 3.06Å; K18-T60 WeakPolarHBondContact CE-O 3.24Å; T60-G62 PolarHBondContact O-N 2.75Å; T60-R70 HydrophobicContact CG2-CG 4.1Å |
| 61 | A | 96.5 | Very high | 96 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 2% | 0.017 | 26% | 0.259 | C | S | . | . | trans | -61.5 | 133.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | T37 V38 Y66 R70 | T37-A61 WeakPolarHBondContact O-CA 3.37Å; T37-A61 WeakPolarHBondContact O-CB 3.36Å; V38-A61 WeakPolarHBondContact O-CB 3.43Å; V38-A61 PolarHBondContact O-N 2.85Å; V38-A61 VanDerWaalsContact O-N 3.08Å; A61-Y66 HydrophobicContact CB-CD1 4.35Å; A61-Y66 HydrophobicContact CB-CD2 3.5Å; A61-Y66 VanDerWaalsContact CB-CD2 3.5Å; A61-Y66 HydrophobicContact CB-CE2 4.33Å; A61-Y66 HydrophobicContact CB-CG 3.51Å; A61-R70 PolarHBondContact O-NE 2.7Å; A61-R70 PolarHBondContact O-NH2 2.86Å | ||
| 62 | G | 93.9 | Very high | 96.1 | Very high | 9 Ų | 9 | 56.8 Ų | 56.8 | 9% | 0.093 | 27% | 0.269 | C | S | . | . | trans | -89.6 | -5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | G12 G14 T60 | G12-G62 WeakPolarHBondContact O-CA 3.23Å; G14-G62 PolarHBondContact N-O 3.21Å; T60-G62 PolarHBondContact O-N 2.75Å | ||
| 63 | Q | 92.6 | Very high | 96.2 | Very high | 74 Ų | 74 | 52 Ų | 52 | 35% | 0.346 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -85.4 | 149.5 | -179.2 | -60.4 | 175.1 | 57.1 | 0 | 0 | 111 | P36 D65 Y66 R70 | P36-Q63 VanDerWaalsContact CB-NE2 3.28Å; Q63-D65 VanDerWaalsContact C-N 3.3Å; Q63-D65 PolarHBondContact O-N 3.18Å; Q63-Y66 HydrophobicContact CB-CD2 4.09Å; Q63-Y66 HydrophobicContact CB-CE2 4.49Å; Q63-Y66 PolarHBondContact O-N 2.83Å; Q63-R70 PolarHBondContact O-NH2 2.53Å |
| 64 | E | 91.5 | Very high | 96.3 | Very high | 134 Ų | 134 | 52.2 Ų | 52.2 | 63% | 0.626 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -67.5 | -28.6 | -178.3 | -70.4 | 177.9 | 178.6 | 0 | 0 | 113.3 | Y66 D67 K98 | E64-Y66 PolarHBondContact O-N 3.06Å; E64-D67 VanDerWaalsContact O-CB 3.29Å; E64-D67 WeakPolarHBondContact O-CB 3.25Å; E64-D67 PolarHBondContact O-N 2.88Å; E64-K98 IonicContact OE1-NZ 3.25Å; E64-K98 PolarHBondContact OE1-NZ 3.43Å |
| 65 | D | 94.1 | Very high | 96.2 | Very high | 137 Ų | 137 | 53.2 Ų | 53.2 | 73% | 0.733 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -55 | -22.9 | 175.9 | -64.3 | -29.6 | 0 | 0 | 0 | 112.9 | Q63 | Q63-D65 VanDerWaalsContact C-N 3.3Å; Q63-D65 PolarHBondContact O-N 3.18Å |
| 66 | Y | 94.6 | Very high | 96.2 | Very high | 62 Ų | 62 | 59.7 Ų | 59.7 | 24% | 0.243 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -103.9 | 8.1 | -179.7 | -60.4 | -83.3 | 0 | 0 | 0 | 113.9 | V38 A61 Q63 E64 R68 L69 R70 | V38-Y66 HydrophobicContact CB-CE1 4.09Å; V38-Y66 HydrophobicContact CG1-CD1 3.84Å; V38-Y66 HydrophobicContact CG1-CE1 3.49Å; V38-Y66 VanDerWaalsContact CG1-CE1 3.49Å; V38-Y66 HydrophobicContact CG2-CE1 3.77Å; V38-Y66 WeakPolarHBondContact CG2-OH 3.45Å; A61-Y66 HydrophobicContact CB-CD1 4.35Å; A61-Y66 HydrophobicContact CB-CD2 3.5Å; A61-Y66 VanDerWaalsContact CB-CD2 3.5Å; A61-Y66 HydrophobicContact CB-CE2 4.33Å; A61-Y66 HydrophobicContact CB-CG 3.51Å; Q63-Y66 HydrophobicContact CB-CD2 4.09Å; Q63-Y66 HydrophobicContact CB-CE2 4.49Å; Q63-Y66 PolarHBondContact O-N 2.83Å; E64-Y66 PolarHBondContact O-N 3.06Å; Y66-R68 PolarHBondContact O-N 3.25Å; Y66-R68 VanDerWaalsContact O-N 3.1Å; Y66-L69 HydrophobicContact CD1-CD1 4.01Å; Y66-L69 PolarHBondContact O-N 3.4Å; Y66-R70 PolarHBondContact O-N 2.91Å |
| 67 | D | 95.2 | Very high | 96.2 | Very high | 58 Ų | 58 | 59.9 Ų | 59.9 | 31% | 0.31 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.6 | -179.2 | -77.4 | -7.9 | 0 | 0 | 0 | 112.8 | E64 R70 P71 | E64-D67 VanDerWaalsContact O-CB 3.29Å; E64-D67 WeakPolarHBondContact O-CB 3.25Å; E64-D67 PolarHBondContact O-N 2.88Å; D67-R70 IonicContact OD1-CZ 2.87Å; D67-R70 VanDerWaalsContact OD1-CZ 3.25Å; D67-R70 IonicContact OD1-NH1 3.3Å; D67-R70 PolarHBondContact OD1-NH1 2.81Å; D67-R70 IonicContact OD1-NH2 3.72Å; D67-R70 PolarHBondContact OD1-NH2 2.92Å; D67-P71 WeakPolarHBondContact O-CD 3.18Å; D67-P71 WeakPolarHBondContact O-CG 3.29Å |
| 68 | R | 94.7 | Very high | 96.2 | Very high | 233 Ų | 233 | 60.2 Ų | 60.2 | 88% | 0.879 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -22.7 | 176.2 | -65 | -174.5 | 179.2 | -176.7 | 0.7 | 114 | Y66 | Y66-R68 PolarHBondContact O-N 3.25Å; Y66-R68 VanDerWaalsContact O-N 3.1Å |
| 69 | L | 95.2 | Very high | 96.2 | Very high | 97 Ų | 97 | 57.3 Ų | 57.3 | 51% | 0.508 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -36.1 | -177.4 | -67.8 | 178.1 | 0 | 0 | 0 | 112 | Y66 P71 L72 | Y66-L69 HydrophobicContact CD1-CD1 4.01Å; Y66-L69 PolarHBondContact O-N 3.4Å; L69-P71 VanDerWaalsContact C-N 3.28Å; L69-L72 HydrophobicContact CD2-CD1 4.16Å; L69-L72 VanDerWaalsContact O-CB 3.27Å; L69-L72 WeakPolarHBondContact O-CB 3.31Å; L69-L72 WeakPolarHBondContact O-CG 3.49Å; L69-L72 PolarHBondContact O-N 2.91Å |
| 70 | R | 97 | Very high | 96.2 | Very high | 7 Ų | 7 | 57.3 Ų | 57.3 | 3% | 0.026 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -50.7 | -39.9 | 179.6 | -168.4 | -178.4 | -40.7 | 105.9 | 3.9 | 113.5 | T60 A61 Q63 Y66 D67 L72 S73 Y74 E102 | T60-R70 HydrophobicContact CG2-CG 4.1Å; A61-R70 PolarHBondContact O-NE 2.7Å; A61-R70 PolarHBondContact O-NH2 2.86Å; Q63-R70 PolarHBondContact O-NH2 2.53Å; Y66-R70 PolarHBondContact O-N 2.91Å; D67-R70 IonicContact OD1-CZ 2.87Å; D67-R70 VanDerWaalsContact OD1-CZ 3.25Å; D67-R70 IonicContact OD1-NH1 3.3Å; D67-R70 PolarHBondContact OD1-NH1 2.81Å; D67-R70 IonicContact OD1-NH2 3.72Å; D67-R70 PolarHBondContact OD1-NH2 2.92Å; R70-L72 PolarHBondContact O-N 2.69Å; R70-L72 VanDerWaalsContact O-N 3.1Å; R70-S73 VanDerWaalsContact O-CB 3.29Å; R70-S73 WeakPolarHBondContact O-CB 3.48Å; R70-S73 PolarHBondContact O-N 2.85Å; R70-Y74 WeakPolarHBondContact CD-OH 3.4Å; R70-E102 WeakPolarHBondContact CD-OE1 3.44Å; R70-E102 IonicContact CZ-OE2 2.74Å; R70-E102 IonicContact NH1-OE1 3.46Å; R70-E102 PolarHBondContact NH1-OE1 2.93Å; R70-E102 IonicContact NH1-OE2 3.31Å; R70-E102 PolarHBondContact NH1-OE2 2.97Å |
| 71 | P | 97.4 | Very high | 96.2 | Very high | 21 Ų | 21 | 57.2 Ų | 57.2 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -61.5 | -20.8 | 178.9 | -28.1 | 38.2 | 0 | 0 | 0 | 115.7 | D67 L69 S73 Y74 P75 F106 | D67-P71 WeakPolarHBondContact O-CD 3.18Å; D67-P71 WeakPolarHBondContact O-CG 3.29Å; L69-P71 VanDerWaalsContact C-N 3.28Å; P71-S73 PolarHBondContact O-N 2.97Å; P71-Y74 VanDerWaalsContact CA-CD2 3.47Å; P71-Y74 HydrophobicContact CB-CD2 4.09Å; P71-Y74 HydrophobicContact CB-CE2 4.34Å; P71-Y74 HydrophobicContact CG-CE2 4.42Å; P71-Y74 PolarHBondContact O-N 2.78Å; P71-Y74 VanDerWaalsContact O-N 3.12Å; P71-P75 WeakPolarHBondContact O-CD 3.35Å; P71-F106 HydrophobicContact CB-CD1 4.13Å; P71-F106 HydrophobicContact CB-CD2 4.12Å; P71-F106 HydrophobicContact CB-CE1 3.7Å; P71-F106 HydrophobicContact CB-CE2 3.69Å; P71-F106 HydrophobicContact CB-CG 4.34Å; P71-F106 HydrophobicContact CB-CZ 3.47Å; P71-F106 VanDerWaalsContact CB-CZ 3.47Å; P71-F106 HydrophobicContact CG-CD2 4.27Å; P71-F106 HydrophobicContact CG-CE1 4.32Å; P71-F106 HydrophobicContact CG-CE2 3.54Å; P71-F106 HydrophobicContact CG-CZ 3.57Å |
| 72 | L | 96.3 | Very high | 96.4 | Very high | 126 Ų | 126 | 57.1 Ų | 57.1 | 66% | 0.66 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -64.9 | -18.7 | 174.6 | -57.9 | 178.1 | 0 | 0 | 0 | 112.3 | L69 R70 P75 | L69-L72 HydrophobicContact CD2-CD1 4.16Å; L69-L72 VanDerWaalsContact O-CB 3.27Å; L69-L72 WeakPolarHBondContact O-CB 3.31Å; L69-L72 WeakPolarHBondContact O-CG 3.49Å; L69-L72 PolarHBondContact O-N 2.91Å; R70-L72 PolarHBondContact O-N 2.69Å; R70-L72 VanDerWaalsContact O-N 3.1Å; L72-P75 WeakPolarHBondContact O-CD 3.06Å |
| 73 | S | 97.5 | Very high | 96.6 | Very high | 6 Ų | 6 | 56.7 Ų | 56.7 | 4% | 0.042 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -81.1 | -17.6 | 175.7 | -60.5 | 0 | 0 | 0 | 0 | 113.6 | K7 V9 F39 R70 P71 | K7-S73 WeakPolarHBondContact CE-O 3.05Å; K7-S73 PolarHBondContact NZ-O 2.87Å; V9-S73 VanDerWaalsContact CG2-O 3.32Å; V9-S73 WeakPolarHBondContact CG2-O 3.34Å; F39-S73 VanDerWaalsContact CD2-OG 3.31Å; F39-S73 WeakPolarHBondContact CD2-OG 3.34Å; F39-S73 WeakPolarHBondContact CE2-OG 3.32Å; R70-S73 VanDerWaalsContact O-CB 3.29Å; R70-S73 WeakPolarHBondContact O-CB 3.48Å; R70-S73 PolarHBondContact O-N 2.85Å; P71-S73 PolarHBondContact O-N 2.97Å |
| 74 | Y | 98.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | trans | -80 | -27.2 | -172.1 | -64.8 | -33.1 | 0 | 0 | 0 | 118.1 | V9 V11 R70 P71 D76 T77 I80 E102 F106 | V9-Y74 HydrophobicContact CG1-CD1 4.01Å; V9-Y74 HydrophobicContact CG1-CE1 3.85Å; V11-Y74 HydrophobicContact CG1-CE1 3.72Å; V11-Y74 VanDerWaalsContact CG1-OH 3.31Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.44Å; R70-Y74 WeakPolarHBondContact CD-OH 3.4Å; P71-Y74 VanDerWaalsContact CA-CD2 3.47Å; P71-Y74 HydrophobicContact CB-CD2 4.09Å; P71-Y74 HydrophobicContact CB-CE2 4.34Å; P71-Y74 HydrophobicContact CG-CE2 4.42Å; P71-Y74 PolarHBondContact O-N 2.78Å; P71-Y74 VanDerWaalsContact O-N 3.12Å; Y74-D76 PolarHBondContact O-N 3.44Å; Y74-T77 WeakPolarHBondContact O-CB 3.32Å; Y74-T77 PolarHBondContact O-N 2.96Å; Y74-T77 PolarHBondContact O-OG1 2.8Å; Y74-I80 HydrophobicContact CD1-CD1 4.38Å; Y74-I80 HydrophobicContact CE1-CD1 4.43Å; Y74-E102 HydrophobicContact CE2-CG 4.06Å; Y74-E102 WeakPolarHBondContact CE2-OE1 3.31Å; Y74-E102 PolarHBondContact OH-OE1 3.46Å; Y74-F106 HydrophobicContact CD2-CB 3.36Å; Y74-F106 HydrophobicContact CD2-CD1 4.42Å; Y74-F106 AromaticContact CD2-CD2 3.51Å; Y74-F106 HydrophobicContact CD2-CD2 3.51Å; Y74-F106 HydrophobicContact CD2-CE2 4.42Å; Y74-F106 AromaticContact CD2-CG 3.52Å; Y74-F106 HydrophobicContact CD2-CG 3.52Å; Y74-F106 HydrophobicContact CE2-CB 4.21Å; Y74-F106 AromaticContact CE2-CD2 3.65Å; Y74-F106 HydrophobicContact CE2-CD2 3.65Å; Y74-F106 HydrophobicContact CE2-CE2 4.38Å; Y74-F106 HydrophobicContact CE2-CG 4.16Å; Y74-F106 HydrophobicContact CG-CB 3.93Å; Y74-F106 HydrophobicContact CG-CG 4.49Å | ||
| 75 | P | 97.1 | Very high | 97.2 | Very high | 75 Ų | 75 | 46.9 Ų | 46.9 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 136.7 | 178.8 | -29.4 | 36.3 | 0 | 0 | 0 | 112.5 | K7 P71 L72 T77 | K7-P75 WeakPolarHBondContact CE-O 3.3Å; K7-P75 PolarHBondContact NZ-O 2.85Å; P71-P75 WeakPolarHBondContact O-CD 3.35Å; L72-P75 WeakPolarHBondContact O-CD 3.06Å; P75-T77 PolarHBondContact O-N 3.35Å |
| 76 | D | 95.8 | Very high | 97.5 | Very high | 136 Ų | 136 | 40.4 Ų | 40.4 | 73% | 0.727 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 19.8 | 178.4 | -55.1 | -52.4 | 0 | 0 | 0 | 116.1 | Y74 D78 | Y74-D76 PolarHBondContact O-N 3.44Å; D76-D78 PolarHBondContact O-N 3.31Å |
| 77 | T | 98.3 | Very high | 97.7 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 8% | 0.08 | 20% | 0.196 | C | C | . | . | trans | -64.1 | 131.3 | 176 | -56.9 | 0 | 0 | 0 | 0 | 111.4 | V9 Y74 P75 V79 I80 V110 | V9-T77 HydrophobicContact CB-CG2 4.08Å; V9-T77 HydrophobicContact CG2-CG2 3.74Å; V9-T77 VanDerWaalsContact CG2-OG1 3.22Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.5Å; Y74-T77 WeakPolarHBondContact O-CB 3.32Å; Y74-T77 PolarHBondContact O-N 2.96Å; Y74-T77 PolarHBondContact O-OG1 2.8Å; P75-T77 PolarHBondContact O-N 3.35Å; T77-V79 WeakPolarHBondContact CG2-O 3.39Å; T77-I80 HydrophobicContact CG2-CD1 3.82Å; T77-I80 HydrophobicContact CG2-CG1 4.25Å; T77-V110 HydrophobicContact CG2-CG1 4.06Å; T77-V110 WeakPolarHBondContact O-CG2 3.41Å | ||
| 78 | D | 98.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -95 | -26.3 | 177.5 | -66.8 | -85.3 | 0 | 0 | 0 | 112.7 | K6 K7 D76 P111 A178 K183 | K6-D78 WeakPolarHBondContact CA-OD2 3.41Å; K6-D78 HydrophobicContact CB-CB 4.43Å; K6-D78 HydrophobicContact CD-CB 3.73Å; K6-D78 WeakPolarHBondContact CD-OD1 3.16Å; K6-D78 WeakPolarHBondContact CD-OD2 3.25Å; K6-D78 IonicContact NZ-OD1 3.48Å; K6-D78 PolarHBondContact NZ-OD1 3.49Å; K7-D78 PolarHBondContact N-OD2 3.34Å; K7-D78 WeakPolarHBondContact O-CA 3.39Å; K7-D78 WeakPolarHBondContact O-CB 3.37Å; K7-D78 PolarHBondContact O-N 2.89Å; D76-D78 PolarHBondContact O-N 3.31Å; D78-P111 WeakPolarHBondContact O-CD 3.44Å; D78-A178 HydrophobicContact CB-CB 3.98Å; D78-K183 WeakPolarHBondContact OD1-CE 3.19Å; D78-K183 IonicContact OD1-NZ 2.9Å; D78-K183 IonicContact OD2-NZ 3.63Å |
| 79 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 147 | 175.8 | 62.1 | 0 | 0 | 0 | 0 | 111.3 | K7 L8 V9 T77 V110 P111 I113 A174 A177 A178 | K7-V79 PolarHBondContact O-N 3.42Å; L8-V79 WeakPolarHBondContact CA-O 3.37Å; L8-V79 HydrophobicContact CB-CG1 3.84Å; L8-V79 HydrophobicContact CD1-CG1 4.03Å; L8-V79 HydrophobicContact CG-CG1 3.91Å; V9-V79 PolarHBondContact N-O 3.24Å; T77-V79 WeakPolarHBondContact CG2-O 3.39Å; V79-V110 VanDerWaalsContact CA-CG1 3.5Å; V79-P111 HydrophobicContact CB-CG 4.29Å; V79-P111 HydrophobicContact CG2-CG 4.18Å; V79-I113 HydrophobicContact CG2-CG1 4.1Å; V79-A174 HydrophobicContact CG1-CB 4.22Å; V79-A174 HydrophobicContact CG2-CB 4.01Å; V79-A177 HydrophobicContact CG2-CB 4.41Å; V79-A178 HydrophobicContact CB-CB 3.93Å; V79-A178 HydrophobicContact CG1-CB 3.87Å |
| 80 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.2 | 174.2 | -63.3 | -76.3 | 0 | 0 | 0 | 109.3 | V9 V11 Y74 T77 M82 V103 V110 P111 I112 I113 | V9-I80 HydrophobicContact CB-CD1 4.01Å; V9-I80 WeakPolarHBondContact O-CA 3.36Å; V11-I80 HydrophobicContact CG2-CG2 4.05Å; Y74-I80 HydrophobicContact CD1-CD1 4.38Å; Y74-I80 HydrophobicContact CE1-CD1 4.43Å; T77-I80 HydrophobicContact CG2-CD1 3.82Å; T77-I80 HydrophobicContact CG2-CG1 4.25Å; I80-M82 HydrophobicContact CG2-CB 4.29Å; I80-V103 HydrophobicContact CB-CG1 4.35Å; I80-V103 HydrophobicContact CD1-CG1 4.17Å; I80-V103 HydrophobicContact CD1-CG2 4.47Å; I80-V103 HydrophobicContact CG1-CG1 3.76Å; I80-V103 HydrophobicContact CG2-CG1 4.16Å; I80-V103 HydrophobicContact CG2-CG2 4.2Å; I80-V110 HydrophobicContact CG1-CB 4.45Å; I80-V110 HydrophobicContact CG1-CG1 3.85Å; I80-P111 PolarHBondContact N-O 2.96Å; I80-I112 HydrophobicContact CB-CG1 4.13Å; I80-I112 HydrophobicContact CG2-CG1 4.38Å; I80-I112 HydrophobicContact CG2-CG2 4.41Å; I80-I113 PolarHBondContact O-N 3.44Å |
| 81 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 119 | 157.1 | -68.8 | -170.9 | 0 | 0 | 0 | 108.3 | L8 V9 I10 V11 I113 V115 V170 F171 A174 | L8-L81 HydrophobicContact CD1-CD1 3.97Å; L8-L81 HydrophobicContact CD1-CG 3.89Å; L8-L81 HydrophobicContact CD2-CB 4.42Å; L8-L81 HydrophobicContact CD2-CD1 3.94Å; L8-L81 HydrophobicContact CD2-CG 3.91Å; L8-L81 HydrophobicContact CG-CD1 4.41Å; L8-L81 HydrophobicContact CG-CG 4.08Å; V9-L81 PolarHBondContact O-N 3.4Å; I10-L81 CarbonylContact C-O 3.5Å; I10-L81 VanDerWaalsContact CA-O 3.27Å; I10-L81 WeakPolarHBondContact CA-O 3.15Å; I10-L81 HydrophobicContact CB-CB 4.07Å; I10-L81 HydrophobicContact CD1-CB 4.12Å; I10-L81 HydrophobicContact CD1-CD1 4.26Å; I10-L81 HydrophobicContact CG1-CB 3.78Å; V11-L81 PolarHBondContact N-O 3.28Å; L81-I113 HydrophobicContact CD2-CB 3.66Å; L81-I113 HydrophobicContact CD2-CG1 3.96Å; L81-I113 HydrophobicContact CD2-CG2 4.2Å; L81-V115 HydrophobicContact CD2-CG2 4.06Å; L81-V170 HydrophobicContact CD1-CG1 3.84Å; L81-V170 HydrophobicContact CD2-CG1 3.86Å; L81-F171 HydrophobicContact CD1-CD1 4.44Å; L81-F171 HydrophobicContact CD1-CE1 3.88Å; L81-F171 HydrophobicContact CD1-CZ 4.05Å; L81-A174 HydrophobicContact CD2-CB 3.78Å |
| 82 | M | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 111.8 | 176.5 | -175.6 | 172.6 | -69.3 | 0 | 0 | 107.9 | V11 I80 I95 W99 V103 I112 I113 L114 V115 I151 | V11-M82 HydrophobicContact CG2-CB 4.25Å; V11-M82 HydrophobicContact CG2-CE 4.25Å; V11-M82 HydrophobicContact CG2-CG 4.18Å; I80-M82 HydrophobicContact CG2-CB 4.29Å; M82-I95 HydrophobicContact CG-CD1 3.71Å; M82-I95 HydrophobicContact SD-CD1 4.18Å; M82-I95 HydrophobicContact SD-CG2 3.72Å; M82-W99 HydrophobicContact CE-CB 3.98Å; M82-W99 HydrophobicContact CG-CB 4.21Å; M82-W99 HydrophobicContact SD-CB 3.93Å; M82-V103 HydrophobicContact CE-CB 3.9Å; M82-V103 HydrophobicContact CE-CG1 4.33Å; M82-V103 HydrophobicContact CE-CG2 3.69Å; M82-I112 HydrophobicContact CB-CG2 3.66Å; M82-I112 HydrophobicContact CE-CD1 4.01Å; M82-I112 HydrophobicContact CE-CG2 4.11Å; M82-I112 HydrophobicContact SD-CG2 4.21Å; M82-I113 PolarHBondContact N-O 3.23Å; M82-L114 HydrophobicContact CB-CD1 4.4Å; M82-L114 HydrophobicContact CG-CD1 4.22Å; M82-L114 CarbonylContact O-C 3.4Å; M82-L114 WeakPolarHBondContact O-CA 3.16Å; M82-V115 PolarHBondContact O-N 2.88Å; M82-I151 HydrophobicContact SD-CD1 3.88Å |
| 83 | C | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 129.9 | -164.1 | -168.8 | 0 | 0 | 0 | 0 | 111.5 | I10 V11 G12 C16 K18 V115 | I10-C83 HydrophobicContact CD1-CB 4.22Å; I10-C83 HydrophobicContact CG1-CB 4.26Å; V11-C83 PolarHBondContact O-N 3.19Å; G12-C83 VanDerWaalsContact CA-O 3.27Å; G12-C83 WeakPolarHBondContact CA-O 3.5Å; C16-C83 PolarHBondContact SG-O 3.12Å; C16-C83 VanDerWaalsContact SG-O 3.39Å; K18-C83 HydrophobicContact CG-CB 4.11Å; C83-V115 WeakPolarHBondContact CA-O 3.35Å |
| 84 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 169.5 | 165.4 | 73.6 | -88.4 | 0 | 0 | 0 | 109.5 | I86 S91 L92 I95 L114 V115 N117 V139 Y156 | F84-I86 HydrophobicContact CE2-CG1 4.25Å; F84-S91 WeakPolarHBondContact CB-O 3.26Å; F84-L92 HydrophobicContact CD1-CD1 3.69Å; F84-L92 HydrophobicContact CD2-CB 3.99Å; F84-L92 HydrophobicContact CD2-CD1 4.09Å; F84-L92 HydrophobicContact CE1-CD1 3.62Å; F84-L92 HydrophobicContact CE2-CB 4.43Å; F84-L92 HydrophobicContact CE2-CD1 4.08Å; F84-L92 HydrophobicContact CG-CB 4.22Å; F84-L92 HydrophobicContact CG-CD1 3.92Å; F84-L92 HydrophobicContact CZ-CD1 3.83Å; F84-I95 HydrophobicContact CB-CD1 4.23Å; F84-I95 HydrophobicContact CB-CG1 4.27Å; F84-L114 HydrophobicContact CD1-CD1 3.94Å; F84-L114 HydrophobicContact CD1-CG 4.22Å; F84-L114 HydrophobicContact CE1-CD1 4.24Å; F84-L114 HydrophobicContact CE1-CD2 4.2Å; F84-L114 HydrophobicContact CE1-CG 4Å; F84-V115 WeakPolarHBondContact CD1-O 3.45Å; F84-V115 PolarHBondContact N-O 3.21Å; F84-N117 PolarHBondContact O-N 2.77Å; F84-V139 HydrophobicContact CD2-CG2 4.42Å; F84-V139 HydrophobicContact CE2-CB 3.97Å; F84-V139 HydrophobicContact CE2-CG1 3.67Å; F84-V139 HydrophobicContact CE2-CG2 4.12Å; F84-V139 HydrophobicContact CZ-CG1 4.11Å; F84-Y156 AromaticContact CE1-CE2 3.75Å; F84-Y156 HydrophobicContact CE1-CE2 3.75Å; F84-Y156 AromaticContact CZ-CE2 3.84Å; F84-Y156 HydrophobicContact CZ-CE2 3.84Å |
| 85 | S | 98.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.014 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.5 | -178.3 | -145.8 | 0 | 0 | 0 | 0 | 110.7 | D87 S88 S91 K118 | S85-D87 WeakPolarHBondContact CB-OD1 3.46Å; S85-D87 PolarHBondContact O-N 3.48Å; S85-D87 PolarHBondContact OG-OD1 2.9Å; S85-S88 CarbonylContact O-C 3.46Å; S85-S88 PolarHBondContact O-N 2.87Å; S85-S88 VanDerWaalsContact O-O 3.11Å; S85-S91 PolarHBondContact N-OG 2.86Å; S85-S91 PolarHBondContact O-OG 3.08Å; S85-K118 WeakPolarHBondContact OG-CD 3.2Å; S85-K118 WeakPolarHBondContact OG-CE 3.47Å; S85-K118 WeakPolarHBondContact OG-CG 3.15Å; S85-K118 PolarHBondContact OG-NZ 2.77Å |
| 86 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -30.9 | -179 | -75.6 | 165.5 | 0 | 0 | 0 | 112.1 | F84 S88 N117 K119 R122 P138 V139 E158 | F84-I86 HydrophobicContact CE2-CG1 4.25Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 3.26Å; I86-N117 WeakPolarHBondContact CB-O 3.42Å; I86-N117 WeakPolarHBondContact CG1-O 3.44Å; I86-N117 PolarHBondContact N-O 3.48Å; I86-K119 VanDerWaalsContact CD1-CA 3.44Å; I86-K119 HydrophobicContact CD1-CB 3.75Å; I86-K119 HydrophobicContact CD1-CG 4.1Å; I86-R122 VanDerWaalsContact CD1-NH2 3.31Å; I86-R122 HydrophobicContact CG2-CB 3.91Å; I86-R122 HydrophobicContact CG2-CG 4.44Å; I86-P138 HydrophobicContact CG2-CB 4.06Å; I86-P138 CarbonylContact O-C 3.51Å; I86-P138 VanDerWaalsContact O-CA 3.25Å; I86-P138 WeakPolarHBondContact O-CA 3.39Å; I86-V139 PolarHBondContact O-N 3.37Å; I86-E158 HydrophobicContact CD1-CB 4.37Å; I86-E158 HydrophobicContact CD1-CG 4.26Å |
| 87 | D | 98.6 | Very high | 98.7 | Very high | 37 Ų | 37 | 25.9 Ų | 25.9 | 20% | 0.198 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 2.5 | 173.7 | 64.9 | -33.4 | 0 | 0 | 0 | 114.1 | S85 K118 L121 T127 | S85-D87 WeakPolarHBondContact CB-OD1 3.46Å; S85-D87 PolarHBondContact O-N 3.48Å; S85-D87 PolarHBondContact OG-OD1 2.9Å; D87-K118 WeakPolarHBondContact OD1-CD 3.41Å; D87-K118 IonicContact OD1-NZ 3.75Å; D87-K118 PolarHBondContact OD1-NZ 3.28Å; D87-K118 IonicContact OD2-NZ 3.21Å; D87-K118 PolarHBondContact OD2-NZ 3.4Å; D87-K118 VanDerWaalsContact OD2-NZ 3.15Å; D87-L121 HydrophobicContact CB-CB 4.02Å; D87-L121 HydrophobicContact CB-CD1 3.81Å; D87-L121 VanDerWaalsContact OD2-CD1 3.3Å; D87-L121 WeakPolarHBondContact OD2-CD1 2.91Å; D87-T127 HydrophobicContact CB-CG2 3.61Å |
| 88 | S | 98.5 | Very high | 98.6 | Very high | 41 Ų | 41 | 27 Ų | 27 | 29% | 0.287 | 14% | 0.14 | S | C | . | . | trans | -136.1 | 91 | -179.2 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | S85 I86 D90 S91 | S85-S88 CarbonylContact O-C 3.46Å; S85-S88 PolarHBondContact O-N 2.87Å; S85-S88 VanDerWaalsContact O-O 3.11Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 3.26Å; S88-D90 VanDerWaalsContact C-N 3.28Å; S88-D90 PolarHBondContact O-N 2.55Å; S88-S91 WeakPolarHBondContact O-CB 3.16Å; S88-S91 PolarHBondContact O-N 3.49Å; S88-S91 PolarHBondContact O-OG 2.54Å | ||
| 89 | P | 98.6 | Very high | 98.7 | Very high | 17 Ų | 17 | 26.6 Ų | 26.6 | 11% | 0.11 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -54.6 | -41.1 | 178 | -29.9 | 39.6 | 0 | 0 | 0 | 113.6 | S91 L92 E93 L131 Q136 E137 | P89-S91 PolarHBondContact O-N 3.32Å; P89-S91 VanDerWaalsContact O-N 3.16Å; P89-L92 WeakPolarHBondContact O-CA 3.44Å; P89-L92 WeakPolarHBondContact O-CB 3.15Å; P89-L92 PolarHBondContact O-N 3.47Å; P89-E93 PolarHBondContact O-N 2.73Å; P89-E93 VanDerWaalsContact O-N 3.13Å; P89-L131 HydrophobicContact CG-CD2 4.49Å; P89-Q136 HydrophobicContact CG-CB 4.23Å; P89-Q136 HydrophobicContact CG-CG 4.47Å; P89-E137 WeakPolarHBondContact CG-O 3.34Å |
| 90 | D | 98.4 | Very high | 98.7 | Very high | 75 Ų | 75 | 27.4 Ų | 27.4 | 40% | 0.401 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -54.5 | -36.5 | 176.6 | -55.8 | 3.8 | 0 | 0 | 0 | 111.7 | S88 L92 E93 N94 Q136 | S88-D90 VanDerWaalsContact C-N 3.28Å; S88-D90 PolarHBondContact O-N 2.55Å; D90-L92 VanDerWaalsContact C-N 3.25Å; D90-L92 PolarHBondContact O-N 3.42Å; D90-E93 PolarHBondContact O-N 2.95Å; D90-E93 VanDerWaalsContact O-N 3.1Å; D90-N94 PolarHBondContact O-N 3.3Å; D90-N94 PolarHBondContact O-ND2 2.64Å; D90-Q136 PolarHBondContact OD1-NE2 3.03Å |
| 91 | S | 98.8 | Very high | 98.6 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68 | -23.4 | 178.2 | 75.1 | 0 | 0 | 0 | 0 | 114 | D13 F84 S85 S88 P89 I95 | D13-S91 VanDerWaalsContact OD2-CA 3.28Å; D13-S91 WeakPolarHBondContact OD2-CA 3.32Å; F84-S91 WeakPolarHBondContact CB-O 3.26Å; S85-S91 PolarHBondContact N-OG 2.86Å; S85-S91 PolarHBondContact O-OG 3.08Å; S88-S91 WeakPolarHBondContact O-CB 3.16Å; S88-S91 PolarHBondContact O-N 3.49Å; S88-S91 PolarHBondContact O-OG 2.54Å; P89-S91 PolarHBondContact O-N 3.32Å; P89-S91 VanDerWaalsContact O-N 3.16Å; S91-I95 WeakPolarHBondContact O-CG1 3.35Å |
| 92 | L | 98.9 | Very high | 98.6 | Very high | 13 Ų | 13 | 32 Ų | 32 | 7% | 0.068 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -78 | -41.3 | 168.6 | -178.1 | 70.6 | 0 | 0 | 0 | 110.8 | F84 P89 D90 N94 I95 V139 Q143 M147 | F84-L92 HydrophobicContact CD1-CD1 3.69Å; F84-L92 HydrophobicContact CD2-CB 3.99Å; F84-L92 HydrophobicContact CD2-CD1 4.09Å; F84-L92 HydrophobicContact CE1-CD1 3.62Å; F84-L92 HydrophobicContact CE2-CB 4.43Å; F84-L92 HydrophobicContact CE2-CD1 4.08Å; F84-L92 HydrophobicContact CG-CB 4.22Å; F84-L92 HydrophobicContact CG-CD1 3.92Å; F84-L92 HydrophobicContact CZ-CD1 3.83Å; P89-L92 WeakPolarHBondContact O-CA 3.44Å; P89-L92 WeakPolarHBondContact O-CB 3.15Å; P89-L92 PolarHBondContact O-N 3.47Å; D90-L92 VanDerWaalsContact C-N 3.25Å; D90-L92 PolarHBondContact O-N 3.42Å; L92-N94 VanDerWaalsContact C-N 3.25Å; L92-N94 PolarHBondContact O-N 3.3Å; L92-I95 HydrophobicContact CD1-CG1 4.34Å; L92-I95 WeakPolarHBondContact O-CB 3.3Å; L92-I95 WeakPolarHBondContact O-CG1 3.22Å; L92-I95 PolarHBondContact O-N 2.78Å; L92-V139 HydrophobicContact CB-CG2 4.26Å; L92-V139 HydrophobicContact CD2-CG1 3.73Å; L92-V139 HydrophobicContact CD2-CG2 4.34Å; L92-Q143 HydrophobicContact CD2-CB 4.14Å; L92-M147 HydrophobicContact CD1-CB 3.8Å; L92-M147 HydrophobicContact CD1-CE 4.46Å; L92-M147 HydrophobicContact CD1-CG 3.7Å; L92-M147 HydrophobicContact CG-CB 4.47Å; L92-M147 HydrophobicContact CG-CE 4.13Å; L92-M147 HydrophobicContact CG-CG 4.38Å |
| 93 | E | 98.6 | Very high | 98.6 | Very high | 110 Ų | 110 | 32 Ų | 32 | 51% | 0.514 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -62.2 | -34.4 | 179.2 | -65.4 | 178.1 | -179.8 | 0 | 0 | 111.9 | P89 D90 I95 P96 | P89-E93 PolarHBondContact O-N 2.73Å; P89-E93 VanDerWaalsContact O-N 3.13Å; D90-E93 PolarHBondContact O-N 2.95Å; D90-E93 VanDerWaalsContact O-N 3.1Å; E93-I95 PolarHBondContact O-N 2.89Å; E93-P96 WeakPolarHBondContact O-CD 3.49Å |
| 94 | N | 98.8 | Very high | 98.6 | Very high | 47 Ų | 47 | 35.8 Ų | 35.8 | 25% | 0.251 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -69.8 | -14.6 | 175.1 | -71.8 | -29.1 | 0 | 0 | 0 | 113.9 | D13 D90 L92 K98 W99 | D13-N94 PolarHBondContact OD2-ND2 3.38Å; D90-N94 PolarHBondContact O-N 3.3Å; D90-N94 PolarHBondContact O-ND2 2.64Å; L92-N94 VanDerWaalsContact C-N 3.25Å; L92-N94 PolarHBondContact O-N 3.3Å; N94-K98 WeakPolarHBondContact O-CB 3.27Å; N94-K98 PolarHBondContact O-N 2.7Å; N94-W99 PolarHBondContact O-N 3.18Å |
| 95 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -59.1 | -56.1 | -179.9 | -66.3 | -55.2 | 0 | 0 | 0 | 112.3 | M82 F84 S91 L92 E93 W99 T100 L114 M147 I151 | M82-I95 HydrophobicContact CG-CD1 3.71Å; M82-I95 HydrophobicContact SD-CD1 4.18Å; M82-I95 HydrophobicContact SD-CG2 3.72Å; F84-I95 HydrophobicContact CB-CD1 4.23Å; F84-I95 HydrophobicContact CB-CG1 4.27Å; S91-I95 WeakPolarHBondContact O-CG1 3.35Å; L92-I95 HydrophobicContact CD1-CG1 4.34Å; L92-I95 WeakPolarHBondContact O-CB 3.3Å; L92-I95 WeakPolarHBondContact O-CG1 3.22Å; L92-I95 PolarHBondContact O-N 2.78Å; E93-I95 PolarHBondContact O-N 2.89Å; I95-W99 HydrophobicContact CD1-CB 4.41Å; I95-W99 HydrophobicContact CD1-CG 4.4Å; I95-W99 PolarHBondContact O-N 2.83Å; I95-T100 VanDerWaalsContact O-CB 3.25Å; I95-T100 WeakPolarHBondContact O-CB 3.24Å; I95-T100 PolarHBondContact O-N 2.88Å; I95-T100 PolarHBondContact O-OG1 3.35Å; I95-L114 HydrophobicContact CD1-CD1 4.13Å; I95-L114 HydrophobicContact CG1-CD1 4.08Å; I95-L114 HydrophobicContact CG2-CD1 3.93Å; I95-M147 HydrophobicContact CB-CG 4.22Å; I95-M147 HydrophobicContact CB-SD 4.44Å; I95-M147 HydrophobicContact CG2-CG 3.88Å; I95-M147 HydrophobicContact CG2-SD 4.23Å; I95-I151 HydrophobicContact CG2-CD1 3.82Å; I95-I151 HydrophobicContact CG2-CG2 4.09Å |
| 96 | P | 98.6 | Very high | 98.5 | Very high | 32 Ų | 32 | 46.9 Ų | 46.9 | 21% | 0.208 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -77.6 | -26.4 | 178.6 | 30.4 | -37 | 0 | 0 | 0 | 112.8 | E93 P101 M147 I151 | E93-P96 WeakPolarHBondContact O-CD 3.49Å; P96-P101 WeakPolarHBondContact O-CD 3.27Å; P96-P101 WeakPolarHBondContact O-CG 3.46Å; P96-M147 HydrophobicContact CB-SD 4.19Å; P96-M147 WeakPolarHBondContact CD-SD 3.39Å; P96-M147 HydrophobicContact CG-CE 3.76Å; P96-M147 HydrophobicContact CG-SD 3.74Å; P96-I151 HydrophobicContact CB-CG2 4.32Å |
| 97 | E | 97.6 | Very high | 98.4 | Very high | 147 Ų | 147 | 47.1 Ų | 47.1 | 69% | 0.687 | 24% | 0.237 | S | C | * | . | I | π-helix | trans | -81.3 | -36.4 | -174.6 | -64 | -171 | 172.4 | 0 | 0 | 112.9 | ||
| 98 | K | 98 | Very high | 98.3 | Very high | 36 Ų | 36 | 48.9 Ų | 48.9 | 16% | 0.157 | 25% | 0.25 | C | S | . | . | I | π-helix | trans | -120.4 | -60.3 | -173.4 | 178.5 | 178.7 | -177.6 | 169.8 | 0 | 112.6 | E64 N94 P101 E102 | E64-K98 IonicContact OE1-NZ 3.25Å; E64-K98 PolarHBondContact OE1-NZ 3.43Å; N94-K98 WeakPolarHBondContact O-CB 3.27Å; N94-K98 PolarHBondContact O-N 2.7Å; K98-P101 WeakPolarHBondContact O-CD 3.23Å; K98-E102 PolarHBondContact O-N 3.05Å |
| 99 | W | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | I | π-helix | trans | -71.5 | -40.3 | -167 | -62.6 | 108.7 | 0 | 0 | 0 | 113 | V11 G12 D13 M82 N94 I95 V103 | V11-W99 HydrophobicContact CB-CE3 3.81Å; V11-W99 HydrophobicContact CB-CZ3 4.08Å; V11-W99 HydrophobicContact CG2-CE3 4.16Å; G12-W99 VanDerWaalsContact O-CH2 3.3Å; G12-W99 WeakPolarHBondContact O-CH2 3.21Å; G12-W99 WeakPolarHBondContact O-CZ2 3.18Å; D13-W99 WeakPolarHBondContact OD1-CZ2 3.45Å; D13-W99 PolarHBondContact OD1-NE1 2.87Å; M82-W99 HydrophobicContact CE-CB 3.98Å; M82-W99 HydrophobicContact CG-CB 4.21Å; M82-W99 HydrophobicContact SD-CB 3.93Å; N94-W99 PolarHBondContact O-N 3.18Å; I95-W99 HydrophobicContact CD1-CB 4.41Å; I95-W99 HydrophobicContact CD1-CG 4.4Å; I95-W99 PolarHBondContact O-N 2.83Å; W99-V103 WeakPolarHBondContact O-CB 3.22Å; W99-V103 VanDerWaalsContact O-CG2 3.3Å; W99-V103 WeakPolarHBondContact O-CG2 3.49Å; W99-V103 PolarHBondContact O-N 2.87Å |
| 100 | T | 98.8 | Very high | 98 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 10% | 0.104 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67 | -49.7 | 179.3 | -58.2 | 0 | 0 | 0 | 0 | 111.9 | I95 E102 V103 R104 I151 | I95-T100 VanDerWaalsContact O-CB 3.25Å; I95-T100 WeakPolarHBondContact O-CB 3.24Å; I95-T100 PolarHBondContact O-N 2.88Å; I95-T100 PolarHBondContact O-OG1 3.35Å; T100-E102 VanDerWaalsContact C-N 3.34Å; T100-E102 PolarHBondContact O-N 3.27Å; T100-V103 PolarHBondContact O-N 2.78Å; T100-R104 HydrophobicContact CG2-CG 3.95Å; T100-R104 VanDerWaalsContact O-CB 3.3Å; T100-R104 WeakPolarHBondContact O-CB 3.44Å; T100-R104 WeakPolarHBondContact O-CG 3.47Å; T100-R104 PolarHBondContact O-N 3.31Å; T100-I151 HydrophobicContact CG2-CB 3.96Å; T100-I151 HydrophobicContact CG2-CG2 4.13Å; T100-I151 WeakPolarHBondContact OG1-CG2 3.39Å |
| 101 | P | 98.5 | Very high | 98 | Very high | 69 Ų | 69 | 50.6 Ų | 50.6 | 45% | 0.448 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -56 | -45.6 | 175.4 | -28.6 | 36.3 | 0 | 0 | 0 | 113.2 | P96 K98 R104 H105 | P96-P101 WeakPolarHBondContact O-CD 3.27Å; P96-P101 WeakPolarHBondContact O-CG 3.46Å; K98-P101 WeakPolarHBondContact O-CD 3.23Å; P101-R104 PolarHBondContact O-N 3.17Å; P101-H105 WeakPolarHBondContact O-CB 3.38Å; P101-H105 PolarHBondContact O-N 2.91Å |
| 102 | E | 98.5 | Very high | 98 | Very high | 27 Ų | 27 | 50.6 Ų | 50.6 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.3 | -52.9 | 178.7 | -173.8 | -176.4 | 129.8 | 0 | 0 | 111.5 | R70 Y74 K98 T100 R104 H105 F106 | R70-E102 WeakPolarHBondContact CD-OE1 3.44Å; R70-E102 IonicContact CZ-OE2 2.74Å; R70-E102 IonicContact NH1-OE1 3.46Å; R70-E102 PolarHBondContact NH1-OE1 2.93Å; R70-E102 IonicContact NH1-OE2 3.31Å; R70-E102 PolarHBondContact NH1-OE2 2.97Å; Y74-E102 HydrophobicContact CE2-CG 4.06Å; Y74-E102 WeakPolarHBondContact CE2-OE1 3.31Å; Y74-E102 PolarHBondContact OH-OE1 3.46Å; K98-E102 PolarHBondContact O-N 3.05Å; T100-E102 VanDerWaalsContact C-N 3.34Å; T100-E102 PolarHBondContact O-N 3.27Å; E102-R104 VanDerWaalsContact C-N 3.33Å; E102-R104 PolarHBondContact O-N 2.94Å; E102-H105 WeakPolarHBondContact O-CB 3.36Å; E102-H105 PolarHBondContact O-N 2.82Å; E102-H105 VanDerWaalsContact O-N 3.15Å; E102-F106 HydrophobicContact CG-CD2 4.04Å; E102-F106 HydrophobicContact CG-CE2 4.02Å; E102-F106 VanDerWaalsContact O-CD2 3.28Å; E102-F106 WeakPolarHBondContact O-CD2 3.43Å; E102-F106 PolarHBondContact O-N 2.98Å |
| 103 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | -179.7 | 168 | 0 | 0 | 0 | 0 | 110.9 | V11 I80 M82 W99 T100 H105 F106 C107 I112 | V11-V103 HydrophobicContact CG1-CG2 4.45Å; V11-V103 HydrophobicContact CG2-CG2 3.8Å; I80-V103 HydrophobicContact CB-CG1 4.35Å; I80-V103 HydrophobicContact CD1-CG1 4.17Å; I80-V103 HydrophobicContact CD1-CG2 4.47Å; I80-V103 HydrophobicContact CG1-CG1 3.76Å; I80-V103 HydrophobicContact CG2-CG1 4.16Å; I80-V103 HydrophobicContact CG2-CG2 4.2Å; M82-V103 HydrophobicContact CE-CB 3.9Å; M82-V103 HydrophobicContact CE-CG1 4.33Å; M82-V103 HydrophobicContact CE-CG2 3.69Å; W99-V103 WeakPolarHBondContact O-CB 3.22Å; W99-V103 VanDerWaalsContact O-CG2 3.3Å; W99-V103 WeakPolarHBondContact O-CG2 3.49Å; W99-V103 PolarHBondContact O-N 2.87Å; T100-V103 PolarHBondContact O-N 2.78Å; V103-H105 VanDerWaalsContact C-N 3.28Å; V103-H105 PolarHBondContact O-N 2.74Å; V103-F106 PolarHBondContact O-N 3.11Å; V103-C107 HydrophobicContact CG1-CB 4.19Å; V103-C107 CarbonylContact O-C 3.45Å; V103-C107 VanDerWaalsContact O-CA 3.25Å; V103-C107 WeakPolarHBondContact O-CA 3.42Å; V103-C107 WeakPolarHBondContact O-CB 3.41Å; V103-C107 PolarHBondContact O-N 3.2Å; V103-I112 HydrophobicContact CB-CD1 4.5Å; V103-I112 HydrophobicContact CG1-CD1 3.72Å; V103-I112 HydrophobicContact CG1-CG1 4.03Å |
| 104 | R | 98.1 | Very high | 98 | Very high | 80 Ų | 80 | 44.7 Ų | 44.7 | 30% | 0.302 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69 | -27.6 | 179.5 | -66.4 | -64.6 | -172 | -172.3 | 0.4 | 112.4 | T100 P101 E102 P108 I151 G152 | T100-R104 HydrophobicContact CG2-CG 3.95Å; T100-R104 VanDerWaalsContact O-CB 3.3Å; T100-R104 WeakPolarHBondContact O-CB 3.44Å; T100-R104 WeakPolarHBondContact O-CG 3.47Å; T100-R104 PolarHBondContact O-N 3.31Å; P101-R104 PolarHBondContact O-N 3.17Å; E102-R104 VanDerWaalsContact C-N 3.33Å; E102-R104 PolarHBondContact O-N 2.94Å; R104-P108 VanDerWaalsContact O-CA 3.32Å; R104-P108 WeakPolarHBondContact O-CA 3.38Å; R104-P108 WeakPolarHBondContact O-CB 3.28Å; R104-I151 PolarHBondContact NH2-O 3.02Å; R104-G152 PolarHBondContact NH2-O 3.38Å |
| 105 | H | 98 | Very high | 98 | Very high | 142 Ų | 142 | 42.5 Ų | 42.5 | 66% | 0.657 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -65.7 | -48.9 | 173.5 | -179.6 | 81.5 | 0 | 0 | 0 | 111.9 | P101 E102 V103 | P101-H105 WeakPolarHBondContact O-CB 3.38Å; P101-H105 PolarHBondContact O-N 2.91Å; E102-H105 WeakPolarHBondContact O-CB 3.36Å; E102-H105 PolarHBondContact O-N 2.82Å; E102-H105 VanDerWaalsContact O-N 3.15Å; V103-H105 VanDerWaalsContact C-N 3.28Å; V103-H105 PolarHBondContact O-N 2.74Å |
| 106 | F | 98.2 | Very high | 98 | Very high | 93 Ų | 93 | 42.5 Ų | 42.5 | 41% | 0.408 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -90.1 | -27.5 | -175.6 | -65.2 | -73.9 | 0 | 0 | 0 | 114.2 | P71 Y74 E102 V103 P108 | P71-F106 HydrophobicContact CB-CD1 4.13Å; P71-F106 HydrophobicContact CB-CD2 4.12Å; P71-F106 HydrophobicContact CB-CE1 3.7Å; P71-F106 HydrophobicContact CB-CE2 3.69Å; P71-F106 HydrophobicContact CB-CG 4.34Å; P71-F106 HydrophobicContact CB-CZ 3.47Å; P71-F106 VanDerWaalsContact CB-CZ 3.47Å; P71-F106 HydrophobicContact CG-CD2 4.27Å; P71-F106 HydrophobicContact CG-CE1 4.32Å; P71-F106 HydrophobicContact CG-CE2 3.54Å; P71-F106 HydrophobicContact CG-CZ 3.57Å; Y74-F106 HydrophobicContact CD2-CB 3.36Å; Y74-F106 HydrophobicContact CD2-CD1 4.42Å; Y74-F106 AromaticContact CD2-CD2 3.51Å; Y74-F106 HydrophobicContact CD2-CD2 3.51Å; Y74-F106 HydrophobicContact CD2-CE2 4.42Å; Y74-F106 AromaticContact CD2-CG 3.52Å; Y74-F106 HydrophobicContact CD2-CG 3.52Å; Y74-F106 HydrophobicContact CE2-CB 4.21Å; Y74-F106 AromaticContact CE2-CD2 3.65Å; Y74-F106 HydrophobicContact CE2-CD2 3.65Å; Y74-F106 HydrophobicContact CE2-CE2 4.38Å; Y74-F106 HydrophobicContact CE2-CG 4.16Å; Y74-F106 HydrophobicContact CG-CB 3.93Å; Y74-F106 HydrophobicContact CG-CG 4.49Å; E102-F106 HydrophobicContact CG-CD2 4.04Å; E102-F106 HydrophobicContact CG-CE2 4.02Å; E102-F106 VanDerWaalsContact O-CD2 3.28Å; E102-F106 WeakPolarHBondContact O-CD2 3.43Å; E102-F106 PolarHBondContact O-N 2.98Å; V103-F106 PolarHBondContact O-N 3.11Å; F106-P108 VanDerWaalsContact C-CD 3.45Å |
| 107 | C | 97.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.027 | 21% | 0.208 | C | C | . | . | trans | -129.2 | 53.8 | -172.1 | -67.2 | 0 | 0 | 0 | 0 | 111.9 | V103 N109 V110 | V103-C107 HydrophobicContact CG1-CB 4.19Å; V103-C107 CarbonylContact O-C 3.45Å; V103-C107 VanDerWaalsContact O-CA 3.25Å; V103-C107 WeakPolarHBondContact O-CA 3.42Å; V103-C107 WeakPolarHBondContact O-CB 3.41Å; V103-C107 PolarHBondContact O-N 3.2Å; C107-N109 VanDerWaalsContact C-N 3.25Å; C107-N109 PolarHBondContact O-N 2.93Å; C107-V110 HydrophobicContact CB-CB 3.83Å; C107-V110 HydrophobicContact CB-CG2 3.61Å; C107-V110 PolarHBondContact O-N 3.44Å; C107-V110 VanDerWaalsContact O-N 3.09Å | ||
| 108 | P | 95.2 | Very high | 98.1 | Very high | 75 Ų | 75 | 36.4 Ų | 36.4 | 49% | 0.487 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -30.6 | -166 | 20.7 | -33.9 | 0 | 0 | 0 | 115.1 | R104 F106 | R104-P108 VanDerWaalsContact O-CA 3.32Å; R104-P108 WeakPolarHBondContact O-CA 3.38Å; R104-P108 WeakPolarHBondContact O-CB 3.28Å; F106-P108 VanDerWaalsContact C-CD 3.45Å |
| 109 | N | 93.3 | Very high | 98.1 | Very high | 130 Ų | 130 | 37.5 Ų | 37.5 | 70% | 0.695 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 9.2 | -176.8 | -57.1 | -71 | 0 | 0 | 0 | 113.4 | C107 | C107-N109 VanDerWaalsContact C-N 3.25Å; C107-N109 PolarHBondContact O-N 2.93Å |
| 110 | V | 98 | Very high | 98.1 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 12% | 0.115 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -83.7 | 131.8 | -179 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | T77 V79 I80 C107 | T77-V110 HydrophobicContact CG2-CG1 4.06Å; T77-V110 WeakPolarHBondContact O-CG2 3.41Å; V79-V110 VanDerWaalsContact CA-CG1 3.5Å; I80-V110 HydrophobicContact CG1-CB 4.45Å; I80-V110 HydrophobicContact CG1-CG1 3.85Å; C107-V110 HydrophobicContact CB-CB 3.83Å; C107-V110 HydrophobicContact CB-CG2 3.61Å; C107-V110 PolarHBondContact O-N 3.44Å; C107-V110 VanDerWaalsContact O-N 3.09Å |
| 111 | P | 98.6 | Very high | 98.1 | Very high | 20 Ų | 20 | 40.1 Ų | 40.1 | 13% | 0.13 | 20% | 0.203 | C | C | . | . | trans | -63.5 | 137.9 | 176 | 25.5 | -33.3 | 0 | 0 | 0 | 110.5 | D78 V79 I80 Y154 A177 V181 | D78-P111 WeakPolarHBondContact O-CD 3.44Å; V79-P111 HydrophobicContact CB-CG 4.29Å; V79-P111 HydrophobicContact CG2-CG 4.18Å; I80-P111 PolarHBondContact N-O 2.96Å; P111-Y154 HydrophobicContact CB-CG 4.49Å; P111-A177 HydrophobicContact CB-CB 3.97Å; P111-A177 HydrophobicContact CG-CB 3.96Å; P111-V181 HydrophobicContact CG-CG2 3.86Å | ||
| 112 | I | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.8 | 176.1 | -60.8 | 173.4 | 0 | 0 | 0 | 107.9 | I80 M82 V103 I151 A153 Y154 | I80-I112 HydrophobicContact CB-CG1 4.13Å; I80-I112 HydrophobicContact CG2-CG1 4.38Å; I80-I112 HydrophobicContact CG2-CG2 4.41Å; M82-I112 HydrophobicContact CB-CG2 3.66Å; M82-I112 HydrophobicContact CE-CD1 4.01Å; M82-I112 HydrophobicContact CE-CG2 4.11Å; M82-I112 HydrophobicContact SD-CG2 4.21Å; V103-I112 HydrophobicContact CB-CD1 4.5Å; V103-I112 HydrophobicContact CG1-CD1 3.72Å; V103-I112 HydrophobicContact CG1-CG1 4.03Å; I112-I151 HydrophobicContact CG2-CD1 4.31Å; I112-A153 CarbonylContact O-C 3.6Å; I112-A153 WeakPolarHBondContact O-CA 3.23Å; I112-Y154 PolarHBondContact O-N 3.32Å |
| 113 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 119.7 | 164 | -46.1 | -51.2 | 0 | 0 | 0 | 107.1 | V79 I80 L81 M82 V115 Y154 A155 L157 T173 A174 A177 | V79-I113 HydrophobicContact CG2-CG1 4.1Å; I80-I113 PolarHBondContact O-N 3.44Å; L81-I113 HydrophobicContact CD2-CB 3.66Å; L81-I113 HydrophobicContact CD2-CG1 3.96Å; L81-I113 HydrophobicContact CD2-CG2 4.2Å; M82-I113 PolarHBondContact N-O 3.23Å; I113-V115 HydrophobicContact CG2-CG2 4.14Å; I113-Y154 HydrophobicContact CD1-CD1 3.55Å; I113-Y154 HydrophobicContact CD1-CE1 4.5Å; I113-Y154 HydrophobicContact CD1-CG 4.08Å; I113-A155 HydrophobicContact CD1-CB 4.36Å; I113-A155 HydrophobicContact CG2-CB 4.46Å; I113-L157 HydrophobicContact CG2-CD1 4.1Å; I113-T173 HydrophobicContact CD1-CG2 4.19Å; I113-A174 HydrophobicContact CG1-CB 3.93Å; I113-A177 HydrophobicContact CD1-CB 4.1Å |
| 114 | L | 99 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 128.2 | 172.2 | -174.7 | 66.4 | 0 | 0 | 0 | 109 | M82 F84 I95 M147 A148 I151 A153 A155 Y156 L157 | M82-L114 HydrophobicContact CB-CD1 4.4Å; M82-L114 HydrophobicContact CG-CD1 4.22Å; M82-L114 CarbonylContact O-C 3.4Å; M82-L114 WeakPolarHBondContact O-CA 3.16Å; F84-L114 HydrophobicContact CD1-CD1 3.94Å; F84-L114 HydrophobicContact CD1-CG 4.22Å; F84-L114 HydrophobicContact CE1-CD1 4.24Å; F84-L114 HydrophobicContact CE1-CD2 4.2Å; F84-L114 HydrophobicContact CE1-CG 4Å; I95-L114 HydrophobicContact CD1-CD1 4.13Å; I95-L114 HydrophobicContact CG1-CD1 4.08Å; I95-L114 HydrophobicContact CG2-CD1 3.93Å; L114-M147 HydrophobicContact CD2-CB 3.9Å; L114-M147 HydrophobicContact CD2-CG 3.86Å; L114-A148 HydrophobicContact CB-CB 4.25Å; L114-A148 HydrophobicContact CD2-CB 3.88Å; L114-I151 HydrophobicContact CD1-CD1 4.33Å; L114-A153 HydrophobicContact CB-CB 4.2Å; L114-A155 PolarHBondContact N-O 2.98Å; L114-Y156 HydrophobicContact CB-CD2 4.18Å; L114-Y156 HydrophobicContact CD2-CD2 4.04Å; L114-Y156 HydrophobicContact CD2-CE2 4.5Å; L114-Y156 HydrophobicContact CG-CD2 4.03Å; L114-Y156 WeakPolarHBondContact O-CA 3.33Å; L114-Y156 WeakPolarHBondContact O-CD2 3.48Å; L114-L157 PolarHBondContact O-N 3.23Å |
| 115 | V | 99 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 117.3 | -175.6 | -175.9 | 0 | 0 | 0 | 0 | 110.3 | L21 L81 M82 C83 F84 I113 L157 V170 | L21-V115 HydrophobicContact CD2-CG1 4.18Å; L81-V115 HydrophobicContact CD2-CG2 4.06Å; M82-V115 PolarHBondContact O-N 2.88Å; C83-V115 WeakPolarHBondContact CA-O 3.35Å; F84-V115 WeakPolarHBondContact CD1-O 3.45Å; F84-V115 PolarHBondContact N-O 3.21Å; I113-V115 HydrophobicContact CG2-CG2 4.14Å; V115-L157 CarbonylContact C-O 3.54Å; V115-L157 WeakPolarHBondContact CA-O 3.2Å; V115-V170 HydrophobicContact CG1-CG2 4.12Å; V115-V170 HydrophobicContact CG2-CG1 3.83Å; V115-V170 HydrophobicContact CG2-CG2 4.35Å |
| 116 | G | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 99 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | L157 E158 C159 | G116-L157 PolarHBondContact N-O 2.82Å; G116-E158 CarbonylContact O-C 3.59Å; G116-E158 VanDerWaalsContact O-CA 3.23Å; G116-E158 WeakPolarHBondContact O-CA 3.33Å; G116-C159 PolarHBondContact O-N 2.76Å |
| 117 | N | 98.9 | Very high | 98.1 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 171.5 | -179.8 | -169.5 | 26.8 | 0 | 0 | 0 | 111.8 | C16 G17 F84 I86 K119 C159 A161 | C16-N117 PolarHBondContact O-ND2 2.65Å; G17-N117 PolarHBondContact O-ND2 3.48Å; F84-N117 PolarHBondContact O-N 2.77Å; I86-N117 WeakPolarHBondContact CB-O 3.42Å; I86-N117 WeakPolarHBondContact CG1-O 3.44Å; I86-N117 PolarHBondContact N-O 3.48Å; N117-K119 VanDerWaalsContact C-N 3.31Å; N117-K119 PolarHBondContact O-N 3.37Å; N117-C159 CarbonylContact C-O 3.48Å; N117-C159 WeakPolarHBondContact CA-O 3.28Å; N117-A161 PolarHBondContact OD1-N 2.9Å |
| 118 | K | 98.6 | Very high | 98.2 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 21% | 0.213 | 24% | 0.237 | C | C | . | . | trans | 58.6 | 39.8 | -177.4 | -48.3 | -165.3 | -155.1 | 150.9 | 0 | 113.1 | A15 S85 D87 D120 L121 C159 | A15-K118 WeakPolarHBondContact O-CE 3.35Å; A15-K118 PolarHBondContact O-NZ 2.77Å; S85-K118 WeakPolarHBondContact OG-CD 3.2Å; S85-K118 WeakPolarHBondContact OG-CE 3.47Å; S85-K118 WeakPolarHBondContact OG-CG 3.15Å; S85-K118 PolarHBondContact OG-NZ 2.77Å; D87-K118 WeakPolarHBondContact OD1-CD 3.41Å; D87-K118 IonicContact OD1-NZ 3.75Å; D87-K118 PolarHBondContact OD1-NZ 3.28Å; D87-K118 IonicContact OD2-NZ 3.21Å; D87-K118 PolarHBondContact OD2-NZ 3.4Å; D87-K118 VanDerWaalsContact OD2-NZ 3.15Å; K118-D120 WeakPolarHBondContact CA-OD1 3.34Å; K118-D120 PolarHBondContact O-N 3.26Å; K118-D120 VanDerWaalsContact O-N 3.13Å; K118-L121 HydrophobicContact CB-CD1 3.91Å; K118-L121 HydrophobicContact CB-CG 4.2Å; K118-L121 HydrophobicContact CD-CD1 3.75Å; K118-L121 HydrophobicContact CG-CD1 4.48Å; K118-L121 WeakPolarHBondContact O-CB 3.35Å; K118-L121 PolarHBondContact O-N 3.35Å; K118-C159 PolarHBondContact N-O 3.44Å; K118-C159 VanDerWaalsContact N-O 3.11Å | ||
| 119 | K | 98.8 | Very high | 98.3 | Very high | 59 Ų | 59 | 49.1 Ų | 49.1 | 26% | 0.257 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -54.5 | -30.2 | 177.7 | -172.5 | -173.3 | -179.3 | -170.5 | 0 | 113.6 | I86 N117 L121 R122 E158 C159 E165 | I86-K119 VanDerWaalsContact CD1-CA 3.44Å; I86-K119 HydrophobicContact CD1-CB 3.75Å; I86-K119 HydrophobicContact CD1-CG 4.1Å; N117-K119 VanDerWaalsContact C-N 3.31Å; N117-K119 PolarHBondContact O-N 3.37Å; K119-L121 PolarHBondContact O-N 2.8Å; K119-R122 WeakPolarHBondContact O-CB 3.34Å; K119-R122 PolarHBondContact O-N 2.96Å; K119-E158 HydrophobicContact CD-CB 3.97Å; K119-E158 HydrophobicContact CG-CB 4.4Å; K119-C159 VanDerWaalsContact CB-O 3.24Å; K119-C159 WeakPolarHBondContact CB-O 2.96Å; K119-C159 PolarHBondContact N-O 2.99Å; K119-E165 IonicContact NZ-OE1 2.67Å; K119-E165 PolarHBondContact NZ-OE1 3.07Å |
| 120 | D | 98.5 | Very high | 98.5 | Very high | 44 Ų | 44 | 47.4 Ų | 47.4 | 24% | 0.235 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -58.4 | -25.2 | 175.4 | 57.8 | -66.9 | 0 | 0 | 0 | 113.4 | K118 S160 K162 T163 | K118-D120 WeakPolarHBondContact CA-OD1 3.34Å; K118-D120 PolarHBondContact O-N 3.26Å; K118-D120 VanDerWaalsContact O-N 3.13Å; D120-S160 VanDerWaalsContact CG-OG 3.27Å; D120-S160 VanDerWaalsContact OD1-CB 3.23Å; D120-S160 WeakPolarHBondContact OD1-CB 3.5Å; D120-S160 PolarHBondContact OD1-OG 2.94Å; D120-K162 WeakPolarHBondContact OD2-CD 3.46Å; D120-T163 HydrophobicContact CB-CG2 3.88Å |
| 121 | L | 98.6 | Very high | 98.5 | Very high | 29 Ų | 29 | 47.2 Ų | 47.2 | 15% | 0.152 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -85.2 | -8.3 | -178.4 | -58.2 | -177.9 | 0 | 0 | 0 | 114.1 | D87 K118 K119 N123 D124 T127 | D87-L121 HydrophobicContact CB-CB 4.02Å; D87-L121 HydrophobicContact CB-CD1 3.81Å; D87-L121 VanDerWaalsContact OD2-CD1 3.3Å; D87-L121 WeakPolarHBondContact OD2-CD1 2.91Å; K118-L121 HydrophobicContact CB-CD1 3.91Å; K118-L121 HydrophobicContact CB-CG 4.2Å; K118-L121 HydrophobicContact CD-CD1 3.75Å; K118-L121 HydrophobicContact CG-CD1 4.48Å; K118-L121 WeakPolarHBondContact O-CB 3.35Å; K118-L121 PolarHBondContact O-N 3.35Å; K119-L121 PolarHBondContact O-N 2.8Å; L121-N123 VanDerWaalsContact C-N 3.26Å; L121-N123 PolarHBondContact O-N 3.18Å; L121-D124 HydrophobicContact CB-CB 4.49Å; L121-D124 HydrophobicContact CD2-CB 4.12Å; L121-D124 PolarHBondContact O-N 3.39Å; L121-T127 HydrophobicContact CB-CG2 4.15Å |
| 122 | R | 98.4 | Very high | 98.5 | Very high | 43 Ų | 43 | 49.3 Ų | 49.3 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -39.6 | -179.2 | -177.2 | 172 | -69.9 | 134.3 | -4.2 | 113.2 | I86 K119 P138 V139 E158 | I86-R122 VanDerWaalsContact CD1-NH2 3.31Å; I86-R122 HydrophobicContact CG2-CB 3.91Å; I86-R122 HydrophobicContact CG2-CG 4.44Å; K119-R122 WeakPolarHBondContact O-CB 3.34Å; K119-R122 PolarHBondContact O-N 2.96Å; R122-P138 HydrophobicContact CG-CB 4.29Å; R122-V139 PolarHBondContact NE-O 3.5Å; R122-V139 PolarHBondContact NH2-O 3.32Å; R122-V139 VanDerWaalsContact NH2-O 3.07Å; R122-E158 IonicContact CZ-OE1 3.89Å; R122-E158 IonicContact CZ-OE2 2.72Å; R122-E158 VanDerWaalsContact CZ-OE2 3.26Å; R122-E158 IonicContact NH1-OE1 3.51Å; R122-E158 IonicContact NH1-OE2 2.83Å; R122-E158 PolarHBondContact NH1-OE2 3.41Å; R122-E158 IonicContact NH2-OE1 3.45Å; R122-E158 PolarHBondContact NH2-OE1 2.96Å; R122-E158 IonicContact NH2-OE2 3.75Å; R122-E158 PolarHBondContact NH2-OE2 3.22Å |
| 123 | N | 97.6 | Very high | 98.5 | Very high | 134 Ų | 134 | 56.8 Ų | 56.8 | 72% | 0.717 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.4 | 11.7 | -178.2 | -60.9 | -39.2 | 0 | 0 | 0 | 111.8 | L121 P125 | L121-N123 VanDerWaalsContact C-N 3.26Å; L121-N123 PolarHBondContact O-N 3.18Å; N123-P125 WeakPolarHBondContact O-CD 3.39Å |
| 124 | D | 98.5 | Very high | 98.4 | Very high | 51 Ų | 51 | 63.1 Ų | 63.1 | 27% | 0.273 | 31% | 0.313 | S | S | . | . | trans | -72 | 122.4 | -178.8 | 171.9 | 62.8 | 0 | 0 | 0 | 110.3 | L121 Q126 T127 L128 | L121-D124 HydrophobicContact CB-CB 4.49Å; L121-D124 HydrophobicContact CD2-CB 4.12Å; L121-D124 PolarHBondContact O-N 3.39Å; D124-Q126 PolarHBondContact O-N 3.17Å; D124-Q126 WeakPolarHBondContact OD2-CB 3.08Å; D124-Q126 PolarHBondContact OD2-N 3.36Å; D124-T127 PolarHBondContact O-N 3.1Å; D124-T127 WeakPolarHBondContact OD2-CB 3.48Å; D124-T127 PolarHBondContact OD2-N 2.89Å; D124-T127 PolarHBondContact OD2-OG1 3.33Å; D124-L128 VanDerWaalsContact O-CG 3.32Å; D124-L128 WeakPolarHBondContact O-CG 3.49Å; D124-L128 PolarHBondContact O-N 3.47Å | ||
| 125 | P | 98.3 | Very high | 98.3 | Very high | 88 Ų | 88 | 72.9 Ų | 72.9 | 57% | 0.571 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.9 | -26.9 | -175.4 | -25.6 | 34.8 | 0 | 0 | 0 | 114.4 | N123 R129 | N123-P125 WeakPolarHBondContact O-CD 3.39Å; P125-R129 VanDerWaalsContact O-CG 3.25Å; P125-R129 WeakPolarHBondContact O-CG 3.39Å; P125-R129 PolarHBondContact O-N 2.76Å; P125-R129 PolarHBondContact O-NE 3.02Å; P125-R129 VanDerWaalsContact O-NE 3.13Å |
| 126 | Q | 98.3 | Very high | 98.2 | Very high | 106 Ų | 106 | 75.6 Ų | 75.6 | 50% | 0.495 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -75 | -49.5 | 176.4 | 178.8 | 171.6 | -11.9 | 0 | 0 | 110.6 | D124 L128 R129 E130 | D124-Q126 PolarHBondContact O-N 3.17Å; D124-Q126 WeakPolarHBondContact OD2-CB 3.08Å; D124-Q126 PolarHBondContact OD2-N 3.36Å; Q126-L128 VanDerWaalsContact C-N 3.31Å; Q126-L128 PolarHBondContact O-N 2.95Å; Q126-R129 PolarHBondContact O-N 3.1Å; Q126-R129 VanDerWaalsContact O-N 3.08Å; Q126-E130 HydrophobicContact CG-CG 4.44Å; Q126-E130 VanDerWaalsContact CG-OE1 3.3Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.36Å; Q126-E130 PolarHBondContact NE2-OE1 3.22Å; Q126-E130 WeakPolarHBondContact O-CG 3.32Å; Q126-E130 PolarHBondContact O-N 3.3Å |
| 127 | T | 98.4 | Very high | 98.2 | Very high | 13 Ų | 13 | 82.4 Ų | 82.4 | 8% | 0.08 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -54.7 | -47.2 | 176.1 | -56.9 | 0 | 0 | 0 | 0 | 111.2 | D87 L121 D124 R129 E130 L131 P138 | D87-T127 HydrophobicContact CB-CG2 3.61Å; L121-T127 HydrophobicContact CB-CG2 4.15Å; D124-T127 PolarHBondContact O-N 3.1Å; D124-T127 WeakPolarHBondContact OD2-CB 3.48Å; D124-T127 PolarHBondContact OD2-N 2.89Å; D124-T127 PolarHBondContact OD2-OG1 3.33Å; T127-R129 VanDerWaalsContact C-N 3.34Å; T127-R129 PolarHBondContact O-N 2.91Å; T127-E130 PolarHBondContact O-N 3.44Å; T127-L131 HydrophobicContact CG2-CD1 3.88Å; T127-L131 PolarHBondContact O-N 3.37Å; T127-P138 HydrophobicContact CG2-CG 4.46Å |
| 128 | L | 98.6 | Very high | 98.2 | Very high | 74 Ų | 74 | 82.8 Ų | 82.8 | 39% | 0.387 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | 176.7 | -69.8 | 172.1 | 0 | 0 | 0 | 112.3 | D124 Q126 A132 P138 | D124-L128 VanDerWaalsContact O-CG 3.32Å; D124-L128 WeakPolarHBondContact O-CG 3.49Å; D124-L128 PolarHBondContact O-N 3.47Å; Q126-L128 VanDerWaalsContact C-N 3.31Å; Q126-L128 PolarHBondContact O-N 2.95Å; L128-A132 WeakPolarHBondContact O-CB 3.45Å; L128-A132 PolarHBondContact O-N 3.37Å; L128-P138 HydrophobicContact CD2-CG 3.7Å |
| 129 | R | 98.5 | Very high | 98.2 | Very high | 169 Ų | 169 | 80.6 Ų | 80.6 | 64% | 0.638 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68.1 | -36.6 | 177.8 | -76.2 | -177.1 | -62.2 | 175.9 | 4.5 | 112.5 | P125 Q126 T127 K133 | P125-R129 VanDerWaalsContact O-CG 3.25Å; P125-R129 WeakPolarHBondContact O-CG 3.39Å; P125-R129 PolarHBondContact O-N 2.76Å; P125-R129 PolarHBondContact O-NE 3.02Å; P125-R129 VanDerWaalsContact O-NE 3.13Å; Q126-R129 PolarHBondContact O-N 3.1Å; Q126-R129 VanDerWaalsContact O-N 3.08Å; T127-R129 VanDerWaalsContact C-N 3.34Å; T127-R129 PolarHBondContact O-N 2.91Å; R129-K133 WeakPolarHBondContact O-CG 3.15Å; R129-K133 PolarHBondContact O-N 3.13Å |
| 130 | E | 98.1 | Very high | 98.2 | Very high | 94 Ų | 94 | 83.5 Ų | 83.5 | 44% | 0.439 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.9 | -46.8 | 180 | -73.5 | 174.8 | -172.7 | 0 | 0 | 111.5 | Q126 T127 A132 K133 | Q126-E130 HydrophobicContact CG-CG 4.44Å; Q126-E130 VanDerWaalsContact CG-OE1 3.3Å; Q126-E130 WeakPolarHBondContact CG-OE1 3.36Å; Q126-E130 PolarHBondContact NE2-OE1 3.22Å; Q126-E130 WeakPolarHBondContact O-CG 3.32Å; Q126-E130 PolarHBondContact O-N 3.3Å; T127-E130 PolarHBondContact O-N 3.44Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-A132 PolarHBondContact O-N 2.92Å; E130-K133 WeakPolarHBondContact O-CB 3.34Å; E130-K133 PolarHBondContact O-N 2.94Å |
| 131 | L | 98.4 | Very high | 98.2 | Very high | 16 Ų | 16 | 83.9 Ų | 83.9 | 8% | 0.084 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -64.5 | -38.5 | 175.8 | -71.7 | 170.6 | 0 | 0 | 0 | 112.2 | P89 T127 K133 M134 K135 Q136 P138 | P89-L131 HydrophobicContact CG-CD2 4.49Å; T127-L131 HydrophobicContact CG2-CD1 3.88Å; T127-L131 PolarHBondContact O-N 3.37Å; L131-K133 PolarHBondContact O-N 2.9Å; L131-M134 CarbonylContact O-C 3.39Å; L131-M134 WeakPolarHBondContact O-CA 3.19Å; L131-M134 PolarHBondContact O-N 2.89Å; L131-K135 PolarHBondContact O-N 3.36Å; L131-K135 VanDerWaalsContact O-N 3.13Å; L131-Q136 CarbonylContact C-O 3.18Å; L131-Q136 HydrophobicContact CB-CB 4.12Å; L131-Q136 WeakPolarHBondContact CB-O 2.99Å; L131-Q136 HydrophobicContact CD2-CB 3.88Å; L131-Q136 PolarHBondContact O-N 3.46Å; L131-P138 HydrophobicContact CD1-CB 4.35Å; L131-P138 HydrophobicContact CD1-CG 3.7Å |
| 132 | A | 97.9 | Very high | 98.2 | Very high | 63 Ų | 63 | 86.5 Ų | 86.5 | 52% | 0.521 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -60.2 | -31.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | L128 E130 M134 K135 Q136 | L128-A132 WeakPolarHBondContact O-CB 3.45Å; L128-A132 PolarHBondContact O-N 3.37Å; E130-A132 VanDerWaalsContact C-N 3.34Å; E130-A132 PolarHBondContact O-N 2.92Å; A132-M134 PolarHBondContact O-N 3.02Å; A132-K135 PolarHBondContact O-N 3.16Å; A132-Q136 PolarHBondContact N-O 2.95Å |
| 133 | K | 98 | Very high | 98.2 | Very high | 158 Ų | 158 | 88 Ų | 88 | 69% | 0.687 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -61 | -30.6 | 173.6 | -68.3 | 167.8 | -173.4 | 173.4 | 0 | 111.9 | R129 E130 L131 | R129-K133 WeakPolarHBondContact O-CG 3.15Å; R129-K133 PolarHBondContact O-N 3.13Å; E130-K133 WeakPolarHBondContact O-CB 3.34Å; E130-K133 PolarHBondContact O-N 2.94Å; L131-K133 PolarHBondContact O-N 2.9Å |
| 134 | M | 96.5 | Very high | 98.3 | Very high | 134 Ų | 134 | 81.7 Ų | 81.7 | 66% | 0.66 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | 10.5 | 178.3 | -52.7 | -42.7 | -59.4 | 0 | 0 | 112.9 | L131 A132 Q136 | L131-M134 CarbonylContact O-C 3.39Å; L131-M134 WeakPolarHBondContact O-CA 3.19Å; L131-M134 PolarHBondContact O-N 2.89Å; A132-M134 PolarHBondContact O-N 3.02Å; M134-Q136 PolarHBondContact O-N 3.41Å |
| 135 | K | 97.3 | Very high | 98.3 | Very high | 205 Ų | 205 | 84.9 Ų | 84.9 | 89% | 0.891 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 31.6 | -175.3 | -53.3 | 178.1 | -179.6 | 177.4 | 0 | 113.1 | L131 A132 | L131-K135 PolarHBondContact O-N 3.36Å; L131-K135 VanDerWaalsContact O-N 3.13Å; A132-K135 PolarHBondContact O-N 3.16Å |
| 136 | Q | 98 | Very high | 98.3 | Very high | 56 Ų | 56 | 83.4 Ų | 83.4 | 26% | 0.262 | 40% | 0.403 | S | S | . | . | trans | -109.3 | 164.7 | 175.7 | -73.9 | -175.2 | -23.5 | 0 | 0 | 110.1 | P89 D90 L131 A132 M134 | P89-Q136 HydrophobicContact CG-CB 4.23Å; P89-Q136 HydrophobicContact CG-CG 4.47Å; D90-Q136 PolarHBondContact OD1-NE2 3.03Å; L131-Q136 CarbonylContact C-O 3.18Å; L131-Q136 HydrophobicContact CB-CB 4.12Å; L131-Q136 WeakPolarHBondContact CB-O 2.99Å; L131-Q136 HydrophobicContact CD2-CB 3.88Å; L131-Q136 PolarHBondContact O-N 3.46Å; A132-Q136 PolarHBondContact N-O 2.95Å; M134-Q136 PolarHBondContact O-N 3.41Å | ||
| 137 | E | 98.2 | Very high | 98.4 | Very high | 143 Ų | 143 | 79.3 Ų | 79.3 | 67% | 0.668 | 38% | 0.384 | S | S | * | . | trans | -136.3 | 155 | 173.7 | -65.1 | -177.8 | 166.3 | 0 | 0 | 108.9 | P89 | P89-E137 WeakPolarHBondContact CG-O 3.34Š| ||
| 138 | P | 98.7 | Very high | 98.4 | Very high | 11 Ų | 11 | 79 Ų | 79 | 7% | 0.071 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 145.8 | 174.3 | -24.9 | 34 | 0 | 0 | 0 | 112.2 | I86 R122 T127 L128 L131 R140 | I86-P138 HydrophobicContact CG2-CB 4.06Å; I86-P138 CarbonylContact O-C 3.51Å; I86-P138 VanDerWaalsContact O-CA 3.25Å; I86-P138 WeakPolarHBondContact O-CA 3.39Å; R122-P138 HydrophobicContact CG-CB 4.29Å; T127-P138 HydrophobicContact CG2-CG 4.46Å; L128-P138 HydrophobicContact CD2-CG 3.7Å; L131-P138 HydrophobicContact CD1-CB 4.35Å; L131-P138 HydrophobicContact CD1-CG 3.7Å; P138-R140 PolarHBondContact O-N 2.9Å |
| 139 | V | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 81.8 Ų | 81.8 | 1% | 0.012 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 124.2 | -179.8 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | F84 I86 L92 R122 Q143 | F84-V139 HydrophobicContact CD2-CG2 4.42Å; F84-V139 HydrophobicContact CE2-CB 3.97Å; F84-V139 HydrophobicContact CE2-CG1 3.67Å; F84-V139 HydrophobicContact CE2-CG2 4.12Å; F84-V139 HydrophobicContact CZ-CG1 4.11Å; I86-V139 PolarHBondContact O-N 3.37Å; L92-V139 HydrophobicContact CB-CG2 4.26Å; L92-V139 HydrophobicContact CD2-CG1 3.73Å; L92-V139 HydrophobicContact CD2-CG2 4.34Å; R122-V139 PolarHBondContact NE-O 3.5Å; R122-V139 PolarHBondContact NH2-O 3.32Å; R122-V139 VanDerWaalsContact NH2-O 3.07Å; V139-Q143 HydrophobicContact CG1-CB 4.12Å |
| 140 | R | 98.6 | Very high | 98.4 | Very high | 121 Ų | 121 | 80 Ų | 80 | 46% | 0.457 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -79.7 | 155.1 | 175.2 | -54.9 | -169.9 | -45.6 | -111.8 | 0.8 | 111.3 | P138 D142 Q143 G144 | P138-R140 PolarHBondContact O-N 2.9Å; R140-D142 VanDerWaalsContact C-N 3.27Å; R140-D142 WeakPolarHBondContact CB-OD1 3.43Å; R140-D142 IonicContact CZ-OD1 3.15Å; R140-D142 IonicContact CZ-OD2 2.85Å; R140-D142 IonicContact NE-OD1 3.56Å; R140-D142 PolarHBondContact NE-OD1 3.4Å; R140-D142 IonicContact NE-OD2 2.73Å; R140-D142 PolarHBondContact NE-OD2 3.08Å; R140-D142 IonicContact NH2-OD1 3.39Å; R140-D142 IonicContact NH2-OD2 3.64Å; R140-D142 PolarHBondContact NH2-OD2 2.8Å; R140-D142 PolarHBondContact O-N 3.45Å; R140-Q143 HydrophobicContact CB-CG 4.3Å; R140-Q143 WeakPolarHBondContact O-CB 3.18Å; R140-Q143 PolarHBondContact O-N 3.03Å; R140-Q143 VanDerWaalsContact O-N 3.13Å; R140-G144 PolarHBondContact O-N 2.91Å |
| 141 | T | 98.7 | Very high | 98.4 | Very high | 52 Ų | 52 | 76.2 Ų | 76.2 | 32% | 0.319 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.1 | -33.9 | -179.6 | -57.1 | 0 | 0 | 0 | 0 | 113.4 | K145 Y156 E158 | T141-K145 HydrophobicContact CG2-CD 4.36Å; T141-K145 VanDerWaalsContact O-CG 3.32Å; T141-K145 WeakPolarHBondContact O-CG 3.44Å; T141-K145 PolarHBondContact O-N 2.7Å; T141-Y156 HydrophobicContact CG2-CE1 4.18Å; T141-E158 WeakPolarHBondContact CA-OE1 3.48Å; T141-E158 WeakPolarHBondContact CB-OE1 3.2Å; T141-E158 PolarHBondContact OG1-OE1 3.48Å; T141-E158 PolarHBondContact OG1-OE2 3.4Å |
| 142 | D | 98.7 | Very high | 98.4 | Very high | 83 Ų | 83 | 77.7 Ų | 77.7 | 44% | 0.444 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.4 | -34.7 | 176.9 | 63.1 | -44.6 | 0 | 0 | 0 | 112.4 | R140 K145 A146 | R140-D142 VanDerWaalsContact C-N 3.27Å; R140-D142 WeakPolarHBondContact CB-OD1 3.43Å; R140-D142 IonicContact CZ-OD1 3.15Å; R140-D142 IonicContact CZ-OD2 2.85Å; R140-D142 IonicContact NE-OD1 3.56Å; R140-D142 PolarHBondContact NE-OD1 3.4Å; R140-D142 IonicContact NE-OD2 2.73Å; R140-D142 PolarHBondContact NE-OD2 3.08Å; R140-D142 IonicContact NH2-OD1 3.39Å; R140-D142 IonicContact NH2-OD2 3.64Å; R140-D142 PolarHBondContact NH2-OD2 2.8Å; R140-D142 PolarHBondContact O-N 3.45Å; D142-K145 PolarHBondContact O-N 2.82Å; D142-A146 WeakPolarHBondContact O-CB 3.13Å; D142-A146 PolarHBondContact O-N 2.64Å |
| 143 | Q | 98.8 | Very high | 98.4 | Very high | 76 Ų | 76 | 75.8 Ų | 75.8 | 36% | 0.355 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66 | -44.7 | 174.6 | -63.8 | 173.4 | -74.3 | 0 | 0 | 111.4 | L92 V139 R140 K145 A146 M147 | L92-Q143 HydrophobicContact CD2-CB 4.14Å; V139-Q143 HydrophobicContact CG1-CB 4.12Å; R140-Q143 HydrophobicContact CB-CG 4.3Å; R140-Q143 WeakPolarHBondContact O-CB 3.18Å; R140-Q143 PolarHBondContact O-N 3.03Å; R140-Q143 VanDerWaalsContact O-N 3.13Å; Q143-K145 PolarHBondContact O-N 2.97Å; Q143-A146 PolarHBondContact O-N 2.91Å; Q143-M147 WeakPolarHBondContact O-CB 3.39Å; Q143-M147 PolarHBondContact O-N 3.25Å |
| 144 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | R140 M147 A148 | R140-G144 PolarHBondContact O-N 2.91Å; G144-M147 PolarHBondContact O-N 2.99Å; G144-A148 PolarHBondContact O-N 3.16Å |
| 145 | K | 98.8 | Very high | 98.6 | Very high | 119 Ų | 119 | 67.7 Ų | 67.7 | 52% | 0.517 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.3 | -48.6 | 172.6 | -75.6 | 176.3 | 178.5 | 178.8 | 0 | 112.1 | T141 D142 Q143 M147 A148 D149 Y156 | T141-K145 HydrophobicContact CG2-CD 4.36Å; T141-K145 VanDerWaalsContact O-CG 3.32Å; T141-K145 WeakPolarHBondContact O-CG 3.44Å; T141-K145 PolarHBondContact O-N 2.7Å; D142-K145 PolarHBondContact O-N 2.82Å; Q143-K145 PolarHBondContact O-N 2.97Å; K145-M147 PolarHBondContact O-N 3.38Å; K145-A148 WeakPolarHBondContact O-CB 3.41Å; K145-A148 PolarHBondContact O-N 3.32Å; K145-A148 VanDerWaalsContact O-N 3.11Å; K145-D149 PolarHBondContact O-N 2.46Å; K145-Y156 HydrophobicContact CB-CD1 4.37Å; K145-Y156 HydrophobicContact CG-CD1 3.52Å; K145-Y156 HydrophobicContact CG-CE1 4.03Å; K145-Y156 HydrophobicContact CG-CG 4.45Å |
| 146 | A | 98.9 | Very high | 98.6 | Very high | 57 Ų | 57 | 59.6 Ų | 59.6 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -58.5 | -39.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D142 Q143 D149 Q150 | D142-A146 WeakPolarHBondContact O-CB 3.13Å; D142-A146 PolarHBondContact O-N 2.64Å; Q143-A146 PolarHBondContact O-N 2.91Å; A146-D149 PolarHBondContact O-N 2.87Å; A146-Q150 WeakPolarHBondContact O-CB 3.23Å; A146-Q150 PolarHBondContact O-N 3.11Å |
| 147 | M | 98.8 | Very high | 98.7 | Very high | 20 Ų | 20 | 58.9 Ų | 58.9 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 175.4 | -172.5 | 56.9 | 73.7 | 0 | 0 | 112.4 | L92 I95 P96 L114 Q143 G144 K145 D149 Q150 I151 | L92-M147 HydrophobicContact CD1-CB 3.8Å; L92-M147 HydrophobicContact CD1-CE 4.46Å; L92-M147 HydrophobicContact CD1-CG 3.7Å; L92-M147 HydrophobicContact CG-CB 4.47Å; L92-M147 HydrophobicContact CG-CE 4.13Å; L92-M147 HydrophobicContact CG-CG 4.38Å; I95-M147 HydrophobicContact CB-CG 4.22Å; I95-M147 HydrophobicContact CB-SD 4.44Å; I95-M147 HydrophobicContact CG2-CG 3.88Å; I95-M147 HydrophobicContact CG2-SD 4.23Å; P96-M147 HydrophobicContact CB-SD 4.19Å; P96-M147 WeakPolarHBondContact CD-SD 3.39Å; P96-M147 HydrophobicContact CG-CE 3.76Å; P96-M147 HydrophobicContact CG-SD 3.74Å; L114-M147 HydrophobicContact CD2-CB 3.9Å; L114-M147 HydrophobicContact CD2-CG 3.86Å; Q143-M147 WeakPolarHBondContact O-CB 3.39Å; Q143-M147 PolarHBondContact O-N 3.25Å; G144-M147 PolarHBondContact O-N 2.99Å; K145-M147 PolarHBondContact O-N 3.38Å; M147-D149 VanDerWaalsContact C-N 3.31Å; M147-D149 PolarHBondContact O-N 2.9Å; M147-Q150 WeakPolarHBondContact O-CB 3.4Å; M147-Q150 PolarHBondContact O-N 3.03Å; M147-Q150 HydrophobicContact SD-CB 4.46Å; M147-I151 WeakPolarHBondContact O-CG1 3.24Å; M147-I151 PolarHBondContact O-N 3.36Å; M147-I151 HydrophobicContact SD-CG2 4.11Å |
| 148 | A | 98.9 | Very high | 98.7 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 4% | 0.041 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61 | -41.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L114 G144 K145 G152 A153 Y156 | L114-A148 HydrophobicContact CB-CB 4.25Å; L114-A148 HydrophobicContact CD2-CB 3.88Å; G144-A148 PolarHBondContact O-N 3.16Å; K145-A148 WeakPolarHBondContact O-CB 3.41Å; K145-A148 PolarHBondContact O-N 3.32Å; K145-A148 VanDerWaalsContact O-N 3.11Å; A148-G152 PolarHBondContact O-N 2.87Å; A148-A153 HydrophobicContact CB-CB 3.98Å; A148-A153 PolarHBondContact O-N 2.88Å; A148-Y156 HydrophobicContact CB-CG 4.34Å |
| 149 | D | 98.8 | Very high | 98.7 | Very high | 134 Ų | 134 | 52.8 Ų | 52.8 | 72% | 0.717 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.4 | -45.1 | 173.8 | -67.2 | -24.3 | 0 | 0 | 0 | 110.9 | K145 A146 M147 I151 G152 | K145-D149 PolarHBondContact O-N 2.46Å; A146-D149 PolarHBondContact O-N 2.87Å; M147-D149 VanDerWaalsContact C-N 3.31Å; M147-D149 PolarHBondContact O-N 2.9Å; D149-I151 PolarHBondContact O-N 3.45Å; D149-G152 PolarHBondContact O-N 3.5Å |
| 150 | Q | 98.6 | Very high | 98.7 | Very high | 131 Ų | 131 | 52.7 Ų | 52.7 | 61% | 0.612 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -57.7 | -43.2 | 179.3 | 177.5 | -178.7 | -17.9 | 0 | 0 | 112.7 | A146 M147 G152 | A146-Q150 WeakPolarHBondContact O-CB 3.23Å; A146-Q150 PolarHBondContact O-N 3.11Å; M147-Q150 WeakPolarHBondContact O-CB 3.4Å; M147-Q150 PolarHBondContact O-N 3.03Å; M147-Q150 HydrophobicContact SD-CB 4.46Å; Q150-G152 VanDerWaalsContact C-N 3.34Å |
| 151 | I | 98.5 | Very high | 98.7 | Very high | 14 Ų | 14 | 47 Ų | 47 | 7% | 0.072 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -1.6 | -177.4 | 72.2 | 171.5 | 0 | 0 | 0 | 113.7 | M82 I95 P96 T100 R104 I112 L114 M147 D149 A153 | M82-I151 HydrophobicContact SD-CD1 3.88Å; I95-I151 HydrophobicContact CG2-CD1 3.82Å; I95-I151 HydrophobicContact CG2-CG2 4.09Å; P96-I151 HydrophobicContact CB-CG2 4.32Å; T100-I151 HydrophobicContact CG2-CB 3.96Å; T100-I151 HydrophobicContact CG2-CG2 4.13Å; T100-I151 WeakPolarHBondContact OG1-CG2 3.39Å; R104-I151 PolarHBondContact NH2-O 3.02Å; I112-I151 HydrophobicContact CG2-CD1 4.31Å; L114-I151 HydrophobicContact CD1-CD1 4.33Å; M147-I151 WeakPolarHBondContact O-CG1 3.24Å; M147-I151 PolarHBondContact O-N 3.36Å; M147-I151 HydrophobicContact SD-CG2 4.11Å; D149-I151 PolarHBondContact O-N 3.45Å; I151-A153 HydrophobicContact CD1-CB 4.17Å; I151-A153 HydrophobicContact CG1-CB 3.96Å |
| 152 | G | 98 | Very high | 98.7 | Very high | 48 Ų | 48 | 50.7 Ų | 50.7 | 50% | 0.495 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 45.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R104 A148 D149 Q150 | R104-G152 PolarHBondContact NH2-O 3.38Å; A148-G152 PolarHBondContact O-N 2.87Å; D149-G152 PolarHBondContact O-N 3.5Å; Q150-G152 VanDerWaalsContact C-N 3.34Å |
| 153 | A | 98.7 | Very high | 98.6 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 18% | 0.182 | 27% | 0.27 | C | S | . | . | trans | -67.8 | 147.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | I112 L114 A148 I151 A155 | I112-A153 CarbonylContact O-C 3.6Å; I112-A153 WeakPolarHBondContact O-CA 3.23Å; L114-A153 HydrophobicContact CB-CB 4.2Å; A148-A153 HydrophobicContact CB-CB 3.98Å; A148-A153 PolarHBondContact O-N 2.88Å; I151-A153 HydrophobicContact CD1-CB 4.17Å; I151-A153 HydrophobicContact CG1-CB 3.96Å; A153-A155 VanDerWaalsContact C-N 3.31Å | ||
| 154 | Y | 98.5 | Very high | 98.6 | Very high | 98 Ų | 98 | 51 Ų | 51 | 38% | 0.384 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -66.5 | -36.2 | 174.4 | 175.2 | -82.9 | 0 | 0 | 0 | 111.4 | P111 I112 I113 T173 A177 Q180 | P111-Y154 HydrophobicContact CB-CG 4.49Å; I112-Y154 PolarHBondContact O-N 3.32Å; I113-Y154 HydrophobicContact CD1-CD1 3.55Å; I113-Y154 HydrophobicContact CD1-CE1 4.5Å; I113-Y154 HydrophobicContact CD1-CG 4.08Å; Y154-T173 HydrophobicContact CD1-CG2 4.33Å; Y154-T173 HydrophobicContact CE1-CG2 4.11Å; Y154-A177 HydrophobicContact CD1-CB 3.8Å; Y154-A177 HydrophobicContact CD2-CB 4.11Å; Y154-A177 HydrophobicContact CE1-CB 3.84Å; Y154-A177 HydrophobicContact CE2-CB 4.12Å; Y154-A177 HydrophobicContact CG-CB 3.96Å; Y154-Q180 PolarHBondContact OH-NE2 3.23Å; Y154-Q180 PolarHBondContact OH-OE1 3.41Å |
| 155 | A | 98.7 | Very high | 98.6 | Very high | 25 Ų | 25 | 55.4 Ų | 55.4 | 21% | 0.207 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 159.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | I113 L114 A153 T173 | I113-A155 HydrophobicContact CD1-CB 4.36Å; I113-A155 HydrophobicContact CG2-CB 4.46Å; L114-A155 PolarHBondContact N-O 2.98Å; A153-A155 VanDerWaalsContact C-N 3.31Å; A155-T173 HydrophobicContact CB-CG2 3.8Å |
| 156 | Y | 98.9 | Very high | 98.6 | Very high | 34 Ų | 34 | 50.4 Ų | 50.4 | 13% | 0.133 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.4 | 165.7 | 175.3 | -119.4 | 0 | 0 | 0 | 110 | F84 L114 T141 K145 A148 E158 | F84-Y156 AromaticContact CE1-CE2 3.75Å; F84-Y156 HydrophobicContact CE1-CE2 3.75Å; F84-Y156 AromaticContact CZ-CE2 3.84Å; F84-Y156 HydrophobicContact CZ-CE2 3.84Å; L114-Y156 HydrophobicContact CB-CD2 4.18Å; L114-Y156 HydrophobicContact CD2-CD2 4.04Å; L114-Y156 HydrophobicContact CD2-CE2 4.5Å; L114-Y156 HydrophobicContact CG-CD2 4.03Å; L114-Y156 WeakPolarHBondContact O-CA 3.33Å; L114-Y156 WeakPolarHBondContact O-CD2 3.48Å; T141-Y156 HydrophobicContact CG2-CE1 4.18Å; K145-Y156 HydrophobicContact CB-CD1 4.37Å; K145-Y156 HydrophobicContact CG-CD1 3.52Å; K145-Y156 HydrophobicContact CG-CE1 4.03Å; K145-Y156 HydrophobicContact CG-CG 4.45Å; A148-Y156 HydrophobicContact CB-CG 4.34Å; Y156-E158 HydrophobicContact CE1-CG 3.85Å; Y156-E158 HydrophobicContact CE2-CG 4.3Å; Y156-E158 VanDerWaalsContact OH-CD 3.31Å; Y156-E158 WeakPolarHBondContact OH-CG 3.17Å; Y156-E158 PolarHBondContact OH-OE1 3.1Å |
| 157 | L | 98.9 | Very high | 98.6 | Very high | 41 Ų | 41 | 48 Ų | 48 | 22% | 0.215 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 150.1 | 177.4 | -67.5 | 163.9 | 0 | 0 | 0 | 110.1 | I113 L114 V115 G116 V170 T173 | I113-L157 HydrophobicContact CG2-CD1 4.1Å; L114-L157 PolarHBondContact O-N 3.23Å; V115-L157 CarbonylContact C-O 3.54Å; V115-L157 WeakPolarHBondContact CA-O 3.2Å; G116-L157 PolarHBondContact N-O 2.82Å; L157-V170 HydrophobicContact CB-CG2 3.83Å; L157-V170 HydrophobicContact CD1-CB 4.44Å; L157-V170 HydrophobicContact CD1-CG2 4.08Å; L157-T173 HydrophobicContact CD1-CG2 3.97Å |
| 158 | E | 98.9 | Very high | 98.5 | Very high | 26 Ų | 26 | 54.8 Ų | 54.8 | 12% | 0.121 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 140.1 | 172.4 | -64 | 180 | 176.3 | 0 | 0 | 109.6 | I86 G116 K119 R122 T141 Y156 | I86-E158 HydrophobicContact CD1-CB 4.37Å; I86-E158 HydrophobicContact CD1-CG 4.26Å; G116-E158 CarbonylContact O-C 3.59Å; G116-E158 VanDerWaalsContact O-CA 3.23Å; G116-E158 WeakPolarHBondContact O-CA 3.33Å; K119-E158 HydrophobicContact CD-CB 3.97Å; K119-E158 HydrophobicContact CG-CB 4.4Å; R122-E158 IonicContact CZ-OE1 3.89Å; R122-E158 IonicContact CZ-OE2 2.72Å; R122-E158 VanDerWaalsContact CZ-OE2 3.26Å; R122-E158 IonicContact NH1-OE1 3.51Å; R122-E158 IonicContact NH1-OE2 2.83Å; R122-E158 PolarHBondContact NH1-OE2 3.41Å; R122-E158 IonicContact NH2-OE1 3.45Å; R122-E158 PolarHBondContact NH2-OE1 2.96Å; R122-E158 IonicContact NH2-OE2 3.75Å; R122-E158 PolarHBondContact NH2-OE2 3.22Å; T141-E158 WeakPolarHBondContact CA-OE1 3.48Å; T141-E158 WeakPolarHBondContact CB-OE1 3.2Å; T141-E158 PolarHBondContact OG1-OE1 3.48Å; T141-E158 PolarHBondContact OG1-OE2 3.4Å; Y156-E158 HydrophobicContact CE1-CG 3.85Å; Y156-E158 HydrophobicContact CE2-CG 4.3Å; Y156-E158 VanDerWaalsContact OH-CD 3.31Å; Y156-E158 WeakPolarHBondContact OH-CG 3.17Å; Y156-E158 PolarHBondContact OH-OE1 3.1Å |
| 159 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.298 | C | S | . | . | trans | -146.7 | 168.8 | 179.2 | 66.1 | 0 | 0 | 0 | 0 | 111.4 | G116 N117 K118 K119 E165 V167 V170 | G116-C159 PolarHBondContact O-N 2.76Å; N117-C159 CarbonylContact C-O 3.48Å; N117-C159 WeakPolarHBondContact CA-O 3.28Å; K118-C159 PolarHBondContact N-O 3.44Å; K118-C159 VanDerWaalsContact N-O 3.11Å; K119-C159 VanDerWaalsContact CB-O 3.24Å; K119-C159 WeakPolarHBondContact CB-O 2.96Å; K119-C159 PolarHBondContact N-O 2.99Å; C159-E165 CarbonylContact C-O 3.6Å; C159-E165 WeakPolarHBondContact CA-O 3.33Å; C159-E165 WeakPolarHBondContact CB-O 3.11Å; C159-V167 HydrophobicContact CB-CG2 4.44Å; C159-V170 HydrophobicContact CB-CG2 4.13Å | ||
| 160 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | trans | -128.9 | 113.9 | 164 | 172.5 | 0 | 0 | 0 | 0 | 108.6 | D120 K162 T163 K164 E165 | D120-S160 VanDerWaalsContact CG-OG 3.27Å; D120-S160 VanDerWaalsContact OD1-CB 3.23Å; D120-S160 WeakPolarHBondContact OD1-CB 3.5Å; D120-S160 PolarHBondContact OD1-OG 2.94Å; S160-K162 PolarHBondContact O-N 2.7Å; S160-K162 PolarHBondContact OG-N 2.82Å; S160-T163 VanDerWaalsContact CB-OG1 3.24Å; S160-T163 WeakPolarHBondContact CB-OG1 3.3Å; S160-T163 PolarHBondContact O-N 3.13Å; S160-T163 PolarHBondContact OG-N 2.83Å; S160-T163 VanDerWaalsContact OG-N 3.09Å; S160-T163 PolarHBondContact OG-OG1 2.72Å; S160-K164 CarbonylContact O-C 3.55Å; S160-K164 VanDerWaalsContact O-CA 3.23Å; S160-K164 WeakPolarHBondContact O-CA 3.48Å; S160-K164 PolarHBondContact O-N 3.28Å; S160-E165 PolarHBondContact N-O 3.2Å; S160-E165 PolarHBondContact O-N 3.35Å | ||
| 161 | A | 98.5 | Very high | 98.5 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -35.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | C20 L21 V24 F30 N117 | C20-A161 HydrophobicContact CB-CB 4.04Å; L21-A161 HydrophobicContact CB-CB 4.34Å; L21-A161 HydrophobicContact CD1-CB 4.44Å; V24-A161 HydrophobicContact CG2-CB 4.22Å; V24-A161 WeakPolarHBondContact CG2-O 3.45Å; F30-A161 HydrophobicContact CD2-CB 4.2Å; F30-A161 HydrophobicContact CE2-CB 4.02Å; N117-A161 PolarHBondContact OD1-N 2.9Å |
| 162 | K | 97.5 | Very high | 98.5 | Very high | 129 Ų | 129 | 47.9 Ų | 47.9 | 56% | 0.561 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -44.2 | -176.9 | -173.1 | 178.8 | 178.4 | -176.1 | 0 | 112.8 | F30 D120 S160 | F30-K162 VanDerWaalsContact CD2-CA 3.48Å; F30-K162 HydrophobicContact CD2-CB 4.19Å; F30-K162 HydrophobicContact CE2-CB 3.88Å; F30-K162 HydrophobicContact CZ-CB 4.2Å; F30-K162 HydrophobicContact CZ-CG 4.46Å; D120-K162 WeakPolarHBondContact OD2-CD 3.46Å; S160-K162 PolarHBondContact O-N 2.7Å; S160-K162 PolarHBondContact OG-N 2.82Å |
| 163 | T | 97.9 | Very high | 98.6 | Very high | 77 Ų | 77 | 46.7 Ų | 46.7 | 47% | 0.472 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -4.4 | 179.8 | 68.5 | 0 | 0 | 0 | 0 | 113.2 | D120 S160 E165 | D120-T163 HydrophobicContact CB-CG2 3.88Å; S160-T163 VanDerWaalsContact CB-OG1 3.24Å; S160-T163 WeakPolarHBondContact CB-OG1 3.3Å; S160-T163 PolarHBondContact O-N 3.13Å; S160-T163 PolarHBondContact OG-N 2.83Å; S160-T163 VanDerWaalsContact OG-N 3.09Å; S160-T163 PolarHBondContact OG-OG1 2.72Å; T163-E165 PolarHBondContact O-N 3.15Å; T163-E165 WeakPolarHBondContact OG1-CB 3.23Å; T163-E165 PolarHBondContact OG1-N 3.39Å |
| 164 | K | 98.1 | Very high | 98.6 | Very high | 89 Ų | 89 | 45.7 Ų | 45.7 | 39% | 0.387 | 22% | 0.216 | S | C | . | . | trans | 65.7 | 2.9 | -171.8 | -48.2 | -177.4 | 176.4 | -174.6 | 0 | 114.6 | V24 D28 S160 G166 V167 | V24-K164 HydrophobicContact CG1-CB 4.46Å; V24-K164 HydrophobicContact CG1-CG 3.88Å; D28-K164 WeakPolarHBondContact O-CE 3.32Å; D28-K164 PolarHBondContact O-NZ 3.41Å; D28-K164 WeakPolarHBondContact OD1-CE 3.24Å; D28-K164 IonicContact OD1-NZ 2.75Å; D28-K164 PolarHBondContact OD1-NZ 2.73Å; D28-K164 IonicContact OD2-NZ 3.99Å; D28-K164 PolarHBondContact OD2-NZ 2.85Å; S160-K164 CarbonylContact O-C 3.55Å; S160-K164 VanDerWaalsContact O-CA 3.23Å; S160-K164 WeakPolarHBondContact O-CA 3.48Å; S160-K164 PolarHBondContact O-N 3.28Å; K164-G166 PolarHBondContact O-N 3.45Å; K164-V167 PolarHBondContact O-N 3.23Å | ||
| 165 | E | 98.7 | Very high | 98.6 | Very high | 91 Ų | 91 | 41 Ų | 41 | 43% | 0.425 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 129.4 | 178.1 | -172.7 | -169.3 | 168.9 | 0 | 0 | 110.7 | K119 C159 S160 T163 V167 | K119-E165 IonicContact NZ-OE1 2.67Å; K119-E165 PolarHBondContact NZ-OE1 3.07Å; C159-E165 CarbonylContact C-O 3.6Å; C159-E165 WeakPolarHBondContact CA-O 3.33Å; C159-E165 WeakPolarHBondContact CB-O 3.11Å; S160-E165 PolarHBondContact N-O 3.2Å; S160-E165 PolarHBondContact O-N 3.35Å; T163-E165 PolarHBondContact O-N 3.15Å; T163-E165 WeakPolarHBondContact OG1-CB 3.23Å; T163-E165 PolarHBondContact OG1-N 3.39Å; E165-V167 PolarHBondContact O-N 3.31Å; E165-V167 VanDerWaalsContact O-N 3.1Å |
| 166 | G | 98.7 | Very high | 98.5 | Very high | 15 Ų | 15 | 43.1 Ų | 43.1 | 16% | 0.155 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -5.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | K164 E169 V170 | K164-G166 PolarHBondContact O-N 3.45Å; G166-E169 WeakPolarHBondContact CA-OE2 3.2Å; G166-E169 PolarHBondContact O-N 3.29Å; G166-V170 WeakPolarHBondContact O-CG2 3.25Å; G166-V170 PolarHBondContact O-N 3.13Å; G166-V170 VanDerWaalsContact O-N 3.16Å |
| 167 | V | 98.8 | Very high | 98.5 | Very high | 6 Ų | 6 | 41.6 Ų | 41.6 | 4% | 0.036 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -49.4 | -174.7 | 174.3 | 0 | 0 | 0 | 0 | 110.2 | L21 V24 F25 C159 K164 E165 E169 V170 F171 | L21-V167 HydrophobicContact CD1-CB 4.32Å; L21-V167 HydrophobicContact CD1-CG1 3.93Å; L21-V167 HydrophobicContact CD1-CG2 3.83Å; V24-V167 HydrophobicContact CG1-CG1 4.29Å; V24-V167 HydrophobicContact CG1-CG2 4.3Å; F25-V167 HydrophobicContact CB-CG1 3.93Å; C159-V167 HydrophobicContact CB-CG2 4.44Å; K164-V167 PolarHBondContact O-N 3.23Å; E165-V167 PolarHBondContact O-N 3.31Å; E165-V167 VanDerWaalsContact O-N 3.1Å; V167-E169 VanDerWaalsContact C-N 3.31Å; V167-E169 PolarHBondContact O-N 3.46Å; V167-V170 WeakPolarHBondContact O-CB 3.36Å; V167-V170 PolarHBondContact O-N 2.97Å; V167-F171 HydrophobicContact CG1-CD2 4.14Å; V167-F171 HydrophobicContact CG1-CE2 3.98Å; V167-F171 VanDerWaalsContact O-CD2 3.23Å; V167-F171 WeakPolarHBondContact O-CD2 3.41Å; V167-F171 PolarHBondContact O-N 2.55Å |
| 168 | R | 97.9 | Very high | 98.4 | Very high | 163 Ų | 163 | 39.6 Ų | 39.6 | 62% | 0.615 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -60.7 | -42.9 | -178.3 | -177.5 | 173 | 174.1 | 162.5 | 2.9 | 111.4 | V170 F171 E172 | R168-V170 VanDerWaalsContact C-N 3.3Å; R168-V170 PolarHBondContact O-N 3.09Å; R168-F171 PolarHBondContact O-N 3.35Å; R168-F171 VanDerWaalsContact O-N 3.17Å; R168-E172 HydrophobicContact CG-CG 4.17Å; R168-E172 IonicContact CZ-OE1 2.86Å; R168-E172 IonicContact NE-OE1 3.26Å; R168-E172 PolarHBondContact NE-OE1 2.67Å; R168-E172 IonicContact NH2-OE1 2.94Å; R168-E172 PolarHBondContact NH2-OE1 3.23Å; R168-E172 WeakPolarHBondContact O-CG 3.41Å; R168-E172 PolarHBondContact O-N 3.18Å |
| 169 | E | 98.7 | Very high | 98.3 | Very high | 94 Ų | 94 | 40.1 Ų | 40.1 | 44% | 0.439 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.1 | -35.9 | -179.9 | -64.9 | 79.4 | 178.5 | 0 | 0 | 112.2 | G166 V167 T173 | G166-E169 WeakPolarHBondContact CA-OE2 3.2Å; G166-E169 PolarHBondContact O-N 3.29Å; V167-E169 VanDerWaalsContact C-N 3.31Å; V167-E169 PolarHBondContact O-N 3.46Å; E169-T173 VanDerWaalsContact O-CB 3.24Å; E169-T173 WeakPolarHBondContact O-CB 3.38Å; E169-T173 PolarHBondContact O-N 3.07Å; E169-T173 PolarHBondContact O-OG1 2.95Å |
| 170 | V | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.5 | -51.2 | 172.8 | 168.4 | 0 | 0 | 0 | 0 | 110.8 | L81 V115 L157 C159 G166 V167 R168 T173 A174 | L81-V170 HydrophobicContact CD1-CG1 3.84Å; L81-V170 HydrophobicContact CD2-CG1 3.86Å; V115-V170 HydrophobicContact CG1-CG2 4.12Å; V115-V170 HydrophobicContact CG2-CG1 3.83Å; V115-V170 HydrophobicContact CG2-CG2 4.35Å; L157-V170 HydrophobicContact CB-CG2 3.83Å; L157-V170 HydrophobicContact CD1-CB 4.44Å; L157-V170 HydrophobicContact CD1-CG2 4.08Å; C159-V170 HydrophobicContact CB-CG2 4.13Å; G166-V170 WeakPolarHBondContact O-CG2 3.25Å; G166-V170 PolarHBondContact O-N 3.13Å; G166-V170 VanDerWaalsContact O-N 3.16Å; V167-V170 WeakPolarHBondContact O-CB 3.36Å; V167-V170 PolarHBondContact O-N 2.97Å; R168-V170 VanDerWaalsContact C-N 3.3Å; R168-V170 PolarHBondContact O-N 3.09Å; V170-T173 PolarHBondContact O-N 3.19Å; V170-A174 WeakPolarHBondContact O-CB 3.3Å; V170-A174 PolarHBondContact O-N 3.28Å |
| 171 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.1 | -33.1 | -176.9 | -70 | -84.8 | 0 | 0 | 0 | 113 | L8 L21 L22 F25 I46 L55 L57 L81 V167 R168 T175 | L8-F171 HydrophobicContact CD1-CD1 3.95Å; L8-F171 HydrophobicContact CD1-CE1 4.08Å; L21-F171 HydrophobicContact CD1-CE2 4.14Å; L21-F171 HydrophobicContact CG-CE2 4.03Å; L21-F171 HydrophobicContact CG-CZ 4.17Å; L22-F171 HydrophobicContact CD2-CE1 3.88Å; L22-F171 HydrophobicContact CD2-CZ 3.86Å; F25-F171 HydrophobicContact CB-CD2 3.6Å; F25-F171 HydrophobicContact CB-CE1 4.37Å; F25-F171 HydrophobicContact CB-CE2 3.29Å; F25-F171 HydrophobicContact CB-CG 4.3Å; F25-F171 HydrophobicContact CB-CZ 3.71Å; F25-F171 HydrophobicContact CD1-CB 4.36Å; F25-F171 AromaticContact CD1-CD1 3.48Å; F25-F171 HydrophobicContact CD1-CD1 3.48Å; F25-F171 VanDerWaalsContact CD1-CD1 3.48Å; F25-F171 AromaticContact CD1-CD2 3.81Å; F25-F171 HydrophobicContact CD1-CD2 3.81Å; F25-F171 AromaticContact CD1-CE1 3.6Å; F25-F171 HydrophobicContact CD1-CE1 3.6Å; F25-F171 AromaticContact CD1-CE2 3.95Å; F25-F171 HydrophobicContact CD1-CE2 3.95Å; F25-F171 AromaticContact CD1-CG 3.6Å; F25-F171 HydrophobicContact CD1-CG 3.6Å; F25-F171 AromaticContact CD1-CZ 3.84Å; F25-F171 HydrophobicContact CD1-CZ 3.84Å; F25-F171 HydrophobicContact CD2-CB 3.82Å; F25-F171 HydrophobicContact CD2-CD1 4.34Å; F25-F171 AromaticContact CD2-CD2 3.39Å; F25-F171 HydrophobicContact CD2-CD2 3.39Å; F25-F171 HydrophobicContact CD2-CE2 4.05Å; F25-F171 AromaticContact CD2-CG 3.58Å; F25-F171 HydrophobicContact CD2-CG 3.58Å; F25-F171 HydrophobicContact CE1-CB 4.03Å; F25-F171 AromaticContact CE1-CD1 3.55Å; F25-F171 HydrophobicContact CE1-CD1 3.55Å; F25-F171 HydrophobicContact CE1-CD2 4.33Å; F25-F171 HydrophobicContact CE1-CE1 4.08Å; F25-F171 AromaticContact CE1-CG 3.7Å; F25-F171 HydrophobicContact CE1-CG 3.7Å; F25-F171 HydrophobicContact CE2-CB 3.47Å; F25-F171 VanDerWaalsContact CE2-CB 3.47Å; F25-F171 HydrophobicContact CE2-CD1 4.41Å; F25-F171 AromaticContact CE2-CD2 3.99Å; F25-F171 HydrophobicContact CE2-CD2 3.99Å; F25-F171 AromaticContact CE2-CG 3.7Å; F25-F171 HydrophobicContact CE2-CG 3.7Å; F25-F171 HydrophobicContact CG-CB 4.26Å; F25-F171 AromaticContact CG-CD1 3.9Å; F25-F171 HydrophobicContact CG-CD1 3.9Å; F25-F171 AromaticContact CG-CD2 3.29Å; F25-F171 HydrophobicContact CG-CD2 3.29Å; F25-F171 HydrophobicContact CG-CE1 4.04Å; F25-F171 AromaticContact CG-CE2 3.49Å; F25-F171 HydrophobicContact CG-CE2 3.49Å; F25-F171 VanDerWaalsContact CG-CE2 3.49Å; F25-F171 AromaticContact CG-CG 3.53Å; F25-F171 HydrophobicContact CG-CG 3.53Å; F25-F171 AromaticContact CG-CZ 3.85Å; F25-F171 HydrophobicContact CG-CZ 3.85Å; F25-F171 HydrophobicContact CZ-CB 3.59Å; F25-F171 HydrophobicContact CZ-CD1 4.04Å; F25-F171 HydrophobicContact CZ-CD2 4.42Å; F25-F171 AromaticContact CZ-CG 3.76Å; F25-F171 HydrophobicContact CZ-CG 3.76Å; I46-F171 HydrophobicContact CD1-CB 4.11Å; L55-F171 HydrophobicContact CD1-CD1 4.32Å; L57-F171 HydrophobicContact CD2-CD1 4.34Å; L57-F171 HydrophobicContact CD2-CE1 4.02Å; L81-F171 HydrophobicContact CD1-CD1 4.44Å; L81-F171 HydrophobicContact CD1-CE1 3.88Å; L81-F171 HydrophobicContact CD1-CZ 4.05Å; V167-F171 HydrophobicContact CG1-CD2 4.14Å; V167-F171 HydrophobicContact CG1-CE2 3.98Å; V167-F171 VanDerWaalsContact O-CD2 3.23Å; V167-F171 WeakPolarHBondContact O-CD2 3.41Å; V167-F171 PolarHBondContact O-N 2.55Å; R168-F171 PolarHBondContact O-N 3.35Å; R168-F171 VanDerWaalsContact O-N 3.17Å; F171-T175 VanDerWaalsContact O-CB 3.22Å; F171-T175 WeakPolarHBondContact O-CB 3.45Å; F171-T175 PolarHBondContact O-N 2.84Å; F171-T175 PolarHBondContact O-OG1 3.46Å |
| 172 | E | 98.6 | Very high | 95.5 | Very high | 44 Ų | 44 | 57.5 Ų | 57.5 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.3 | -44.5 | 171.7 | -72.5 | -176 | 175.5 | 0 | 0 | 111.2 | I46 V48 R168 T175 R176 | I46-E172 HydrophobicContact CD1-CG 3.76Å; V48-E172 HydrophobicContact CG2-CB 4.31Å; V48-E172 HydrophobicContact CG2-CG 4.17Å; R168-E172 HydrophobicContact CG-CG 4.17Å; R168-E172 IonicContact CZ-OE1 2.86Å; R168-E172 IonicContact NE-OE1 3.26Å; R168-E172 PolarHBondContact NE-OE1 2.67Å; R168-E172 IonicContact NH2-OE1 2.94Å; R168-E172 PolarHBondContact NH2-OE1 3.23Å; R168-E172 WeakPolarHBondContact O-CG 3.41Å; R168-E172 PolarHBondContact O-N 3.18Å; E172-T175 PolarHBondContact O-N 2.9Å; E172-R176 WeakPolarHBondContact O-CB 3.38Å; E172-R176 PolarHBondContact O-N 2.95Å |
| 173 | T | 98.8 | Very high | 93.8 | Very high | 24 Ų | 24 | 58 Ų | 58 | 15% | 0.147 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66 | -44 | 177.9 | -59 | 0 | 0 | 0 | 0 | 111.7 | I113 Y154 A155 L157 E169 V170 T175 R176 A177 | I113-T173 HydrophobicContact CD1-CG2 4.19Å; Y154-T173 HydrophobicContact CD1-CG2 4.33Å; Y154-T173 HydrophobicContact CE1-CG2 4.11Å; A155-T173 HydrophobicContact CB-CG2 3.8Å; L157-T173 HydrophobicContact CD1-CG2 3.97Å; E169-T173 VanDerWaalsContact O-CB 3.24Å; E169-T173 WeakPolarHBondContact O-CB 3.38Å; E169-T173 PolarHBondContact O-N 3.07Å; E169-T173 PolarHBondContact O-OG1 2.95Å; V170-T173 PolarHBondContact O-N 3.19Å; T173-T175 VanDerWaalsContact C-N 3.35Å; T173-T175 PolarHBondContact O-N 3.22Å; T173-R176 PolarHBondContact O-N 3.22Å; T173-A177 PolarHBondContact O-N 3.18Å |
| 174 | A | 98.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L8 V79 L81 I113 V170 A177 A178 | L8-A174 HydrophobicContact CD1-CB 3.92Å; V79-A174 HydrophobicContact CG1-CB 4.22Å; V79-A174 HydrophobicContact CG2-CB 4.01Å; L81-A174 HydrophobicContact CD2-CB 3.78Å; I113-A174 HydrophobicContact CG1-CB 3.93Å; V170-A174 WeakPolarHBondContact O-CB 3.3Å; V170-A174 PolarHBondContact O-N 3.28Å; A174-A177 PolarHBondContact O-N 3.28Å; A174-A178 WeakPolarHBondContact O-CB 3.42Å; A174-A178 PolarHBondContact O-N 3.46Å |
| 175 | T | 98.4 | Very high | 89.4 | Confident | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 177.4 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | I46 V48 V53 L55 F171 E172 T173 A177 A178 L179 | I46-T175 HydrophobicContact CG2-CG2 4.06Å; V48-T175 HydrophobicContact CB-CG2 4Å; V48-T175 HydrophobicContact CG2-CG2 3.69Å; V53-T175 HydrophobicContact CB-CG2 3.98Å; V53-T175 HydrophobicContact CG1-CG2 4.01Å; V53-T175 HydrophobicContact CG2-CG2 3.82Å; L55-T175 WeakPolarHBondContact CD1-OG1 3.47Å; F171-T175 VanDerWaalsContact O-CB 3.22Å; F171-T175 WeakPolarHBondContact O-CB 3.45Å; F171-T175 PolarHBondContact O-N 2.84Å; F171-T175 PolarHBondContact O-OG1 3.46Å; E172-T175 PolarHBondContact O-N 2.9Å; T173-T175 VanDerWaalsContact C-N 3.35Å; T173-T175 PolarHBondContact O-N 3.22Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 2.91Å; T175-A178 WeakPolarHBondContact O-CB 3.44Å; T175-A178 PolarHBondContact O-N 3.02Å; T175-L179 HydrophobicContact CG2-CD1 3.96Å; T175-L179 HydrophobicContact CG2-CG 4.36Å; T175-L179 WeakPolarHBondContact O-CB 3.25Å; T175-L179 VanDerWaalsContact O-CG 3.24Å; T175-L179 WeakPolarHBondContact O-CG 3.32Å; T175-L179 PolarHBondContact O-N 3.2Å |
| 176 | R | 97.9 | Very high | 87.2 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 26% | 0.26 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.3 | -45 | 175.5 | -171 | 174.1 | -65.2 | 105.9 | -1 | 111.5 | V48 D49 E172 T173 L179 Q180 | V48-R176 HydrophobicContact CG1-CB 4.18Å; D49-R176 IonicContact OD1-CZ 3.88Å; D49-R176 IonicContact OD1-NE 2.7Å; D49-R176 PolarHBondContact OD1-NE 3.39Å; D49-R176 IonicContact OD1-NH2 2.7Å; D49-R176 PolarHBondContact OD1-NH2 3.09Å; D49-R176 IonicContact OD2-CZ 3.42Å; D49-R176 IonicContact OD2-NE 2.87Å; D49-R176 PolarHBondContact OD2-NE 2.76Å; D49-R176 IonicContact OD2-NH2 2.99Å; E172-R176 WeakPolarHBondContact O-CB 3.38Å; E172-R176 PolarHBondContact O-N 2.95Å; T173-R176 PolarHBondContact O-N 3.22Å; R176-L179 PolarHBondContact O-N 3.23Å; R176-Q180 WeakPolarHBondContact O-CG 3.4Å; R176-Q180 PolarHBondContact O-N 2.84Å |
| 177 | A | 98.3 | Very high | 85.1 | Confident | 2 Ų | 2 | 80.3 Ų | 80.3 | 2% | 0.017 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61 | -46.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V79 P111 I113 Y154 T173 A174 T175 L179 Q180 | V79-A177 HydrophobicContact CG2-CB 4.41Å; P111-A177 HydrophobicContact CB-CB 3.97Å; P111-A177 HydrophobicContact CG-CB 3.96Å; I113-A177 HydrophobicContact CD1-CB 4.1Å; Y154-A177 HydrophobicContact CD1-CB 3.8Å; Y154-A177 HydrophobicContact CD2-CB 4.11Å; Y154-A177 HydrophobicContact CE1-CB 3.84Å; Y154-A177 HydrophobicContact CE2-CB 4.12Å; Y154-A177 HydrophobicContact CG-CB 3.96Å; T173-A177 PolarHBondContact O-N 3.18Å; A174-A177 PolarHBondContact O-N 3.28Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 2.91Å; A177-L179 VanDerWaalsContact C-N 3.29Å; A177-L179 PolarHBondContact O-N 3.13Å; A177-Q180 PolarHBondContact O-N 3.06Å |
| 178 | A | 97.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 90.9 Ų | 90.9 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.8 | -36.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K6 D78 V79 A174 T175 Q180 | K6-A178 HydrophobicContact CB-CB 4.29Å; K6-A178 HydrophobicContact CD-CB 4.04Å; K6-A178 WeakPolarHBondContact CE-O 3.25Å; K6-A178 HydrophobicContact CG-CB 4.11Å; K6-A178 PolarHBondContact NZ-O 3.04Å; D78-A178 HydrophobicContact CB-CB 3.98Å; V79-A178 HydrophobicContact CB-CB 3.93Å; V79-A178 HydrophobicContact CG1-CB 3.87Å; A174-A178 WeakPolarHBondContact O-CB 3.42Å; A174-A178 PolarHBondContact O-N 3.46Å; T175-A178 WeakPolarHBondContact O-CB 3.44Å; T175-A178 PolarHBondContact O-N 3.02Å; A178-Q180 VanDerWaalsContact C-N 3.34Å |
| 179 | L | 96 | Very high | 80.3 | Confident | 37 Ų | 37 | 88.7 Ų | 88.7 | 19% | 0.194 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.8 | -25 | 179.4 | -72.6 | 168.6 | 0 | 0 | 0 | 113.5 | I4 K51 V53 T175 R176 A177 | I4-L179 HydrophobicContact CD1-CD2 4.43Å; I4-L179 HydrophobicContact CG2-CD2 3.69Å; K51-L179 HydrophobicContact CD-CD1 4.21Å; K51-L179 HydrophobicContact CD-CD2 4.49Å; V53-L179 HydrophobicContact CG2-CD1 4.05Å; V53-L179 HydrophobicContact CG2-CD2 4Å; V53-L179 HydrophobicContact CG2-CG 4.38Å; T175-L179 HydrophobicContact CG2-CD1 3.96Å; T175-L179 HydrophobicContact CG2-CG 4.36Å; T175-L179 WeakPolarHBondContact O-CB 3.25Å; T175-L179 VanDerWaalsContact O-CG 3.24Å; T175-L179 WeakPolarHBondContact O-CG 3.32Å; T175-L179 PolarHBondContact O-N 3.2Å; R176-L179 PolarHBondContact O-N 3.23Å; A177-L179 VanDerWaalsContact C-N 3.29Å; A177-L179 PolarHBondContact O-N 3.13Å |
| 180 | Q | 90.6 | Very high | 78 | Confident | 119 Ų | 119 | 90.8 Ų | 90.8 | 56% | 0.556 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -78.6 | -21.9 | 178.1 | -69.7 | 176.2 | 4.4 | 0 | 0 | 112.9 | Y154 R176 A177 A178 K182 | Y154-Q180 PolarHBondContact OH-NE2 3.23Å; Y154-Q180 PolarHBondContact OH-OE1 3.41Å; R176-Q180 WeakPolarHBondContact O-CG 3.4Å; R176-Q180 PolarHBondContact O-N 2.84Å; A177-Q180 PolarHBondContact O-N 3.06Å; A178-Q180 VanDerWaalsContact C-N 3.34Å; Q180-K182 PolarHBondContact O-N 2.91Å; Q180-K182 VanDerWaalsContact O-N 3.11Å |
| 181 | V | 80.3 | Confident | 75.6 | Confident | 52 Ų | 52 | 98.4 Ų | 98.4 | 32% | 0.315 | 46% | 0.462 | S | S | . | . | trans | -70.2 | 108.2 | 178.4 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | P111 K183 | P111-V181 HydrophobicContact CG-CG2 3.86Å; V181-K183 PolarHBondContact O-N 3.08Å | ||
| 182 | K | 66.7 | Low | 73.3 | Confident | 196 Ų | 196 | 107.8 Ų | 107.8 | 85% | 0.852 | 52% | 0.519 | S | S | * | . | trans | -71.9 | 112.4 | 168.8 | -66.6 | -176.2 | -178.5 | 177.8 | 0 | 108.6 | Q180 K184 | Q180-K182 PolarHBondContact O-N 2.91Å; Q180-K182 VanDerWaalsContact O-N 3.11Å; K182-K184 PolarHBondContact O-N 3.3Å | ||
| 183 | K | 61.2 | Low | 72 | Confident | 140 Ų | 140 | 111 Ų | 111 | 61% | 0.609 | 53% | 0.534 | S | S | * | . | P | Polyproline II helix | trans | -57 | 126.8 | 172.5 | -70.9 | -168.4 | 175.3 | -173.3 | 0 | 109 | D78 V181 K185 | D78-K183 WeakPolarHBondContact OD1-CE 3.19Å; D78-K183 IonicContact OD1-NZ 2.9Å; D78-K183 IonicContact OD2-NZ 3.63Å; V181-K183 PolarHBondContact O-N 3.08Å; K183-K185 PolarHBondContact O-N 2.8Å |
| 184 | K | 57.7 | Low | 70.6 | Confident | 185 Ų | 185 | 115.5 Ų | 115.5 | 80% | 0.804 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130.1 | 166.8 | -76.1 | -179 | 178.3 | 173.6 | 0 | 107.1 | K182 | K182-K184 PolarHBondContact O-N 3.3Š|
| 185 | K | 47 | Very low | 69 | Low | 194 Ų | 194 | 121.9 Ų | 121.9 | 84% | 0.843 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 136.8 | 170.5 | -79.8 | -178.4 | 175.9 | 177.9 | 0 | 108 | K183 R187 | K183-K185 PolarHBondContact O-N 2.8Å; K185-R187 PolarHBondContact O-N 3.23Å; K185-R187 VanDerWaalsContact O-N 3.17Å |
| 186 | P | 52.7 | Low | 67.3 | Low | 120 Ų | 120 | 129.1 Ų | 129.1 | 78% | 0.779 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 128.2 | 173.8 | 20.9 | -30.3 | 0 | 0 | 0 | 107.8 | R188 | P186-R188 PolarHBondContact O-N 3.37Š|
| 187 | R | 53.1 | Low | 65.4 | Low | 241 Ų | 241 | 132.9 Ų | 132.9 | 91% | 0.909 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -57 | 118.5 | 167 | -77 | -175.1 | 169.2 | -177.7 | -3 | 105 | K185 C189 | K185-R187 PolarHBondContact O-N 3.23Å; K185-R187 VanDerWaalsContact O-N 3.17Å; R187-C189 PolarHBondContact O-N 3.26Å |
| 188 | R | 49.4 | Very low | 63.2 | Low | 229 Ų | 229 | 141.6 Ų | 141.6 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | trans | -52.9 | 111.4 | 168.5 | -79.9 | -177.1 | 173.3 | -178.6 | -2.6 | 105.6 | P186 N190 | P186-R188 PolarHBondContact O-N 3.37Å; R188-N190 VanDerWaalsContact C-N 3.31Å; R188-N190 PolarHBondContact O-N 3.17Å | ||
| 189 | C | 46.8 | Very low | 60.8 | Low | 117 Ų | 117 | 151.7 Ų | 151.7 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -66.9 | 100.8 | 170.8 | -134.5 | 0 | 0 | 0 | 0 | 104.9 | R187 I191 | R187-C189 PolarHBondContact O-N 3.26Å; C189-I191 PolarHBondContact O-N 3.13Å | ||
| 190 | N | 51.4 | Low | 58 | Low | 137 Ų | 137 | 160.5 Ų | 160.5 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -72.6 | 92.8 | 166.5 | -70.6 | -16.9 | 0 | 0 | 0 | 105.3 | R188 V192 | R188-N190 VanDerWaalsContact C-N 3.31Å; R188-N190 PolarHBondContact O-N 3.17Å; N190-V192 PolarHBondContact O-N 2.94Å | ||
| 191 | I | 48.8 | Very low | 55.3 | Low | 160 Ų | 160 | 164 Ų | 164 | 82% | 0.821 | 79% | 0.793 | S | S | * | * | trans | -68.9 | 110.8 | 162.1 | -54.9 | 174.6 | 0 | 0 | 0 | 104.5 | C189 | C189-I191 PolarHBondContact O-N 3.13Š| ||
| 192 | V | 48.9 | Very low | 53.1 | Low | 197 Ų | 197 | 174.2 Ų | 174.2 | 100% | 1.194 | 84% | 0.836 | S | S | * | * | trans | -110.7 | 0 | 162.8 | -179.1 | 0 | 0 | 0 | 0 | 106.3 | N190 | N190-V192 PolarHBondContact O-N 2.94Š|
Retrieved 192 of 192 residues in 142.1 ms
(Link to these results)