| 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 | 51.8 | Low | 88.1 | Confident | 245 Ų | 245 | 57.5 Ų | 57.5 | 100% | 1.207 | 32% | 0.317 | S | S | * | . | 0 | 137 | 0 | -69.3 | 177.5 | -155.4 | 0 | 0 | 107.3 | |||||
| 2 | A | 63 | Low | 89 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 82% | 0.818 | 29% | 0.29 | S | S | * | . | trans | -64.9 | 135 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 3 | A | 75.5 | Confident | 89.7 | Confident | 63 Ų | 63 | 50.8 Ų | 50.8 | 52% | 0.521 | 28% | 0.279 | S | S | . | . | trans | -59.3 | 140.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | R5 | A3-R5 PolarHBondContact O-N 3.23Š| ||
| 4 | I | 93.9 | Very high | 90.1 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 114.8 | 176.1 | -63 | 170 | 0 | 0 | 0 | 106.9 | K6 K51 Q52 V53 E54 L179 | I4-K6 HydrophobicContact CG2-CG 4.33Å; I4-K51 HydrophobicContact CD1-CB 4.35Å; I4-K51 HydrophobicContact CD1-CD 4.12Å; I4-Q52 PolarHBondContact N-O 3.26Å; I4-V53 HydrophobicContact CB-CG2 4.34Å; I4-V53 CarbonylContact O-C 3.51Å; I4-V53 WeakPolarHBondContact O-CA 3.44Å; I4-V53 VanDerWaalsContact O-CG1 3.31Å; I4-V53 WeakPolarHBondContact O-CG1 3.44Å; I4-E54 PolarHBondContact O-N 3.2Å; I4-L179 HydrophobicContact CD1-CD2 4.24Å; I4-L179 HydrophobicContact CG2-CD2 3.9Å |
| 5 | R | 95.8 | Very high | 90.4 | Very high | 148 Ų | 148 | 50 Ų | 50 | 56% | 0.558 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 138.2 | 175.6 | -162.3 | 172.4 | -167.1 | -161.2 | -5.6 | 111.5 | A3 E54 | A3-R5 PolarHBondContact O-N 3.23Å; R5-E54 CarbonylContact C-O 3.59Å; R5-E54 WeakPolarHBondContact CA-O 3.27Å; R5-E54 VanDerWaalsContact CD-OE1 3.28Å; R5-E54 WeakPolarHBondContact CD-OE1 3.43Å; R5-E54 HydrophobicContact CG-CB 4.5Å; R5-E54 WeakPolarHBondContact CG-OE1 3.34Å; R5-E54 IonicContact CZ-OE1 2.7Å; R5-E54 IonicContact NE-OE1 3.4Å; R5-E54 PolarHBondContact NE-OE1 2.91Å; R5-E54 IonicContact NH2-OE1 3.26Å |
| 6 | K | 97.4 | Very high | 90.9 | Very high | 2 Ų | 2 | 47.1 Ų | 47.1 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 135.4 | 178.1 | -73.3 | -57.7 | -165.3 | 171.1 | 0 | 111.9 | I4 V53 E54 L55 A56 D78 A178 | I4-K6 HydrophobicContact CG2-CG 4.33Å; K6-V53 HydrophobicContact CB-CG1 3.99Å; K6-V53 HydrophobicContact CG-CG1 3.79Å; K6-E54 PolarHBondContact N-O 2.94Å; K6-L55 HydrophobicContact CB-CD2 3.86Å; K6-L55 WeakPolarHBondContact O-CA 3.22Å; K6-A56 PolarHBondContact O-N 3.15Å; K6-D78 WeakPolarHBondContact CA-OD2 3.38Å; K6-D78 HydrophobicContact CD-CB 3.79Å; K6-D78 VanDerWaalsContact CD-CG 3.4Å; K6-D78 VanDerWaalsContact CD-OD2 3.28Å; K6-D78 WeakPolarHBondContact CD-OD2 3.44Å; K6-D78 IonicContact NZ-OD1 3.63Å; K6-D78 PolarHBondContact NZ-OD1 3.45Å; K6-D78 IonicContact NZ-OD2 3.89Å; K6-A178 HydrophobicContact CD-CB 4Å; K6-A178 VanDerWaalsContact CE-O 3.24Å; K6-A178 WeakPolarHBondContact CE-O 3.33Å; K6-A178 HydrophobicContact CG-CB 4.17Å; K6-A178 PolarHBondContact NZ-O 3.26Å |
| 7 | K | 97.8 | Very high | 91.2 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 11% | 0.109 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 122.7 | 174.7 | 178 | 169.7 | 171.8 | 171.7 | 0 | 110.8 | V9 W58 S73 P75 D78 V79 | K7-V9 HydrophobicContact CG-CG2 4.4Å; K7-W58 HydrophobicContact CD-CZ2 4.5Å; K7-W58 VanDerWaalsContact CE-CE2 3.48Å; K7-S73 WeakPolarHBondContact CE-O 3.48Å; K7-S73 PolarHBondContact NZ-O 2.79Å; K7-P75 WeakPolarHBondContact CE-O 3.5Å; K7-P75 PolarHBondContact NZ-O 3.44Å; K7-D78 PolarHBondContact N-OD2 3.39Å; K7-D78 WeakPolarHBondContact O-CB 3.44Å; K7-D78 PolarHBondContact O-N 3.49Å; K7-V79 PolarHBondContact O-N 2.65Å |
| 8 | L | 98.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 125.9 | 174.3 | 179.9 | 159.1 | 0 | 0 | 0 | 108.6 | L22 A56 L57 W58 V79 L81 F171 A174 | L8-L22 HydrophobicContact CD2-CD2 4.46Å; L8-A56 PolarHBondContact N-O 3.11Å; L8-L57 HydrophobicContact CB-CD2 4.15Å; L8-L57 HydrophobicContact CD1-CD2 4.23Å; L8-L57 HydrophobicContact CD2-CD2 4.11Å; L8-L57 HydrophobicContact CG-CD2 4.41Å; L8-W58 PolarHBondContact O-N 3.3Å; L8-V79 WeakPolarHBondContact CA-O 3.3Å; L8-V79 HydrophobicContact CB-CG1 3.89Å; L8-V79 HydrophobicContact CD1-CG1 4.09Å; L8-V79 HydrophobicContact CG-CG1 3.95Å; L8-L81 HydrophobicContact CD1-CD1 4.05Å; L8-L81 HydrophobicContact CD1-CG 3.97Å; L8-L81 HydrophobicContact CD2-CB 4.47Å; L8-L81 HydrophobicContact CD2-CD1 3.92Å; L8-L81 HydrophobicContact CD2-CG 3.88Å; L8-L81 HydrophobicContact CG-CD1 4.45Å; L8-L81 HydrophobicContact CG-CG 4.11Å; L8-F171 HydrophobicContact CD1-CD1 4Å; L8-F171 HydrophobicContact CD1-CE1 4.22Å; L8-A174 HydrophobicContact CD1-CB 3.9Å |
| 9 | V | 98.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 133.3 | 172.9 | 177.4 | 0 | 0 | 0 | 0 | 108.8 | K7 V11 W58 T60 S73 Y74 T77 V79 I80 L81 | K7-V9 HydrophobicContact CG-CG2 4.4Å; V9-V11 HydrophobicContact CG1-CG1 4.15Å; V9-W58 HydrophobicContact CB-CB 4.34Å; V9-W58 HydrophobicContact CG1-CB 4.49Å; V9-W58 HydrophobicContact CG2-CB 3.8Å; V9-W58 HydrophobicContact CG2-CG 4.16Å; V9-T60 HydrophobicContact CG1-CG2 3.92Å; V9-S73 WeakPolarHBondContact CG2-O 3.37Å; V9-Y74 HydrophobicContact CG1-CD1 4.09Å; V9-Y74 HydrophobicContact CG1-CE1 3.94Å; V9-T77 HydrophobicContact CB-CG2 4.06Å; V9-T77 HydrophobicContact CG2-CG2 3.81Å; V9-T77 VanDerWaalsContact CG2-OG1 3.23Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.38Å; V9-V79 PolarHBondContact N-O 3.18Å; V9-I80 HydrophobicContact CB-CD1 3.92Å; V9-I80 HydrophobicContact CG1-CD1 4.3Å; V9-I80 WeakPolarHBondContact O-CA 3.4Å; V9-L81 PolarHBondContact O-N 3.23Å |
| 10 | I | 98.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135.6 | 175.2 | -167.2 | 164.5 | 0 | 0 | 0 | 109.9 | K18 L21 L22 W58 D59 T60 L81 C83 | I10-K18 HydrophobicContact CD1-CB 3.76Å; I10-K18 HydrophobicContact CD1-CG 4.1Å; I10-K18 HydrophobicContact CG1-CB 3.97Å; I10-K18 HydrophobicContact CG1-CD 4.07Å; I10-K18 HydrophobicContact CG1-CG 3.94Å; I10-K18 HydrophobicContact CG2-CB 4.16Å; I10-K18 HydrophobicContact CG2-CD 4.46Å; I10-L21 HydrophobicContact CD1-CD2 4.07Å; I10-L22 HydrophobicContact CD1-CD2 4.16Å; I10-L22 HydrophobicContact CD1-CG 4.27Å; I10-L22 HydrophobicContact CG2-CD1 3.67Å; I10-L22 HydrophobicContact CG2-CD2 4.38Å; I10-L22 HydrophobicContact CG2-CG 4.17Å; I10-W58 WeakPolarHBondContact CG2-O 3.41Å; I10-W58 PolarHBondContact N-O 3.43Å; I10-W58 VanDerWaalsContact N-O 3.13Å; I10-D59 WeakPolarHBondContact CG2-OD1 3.24Å; I10-T60 WeakPolarHBondContact O-CG2 3.41Å; I10-T60 PolarHBondContact O-OG1 2.9Å; I10-L81 CarbonylContact C-O 3.58Å; I10-L81 WeakPolarHBondContact CA-O 3.41Å; I10-L81 HydrophobicContact CB-CB 4.19Å; I10-L81 HydrophobicContact CD1-CB 4.28Å; I10-L81 HydrophobicContact CD1-CD1 4.26Å; I10-L81 HydrophobicContact CG1-CB 3.85Å; I10-C83 VanDerWaalsContact CD1-SG 3.57Å |
| 11 | V | 98.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 166.1 | 178.8 | -59.3 | 0 | 0 | 0 | 0 | 110.2 | 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 3.87Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.37Å; V11-I80 HydrophobicContact CG2-CG2 4.03Å; V11-L81 PolarHBondContact N-O 3.36Å; V11-M82 HydrophobicContact CG2-CB 4.31Å; V11-M82 HydrophobicContact CG2-CG 4.17Å; V11-C83 PolarHBondContact O-N 3.38Å; V11-W99 HydrophobicContact CB-CE3 3.85Å; V11-W99 HydrophobicContact CB-CZ3 4.03Å; V11-W99 HydrophobicContact CG2-CE3 4.16Å; V11-V103 HydrophobicContact CG2-CG2 3.88Å |
| 12 | G | 98.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 138.6 | 168.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K18 G62 C83 W99 | G12-K18 PolarHBondContact O-NZ 3.05Å; G12-G62 WeakPolarHBondContact O-CA 3.36Å; G12-C83 VanDerWaalsContact CA-O 3.23Å; G12-C83 WeakPolarHBondContact CA-O 3.28Å; G12-W99 WeakPolarHBondContact O-CH2 3.36Å; G12-W99 WeakPolarHBondContact O-CZ2 3.32Å |
| 13 | D | 98.2 | Very high | 96.1 | Very high | 27 Ų | 27 | 24.9 Ų | 24.9 | 14% | 0.144 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -54.9 | 158.7 | -174.4 | -77.6 | 11.8 | 0 | 0 | 0 | 114.3 | C16 K18 S91 N94 W99 | D13-C16 HydrophobicContact CB-CB 4.4Å; D13-C16 PolarHBondContact O-N 3.13Å; D13-C16 PolarHBondContact O-SG 3.42Å; D13-K18 PolarHBondContact O-NZ 3.46Å; D13-S91 WeakPolarHBondContact OD2-CA 3.24Å; D13-S91 WeakPolarHBondContact OD2-CB 3.45Å; D13-N94 PolarHBondContact OD2-ND2 3.42Å; D13-W99 PolarHBondContact OD1-NE1 3.31Å |
| 14 | G | 95.1 | Very high | 97.1 | Very high | 34 Ų | 34 | 22.1 Ų | 22.1 | 35% | 0.351 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 141.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | C16 G62 | G14-C16 PolarHBondContact O-N 3.38Å; G14-G62 PolarHBondContact N-O 3.5Å |
| 15 | A | 94.9 | Very high | 97.2 | Very high | 56 Ų | 56 | 21.5 Ų | 21.5 | 46% | 0.463 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 11.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 117 | G17 Y34 K118 | A15-G17 PolarHBondContact O-N 3.5Å; A15-Y34 HydrophobicContact CB-CE2 4.46Å; A15-K118 WeakPolarHBondContact O-CE 3.23Å; A15-K118 PolarHBondContact O-NZ 3.26Å |
| 16 | C | 97.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 16.1 Ų | 16.1 | 2% | 0.02 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -75.9 | 0.5 | 176.6 | 78.9 | 0 | 0 | 0 | 0 | 114.4 | D13 G14 K18 N117 | D13-C16 HydrophobicContact CB-CB 4.4Å; D13-C16 PolarHBondContact O-N 3.13Å; D13-C16 PolarHBondContact O-SG 3.42Å; G14-C16 PolarHBondContact O-N 3.38Å; C16-K18 VanDerWaalsContact SG-CG 3.59Å; C16-N117 WeakPolarHBondContact O-CB 3.33Å; C16-N117 PolarHBondContact O-ND2 2.84Å |
| 17 | G | 97.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 22.1 Ų | 22.1 | 17% | 0.165 | 13% | 0.134 | C | C | . | . | S | Bend | trans | 98 | 13.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | A15 T19 C20 L21 | A15-G17 PolarHBondContact O-N 3.5Å; G17-T19 PolarHBondContact O-N 3.06Å; G17-C20 PolarHBondContact O-N 3.37Å; G17-L21 PolarHBondContact O-N 3.35Å |
| 18 | K | 97.9 | Very high | 96.5 | Very high | 11 Ų | 11 | 26 Ų | 26 | 5% | 0.048 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -51.8 | -55.6 | 179.3 | -58 | -172.7 | -62.4 | -75.7 | 0 | 113.1 | I10 V11 G12 D13 C16 C20 L21 L22 T60 C83 | I10-K18 HydrophobicContact CD1-CB 3.76Å; I10-K18 HydrophobicContact CD1-CG 4.1Å; I10-K18 HydrophobicContact CG1-CB 3.97Å; I10-K18 HydrophobicContact CG1-CD 4.07Å; I10-K18 HydrophobicContact CG1-CG 3.94Å; I10-K18 HydrophobicContact CG2-CB 4.16Å; I10-K18 HydrophobicContact CG2-CD 4.46Å; V11-K18 VanDerWaalsContact C-CD 3.49Å; G12-K18 PolarHBondContact O-NZ 3.05Å; D13-K18 PolarHBondContact O-NZ 3.46Å; C16-K18 VanDerWaalsContact SG-CG 3.59Å; K18-C20 PolarHBondContact O-N 3.17Å; K18-L21 WeakPolarHBondContact O-CB 3.44Å; K18-L21 PolarHBondContact O-N 3.37Å; K18-L21 VanDerWaalsContact O-N 3.16Å; K18-L22 PolarHBondContact O-N 3.37Å; K18-T60 WeakPolarHBondContact CE-O 3.3Å; K18-C83 HydrophobicContact CG-CB 4.16Å |
| 19 | T | 96.5 | Very high | 96.2 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 20% | 0.196 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | -177.6 | -50.3 | 0 | 0 | 0 | 0 | 111.9 | G17 L21 L22 I23 T37 D59 | G17-T19 PolarHBondContact O-N 3.06Å; T19-L21 VanDerWaalsContact C-N 3.29Å; T19-L21 PolarHBondContact O-N 3.31Å; T19-L22 PolarHBondContact O-N 3.16Å; T19-I23 HydrophobicContact CG2-CD1 3.68Å; T19-I23 HydrophobicContact CG2-CG1 4.28Å; T19-I23 WeakPolarHBondContact O-CB 3.33Å; T19-I23 VanDerWaalsContact O-CG1 3.29Å; T19-I23 WeakPolarHBondContact O-CG1 3.4Å; T19-I23 PolarHBondContact O-N 3.35Å; T19-T37 PolarHBondContact OG1-OG1 2.9Å; T19-D59 WeakPolarHBondContact CA-OD2 3.35Å; T19-D59 VanDerWaalsContact CB-OD2 3.22Å; T19-D59 WeakPolarHBondContact CB-OD2 3.37Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.34Å; T19-D59 PolarHBondContact OG1-OD2 3.28Å |
| 20 | C | 96.8 | Very high | 95.8 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.1 | -40.6 | 175.9 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | G17 K18 V24 F30 P31 A161 | G17-C20 PolarHBondContact O-N 3.37Å; K18-C20 PolarHBondContact O-N 3.17Å; C20-V24 WeakPolarHBondContact O-CB 3.46Å; C20-V24 VanDerWaalsContact O-CG2 3.22Å; C20-V24 WeakPolarHBondContact O-CG2 3.48Å; C20-V24 PolarHBondContact O-N 3.05Å; C20-F30 HydrophobicContact CB-CD2 4.41Å; C20-F30 HydrophobicContact CB-CE2 3.82Å; C20-F30 HydrophobicContact CB-CZ 4.39Å; C20-P31 HydrophobicContact CB-CG 4.32Å; C20-A161 HydrophobicContact CB-CB 3.98Å |
| 21 | L | 98.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 177.2 | 178.3 | 60.3 | 0 | 0 | 0 | 111.7 | I10 G17 K18 T19 F25 L81 V115 V167 V170 F171 | I10-L21 HydrophobicContact CD1-CD2 4.07Å; G17-L21 PolarHBondContact O-N 3.35Å; K18-L21 WeakPolarHBondContact O-CB 3.44Å; K18-L21 PolarHBondContact O-N 3.37Å; K18-L21 VanDerWaalsContact O-N 3.16Å; T19-L21 VanDerWaalsContact C-N 3.29Å; T19-L21 PolarHBondContact O-N 3.31Å; L21-F25 WeakPolarHBondContact O-CB 3.31Å; L21-F25 PolarHBondContact O-N 3.15Å; L21-F25 VanDerWaalsContact O-N 3.13Å; L21-L81 HydrophobicContact CD2-CD1 4.39Å; L21-V115 HydrophobicContact CD2-CG1 4.21Å; L21-V167 HydrophobicContact CD1-CB 4.39Å; L21-V167 HydrophobicContact CD1-CG1 3.99Å; L21-V167 HydrophobicContact CD1-CG2 4.07Å; L21-V170 HydrophobicContact CD2-CG1 4.39Å; L21-F171 HydrophobicContact CD1-CE2 3.89Å; L21-F171 HydrophobicContact CD1-CZ 4.43Å; L21-F171 HydrophobicContact CG-CE2 3.99Å; L21-F171 HydrophobicContact CG-CZ 4.03Å |
| 22 | L | 97 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 178.5 | -64 | -172.9 | 0 | 0 | 0 | 112.6 | L8 I10 K18 T19 F25 S26 Y42 L57 D59 F171 | L8-L22 HydrophobicContact CD2-CD2 4.46Å; I10-L22 HydrophobicContact CD1-CD2 4.16Å; I10-L22 HydrophobicContact CD1-CG 4.27Å; I10-L22 HydrophobicContact CG2-CD1 3.67Å; I10-L22 HydrophobicContact CG2-CD2 4.38Å; I10-L22 HydrophobicContact CG2-CG 4.17Å; K18-L22 PolarHBondContact O-N 3.37Å; T19-L22 PolarHBondContact O-N 3.16Å; L22-F25 PolarHBondContact O-N 2.89Å; L22-S26 WeakPolarHBondContact O-CB 3.41Å; L22-S26 PolarHBondContact O-N 3.06Å; L22-S26 PolarHBondContact O-OG 3.3Å; L22-Y42 HydrophobicContact CB-CD2 4.25Å; L22-Y42 HydrophobicContact CB-CE2 4.29Å; L22-Y42 HydrophobicContact CD1-CD2 4.1Å; L22-Y42 HydrophobicContact CD1-CE2 4.15Å; L22-L57 HydrophobicContact CD1-CB 4.42Å; L22-L57 HydrophobicContact CD2-CB 4.23Å; L22-L57 HydrophobicContact CD2-CD1 4.29Å; L22-L57 HydrophobicContact CD2-CD2 4.5Å; L22-D59 HydrophobicContact CD1-CB 3.54Å; L22-F171 HydrophobicContact CD2-CE1 3.91Å; L22-F171 HydrophobicContact CD2-CZ 3.9Å |
| 23 | I | 94.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 52.5 Ų | 52.5 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.2 | -45.9 | -179.3 | -68.3 | 176.4 | 0 | 0 | 0 | 110.6 | T19 F25 S26 K27 Q29 P31 Y42 | T19-I23 HydrophobicContact CG2-CD1 3.68Å; T19-I23 HydrophobicContact CG2-CG1 4.28Å; T19-I23 WeakPolarHBondContact O-CB 3.33Å; T19-I23 VanDerWaalsContact O-CG1 3.29Å; T19-I23 WeakPolarHBondContact O-CG1 3.4Å; T19-I23 PolarHBondContact O-N 3.35Å; I23-F25 VanDerWaalsContact C-N 3.3Å; I23-F25 PolarHBondContact O-N 3.47Å; I23-S26 PolarHBondContact O-N 2.95Å; I23-S26 PolarHBondContact O-OG 3.23Å; I23-K27 HydrophobicContact CG2-CB 4.49Å; I23-K27 HydrophobicContact CG2-CD 4.33Å; I23-K27 WeakPolarHBondContact O-CB 3.45Å; I23-K27 PolarHBondContact O-N 3.47Å; I23-Q29 WeakPolarHBondContact CG2-O 3.36Å; I23-P31 HydrophobicContact CD1-CB 4.38Å; I23-P31 HydrophobicContact CD1-CG 4.19Å; I23-Y42 HydrophobicContact CG1-CE1 4.49Å |
| 24 | V | 96.8 | Very high | 92.5 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.3 | -39.7 | 179.3 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | C20 D28 Q29 F30 A161 K164 V167 | C20-V24 WeakPolarHBondContact O-CB 3.46Å; C20-V24 VanDerWaalsContact O-CG2 3.22Å; C20-V24 WeakPolarHBondContact O-CG2 3.48Å; C20-V24 PolarHBondContact O-N 3.05Å; V24-D28 WeakPolarHBondContact O-CA 3.49Å; V24-D28 PolarHBondContact O-N 2.97Å; V24-Q29 WeakPolarHBondContact CG2-O 3.46Å; V24-F30 HydrophobicContact CG2-CB 4.09Å; V24-F30 HydrophobicContact CG2-CD2 3.9Å; V24-F30 HydrophobicContact CG2-CG 4.47Å; V24-A161 HydrophobicContact CB-CB 4.38Å; V24-A161 HydrophobicContact CG2-CB 4.05Å; V24-A161 WeakPolarHBondContact CG2-O 3.41Å; V24-K164 HydrophobicContact CG1-CG 3.97Å; V24-V167 HydrophobicContact CG1-CG1 4.29Å; V24-V167 HydrophobicContact CG1-CG2 4.27Å |
| 25 | F | 96.7 | Very high | 91.8 | Very high | 38 Ų | 38 | 61.3 Ų | 61.3 | 17% | 0.167 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 175.7 | 173.9 | -112.9 | 0 | 0 | 0 | 113.1 | L21 L22 I23 A44 I46 L55 L57 V167 F171 | L21-F25 WeakPolarHBondContact O-CB 3.31Å; L21-F25 PolarHBondContact O-N 3.15Å; L21-F25 VanDerWaalsContact O-N 3.13Å; L22-F25 PolarHBondContact O-N 2.89Å; I23-F25 VanDerWaalsContact C-N 3.3Å; I23-F25 PolarHBondContact O-N 3.47Å; F25-A44 HydrophobicContact CD1-CB 3.97Å; F25-A44 HydrophobicContact CE1-CB 3.45Å; F25-A44 VanDerWaalsContact CE1-CB 3.45Å; F25-A44 HydrophobicContact CZ-CB 4.22Å; F25-I46 HydrophobicContact CE2-CD1 4.13Å; F25-I46 HydrophobicContact CZ-CB 4.24Å; F25-I46 HydrophobicContact CZ-CD1 4.06Å; F25-L55 HydrophobicContact CE1-CD1 3.95Å; F25-L55 HydrophobicContact CZ-CD1 4.09Å; F25-L57 HydrophobicContact CD1-CD1 3.86Å; F25-L57 HydrophobicContact CE1-CD1 4.19Å; F25-V167 HydrophobicContact CB-CG1 3.93Å; F25-F171 HydrophobicContact CB-CD2 3.73Å; F25-F171 HydrophobicContact CB-CE1 4.36Å; F25-F171 HydrophobicContact CB-CE2 3.28Å; F25-F171 HydrophobicContact CB-CG 4.47Å; F25-F171 HydrophobicContact CB-CZ 3.62Å; F25-F171 HydrophobicContact CD1-CB 4.49Å; F25-F171 AromaticContact CD1-CD1 3.54Å; F25-F171 HydrophobicContact CD1-CD1 3.54Å; F25-F171 AromaticContact CD1-CD2 3.79Å; F25-F171 HydrophobicContact CD1-CD2 3.79Å; F25-F171 AromaticContact CD1-CE1 3.54Å; F25-F171 HydrophobicContact CD1-CE1 3.54Å; F25-F171 AromaticContact CD1-CE2 3.85Å; F25-F171 HydrophobicContact CD1-CE2 3.85Å; F25-F171 AromaticContact CD1-CG 3.66Å; F25-F171 HydrophobicContact CD1-CG 3.66Å; F25-F171 AromaticContact CD1-CZ 3.7Å; F25-F171 HydrophobicContact CD1-CZ 3.7Å; F25-F171 HydrophobicContact CD2-CB 4.03Å; F25-F171 HydrophobicContact CD2-CD1 4.39Å; F25-F171 AromaticContact CD2-CD2 3.33Å; F25-F171 HydrophobicContact CD2-CD2 3.33Å; F25-F171 AromaticContact CD2-CE2 3.87Å; F25-F171 HydrophobicContact CD2-CE2 3.87Å; F25-F171 AromaticContact CD2-CG 3.66Å; F25-F171 HydrophobicContact CD2-CG 3.66Å; F25-F171 HydrophobicContact CE1-CB 4.08Å; F25-F171 AromaticContact CE1-CD1 3.54Å; F25-F171 HydrophobicContact CE1-CD1 3.54Å; F25-F171 HydrophobicContact CE1-CD2 4.22Å; F25-F171 AromaticContact CE1-CE1 3.99Å; F25-F171 HydrophobicContact CE1-CE1 3.99Å; F25-F171 AromaticContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE2-CB 3.57Å; F25-F171 HydrophobicContact CE2-CD1 4.4Å; F25-F171 AromaticContact CE2-CD2 3.83Å; F25-F171 HydrophobicContact CE2-CD2 3.83Å; F25-F171 AromaticContact CE2-CG 3.68Å; F25-F171 HydrophobicContact CE2-CG 3.68Å; F25-F171 HydrophobicContact CG-CB 4.46Å; F25-F171 AromaticContact CG-CD1 3.98Å; F25-F171 HydrophobicContact CG-CD1 3.98Å; F25-F171 AromaticContact CG-CD2 3.31Å; F25-F171 HydrophobicContact CG-CD2 3.31Å; F25-F171 AromaticContact CG-CE1 4Å; F25-F171 HydrophobicContact CG-CE1 4Å; F25-F171 AromaticContact CG-CE2 3.38Å; F25-F171 HydrophobicContact CG-CE2 3.38Å; F25-F171 AromaticContact CG-CG 3.65Å; F25-F171 HydrophobicContact CG-CG 3.65Å; F25-F171 AromaticContact CG-CZ 3.71Å; F25-F171 HydrophobicContact CG-CZ 3.71Å; F25-F171 HydrophobicContact CZ-CB 3.6Å; F25-F171 HydrophobicContact CZ-CD1 4Å; F25-F171 HydrophobicContact CZ-CD2 4.25Å; F25-F171 AromaticContact CZ-CG 3.69Å; F25-F171 HydrophobicContact CZ-CG 3.69Å |
| 26 | S | 93.1 | Very high | 91 | Very high | 34 Ų | 34 | 62 Ų | 62 | 24% | 0.238 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -84.5 | -29.1 | -174.1 | 56 | 0 | 0 | 0 | 0 | 114.6 | L22 I23 | L22-S26 WeakPolarHBondContact O-CB 3.41Å; L22-S26 PolarHBondContact O-N 3.06Å; L22-S26 PolarHBondContact O-OG 3.3Å; I23-S26 PolarHBondContact O-N 2.95Å; I23-S26 PolarHBondContact O-OG 3.23Å |
| 27 | K | 91.9 | Very high | 90.2 | Very high | 129 Ų | 129 | 62.6 Ų | 62.6 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -123.4 | -4 | -172.1 | -58.1 | -173.9 | -173.7 | 173.7 | 0 | 114.1 | I23 Q29 | I23-K27 HydrophobicContact CG2-CB 4.49Å; I23-K27 HydrophobicContact CG2-CD 4.33Å; I23-K27 WeakPolarHBondContact O-CB 3.45Å; I23-K27 PolarHBondContact O-N 3.47Å; K27-Q29 PolarHBondContact O-N 3.28Å; K27-Q29 VanDerWaalsContact O-N 3.08Å |
| 28 | D | 91.6 | Very high | 89.3 | Confident | 107 Ų | 107 | 65.2 Ų | 65.2 | 57% | 0.572 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 56.5 | 21.4 | -176.9 | -161.4 | 44 | 0 | 0 | 0 | 114.7 | V24 K164 | V24-D28 WeakPolarHBondContact O-CA 3.49Å; V24-D28 PolarHBondContact O-N 2.97Å; D28-K164 WeakPolarHBondContact O-CE 3.43Å; D28-K164 PolarHBondContact O-NZ 3.37Å; D28-K164 WeakPolarHBondContact OD1-CE 3.4Å; D28-K164 IonicContact OD1-NZ 2.63Å; D28-K164 PolarHBondContact OD1-NZ 2.87Å; D28-K164 IonicContact OD2-NZ 3.53Å; D28-K164 PolarHBondContact OD2-NZ 3.03Å |
| 29 | Q | 90.8 | Very high | 88.1 | Confident | 138 Ų | 138 | 68 Ų | 68 | 65% | 0.645 | 35% | 0.351 | S | S | * | . | trans | -127.3 | 134.5 | -178.5 | -171.9 | 176.6 | 31.9 | 0 | 0 | 110.8 | I23 V24 K27 | I23-Q29 WeakPolarHBondContact CG2-O 3.36Å; V24-Q29 WeakPolarHBondContact CG2-O 3.46Å; K27-Q29 PolarHBondContact O-N 3.28Å; K27-Q29 VanDerWaalsContact O-N 3.08Å | ||
| 30 | F | 90.4 | Very high | 87.6 | Confident | 77 Ų | 77 | 71.2 Ų | 71.2 | 34% | 0.338 | 36% | 0.363 | S | S | . | . | trans | -84.3 | 129.6 | 172.8 | -171.2 | -92.4 | 0 | 0 | 0 | 110.1 | C20 V24 E32 A161 K162 | C20-F30 HydrophobicContact CB-CD2 4.41Å; C20-F30 HydrophobicContact CB-CE2 3.82Å; C20-F30 HydrophobicContact CB-CZ 4.39Å; V24-F30 HydrophobicContact CG2-CB 4.09Å; V24-F30 HydrophobicContact CG2-CD2 3.9Å; V24-F30 HydrophobicContact CG2-CG 4.47Å; F30-E32 PolarHBondContact O-N 3.19Å; F30-A161 HydrophobicContact CD2-CB 4.16Å; F30-A161 HydrophobicContact CE2-CB 4.03Å; F30-K162 HydrophobicContact CD2-CB 4.26Å; F30-K162 HydrophobicContact CE2-CB 3.94Å; F30-K162 HydrophobicContact CZ-CB 4.32Å | ||
| 31 | P | 87.3 | Confident | 87 | Confident | 36 Ų | 36 | 74.6 Ų | 74.6 | 23% | 0.234 | 38% | 0.379 | C | S | . | . | trans | -73 | 123.5 | 177.2 | 29.8 | -33.9 | 0 | 0 | 0 | 110.8 | C20 I23 | C20-P31 HydrophobicContact CB-CG 4.32Å; I23-P31 HydrophobicContact CD1-CB 4.38Å; I23-P31 HydrophobicContact CD1-CG 4.19Å | ||
| 32 | E | 83.3 | Confident | 86.6 | Confident | 191 Ų | 191 | 75.7 Ų | 75.7 | 89% | 0.893 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -79.7 | -22 | 178.3 | -64.7 | -170.1 | 170.6 | 0 | 0 | 113.3 | F30 | F30-E32 PolarHBondContact O-N 3.19Š|
| 33 | V | 82.8 | Confident | 86.4 | Confident | 113 Ų | 113 | 80.5 Ų | 80.5 | 69% | 0.685 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -103.7 | 125.4 | -178.6 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | V35 | V33-V35 HydrophobicContact CG1-CG2 4.06Å; V33-V35 PolarHBondContact O-N 3.49Å |
| 34 | Y | 71.6 | Confident | 86.4 | Confident | 145 Ų | 145 | 79.8 Ų | 79.8 | 57% | 0.569 | 41% | 0.406 | S | S | * | . | trans | -79.6 | 115.2 | 172.1 | -179.9 | -107.3 | 0 | 0 | 0 | 110.5 | A15 P36 | A15-Y34 HydrophobicContact CB-CE2 4.46Å; Y34-P36 HydrophobicContact CD1-CG 4.49Å; Y34-P36 HydrophobicContact CE1-CG 3.77Å | ||
| 35 | V | 80.1 | Confident | 86.3 | Confident | 101 Ų | 101 | 85.1 Ų | 85.1 | 61% | 0.612 | 43% | 0.434 | S | S | * | . | trans | -123.2 | 119.9 | 170.7 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | V33 T37 | V33-V35 HydrophobicContact CG1-CG2 4.06Å; V33-V35 PolarHBondContact O-N 3.49Å; V35-T37 PolarHBondContact O-N 3.3Å | ||
| 36 | P | 78.9 | Confident | 86.3 | Confident | 72 Ų | 72 | 83.6 Ų | 83.6 | 47% | 0.468 | 43% | 0.428 | S | S | . | . | trans | -60 | 128 | 176.1 | -24.9 | 34 | 0 | 0 | 0 | 112.2 | Y34 | Y34-P36 HydrophobicContact CD1-CG 4.49Å; Y34-P36 HydrophobicContact CE1-CG 3.77Å | ||
| 37 | T | 80.6 | Confident | 86.4 | Confident | 15 Ų | 15 | 86.9 Ų | 86.9 | 9% | 0.092 | 44% | 0.44 | C | S | . | . | trans | -79.6 | 138.3 | -179.8 | -51.5 | 0 | 0 | 0 | 0 | 111.7 | T19 V35 E40 D59 A61 | T19-T37 PolarHBondContact OG1-OG1 2.9Å; V35-T37 PolarHBondContact O-N 3.3Å; T37-E40 HydrophobicContact CG2-CG 4.36Å; T37-D59 HydrophobicContact CG2-CB 4.05Å; T37-D59 WeakPolarHBondContact CG2-OD2 3.46Å; T37-D59 PolarHBondContact OG1-OD2 2.93Å; T37-A61 WeakPolarHBondContact O-CA 3.43Å; T37-A61 WeakPolarHBondContact O-CB 3.23Å | ||
| 38 | V | 77.7 | Confident | 86.5 | Confident | 71 Ų | 71 | 80.9 Ų | 80.9 | 43% | 0.43 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -94.9 | -68.7 | 166.3 | 179 | 0 | 0 | 0 | 0 | 109 | A61 Y66 | V38-A61 PolarHBondContact O-N 3.48Å; V38-Y66 HydrophobicContact CB-CE1 4.3Å; V38-Y66 HydrophobicContact CG1-CD1 4.24Å; V38-Y66 HydrophobicContact CG1-CE1 3.7Å; V38-Y66 HydrophobicContact CG2-CE1 4.05Å |
| 39 | F | 72.7 | Confident | 86.5 | Confident | 70 Ų | 70 | 80.9 Ų | 80.9 | 31% | 0.307 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 133.7 | 167.7 | -69.2 | -72.5 | 0 | 0 | 0 | 109.4 | T60 L69 S73 | F39-T60 HydrophobicContact CD1-CG2 4.45Å; F39-T60 HydrophobicContact CE1-CG2 4.24Å; F39-L69 HydrophobicContact CE2-CB 3.82Å; F39-L69 HydrophobicContact CZ-CB 3.94Å; F39-S73 VanDerWaalsContact CD1-OG 3.26Å; F39-S73 WeakPolarHBondContact CD1-OG 3.19Å; F39-S73 WeakPolarHBondContact CE1-OG 3.23Å |
| 40 | E | 85.9 | Confident | 86.6 | Confident | 98 Ų | 98 | 77.3 Ų | 77.3 | 46% | 0.458 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 149.8 | 170.5 | -69 | -159.9 | -172.6 | 0 | 0 | 110.7 | T37 Y42 D59 | T37-E40 HydrophobicContact CG2-CG 4.36Å; E40-Y42 HydrophobicContact CB-CE2 3.92Å; E40-Y42 WeakPolarHBondContact OE2-CE1 3.28Å; E40-Y42 PolarHBondContact OE2-OH 3.15Å; E40-D59 HydrophobicContact CB-CB 4.33Å; E40-D59 PolarHBondContact N-O 3.47Å; E40-D59 PolarHBondContact O-N 3.28Å |
| 41 | N | 85.6 | Confident | 86.7 | Confident | 100 Ų | 100 | 77.6 Ų | 77.6 | 54% | 0.535 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 126.9 | 176.3 | -70.9 | -45.2 | 0 | 0 | 0 | 109.4 | L57 | N41-L57 WeakPolarHBondContact CA-O 3.22Å |
| 42 | Y | 89.4 | Confident | 87.1 | Confident | 23 Ų | 23 | 81 Ų | 81 | 9% | 0.09 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 157.4 | 173.5 | -47.8 | -83.5 | 0 | 0 | 0 | 110.2 | L22 I23 E40 L57 D59 | L22-Y42 HydrophobicContact CB-CD2 4.25Å; L22-Y42 HydrophobicContact CB-CE2 4.29Å; L22-Y42 HydrophobicContact CD1-CD2 4.1Å; L22-Y42 HydrophobicContact CD1-CE2 4.15Å; I23-Y42 HydrophobicContact CG1-CE1 4.49Å; E40-Y42 HydrophobicContact CB-CE2 3.92Å; E40-Y42 WeakPolarHBondContact OE2-CE1 3.28Å; E40-Y42 PolarHBondContact OE2-OH 3.15Å; Y42-L57 PolarHBondContact N-O 3.43Å; Y42-L57 PolarHBondContact O-N 2.92Å; Y42-D59 HydrophobicContact CE2-CB 4.13Å |
| 43 | I | 93.2 | Very high | 87.7 | Confident | 102 Ų | 102 | 72 Ų | 72 | 52% | 0.523 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 134.1 | 171.9 | -61.4 | 176 | 0 | 0 | 0 | 107.2 | E54 L55 | I43-E54 HydrophobicContact CG2-CG 3.62Å; I43-L55 WeakPolarHBondContact CA-O 3.31Å |
| 44 | A | 94.3 | Very high | 88.4 | Confident | 10 Ų | 10 | 69 Ų | 69 | 8% | 0.083 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 137.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | F25 L55 L57 | F25-A44 HydrophobicContact CD1-CB 3.97Å; F25-A44 HydrophobicContact CE1-CB 3.45Å; F25-A44 VanDerWaalsContact CE1-CB 3.45Å; F25-A44 HydrophobicContact CZ-CB 4.22Å; A44-L55 PolarHBondContact N-O 2.92Å; A44-L55 VanDerWaalsContact N-O 3.08Å; A44-L55 PolarHBondContact O-N 2.7Å; A44-L57 HydrophobicContact CB-CD1 4Å |
| 45 | D | 94.8 | Very high | 89.6 | Confident | 117 Ų | 117 | 62.1 Ų | 62.1 | 63% | 0.626 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 137.5 | 174.6 | -66.5 | -51.9 | 0 | 0 | 0 | 110.5 | ||
| 46 | I | 95.6 | Very high | 90.5 | Very high | 7 Ų | 7 | 57.8 Ų | 57.8 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 138.8 | 175.8 | -166.5 | 175.6 | 0 | 0 | 0 | 110.8 | F25 V48 V53 L55 F171 E172 T175 | F25-I46 HydrophobicContact CE2-CD1 4.13Å; F25-I46 HydrophobicContact CZ-CB 4.24Å; F25-I46 HydrophobicContact CZ-CD1 4.06Å; I46-V48 HydrophobicContact CD1-CG2 3.88Å; I46-V48 HydrophobicContact CG1-CG2 3.9Å; I46-V48 HydrophobicContact CG2-CG2 4.28Å; I46-V53 HydrophobicContact CG2-CB 4.13Å; I46-V53 PolarHBondContact N-O 2.76Å; I46-V53 PolarHBondContact O-N 3.46Å; I46-L55 HydrophobicContact CG2-CD1 3.82Å; I46-L55 HydrophobicContact CG2-CG 3.96Å; I46-F171 HydrophobicContact CD1-CB 4Å; I46-E172 HydrophobicContact CD1-CG 3.82Å; I46-T175 HydrophobicContact CG2-CG2 4.2Å |
| 47 | E | 95.1 | Very high | 91.3 | Very high | 102 Ų | 102 | 54.3 Ų | 54.3 | 48% | 0.477 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 120.9 | 169.7 | -169.6 | 179.1 | 161.9 | 0 | 0 | 110.2 | K51 Q52 | E47-K51 WeakPolarHBondContact CA-O 3.5Å; E47-Q52 VanDerWaalsContact CD-NE2 3.3Å; E47-Q52 PolarHBondContact OE2-NE2 3.07Å |
| 48 | V | 94.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 56.9 Ų | 56.9 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 126.5 | 177.3 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | I46 G50 K51 E172 T175 R176 | I46-V48 HydrophobicContact CD1-CG2 3.88Å; I46-V48 HydrophobicContact CG1-CG2 3.9Å; I46-V48 HydrophobicContact CG2-CG2 4.28Å; V48-G50 PolarHBondContact O-N 2.89Å; V48-K51 PolarHBondContact N-O 3.19Å; V48-K51 WeakPolarHBondContact O-CB 3.38Å; V48-K51 PolarHBondContact O-N 3.35Å; V48-E172 HydrophobicContact CG2-CB 4.4Å; V48-E172 HydrophobicContact CG2-CG 4.19Å; V48-T175 HydrophobicContact CB-CG2 3.9Å; V48-T175 HydrophobicContact CG1-CG2 4.45Å; V48-T175 HydrophobicContact CG2-CG2 3.67Å; V48-R176 HydrophobicContact CG1-CB 4.35Å |
| 49 | D | 92.5 | Very high | 93 | Very high | 107 Ų | 107 | 53.5 Ų | 53.5 | 57% | 0.572 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 42.2 | 179.4 | -51 | -24.6 | 0 | 0 | 0 | 112.3 | K51 R176 | D49-K51 VanDerWaalsContact C-N 3.34Å; D49-K51 PolarHBondContact O-N 2.99Å; D49-R176 IonicContact OD1-CZ 3.95Å; D49-R176 IonicContact OD1-NE 3.47Å; D49-R176 PolarHBondContact OD1-NE 2.96Å; D49-R176 IonicContact OD1-NH2 2.78Å; D49-R176 PolarHBondContact OD1-NH2 3.16Å; D49-R176 IonicContact OD2-CZ 3.08Å; D49-R176 IonicContact OD2-NE 3.06Å; D49-R176 PolarHBondContact OD2-NE 2.94Å; D49-R176 IonicContact OD2-NH2 3.7Å |
| 50 | G | 91.9 | Very high | 94.2 | Very high | 64 Ų | 64 | 50.2 Ų | 50.2 | 66% | 0.66 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 16.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V48 | V48-G50 PolarHBondContact O-N 2.89Š|
| 51 | K | 92.4 | Very high | 94.5 | Very high | 83 Ų | 83 | 45.6 Ų | 45.6 | 36% | 0.361 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 125.7 | 178.9 | -63.8 | 174.9 | -177.1 | 171.9 | 0 | 110.8 | I4 E47 V48 D49 V53 L179 | I4-K51 HydrophobicContact CD1-CB 4.35Å; I4-K51 HydrophobicContact CD1-CD 4.12Å; E47-K51 WeakPolarHBondContact CA-O 3.5Å; V48-K51 PolarHBondContact N-O 3.19Å; V48-K51 WeakPolarHBondContact O-CB 3.38Å; V48-K51 PolarHBondContact O-N 3.35Å; D49-K51 VanDerWaalsContact C-N 3.34Å; D49-K51 PolarHBondContact O-N 2.99Å; K51-V53 HydrophobicContact CB-CG2 4.5Å; K51-L179 HydrophobicContact CD-CD1 4.26Å |
| 52 | Q | 95.5 | Very high | 94.8 | Very high | 107 Ų | 107 | 41.1 Ų | 41.1 | 50% | 0.5 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 122.4 | 169.1 | -61.7 | -61.2 | -19.6 | 0 | 0 | 110 | I4 E47 | I4-Q52 PolarHBondContact N-O 3.26Å; E47-Q52 VanDerWaalsContact CD-NE2 3.3Å; E47-Q52 PolarHBondContact OE2-NE2 3.07Å |
| 53 | V | 96.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.006 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.9 | -178.9 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | I4 K6 I46 K51 L55 T175 L179 | I4-V53 HydrophobicContact CB-CG2 4.34Å; I4-V53 CarbonylContact O-C 3.51Å; I4-V53 WeakPolarHBondContact O-CA 3.44Å; I4-V53 VanDerWaalsContact O-CG1 3.31Å; I4-V53 WeakPolarHBondContact O-CG1 3.44Å; K6-V53 HydrophobicContact CB-CG1 3.99Å; K6-V53 HydrophobicContact CG-CG1 3.79Å; I46-V53 HydrophobicContact CG2-CB 4.13Å; I46-V53 PolarHBondContact N-O 2.76Å; I46-V53 PolarHBondContact O-N 3.46Å; K51-V53 HydrophobicContact CB-CG2 4.5Å; V53-L55 HydrophobicContact CG1-CD2 4.01Å; V53-T175 HydrophobicContact CB-CG2 4.01Å; V53-T175 HydrophobicContact CG1-CG2 4.02Å; V53-T175 HydrophobicContact CG2-CG2 3.78Å; V53-L179 HydrophobicContact CG2-CD1 4.19Å; V53-L179 HydrophobicContact CG2-CD2 4.36Å |
| 54 | E | 97.1 | Very high | 94.7 | Very high | 51 Ų | 51 | 44.4 Ų | 44.4 | 24% | 0.238 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 116.4 | 168.4 | -174.2 | -167.2 | 93 | 0 | 0 | 108.3 | I4 R5 K6 I43 | I4-E54 PolarHBondContact O-N 3.2Å; R5-E54 CarbonylContact C-O 3.59Å; R5-E54 WeakPolarHBondContact CA-O 3.27Å; R5-E54 VanDerWaalsContact CD-OE1 3.28Å; R5-E54 WeakPolarHBondContact CD-OE1 3.43Å; R5-E54 HydrophobicContact CG-CB 4.5Å; R5-E54 WeakPolarHBondContact CG-OE1 3.34Å; R5-E54 IonicContact CZ-OE1 2.7Å; R5-E54 IonicContact NE-OE1 3.4Å; R5-E54 PolarHBondContact NE-OE1 2.91Å; R5-E54 IonicContact NH2-OE1 3.26Å; K6-E54 PolarHBondContact N-O 2.94Å; I43-E54 HydrophobicContact CG2-CG 3.62Å |
| 55 | L | 97.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 118.5 | 174.9 | -64.7 | 179.5 | 0 | 0 | 0 | 110.2 | K6 F25 I43 A44 I46 V53 L57 F171 | K6-L55 HydrophobicContact CB-CD2 3.86Å; K6-L55 WeakPolarHBondContact O-CA 3.22Å; F25-L55 HydrophobicContact CE1-CD1 3.95Å; F25-L55 HydrophobicContact CZ-CD1 4.09Å; I43-L55 WeakPolarHBondContact CA-O 3.31Å; A44-L55 PolarHBondContact N-O 2.92Å; A44-L55 VanDerWaalsContact N-O 3.08Å; A44-L55 PolarHBondContact O-N 2.7Å; I46-L55 HydrophobicContact CG2-CD1 3.82Å; I46-L55 HydrophobicContact CG2-CG 3.96Å; V53-L55 HydrophobicContact CG1-CD2 4.01Å; L55-L57 HydrophobicContact CB-CD2 3.72Å; L55-L57 HydrophobicContact CB-CG 4.34Å; L55-L57 HydrophobicContact CD1-CD2 4.23Å; L55-F171 HydrophobicContact CD1-CB 4.44Å; L55-F171 HydrophobicContact CD1-CD1 4.16Å |
| 56 | A | 97.6 | Very high | 94.5 | Very high | 10 Ų | 10 | 48.4 Ų | 48.4 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 107.8 | 162 | 0 | 0 | 0 | 0 | 0 | 108.2 | K6 L8 | K6-A56 PolarHBondContact O-N 3.15Å; L8-A56 PolarHBondContact N-O 3.11Å |
| 57 | L | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.1 | -176.4 | -50.8 | 176.5 | 0 | 0 | 0 | 109.4 | L8 L22 F25 N41 Y42 A44 L55 F171 | L8-L57 HydrophobicContact CB-CD2 4.15Å; L8-L57 HydrophobicContact CD1-CD2 4.23Å; L8-L57 HydrophobicContact CD2-CD2 4.11Å; L8-L57 HydrophobicContact CG-CD2 4.41Å; L22-L57 HydrophobicContact CD1-CB 4.42Å; L22-L57 HydrophobicContact CD2-CB 4.23Å; L22-L57 HydrophobicContact CD2-CD1 4.29Å; L22-L57 HydrophobicContact CD2-CD2 4.5Å; F25-L57 HydrophobicContact CD1-CD1 3.86Å; F25-L57 HydrophobicContact CE1-CD1 4.19Å; N41-L57 WeakPolarHBondContact CA-O 3.22Å; Y42-L57 PolarHBondContact N-O 3.43Å; Y42-L57 PolarHBondContact O-N 2.92Å; A44-L57 HydrophobicContact CB-CD1 4Å; L55-L57 HydrophobicContact CB-CD2 3.72Å; L55-L57 HydrophobicContact CB-CG 4.34Å; L55-L57 HydrophobicContact CD1-CD2 4.23Å; L57-F171 HydrophobicContact CD2-CD1 4.31Å; L57-F171 HydrophobicContact CD2-CE1 3.99Å |
| 58 | W | 97.6 | Very high | 94.3 | Very high | 68 Ų | 68 | 57 Ų | 57 | 26% | 0.258 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 105.2 | -179.4 | -72.2 | 66.3 | 0 | 0 | 0 | 109.4 | K7 L8 V9 I10 | K7-W58 HydrophobicContact CD-CZ2 4.5Å; K7-W58 VanDerWaalsContact CE-CE2 3.48Å; L8-W58 PolarHBondContact O-N 3.3Å; V9-W58 HydrophobicContact CB-CB 4.34Å; V9-W58 HydrophobicContact CG1-CB 4.49Å; V9-W58 HydrophobicContact CG2-CB 3.8Å; V9-W58 HydrophobicContact CG2-CG 4.16Å; I10-W58 WeakPolarHBondContact CG2-O 3.41Å; I10-W58 PolarHBondContact N-O 3.43Å; I10-W58 VanDerWaalsContact N-O 3.13Å |
| 59 | D | 96.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 139.4 | 174.6 | -157.2 | 5.6 | 0 | 0 | 0 | 111 | I10 T19 L22 T37 E40 Y42 | I10-D59 WeakPolarHBondContact CG2-OD1 3.24Å; T19-D59 WeakPolarHBondContact CA-OD2 3.35Å; T19-D59 VanDerWaalsContact CB-OD2 3.22Å; T19-D59 WeakPolarHBondContact CB-OD2 3.37Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.34Å; T19-D59 PolarHBondContact OG1-OD2 3.28Å; L22-D59 HydrophobicContact CD1-CB 3.54Å; T37-D59 HydrophobicContact CG2-CB 4.05Å; T37-D59 WeakPolarHBondContact CG2-OD2 3.46Å; T37-D59 PolarHBondContact OG1-OD2 2.93Å; E40-D59 HydrophobicContact CB-CB 4.33Å; E40-D59 PolarHBondContact N-O 3.47Å; E40-D59 PolarHBondContact O-N 3.28Å; Y42-D59 HydrophobicContact CE2-CB 4.13Å |
| 60 | T | 95.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 146.6 | -176.5 | 72.5 | 0 | 0 | 0 | 0 | 112.4 | V9 I10 K18 F39 R70 | V9-T60 HydrophobicContact CG1-CG2 3.92Å; I10-T60 WeakPolarHBondContact O-CG2 3.41Å; I10-T60 PolarHBondContact O-OG1 2.9Å; K18-T60 WeakPolarHBondContact CE-O 3.3Å; F39-T60 HydrophobicContact CD1-CG2 4.45Å; F39-T60 HydrophobicContact CE1-CG2 4.24Å; T60-R70 HydrophobicContact CG2-CG 4.19Å |
| 61 | A | 93.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | trans | -62.9 | 135.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | T37 V38 Y66 R70 | T37-A61 WeakPolarHBondContact O-CA 3.43Å; T37-A61 WeakPolarHBondContact O-CB 3.23Å; V38-A61 PolarHBondContact O-N 3.48Å; A61-Y66 HydrophobicContact CB-CD1 4.07Å; A61-Y66 HydrophobicContact CB-CD2 3.45Å; A61-Y66 VanDerWaalsContact CB-CD2 3.45Å; A61-Y66 HydrophobicContact CB-CE2 4.13Å; A61-Y66 HydrophobicContact CB-CG 3.42Å; A61-Y66 VanDerWaalsContact CB-CG 3.42Å; A61-R70 PolarHBondContact O-NE 3.19Å; A61-R70 PolarHBondContact O-NH2 3.37Å | ||
| 62 | G | 91.5 | Very high | 94.8 | Very high | 6 Ų | 6 | 55.7 Ų | 55.7 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | trans | -94.6 | -8.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | G12 G14 | G12-G62 WeakPolarHBondContact O-CA 3.36Å; G14-G62 PolarHBondContact N-O 3.5Å | ||
| 63 | Q | 90.6 | Very high | 94.8 | Very high | 53 Ų | 53 | 50.8 Ų | 50.8 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -80 | 149.3 | -177.9 | -55.8 | 83.7 | -18.7 | 0 | 0 | 110.8 | D65 Y66 R70 | Q63-D65 PolarHBondContact O-N 2.92Å; Q63-Y66 HydrophobicContact CB-CD2 4.13Å; Q63-Y66 PolarHBondContact O-N 2.86Å; Q63-Y66 VanDerWaalsContact O-N 3.15Å; Q63-R70 PolarHBondContact O-NH2 3.46Å |
| 64 | E | 89.6 | Confident | 94.9 | Very high | 141 Ų | 141 | 51 Ų | 51 | 66% | 0.659 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -64.7 | -28.4 | -177.7 | -46.7 | -156.4 | 130.2 | 0 | 0 | 112.9 | Y66 D67 K98 | E64-Y66 PolarHBondContact O-N 3.25Å; E64-D67 VanDerWaalsContact O-CB 3.31Å; E64-D67 WeakPolarHBondContact O-CB 3.29Å; E64-D67 VanDerWaalsContact O-CG 3.25Å; E64-D67 PolarHBondContact O-N 2.89Å; E64-K98 IonicContact OE1-NZ 3.42Å; E64-K98 PolarHBondContact OE1-NZ 2.96Å |
| 65 | D | 92.7 | Very high | 94.9 | Very high | 145 Ų | 145 | 52 Ų | 52 | 78% | 0.775 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -54.3 | -23.1 | 175 | -62.1 | -34.5 | 0 | 0 | 0 | 112.8 | Q63 | Q63-D65 PolarHBondContact O-N 2.92Š|
| 66 | Y | 92.7 | Very high | 94.8 | Very high | 66 Ų | 66 | 59.1 Ų | 59.1 | 26% | 0.259 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -104.1 | 6.3 | -179.3 | -61.9 | -86.2 | 0 | 0 | 0 | 114 | V38 A61 Q63 E64 R68 L69 R70 | V38-Y66 HydrophobicContact CB-CE1 4.3Å; V38-Y66 HydrophobicContact CG1-CD1 4.24Å; V38-Y66 HydrophobicContact CG1-CE1 3.7Å; V38-Y66 HydrophobicContact CG2-CE1 4.05Å; A61-Y66 HydrophobicContact CB-CD1 4.07Å; A61-Y66 HydrophobicContact CB-CD2 3.45Å; A61-Y66 VanDerWaalsContact CB-CD2 3.45Å; A61-Y66 HydrophobicContact CB-CE2 4.13Å; A61-Y66 HydrophobicContact CB-CG 3.42Å; A61-Y66 VanDerWaalsContact CB-CG 3.42Å; Q63-Y66 HydrophobicContact CB-CD2 4.13Å; Q63-Y66 PolarHBondContact O-N 2.86Å; Q63-Y66 VanDerWaalsContact O-N 3.15Å; E64-Y66 PolarHBondContact O-N 3.25Å; Y66-R68 PolarHBondContact O-N 2.84Å; Y66-R68 VanDerWaalsContact O-N 3.12Å; Y66-L69 HydrophobicContact CD1-CD1 3.93Å; Y66-L69 HydrophobicContact CE1-CD1 4.46Å; Y66-L69 PolarHBondContact O-N 2.99Å; Y66-R70 PolarHBondContact O-N 3.39Å |
| 67 | D | 92.9 | Very high | 94.8 | Very high | 51 Ų | 51 | 59.3 Ų | 59.3 | 27% | 0.273 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -29.6 | -177.7 | -75.4 | -8.6 | 0 | 0 | 0 | 112.8 | E64 R70 P71 K98 | E64-D67 VanDerWaalsContact O-CB 3.31Å; E64-D67 WeakPolarHBondContact O-CB 3.29Å; E64-D67 VanDerWaalsContact O-CG 3.25Å; E64-D67 PolarHBondContact O-N 2.89Å; D67-R70 IonicContact OD1-CZ 2.94Å; D67-R70 VanDerWaalsContact OD1-CZ 3.24Å; D67-R70 IonicContact OD1-NH1 2.8Å; D67-R70 PolarHBondContact OD1-NH1 3.01Å; D67-R70 IonicContact OD1-NH2 2.9Å; D67-R70 PolarHBondContact OD1-NH2 2.99Å; D67-P71 WeakPolarHBondContact O-CD 3.27Å; D67-K98 WeakPolarHBondContact OD1-CE 3.26Å; D67-K98 IonicContact OD1-NZ 3.66Å; D67-K98 PolarHBondContact OD1-NZ 3.47Å; D67-K98 IonicContact OD2-NZ 2.7Å; D67-K98 PolarHBondContact OD2-NZ 2.91Å |
| 68 | R | 93.4 | Very high | 94.9 | Very high | 237 Ų | 237 | 61.4 Ų | 61.4 | 89% | 0.894 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -22.2 | 175.8 | -64.9 | -175.8 | -179.4 | -179.1 | 1.4 | 113.9 | Y66 | Y66-R68 PolarHBondContact O-N 2.84Å; Y66-R68 VanDerWaalsContact O-N 3.12Å |
| 69 | L | 93.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 58.2 Ų | 58.2 | 41% | 0.414 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -34.7 | -177.2 | -66.2 | 174.7 | 0 | 0 | 0 | 111.8 | F39 Y66 P71 L72 | F39-L69 HydrophobicContact CE2-CB 3.82Å; F39-L69 HydrophobicContact CZ-CB 3.94Å; Y66-L69 HydrophobicContact CD1-CD1 3.93Å; Y66-L69 HydrophobicContact CE1-CD1 4.46Å; Y66-L69 PolarHBondContact O-N 2.99Å; L69-P71 VanDerWaalsContact C-N 3.27Å; L69-L72 HydrophobicContact CD2-CD1 4.23Å; L69-L72 VanDerWaalsContact O-CB 3.25Å; L69-L72 WeakPolarHBondContact O-CB 3.49Å; L69-L72 VanDerWaalsContact O-CG 3.31Å; L69-L72 WeakPolarHBondContact O-CG 3.36Å; L69-L72 PolarHBondContact O-N 3.17Å |
| 70 | R | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -51.7 | -37.5 | 179.8 | -160.6 | -179.9 | -47.8 | 103 | 5.2 | 113.9 | T60 A61 Q63 Y66 D67 L72 S73 Y74 E102 | T60-R70 HydrophobicContact CG2-CG 4.19Å; A61-R70 PolarHBondContact O-NE 3.19Å; A61-R70 PolarHBondContact O-NH2 3.37Å; Q63-R70 PolarHBondContact O-NH2 3.46Å; Y66-R70 PolarHBondContact O-N 3.39Å; D67-R70 IonicContact OD1-CZ 2.94Å; D67-R70 VanDerWaalsContact OD1-CZ 3.24Å; D67-R70 IonicContact OD1-NH1 2.8Å; D67-R70 PolarHBondContact OD1-NH1 3.01Å; D67-R70 IonicContact OD1-NH2 2.9Å; D67-R70 PolarHBondContact OD1-NH2 2.99Å; R70-L72 PolarHBondContact O-N 3.44Å; R70-S73 WeakPolarHBondContact O-CB 3.48Å; R70-S73 PolarHBondContact O-N 3.49Å; R70-Y74 WeakPolarHBondContact CD-OH 3.42Å; R70-E102 VanDerWaalsContact CD-OE1 3.31Å; R70-E102 WeakPolarHBondContact CD-OE1 3.28Å; R70-E102 IonicContact CZ-OE1 2.92Å; R70-E102 IonicContact NE-OE1 3.47Å; R70-E102 VanDerWaalsContact NH1-CD 3.32Å; R70-E102 IonicContact NH1-OE1 3.03Å; R70-E102 PolarHBondContact NH1-OE1 2.9Å; R70-E102 IonicContact NH1-OE2 2.73Å; R70-E102 PolarHBondContact NH1-OE2 3.49Å; R70-E102 VanDerWaalsContact NH1-OE2 3.08Å |
| 71 | P | 96.4 | Very high | 95.2 | Very high | 26 Ų | 26 | 58.1 Ų | 58.1 | 17% | 0.169 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -57.6 | -23.7 | 176.9 | -29.9 | 38.5 | 0 | 0 | 0 | 115.5 | D67 L69 S73 Y74 F106 | D67-P71 WeakPolarHBondContact O-CD 3.27Å; L69-P71 VanDerWaalsContact C-N 3.27Å; P71-S73 PolarHBondContact O-N 3.11Å; P71-Y74 VanDerWaalsContact CA-CD2 3.47Å; P71-Y74 HydrophobicContact CB-CD2 4.24Å; P71-Y74 PolarHBondContact O-N 3.44Å; P71-F106 HydrophobicContact CB-CD1 4.09Å; P71-F106 HydrophobicContact CB-CD2 4.34Å; P71-F106 HydrophobicContact CB-CE1 3.7Å; P71-F106 HydrophobicContact CB-CE2 3.97Å; P71-F106 HydrophobicContact CB-CG 4.4Å; P71-F106 HydrophobicContact CB-CZ 3.64Å; P71-F106 HydrophobicContact CG-CD2 4.26Å; P71-F106 HydrophobicContact CG-CE1 4.12Å; P71-F106 HydrophobicContact CG-CE2 3.59Å; P71-F106 HydrophobicContact CG-CZ 3.5Å |
| 72 | L | 95.1 | Very high | 95.4 | Very high | 126 Ų | 126 | 58 Ų | 58 | 66% | 0.66 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -66 | -19.8 | 176.8 | -57.8 | 176.8 | 0 | 0 | 0 | 112.7 | L69 R70 P75 | L69-L72 HydrophobicContact CD2-CD1 4.23Å; L69-L72 VanDerWaalsContact O-CB 3.25Å; L69-L72 WeakPolarHBondContact O-CB 3.49Å; L69-L72 VanDerWaalsContact O-CG 3.31Å; L69-L72 WeakPolarHBondContact O-CG 3.36Å; L69-L72 PolarHBondContact O-N 3.17Å; R70-L72 PolarHBondContact O-N 3.44Å; L72-P75 WeakPolarHBondContact O-CD 3.47Å |
| 73 | S | 96.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -83.3 | -15.5 | 176.7 | -55.4 | 0 | 0 | 0 | 0 | 113.7 | K7 V9 F39 R70 P71 | K7-S73 WeakPolarHBondContact CE-O 3.48Å; K7-S73 PolarHBondContact NZ-O 2.79Å; V9-S73 WeakPolarHBondContact CG2-O 3.37Å; F39-S73 VanDerWaalsContact CD1-OG 3.26Å; F39-S73 WeakPolarHBondContact CD1-OG 3.19Å; F39-S73 WeakPolarHBondContact CE1-OG 3.23Å; R70-S73 WeakPolarHBondContact O-CB 3.48Å; R70-S73 PolarHBondContact O-N 3.49Å; P71-S73 PolarHBondContact O-N 3.11Å |
| 74 | Y | 97.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 55.2 Ų | 55.2 | 2% | 0.02 | 27% | 0.273 | C | S | . | . | trans | -79.5 | -28.6 | -171.9 | -66.1 | -37.9 | 0 | 0 | 0 | 118.4 | V9 V11 R70 P71 D76 T77 I80 E102 F106 C107 | V9-Y74 HydrophobicContact CG1-CD1 4.09Å; V9-Y74 HydrophobicContact CG1-CE1 3.94Å; V11-Y74 HydrophobicContact CG1-CE1 3.87Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.37Å; R70-Y74 WeakPolarHBondContact CD-OH 3.42Å; P71-Y74 VanDerWaalsContact CA-CD2 3.47Å; P71-Y74 HydrophobicContact CB-CD2 4.24Å; P71-Y74 PolarHBondContact O-N 3.44Å; Y74-D76 PolarHBondContact O-N 2.83Å; Y74-T77 WeakPolarHBondContact O-CB 3.42Å; Y74-T77 PolarHBondContact O-N 2.98Å; Y74-T77 PolarHBondContact O-OG1 2.93Å; Y74-I80 HydrophobicContact CD1-CD1 4.38Å; Y74-I80 HydrophobicContact CE1-CD1 4.34Å; Y74-E102 HydrophobicContact CE2-CG 4.27Å; Y74-E102 PolarHBondContact OH-OE1 3.08Å; Y74-F106 HydrophobicContact CD2-CB 3.23Å; Y74-F106 HydrophobicContact CD2-CD1 4.37Å; Y74-F106 AromaticContact CD2-CD2 3.69Å; Y74-F106 HydrophobicContact CD2-CD2 3.69Å; Y74-F106 AromaticContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CE2-CB 3.95Å; Y74-F106 AromaticContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CE2 4.47Å; Y74-F106 HydrophobicContact CE2-CG 4.01Å; Y74-F106 HydrophobicContact CG-CB 3.86Å; Y74-C107 VanDerWaalsContact CB-SG 3.58Å | ||
| 75 | P | 97.3 | Very high | 96.6 | Very high | 74 Ų | 74 | 48.6 Ų | 48.6 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 135.9 | -179.4 | -30.2 | 36.5 | 0 | 0 | 0 | 112.6 | K7 L72 T77 | K7-P75 WeakPolarHBondContact CE-O 3.5Å; K7-P75 PolarHBondContact NZ-O 3.44Å; L72-P75 WeakPolarHBondContact O-CD 3.47Å; P75-T77 PolarHBondContact O-N 2.8Å |
| 76 | D | 96 | Very high | 96.9 | Very high | 149 Ų | 149 | 41.7 Ų | 41.7 | 80% | 0.797 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 22.7 | 178.4 | -53.2 | -52.5 | 0 | 0 | 0 | 116 | Y74 D78 | Y74-D76 PolarHBondContact O-N 2.83Å; D76-D78 PolarHBondContact O-N 2.94Å |
| 77 | T | 98.1 | Very high | 97.2 | Very high | 14 Ų | 14 | 40.4 Ų | 40.4 | 9% | 0.086 | 20% | 0.203 | C | C | . | . | trans | -66.3 | 131.2 | 176.4 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | V9 Y74 P75 V79 I80 V110 | V9-T77 HydrophobicContact CB-CG2 4.06Å; V9-T77 HydrophobicContact CG2-CG2 3.81Å; V9-T77 VanDerWaalsContact CG2-OG1 3.23Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.38Å; Y74-T77 WeakPolarHBondContact O-CB 3.42Å; Y74-T77 PolarHBondContact O-N 2.98Å; Y74-T77 PolarHBondContact O-OG1 2.93Å; P75-T77 PolarHBondContact O-N 2.8Å; T77-V79 WeakPolarHBondContact CG2-O 3.43Å; T77-I80 HydrophobicContact CG2-CD1 3.87Å; T77-I80 HydrophobicContact CG2-CG1 4.13Å; T77-V110 HydrophobicContact CG2-CG1 4.05Å; T77-V110 WeakPolarHBondContact O-CG2 3.5Å | ||
| 78 | D | 98.3 | Very high | 97.4 | Very high | 44 Ų | 44 | 39.9 Ų | 39.9 | 24% | 0.235 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -93.9 | -28 | 177.2 | -72.5 | -79.6 | 0 | 0 | 0 | 113.4 | K6 K7 D76 P111 A178 | K6-D78 WeakPolarHBondContact CA-OD2 3.38Å; K6-D78 HydrophobicContact CD-CB 3.79Å; K6-D78 VanDerWaalsContact CD-CG 3.4Å; K6-D78 VanDerWaalsContact CD-OD2 3.28Å; K6-D78 WeakPolarHBondContact CD-OD2 3.44Å; K6-D78 IonicContact NZ-OD1 3.63Å; K6-D78 PolarHBondContact NZ-OD1 3.45Å; K6-D78 IonicContact NZ-OD2 3.89Å; K7-D78 PolarHBondContact N-OD2 3.39Å; K7-D78 WeakPolarHBondContact O-CB 3.44Å; K7-D78 PolarHBondContact O-N 3.49Å; D76-D78 PolarHBondContact O-N 2.94Å; D78-P111 WeakPolarHBondContact O-CD 3.46Å; D78-A178 HydrophobicContact CB-CB 4.06Å |
| 79 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 146.6 | 178.5 | 60.8 | 0 | 0 | 0 | 0 | 110.9 | K7 L8 V9 T77 P111 I113 A174 A177 A178 | K7-V79 PolarHBondContact O-N 2.65Å; L8-V79 WeakPolarHBondContact CA-O 3.3Å; L8-V79 HydrophobicContact CB-CG1 3.89Å; L8-V79 HydrophobicContact CD1-CG1 4.09Å; L8-V79 HydrophobicContact CG-CG1 3.95Å; V9-V79 PolarHBondContact N-O 3.18Å; T77-V79 WeakPolarHBondContact CG2-O 3.43Å; V79-P111 HydrophobicContact CB-CG 4.29Å; V79-P111 HydrophobicContact CG2-CG 4.22Å; V79-I113 HydrophobicContact CG2-CG1 4.17Å; V79-A174 HydrophobicContact CG1-CB 4.26Å; V79-A174 HydrophobicContact CG2-CB 3.98Å; V79-A177 HydrophobicContact CG2-CB 4.42Å; V79-A178 HydrophobicContact CB-CB 4.06Å; V79-A178 HydrophobicContact CG1-CB 4.03Å |
| 80 | I | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 131.1 | 175.9 | -66 | -80 | 0 | 0 | 0 | 109.4 | V9 V11 Y74 T77 M82 V103 V110 P111 I112 I113 | V9-I80 HydrophobicContact CB-CD1 3.92Å; V9-I80 HydrophobicContact CG1-CD1 4.3Å; V9-I80 WeakPolarHBondContact O-CA 3.4Å; V11-I80 HydrophobicContact CG2-CG2 4.03Å; Y74-I80 HydrophobicContact CD1-CD1 4.38Å; Y74-I80 HydrophobicContact CE1-CD1 4.34Å; T77-I80 HydrophobicContact CG2-CD1 3.87Å; T77-I80 HydrophobicContact CG2-CG1 4.13Å; I80-M82 HydrophobicContact CG2-CB 4.27Å; I80-V103 HydrophobicContact CB-CG1 4.34Å; I80-V103 HydrophobicContact CD1-CG1 4.22Å; I80-V103 HydrophobicContact CD1-CG2 4.46Å; I80-V103 HydrophobicContact CG1-CG1 3.8Å; I80-V103 HydrophobicContact CG2-CG1 4.17Å; I80-V103 HydrophobicContact CG2-CG2 4.19Å; I80-V110 HydrophobicContact CG1-CG1 3.91Å; I80-P111 PolarHBondContact N-O 2.88Å; I80-I112 HydrophobicContact CB-CG1 4.22Å; I80-I112 HydrophobicContact CG2-CG1 4.43Å; I80-I112 HydrophobicContact CG2-CG2 4.42Å; I80-I113 PolarHBondContact O-N 2.72Å |
| 81 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 117.6 | 157.5 | -66.6 | -170.6 | 0 | 0 | 0 | 108.2 | L8 V9 I10 V11 L21 I113 V115 V170 F171 A174 | L8-L81 HydrophobicContact CD1-CD1 4.05Å; L8-L81 HydrophobicContact CD1-CG 3.97Å; L8-L81 HydrophobicContact CD2-CB 4.47Å; L8-L81 HydrophobicContact CD2-CD1 3.92Å; L8-L81 HydrophobicContact CD2-CG 3.88Å; L8-L81 HydrophobicContact CG-CD1 4.45Å; L8-L81 HydrophobicContact CG-CG 4.11Å; V9-L81 PolarHBondContact O-N 3.23Å; I10-L81 CarbonylContact C-O 3.58Å; I10-L81 WeakPolarHBondContact CA-O 3.41Å; I10-L81 HydrophobicContact CB-CB 4.19Å; I10-L81 HydrophobicContact CD1-CB 4.28Å; I10-L81 HydrophobicContact CD1-CD1 4.26Å; I10-L81 HydrophobicContact CG1-CB 3.85Å; V11-L81 PolarHBondContact N-O 3.36Å; L21-L81 HydrophobicContact CD2-CD1 4.39Å; L81-I113 HydrophobicContact CD2-CB 3.69Å; L81-I113 HydrophobicContact CD2-CG1 3.98Å; L81-I113 HydrophobicContact CD2-CG2 4.26Å; L81-V115 HydrophobicContact CD2-CG2 4.04Å; L81-V170 HydrophobicContact CD1-CG1 3.79Å; L81-V170 HydrophobicContact CD2-CG1 3.84Å; L81-V170 HydrophobicContact CG-CG1 4.5Å; L81-F171 HydrophobicContact CD1-CE1 4.07Å; L81-F171 HydrophobicContact CD1-CZ 4.29Å; L81-A174 HydrophobicContact CD2-CB 3.82Å |
| 82 | M | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 112.3 | 176.7 | -170.7 | -179.8 | -73.1 | 0 | 0 | 108.2 | V11 I80 I95 W99 V103 I112 I113 L114 V115 I151 | V11-M82 HydrophobicContact CG2-CB 4.31Å; V11-M82 HydrophobicContact CG2-CG 4.17Å; I80-M82 HydrophobicContact CG2-CB 4.27Å; M82-I95 HydrophobicContact CG-CD1 3.67Å; M82-I95 HydrophobicContact SD-CD1 4.03Å; M82-I95 HydrophobicContact SD-CG2 3.78Å; M82-W99 HydrophobicContact CE-CB 4.03Å; M82-W99 WeakPolarHBondContact CE-O 3.4Å; M82-W99 HydrophobicContact CG-CB 4.03Å; M82-W99 HydrophobicContact SD-CB 3.85Å; M82-V103 HydrophobicContact CE-CB 3.93Å; M82-V103 HydrophobicContact CE-CG1 4.38Å; M82-V103 HydrophobicContact CE-CG2 3.75Å; M82-I112 HydrophobicContact CB-CG2 3.71Å; M82-I112 HydrophobicContact CE-CD1 4.01Å; M82-I112 HydrophobicContact CE-CG2 3.99Å; M82-I112 HydrophobicContact SD-CG2 4.25Å; M82-I113 PolarHBondContact N-O 2.65Å; M82-L114 HydrophobicContact CG-CD1 4.49Å; M82-L114 CarbonylContact O-C 3.53Å; M82-L114 WeakPolarHBondContact O-CA 3.18Å; M82-V115 PolarHBondContact O-N 3.31Å; M82-I151 HydrophobicContact SD-CD1 3.95Å |
| 83 | C | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 137.6 | -167.5 | -65.3 | 0 | 0 | 0 | 0 | 112.2 | I10 V11 G12 K18 V115 | I10-C83 VanDerWaalsContact CD1-SG 3.57Å; V11-C83 PolarHBondContact O-N 3.38Å; G12-C83 VanDerWaalsContact CA-O 3.23Å; G12-C83 WeakPolarHBondContact CA-O 3.28Å; K18-C83 HydrophobicContact CG-CB 4.16Å; C83-V115 WeakPolarHBondContact CA-O 3.31Å |
| 84 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 174.4 | 161.4 | 71.7 | -85.9 | 0 | 0 | 0 | 108.9 | I86 S91 L92 I95 L114 V115 N117 V139 Y156 | F84-I86 HydrophobicContact CE2-CG1 4.26Å; F84-S91 WeakPolarHBondContact CB-O 3.31Å; F84-L92 HydrophobicContact CD1-CD1 3.77Å; F84-L92 HydrophobicContact CD2-CB 4Å; F84-L92 HydrophobicContact CD2-CD1 4.05Å; F84-L92 HydrophobicContact CE1-CD1 3.7Å; F84-L92 HydrophobicContact CE2-CB 4.45Å; F84-L92 HydrophobicContact CE2-CD1 4.03Å; F84-L92 HydrophobicContact CG-CB 4.26Å; F84-L92 HydrophobicContact CG-CD1 3.93Å; F84-L92 HydrophobicContact CZ-CD1 3.83Å; F84-I95 HydrophobicContact CB-CD1 4.21Å; F84-I95 HydrophobicContact CB-CG1 4.2Å; F84-L114 HydrophobicContact CD1-CD1 3.94Å; F84-L114 HydrophobicContact CD1-CG 4.22Å; F84-L114 HydrophobicContact CE1-CD1 4.21Å; F84-L114 HydrophobicContact CE1-CD2 4.15Å; F84-L114 HydrophobicContact CE1-CG 3.98Å; F84-V115 WeakPolarHBondContact CD1-O 3.39Å; F84-V115 PolarHBondContact N-O 3.24Å; F84-N117 WeakPolarHBondContact O-CB 3.49Å; F84-N117 PolarHBondContact O-N 3.47Å; F84-V139 HydrophobicContact CD2-CG2 4.5Å; F84-V139 HydrophobicContact CE2-CB 4.07Å; F84-V139 HydrophobicContact CE2-CG1 3.76Å; F84-V139 HydrophobicContact CE2-CG2 4.15Å; F84-V139 HydrophobicContact CZ-CG1 4.2Å; F84-Y156 AromaticContact CE1-CE2 3.75Å; F84-Y156 HydrophobicContact CE1-CE2 3.75Å; F84-Y156 AromaticContact CZ-CE2 3.88Å; F84-Y156 HydrophobicContact CZ-CE2 3.88Å |
| 85 | S | 98.8 | Very high | 98.4 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.014 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 133.2 | 178.9 | -154.8 | 0 | 0 | 0 | 0 | 111.4 | D87 S88 S91 K118 | S85-D87 WeakPolarHBondContact CB-OD1 3.11Å; S85-D87 PolarHBondContact O-N 3.34Å; S85-D87 PolarHBondContact OG-OD1 3.15Å; S85-S88 CarbonylContact O-C 3.47Å; S85-S88 PolarHBondContact O-N 2.73Å; S85-S88 VanDerWaalsContact O-O 3.12Å; S85-S91 PolarHBondContact N-OG 2.87Å; S85-S91 PolarHBondContact O-OG 2.85Å; S85-K118 WeakPolarHBondContact OG-CD 3.42Å; S85-K118 WeakPolarHBondContact OG-CE 3.44Å; S85-K118 WeakPolarHBondContact OG-CG 3.35Å; S85-K118 PolarHBondContact OG-NZ 2.7Å |
| 86 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -27.9 | -178.7 | -74 | 163.9 | 0 | 0 | 0 | 112 | F84 S88 N117 K119 R122 P138 V139 E158 | F84-I86 HydrophobicContact CE2-CG1 4.26Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 2.88Å; I86-N117 WeakPolarHBondContact CB-O 3.19Å; I86-N117 WeakPolarHBondContact CG1-O 3.38Å; I86-N117 PolarHBondContact N-O 3.49Å; I86-K119 VanDerWaalsContact CD1-CA 3.47Å; I86-K119 HydrophobicContact CD1-CB 3.78Å; I86-K119 HydrophobicContact CD1-CG 4.19Å; I86-R122 HydrophobicContact CG2-CB 3.86Å; I86-R122 HydrophobicContact CG2-CG 4.39Å; I86-P138 HydrophobicContact CG2-CB 4.21Å; I86-P138 CarbonylContact O-C 3.42Å; I86-P138 WeakPolarHBondContact O-CA 3.46Å; I86-V139 PolarHBondContact O-N 3Å; I86-E158 HydrophobicContact CD1-CB 4.25Å; I86-E158 HydrophobicContact CD1-CG 4.11Å |
| 87 | D | 98.5 | Very high | 98.6 | Very high | 38 Ų | 38 | 27.7 Ų | 27.7 | 20% | 0.203 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 4.6 | 174.2 | 70.2 | -24.8 | 0 | 0 | 0 | 114.1 | S85 K118 L121 T127 | S85-D87 WeakPolarHBondContact CB-OD1 3.11Å; S85-D87 PolarHBondContact O-N 3.34Å; S85-D87 PolarHBondContact OG-OD1 3.15Å; D87-K118 IonicContact OD1-NZ 3.85Å; D87-K118 PolarHBondContact OD1-NZ 2.64Å; D87-K118 IonicContact OD2-NZ 2.76Å; D87-K118 PolarHBondContact OD2-NZ 2.7Å; D87-L121 HydrophobicContact CB-CB 4.04Å; D87-L121 HydrophobicContact CB-CD1 3.8Å; D87-L121 VanDerWaalsContact OD2-CD1 3.24Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.16Å; D87-T127 HydrophobicContact CB-CG2 3.61Å |
| 88 | S | 98.4 | Very high | 98.5 | Very high | 40 Ų | 40 | 28.8 Ų | 28.8 | 28% | 0.28 | 15% | 0.15 | S | C | . | . | trans | -140.3 | 92.2 | -178.6 | 178.5 | 0 | 0 | 0 | 0 | 111 | S85 I86 D90 S91 | S85-S88 CarbonylContact O-C 3.47Å; S85-S88 PolarHBondContact O-N 2.73Å; S85-S88 VanDerWaalsContact O-O 3.12Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 2.88Å; S88-D90 VanDerWaalsContact C-N 3.27Å; S88-D90 PolarHBondContact O-N 3.33Å; S88-S91 WeakPolarHBondContact O-CB 3.43Å; S88-S91 PolarHBondContact O-N 3.08Å; S88-S91 VanDerWaalsContact O-N 3.07Å; S88-S91 PolarHBondContact O-OG 2.91Å | ||
| 89 | P | 98.3 | Very high | 98.6 | Very high | 19 Ų | 19 | 26.7 Ų | 26.7 | 12% | 0.123 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.3 | -39.2 | 176 | -29.5 | 39.5 | 0 | 0 | 0 | 113.5 | S91 L92 E93 Q136 E137 V139 | P89-S91 PolarHBondContact O-N 3.09Å; P89-L92 WeakPolarHBondContact O-CA 3.4Å; P89-L92 VanDerWaalsContact O-CB 3.3Å; P89-L92 WeakPolarHBondContact O-CB 3.47Å; P89-L92 PolarHBondContact O-N 3.4Å; P89-E93 PolarHBondContact O-N 3.18Å; P89-E93 VanDerWaalsContact O-N 3.12Å; P89-Q136 HydrophobicContact CG-CB 4.24Å; P89-E137 WeakPolarHBondContact CG-O 3.45Å; P89-V139 HydrophobicContact CB-CG2 4.47Å; P89-V139 HydrophobicContact CG-CG2 4.39Å |
| 90 | D | 98.2 | Very high | 98.6 | Very high | 77 Ų | 77 | 27.2 Ų | 27.2 | 41% | 0.412 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -55.3 | -38.5 | 176 | -56.6 | -1.2 | 0 | 0 | 0 | 111.8 | S88 L92 E93 N94 Q136 | S88-D90 VanDerWaalsContact C-N 3.27Å; S88-D90 PolarHBondContact O-N 3.33Å; D90-L92 PolarHBondContact O-N 3.19Å; D90-E93 WeakPolarHBondContact O-CB 3.44Å; D90-E93 PolarHBondContact O-N 2.99Å; D90-E93 VanDerWaalsContact O-N 3.09Å; D90-N94 PolarHBondContact O-N 3.3Å; D90-N94 PolarHBondContact O-ND2 2.99Å; D90-Q136 PolarHBondContact OD1-NE2 2.98Å |
| 91 | S | 98.6 | Very high | 98.5 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.014 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.2 | -23.1 | 178 | 75.3 | 0 | 0 | 0 | 0 | 113.6 | D13 F84 S85 S88 P89 | D13-S91 WeakPolarHBondContact OD2-CA 3.24Å; D13-S91 WeakPolarHBondContact OD2-CB 3.45Å; F84-S91 WeakPolarHBondContact CB-O 3.31Å; S85-S91 PolarHBondContact N-OG 2.87Å; S85-S91 PolarHBondContact O-OG 2.85Å; S88-S91 WeakPolarHBondContact O-CB 3.43Å; S88-S91 PolarHBondContact O-N 3.08Å; S88-S91 VanDerWaalsContact O-N 3.07Å; S88-S91 PolarHBondContact O-OG 2.91Å; P89-S91 PolarHBondContact O-N 3.09Å |
| 92 | L | 98.8 | Very high | 98.5 | Very high | 14 Ų | 14 | 31.9 Ų | 31.9 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -77.6 | -39.8 | 169.8 | -178.6 | 69.6 | 0 | 0 | 0 | 110.9 | F84 P89 D90 N94 I95 P96 V139 E143 M147 | F84-L92 HydrophobicContact CD1-CD1 3.77Å; F84-L92 HydrophobicContact CD2-CB 4Å; F84-L92 HydrophobicContact CD2-CD1 4.05Å; F84-L92 HydrophobicContact CE1-CD1 3.7Å; F84-L92 HydrophobicContact CE2-CB 4.45Å; F84-L92 HydrophobicContact CE2-CD1 4.03Å; F84-L92 HydrophobicContact CG-CB 4.26Å; F84-L92 HydrophobicContact CG-CD1 3.93Å; F84-L92 HydrophobicContact CZ-CD1 3.83Å; P89-L92 WeakPolarHBondContact O-CA 3.4Å; P89-L92 VanDerWaalsContact O-CB 3.3Å; P89-L92 WeakPolarHBondContact O-CB 3.47Å; P89-L92 PolarHBondContact O-N 3.4Å; D90-L92 PolarHBondContact O-N 3.19Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 2.89Å; L92-I95 HydrophobicContact CD1-CG1 4.39Å; L92-I95 WeakPolarHBondContact O-CB 3.4Å; L92-I95 WeakPolarHBondContact O-CG1 3.21Å; L92-I95 PolarHBondContact O-N 3.44Å; L92-I95 VanDerWaalsContact O-N 3.11Å; L92-P96 WeakPolarHBondContact O-CD 3.4Å; L92-V139 HydrophobicContact CB-CG2 4.36Å; L92-V139 HydrophobicContact CD2-CG1 3.75Å; L92-V139 HydrophobicContact CD2-CG2 4.26Å; L92-E143 HydrophobicContact CD2-CB 4.21Å; L92-M147 HydrophobicContact CD1-CB 3.89Å; L92-M147 HydrophobicContact CD1-CE 4.32Å; L92-M147 HydrophobicContact CD1-CG 3.78Å; L92-M147 HydrophobicContact CG-CE 4.05Å |
| 93 | E | 98.4 | Very high | 98.5 | Very high | 113 Ų | 113 | 31.9 Ų | 31.9 | 53% | 0.528 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -62.4 | -35 | 176.7 | -64.5 | -174.7 | 170.3 | 0 | 0 | 112 | P89 D90 I95 P96 E97 | P89-E93 PolarHBondContact O-N 3.18Å; P89-E93 VanDerWaalsContact O-N 3.12Å; D90-E93 WeakPolarHBondContact O-CB 3.44Å; D90-E93 PolarHBondContact O-N 2.99Å; D90-E93 VanDerWaalsContact O-N 3.09Å; E93-I95 PolarHBondContact O-N 2.84Å; E93-P96 WeakPolarHBondContact O-CD 3.09Å; E93-P96 WeakPolarHBondContact O-CG 3.44Å; E93-E97 WeakPolarHBondContact O-CG 3.19Å |
| 94 | N | 98.7 | Very high | 98.4 | Very high | 49 Ų | 49 | 37.4 Ų | 37.4 | 26% | 0.262 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -67.3 | -16.4 | 175.5 | -70.8 | -28 | 0 | 0 | 0 | 113.9 | D13 D90 L92 E97 K98 W99 | D13-N94 PolarHBondContact OD2-ND2 3.42Å; D90-N94 PolarHBondContact O-N 3.3Å; D90-N94 PolarHBondContact O-ND2 2.99Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 2.89Å; N94-E97 PolarHBondContact O-N 2.76Å; N94-K98 PolarHBondContact O-N 2.87Å; N94-W99 PolarHBondContact O-N 3.13Å |
| 95 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | I | π-helix | trans | -59.8 | -56.7 | 179.7 | -66.3 | -70.4 | 0 | 0 | 0 | 112.1 | M82 F84 L92 E93 W99 T100 L114 M147 I151 | M82-I95 HydrophobicContact CG-CD1 3.67Å; M82-I95 HydrophobicContact SD-CD1 4.03Å; M82-I95 HydrophobicContact SD-CG2 3.78Å; F84-I95 HydrophobicContact CB-CD1 4.21Å; F84-I95 HydrophobicContact CB-CG1 4.2Å; L92-I95 HydrophobicContact CD1-CG1 4.39Å; L92-I95 WeakPolarHBondContact O-CB 3.4Å; L92-I95 WeakPolarHBondContact O-CG1 3.21Å; L92-I95 PolarHBondContact O-N 3.44Å; L92-I95 VanDerWaalsContact O-N 3.11Å; E93-I95 PolarHBondContact O-N 2.84Å; I95-W99 PolarHBondContact O-N 3.33Å; I95-T100 VanDerWaalsContact O-CB 3.23Å; I95-T100 WeakPolarHBondContact O-CB 3.34Å; I95-T100 PolarHBondContact O-N 3.29Å; I95-T100 PolarHBondContact O-OG1 2.7Å; I95-L114 HydrophobicContact CD1-CD1 3.79Å; I95-L114 HydrophobicContact CG1-CD1 4.1Å; I95-L114 HydrophobicContact CG2-CD1 3.93Å; I95-M147 HydrophobicContact CB-CG 4.33Å; I95-M147 HydrophobicContact CG2-CG 3.91Å; I95-M147 HydrophobicContact CG2-SD 4.27Å; I95-I151 HydrophobicContact CG2-CD1 3.81Å; I95-I151 HydrophobicContact CG2-CG2 4.07Å |
| 96 | P | 98.4 | Very high | 98.3 | Very high | 27 Ų | 27 | 48.3 Ų | 48.3 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | I | π-helix | trans | -75.5 | -26.2 | 176.9 | 29.3 | -37.3 | 0 | 0 | 0 | 113.2 | L92 E93 P101 M147 I151 | L92-P96 WeakPolarHBondContact O-CD 3.4Å; E93-P96 WeakPolarHBondContact O-CD 3.09Å; E93-P96 WeakPolarHBondContact O-CG 3.44Å; P96-P101 VanDerWaalsContact O-CD 3.24Å; P96-P101 WeakPolarHBondContact O-CD 3.3Å; P96-M147 HydrophobicContact CB-SD 4.3Å; P96-M147 VanDerWaalsContact CD-SD 3.57Å; P96-M147 HydrophobicContact CG-CE 3.83Å; P96-M147 HydrophobicContact CG-SD 3.85Å; P96-I151 HydrophobicContact CB-CG2 4.35Å |
| 97 | E | 97.7 | Very high | 98.3 | Very high | 143 Ų | 143 | 48.6 Ų | 48.6 | 67% | 0.668 | 25% | 0.245 | S | C | * | . | I | π-helix | trans | -80.9 | -39.7 | -174.2 | -66.1 | -170.3 | 175.2 | 0 | 0 | 113.2 | E93 N94 | E93-E97 WeakPolarHBondContact O-CG 3.19Å; N94-E97 PolarHBondContact O-N 2.76Å |
| 98 | K | 97.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 50.6 Ų | 50.6 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -117.7 | -60.6 | -175.1 | 178.3 | 172.9 | -176.7 | 154.3 | 0 | 112.6 | E64 D67 N94 T100 P101 E102 | E64-K98 IonicContact OE1-NZ 3.42Å; E64-K98 PolarHBondContact OE1-NZ 2.96Å; D67-K98 WeakPolarHBondContact OD1-CE 3.26Å; D67-K98 IonicContact OD1-NZ 3.66Å; D67-K98 PolarHBondContact OD1-NZ 3.47Å; D67-K98 IonicContact OD2-NZ 2.7Å; D67-K98 PolarHBondContact OD2-NZ 2.91Å; N94-K98 PolarHBondContact O-N 2.87Å; K98-T100 PolarHBondContact O-N 3.39Å; K98-P101 WeakPolarHBondContact O-CD 3.13Å; K98-E102 WeakPolarHBondContact O-CB 3.46Å; K98-E102 PolarHBondContact O-N 2.91Å; K98-E102 VanDerWaalsContact O-N 3.17Å |
| 99 | W | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | I | π-helix | trans | -69.5 | -38.7 | -166.5 | -62.7 | 110.9 | 0 | 0 | 0 | 113.1 | V11 G12 D13 M82 N94 I95 V103 | V11-W99 HydrophobicContact CB-CE3 3.85Å; V11-W99 HydrophobicContact CB-CZ3 4.03Å; V11-W99 HydrophobicContact CG2-CE3 4.16Å; G12-W99 WeakPolarHBondContact O-CH2 3.36Å; G12-W99 WeakPolarHBondContact O-CZ2 3.32Å; D13-W99 PolarHBondContact OD1-NE1 3.31Å; M82-W99 HydrophobicContact CE-CB 4.03Å; M82-W99 WeakPolarHBondContact CE-O 3.4Å; M82-W99 HydrophobicContact CG-CB 4.03Å; M82-W99 HydrophobicContact SD-CB 3.85Å; N94-W99 PolarHBondContact O-N 3.13Å; I95-W99 PolarHBondContact O-N 3.33Å; W99-V103 WeakPolarHBondContact O-CB 3.41Å; W99-V103 VanDerWaalsContact O-CG2 3.29Å; W99-V103 WeakPolarHBondContact O-CG2 3.5Å; W99-V103 PolarHBondContact O-N 3.22Å |
| 100 | T | 98.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -67.2 | -50.1 | 179.6 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | I95 K98 E102 K104 I151 | I95-T100 VanDerWaalsContact O-CB 3.23Å; I95-T100 WeakPolarHBondContact O-CB 3.34Å; I95-T100 PolarHBondContact O-N 3.29Å; I95-T100 PolarHBondContact O-OG1 2.7Å; K98-T100 PolarHBondContact O-N 3.39Å; T100-E102 PolarHBondContact O-N 2.83Å; T100-K104 HydrophobicContact CG2-CD 3.84Å; T100-K104 HydrophobicContact CG2-CG 4.33Å; T100-K104 VanDerWaalsContact O-CB 3.3Å; T100-K104 WeakPolarHBondContact O-CB 3.42Å; T100-K104 WeakPolarHBondContact O-CG 3.46Å; T100-K104 PolarHBondContact O-N 3.11Å; T100-I151 HydrophobicContact CG2-CB 4.05Å; T100-I151 HydrophobicContact CG2-CG2 4.23Å; T100-I151 WeakPolarHBondContact OG1-CG2 3.26Å |
| 101 | P | 98.4 | Very high | 97.8 | Very high | 69 Ų | 69 | 53.8 Ų | 53.8 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.8 | -46 | 173.5 | -28.2 | 35.2 | 0 | 0 | 0 | 113.4 | P96 K98 K104 H105 | P96-P101 VanDerWaalsContact O-CD 3.24Å; P96-P101 WeakPolarHBondContact O-CD 3.3Å; K98-P101 WeakPolarHBondContact O-CD 3.13Å; P101-K104 PolarHBondContact O-N 2.81Å; P101-H105 WeakPolarHBondContact O-CB 3.2Å; P101-H105 PolarHBondContact O-N 2.78Å |
| 102 | E | 98.5 | Very high | 97.8 | Very high | 28 Ų | 28 | 54.2 Ų | 54.2 | 13% | 0.131 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.6 | -51.9 | -179.4 | -174.1 | 174 | 128.1 | 0 | 0 | 111.7 | R70 Y74 K98 T100 K104 H105 F106 | R70-E102 VanDerWaalsContact CD-OE1 3.31Å; R70-E102 WeakPolarHBondContact CD-OE1 3.28Å; R70-E102 IonicContact CZ-OE1 2.92Å; R70-E102 IonicContact NE-OE1 3.47Å; R70-E102 VanDerWaalsContact NH1-CD 3.32Å; R70-E102 IonicContact NH1-OE1 3.03Å; R70-E102 PolarHBondContact NH1-OE1 2.9Å; R70-E102 IonicContact NH1-OE2 2.73Å; R70-E102 PolarHBondContact NH1-OE2 3.49Å; R70-E102 VanDerWaalsContact NH1-OE2 3.08Å; Y74-E102 HydrophobicContact CE2-CG 4.27Å; Y74-E102 PolarHBondContact OH-OE1 3.08Å; K98-E102 WeakPolarHBondContact O-CB 3.46Å; K98-E102 PolarHBondContact O-N 2.91Å; K98-E102 VanDerWaalsContact O-N 3.17Å; T100-E102 PolarHBondContact O-N 2.83Å; E102-K104 PolarHBondContact O-N 3.47Å; E102-H105 WeakPolarHBondContact O-CB 3.4Å; E102-H105 PolarHBondContact O-N 2.84Å; E102-F106 HydrophobicContact CG-CD2 4.06Å; E102-F106 HydrophobicContact CG-CE2 4.18Å; E102-F106 WeakPolarHBondContact O-CD2 3.12Å; E102-F106 PolarHBondContact O-N 3.25Å; E102-F106 VanDerWaalsContact O-N 3.11Å |
| 103 | V | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -41.1 | 179.5 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | V11 I80 M82 W99 H105 F106 C107 I112 | V11-V103 HydrophobicContact CG2-CG2 3.88Å; I80-V103 HydrophobicContact CB-CG1 4.34Å; I80-V103 HydrophobicContact CD1-CG1 4.22Å; I80-V103 HydrophobicContact CD1-CG2 4.46Å; I80-V103 HydrophobicContact CG1-CG1 3.8Å; I80-V103 HydrophobicContact CG2-CG1 4.17Å; I80-V103 HydrophobicContact CG2-CG2 4.19Å; M82-V103 HydrophobicContact CE-CB 3.93Å; M82-V103 HydrophobicContact CE-CG1 4.38Å; M82-V103 HydrophobicContact CE-CG2 3.75Å; W99-V103 WeakPolarHBondContact O-CB 3.41Å; W99-V103 VanDerWaalsContact O-CG2 3.29Å; W99-V103 WeakPolarHBondContact O-CG2 3.5Å; W99-V103 PolarHBondContact O-N 3.22Å; V103-H105 VanDerWaalsContact C-N 3.25Å; V103-H105 PolarHBondContact O-N 3.2Å; V103-F106 PolarHBondContact O-N 2.97Å; V103-C107 HydrophobicContact CG1-CB 4.17Å; V103-C107 CarbonylContact O-C 3.59Å; V103-C107 VanDerWaalsContact O-CA 3.31Å; V103-C107 WeakPolarHBondContact O-CA 3.24Å; V103-C107 VanDerWaalsContact O-CB 3.27Å; V103-C107 WeakPolarHBondContact O-CB 3.19Å; V103-C107 PolarHBondContact O-N 3.06Å; V103-I112 HydrophobicContact CG1-CD1 3.81Å; V103-I112 HydrophobicContact CG1-CG1 4.01Å |
| 104 | K | 97.4 | Very high | 97.8 | Very high | 116 Ų | 116 | 48.1 Ų | 48.1 | 50% | 0.504 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.4 | -27.5 | 178.4 | -74.7 | -175.9 | 177.9 | 174.2 | 0 | 112.6 | T100 P101 E102 I151 | T100-K104 HydrophobicContact CG2-CD 3.84Å; T100-K104 HydrophobicContact CG2-CG 4.33Å; T100-K104 VanDerWaalsContact O-CB 3.3Å; T100-K104 WeakPolarHBondContact O-CB 3.42Å; T100-K104 WeakPolarHBondContact O-CG 3.46Å; T100-K104 PolarHBondContact O-N 3.11Å; P101-K104 PolarHBondContact O-N 2.81Å; E102-K104 PolarHBondContact O-N 3.47Å; K104-I151 PolarHBondContact NZ-O 3.22Å |
| 105 | H | 97.8 | Very high | 97.8 | Very high | 141 Ų | 141 | 45.8 Ų | 45.8 | 65% | 0.653 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -71.4 | -51.2 | 175.1 | -177.9 | 72.9 | 0 | 0 | 0 | 112 | P101 E102 V103 | P101-H105 WeakPolarHBondContact O-CB 3.2Å; P101-H105 PolarHBondContact O-N 2.78Å; E102-H105 WeakPolarHBondContact O-CB 3.4Å; E102-H105 PolarHBondContact O-N 2.84Å; V103-H105 VanDerWaalsContact C-N 3.25Å; V103-H105 PolarHBondContact O-N 3.2Å |
| 106 | F | 98 | Very high | 97.8 | Very high | 89 Ų | 89 | 45.8 Ų | 45.8 | 39% | 0.39 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -89.3 | -26.2 | -173.7 | -68 | -70.8 | 0 | 0 | 0 | 114.8 | P71 Y74 E102 V103 P108 | P71-F106 HydrophobicContact CB-CD1 4.09Å; P71-F106 HydrophobicContact CB-CD2 4.34Å; P71-F106 HydrophobicContact CB-CE1 3.7Å; P71-F106 HydrophobicContact CB-CE2 3.97Å; P71-F106 HydrophobicContact CB-CG 4.4Å; P71-F106 HydrophobicContact CB-CZ 3.64Å; P71-F106 HydrophobicContact CG-CD2 4.26Å; P71-F106 HydrophobicContact CG-CE1 4.12Å; P71-F106 HydrophobicContact CG-CE2 3.59Å; P71-F106 HydrophobicContact CG-CZ 3.5Å; Y74-F106 HydrophobicContact CD2-CB 3.23Å; Y74-F106 HydrophobicContact CD2-CD1 4.37Å; Y74-F106 AromaticContact CD2-CD2 3.69Å; Y74-F106 HydrophobicContact CD2-CD2 3.69Å; Y74-F106 AromaticContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CE2-CB 3.95Å; Y74-F106 AromaticContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CE2 4.47Å; Y74-F106 HydrophobicContact CE2-CG 4.01Å; Y74-F106 HydrophobicContact CG-CB 3.86Å; E102-F106 HydrophobicContact CG-CD2 4.06Å; E102-F106 HydrophobicContact CG-CE2 4.18Å; E102-F106 WeakPolarHBondContact O-CD2 3.12Å; E102-F106 PolarHBondContact O-N 3.25Å; E102-F106 VanDerWaalsContact O-N 3.11Å; V103-F106 PolarHBondContact O-N 2.97Å; F106-P108 WeakPolarHBondContact O-CD 3.31Å |
| 107 | C | 97.1 | Very high | 97.8 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -122 | 58.6 | -175.9 | -66.5 | 0 | 0 | 0 | 0 | 111.5 | Y74 V103 N109 V110 | Y74-C107 VanDerWaalsContact CB-SG 3.58Å; V103-C107 HydrophobicContact CG1-CB 4.17Å; V103-C107 CarbonylContact O-C 3.59Å; V103-C107 VanDerWaalsContact O-CA 3.31Å; V103-C107 WeakPolarHBondContact O-CA 3.24Å; V103-C107 VanDerWaalsContact O-CB 3.27Å; V103-C107 WeakPolarHBondContact O-CB 3.19Å; V103-C107 PolarHBondContact O-N 3.06Å; C107-N109 PolarHBondContact O-N 2.82Å; C107-V110 HydrophobicContact CB-CB 3.89Å; C107-V110 HydrophobicContact CB-CG2 3.75Å; C107-V110 WeakPolarHBondContact O-CB 3.46Å; C107-V110 PolarHBondContact O-N 3Å |
| 108 | P | 94.8 | Very high | 97.9 | Very high | 80 Ų | 80 | 40.6 Ų | 40.6 | 52% | 0.519 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 133.4 | -177.6 | 27.7 | -35.2 | 0 | 0 | 0 | 110.9 | F106 V110 | F106-P108 WeakPolarHBondContact O-CD 3.31Å; P108-V110 PolarHBondContact O-N 3.12Å |
| 109 | N | 92.2 | Very high | 97.9 | Very high | 157 Ų | 157 | 42 Ų | 42 | 84% | 0.84 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 10.5 | -179 | -45.3 | -71.4 | 0 | 0 | 0 | 115.8 | C107 | C107-N109 PolarHBondContact O-N 2.82Š|
| 110 | V | 97.8 | Very high | 97.9 | Very high | 28 Ų | 28 | 44.4 Ų | 44.4 | 17% | 0.17 | 23% | 0.227 | C | C | . | . | trans | -80.7 | 131.3 | 171.3 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | T77 I80 C107 P108 | T77-V110 HydrophobicContact CG2-CG1 4.05Å; T77-V110 WeakPolarHBondContact O-CG2 3.5Å; I80-V110 HydrophobicContact CG1-CG1 3.91Å; C107-V110 HydrophobicContact CB-CB 3.89Å; C107-V110 HydrophobicContact CB-CG2 3.75Å; C107-V110 WeakPolarHBondContact O-CB 3.46Å; C107-V110 PolarHBondContact O-N 3Å; P108-V110 PolarHBondContact O-N 3.12Å | ||
| 111 | P | 98.3 | Very high | 97.9 | Very high | 17 Ų | 17 | 45.3 Ų | 45.3 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | trans | -67.3 | 139.1 | 179.1 | 27 | -34.1 | 0 | 0 | 0 | 110.5 | D78 V79 I80 F154 A177 V181 | D78-P111 WeakPolarHBondContact O-CD 3.46Å; V79-P111 HydrophobicContact CB-CG 4.29Å; V79-P111 HydrophobicContact CG2-CG 4.22Å; I80-P111 PolarHBondContact N-O 2.88Å; P111-F154 HydrophobicContact CB-CB 4.19Å; P111-A177 HydrophobicContact CB-CB 3.96Å; P111-A177 HydrophobicContact CG-CB 4Å; P111-V181 HydrophobicContact CG-CG2 3.73Å | ||
| 112 | I | 98.8 | Very high | 97.9 | Very high | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 128.3 | 178.1 | -60.6 | 168.3 | 0 | 0 | 0 | 108.1 | I80 M82 V103 I151 A153 F154 | I80-I112 HydrophobicContact CB-CG1 4.22Å; I80-I112 HydrophobicContact CG2-CG1 4.43Å; I80-I112 HydrophobicContact CG2-CG2 4.42Å; M82-I112 HydrophobicContact CB-CG2 3.71Å; M82-I112 HydrophobicContact CE-CD1 4.01Å; M82-I112 HydrophobicContact CE-CG2 3.99Å; M82-I112 HydrophobicContact SD-CG2 4.25Å; V103-I112 HydrophobicContact CG1-CD1 3.81Å; V103-I112 HydrophobicContact CG1-CG1 4.01Å; I112-I151 HydrophobicContact CG2-CD1 4.46Å; I112-A153 CarbonylContact O-C 3.56Å; I112-A153 WeakPolarHBondContact O-CA 3.45Å; I112-A153 WeakPolarHBondContact O-CB 3.49Å; I112-F154 WeakPolarHBondContact O-CB 3.33Å; I112-F154 PolarHBondContact O-N 3.4Å |
| 113 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 121.5 | 163.3 | -47.5 | -51.2 | 0 | 0 | 0 | 107.1 | V79 I80 L81 M82 V115 F154 M173 A174 A177 | V79-I113 HydrophobicContact CG2-CG1 4.17Å; I80-I113 PolarHBondContact O-N 2.72Å; L81-I113 HydrophobicContact CD2-CB 3.69Å; L81-I113 HydrophobicContact CD2-CG1 3.98Å; L81-I113 HydrophobicContact CD2-CG2 4.26Å; M82-I113 PolarHBondContact N-O 2.65Å; I113-V115 HydrophobicContact CG2-CG2 4.03Å; I113-F154 HydrophobicContact CD1-CB 3.88Å; I113-F154 HydrophobicContact CD1-CD1 3.61Å; I113-F154 HydrophobicContact CD1-CG 4.1Å; I113-M173 HydrophobicContact CD1-CG 3.91Å; I113-M173 HydrophobicContact CD1-SD 4.2Å; I113-M173 HydrophobicContact CG2-SD 3.96Å; I113-A174 HydrophobicContact CG1-CB 3.95Å; I113-A177 HydrophobicContact CD1-CB 4.08Å |
| 114 | L | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.6 | 170.6 | -175.1 | 67.4 | 0 | 0 | 0 | 108.7 | M82 F84 I95 G144 M147 A148 I151 A153 G155 Y156 L157 | M82-L114 HydrophobicContact CG-CD1 4.49Å; M82-L114 CarbonylContact O-C 3.53Å; M82-L114 WeakPolarHBondContact O-CA 3.18Å; F84-L114 HydrophobicContact CD1-CD1 3.94Å; F84-L114 HydrophobicContact CD1-CG 4.22Å; F84-L114 HydrophobicContact CE1-CD1 4.21Å; F84-L114 HydrophobicContact CE1-CD2 4.15Å; F84-L114 HydrophobicContact CE1-CG 3.98Å; I95-L114 HydrophobicContact CD1-CD1 3.79Å; I95-L114 HydrophobicContact CG1-CD1 4.1Å; I95-L114 HydrophobicContact CG2-CD1 3.93Å; L114-G144 WeakPolarHBondContact CD2-O 3.16Å; L114-M147 HydrophobicContact CD2-CB 3.91Å; L114-M147 HydrophobicContact CD2-CG 3.91Å; L114-A148 HydrophobicContact CB-CB 4.17Å; L114-A148 HydrophobicContact CD2-CB 3.86Å; L114-I151 HydrophobicContact CD1-CD1 4.33Å; L114-A153 HydrophobicContact CB-CB 4.3Å; L114-G155 PolarHBondContact N-O 3.35Å; L114-Y156 HydrophobicContact CB-CD2 4.1Å; L114-Y156 HydrophobicContact CD2-CD2 3.99Å; L114-Y156 HydrophobicContact CD2-CE2 4.43Å; L114-Y156 HydrophobicContact CG-CD2 3.97Å; L114-Y156 HydrophobicContact CG-CE2 4.42Å; L114-Y156 WeakPolarHBondContact O-CA 3.42Å; L114-Y156 WeakPolarHBondContact O-CD2 3.24Å; L114-L157 PolarHBondContact O-N 2.79Å; L114-L157 VanDerWaalsContact O-N 3.08Å |
| 115 | V | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 120.5 | -175.8 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | L21 L81 M82 C83 F84 I113 L157 V170 | L21-V115 HydrophobicContact CD2-CG1 4.21Å; L81-V115 HydrophobicContact CD2-CG2 4.04Å; M82-V115 PolarHBondContact O-N 3.31Å; C83-V115 WeakPolarHBondContact CA-O 3.31Å; F84-V115 WeakPolarHBondContact CD1-O 3.39Å; F84-V115 PolarHBondContact N-O 3.24Å; I113-V115 HydrophobicContact CG2-CG2 4.03Å; V115-L157 CarbonylContact C-O 3.42Å; V115-L157 WeakPolarHBondContact CA-O 3.25Å; V115-V170 HydrophobicContact CG1-CG1 4.38Å; V115-V170 HydrophobicContact CG1-CG2 3.98Å; V115-V170 HydrophobicContact CG2-CG1 3.82Å; V115-V170 HydrophobicContact CG2-CG2 4.42Å |
| 116 | G | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 104.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L157 E158 C159 | G116-L157 PolarHBondContact N-O 3.41Å; G116-E158 VanDerWaalsContact O-CA 3.28Å; G116-E158 WeakPolarHBondContact O-CA 3.15Å; G116-C159 PolarHBondContact O-N 3Å |
| 117 | N | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 167.9 | 178.4 | -73.3 | -27.2 | 0 | 0 | 0 | 112.3 | C16 F84 I86 K119 C159 | C16-N117 WeakPolarHBondContact O-CB 3.33Å; C16-N117 PolarHBondContact O-ND2 2.84Å; F84-N117 WeakPolarHBondContact O-CB 3.49Å; F84-N117 PolarHBondContact O-N 3.47Å; I86-N117 WeakPolarHBondContact CB-O 3.19Å; I86-N117 WeakPolarHBondContact CG1-O 3.38Å; I86-N117 PolarHBondContact N-O 3.49Å; N117-K119 VanDerWaalsContact C-N 3.31Å; N117-K119 PolarHBondContact O-N 3.37Å; N117-C159 CarbonylContact C-O 3.16Å; N117-C159 PolarHBondContact OD1-SG 2.77Å; N117-C159 VanDerWaalsContact OD1-SG 3.34Å |
| 118 | K | 98.4 | Very high | 97.8 | Very high | 56 Ų | 56 | 52 Ų | 52 | 24% | 0.243 | 26% | 0.259 | C | S | . | . | trans | 57.5 | 40.7 | 175.8 | -46.5 | -170.2 | -156.1 | 157.8 | 0 | 113.3 | A15 S85 D87 D120 L121 C159 | A15-K118 WeakPolarHBondContact O-CE 3.23Å; A15-K118 PolarHBondContact O-NZ 3.26Å; S85-K118 WeakPolarHBondContact OG-CD 3.42Å; S85-K118 WeakPolarHBondContact OG-CE 3.44Å; S85-K118 WeakPolarHBondContact OG-CG 3.35Å; S85-K118 PolarHBondContact OG-NZ 2.7Å; D87-K118 IonicContact OD1-NZ 3.85Å; D87-K118 PolarHBondContact OD1-NZ 2.64Å; D87-K118 IonicContact OD2-NZ 2.76Å; D87-K118 PolarHBondContact OD2-NZ 2.7Å; K118-D120 WeakPolarHBondContact CA-OD1 3.48Å; K118-D120 PolarHBondContact O-N 2.85Å; K118-D120 VanDerWaalsContact O-N 3.09Å; K118-L121 HydrophobicContact CB-CD1 3.85Å; K118-L121 HydrophobicContact CB-CG 4.12Å; K118-L121 HydrophobicContact CD-CD1 3.69Å; K118-L121 HydrophobicContact CG-CD1 4.42Å; K118-L121 WeakPolarHBondContact O-CB 3.42Å; K118-L121 PolarHBondContact O-N 3.42Å; K118-C159 PolarHBondContact N-O 3.13Å; K118-C159 VanDerWaalsContact N-O 3.08Å | ||
| 119 | K | 98.8 | Very high | 97.9 | Very high | 67 Ų | 67 | 55.8 Ų | 55.8 | 29% | 0.291 | 26% | 0.263 | S | S | . | . | G | 310 helix | trans | -53.6 | -29.6 | 178.4 | -175.4 | -173.8 | 173.2 | -163.7 | 0 | 113.8 | I86 N117 L121 R122 E158 C159 D165 | I86-K119 VanDerWaalsContact CD1-CA 3.47Å; I86-K119 HydrophobicContact CD1-CB 3.78Å; I86-K119 HydrophobicContact CD1-CG 4.19Å; N117-K119 VanDerWaalsContact C-N 3.31Å; N117-K119 PolarHBondContact O-N 3.37Å; K119-L121 PolarHBondContact O-N 3.19Å; K119-R122 PolarHBondContact O-N 2.73Å; K119-E158 HydrophobicContact CB-CB 4.49Å; K119-E158 HydrophobicContact CD-CB 3.9Å; K119-E158 HydrophobicContact CG-CB 4.31Å; K119-C159 WeakPolarHBondContact CB-O 3.22Å; K119-C159 PolarHBondContact N-O 3Å; K119-C159 VanDerWaalsContact N-O 3.1Å; K119-D165 WeakPolarHBondContact CD-OD2 2.92Å; K119-D165 WeakPolarHBondContact CE-OD2 3.18Å; K119-D165 IonicContact NZ-OD2 3.94Å; K119-D165 PolarHBondContact NZ-OD2 2.97Å |
| 120 | D | 98.4 | Very high | 98.1 | Very high | 50 Ų | 50 | 51.7 Ų | 51.7 | 27% | 0.267 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -58.1 | -27.6 | 174.6 | 55.5 | -66.3 | 0 | 0 | 0 | 113.4 | K118 S160 T163 | K118-D120 WeakPolarHBondContact CA-OD1 3.48Å; K118-D120 PolarHBondContact O-N 2.85Å; K118-D120 VanDerWaalsContact O-N 3.09Å; D120-S160 VanDerWaalsContact CG-OG 3.25Å; D120-S160 WeakPolarHBondContact OD1-CB 3.34Å; D120-S160 PolarHBondContact OD1-OG 2.89Å; D120-T163 HydrophobicContact CB-CG2 4.04Å |
| 121 | L | 98.4 | Very high | 98.1 | Very high | 30 Ų | 30 | 50.7 Ų | 50.7 | 16% | 0.157 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -82.7 | -9.5 | -177.1 | -59.2 | -176.9 | 0 | 0 | 0 | 114.2 | D87 K118 K119 N123 D124 T127 | D87-L121 HydrophobicContact CB-CB 4.04Å; D87-L121 HydrophobicContact CB-CD1 3.8Å; D87-L121 VanDerWaalsContact OD2-CD1 3.24Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.16Å; K118-L121 HydrophobicContact CB-CD1 3.85Å; K118-L121 HydrophobicContact CB-CG 4.12Å; K118-L121 HydrophobicContact CD-CD1 3.69Å; K118-L121 HydrophobicContact CG-CD1 4.42Å; K118-L121 WeakPolarHBondContact O-CB 3.42Å; K118-L121 PolarHBondContact O-N 3.42Å; K119-L121 PolarHBondContact O-N 3.19Å; L121-N123 PolarHBondContact O-N 2.84Å; L121-D124 HydrophobicContact CD2-CB 4.15Å; L121-D124 PolarHBondContact O-N 3.08Å; L121-T127 HydrophobicContact CB-CG2 4.2Å |
| 122 | R | 98.2 | Very high | 98.1 | Very high | 37 Ų | 37 | 54.5 Ų | 54.5 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -59 | -36.9 | 179.3 | -175.6 | 173.7 | -71.7 | 138.5 | -0.8 | 112.9 | I86 K119 R128 P138 V139 S141 E158 | I86-R122 HydrophobicContact CG2-CB 3.86Å; I86-R122 HydrophobicContact CG2-CG 4.39Å; K119-R122 PolarHBondContact O-N 2.73Å; R122-R128 PolarHBondContact O-NE 2.96Å; R122-R128 PolarHBondContact O-NH2 3.15Å; R122-P138 HydrophobicContact CG-CB 4.3Å; R122-V139 PolarHBondContact NE-O 3.27Å; R122-V139 PolarHBondContact NH2-O 3.49Å; R122-S141 PolarHBondContact NH1-OG 2.92Å; R122-E158 IonicContact CZ-OE1 2.7Å; R122-E158 IonicContact CZ-OE2 3.24Å; R122-E158 IonicContact NH1-OE1 3.2Å; R122-E158 PolarHBondContact NH1-OE1 3.21Å; R122-E158 IonicContact NH1-OE2 2.83Å; R122-E158 PolarHBondContact NH1-OE2 2.96Å; R122-E158 IonicContact NH2-OE1 3.03Å; R122-E158 PolarHBondContact NH2-OE1 2.7Å; R122-E158 IonicContact NH2-OE2 2.72Å; R122-E158 PolarHBondContact NH2-OE2 3.15Å |
| 123 | N | 96.3 | Very high | 98 | Very high | 119 Ų | 119 | 60.9 Ų | 60.9 | 64% | 0.636 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -108.1 | 5 | -177.7 | -62.5 | -32 | 0 | 0 | 0 | 112.3 | L121 E125 R128 | L121-N123 PolarHBondContact O-N 2.84Å; N123-E125 PolarHBondContact O-N 3.42Å; N123-R128 PolarHBondContact OD1-NH2 3.4Å |
| 124 | D | 97.9 | Very high | 97.9 | Very high | 57 Ų | 57 | 66.6 Ų | 66.6 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | trans | -71.4 | 123.6 | 176.9 | 175.6 | 63.4 | 0 | 0 | 0 | 110.5 | L121 H126 T127 R128 | L121-D124 HydrophobicContact CD2-CB 4.15Å; L121-D124 PolarHBondContact O-N 3.08Å; D124-H126 VanDerWaalsContact C-N 3.31Å; D124-H126 PolarHBondContact O-N 3.47Å; D124-H126 WeakPolarHBondContact OD2-CB 3.06Å; D124-H126 PolarHBondContact OD2-N 2.72Å; D124-T127 PolarHBondContact O-N 2.92Å; D124-T127 WeakPolarHBondContact OD2-CB 3.26Å; D124-T127 PolarHBondContact OD2-N 2.83Å; D124-T127 PolarHBondContact OD2-OG1 2.93Å; D124-R128 WeakPolarHBondContact O-CG 3.32Å; D124-R128 PolarHBondContact O-N 2.91Å | ||
| 125 | E | 97.6 | Very high | 97.8 | Very high | 128 Ų | 128 | 76.3 Ų | 76.3 | 60% | 0.598 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.4 | -38.9 | -175.5 | -71.3 | -164.9 | -173 | 0 | 0 | 112.3 | N123 R128 R129 | N123-E125 PolarHBondContact O-N 3.42Å; E125-R128 PolarHBondContact O-N 3.34Å; E125-R129 VanDerWaalsContact O-CG 3.24Å; E125-R129 WeakPolarHBondContact O-CG 3.44Å; E125-R129 PolarHBondContact O-N 3.27Å; E125-R129 IonicContact OE2-CZ 3.72Å; E125-R129 IonicContact OE2-NH2 3.86Å; E125-R129 PolarHBondContact OE2-NH2 3.03Å |
| 126 | H | 97.6 | Very high | 97.7 | Very high | 122 Ų | 122 | 78.8 Ų | 78.8 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64.5 | -49.3 | -179.7 | 176.1 | -85.4 | 0 | 0 | 0 | 110.3 | D124 R128 R129 E130 | D124-H126 VanDerWaalsContact C-N 3.31Å; D124-H126 PolarHBondContact O-N 3.47Å; D124-H126 WeakPolarHBondContact OD2-CB 3.06Å; D124-H126 PolarHBondContact OD2-N 2.72Å; H126-R128 VanDerWaalsContact C-N 3.33Å; H126-R128 PolarHBondContact O-N 2.77Å; H126-R129 PolarHBondContact O-N 3.09Å; H126-R129 VanDerWaalsContact O-N 3.13Å; H126-E130 PolarHBondContact O-N 2.7Å |
| 127 | T | 97.4 | Very high | 97.7 | Very high | 16 Ų | 16 | 83.7 Ų | 83.7 | 10% | 0.098 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -55.3 | -47.2 | 176.2 | -59.1 | 0 | 0 | 0 | 0 | 111.6 | D87 L121 D124 R129 E130 L131 | D87-T127 HydrophobicContact CB-CG2 3.61Å; L121-T127 HydrophobicContact CB-CG2 4.2Å; D124-T127 PolarHBondContact O-N 2.92Å; D124-T127 WeakPolarHBondContact OD2-CB 3.26Å; D124-T127 PolarHBondContact OD2-N 2.83Å; D124-T127 PolarHBondContact OD2-OG1 2.93Å; T127-R129 PolarHBondContact O-N 3.12Å; T127-E130 PolarHBondContact O-N 3.06Å; T127-L131 HydrophobicContact CG2-CD1 3.98Å; T127-L131 WeakPolarHBondContact O-CG 3.48Å; T127-L131 PolarHBondContact O-N 2.85Å |
| 128 | R | 97.8 | Very high | 97.7 | Very high | 114 Ų | 114 | 84 Ų | 84 | 43% | 0.43 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 177.2 | -73.2 | 178.7 | 173.6 | -160.7 | -0.7 | 112.6 | R122 N123 D124 E125 H126 T132 P138 | R122-R128 PolarHBondContact O-NE 2.96Å; R122-R128 PolarHBondContact O-NH2 3.15Å; N123-R128 PolarHBondContact OD1-NH2 3.4Å; D124-R128 WeakPolarHBondContact O-CG 3.32Å; D124-R128 PolarHBondContact O-N 2.91Å; E125-R128 PolarHBondContact O-N 3.34Å; H126-R128 VanDerWaalsContact C-N 3.33Å; H126-R128 PolarHBondContact O-N 2.77Å; R128-T132 WeakPolarHBondContact O-CB 3.48Å; R128-T132 PolarHBondContact O-N 2.86Å; R128-T132 PolarHBondContact O-OG1 3.21Å; R128-P138 HydrophobicContact CG-CG 3.94Å |
| 129 | R | 97.8 | Very high | 97.7 | Very high | 158 Ų | 158 | 81.5 Ų | 81.5 | 60% | 0.596 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.9 | -44 | 177.9 | -72.9 | 173.7 | -163.5 | -160.2 | 9.4 | 111.4 | E125 H126 T127 T132 K133 | E125-R129 VanDerWaalsContact O-CG 3.24Å; E125-R129 WeakPolarHBondContact O-CG 3.44Å; E125-R129 PolarHBondContact O-N 3.27Å; E125-R129 IonicContact OE2-CZ 3.72Å; E125-R129 IonicContact OE2-NH2 3.86Å; E125-R129 PolarHBondContact OE2-NH2 3.03Å; H126-R129 PolarHBondContact O-N 3.09Å; H126-R129 VanDerWaalsContact O-N 3.13Å; T127-R129 PolarHBondContact O-N 3.12Å; R129-T132 PolarHBondContact O-N 3.33Å; R129-K133 PolarHBondContact O-N 2.67Å |
| 130 | E | 97.4 | Very high | 97.7 | Very high | 72 Ų | 72 | 82.7 Ų | 82.7 | 34% | 0.336 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 178.3 | -66.5 | -48.4 | 120.6 | 0 | 0 | 112 | H126 T127 T132 K133 | H126-E130 PolarHBondContact O-N 2.7Å; T127-E130 PolarHBondContact O-N 3.06Å; E130-T132 VanDerWaalsContact C-N 3.31Å; E130-T132 PolarHBondContact O-N 3.29Å; E130-K133 WeakPolarHBondContact O-CB 3.13Å; E130-K133 PolarHBondContact O-N 3.41Å; E130-K133 WeakPolarHBondContact OE1-CE 3.35Å; E130-K133 IonicContact OE1-NZ 3.72Å; E130-K133 PolarHBondContact OE1-NZ 3.07Å; E130-K133 IonicContact OE2-NZ 2.83Å; E130-K133 PolarHBondContact OE2-NZ 2.77Å |
| 131 | L | 97.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 81.7 Ų | 81.7 | 4% | 0.037 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.8 | -37.9 | 176.4 | -72.7 | 171 | 0 | 0 | 0 | 112.4 | T127 K133 M134 K135 Q136 P138 | T127-L131 HydrophobicContact CG2-CD1 3.98Å; T127-L131 WeakPolarHBondContact O-CG 3.48Å; T127-L131 PolarHBondContact O-N 2.85Å; L131-K133 PolarHBondContact O-N 2.93Å; L131-M134 HydrophobicContact CD2-CE 3.92Å; L131-M134 CarbonylContact O-C 3.41Å; L131-M134 WeakPolarHBondContact O-CA 3.38Å; L131-M134 PolarHBondContact O-N 2.82Å; L131-K135 PolarHBondContact O-N 3.47Å; L131-Q136 CarbonylContact C-O 3.53Å; L131-Q136 HydrophobicContact CB-CB 4.19Å; L131-Q136 WeakPolarHBondContact CB-O 3.37Å; L131-Q136 HydrophobicContact CD2-CB 4.06Å; L131-Q136 PolarHBondContact O-N 3.46Å; L131-P138 HydrophobicContact CD1-CB 4.3Å; L131-P138 HydrophobicContact CD1-CG 3.75Å |
| 132 | T | 97.3 | Very high | 97.7 | Very high | 96 Ų | 96 | 85.3 Ų | 85.3 | 59% | 0.589 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.3 | -34.4 | 177.1 | -59.4 | 0 | 0 | 0 | 0 | 112 | R128 R129 E130 M134 K135 Q136 | R128-T132 WeakPolarHBondContact O-CB 3.48Å; R128-T132 PolarHBondContact O-N 2.86Å; R128-T132 PolarHBondContact O-OG1 3.21Å; R129-T132 PolarHBondContact O-N 3.33Å; E130-T132 VanDerWaalsContact C-N 3.31Å; E130-T132 PolarHBondContact O-N 3.29Å; T132-M134 PolarHBondContact O-N 2.91Å; T132-K135 PolarHBondContact O-N 2.92Å; T132-Q136 PolarHBondContact N-O 2.91Å |
| 133 | K | 97.3 | Very high | 97.7 | Very high | 146 Ų | 146 | 87.5 Ų | 87.5 | 64% | 0.635 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61 | -30.2 | 175 | -64.8 | 172.3 | -172.5 | 169.4 | 0 | 112 | R129 E130 L131 | R129-K133 PolarHBondContact O-N 2.67Å; E130-K133 WeakPolarHBondContact O-CB 3.13Å; E130-K133 PolarHBondContact O-N 3.41Å; E130-K133 WeakPolarHBondContact OE1-CE 3.35Å; E130-K133 IonicContact OE1-NZ 3.72Å; E130-K133 PolarHBondContact OE1-NZ 3.07Å; E130-K133 IonicContact OE2-NZ 2.83Å; E130-K133 PolarHBondContact OE2-NZ 2.77Å; L131-K133 PolarHBondContact O-N 2.93Å |
| 134 | M | 96.2 | Very high | 97.8 | Very high | 120 Ų | 120 | 81.8 Ų | 81.8 | 59% | 0.591 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 8.5 | 176.2 | -57.8 | -172.3 | -63.1 | 0 | 0 | 112.8 | L131 T132 Q136 | L131-M134 HydrophobicContact CD2-CE 3.92Å; L131-M134 CarbonylContact O-C 3.41Å; L131-M134 WeakPolarHBondContact O-CA 3.38Å; L131-M134 PolarHBondContact O-N 2.82Å; T132-M134 PolarHBondContact O-N 2.91Å; M134-Q136 PolarHBondContact O-N 2.64Å |
| 135 | K | 97.1 | Very high | 97.8 | Very high | 204 Ų | 204 | 83.8 Ų | 83.8 | 89% | 0.887 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 32.4 | -174.9 | -54.4 | 177.8 | 179.2 | 176.9 | 0 | 113.6 | L131 T132 | L131-K135 PolarHBondContact O-N 3.47Å; T132-K135 PolarHBondContact O-N 2.92Å |
| 136 | Q | 97.6 | Very high | 97.9 | Very high | 52 Ų | 52 | 82.4 Ų | 82.4 | 24% | 0.243 | 38% | 0.382 | C | S | . | . | trans | -116.6 | 166.5 | 178.1 | -72.4 | -177.6 | -24.7 | 0 | 0 | 111 | P89 D90 L131 T132 M134 | P89-Q136 HydrophobicContact CG-CB 4.24Å; D90-Q136 PolarHBondContact OD1-NE2 2.98Å; L131-Q136 CarbonylContact C-O 3.53Å; L131-Q136 HydrophobicContact CB-CB 4.19Å; L131-Q136 WeakPolarHBondContact CB-O 3.37Å; L131-Q136 HydrophobicContact CD2-CB 4.06Å; L131-Q136 PolarHBondContact O-N 3.46Å; T132-Q136 PolarHBondContact N-O 2.91Å; M134-Q136 PolarHBondContact O-N 2.64Å | ||
| 137 | E | 97.9 | Very high | 98 | Very high | 103 Ų | 103 | 77.5 Ų | 77.5 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | trans | -135.3 | 158.1 | 170.9 | 62.1 | 179 | 160.6 | 0 | 0 | 110 | P89 K140 | P89-E137 WeakPolarHBondContact CG-O 3.45Å; E137-K140 WeakPolarHBondContact OE1-CE 3.39Å; E137-K140 IonicContact OE1-NZ 2.95Å; E137-K140 PolarHBondContact OE1-NZ 2.88Å; E137-K140 IonicContact OE2-NZ 3.93Å | ||
| 138 | P | 98.6 | Very high | 98 | Very high | 11 Ų | 11 | 77.1 Ų | 77.1 | 7% | 0.071 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -58 | 144 | 175.3 | -22.5 | 31.7 | 0 | 0 | 0 | 111.8 | I86 R122 R128 L131 K140 | I86-P138 HydrophobicContact CG2-CB 4.21Å; I86-P138 CarbonylContact O-C 3.42Å; I86-P138 WeakPolarHBondContact O-CA 3.46Å; R122-P138 HydrophobicContact CG-CB 4.3Å; R128-P138 HydrophobicContact CG-CG 3.94Å; L131-P138 HydrophobicContact CD1-CB 4.3Å; L131-P138 HydrophobicContact CD1-CG 3.75Å; P138-K140 PolarHBondContact O-N 2.89Å |
| 139 | V | 98.6 | Very high | 98.1 | Very high | 2 Ų | 2 | 78.9 Ų | 78.9 | 1% | 0.012 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 126.6 | -178.3 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | F84 I86 P89 L92 R122 E143 | F84-V139 HydrophobicContact CD2-CG2 4.5Å; F84-V139 HydrophobicContact CE2-CB 4.07Å; F84-V139 HydrophobicContact CE2-CG1 3.76Å; F84-V139 HydrophobicContact CE2-CG2 4.15Å; F84-V139 HydrophobicContact CZ-CG1 4.2Å; I86-V139 PolarHBondContact O-N 3Å; P89-V139 HydrophobicContact CB-CG2 4.47Å; P89-V139 HydrophobicContact CG-CG2 4.39Å; L92-V139 HydrophobicContact CB-CG2 4.36Å; L92-V139 HydrophobicContact CD2-CG1 3.75Å; L92-V139 HydrophobicContact CD2-CG2 4.26Å; R122-V139 PolarHBondContact NE-O 3.27Å; R122-V139 PolarHBondContact NH2-O 3.49Å; V139-E143 HydrophobicContact CG1-CB 4.09Å |
| 140 | K | 98.6 | Very high | 98.1 | Very high | 92 Ų | 92 | 80.2 Ų | 80.2 | 40% | 0.4 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -77.2 | 153.4 | 174.7 | -61.6 | 170.1 | -173.4 | 156.2 | 0 | 110.6 | E137 P138 E142 E143 G144 | E137-K140 WeakPolarHBondContact OE1-CE 3.39Å; E137-K140 IonicContact OE1-NZ 2.95Å; E137-K140 PolarHBondContact OE1-NZ 2.88Å; E137-K140 IonicContact OE2-NZ 3.93Å; P138-K140 PolarHBondContact O-N 2.89Å; K140-E142 PolarHBondContact O-N 2.86Å; K140-E143 HydrophobicContact CB-CG 4.22Å; K140-E143 VanDerWaalsContact CB-OE2 3.26Å; K140-E143 WeakPolarHBondContact CB-OE2 3.2Å; K140-E143 WeakPolarHBondContact CG-OE2 3.25Å; K140-E143 PolarHBondContact N-OE2 3.1Å; K140-E143 PolarHBondContact O-N 3.39Å; K140-G144 PolarHBondContact O-N 3.08Å |
| 141 | S | 98.3 | Very high | 98.1 | Very high | 29 Ų | 29 | 77.1 Ų | 77.1 | 20% | 0.203 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.5 | -31.5 | 180 | -64.3 | 0 | 0 | 0 | 0 | 112.7 | R122 K145 E158 | R122-S141 PolarHBondContact NH1-OG 2.92Å; S141-K145 VanDerWaalsContact O-CG 3.3Å; S141-K145 WeakPolarHBondContact O-CG 3.4Å; S141-K145 PolarHBondContact O-N 3.34Å; S141-K145 VanDerWaalsContact O-N 3.09Å; S141-E158 WeakPolarHBondContact CA-OE1 3.03Å; S141-E158 VanDerWaalsContact CB-OE1 3.26Å; S141-E158 WeakPolarHBondContact CB-OE1 3.37Å; S141-E158 PolarHBondContact OG-OE1 2.97Å; S141-E158 PolarHBondContact OG-OE2 3.4Å |
| 142 | E | 98.6 | Very high | 98.1 | Very high | 106 Ų | 106 | 79.7 Ų | 79.7 | 50% | 0.495 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 178.1 | -70.1 | 57.5 | -126.1 | 0 | 0 | 111 | K140 G144 K145 D146 | K140-E142 PolarHBondContact O-N 2.86Å; E142-G144 VanDerWaalsContact C-N 3.33Å; E142-G144 PolarHBondContact O-N 2.96Å; E142-K145 WeakPolarHBondContact O-CB 3.22Å; E142-K145 PolarHBondContact O-N 3.16Å; E142-K145 VanDerWaalsContact O-N 3.15Å; E142-K145 IonicContact OE1-NZ 2.65Å; E142-K145 PolarHBondContact OE1-NZ 2.97Å; E142-D146 WeakPolarHBondContact O-CB 3.39Å; E142-D146 VanDerWaalsContact O-CG 3.29Å; E142-D146 PolarHBondContact O-N 3.46Å |
| 143 | E | 98.6 | Very high | 98.2 | Very high | 83 Ų | 83 | 76 Ų | 76 | 39% | 0.388 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 178.3 | -62.7 | 173.6 | 101.1 | 0 | 0 | 111.7 | L92 V139 K140 D146 M147 | L92-E143 HydrophobicContact CD2-CB 4.21Å; V139-E143 HydrophobicContact CG1-CB 4.09Å; K140-E143 HydrophobicContact CB-CG 4.22Å; K140-E143 VanDerWaalsContact CB-OE2 3.26Å; K140-E143 WeakPolarHBondContact CB-OE2 3.2Å; K140-E143 WeakPolarHBondContact CG-OE2 3.25Å; K140-E143 PolarHBondContact N-OE2 3.1Å; K140-E143 PolarHBondContact O-N 3.39Å; E143-D146 PolarHBondContact O-N 3.06Å; E143-M147 WeakPolarHBondContact O-CB 3.34Å; E143-M147 PolarHBondContact O-N 3.22Å |
| 144 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.2 | -39.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L114 K140 E142 M147 A148 | L114-G144 WeakPolarHBondContact CD2-O 3.16Å; K140-G144 PolarHBondContact O-N 3.08Å; E142-G144 VanDerWaalsContact C-N 3.33Å; E142-G144 PolarHBondContact O-N 2.96Å; G144-M147 PolarHBondContact O-N 2.81Å; G144-A148 PolarHBondContact O-N 3.23Å |
| 145 | K | 98.6 | Very high | 98.3 | Very high | 99 Ų | 99 | 68.3 Ų | 68.3 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 174.6 | -71.8 | 168.2 | -168.9 | 162.9 | 0 | 111.3 | S141 E142 M147 A148 Q149 Y156 | S141-K145 VanDerWaalsContact O-CG 3.3Å; S141-K145 WeakPolarHBondContact O-CG 3.4Å; S141-K145 PolarHBondContact O-N 3.34Å; S141-K145 VanDerWaalsContact O-N 3.09Å; E142-K145 WeakPolarHBondContact O-CB 3.22Å; E142-K145 PolarHBondContact O-N 3.16Å; E142-K145 VanDerWaalsContact O-N 3.15Å; E142-K145 IonicContact OE1-NZ 2.65Å; E142-K145 PolarHBondContact OE1-NZ 2.97Å; K145-M147 VanDerWaalsContact C-N 3.32Å; K145-M147 PolarHBondContact O-N 3.29Å; K145-A148 PolarHBondContact O-N 3.02Å; K145-Q149 WeakPolarHBondContact O-CG 3.18Å; K145-Q149 PolarHBondContact O-N 3.36Å; K145-Y156 HydrophobicContact CB-CD1 4.35Å; K145-Y156 HydrophobicContact CG-CD1 3.61Å; K145-Y156 HydrophobicContact CG-CE1 4.1Å |
| 146 | D | 98.8 | Very high | 98.4 | Very high | 99 Ų | 99 | 60.2 Ų | 60.2 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 179 | -70.1 | -12 | 0 | 0 | 0 | 110.7 | E142 E143 A148 Q149 R150 | E142-D146 WeakPolarHBondContact O-CB 3.39Å; E142-D146 VanDerWaalsContact O-CG 3.29Å; E142-D146 PolarHBondContact O-N 3.46Å; E143-D146 PolarHBondContact O-N 3.06Å; D146-A148 PolarHBondContact O-N 2.9Å; D146-Q149 PolarHBondContact O-N 3.26Å; D146-R150 WeakPolarHBondContact O-CB 3.21Å; D146-R150 PolarHBondContact O-N 2.81Å |
| 147 | M | 98.8 | Very high | 98.4 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 9% | 0.094 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -44.2 | 174.7 | -173.2 | 58.6 | 76.9 | 0 | 0 | 112.1 | L92 I95 P96 L114 E143 G144 K145 Q149 R150 I151 | L92-M147 HydrophobicContact CD1-CB 3.89Å; L92-M147 HydrophobicContact CD1-CE 4.32Å; L92-M147 HydrophobicContact CD1-CG 3.78Å; L92-M147 HydrophobicContact CG-CE 4.05Å; I95-M147 HydrophobicContact CB-CG 4.33Å; I95-M147 HydrophobicContact CG2-CG 3.91Å; I95-M147 HydrophobicContact CG2-SD 4.27Å; P96-M147 HydrophobicContact CB-SD 4.3Å; P96-M147 VanDerWaalsContact CD-SD 3.57Å; P96-M147 HydrophobicContact CG-CE 3.83Å; P96-M147 HydrophobicContact CG-SD 3.85Å; L114-M147 HydrophobicContact CD2-CB 3.91Å; L114-M147 HydrophobicContact CD2-CG 3.91Å; E143-M147 WeakPolarHBondContact O-CB 3.34Å; E143-M147 PolarHBondContact O-N 3.22Å; G144-M147 PolarHBondContact O-N 2.81Å; K145-M147 VanDerWaalsContact C-N 3.32Å; K145-M147 PolarHBondContact O-N 3.29Å; M147-Q149 VanDerWaalsContact C-N 3.3Å; M147-Q149 PolarHBondContact O-N 3.44Å; M147-R150 WeakPolarHBondContact O-CB 3.45Å; M147-R150 PolarHBondContact O-N 3.13Å; M147-R150 VanDerWaalsContact O-N 3.16Å; M147-I151 WeakPolarHBondContact O-CG1 3.38Å; M147-I151 PolarHBondContact O-N 2.8Å; M147-I151 HydrophobicContact SD-CG2 4.05Å |
| 148 | A | 98.7 | Very high | 98.5 | Very high | 7 Ų | 7 | 55.8 Ų | 55.8 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L114 G144 K145 D146 G152 A153 Y156 | L114-A148 HydrophobicContact CB-CB 4.17Å; L114-A148 HydrophobicContact CD2-CB 3.86Å; G144-A148 PolarHBondContact O-N 3.23Å; K145-A148 PolarHBondContact O-N 3.02Å; D146-A148 PolarHBondContact O-N 2.9Å; A148-G152 PolarHBondContact O-N 3.26Å; A148-A153 HydrophobicContact CB-CB 4.02Å; A148-A153 PolarHBondContact O-N 2.86Å; A148-Y156 HydrophobicContact CB-CG 4.44Å |
| 149 | Q | 98.5 | Very high | 98.5 | Very high | 152 Ų | 152 | 55.3 Ų | 55.3 | 71% | 0.71 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63.7 | -46.6 | 173.4 | -67.6 | 179.6 | 16.7 | 0 | 0 | 111.3 | K145 D146 M147 I151 G152 | K145-Q149 WeakPolarHBondContact O-CG 3.18Å; K145-Q149 PolarHBondContact O-N 3.36Å; D146-Q149 PolarHBondContact O-N 3.26Å; M147-Q149 VanDerWaalsContact C-N 3.3Å; M147-Q149 PolarHBondContact O-N 3.44Å; Q149-I151 VanDerWaalsContact C-N 3.33Å; Q149-I151 PolarHBondContact O-N 2.98Å; Q149-G152 PolarHBondContact O-N 3.47Å; Q149-G152 VanDerWaalsContact O-N 3.15Å |
| 150 | R | 98.2 | Very high | 98.5 | Very high | 186 Ų | 186 | 55.2 Ų | 55.2 | 70% | 0.702 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -57.4 | -42.1 | -179.7 | -178.5 | 179.3 | 177.8 | -174.8 | -2.8 | 112.8 | D146 M147 | D146-R150 WeakPolarHBondContact O-CB 3.21Å; D146-R150 PolarHBondContact O-N 2.81Å; M147-R150 WeakPolarHBondContact O-CB 3.45Å; M147-R150 PolarHBondContact O-N 3.13Å; M147-R150 VanDerWaalsContact O-N 3.16Å |
| 151 | I | 98.2 | Very high | 98.5 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -85.4 | -11.2 | -178.6 | 71 | 175.2 | 0 | 0 | 0 | 113.5 | M82 I95 P96 T100 K104 I112 L114 M147 Q149 A153 | M82-I151 HydrophobicContact SD-CD1 3.95Å; I95-I151 HydrophobicContact CG2-CD1 3.81Å; I95-I151 HydrophobicContact CG2-CG2 4.07Å; P96-I151 HydrophobicContact CB-CG2 4.35Å; T100-I151 HydrophobicContact CG2-CB 4.05Å; T100-I151 HydrophobicContact CG2-CG2 4.23Å; T100-I151 WeakPolarHBondContact OG1-CG2 3.26Å; K104-I151 PolarHBondContact NZ-O 3.22Å; I112-I151 HydrophobicContact CG2-CD1 4.46Å; L114-I151 HydrophobicContact CD1-CD1 4.33Å; M147-I151 WeakPolarHBondContact O-CG1 3.38Å; M147-I151 PolarHBondContact O-N 2.8Å; M147-I151 HydrophobicContact SD-CG2 4.05Å; Q149-I151 VanDerWaalsContact C-N 3.33Å; Q149-I151 PolarHBondContact O-N 2.98Å; I151-A153 HydrophobicContact CD1-CB 4.14Å; I151-A153 HydrophobicContact CG1-CB 3.96Å |
| 152 | G | 97.8 | Very high | 98.4 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 63% | 0.629 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.2 | 36.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A148 Q149 | A148-G152 PolarHBondContact O-N 3.26Å; Q149-G152 PolarHBondContact O-N 3.47Å; Q149-G152 VanDerWaalsContact O-N 3.15Å |
| 153 | A | 98.4 | Very high | 98.4 | Very high | 20 Ų | 20 | 55.5 Ų | 55.5 | 17% | 0.165 | 28% | 0.283 | C | S | . | . | trans | -65.5 | 150.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.8 | I112 L114 A148 I151 G155 | I112-A153 CarbonylContact O-C 3.56Å; I112-A153 WeakPolarHBondContact O-CA 3.45Å; I112-A153 WeakPolarHBondContact O-CB 3.49Å; L114-A153 HydrophobicContact CB-CB 4.3Å; A148-A153 HydrophobicContact CB-CB 4.02Å; A148-A153 PolarHBondContact O-N 2.86Å; I151-A153 HydrophobicContact CD1-CB 4.14Å; I151-A153 HydrophobicContact CG1-CB 3.96Å; A153-G155 PolarHBondContact O-N 2.76Å | ||
| 154 | F | 98.1 | Very high | 98.3 | Very high | 88 Ų | 88 | 56.1 Ų | 56.1 | 39% | 0.386 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -65.8 | -31.8 | 173.6 | 178.4 | -85.2 | 0 | 0 | 0 | 111.7 | P111 I112 I113 M173 A177 | P111-F154 HydrophobicContact CB-CB 4.19Å; I112-F154 WeakPolarHBondContact O-CB 3.33Å; I112-F154 PolarHBondContact O-N 3.4Å; I113-F154 HydrophobicContact CD1-CB 3.88Å; I113-F154 HydrophobicContact CD1-CD1 3.61Å; I113-F154 HydrophobicContact CD1-CG 4.1Å; F154-M173 HydrophobicContact CD1-CG 4.23Å; F154-M173 HydrophobicContact CE1-CG 4.18Å; F154-A177 HydrophobicContact CD1-CB 3.7Å; F154-A177 HydrophobicContact CD2-CB 3.97Å; F154-A177 HydrophobicContact CE1-CB 3.76Å; F154-A177 HydrophobicContact CE2-CB 4.03Å; F154-A177 HydrophobicContact CG-CB 3.81Å; F154-A177 HydrophobicContact CZ-CB 3.93Å |
| 155 | G | 98 | Very high | 98.3 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 17% | 0.165 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -170.5 | 169.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L114 A153 | L114-G155 PolarHBondContact N-O 3.35Å; A153-G155 PolarHBondContact O-N 2.76Å |
| 156 | Y | 98.8 | Very high | 98.3 | Very high | 33 Ų | 33 | 55.1 Ų | 55.1 | 13% | 0.129 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 134.7 | 175.2 | 174.5 | -122.1 | 0 | 0 | 0 | 109.9 | F84 L114 K145 A148 E158 | F84-Y156 AromaticContact CE1-CE2 3.75Å; F84-Y156 HydrophobicContact CE1-CE2 3.75Å; F84-Y156 AromaticContact CZ-CE2 3.88Å; F84-Y156 HydrophobicContact CZ-CE2 3.88Å; L114-Y156 HydrophobicContact CB-CD2 4.1Å; L114-Y156 HydrophobicContact CD2-CD2 3.99Å; L114-Y156 HydrophobicContact CD2-CE2 4.43Å; L114-Y156 HydrophobicContact CG-CD2 3.97Å; L114-Y156 HydrophobicContact CG-CE2 4.42Å; L114-Y156 WeakPolarHBondContact O-CA 3.42Å; L114-Y156 WeakPolarHBondContact O-CD2 3.24Å; K145-Y156 HydrophobicContact CB-CD1 4.35Å; K145-Y156 HydrophobicContact CG-CD1 3.61Å; K145-Y156 HydrophobicContact CG-CE1 4.1Å; A148-Y156 HydrophobicContact CB-CG 4.44Å; Y156-E158 HydrophobicContact CE1-CG 3.94Å; Y156-E158 HydrophobicContact CE2-CG 4.29Å; Y156-E158 WeakPolarHBondContact OH-CG 3.41Å; Y156-E158 PolarHBondContact OH-OE1 3.3Å |
| 157 | L | 98.8 | Very high | 98.3 | Very high | 39 Ų | 39 | 50.8 Ų | 50.8 | 20% | 0.204 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 155.9 | 173 | -73 | 170.2 | 0 | 0 | 0 | 110.4 | L114 V115 G116 E169 V170 M173 | L114-L157 PolarHBondContact O-N 2.79Å; L114-L157 VanDerWaalsContact O-N 3.08Å; V115-L157 CarbonylContact C-O 3.42Å; V115-L157 WeakPolarHBondContact CA-O 3.25Å; G116-L157 PolarHBondContact N-O 3.41Å; L157-E169 HydrophobicContact CD1-CB 4.44Å; L157-E169 WeakPolarHBondContact CD1-O 3.14Å; L157-V170 HydrophobicContact CB-CG2 3.88Å; L157-V170 HydrophobicContact CD1-CB 4.41Å; L157-V170 HydrophobicContact CD1-CG2 4.07Å; L157-M173 HydrophobicContact CD1-CB 3.7Å; L157-M173 HydrophobicContact CD1-CE 3.63Å; L157-M173 HydrophobicContact CD1-CG 4.29Å; L157-M173 HydrophobicContact CD1-SD 3.66Å; L157-M173 HydrophobicContact CD2-CE 3.89Å; L157-M173 HydrophobicContact CG-CE 3.64Å; L157-M173 HydrophobicContact CG-SD 3.89Å |
| 158 | E | 98.8 | Very high | 98.2 | Very high | 24 Ų | 24 | 56.7 Ų | 56.7 | 11% | 0.112 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 143.8 | 171.6 | -63 | 176 | 177 | 0 | 0 | 109.2 | I86 G116 K119 R122 S141 Y156 | I86-E158 HydrophobicContact CD1-CB 4.25Å; I86-E158 HydrophobicContact CD1-CG 4.11Å; G116-E158 VanDerWaalsContact O-CA 3.28Å; G116-E158 WeakPolarHBondContact O-CA 3.15Å; K119-E158 HydrophobicContact CB-CB 4.49Å; K119-E158 HydrophobicContact CD-CB 3.9Å; K119-E158 HydrophobicContact CG-CB 4.31Å; R122-E158 IonicContact CZ-OE1 2.7Å; R122-E158 IonicContact CZ-OE2 3.24Å; R122-E158 IonicContact NH1-OE1 3.2Å; R122-E158 PolarHBondContact NH1-OE1 3.21Å; R122-E158 IonicContact NH1-OE2 2.83Å; R122-E158 PolarHBondContact NH1-OE2 2.96Å; R122-E158 IonicContact NH2-OE1 3.03Å; R122-E158 PolarHBondContact NH2-OE1 2.7Å; R122-E158 IonicContact NH2-OE2 2.72Å; R122-E158 PolarHBondContact NH2-OE2 3.15Å; S141-E158 WeakPolarHBondContact CA-OE1 3.03Å; S141-E158 VanDerWaalsContact CB-OE1 3.26Å; S141-E158 WeakPolarHBondContact CB-OE1 3.37Å; S141-E158 PolarHBondContact OG-OE1 2.97Å; S141-E158 PolarHBondContact OG-OE2 3.4Å; Y156-E158 HydrophobicContact CE1-CG 3.94Å; Y156-E158 HydrophobicContact CE2-CG 4.29Å; Y156-E158 WeakPolarHBondContact OH-CG 3.41Å; Y156-E158 PolarHBondContact OH-OE1 3.3Å |
| 159 | C | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -146.9 | 161.8 | 176.4 | 64.6 | 0 | 0 | 0 | 0 | 112 | G116 N117 K118 K119 D165 V167 V170 | G116-C159 PolarHBondContact O-N 3Å; N117-C159 CarbonylContact C-O 3.16Å; N117-C159 PolarHBondContact OD1-SG 2.77Å; N117-C159 VanDerWaalsContact OD1-SG 3.34Å; K118-C159 PolarHBondContact N-O 3.13Å; K118-C159 VanDerWaalsContact N-O 3.08Å; K119-C159 WeakPolarHBondContact CB-O 3.22Å; K119-C159 PolarHBondContact N-O 3Å; K119-C159 VanDerWaalsContact N-O 3.1Å; C159-D165 CarbonylContact C-O 3.56Å; C159-D165 WeakPolarHBondContact CA-O 3.29Å; C159-D165 VanDerWaalsContact CB-O 3.24Å; C159-D165 WeakPolarHBondContact CB-O 3.46Å; C159-V167 HydrophobicContact CB-CG2 4.44Å; C159-V170 HydrophobicContact CB-CG2 4.17Å | ||
| 160 | S | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.007 | 27% | 0.27 | C | S | . | . | trans | -123.1 | 111.7 | 163.7 | 174.5 | 0 | 0 | 0 | 0 | 108.9 | D120 K162 T163 K164 D165 | D120-S160 VanDerWaalsContact CG-OG 3.25Å; D120-S160 WeakPolarHBondContact OD1-CB 3.34Å; D120-S160 PolarHBondContact OD1-OG 2.89Å; S160-K162 PolarHBondContact O-N 3.5Å; S160-K162 PolarHBondContact OG-N 3.16Å; S160-T163 VanDerWaalsContact CB-OG1 3.25Å; S160-T163 WeakPolarHBondContact CB-OG1 3.36Å; S160-T163 PolarHBondContact O-N 2.96Å; S160-T163 PolarHBondContact OG-N 2.97Å; S160-T163 VanDerWaalsContact OG-N 3.15Å; S160-T163 PolarHBondContact OG-OG1 3.41Å; S160-K164 CarbonylContact O-C 3.59Å; S160-K164 VanDerWaalsContact O-CA 3.22Å; S160-K164 WeakPolarHBondContact O-CA 3.49Å; S160-K164 PolarHBondContact O-N 3.18Å; S160-D165 PolarHBondContact N-O 3.26Å; S160-D165 PolarHBondContact O-N 2.91Å | ||
| 161 | A | 98.1 | Very high | 98.3 | Very high | 10 Ų | 10 | 45 Ų | 45 | 8% | 0.083 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -31.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C20 V24 F30 | C20-A161 HydrophobicContact CB-CB 3.98Å; V24-A161 HydrophobicContact CB-CB 4.38Å; V24-A161 HydrophobicContact CG2-CB 4.05Å; V24-A161 WeakPolarHBondContact CG2-O 3.41Å; F30-A161 HydrophobicContact CD2-CB 4.16Å; F30-A161 HydrophobicContact CE2-CB 4.03Å |
| 162 | K | 97 | Very high | 98.3 | Very high | 139 Ų | 139 | 47.1 Ų | 47.1 | 60% | 0.604 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -42.1 | -178.1 | -172.3 | 178.9 | -179.3 | -177.7 | 0 | 112.5 | F30 S160 | F30-K162 HydrophobicContact CD2-CB 4.26Å; F30-K162 HydrophobicContact CE2-CB 3.94Å; F30-K162 HydrophobicContact CZ-CB 4.32Å; S160-K162 PolarHBondContact O-N 3.5Å; S160-K162 PolarHBondContact OG-N 3.16Å |
| 163 | T | 97.4 | Very high | 98.3 | Very high | 84 Ų | 84 | 46.2 Ų | 46.2 | 52% | 0.515 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -3.1 | 178.2 | 67.7 | 0 | 0 | 0 | 0 | 113.3 | D120 S160 D165 | D120-T163 HydrophobicContact CB-CG2 4.04Å; S160-T163 VanDerWaalsContact CB-OG1 3.25Å; S160-T163 WeakPolarHBondContact CB-OG1 3.36Å; S160-T163 PolarHBondContact O-N 2.96Å; S160-T163 PolarHBondContact OG-N 2.97Å; S160-T163 VanDerWaalsContact OG-N 3.15Å; S160-T163 PolarHBondContact OG-OG1 3.41Å; T163-D165 PolarHBondContact O-N 3.2Å; T163-D165 WeakPolarHBondContact OG1-CB 3.47Å; T163-D165 PolarHBondContact OG1-N 3.31Å |
| 164 | K | 97.9 | Very high | 98.3 | Very high | 95 Ų | 95 | 45.3 Ų | 45.3 | 41% | 0.413 | 22% | 0.218 | S | C | . | . | trans | 64.2 | 3.9 | -170.9 | -51.2 | -177.8 | 177 | -173.3 | 0 | 114.7 | V24 D28 S160 G166 V167 | V24-K164 HydrophobicContact CG1-CG 3.97Å; D28-K164 WeakPolarHBondContact O-CE 3.43Å; D28-K164 PolarHBondContact O-NZ 3.37Å; D28-K164 WeakPolarHBondContact OD1-CE 3.4Å; D28-K164 IonicContact OD1-NZ 2.63Å; D28-K164 PolarHBondContact OD1-NZ 2.87Å; D28-K164 IonicContact OD2-NZ 3.53Å; D28-K164 PolarHBondContact OD2-NZ 3.03Å; S160-K164 CarbonylContact O-C 3.59Å; S160-K164 VanDerWaalsContact O-CA 3.22Å; S160-K164 WeakPolarHBondContact O-CA 3.49Å; S160-K164 PolarHBondContact O-N 3.18Å; K164-G166 PolarHBondContact O-N 3.28Å; K164-V167 PolarHBondContact O-N 2.46Å | ||
| 165 | D | 98.5 | Very high | 98.3 | Very high | 70 Ų | 70 | 41.1 Ų | 41.1 | 37% | 0.374 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 127.8 | 178.5 | -179.5 | 35.2 | 0 | 0 | 0 | 111 | K119 C159 S160 T163 V167 | K119-D165 WeakPolarHBondContact CD-OD2 2.92Å; K119-D165 WeakPolarHBondContact CE-OD2 3.18Å; K119-D165 IonicContact NZ-OD2 3.94Å; K119-D165 PolarHBondContact NZ-OD2 2.97Å; C159-D165 CarbonylContact C-O 3.56Å; C159-D165 WeakPolarHBondContact CA-O 3.29Å; C159-D165 VanDerWaalsContact CB-O 3.24Å; C159-D165 WeakPolarHBondContact CB-O 3.46Å; S160-D165 PolarHBondContact N-O 3.26Å; S160-D165 PolarHBondContact O-N 2.91Å; T163-D165 PolarHBondContact O-N 3.2Å; T163-D165 WeakPolarHBondContact OG1-CB 3.47Å; T163-D165 PolarHBondContact OG1-N 3.31Å; D165-V167 PolarHBondContact O-N 3.22Å; D165-V167 VanDerWaalsContact O-N 3.15Å |
| 166 | G | 98.3 | Very high | 98.2 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 9% | 0.093 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.3 | -1.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | K164 E169 V170 | K164-G166 PolarHBondContact O-N 3.28Å; G166-E169 WeakPolarHBondContact CA-OE2 3.43Å; G166-V170 WeakPolarHBondContact O-CG2 3.41Å; G166-V170 PolarHBondContact O-N 3.41Å |
| 167 | V | 98.5 | Very high | 98.2 | Very high | 8 Ų | 8 | 42.5 Ų | 42.5 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.9 | -50.7 | -175.2 | 171.7 | 0 | 0 | 0 | 0 | 110.4 | L21 V24 F25 C159 K164 D165 E169 V170 F171 | L21-V167 HydrophobicContact CD1-CB 4.39Å; L21-V167 HydrophobicContact CD1-CG1 3.99Å; L21-V167 HydrophobicContact CD1-CG2 4.07Å; V24-V167 HydrophobicContact CG1-CG1 4.29Å; V24-V167 HydrophobicContact CG1-CG2 4.27Å; F25-V167 HydrophobicContact CB-CG1 3.93Å; C159-V167 HydrophobicContact CB-CG2 4.44Å; K164-V167 PolarHBondContact O-N 2.46Å; D165-V167 PolarHBondContact O-N 3.22Å; D165-V167 VanDerWaalsContact O-N 3.15Å; V167-E169 VanDerWaalsContact C-N 3.32Å; V167-E169 PolarHBondContact O-N 3.46Å; V167-V170 WeakPolarHBondContact O-CB 3.22Å; V167-V170 PolarHBondContact O-N 2.58Å; V167-F171 HydrophobicContact CG1-CD2 4.39Å; V167-F171 HydrophobicContact CG1-CE2 4.11Å; V167-F171 WeakPolarHBondContact O-CD2 3.34Å |
| 168 | R | 97.6 | Very high | 98 | Very high | 142 Ų | 142 | 40.7 Ų | 40.7 | 54% | 0.536 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -62.9 | -41.3 | -176.8 | -176.1 | 176.6 | 177.5 | 114.9 | 2.6 | 111.5 | V170 F171 E172 | R168-V170 VanDerWaalsContact C-N 3.27Å; R168-V170 PolarHBondContact O-N 2.8Å; R168-F171 PolarHBondContact O-N 2.87Å; R168-F171 VanDerWaalsContact O-N 3.13Å; R168-E172 HydrophobicContact CG-CG 4.2Å; R168-E172 IonicContact CZ-OE1 2.7Å; R168-E172 IonicContact NE-OE1 3.43Å; R168-E172 PolarHBondContact NE-OE1 3.24Å; R168-E172 IonicContact NH2-OE1 3.37Å; R168-E172 WeakPolarHBondContact O-CG 3.47Å; R168-E172 PolarHBondContact O-N 3.06Å |
| 169 | E | 98.6 | Very high | 97.8 | Very high | 99 Ų | 99 | 40.6 Ų | 40.6 | 46% | 0.463 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.7 | -37.3 | -179 | -66.4 | 81 | 172.9 | 0 | 0 | 111.9 | L157 G166 V167 E172 M173 | L157-E169 HydrophobicContact CD1-CB 4.44Å; L157-E169 WeakPolarHBondContact CD1-O 3.14Å; G166-E169 WeakPolarHBondContact CA-OE2 3.43Å; V167-E169 VanDerWaalsContact C-N 3.32Å; V167-E169 PolarHBondContact O-N 3.46Å; E169-E172 PolarHBondContact O-N 3.26Å; E169-M173 WeakPolarHBondContact O-CB 3.38Å; E169-M173 PolarHBondContact O-N 3.09Å |
| 170 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.6 | -50.4 | 174.2 | 169.9 | 0 | 0 | 0 | 0 | 111.1 | L21 L81 V115 L157 C159 G166 V167 R168 M173 A174 | L21-V170 HydrophobicContact CD2-CG1 4.39Å; L81-V170 HydrophobicContact CD1-CG1 3.79Å; L81-V170 HydrophobicContact CD2-CG1 3.84Å; L81-V170 HydrophobicContact CG-CG1 4.5Å; V115-V170 HydrophobicContact CG1-CG1 4.38Å; V115-V170 HydrophobicContact CG1-CG2 3.98Å; V115-V170 HydrophobicContact CG2-CG1 3.82Å; V115-V170 HydrophobicContact CG2-CG2 4.42Å; L157-V170 HydrophobicContact CB-CG2 3.88Å; L157-V170 HydrophobicContact CD1-CB 4.41Å; L157-V170 HydrophobicContact CD1-CG2 4.07Å; C159-V170 HydrophobicContact CB-CG2 4.17Å; G166-V170 WeakPolarHBondContact O-CG2 3.41Å; G166-V170 PolarHBondContact O-N 3.41Å; V167-V170 WeakPolarHBondContact O-CB 3.22Å; V167-V170 PolarHBondContact O-N 2.58Å; R168-V170 VanDerWaalsContact C-N 3.27Å; R168-V170 PolarHBondContact O-N 2.8Å; V170-M173 PolarHBondContact O-N 2.53Å; V170-A174 WeakPolarHBondContact O-CB 3.42Å; V170-A174 PolarHBondContact O-N 3.43Å |
| 171 | F | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.7 | -31.2 | -178.1 | -66.1 | -86.6 | 0 | 0 | 0 | 112.6 | L8 L21 L22 F25 I46 L55 L57 L81 V167 R168 T175 | L8-F171 HydrophobicContact CD1-CD1 4Å; L8-F171 HydrophobicContact CD1-CE1 4.22Å; L21-F171 HydrophobicContact CD1-CE2 3.89Å; L21-F171 HydrophobicContact CD1-CZ 4.43Å; L21-F171 HydrophobicContact CG-CE2 3.99Å; L21-F171 HydrophobicContact CG-CZ 4.03Å; L22-F171 HydrophobicContact CD2-CE1 3.91Å; L22-F171 HydrophobicContact CD2-CZ 3.9Å; F25-F171 HydrophobicContact CB-CD2 3.73Å; F25-F171 HydrophobicContact CB-CE1 4.36Å; F25-F171 HydrophobicContact CB-CE2 3.28Å; F25-F171 HydrophobicContact CB-CG 4.47Å; F25-F171 HydrophobicContact CB-CZ 3.62Å; F25-F171 HydrophobicContact CD1-CB 4.49Å; F25-F171 AromaticContact CD1-CD1 3.54Å; F25-F171 HydrophobicContact CD1-CD1 3.54Å; F25-F171 AromaticContact CD1-CD2 3.79Å; F25-F171 HydrophobicContact CD1-CD2 3.79Å; F25-F171 AromaticContact CD1-CE1 3.54Å; F25-F171 HydrophobicContact CD1-CE1 3.54Å; F25-F171 AromaticContact CD1-CE2 3.85Å; F25-F171 HydrophobicContact CD1-CE2 3.85Å; F25-F171 AromaticContact CD1-CG 3.66Å; F25-F171 HydrophobicContact CD1-CG 3.66Å; F25-F171 AromaticContact CD1-CZ 3.7Å; F25-F171 HydrophobicContact CD1-CZ 3.7Å; F25-F171 HydrophobicContact CD2-CB 4.03Å; F25-F171 HydrophobicContact CD2-CD1 4.39Å; F25-F171 AromaticContact CD2-CD2 3.33Å; F25-F171 HydrophobicContact CD2-CD2 3.33Å; F25-F171 AromaticContact CD2-CE2 3.87Å; F25-F171 HydrophobicContact CD2-CE2 3.87Å; F25-F171 AromaticContact CD2-CG 3.66Å; F25-F171 HydrophobicContact CD2-CG 3.66Å; F25-F171 HydrophobicContact CE1-CB 4.08Å; F25-F171 AromaticContact CE1-CD1 3.54Å; F25-F171 HydrophobicContact CE1-CD1 3.54Å; F25-F171 HydrophobicContact CE1-CD2 4.22Å; F25-F171 AromaticContact CE1-CE1 3.99Å; F25-F171 HydrophobicContact CE1-CE1 3.99Å; F25-F171 AromaticContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE2-CB 3.57Å; F25-F171 HydrophobicContact CE2-CD1 4.4Å; F25-F171 AromaticContact CE2-CD2 3.83Å; F25-F171 HydrophobicContact CE2-CD2 3.83Å; F25-F171 AromaticContact CE2-CG 3.68Å; F25-F171 HydrophobicContact CE2-CG 3.68Å; F25-F171 HydrophobicContact CG-CB 4.46Å; F25-F171 AromaticContact CG-CD1 3.98Å; F25-F171 HydrophobicContact CG-CD1 3.98Å; F25-F171 AromaticContact CG-CD2 3.31Å; F25-F171 HydrophobicContact CG-CD2 3.31Å; F25-F171 AromaticContact CG-CE1 4Å; F25-F171 HydrophobicContact CG-CE1 4Å; F25-F171 AromaticContact CG-CE2 3.38Å; F25-F171 HydrophobicContact CG-CE2 3.38Å; F25-F171 AromaticContact CG-CG 3.65Å; F25-F171 HydrophobicContact CG-CG 3.65Å; F25-F171 AromaticContact CG-CZ 3.71Å; F25-F171 HydrophobicContact CG-CZ 3.71Å; F25-F171 HydrophobicContact CZ-CB 3.6Å; F25-F171 HydrophobicContact CZ-CD1 4Å; F25-F171 HydrophobicContact CZ-CD2 4.25Å; F25-F171 AromaticContact CZ-CG 3.69Å; F25-F171 HydrophobicContact CZ-CG 3.69Å; I46-F171 HydrophobicContact CD1-CB 4Å; L55-F171 HydrophobicContact CD1-CB 4.44Å; L55-F171 HydrophobicContact CD1-CD1 4.16Å; L57-F171 HydrophobicContact CD2-CD1 4.31Å; L57-F171 HydrophobicContact CD2-CE1 3.99Å; L81-F171 HydrophobicContact CD1-CE1 4.07Å; L81-F171 HydrophobicContact CD1-CZ 4.29Å; V167-F171 HydrophobicContact CG1-CD2 4.39Å; V167-F171 HydrophobicContact CG1-CE2 4.11Å; V167-F171 WeakPolarHBondContact O-CD2 3.34Å; R168-F171 PolarHBondContact O-N 2.87Å; R168-F171 VanDerWaalsContact O-N 3.13Å; F171-T175 WeakPolarHBondContact O-CB 3.44Å; F171-T175 PolarHBondContact O-N 3.28Å; F171-T175 PolarHBondContact O-OG1 3.35Å |
| 172 | E | 98.3 | Very high | 94.5 | Very high | 52 Ų | 52 | 53 Ų | 53 | 24% | 0.243 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.6 | -45.6 | 171.9 | -72.4 | -175.3 | -179.4 | 0 | 0 | 111.6 | I46 V48 R168 E169 T175 R176 | I46-E172 HydrophobicContact CD1-CG 3.82Å; V48-E172 HydrophobicContact CG2-CB 4.4Å; V48-E172 HydrophobicContact CG2-CG 4.19Å; R168-E172 HydrophobicContact CG-CG 4.2Å; R168-E172 IonicContact CZ-OE1 2.7Å; R168-E172 IonicContact NE-OE1 3.43Å; R168-E172 PolarHBondContact NE-OE1 3.24Å; R168-E172 IonicContact NH2-OE1 3.37Å; R168-E172 WeakPolarHBondContact O-CG 3.47Å; R168-E172 PolarHBondContact O-N 3.06Å; E169-E172 PolarHBondContact O-N 3.26Å; E172-T175 PolarHBondContact O-N 3.15Å; E172-R176 WeakPolarHBondContact O-CB 3.37Å; E172-R176 PolarHBondContact O-N 3.24Å |
| 173 | M | 98.5 | Very high | 92.8 | Very high | 42 Ų | 42 | 53 Ų | 53 | 21% | 0.207 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.7 | -176.1 | 179.6 | -73.6 | 0 | 0 | 111.6 | I113 F154 L157 E169 V170 T175 R176 A177 | I113-M173 HydrophobicContact CD1-CG 3.91Å; I113-M173 HydrophobicContact CD1-SD 4.2Å; I113-M173 HydrophobicContact CG2-SD 3.96Å; F154-M173 HydrophobicContact CD1-CG 4.23Å; F154-M173 HydrophobicContact CE1-CG 4.18Å; L157-M173 HydrophobicContact CD1-CB 3.7Å; L157-M173 HydrophobicContact CD1-CE 3.63Å; L157-M173 HydrophobicContact CD1-CG 4.29Å; L157-M173 HydrophobicContact CD1-SD 3.66Å; L157-M173 HydrophobicContact CD2-CE 3.89Å; L157-M173 HydrophobicContact CG-CE 3.64Å; L157-M173 HydrophobicContact CG-SD 3.89Å; E169-M173 WeakPolarHBondContact O-CB 3.38Å; E169-M173 PolarHBondContact O-N 3.09Å; V170-M173 PolarHBondContact O-N 2.53Å; M173-T175 VanDerWaalsContact C-N 3.35Å; M173-T175 PolarHBondContact O-N 2.92Å; M173-R176 PolarHBondContact O-N 3.38Å; M173-A177 WeakPolarHBondContact O-CB 3.36Å; M173-A177 PolarHBondContact O-N 2.83Å |
| 174 | A | 98.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -44.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | L8 V79 L81 I113 V170 R176 A177 A178 | L8-A174 HydrophobicContact CD1-CB 3.9Å; V79-A174 HydrophobicContact CG1-CB 4.26Å; V79-A174 HydrophobicContact CG2-CB 3.98Å; L81-A174 HydrophobicContact CD2-CB 3.82Å; I113-A174 HydrophobicContact CG1-CB 3.95Å; V170-A174 WeakPolarHBondContact O-CB 3.42Å; V170-A174 PolarHBondContact O-N 3.43Å; A174-R176 PolarHBondContact O-N 2.55Å; A174-A177 PolarHBondContact O-N 3.08Å; A174-A178 WeakPolarHBondContact O-CB 3.24Å; A174-A178 PolarHBondContact O-N 3.26Å |
| 175 | T | 97.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 176.4 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | I46 V48 V53 F171 E172 M173 A177 A178 L179 | I46-T175 HydrophobicContact CG2-CG2 4.2Å; V48-T175 HydrophobicContact CB-CG2 3.9Å; V48-T175 HydrophobicContact CG1-CG2 4.45Å; V48-T175 HydrophobicContact CG2-CG2 3.67Å; V53-T175 HydrophobicContact CB-CG2 4.01Å; V53-T175 HydrophobicContact CG1-CG2 4.02Å; V53-T175 HydrophobicContact CG2-CG2 3.78Å; F171-T175 WeakPolarHBondContact O-CB 3.44Å; F171-T175 PolarHBondContact O-N 3.28Å; F171-T175 PolarHBondContact O-OG1 3.35Å; E172-T175 PolarHBondContact O-N 3.15Å; M173-T175 VanDerWaalsContact C-N 3.35Å; M173-T175 PolarHBondContact O-N 2.92Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 3.31Å; T175-A178 PolarHBondContact O-N 3.18Å; T175-L179 HydrophobicContact CG2-CD1 4.05Å; T175-L179 HydrophobicContact CG2-CG 4.42Å; T175-L179 VanDerWaalsContact O-CG 3.27Å; T175-L179 WeakPolarHBondContact O-CG 3.41Å; T175-L179 PolarHBondContact O-N 2.94Å |
| 176 | R | 97.3 | Very high | 86.8 | Confident | 79 Ų | 79 | 68.1 Ų | 68.1 | 30% | 0.298 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 176.7 | -169.1 | 174.8 | -66.9 | 112.3 | -1.2 | 111.4 | V48 D49 E172 M173 A174 L179 Q180 | V48-R176 HydrophobicContact CG1-CB 4.35Å; D49-R176 IonicContact OD1-CZ 3.95Å; D49-R176 IonicContact OD1-NE 3.47Å; D49-R176 PolarHBondContact OD1-NE 2.96Å; D49-R176 IonicContact OD1-NH2 2.78Å; D49-R176 PolarHBondContact OD1-NH2 3.16Å; D49-R176 IonicContact OD2-CZ 3.08Å; D49-R176 IonicContact OD2-NE 3.06Å; D49-R176 PolarHBondContact OD2-NE 2.94Å; D49-R176 IonicContact OD2-NH2 3.7Å; E172-R176 WeakPolarHBondContact O-CB 3.37Å; E172-R176 PolarHBondContact O-N 3.24Å; M173-R176 PolarHBondContact O-N 3.38Å; A174-R176 PolarHBondContact O-N 2.55Å; R176-L179 PolarHBondContact O-N 3.4Å; R176-Q180 WeakPolarHBondContact O-CG 3.48Å; R176-Q180 PolarHBondContact O-N 2.7Å; R176-Q180 VanDerWaalsContact O-N 3.16Å |
| 177 | A | 97.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.5 | -48.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V79 P111 I113 F154 M173 A174 T175 L179 Q180 V181 | V79-A177 HydrophobicContact CG2-CB 4.42Å; P111-A177 HydrophobicContact CB-CB 3.96Å; P111-A177 HydrophobicContact CG-CB 4Å; I113-A177 HydrophobicContact CD1-CB 4.08Å; F154-A177 HydrophobicContact CD1-CB 3.7Å; F154-A177 HydrophobicContact CD2-CB 3.97Å; F154-A177 HydrophobicContact CE1-CB 3.76Å; F154-A177 HydrophobicContact CE2-CB 4.03Å; F154-A177 HydrophobicContact CG-CB 3.81Å; F154-A177 HydrophobicContact CZ-CB 3.93Å; M173-A177 WeakPolarHBondContact O-CB 3.36Å; M173-A177 PolarHBondContact O-N 2.83Å; A174-A177 PolarHBondContact O-N 3.08Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 3.31Å; A177-L179 VanDerWaalsContact C-N 3.28Å; A177-L179 PolarHBondContact O-N 3.38Å; A177-Q180 PolarHBondContact O-N 3.42Å; A177-Q180 VanDerWaalsContact O-N 3.15Å; A177-V181 PolarHBondContact O-N 3Å |
| 178 | A | 96.2 | Very high | 82.3 | Confident | 0 Ų | 0 | 81.5 Ų | 81.5 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.6 | -35.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K6 D78 V79 A174 T175 | K6-A178 HydrophobicContact CD-CB 4Å; K6-A178 VanDerWaalsContact CE-O 3.24Å; K6-A178 WeakPolarHBondContact CE-O 3.33Å; K6-A178 HydrophobicContact CG-CB 4.17Å; K6-A178 PolarHBondContact NZ-O 3.26Å; D78-A178 HydrophobicContact CB-CB 4.06Å; V79-A178 HydrophobicContact CB-CB 4.06Å; V79-A178 HydrophobicContact CG1-CB 4.03Å; A174-A178 WeakPolarHBondContact O-CB 3.24Å; A174-A178 PolarHBondContact O-N 3.26Å; T175-A178 PolarHBondContact O-N 3.18Å |
| 179 | L | 94 | Very high | 79.7 | Confident | 22 Ų | 22 | 77.7 Ų | 77.7 | 12% | 0.115 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -73.3 | -31.5 | 177.9 | -70.7 | 173.6 | 0 | 0 | 0 | 112.8 | I4 K51 V53 T175 R176 A177 | I4-L179 HydrophobicContact CD1-CD2 4.24Å; I4-L179 HydrophobicContact CG2-CD2 3.9Å; K51-L179 HydrophobicContact CD-CD1 4.26Å; V53-L179 HydrophobicContact CG2-CD1 4.19Å; V53-L179 HydrophobicContact CG2-CD2 4.36Å; T175-L179 HydrophobicContact CG2-CD1 4.05Å; T175-L179 HydrophobicContact CG2-CG 4.42Å; T175-L179 VanDerWaalsContact O-CG 3.27Å; T175-L179 WeakPolarHBondContact O-CG 3.41Å; T175-L179 PolarHBondContact O-N 2.94Å; R176-L179 PolarHBondContact O-N 3.4Å; A177-L179 VanDerWaalsContact C-N 3.28Å; A177-L179 PolarHBondContact O-N 3.38Å |
| 180 | Q | 88 | Confident | 77.1 | Confident | 94 Ų | 94 | 78.2 Ų | 78.2 | 44% | 0.439 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -72.1 | -37.9 | -179.8 | -73 | -178.2 | 16 | 0 | 0 | 113.1 | R176 A177 R182 K183 R184 | R176-Q180 WeakPolarHBondContact O-CG 3.48Å; R176-Q180 PolarHBondContact O-N 2.7Å; R176-Q180 VanDerWaalsContact O-N 3.16Å; A177-Q180 PolarHBondContact O-N 3.42Å; A177-Q180 VanDerWaalsContact O-N 3.15Å; Q180-R182 VanDerWaalsContact C-N 3.29Å; Q180-R182 PolarHBondContact O-N 2.97Å; Q180-K183 WeakPolarHBondContact O-CB 3.41Å; Q180-K183 PolarHBondContact O-N 2.96Å; Q180-R184 PolarHBondContact O-N 3.44Å |
| 181 | V | 75.1 | Confident | 74.6 | Confident | 41 Ų | 41 | 86.7 Ų | 86.7 | 25% | 0.248 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.7 | -39.1 | -179.5 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | P111 A177 K183 R184 K185 | P111-V181 HydrophobicContact CG-CG2 3.73Å; A177-V181 PolarHBondContact O-N 3Å; V181-K183 VanDerWaalsContact C-N 3.3Å; V181-K183 PolarHBondContact O-N 3.34Å; V181-R184 PolarHBondContact O-N 3.44Å; V181-R184 VanDerWaalsContact O-N 3.17Å; V181-K185 PolarHBondContact O-N 2.99Å |
| 182 | R | 63.1 | Low | 72 | Confident | 137 Ų | 137 | 94.4 Ų | 94.4 | 52% | 0.517 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.4 | -35 | 176.2 | -95.7 | -172.3 | 160.2 | -171 | -7.4 | 112.8 | Q180 R184 K185 K186 | Q180-R182 VanDerWaalsContact C-N 3.29Å; Q180-R182 PolarHBondContact O-N 2.97Å; R182-R184 VanDerWaalsContact C-N 3.32Å; R182-R184 PolarHBondContact O-N 3.13Å; R182-K185 PolarHBondContact O-N 3.37Å; R182-K186 PolarHBondContact O-N 3.46Å |
| 183 | K | 61 | Low | 69.1 | Low | 139 Ų | 139 | 102.9 Ų | 102.9 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.7 | -36.2 | 176.4 | -70.2 | -173.1 | 178.8 | 180 | 0 | 111.5 | Q180 V181 R187 | Q180-K183 WeakPolarHBondContact O-CB 3.41Å; Q180-K183 PolarHBondContact O-N 2.96Å; V181-K183 VanDerWaalsContact C-N 3.3Å; V181-K183 PolarHBondContact O-N 3.34Å; K183-R187 PolarHBondContact O-N 3.4Å |
| 184 | R | 57.9 | Low | 67.7 | Low | 213 Ų | 213 | 106 Ų | 106 | 80% | 0.804 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.6 | -46.3 | 174.6 | -80.1 | -177.5 | 165.3 | 174.1 | -3.6 | 112 | Q180 V181 R182 K186 R187 G188 | Q180-R184 PolarHBondContact O-N 3.44Å; V181-R184 PolarHBondContact O-N 3.44Å; V181-R184 VanDerWaalsContact O-N 3.17Å; R182-R184 VanDerWaalsContact C-N 3.32Å; R182-R184 PolarHBondContact O-N 3.13Å; R184-K186 VanDerWaalsContact C-N 3.34Å; R184-K186 PolarHBondContact O-N 3.05Å; R184-R187 PolarHBondContact O-N 3.43Å; R184-R187 VanDerWaalsContact O-N 3.13Å; R184-G188 PolarHBondContact O-N 2.68Å |
| 185 | K | 56 | Low | 66 | Low | 166 Ų | 166 | 111.5 Ų | 111.5 | 72% | 0.722 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.1 | -38.6 | 176.3 | -75.7 | -171.9 | 177.1 | -179.3 | 0 | 113.1 | V181 R182 R187 G188 | V181-K185 PolarHBondContact O-N 2.99Å; R182-K185 PolarHBondContact O-N 3.37Å; K185-R187 VanDerWaalsContact C-N 3.29Å; K185-R187 PolarHBondContact O-N 3.42Å; K185-G188 PolarHBondContact O-N 2.8Å |
| 186 | K | 53.8 | Low | 64.3 | Low | 187 Ų | 187 | 117.7 Ų | 117.7 | 81% | 0.813 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.4 | -22.2 | 176.5 | -78.3 | -168.8 | 174.6 | -169.9 | 0 | 114.5 | R182 R184 | R182-K186 PolarHBondContact O-N 3.46Å; R184-K186 VanDerWaalsContact C-N 3.34Å; R184-K186 PolarHBondContact O-N 3.05Å |
| 187 | R | 53.6 | Low | 62.3 | Low | 234 Ų | 234 | 120 Ų | 120 | 88% | 0.883 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -89 | -15.5 | 178.6 | -79.1 | -178.1 | 143.2 | 178.7 | -6.6 | 113.8 | K183 R184 K185 | K183-R187 PolarHBondContact O-N 3.4Å; R184-R187 PolarHBondContact O-N 3.43Å; R184-R187 VanDerWaalsContact O-N 3.13Å; K185-R187 VanDerWaalsContact C-N 3.29Å; K185-R187 PolarHBondContact O-N 3.42Å |
| 188 | G | 49.1 | Very low | 60.2 | Low | 65 Ų | 65 | 127.5 Ų | 127.5 | 67% | 0.67 | 63% | 0.63 | S | S | * | * | trans | -98.8 | 8.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R184 K185 C190 | R184-G188 PolarHBondContact O-N 2.68Å; K185-G188 PolarHBondContact O-N 2.8Å; G188-C190 PolarHBondContact O-N 2.9Å; G188-C190 VanDerWaalsContact O-N 3.11Å | ||
| 189 | G | 43.4 | Very low | 57.8 | Low | 61 Ų | 61 | 136 Ų | 136 | 63% | 0.629 | 67% | 0.672 | S | S | * | * | trans | -70.8 | 102.6 | 173 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q191 | G189-Q191 PolarHBondContact O-N 2.8Š| ||
| 190 | C | 42.8 | Very low | 55.2 | Low | 110 Ų | 110 | 144.1 Ų | 144.1 | 74% | 0.743 | 71% | 0.712 | S | S | * | * | trans | -50.4 | 119.3 | 171.8 | -158.2 | 0 | 0 | 0 | 0 | 109.8 | G188 L192 | G188-C190 PolarHBondContact O-N 2.9Å; G188-C190 VanDerWaalsContact O-N 3.11Å; C190-L192 PolarHBondContact O-N 3.44Å; C190-L192 VanDerWaalsContact O-N 3.15Å | ||
| 191 | Q | 47.2 | Very low | 52.6 | Low | 178 Ų | 178 | 148 Ų | 148 | 83% | 0.832 | 73% | 0.733 | S | S | * | * | trans | -70.9 | 100.2 | 160.7 | -84.2 | 177 | -28 | 0 | 0 | 106.6 | G189 L193 | G189-Q191 PolarHBondContact O-N 2.8Å; Q191-L193 PolarHBondContact O-N 2.63Å | ||
| 192 | L | 44 | Very low | 50.8 | Low | 163 Ų | 163 | 156.9 Ų | 156.9 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -72.5 | 102.2 | 161.3 | -75.9 | 161.2 | 0 | 0 | 0 | 106.7 | C190 | C190-L192 PolarHBondContact O-N 3.44Å; C190-L192 VanDerWaalsContact O-N 3.15Å | ||
| 193 | L | 37.5 | Very low | 49.7 | Very low | 230 Ų | 230 | 158.7 Ų | 158.7 | 100% | 1.204 | 80% | 0.796 | S | S | * | * | trans | -89.8 | 0 | 153.6 | -79.7 | 168.2 | 0 | 0 | 0 | 108.2 | Q191 | Q191-L193 PolarHBondContact O-N 2.63Š|
Retrieved 193 of 193 residues in 41.5 ms
(Link to these results)