| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 49.4 | Very low | 87.9 | Confident | 240 Ų | 240 | 61.3 Ų | 61.3 | 100% | 1.182 | 33% | 0.334 | S | S | * | . | 0 | 144.9 | 0 | -78.3 | -178 | -154.2 | 0 | 0 | 107.8 | A3 | M1-A3 PolarHBondContact O-N 3.33Š| |||
| 2 | A | 59.2 | Low | 88.8 | Confident | 100 Ų | 100 | 56.2 Ų | 56.2 | 83% | 0.826 | 31% | 0.306 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 130.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||
| 3 | A | 76.3 | Confident | 89.5 | Confident | 63 Ų | 63 | 53.5 Ų | 53.5 | 52% | 0.521 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 140.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | M1 R5 | M1-A3 PolarHBondContact O-N 3.33Å; A3-R5 PolarHBondContact O-N 2.99Å; A3-R5 VanDerWaalsContact O-N 3.13Å |
| 4 | I | 94.2 | Very high | 90 | Very high | 71 Ų | 71 | 52.1 Ų | 52.1 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 118 | 171.4 | -62.6 | 170.9 | 0 | 0 | 0 | 105.8 | K6 K51 V53 E54 L179 | I4-K6 HydrophobicContact CG2-CG 4.34Å; I4-K51 HydrophobicContact CD1-CB 4.3Å; I4-K51 HydrophobicContact CD1-CD 4.25Å; I4-K51 HydrophobicContact CD1-CG 4.48Å; I4-V53 HydrophobicContact CB-CG2 4.32Å; I4-V53 HydrophobicContact CG2-CG2 4.33Å; I4-V53 CarbonylContact O-C 3.59Å; I4-V53 VanDerWaalsContact O-CA 3.24Å; I4-V53 WeakPolarHBondContact O-CA 3.19Å; I4-V53 WeakPolarHBondContact O-CG1 3.22Å; I4-E54 PolarHBondContact O-N 3.27Å; I4-L179 HydrophobicContact CD1-CD2 4.41Å; I4-L179 HydrophobicContact CG2-CD2 3.81Å |
| 5 | R | 96.6 | Very high | 90.4 | Very high | 152 Ų | 152 | 52.1 Ų | 52.1 | 57% | 0.574 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.6 | 177.2 | -170.4 | 176.9 | 176.6 | 138.3 | -7.8 | 110.2 | A3 E54 | A3-R5 PolarHBondContact O-N 2.99Å; A3-R5 VanDerWaalsContact O-N 3.13Å; R5-E54 CarbonylContact C-O 3.53Å; R5-E54 WeakPolarHBondContact CA-O 3.24Å; R5-E54 WeakPolarHBondContact CD-OE1 3.24Å; R5-E54 HydrophobicContact CG-CB 4.44Å; R5-E54 IonicContact CZ-OE1 3.99Å; R5-E54 IonicContact NE-OE1 3.77Å; R5-E54 PolarHBondContact NE-OE1 3.24Å; R5-E54 IonicContact NH1-OE1 2.77Å; R5-E54 PolarHBondContact NH1-OE1 2.98Å |
| 6 | K | 97.7 | Very high | 90.8 | Very high | 23 Ų | 23 | 48.9 Ų | 48.9 | 10% | 0.1 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 134.9 | 177.7 | -70.1 | -64.3 | -179 | 167.9 | 0 | 111.2 | I4 V53 E54 L55 A56 D78 A178 | I4-K6 HydrophobicContact CG2-CG 4.34Å; K6-V53 HydrophobicContact CB-CG1 3.96Å; K6-V53 HydrophobicContact CG-CG1 3.82Å; K6-E54 PolarHBondContact N-O 2.76Å; K6-L55 HydrophobicContact CB-CD2 3.96Å; K6-L55 CarbonylContact O-C 3.58Å; K6-L55 WeakPolarHBondContact O-CA 3.25Å; K6-A56 PolarHBondContact O-N 3.09Å; K6-D78 WeakPolarHBondContact CA-OD2 3.3Å; K6-D78 HydrophobicContact CB-CB 4.41Å; K6-D78 HydrophobicContact CD-CB 3.7Å; K6-D78 WeakPolarHBondContact CD-OD1 3.34Å; K6-D78 IonicContact NZ-OD1 3.2Å; K6-D78 PolarHBondContact NZ-OD1 3.01Å; K6-A178 HydrophobicContact CB-CB 4.34Å; K6-A178 HydrophobicContact CD-CB 4Å; K6-A178 VanDerWaalsContact CE-O 3.27Å; K6-A178 WeakPolarHBondContact CE-O 3.45Å; K6-A178 HydrophobicContact CG-CB 4.13Å; K6-A178 PolarHBondContact NZ-O 3.41Å |
| 7 | K | 98.2 | Very high | 91.3 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 11% | 0.109 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.1 | 176 | 177.6 | 172 | 170.9 | 174.6 | 0 | 110.4 | V9 A56 W58 S73 P75 D78 V79 | K7-V9 HydrophobicContact CG-CG2 4.44Å; K7-A56 WeakPolarHBondContact CA-O 3.29Å; K7-W58 HydrophobicContact CD-CD2 4.49Å; K7-W58 VanDerWaalsContact CE-CE2 3.49Å; K7-W58 HydrophobicContact CG-CG 4.47Å; K7-S73 WeakPolarHBondContact CE-O 3.39Å; K7-S73 PolarHBondContact NZ-O 2.73Å; K7-P75 PolarHBondContact NZ-O 3.32Å; K7-D78 PolarHBondContact N-OD2 2.87Å; K7-D78 WeakPolarHBondContact O-CA 3.24Å; K7-D78 WeakPolarHBondContact O-CB 3.08Å; K7-D78 PolarHBondContact O-N 2.91Å; K7-V79 PolarHBondContact O-N 3.13Å |
| 8 | L | 98.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 127.6 | 174 | 179.8 | 158.5 | 0 | 0 | 0 | 108.4 | I10 L22 A56 L57 W58 V79 L81 F171 A174 | L8-I10 HydrophobicContact CD2-CB 4.43Å; L8-L22 HydrophobicContact CD2-CD2 4.4Å; L8-A56 PolarHBondContact N-O 2.74Å; L8-L57 HydrophobicContact CB-CD2 4.06Å; L8-L57 HydrophobicContact CD1-CD2 4.15Å; L8-L57 HydrophobicContact CD2-CD2 4.1Å; L8-L57 HydrophobicContact CG-CD2 4.35Å; L8-W58 PolarHBondContact O-N 3.14Å; L8-V79 WeakPolarHBondContact CA-O 3.27Å; L8-V79 HydrophobicContact CB-CG1 3.85Å; L8-V79 HydrophobicContact CD1-CG1 4.04Å; L8-V79 HydrophobicContact CG-CG1 3.92Å; L8-L81 HydrophobicContact CD1-CD1 3.96Å; L8-L81 HydrophobicContact CD1-CD2 4.5Å; L8-L81 HydrophobicContact CD1-CG 3.88Å; L8-L81 HydrophobicContact CD2-CB 4.41Å; L8-L81 HydrophobicContact CD2-CD1 3.94Å; L8-L81 HydrophobicContact CD2-CG 3.89Å; L8-L81 HydrophobicContact CG-CD1 4.41Å; L8-L81 HydrophobicContact CG-CG 4.07Å; L8-F171 HydrophobicContact CD1-CD1 3.94Å; L8-F171 HydrophobicContact CD1-CE1 4.07Å; L8-A174 HydrophobicContact CD1-CB 3.91Å |
| 9 | V | 98.8 | Very high | 92 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 132.7 | 170.9 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | K7 V11 W58 T60 S73 Y74 T77 V79 I80 L81 | K7-V9 HydrophobicContact CG-CG2 4.44Å; V9-V11 HydrophobicContact CG1-CG1 4.15Å; V9-W58 HydrophobicContact CB-CB 4.32Å; V9-W58 HydrophobicContact CG1-CB 4.42Å; V9-W58 HydrophobicContact CG2-CB 3.81Å; V9-W58 HydrophobicContact CG2-CG 4.2Å; V9-T60 HydrophobicContact CG1-CG2 3.81Å; V9-S73 WeakPolarHBondContact CG2-O 3.29Å; V9-Y74 HydrophobicContact CG1-CD1 3.99Å; V9-Y74 HydrophobicContact CG1-CE1 3.84Å; V9-T77 HydrophobicContact CB-CG2 4.05Å; V9-T77 HydrophobicContact CG2-CG2 3.75Å; V9-T77 VanDerWaalsContact CG2-OG1 3.24Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.28Å; V9-V79 PolarHBondContact N-O 2.9Å; V9-V79 VanDerWaalsContact N-O 3.16Å; V9-I80 HydrophobicContact CB-CD1 3.98Å; V9-I80 HydrophobicContact CG1-CD1 4.48Å; V9-I80 WeakPolarHBondContact O-CA 3.38Å; V9-L81 PolarHBondContact O-N 3.13Å |
| 10 | I | 98.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 134.4 | 176 | -168.1 | 164.6 | 0 | 0 | 0 | 110.1 | L8 K18 L21 L22 W58 D59 T60 L81 C83 | L8-I10 HydrophobicContact CD2-CB 4.43Å; I10-K18 HydrophobicContact CD1-CB 3.73Å; I10-K18 HydrophobicContact CD1-CG 4.07Å; I10-K18 HydrophobicContact CG1-CB 3.93Å; I10-K18 HydrophobicContact CG1-CD 4.04Å; I10-K18 HydrophobicContact CG1-CG 3.88Å; I10-K18 HydrophobicContact CG2-CB 4.15Å; I10-K18 HydrophobicContact CG2-CD 4.47Å; I10-L21 HydrophobicContact CD1-CD2 4.13Å; I10-L22 HydrophobicContact CD1-CD2 4.32Å; I10-L22 HydrophobicContact CD1-CG 4.31Å; I10-L22 HydrophobicContact CG2-CD1 3.63Å; I10-L22 HydrophobicContact CG2-CD2 4.4Å; I10-L22 HydrophobicContact CG2-CG 4.16Å; I10-W58 WeakPolarHBondContact CG2-O 3.37Å; I10-W58 PolarHBondContact N-O 3.36Å; I10-W58 VanDerWaalsContact N-O 3.09Å; I10-D59 HydrophobicContact CG2-CB 4.5Å; I10-T60 WeakPolarHBondContact O-CG2 3.39Å; I10-T60 PolarHBondContact O-OG1 3.41Å; I10-L81 CarbonylContact C-O 3.44Å; I10-L81 VanDerWaalsContact CA-O 3.31Å; I10-L81 WeakPolarHBondContact CA-O 3.39Å; I10-L81 HydrophobicContact CB-CB 4.15Å; I10-L81 HydrophobicContact CD1-CB 4.22Å; I10-L81 HydrophobicContact CD1-CD1 4.22Å; I10-L81 HydrophobicContact CG1-CB 3.83Å; I10-C83 VanDerWaalsContact CD1-SG 3.56Å |
| 11 | V | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 166.4 | -179.5 | -57.5 | 0 | 0 | 0 | 0 | 110.5 | V9 K18 Y74 I80 L81 M82 C83 W99 V103 | V9-V11 HydrophobicContact CG1-CG1 4.15Å; V11-K18 VanDerWaalsContact C-CD 3.48Å; V11-Y74 HydrophobicContact CG1-CE1 3.78Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.47Å; V11-I80 HydrophobicContact CG2-CG2 3.99Å; V11-L81 PolarHBondContact N-O 2.87Å; V11-M82 HydrophobicContact CG2-CB 4.22Å; V11-M82 HydrophobicContact CG2-CE 4.49Å; V11-M82 HydrophobicContact CG2-CG 4.06Å; V11-C83 PolarHBondContact O-N 2.85Å; V11-W99 HydrophobicContact CB-CE3 3.88Å; V11-W99 HydrophobicContact CB-CZ3 4.13Å; V11-W99 HydrophobicContact CG2-CE3 4.25Å; V11-V103 HydrophobicContact CG2-CG2 3.87Å |
| 12 | G | 98.7 | Very high | 95 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 135.7 | 169 | -173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K18 G62 C83 W99 | G12-K18 PolarHBondContact O-NZ 2.94Å; G12-G62 VanDerWaalsContact O-CA 3.25Å; G12-G62 WeakPolarHBondContact O-CA 3.33Å; G12-C83 VanDerWaalsContact CA-O 3.29Å; G12-C83 WeakPolarHBondContact CA-O 3.39Å; G12-W99 WeakPolarHBondContact O-CH2 3.36Å; G12-W99 WeakPolarHBondContact O-CZ2 3.37Å |
| 13 | D | 98.3 | Very high | 96.8 | Very high | 22 Ų | 22 | 26.1 Ų | 26.1 | 12% | 0.118 | 16% | 0.155 | C | C | . | . | trans | -55.8 | 159.9 | -173.8 | -78 | -1.8 | 0 | 0 | 0 | 114.7 | C16 K18 S91 N94 W99 | D13-C16 HydrophobicContact CB-CB 4.47Å; D13-C16 PolarHBondContact O-N 2.83Å; D13-C16 PolarHBondContact O-SG 2.7Å; D13-K18 PolarHBondContact O-NZ 3.18Å; D13-S91 VanDerWaalsContact OD2-CA 3.28Å; D13-S91 WeakPolarHBondContact OD2-CA 3.33Å; D13-S91 WeakPolarHBondContact OD2-CB 3.32Å; D13-N94 PolarHBondContact OD2-ND2 3.45Å; D13-W99 WeakPolarHBondContact OD1-CZ2 3.19Å; D13-W99 PolarHBondContact OD1-NE1 3.45Å | ||
| 14 | G | 95.8 | Very high | 97.8 | Very high | 34 Ų | 34 | 23.4 Ų | 23.4 | 35% | 0.351 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | 143.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | C16 G62 | G14-C16 PolarHBondContact O-N 2.8Å; G14-G62 PolarHBondContact N-O 2.77Å |
| 15 | A | 95.9 | Very high | 98 | Very high | 51 Ų | 51 | 21.9 Ų | 21.9 | 42% | 0.421 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 11.6 | 178 | 0 | 0 | 0 | 0 | 0 | 117.1 | G17 Y34 K118 | A15-G17 PolarHBondContact O-N 3.02Å; A15-Y34 HydrophobicContact CB-CE1 4.49Å; A15-Y34 HydrophobicContact CB-CE2 4.37Å; A15-Y34 PolarHBondContact N-OH 2.96Å; A15-K118 VanDerWaalsContact O-CE 3.3Å; A15-K118 WeakPolarHBondContact O-CE 3.34Å; A15-K118 PolarHBondContact O-NZ 2.78Å; A15-K118 VanDerWaalsContact O-NZ 3.14Å |
| 16 | C | 98 | Very high | 98 | Very high | 2 Ų | 2 | 16.1 Ų | 16.1 | 1% | 0.014 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -76.7 | -0.1 | 177.1 | 78.8 | 0 | 0 | 0 | 0 | 114.4 | D13 G14 K18 N117 | D13-C16 HydrophobicContact CB-CB 4.47Å; D13-C16 PolarHBondContact O-N 2.83Å; D13-C16 PolarHBondContact O-SG 2.7Å; G14-C16 PolarHBondContact O-N 2.8Å; C16-K18 VanDerWaalsContact SG-CG 3.58Å; C16-N117 WeakPolarHBondContact O-CB 3.49Å; C16-N117 PolarHBondContact O-ND2 2.88Å |
| 17 | G | 98.2 | Very high | 97.9 | Very high | 15 Ų | 15 | 21 Ų | 21 | 16% | 0.155 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 97.9 | 11.3 | 173 | 0 | 0 | 0 | 0 | 0 | 116.7 | A15 T19 C20 L21 | A15-G17 PolarHBondContact O-N 3.02Å; G17-T19 PolarHBondContact O-N 3.08Å; G17-C20 PolarHBondContact O-N 3.36Å; G17-L21 WeakPolarHBondContact O-CB 3.34Å; G17-L21 PolarHBondContact O-N 3.2Å |
| 18 | K | 98.5 | Very high | 97.7 | Very high | 11 Ų | 11 | 25 Ų | 25 | 5% | 0.048 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -50.8 | -56.4 | 178.6 | -57.8 | -173.5 | -61.7 | -73.2 | 0 | 113.1 | I10 V11 G12 D13 C16 C20 L21 L22 T60 C83 | I10-K18 HydrophobicContact CD1-CB 3.73Å; I10-K18 HydrophobicContact CD1-CG 4.07Å; I10-K18 HydrophobicContact CG1-CB 3.93Å; I10-K18 HydrophobicContact CG1-CD 4.04Å; I10-K18 HydrophobicContact CG1-CG 3.88Å; I10-K18 HydrophobicContact CG2-CB 4.15Å; I10-K18 HydrophobicContact CG2-CD 4.47Å; V11-K18 VanDerWaalsContact C-CD 3.48Å; G12-K18 PolarHBondContact O-NZ 2.94Å; D13-K18 PolarHBondContact O-NZ 3.18Å; C16-K18 VanDerWaalsContact SG-CG 3.58Å; K18-C20 PolarHBondContact O-N 3.1Å; K18-L21 WeakPolarHBondContact O-CB 3.12Å; K18-L21 PolarHBondContact O-N 3.26Å; K18-L22 PolarHBondContact O-N 2.8Å; K18-T60 WeakPolarHBondContact CE-O 3.34Å; K18-C83 HydrophobicContact CG-CB 4.11Å |
| 19 | T | 98.1 | Very high | 97.5 | Very high | 29 Ų | 29 | 31.4 Ų | 31.4 | 18% | 0.178 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -43.7 | -177.6 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | G17 L21 L22 I23 T37 D59 | G17-T19 PolarHBondContact O-N 3.08Å; T19-L21 VanDerWaalsContact C-N 3.31Å; T19-L21 PolarHBondContact O-N 2.67Å; T19-L22 PolarHBondContact O-N 3.19Å; T19-I23 HydrophobicContact CG2-CD1 3.68Å; T19-I23 HydrophobicContact CG2-CG1 4.29Å; T19-I23 WeakPolarHBondContact O-CB 3.48Å; T19-I23 VanDerWaalsContact O-CG1 3.28Å; T19-I23 WeakPolarHBondContact O-CG1 3.38Å; T19-I23 PolarHBondContact O-N 2.92Å; T19-T37 PolarHBondContact OG1-OG1 2.84Å; T19-D59 VanDerWaalsContact CA-OD2 3.31Å; T19-D59 WeakPolarHBondContact CA-OD2 3.41Å; T19-D59 WeakPolarHBondContact CB-OD2 3.38Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.44Å; T19-D59 PolarHBondContact OG1-OD2 3.13Å |
| 20 | C | 98.2 | Very high | 97.3 | Very high | 28 Ų | 28 | 35.2 Ų | 35.2 | 19% | 0.189 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.7 | -42.2 | 175.7 | -56.7 | 0 | 0 | 0 | 0 | 111.8 | G17 K18 I23 V24 F30 P31 A161 | G17-C20 PolarHBondContact O-N 3.36Å; K18-C20 PolarHBondContact O-N 3.1Å; C20-I23 PolarHBondContact O-N 2.8Å; C20-V24 WeakPolarHBondContact O-CB 3.43Å; C20-V24 VanDerWaalsContact O-CG2 3.24Å; C20-V24 WeakPolarHBondContact O-CG2 3.44Å; C20-V24 PolarHBondContact O-N 3.22Å; C20-F30 HydrophobicContact CB-CD2 4.39Å; C20-F30 HydrophobicContact CB-CE2 3.92Å; C20-P31 HydrophobicContact CB-CG 4.29Å; C20-A161 HydrophobicContact CB-CB 3.89Å |
| 21 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.2 | -47.3 | 177.6 | 177.1 | 59.8 | 0 | 0 | 0 | 111.6 | I10 G17 K18 T19 F25 L81 V115 V167 V170 F171 | I10-L21 HydrophobicContact CD1-CD2 4.13Å; G17-L21 WeakPolarHBondContact O-CB 3.34Å; G17-L21 PolarHBondContact O-N 3.2Å; K18-L21 WeakPolarHBondContact O-CB 3.12Å; K18-L21 PolarHBondContact O-N 3.26Å; T19-L21 VanDerWaalsContact C-N 3.31Å; T19-L21 PolarHBondContact O-N 2.67Å; L21-F25 WeakPolarHBondContact O-CB 3.43Å; L21-F25 PolarHBondContact O-N 2.91Å; L21-F25 VanDerWaalsContact O-N 3.08Å; L21-L81 HydrophobicContact CD2-CD1 4.36Å; L21-V115 HydrophobicContact CD2-CG1 4.24Å; L21-V167 HydrophobicContact CD1-CB 4.32Å; L21-V167 HydrophobicContact CD1-CG1 3.91Å; L21-V167 HydrophobicContact CD1-CG2 3.99Å; L21-V170 HydrophobicContact CD2-CG1 4.38Å; L21-F171 HydrophobicContact CD1-CE2 3.85Å; L21-F171 HydrophobicContact CD1-CZ 4.44Å; L21-F171 HydrophobicContact CG-CE2 3.95Å; L21-F171 HydrophobicContact CG-CZ 4.02Å |
| 22 | L | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.9 | -43.9 | 178.5 | -66.1 | -176.1 | 0 | 0 | 0 | 112.6 | L8 I10 K18 T19 F25 S26 Y42 L57 D59 F171 | L8-L22 HydrophobicContact CD2-CD2 4.4Å; I10-L22 HydrophobicContact CD1-CD2 4.32Å; I10-L22 HydrophobicContact CD1-CG 4.31Å; I10-L22 HydrophobicContact CG2-CD1 3.63Å; I10-L22 HydrophobicContact CG2-CD2 4.4Å; I10-L22 HydrophobicContact CG2-CG 4.16Å; K18-L22 PolarHBondContact O-N 2.8Å; T19-L22 PolarHBondContact O-N 3.19Å; L22-F25 PolarHBondContact O-N 2.86Å; L22-S26 WeakPolarHBondContact O-CB 3.42Å; L22-S26 PolarHBondContact O-N 3.08Å; L22-S26 PolarHBondContact O-OG 2.85Å; L22-Y42 HydrophobicContact CB-CD2 4.49Å; L22-Y42 HydrophobicContact CD1-CD2 4.3Å; L22-Y42 HydrophobicContact CD1-CE2 4.46Å; L22-L57 HydrophobicContact CD2-CB 4.12Å; L22-L57 HydrophobicContact CD2-CD1 4.21Å; L22-L57 HydrophobicContact CD2-CD2 4.39Å; L22-L57 HydrophobicContact CD2-CG 4.48Å; L22-D59 HydrophobicContact CD1-CB 3.47Å; L22-D59 VanDerWaalsContact CD1-CB 3.47Å; L22-F171 HydrophobicContact CD2-CE1 3.94Å; L22-F171 HydrophobicContact CD2-CZ 3.89Å |
| 23 | I | 97.1 | Very high | 95.9 | Very high | 23 Ų | 23 | 51.4 Ų | 51.4 | 12% | 0.118 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -44.9 | -179.4 | -67.1 | 175 | 0 | 0 | 0 | 110.4 | T19 C20 F25 S26 K27 Q29 P31 Y42 | T19-I23 HydrophobicContact CG2-CD1 3.68Å; T19-I23 HydrophobicContact CG2-CG1 4.29Å; T19-I23 WeakPolarHBondContact O-CB 3.48Å; T19-I23 VanDerWaalsContact O-CG1 3.28Å; T19-I23 WeakPolarHBondContact O-CG1 3.38Å; T19-I23 PolarHBondContact O-N 2.92Å; C20-I23 PolarHBondContact O-N 2.8Å; I23-F25 VanDerWaalsContact C-N 3.31Å; I23-F25 PolarHBondContact O-N 2.85Å; I23-S26 PolarHBondContact O-N 2.83Å; I23-K27 HydrophobicContact CG2-CB 4.39Å; I23-K27 HydrophobicContact CG2-CD 4.33Å; I23-K27 WeakPolarHBondContact O-CA 3.11Å; I23-K27 WeakPolarHBondContact O-CB 3.4Å; I23-K27 PolarHBondContact O-N 2.89Å; I23-Q29 WeakPolarHBondContact CG2-O 3.44Å; I23-P31 HydrophobicContact CD1-CG 4.18Å; I23-Y42 HydrophobicContact CG1-CE1 3.94Å; I23-Y42 WeakPolarHBondContact CG1-OH 3.38Å |
| 24 | V | 98.2 | Very high | 95.2 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.03 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.9 | -41 | 178.5 | 170.4 | 0 | 0 | 0 | 0 | 110.8 | C20 D28 Q29 F30 A161 K164 V167 | C20-V24 WeakPolarHBondContact O-CB 3.43Å; C20-V24 VanDerWaalsContact O-CG2 3.24Å; C20-V24 WeakPolarHBondContact O-CG2 3.44Å; C20-V24 PolarHBondContact O-N 3.22Å; V24-D28 WeakPolarHBondContact O-CA 3.4Å; V24-D28 PolarHBondContact O-N 2.86Å; V24-Q29 VanDerWaalsContact CG2-O 3.32Å; V24-Q29 WeakPolarHBondContact CG2-O 3.49Å; V24-F30 HydrophobicContact CG2-CB 4.03Å; V24-F30 HydrophobicContact CG2-CD2 3.95Å; V24-F30 HydrophobicContact CG2-CG 4.5Å; V24-A161 HydrophobicContact CB-CB 4.37Å; V24-A161 HydrophobicContact CG2-CB 3.98Å; V24-A161 WeakPolarHBondContact CG2-O 3.42Å; V24-K164 HydrophobicContact CG1-CG 3.93Å; V24-V167 HydrophobicContact CG1-CG1 4.25Å; V24-V167 HydrophobicContact CG1-CG2 4.27Å |
| 25 | F | 98.3 | Very high | 94.8 | Very high | 39 Ų | 39 | 60.1 Ų | 60.1 | 17% | 0.171 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -66.1 | -45.5 | 176.2 | 173.5 | -113.4 | 0 | 0 | 0 | 113.1 | L21 L22 I23 A44 I46 L55 L57 V167 F171 | L21-F25 WeakPolarHBondContact O-CB 3.43Å; L21-F25 PolarHBondContact O-N 2.91Å; L21-F25 VanDerWaalsContact O-N 3.08Å; L22-F25 PolarHBondContact O-N 2.86Å; I23-F25 VanDerWaalsContact C-N 3.31Å; I23-F25 PolarHBondContact O-N 2.85Å; F25-A44 HydrophobicContact CD1-CB 4.03Å; F25-A44 HydrophobicContact CE1-CB 3.49Å; F25-A44 VanDerWaalsContact CE1-CB 3.49Å; F25-A44 HydrophobicContact CZ-CB 4.18Å; F25-I46 HydrophobicContact CE2-CD1 4.07Å; F25-I46 HydrophobicContact CZ-CB 4.22Å; F25-I46 HydrophobicContact CZ-CD1 4.01Å; F25-L55 HydrophobicContact CE1-CD1 3.91Å; F25-L55 HydrophobicContact CZ-CD1 4.06Å; F25-L57 HydrophobicContact CD1-CD1 3.89Å; F25-L57 HydrophobicContact CE1-CD1 4.17Å; F25-V167 HydrophobicContact CB-CG1 3.9Å; F25-F171 HydrophobicContact CB-CD2 3.7Å; F25-F171 HydrophobicContact CB-CE1 4.49Å; F25-F171 HydrophobicContact CB-CE2 3.28Å; F25-F171 HydrophobicContact CB-CG 4.49Å; F25-F171 HydrophobicContact CB-CZ 3.73Å; F25-F171 HydrophobicContact CD1-CB 4.48Å; F25-F171 AromaticContact CD1-CD1 3.6Å; F25-F171 HydrophobicContact CD1-CD1 3.6Å; F25-F171 AromaticContact CD1-CD2 3.73Å; F25-F171 HydrophobicContact CD1-CD2 3.73Å; F25-F171 AromaticContact CD1-CE1 3.62Å; F25-F171 HydrophobicContact CD1-CE1 3.62Å; F25-F171 AromaticContact CD1-CE2 3.8Å; F25-F171 HydrophobicContact CD1-CE2 3.8Å; F25-F171 AromaticContact CD1-CG 3.65Å; F25-F171 HydrophobicContact CD1-CG 3.65Å; F25-F171 AromaticContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD2-CB 4.07Å; F25-F171 AromaticContact CD2-CD2 3.38Å; F25-F171 HydrophobicContact CD2-CD2 3.38Å; F25-F171 AromaticContact CD2-CE2 3.95Å; F25-F171 HydrophobicContact CD2-CE2 3.95Å; F25-F171 AromaticContact CD2-CG 3.74Å; F25-F171 HydrophobicContact CD2-CG 3.74Å; F25-F171 HydrophobicContact CE1-CB 4.08Å; F25-F171 AromaticContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD2 4.19Å; F25-F171 HydrophobicContact CE1-CE1 4.05Å; F25-F171 AromaticContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE2-CB 3.65Å; F25-F171 AromaticContact CE2-CD2 3.89Å; F25-F171 HydrophobicContact CE2-CD2 3.89Å; F25-F171 AromaticContact CE2-CG 3.77Å; F25-F171 HydrophobicContact CE2-CG 3.77Å; F25-F171 HydrophobicContact CG-CB 4.47Å; F25-F171 HydrophobicContact CG-CD1 4.08Å; F25-F171 AromaticContact CG-CD2 3.3Å; F25-F171 HydrophobicContact CG-CD2 3.3Å; F25-F171 HydrophobicContact CG-CE1 4.13Å; F25-F171 AromaticContact CG-CE2 3.4Å; F25-F171 HydrophobicContact CG-CE2 3.4Å; F25-F171 AromaticContact CG-CG 3.68Å; F25-F171 HydrophobicContact CG-CG 3.68Å; F25-F171 AromaticContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CZ-CB 3.66Å; F25-F171 HydrophobicContact CZ-CD1 4.09Å; F25-F171 HydrophobicContact CZ-CD2 4.27Å; F25-F171 AromaticContact CZ-CG 3.74Å; F25-F171 HydrophobicContact CZ-CG 3.74Å |
| 26 | S | 96.2 | Very high | 94.5 | Very high | 32 Ų | 32 | 60.5 Ų | 60.5 | 22% | 0.224 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -83.8 | -27 | -173 | 58.5 | 0 | 0 | 0 | 0 | 114.5 | L22 I23 | L22-S26 WeakPolarHBondContact O-CB 3.42Å; L22-S26 PolarHBondContact O-N 3.08Å; L22-S26 PolarHBondContact O-OG 2.85Å; I23-S26 PolarHBondContact O-N 2.83Å |
| 27 | K | 95.1 | Very high | 94.2 | Very high | 126 Ų | 126 | 61.2 Ų | 61.2 | 55% | 0.548 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -126.4 | -1.5 | -172.6 | -57.3 | -173.9 | -176.5 | 172.3 | 0 | 114 | I23 Q29 | I23-K27 HydrophobicContact CG2-CB 4.39Å; I23-K27 HydrophobicContact CG2-CD 4.33Å; I23-K27 WeakPolarHBondContact O-CA 3.11Å; I23-K27 WeakPolarHBondContact O-CB 3.4Å; I23-K27 PolarHBondContact O-N 2.89Å; K27-Q29 PolarHBondContact O-N 3.42Å |
| 28 | D | 94.7 | Very high | 93.7 | Very high | 109 Ų | 109 | 64.1 Ų | 64.1 | 58% | 0.583 | 33% | 0.333 | S | S | * | . | S | Bend | trans | 56.3 | 21.8 | -178.6 | -160 | 45 | 0 | 0 | 0 | 114.9 | V24 K164 | V24-D28 WeakPolarHBondContact O-CA 3.4Å; V24-D28 PolarHBondContact O-N 2.86Å; D28-K164 PolarHBondContact O-NZ 2.97Å; D28-K164 WeakPolarHBondContact OD1-CE 3.39Å; D28-K164 IonicContact OD1-NZ 2.93Å; D28-K164 PolarHBondContact OD1-NZ 2.92Å; D28-K164 IonicContact OD2-NZ 3.71Å; D28-K164 PolarHBondContact OD2-NZ 2.72Å |
| 29 | Q | 94.1 | Very high | 93.3 | Very high | 133 Ų | 133 | 67.4 Ų | 67.4 | 62% | 0.621 | 35% | 0.347 | S | S | * | . | trans | -124.9 | 133.3 | -177 | -173.3 | 178 | 29.5 | 0 | 0 | 110.9 | I23 V24 K27 | I23-Q29 WeakPolarHBondContact CG2-O 3.44Å; V24-Q29 VanDerWaalsContact CG2-O 3.32Å; V24-Q29 WeakPolarHBondContact CG2-O 3.49Å; K27-Q29 PolarHBondContact O-N 3.42Å | ||
| 30 | F | 94.2 | Very high | 93.1 | Very high | 80 Ų | 80 | 70.2 Ų | 70.2 | 35% | 0.351 | 36% | 0.358 | S | S | . | . | trans | -88.5 | 125.3 | 171.8 | -175.3 | -97.3 | 0 | 0 | 0 | 110.2 | C20 V24 A161 K162 | C20-F30 HydrophobicContact CB-CD2 4.39Å; C20-F30 HydrophobicContact CB-CE2 3.92Å; V24-F30 HydrophobicContact CG2-CB 4.03Å; V24-F30 HydrophobicContact CG2-CD2 3.95Å; V24-F30 HydrophobicContact CG2-CG 4.5Å; F30-A161 HydrophobicContact CD2-CB 4.04Å; F30-A161 HydrophobicContact CE2-CB 4.01Å; F30-K162 HydrophobicContact CD2-CB 4.28Å; F30-K162 HydrophobicContact CE2-CB 3.95Å; F30-K162 HydrophobicContact CZ-CB 4.17Å; F30-K162 HydrophobicContact CZ-CG 4.46Å | ||
| 31 | P | 92.2 | Very high | 93 | Very high | 35 Ų | 35 | 73 Ų | 73 | 23% | 0.227 | 37% | 0.371 | C | S | . | . | trans | -74.1 | 127.2 | 176.2 | 30.3 | -34.1 | 0 | 0 | 0 | 110.8 | C20 I23 | C20-P31 HydrophobicContact CB-CG 4.29Å; I23-P31 HydrophobicContact CD1-CG 4.18Å | ||
| 32 | E | 88.6 | Confident | 92.8 | Very high | 188 Ų | 188 | 74 Ų | 74 | 88% | 0.879 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -83.5 | -20.1 | 179.3 | -63.2 | -171.9 | 169.2 | 0 | 0 | 113.4 | ||
| 33 | V | 87.7 | Confident | 92.7 | Very high | 117 Ų | 117 | 77.8 Ų | 77.8 | 71% | 0.709 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -107 | 127.2 | -179.2 | -178 | 0 | 0 | 0 | 0 | 109.6 | V35 | V33-V35 HydrophobicContact CG1-CG2 4.34Š|
| 34 | Y | 83.3 | Confident | 92.6 | Very high | 136 Ų | 136 | 77.2 Ų | 77.2 | 53% | 0.533 | 40% | 0.397 | S | S | . | . | trans | -86.1 | 124.7 | 173.4 | 176.2 | -112.3 | 0 | 0 | 0 | 111.1 | A15 P36 | A15-Y34 HydrophobicContact CB-CE1 4.49Å; A15-Y34 HydrophobicContact CB-CE2 4.37Å; A15-Y34 PolarHBondContact N-OH 2.96Å; Y34-P36 HydrophobicContact CE1-CG 3.84Å | ||
| 35 | V | 86.7 | Confident | 92.5 | Very high | 103 Ų | 103 | 82.8 Ų | 82.8 | 62% | 0.624 | 43% | 0.426 | S | S | * | . | trans | -126.9 | 125.7 | 169 | -179.2 | 0 | 0 | 0 | 0 | 107.3 | V33 T37 | V33-V35 HydrophobicContact CG1-CG2 4.34Å; V35-T37 PolarHBondContact O-N 3.16Å | ||
| 36 | P | 90.5 | Very high | 92.5 | Very high | 59 Ų | 59 | 81.2 Ų | 81.2 | 38% | 0.383 | 42% | 0.42 | S | S | . | . | trans | -60.7 | 122.3 | 175.3 | -22.6 | 32.3 | 0 | 0 | 0 | 111.9 | Y34 Q63 | Y34-P36 HydrophobicContact CE1-CG 3.84Å; P36-Q63 VanDerWaalsContact CB-NE2 3.26Å | ||
| 37 | T | 90.7 | Very high | 92.4 | Very high | 17 Ų | 17 | 84.4 Ų | 84.4 | 10% | 0.104 | 43% | 0.431 | C | S | . | . | trans | -75.6 | 135.1 | -178.7 | -49.2 | 0 | 0 | 0 | 0 | 110.9 | T19 V35 E40 D59 A61 | T19-T37 PolarHBondContact OG1-OG1 2.84Å; V35-T37 PolarHBondContact O-N 3.16Å; T37-E40 HydrophobicContact CG2-CB 4.42Å; T37-E40 HydrophobicContact CG2-CG 4.06Å; T37-D59 HydrophobicContact CG2-CB 4.32Å; T37-A61 WeakPolarHBondContact O-CA 3.36Å; T37-A61 WeakPolarHBondContact O-CB 3.49Å | ||
| 38 | V | 88.5 | Confident | 92.5 | Very high | 77 Ų | 77 | 78.6 Ų | 78.6 | 47% | 0.467 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -85.1 | -63 | 166.3 | 175.6 | 0 | 0 | 0 | 0 | 108.9 | A61 Y66 | V38-A61 WeakPolarHBondContact O-CB 3.41Å; V38-A61 PolarHBondContact O-N 3.16Å; V38-A61 VanDerWaalsContact O-N 3.16Å; V38-Y66 HydrophobicContact CB-CE1 4.14Å; V38-Y66 HydrophobicContact CG1-CD1 3.93Å; V38-Y66 HydrophobicContact CG1-CE1 3.49Å; V38-Y66 VanDerWaalsContact CG1-CE1 3.49Å; V38-Y66 HydrophobicContact CG2-CE1 3.89Å; V38-Y66 WeakPolarHBondContact CG2-OH 3.24Å |
| 39 | F | 90.1 | Very high | 92.4 | Very high | 80 Ų | 80 | 78.5 Ų | 78.5 | 35% | 0.351 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 133.1 | 177.2 | 173 | -107.2 | 0 | 0 | 0 | 109.3 | N41 W58 D59 S73 | F39-N41 WeakPolarHBondContact CE1-ND2 3.45Å; F39-N41 VanDerWaalsContact CZ-CG 3.46Å; F39-N41 WeakPolarHBondContact CZ-ND2 3.24Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.16Å; F39-W58 HydrophobicContact CE1-CE3 4.48Å; F39-W58 HydrophobicContact CE1-CZ3 4.32Å; F39-W58 HydrophobicContact CE2-CB 4.3Å; F39-W58 HydrophobicContact CE2-CD2 4.06Å; F39-W58 AromaticContact CE2-CE3 3.32Å; F39-W58 HydrophobicContact CE2-CE3 3.32Å; F39-W58 AromaticContact CE2-CZ3 3.88Å; F39-W58 HydrophobicContact CE2-CZ3 3.88Å; F39-W58 AromaticContact CZ-CD2 3.93Å; F39-W58 HydrophobicContact CZ-CD2 3.93Å; F39-W58 AromaticContact CZ-CE3 3.21Å; F39-W58 HydrophobicContact CZ-CE3 3.21Å; F39-W58 HydrophobicContact CZ-CH2 4.2Å; F39-W58 AromaticContact CZ-CZ3 3.36Å; F39-W58 HydrophobicContact CZ-CZ3 3.36Å; F39-D59 WeakPolarHBondContact CA-O 3.43Å; F39-D59 WeakPolarHBondContact CD2-O 3.49Å; F39-S73 WeakPolarHBondContact CE2-OG 3.28Å |
| 40 | E | 94 | Very high | 92.4 | Very high | 87 Ų | 87 | 75.2 Ų | 75.2 | 41% | 0.407 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 153.9 | 175.5 | -68.2 | -170.8 | -170.3 | 0 | 0 | 111.3 | T37 Y42 D59 | T37-E40 HydrophobicContact CG2-CB 4.42Å; T37-E40 HydrophobicContact CG2-CG 4.06Å; E40-Y42 HydrophobicContact CB-CE2 3.81Å; E40-Y42 VanDerWaalsContact OE2-CZ 3.3Å; E40-Y42 PolarHBondContact OE2-OH 3.35Å; E40-D59 HydrophobicContact CB-CB 4.19Å; E40-D59 PolarHBondContact N-O 2.87Å; E40-D59 PolarHBondContact O-N 3.23Å |
| 41 | N | 94.7 | Very high | 92.4 | Very high | 87 Ų | 87 | 76.3 Ų | 76.3 | 47% | 0.465 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.5 | 176.9 | -71.9 | -49.7 | 0 | 0 | 0 | 111 | F39 L57 W58 | F39-N41 WeakPolarHBondContact CE1-ND2 3.45Å; F39-N41 VanDerWaalsContact CZ-CG 3.46Å; F39-N41 WeakPolarHBondContact CZ-ND2 3.24Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.16Å; N41-L57 WeakPolarHBondContact CA-O 3.4Å; N41-W58 VanDerWaalsContact OD1-CD2 3.25Å |
| 42 | Y | 95.5 | Very high | 92.6 | Very high | 22 Ų | 22 | 79.9 Ų | 79.9 | 9% | 0.086 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 159.6 | 173.3 | -53.9 | -100.9 | 0 | 0 | 0 | 109.8 | L22 I23 E40 L57 D59 | L22-Y42 HydrophobicContact CB-CD2 4.49Å; L22-Y42 HydrophobicContact CD1-CD2 4.3Å; L22-Y42 HydrophobicContact CD1-CE2 4.46Å; I23-Y42 HydrophobicContact CG1-CE1 3.94Å; I23-Y42 WeakPolarHBondContact CG1-OH 3.38Å; E40-Y42 HydrophobicContact CB-CE2 3.81Å; E40-Y42 VanDerWaalsContact OE2-CZ 3.3Å; E40-Y42 PolarHBondContact OE2-OH 3.35Å; Y42-L57 PolarHBondContact N-O 3.42Å; Y42-L57 PolarHBondContact O-N 2.89Å; Y42-D59 HydrophobicContact CE2-CB 4.27Å |
| 43 | V | 95.7 | Very high | 93 | Very high | 79 Ų | 79 | 71 Ų | 71 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 136.6 | 169.4 | -178.4 | 0 | 0 | 0 | 0 | 107.6 | E54 L55 | V43-E54 HydrophobicContact CG1-CG 3.49Å; V43-E54 VanDerWaalsContact CG1-CG 3.49Å; V43-L55 WeakPolarHBondContact CA-O 3.09Å |
| 44 | A | 96.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 67.8 Ų | 67.8 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 139.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | F25 L55 L57 | F25-A44 HydrophobicContact CD1-CB 4.03Å; F25-A44 HydrophobicContact CE1-CB 3.49Å; F25-A44 VanDerWaalsContact CE1-CB 3.49Å; F25-A44 HydrophobicContact CZ-CB 4.18Å; A44-L55 PolarHBondContact N-O 3.36Å; A44-L55 VanDerWaalsContact N-O 3.08Å; A44-L55 WeakPolarHBondContact O-CB 3.47Å; A44-L55 PolarHBondContact O-N 2.86Å; A44-L57 HydrophobicContact CB-CD1 4.08Å |
| 45 | D | 96.1 | Very high | 94.2 | Very high | 121 Ų | 121 | 61.3 Ų | 61.3 | 65% | 0.647 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 137.7 | 173.8 | -65.4 | -50.1 | 0 | 0 | 0 | 110.2 | ||
| 46 | I | 96.7 | Very high | 94.7 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.036 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 140 | 175.8 | -167.2 | 174.4 | 0 | 0 | 0 | 110.8 | F25 V48 V53 L55 F171 E172 T175 | F25-I46 HydrophobicContact CE2-CD1 4.07Å; F25-I46 HydrophobicContact CZ-CB 4.22Å; F25-I46 HydrophobicContact CZ-CD1 4.01Å; I46-V48 HydrophobicContact CD1-CG2 3.97Å; I46-V48 HydrophobicContact CG1-CG2 3.97Å; I46-V48 HydrophobicContact CG2-CG2 4.33Å; I46-V53 HydrophobicContact CG2-CB 4.22Å; I46-V53 PolarHBondContact N-O 2.53Å; I46-V53 PolarHBondContact O-N 2.93Å; I46-L55 HydrophobicContact CG2-CD1 3.72Å; I46-L55 HydrophobicContact CG2-CG 3.99Å; I46-F171 HydrophobicContact CD1-CB 4Å; I46-E172 HydrophobicContact CD1-CG 3.8Å; I46-T175 HydrophobicContact CG2-CG2 4.14Å |
| 47 | E | 95.5 | Very high | 95.1 | Very high | 99 Ų | 99 | 53.9 Ų | 53.9 | 46% | 0.463 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122.5 | 170 | -170 | 179.3 | 162.2 | 0 | 0 | 110 | K51 Q52 | E47-K51 WeakPolarHBondContact CA-O 3.3Å; E47-Q52 VanDerWaalsContact CD-NE2 3.32Å; E47-Q52 PolarHBondContact OE2-NE2 3.01Å |
| 48 | V | 95.9 | Very high | 95.5 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.018 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 125.1 | 176.9 | -179.7 | 0 | 0 | 0 | 0 | 109.7 | I46 G50 K51 E172 T175 R176 | I46-V48 HydrophobicContact CD1-CG2 3.97Å; I46-V48 HydrophobicContact CG1-CG2 3.97Å; I46-V48 HydrophobicContact CG2-CG2 4.33Å; V48-G50 PolarHBondContact O-N 3.42Å; V48-K51 PolarHBondContact N-O 3.06Å; V48-K51 WeakPolarHBondContact O-CB 3.33Å; V48-K51 PolarHBondContact O-N 2.97Å; V48-E172 HydrophobicContact CG2-CB 4.34Å; V48-E172 HydrophobicContact CG2-CG 4.17Å; V48-T175 HydrophobicContact CB-CG2 3.97Å; V48-T175 HydrophobicContact CG2-CG2 3.7Å; V48-R176 HydrophobicContact CG1-CB 4.24Å |
| 49 | D | 94 | Very high | 95.9 | Very high | 108 Ų | 108 | 52.4 Ų | 52.4 | 58% | 0.578 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 41.7 | 178.7 | -50.4 | -24.8 | 0 | 0 | 0 | 112.3 | K51 R176 | D49-K51 VanDerWaalsContact C-N 3.31Å; D49-K51 PolarHBondContact O-N 3.24Å; D49-R176 IonicContact OD1-CZ 3.91Å; D49-R176 IonicContact OD1-NE 3.05Å; D49-R176 IonicContact OD1-NH2 2.95Å; D49-R176 PolarHBondContact OD1-NH2 2.91Å; D49-R176 IonicContact OD2-CZ 2.85Å; D49-R176 IonicContact OD2-NE 2.9Å; D49-R176 PolarHBondContact OD2-NE 3.1Å; D49-R176 IonicContact OD2-NH2 3.68Å |
| 50 | G | 93 | Very high | 96.3 | Very high | 63 Ų | 63 | 48.7 Ų | 48.7 | 65% | 0.649 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.9 | 8.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | V48 | V48-G50 PolarHBondContact O-N 3.42Š|
| 51 | K | 94.1 | Very high | 96.4 | Very high | 104 Ų | 104 | 44.7 Ų | 44.7 | 45% | 0.452 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 124.5 | 178.7 | -63.4 | 175.1 | -176.6 | 171.5 | 0 | 110.3 | I4 E47 V48 D49 V53 L179 | I4-K51 HydrophobicContact CD1-CB 4.3Å; I4-K51 HydrophobicContact CD1-CD 4.25Å; I4-K51 HydrophobicContact CD1-CG 4.48Å; E47-K51 WeakPolarHBondContact CA-O 3.3Å; V48-K51 PolarHBondContact N-O 3.06Å; V48-K51 WeakPolarHBondContact O-CB 3.33Å; V48-K51 PolarHBondContact O-N 2.97Å; D49-K51 VanDerWaalsContact C-N 3.31Å; D49-K51 PolarHBondContact O-N 3.24Å; K51-V53 HydrophobicContact CB-CG2 4.47Å; K51-L179 HydrophobicContact CD-CD1 4.16Å; K51-L179 HydrophobicContact CD-CD2 4.5Å |
| 52 | Q | 96.2 | Very high | 96.3 | Very high | 110 Ų | 110 | 41 Ų | 41 | 51% | 0.514 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 122.6 | 169.6 | -63.5 | -63.4 | -17.1 | 0 | 0 | 109.8 | E47 | E47-Q52 VanDerWaalsContact CD-NE2 3.32Å; E47-Q52 PolarHBondContact OE2-NE2 3.01Å |
| 53 | V | 97.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 126.8 | -177.9 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | I4 K6 I46 K51 L55 T175 L179 | I4-V53 HydrophobicContact CB-CG2 4.32Å; I4-V53 HydrophobicContact CG2-CG2 4.33Å; I4-V53 CarbonylContact O-C 3.59Å; I4-V53 VanDerWaalsContact O-CA 3.24Å; I4-V53 WeakPolarHBondContact O-CA 3.19Å; I4-V53 WeakPolarHBondContact O-CG1 3.22Å; K6-V53 HydrophobicContact CB-CG1 3.96Å; K6-V53 HydrophobicContact CG-CG1 3.82Å; I46-V53 HydrophobicContact CG2-CB 4.22Å; I46-V53 PolarHBondContact N-O 2.53Å; I46-V53 PolarHBondContact O-N 2.93Å; K51-V53 HydrophobicContact CB-CG2 4.47Å; V53-L55 HydrophobicContact CG1-CD2 4.3Å; V53-T175 HydrophobicContact CB-CG2 3.99Å; V53-T175 HydrophobicContact CG1-CG2 4.06Å; V53-T175 HydrophobicContact CG2-CG2 3.81Å; V53-L179 HydrophobicContact CG2-CD1 4.09Å; V53-L179 HydrophobicContact CG2-CD2 4.12Å; V53-L179 HydrophobicContact CG2-CG 4.45Å |
| 54 | E | 97.7 | Very high | 95.9 | Very high | 50 Ų | 50 | 45.7 Ų | 45.7 | 23% | 0.234 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 114.8 | 166.7 | -176.6 | -172.8 | 82.9 | 0 | 0 | 108.2 | I4 R5 K6 V43 | I4-E54 PolarHBondContact O-N 3.27Å; R5-E54 CarbonylContact C-O 3.53Å; R5-E54 WeakPolarHBondContact CA-O 3.24Å; R5-E54 WeakPolarHBondContact CD-OE1 3.24Å; R5-E54 HydrophobicContact CG-CB 4.44Å; R5-E54 IonicContact CZ-OE1 3.99Å; R5-E54 IonicContact NE-OE1 3.77Å; R5-E54 PolarHBondContact NE-OE1 3.24Å; R5-E54 IonicContact NH1-OE1 2.77Å; R5-E54 PolarHBondContact NH1-OE1 2.98Å; K6-E54 PolarHBondContact N-O 2.76Å; V43-E54 HydrophobicContact CG1-CG 3.49Å; V43-E54 VanDerWaalsContact CG1-CG 3.49Å |
| 55 | L | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 118.5 | 173.6 | -70.4 | 174 | 0 | 0 | 0 | 110.2 | K6 F25 V43 A44 I46 V53 L57 F171 | K6-L55 HydrophobicContact CB-CD2 3.96Å; K6-L55 CarbonylContact O-C 3.58Å; K6-L55 WeakPolarHBondContact O-CA 3.25Å; F25-L55 HydrophobicContact CE1-CD1 3.91Å; F25-L55 HydrophobicContact CZ-CD1 4.06Å; V43-L55 WeakPolarHBondContact CA-O 3.09Å; A44-L55 PolarHBondContact N-O 3.36Å; A44-L55 VanDerWaalsContact N-O 3.08Å; A44-L55 WeakPolarHBondContact O-CB 3.47Å; A44-L55 PolarHBondContact O-N 2.86Å; I46-L55 HydrophobicContact CG2-CD1 3.72Å; I46-L55 HydrophobicContact CG2-CG 3.99Å; V53-L55 HydrophobicContact CG1-CD2 4.3Å; L55-L57 HydrophobicContact CB-CD2 3.74Å; L55-L57 HydrophobicContact CB-CG 4.29Å; L55-L57 HydrophobicContact CD1-CD2 4.24Å; L55-F171 HydrophobicContact CD1-CB 4.5Å; L55-F171 HydrophobicContact CD1-CD1 4.19Å |
| 56 | A | 98.2 | Very high | 95.7 | Very high | 6 Ų | 6 | 49.1 Ų | 49.1 | 5% | 0.05 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 108.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | K6 K7 L8 | K6-A56 PolarHBondContact O-N 3.09Å; K7-A56 WeakPolarHBondContact CA-O 3.29Å; L8-A56 PolarHBondContact N-O 2.74Å |
| 57 | L | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.6 | -174.7 | -51.4 | 173.7 | 0 | 0 | 0 | 109.6 | L8 L22 F25 N41 Y42 A44 L55 F171 | L8-L57 HydrophobicContact CB-CD2 4.06Å; L8-L57 HydrophobicContact CD1-CD2 4.15Å; L8-L57 HydrophobicContact CD2-CD2 4.1Å; L8-L57 HydrophobicContact CG-CD2 4.35Å; L22-L57 HydrophobicContact CD2-CB 4.12Å; L22-L57 HydrophobicContact CD2-CD1 4.21Å; L22-L57 HydrophobicContact CD2-CD2 4.39Å; L22-L57 HydrophobicContact CD2-CG 4.48Å; F25-L57 HydrophobicContact CD1-CD1 3.89Å; F25-L57 HydrophobicContact CE1-CD1 4.17Å; N41-L57 WeakPolarHBondContact CA-O 3.4Å; Y42-L57 PolarHBondContact N-O 3.42Å; Y42-L57 PolarHBondContact O-N 2.89Å; A44-L57 HydrophobicContact CB-CD1 4.08Å; L55-L57 HydrophobicContact CB-CD2 3.74Å; L55-L57 HydrophobicContact CB-CG 4.29Å; L55-L57 HydrophobicContact CD1-CD2 4.24Å; L57-F171 HydrophobicContact CD2-CD1 4.31Å; L57-F171 HydrophobicContact CD2-CE1 3.97Å |
| 58 | W | 98.6 | Very high | 95.5 | Very high | 63 Ų | 63 | 58 Ų | 58 | 24% | 0.239 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 105 | -177.6 | -71.9 | 59.9 | 0 | 0 | 0 | 109.1 | K7 L8 V9 I10 F39 N41 | K7-W58 HydrophobicContact CD-CD2 4.49Å; K7-W58 VanDerWaalsContact CE-CE2 3.49Å; K7-W58 HydrophobicContact CG-CG 4.47Å; L8-W58 PolarHBondContact O-N 3.14Å; V9-W58 HydrophobicContact CB-CB 4.32Å; V9-W58 HydrophobicContact CG1-CB 4.42Å; V9-W58 HydrophobicContact CG2-CB 3.81Å; V9-W58 HydrophobicContact CG2-CG 4.2Å; I10-W58 WeakPolarHBondContact CG2-O 3.37Å; I10-W58 PolarHBondContact N-O 3.36Å; I10-W58 VanDerWaalsContact N-O 3.09Å; F39-W58 HydrophobicContact CE1-CE3 4.48Å; F39-W58 HydrophobicContact CE1-CZ3 4.32Å; F39-W58 HydrophobicContact CE2-CB 4.3Å; F39-W58 HydrophobicContact CE2-CD2 4.06Å; F39-W58 AromaticContact CE2-CE3 3.32Å; F39-W58 HydrophobicContact CE2-CE3 3.32Å; F39-W58 AromaticContact CE2-CZ3 3.88Å; F39-W58 HydrophobicContact CE2-CZ3 3.88Å; F39-W58 AromaticContact CZ-CD2 3.93Å; F39-W58 HydrophobicContact CZ-CD2 3.93Å; F39-W58 AromaticContact CZ-CE3 3.21Å; F39-W58 HydrophobicContact CZ-CE3 3.21Å; F39-W58 HydrophobicContact CZ-CH2 4.2Å; F39-W58 AromaticContact CZ-CZ3 3.36Å; F39-W58 HydrophobicContact CZ-CZ3 3.36Å; N41-W58 VanDerWaalsContact OD1-CD2 3.25Å |
| 59 | D | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 136 | 176.2 | -160.2 | 1.5 | 0 | 0 | 0 | 111 | I10 T19 L22 T37 F39 E40 Y42 | I10-D59 HydrophobicContact CG2-CB 4.5Å; T19-D59 VanDerWaalsContact CA-OD2 3.31Å; T19-D59 WeakPolarHBondContact CA-OD2 3.41Å; T19-D59 WeakPolarHBondContact CB-OD2 3.38Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.44Å; T19-D59 PolarHBondContact OG1-OD2 3.13Å; L22-D59 HydrophobicContact CD1-CB 3.47Å; L22-D59 VanDerWaalsContact CD1-CB 3.47Å; T37-D59 HydrophobicContact CG2-CB 4.32Å; F39-D59 WeakPolarHBondContact CA-O 3.43Å; F39-D59 WeakPolarHBondContact CD2-O 3.49Å; E40-D59 HydrophobicContact CB-CB 4.19Å; E40-D59 PolarHBondContact N-O 2.87Å; E40-D59 PolarHBondContact O-N 3.23Å; Y42-D59 HydrophobicContact CE2-CB 4.27Å |
| 60 | T | 97.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.012 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 150.4 | -174.2 | 72.7 | 0 | 0 | 0 | 0 | 113 | V9 I10 K18 G62 R70 | V9-T60 HydrophobicContact CG1-CG2 3.81Å; I10-T60 WeakPolarHBondContact O-CG2 3.39Å; I10-T60 PolarHBondContact O-OG1 3.41Å; K18-T60 WeakPolarHBondContact CE-O 3.34Å; T60-G62 PolarHBondContact O-N 2.99Å; T60-R70 HydrophobicContact CG2-CG 4.18Å |
| 61 | A | 95.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 3% | 0.025 | 26% | 0.259 | C | S | . | . | trans | -61.7 | 133.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T37 V38 Y66 R70 | T37-A61 WeakPolarHBondContact O-CA 3.36Å; T37-A61 WeakPolarHBondContact O-CB 3.49Å; V38-A61 WeakPolarHBondContact O-CB 3.41Å; V38-A61 PolarHBondContact O-N 3.16Å; V38-A61 VanDerWaalsContact O-N 3.16Å; A61-Y66 HydrophobicContact CB-CD1 4.34Å; A61-Y66 HydrophobicContact CB-CD2 3.57Å; A61-Y66 HydrophobicContact CB-CE2 4.4Å; A61-Y66 HydrophobicContact CB-CG 3.53Å; A61-R70 PolarHBondContact O-NE 2.53Å; A61-R70 PolarHBondContact O-NH2 2.71Å | ||
| 62 | G | 93 | Very high | 95.9 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | trans | -90.2 | -4.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G12 G14 T60 | G12-G62 VanDerWaalsContact O-CA 3.25Å; G12-G62 WeakPolarHBondContact O-CA 3.33Å; G14-G62 PolarHBondContact N-O 2.77Å; T60-G62 PolarHBondContact O-N 2.99Å | ||
| 63 | Q | 91.7 | Very high | 96 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 32% | 0.322 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -84.7 | 149.3 | 179.7 | -62.6 | 174.7 | 10 | 0 | 0 | 111.1 | P36 D65 Y66 R70 | P36-Q63 VanDerWaalsContact CB-NE2 3.26Å; Q63-D65 VanDerWaalsContact C-N 3.29Å; Q63-D65 PolarHBondContact O-N 2.56Å; Q63-Y66 HydrophobicContact CB-CD2 4.1Å; Q63-Y66 PolarHBondContact O-N 2.87Å; Q63-R70 PolarHBondContact O-NH2 2.69Å |
| 64 | E | 90.8 | Very high | 96 | Very high | 130 Ų | 130 | 52 Ų | 52 | 61% | 0.607 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -68.1 | -27.8 | -178.9 | -70.5 | 178.5 | 177.3 | 0 | 0 | 113.3 | Y66 D67 K98 | E64-Y66 PolarHBondContact O-N 3.21Å; E64-D67 VanDerWaalsContact O-CB 3.3Å; E64-D67 WeakPolarHBondContact O-CB 3.19Å; E64-D67 VanDerWaalsContact O-CG 3.23Å; E64-D67 PolarHBondContact O-N 3.48Å; E64-K98 IonicContact OE1-NZ 3.76Å; E64-K98 PolarHBondContact OE1-NZ 3.46Å |
| 65 | D | 93.5 | Very high | 96 | Very high | 141 Ų | 141 | 53.2 Ų | 53.2 | 75% | 0.754 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -55.5 | -22.7 | 175.6 | -62.8 | -34.8 | 0 | 0 | 0 | 112.8 | Q63 | Q63-D65 VanDerWaalsContact C-N 3.29Å; Q63-D65 PolarHBondContact O-N 2.56Å |
| 66 | Y | 94.1 | Very high | 95.9 | Very high | 63 Ų | 63 | 58.4 Ų | 58.4 | 25% | 0.247 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -104.2 | 8.3 | -179.9 | -61.6 | -85.7 | 0 | 0 | 0 | 113.9 | V38 A61 Q63 E64 R68 L69 R70 | V38-Y66 HydrophobicContact CB-CE1 4.14Å; V38-Y66 HydrophobicContact CG1-CD1 3.93Å; V38-Y66 HydrophobicContact CG1-CE1 3.49Å; V38-Y66 VanDerWaalsContact CG1-CE1 3.49Å; V38-Y66 HydrophobicContact CG2-CE1 3.89Å; V38-Y66 WeakPolarHBondContact CG2-OH 3.24Å; A61-Y66 HydrophobicContact CB-CD1 4.34Å; A61-Y66 HydrophobicContact CB-CD2 3.57Å; A61-Y66 HydrophobicContact CB-CE2 4.4Å; A61-Y66 HydrophobicContact CB-CG 3.53Å; Q63-Y66 HydrophobicContact CB-CD2 4.1Å; Q63-Y66 PolarHBondContact O-N 2.87Å; E64-Y66 PolarHBondContact O-N 3.21Å; Y66-R68 PolarHBondContact O-N 3.49Å; Y66-R68 VanDerWaalsContact O-N 3.1Å; Y66-L69 HydrophobicContact CD1-CD1 3.95Å; Y66-L69 HydrophobicContact CE1-CD1 4.47Å; Y66-L69 PolarHBondContact O-N 3.09Å; Y66-R70 PolarHBondContact O-N 3.32Å |
| 67 | D | 94.7 | Very high | 95.9 | Very high | 59 Ų | 59 | 58.7 Ų | 58.7 | 32% | 0.316 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -29.8 | -178.9 | -78 | -7.2 | 0 | 0 | 0 | 113 | E64 R70 P71 | E64-D67 VanDerWaalsContact O-CB 3.3Å; E64-D67 WeakPolarHBondContact O-CB 3.19Å; E64-D67 VanDerWaalsContact O-CG 3.23Å; E64-D67 PolarHBondContact O-N 3.48Å; D67-R70 IonicContact OD1-CZ 3.56Å; D67-R70 VanDerWaalsContact OD1-CZ 3.24Å; D67-R70 IonicContact OD1-NH1 2.96Å; D67-R70 PolarHBondContact OD1-NH1 3.49Å; D67-R70 IonicContact OD1-NH2 2.73Å; D67-R70 PolarHBondContact OD1-NH2 3.31Å; D67-P71 WeakPolarHBondContact O-CD 3.2Å; D67-P71 WeakPolarHBondContact O-CG 3.31Å |
| 68 | R | 94.3 | Very high | 95.9 | Very high | 232 Ų | 232 | 60 Ų | 60 | 88% | 0.875 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -23.3 | 176.3 | -64.9 | -174.8 | 179.1 | -177.1 | 0.9 | 113.9 | Y66 | Y66-R68 PolarHBondContact O-N 3.49Å; Y66-R68 VanDerWaalsContact O-N 3.1Å |
| 69 | L | 94.7 | Very high | 95.9 | Very high | 98 Ų | 98 | 57 Ų | 57 | 51% | 0.513 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -36.2 | -177.2 | -67.7 | 176.9 | 0 | 0 | 0 | 112 | Y66 P71 L72 | Y66-L69 HydrophobicContact CD1-CD1 3.95Å; Y66-L69 HydrophobicContact CE1-CD1 4.47Å; Y66-L69 PolarHBondContact O-N 3.09Å; L69-P71 VanDerWaalsContact C-CD 3.4Å; L69-P71 VanDerWaalsContact C-N 3.29Å; L69-L72 HydrophobicContact CD2-CD1 4.16Å; L69-L72 VanDerWaalsContact O-CB 3.28Å; L69-L72 WeakPolarHBondContact O-CB 3.17Å; L69-L72 WeakPolarHBondContact O-CG 3.2Å; L69-L72 PolarHBondContact O-N 2.89Å |
| 70 | R | 96.9 | Very high | 95.9 | Very high | 7 Ų | 7 | 57 Ų | 57 | 3% | 0.026 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -49.7 | -42.2 | 179.4 | -168.4 | -177.6 | -42.6 | 106.9 | 4.8 | 113.1 | T60 A61 Q63 Y66 D67 L72 S73 Y74 E102 | T60-R70 HydrophobicContact CG2-CG 4.18Å; A61-R70 PolarHBondContact O-NE 2.53Å; A61-R70 PolarHBondContact O-NH2 2.71Å; Q63-R70 PolarHBondContact O-NH2 2.69Å; Y66-R70 PolarHBondContact O-N 3.32Å; D67-R70 IonicContact OD1-CZ 3.56Å; D67-R70 VanDerWaalsContact OD1-CZ 3.24Å; D67-R70 IonicContact OD1-NH1 2.96Å; D67-R70 PolarHBondContact OD1-NH1 3.49Å; D67-R70 IonicContact OD1-NH2 2.73Å; D67-R70 PolarHBondContact OD1-NH2 3.31Å; R70-L72 PolarHBondContact O-N 2.91Å; R70-L72 VanDerWaalsContact O-N 3.08Å; R70-S73 VanDerWaalsContact O-CB 3.28Å; R70-S73 WeakPolarHBondContact O-CB 3.4Å; R70-S73 PolarHBondContact O-N 3.23Å; R70-S73 PolarHBondContact O-OG 2.93Å; R70-Y74 VanDerWaalsContact CD-OH 3.32Å; R70-Y74 WeakPolarHBondContact CD-OH 2.98Å; R70-E102 WeakPolarHBondContact CD-OE1 3.48Å; R70-E102 IonicContact CZ-OE2 2.94Å; R70-E102 IonicContact NH1-OE1 3.79Å; R70-E102 PolarHBondContact NH1-OE1 3.49Å; R70-E102 IonicContact NH1-OE2 2.67Å; R70-E102 PolarHBondContact NH1-OE2 3.35Å |
| 71 | P | 97.4 | Very high | 96 | Very high | 22 Ų | 22 | 56.9 Ų | 56.9 | 14% | 0.143 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -62 | -20.2 | -179.5 | -26.9 | 37.5 | 0 | 0 | 0 | 115.6 | D67 L69 S73 Y74 P75 F106 | D67-P71 WeakPolarHBondContact O-CD 3.2Å; D67-P71 WeakPolarHBondContact O-CG 3.31Å; L69-P71 VanDerWaalsContact C-CD 3.4Å; L69-P71 VanDerWaalsContact C-N 3.29Å; P71-S73 PolarHBondContact O-N 3.44Å; P71-Y74 VanDerWaalsContact CA-CD2 3.45Å; P71-Y74 HydrophobicContact CB-CD2 4.01Å; P71-Y74 HydrophobicContact CB-CE2 4.24Å; P71-Y74 HydrophobicContact CG-CE2 4.35Å; P71-Y74 PolarHBondContact O-N 2.96Å; P71-Y74 VanDerWaalsContact O-N 3.1Å; P71-P75 WeakPolarHBondContact O-CD 3.32Å; P71-F106 HydrophobicContact CB-CD1 4.08Å; P71-F106 HydrophobicContact CB-CD2 4.1Å; P71-F106 HydrophobicContact CB-CE1 3.7Å; P71-F106 HydrophobicContact CB-CE2 3.73Å; P71-F106 HydrophobicContact CB-CG 4.28Å; P71-F106 HydrophobicContact CB-CZ 3.52Å; P71-F106 HydrophobicContact CG-CD2 4.23Å; P71-F106 HydrophobicContact CG-CE1 4.29Å; P71-F106 HydrophobicContact CG-CE2 3.55Å; P71-F106 HydrophobicContact CG-CZ 3.59Å |
| 72 | L | 96.4 | Very high | 96.1 | Very high | 127 Ų | 127 | 56.8 Ų | 56.8 | 67% | 0.665 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -64.5 | -17.6 | 173.8 | -57.5 | 178 | 0 | 0 | 0 | 112.4 | L69 R70 P75 | L69-L72 HydrophobicContact CD2-CD1 4.16Å; L69-L72 VanDerWaalsContact O-CB 3.28Å; L69-L72 WeakPolarHBondContact O-CB 3.17Å; L69-L72 WeakPolarHBondContact O-CG 3.2Å; L69-L72 PolarHBondContact O-N 2.89Å; R70-L72 PolarHBondContact O-N 2.91Å; R70-L72 VanDerWaalsContact O-N 3.08Å; L72-P75 WeakPolarHBondContact O-CD 3.31Å |
| 73 | S | 97.5 | Very high | 96.4 | Very high | 6 Ų | 6 | 56.3 Ų | 56.3 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -81.7 | -18 | 175.4 | -58.1 | 0 | 0 | 0 | 0 | 113.4 | K7 V9 F39 R70 P71 | K7-S73 WeakPolarHBondContact CE-O 3.39Å; K7-S73 PolarHBondContact NZ-O 2.73Å; V9-S73 WeakPolarHBondContact CG2-O 3.29Å; F39-S73 WeakPolarHBondContact CE2-OG 3.28Å; R70-S73 VanDerWaalsContact O-CB 3.28Å; R70-S73 WeakPolarHBondContact O-CB 3.4Å; R70-S73 PolarHBondContact O-N 3.23Å; R70-S73 PolarHBondContact O-OG 2.93Å; P71-S73 PolarHBondContact O-N 3.44Å |
| 74 | Y | 98.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | trans | -78.8 | -26.4 | -172.2 | -64.5 | -32.2 | 0 | 0 | 0 | 118 | V9 V11 R70 P71 D76 T77 I80 E102 F106 | V9-Y74 HydrophobicContact CG1-CD1 3.99Å; V9-Y74 HydrophobicContact CG1-CE1 3.84Å; V11-Y74 HydrophobicContact CG1-CE1 3.78Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.47Å; R70-Y74 VanDerWaalsContact CD-OH 3.32Å; R70-Y74 WeakPolarHBondContact CD-OH 2.98Å; P71-Y74 VanDerWaalsContact CA-CD2 3.45Å; P71-Y74 HydrophobicContact CB-CD2 4.01Å; P71-Y74 HydrophobicContact CB-CE2 4.24Å; P71-Y74 HydrophobicContact CG-CE2 4.35Å; P71-Y74 PolarHBondContact O-N 2.96Å; P71-Y74 VanDerWaalsContact O-N 3.1Å; Y74-D76 PolarHBondContact O-N 3.3Å; Y74-T77 WeakPolarHBondContact O-CB 3.34Å; Y74-T77 PolarHBondContact O-N 3.03Å; Y74-T77 PolarHBondContact O-OG1 3.42Å; Y74-I80 HydrophobicContact CD1-CD1 4.4Å; Y74-I80 HydrophobicContact CE1-CD1 4.44Å; Y74-E102 HydrophobicContact CE2-CG 4.09Å; Y74-E102 WeakPolarHBondContact CE2-OE1 3.43Å; Y74-E102 PolarHBondContact OH-OE1 3.08Å; Y74-F106 HydrophobicContact CD2-CB 3.31Å; Y74-F106 HydrophobicContact CD2-CD1 4.41Å; Y74-F106 AromaticContact CD2-CD2 3.59Å; Y74-F106 HydrophobicContact CD2-CD2 3.59Å; Y74-F106 AromaticContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CE2-CB 4.12Å; Y74-F106 AromaticContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CE2 4.43Å; Y74-F106 HydrophobicContact CE2-CG 4.11Å; Y74-F106 HydrophobicContact CG-CB 3.96Å | ||
| 75 | P | 97.2 | Very high | 97.1 | Very high | 75 Ų | 75 | 46.9 Ų | 46.9 | 49% | 0.487 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 136.4 | 178.9 | -29.3 | 36.3 | 0 | 0 | 0 | 112.7 | K7 P71 L72 T77 | K7-P75 PolarHBondContact NZ-O 3.32Å; P71-P75 WeakPolarHBondContact O-CD 3.32Å; L72-P75 WeakPolarHBondContact O-CD 3.31Å; P75-T77 PolarHBondContact O-N 3.32Å |
| 76 | D | 96 | Very high | 97.4 | Very high | 108 Ų | 108 | 40.1 Ų | 40.1 | 58% | 0.578 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 22.7 | 179.2 | -59.4 | -62 | 0 | 0 | 0 | 115.5 | Y74 | Y74-D76 PolarHBondContact O-N 3.3Š|
| 77 | T | 98.4 | Very high | 97.6 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 8% | 0.08 | 20% | 0.195 | C | C | . | . | trans | -65.8 | 133.7 | 175 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | V9 Y74 P75 V79 I80 V110 | V9-T77 HydrophobicContact CB-CG2 4.05Å; V9-T77 HydrophobicContact CG2-CG2 3.75Å; V9-T77 VanDerWaalsContact CG2-OG1 3.24Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.28Å; Y74-T77 WeakPolarHBondContact O-CB 3.34Å; Y74-T77 PolarHBondContact O-N 3.03Å; Y74-T77 PolarHBondContact O-OG1 3.42Å; P75-T77 PolarHBondContact O-N 3.32Å; T77-V79 WeakPolarHBondContact CG2-O 3.32Å; T77-I80 HydrophobicContact CG2-CD1 3.84Å; T77-I80 HydrophobicContact CG2-CG1 4.26Å; T77-V110 HydrophobicContact CG2-CG1 4.01Å; T77-V110 WeakPolarHBondContact O-CG2 3.37Å | ||
| 78 | D | 98.4 | Very high | 97.8 | Very high | 27 Ų | 27 | 38 Ų | 38 | 14% | 0.144 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -96.5 | -27.4 | 177.1 | -68 | -83.8 | 0 | 0 | 0 | 113.2 | K6 K7 P111 A178 | K6-D78 WeakPolarHBondContact CA-OD2 3.3Å; K6-D78 HydrophobicContact CB-CB 4.41Å; K6-D78 HydrophobicContact CD-CB 3.7Å; K6-D78 WeakPolarHBondContact CD-OD1 3.34Å; K6-D78 IonicContact NZ-OD1 3.2Å; K6-D78 PolarHBondContact NZ-OD1 3.01Å; K7-D78 PolarHBondContact N-OD2 2.87Å; K7-D78 WeakPolarHBondContact O-CA 3.24Å; K7-D78 WeakPolarHBondContact O-CB 3.08Å; K7-D78 PolarHBondContact O-N 2.91Å; D78-P111 WeakPolarHBondContact O-CD 3.38Å; D78-A178 HydrophobicContact CB-CB 4.04Å |
| 79 | V | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 146.6 | 176.2 | 61.6 | 0 | 0 | 0 | 0 | 111.1 | K7 L8 V9 T77 P111 I113 A174 A177 A178 | K7-V79 PolarHBondContact O-N 3.13Å; L8-V79 WeakPolarHBondContact CA-O 3.27Å; L8-V79 HydrophobicContact CB-CG1 3.85Å; L8-V79 HydrophobicContact CD1-CG1 4.04Å; L8-V79 HydrophobicContact CG-CG1 3.92Å; V9-V79 PolarHBondContact N-O 2.9Å; V9-V79 VanDerWaalsContact N-O 3.16Å; T77-V79 WeakPolarHBondContact CG2-O 3.32Å; V79-P111 HydrophobicContact CB-CG 4.32Å; V79-P111 HydrophobicContact CG2-CG 4.24Å; V79-I113 HydrophobicContact CG2-CG1 4.16Å; V79-A174 HydrophobicContact CG1-CB 4.24Å; V79-A174 HydrophobicContact CG2-CB 4.04Å; V79-A177 HydrophobicContact CG2-CB 4.38Å; V79-A178 HydrophobicContact CB-CB 3.94Å; V79-A178 HydrophobicContact CG1-CB 3.91Å |
| 80 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 129.5 | 174.2 | -63.6 | -75.8 | 0 | 0 | 0 | 109.4 | V9 V11 Y74 T77 M82 V103 V110 P111 I112 I113 | V9-I80 HydrophobicContact CB-CD1 3.98Å; V9-I80 HydrophobicContact CG1-CD1 4.48Å; V9-I80 WeakPolarHBondContact O-CA 3.38Å; V11-I80 HydrophobicContact CG2-CG2 3.99Å; Y74-I80 HydrophobicContact CD1-CD1 4.4Å; Y74-I80 HydrophobicContact CE1-CD1 4.44Å; T77-I80 HydrophobicContact CG2-CD1 3.84Å; T77-I80 HydrophobicContact CG2-CG1 4.26Å; I80-M82 HydrophobicContact CG2-CB 4.26Å; I80-V103 HydrophobicContact CB-CG1 4.37Å; I80-V103 HydrophobicContact CD1-CG1 4.27Å; I80-V103 HydrophobicContact CG1-CG1 3.8Å; I80-V103 HydrophobicContact CG2-CG1 4.19Å; I80-V103 HydrophobicContact CG2-CG2 4.2Å; I80-V110 HydrophobicContact CG1-CB 4.48Å; I80-V110 HydrophobicContact CG1-CG1 3.87Å; I80-P111 PolarHBondContact N-O 2.64Å; I80-I112 HydrophobicContact CB-CG1 4.13Å; I80-I112 HydrophobicContact CG2-CG1 4.38Å; I80-I112 HydrophobicContact CG2-CG2 4.48Å; I80-I113 PolarHBondContact O-N 2.87Å |
| 81 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 116.4 | 157.3 | -68.3 | -170.5 | 0 | 0 | 0 | 108.2 | L8 V9 I10 V11 L21 I113 V115 V170 F171 A174 | L8-L81 HydrophobicContact CD1-CD1 3.96Å; L8-L81 HydrophobicContact CD1-CD2 4.5Å; L8-L81 HydrophobicContact CD1-CG 3.88Å; L8-L81 HydrophobicContact CD2-CB 4.41Å; L8-L81 HydrophobicContact CD2-CD1 3.94Å; L8-L81 HydrophobicContact CD2-CG 3.89Å; L8-L81 HydrophobicContact CG-CD1 4.41Å; L8-L81 HydrophobicContact CG-CG 4.07Å; V9-L81 PolarHBondContact O-N 3.13Å; I10-L81 CarbonylContact C-O 3.44Å; I10-L81 VanDerWaalsContact CA-O 3.31Å; I10-L81 WeakPolarHBondContact CA-O 3.39Å; I10-L81 HydrophobicContact CB-CB 4.15Å; I10-L81 HydrophobicContact CD1-CB 4.22Å; I10-L81 HydrophobicContact CD1-CD1 4.22Å; I10-L81 HydrophobicContact CG1-CB 3.83Å; V11-L81 PolarHBondContact N-O 2.87Å; L21-L81 HydrophobicContact CD2-CD1 4.36Å; L81-I113 HydrophobicContact CD2-CB 3.71Å; L81-I113 HydrophobicContact CD2-CG1 4.09Å; L81-I113 HydrophobicContact CD2-CG2 4.25Å; L81-V115 HydrophobicContact CD2-CG2 3.97Å; L81-V170 HydrophobicContact CD1-CG1 3.9Å; L81-V170 HydrophobicContact CD2-CG1 3.94Å; L81-F171 HydrophobicContact CD1-CE1 3.98Å; L81-F171 HydrophobicContact CD1-CZ 4.2Å; L81-A174 HydrophobicContact CD2-CB 3.78Å |
| 82 | M | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 114.3 | 176.4 | -170.3 | 179 | -73.4 | 0 | 0 | 108.1 | V11 I80 I95 W99 V103 I112 I113 L114 V115 I151 | V11-M82 HydrophobicContact CG2-CB 4.22Å; V11-M82 HydrophobicContact CG2-CE 4.49Å; V11-M82 HydrophobicContact CG2-CG 4.06Å; I80-M82 HydrophobicContact CG2-CB 4.26Å; M82-I95 HydrophobicContact CG-CD1 3.73Å; M82-I95 HydrophobicContact SD-CD1 4.16Å; M82-I95 HydrophobicContact SD-CG2 3.74Å; M82-W99 HydrophobicContact CE-CB 4.12Å; M82-W99 HydrophobicContact CG-CB 4.09Å; M82-W99 HydrophobicContact SD-CB 3.92Å; M82-V103 HydrophobicContact CE-CB 3.83Å; M82-V103 HydrophobicContact CE-CG1 4.26Å; M82-V103 HydrophobicContact CE-CG2 3.67Å; M82-I112 HydrophobicContact CB-CG2 3.71Å; M82-I112 HydrophobicContact CE-CD1 3.99Å; M82-I112 HydrophobicContact CE-CG2 4.1Å; M82-I112 HydrophobicContact SD-CG2 4.29Å; M82-I113 PolarHBondContact N-O 2.83Å; M82-L114 HydrophobicContact CB-CD1 4.47Å; M82-L114 HydrophobicContact CG-CD1 4.44Å; M82-L114 CarbonylContact O-C 3.59Å; M82-L114 WeakPolarHBondContact O-CA 3.4Å; M82-L114 WeakPolarHBondContact O-CD1 3.39Å; M82-V115 PolarHBondContact O-N 2.93Å; M82-I151 HydrophobicContact SD-CD1 3.92Å |
| 83 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 136.4 | -167.2 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | I10 V11 G12 K18 V115 | I10-C83 VanDerWaalsContact CD1-SG 3.56Å; V11-C83 PolarHBondContact O-N 2.85Å; G12-C83 VanDerWaalsContact CA-O 3.29Å; G12-C83 WeakPolarHBondContact CA-O 3.39Å; K18-C83 HydrophobicContact CG-CB 4.11Å; C83-V115 WeakPolarHBondContact CA-O 3.34Å |
| 84 | F | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 175.2 | 159.8 | 71.8 | -85.2 | 0 | 0 | 0 | 108.8 | I86 S91 L92 I95 L114 V115 G116 N117 V139 Y156 | F84-I86 HydrophobicContact CE2-CG1 4.16Å; F84-S91 WeakPolarHBondContact CB-O 3.3Å; F84-L92 HydrophobicContact CB-CB 4.39Å; F84-L92 HydrophobicContact CD1-CD1 3.65Å; F84-L92 HydrophobicContact CD2-CB 3.97Å; F84-L92 HydrophobicContact CD2-CD1 4.04Å; F84-L92 HydrophobicContact CE1-CD1 3.66Å; F84-L92 HydrophobicContact CE2-CB 4.49Å; F84-L92 HydrophobicContact CE2-CD1 4.09Å; F84-L92 HydrophobicContact CG-CB 4.15Å; F84-L92 HydrophobicContact CG-CD1 3.83Å; F84-L92 HydrophobicContact CZ-CD1 3.89Å; F84-I95 HydrophobicContact CB-CD1 4.21Å; F84-I95 HydrophobicContact CB-CG1 4.22Å; F84-L114 HydrophobicContact CD1-CD1 3.98Å; F84-L114 HydrophobicContact CD1-CG 4.19Å; F84-L114 HydrophobicContact CE1-CD1 4.31Å; F84-L114 HydrophobicContact CE1-CD2 4.16Å; F84-L114 HydrophobicContact CE1-CG 4.01Å; F84-V115 WeakPolarHBondContact CD1-O 3.36Å; F84-V115 PolarHBondContact N-O 2.84Å; F84-G116 VanDerWaalsContact CZ-CA 3.41Å; F84-N117 WeakPolarHBondContact O-CB 3.13Å; F84-N117 PolarHBondContact O-N 2.96Å; F84-V139 HydrophobicContact CD2-CG2 4.39Å; F84-V139 HydrophobicContact CE2-CB 3.99Å; F84-V139 HydrophobicContact CE2-CG1 3.7Å; F84-V139 HydrophobicContact CE2-CG2 4.11Å; F84-V139 HydrophobicContact CZ-CG1 4.16Å; F84-Y156 AromaticContact CE1-CE2 3.77Å; F84-Y156 HydrophobicContact CE1-CE2 3.77Å; F84-Y156 AromaticContact CZ-CE2 3.9Å; F84-Y156 HydrophobicContact CZ-CE2 3.9Å |
| 85 | S | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.3 | 178.6 | -157.2 | 0 | 0 | 0 | 0 | 111.2 | D87 S88 S91 K118 | S85-D87 WeakPolarHBondContact CB-OD1 3.42Å; S85-D87 PolarHBondContact O-N 2.7Å; S85-D87 PolarHBondContact OG-OD1 2.86Å; S85-S88 CarbonylContact O-C 3.58Å; S85-S88 PolarHBondContact O-N 2.77Å; S85-S88 VanDerWaalsContact O-O 3.09Å; S85-S91 PolarHBondContact N-OG 2.92Å; S85-S91 PolarHBondContact O-OG 2.94Å; S85-K118 WeakPolarHBondContact OG-CD 3.41Å; S85-K118 WeakPolarHBondContact OG-CE 3.3Å; S85-K118 WeakPolarHBondContact OG-CG 3.36Å; S85-K118 PolarHBondContact OG-NZ 3.21Å; S85-K118 VanDerWaalsContact OG-NZ 3.14Å |
| 86 | I | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -28.4 | -177 | -73.8 | 162.5 | 0 | 0 | 0 | 112.1 | F84 S88 N117 K119 R122 P138 V139 E158 | F84-I86 HydrophobicContact CE2-CG1 4.16Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 3.26Å; I86-N117 WeakPolarHBondContact CB-O 3.3Å; I86-N117 WeakPolarHBondContact CG1-O 3.38Å; I86-N117 PolarHBondContact N-O 2.71Å; I86-K119 VanDerWaalsContact CD1-CA 3.44Å; I86-K119 HydrophobicContact CD1-CB 3.8Å; I86-K119 HydrophobicContact CD1-CG 4.23Å; I86-R122 VanDerWaalsContact CD1-NH2 3.29Å; I86-R122 HydrophobicContact CG2-CB 3.89Å; I86-R122 HydrophobicContact CG2-CG 4.46Å; I86-P138 HydrophobicContact CG2-CB 4.08Å; I86-P138 CarbonylContact O-C 3.55Å; I86-P138 VanDerWaalsContact O-CA 3.25Å; I86-P138 WeakPolarHBondContact O-CA 3.2Å; I86-V139 PolarHBondContact O-N 3.43Å; I86-E158 HydrophobicContact CD1-CB 4.34Å; I86-E158 HydrophobicContact CD1-CG 4.23Å |
| 87 | D | 98.6 | Very high | 98.7 | Very high | 37 Ų | 37 | 26 Ų | 26 | 20% | 0.198 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 3.9 | 173.6 | 69.1 | -26 | 0 | 0 | 0 | 114.1 | S85 K118 L121 T127 | S85-D87 WeakPolarHBondContact CB-OD1 3.42Å; S85-D87 PolarHBondContact O-N 2.7Å; S85-D87 PolarHBondContact OG-OD1 2.86Å; D87-K118 WeakPolarHBondContact OD1-CD 3.34Å; D87-K118 IonicContact OD1-NZ 3.24Å; D87-K118 PolarHBondContact OD1-NZ 3.46Å; D87-K118 IonicContact OD2-NZ 2.7Å; D87-K118 PolarHBondContact OD2-NZ 2.9Å; D87-L121 HydrophobicContact CB-CB 4.07Å; D87-L121 HydrophobicContact CB-CD1 3.75Å; D87-L121 VanDerWaalsContact OD2-CD1 3.29Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.45Å; D87-T127 HydrophobicContact CB-CG2 3.59Å |
| 88 | S | 98.6 | Very high | 98.7 | Very high | 41 Ų | 41 | 27.1 Ų | 27.1 | 29% | 0.287 | 14% | 0.141 | S | C | . | . | B | Isolated β-bridge | trans | -140 | 89.4 | -178.2 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | S85 I86 D90 S91 | S85-S88 CarbonylContact O-C 3.58Å; S85-S88 PolarHBondContact O-N 2.77Å; S85-S88 VanDerWaalsContact O-O 3.09Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 3.26Å; S88-D90 VanDerWaalsContact C-N 3.27Å; S88-D90 PolarHBondContact O-N 2.89Å; S88-S91 WeakPolarHBondContact O-CB 3.46Å; S88-S91 PolarHBondContact O-N 2.78Å; S88-S91 PolarHBondContact O-OG 3.34Å |
| 89 | P | 98.7 | Very high | 98.7 | Very high | 19 Ų | 19 | 25.9 Ų | 25.9 | 12% | 0.123 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -54.6 | -39.8 | 177.9 | -29.9 | 39.5 | 0 | 0 | 0 | 113.7 | S91 L92 E93 L131 Q136 E137 V139 | P89-S91 PolarHBondContact O-N 2.99Å; P89-S91 VanDerWaalsContact O-N 3.15Å; P89-L92 WeakPolarHBondContact O-CA 3.42Å; P89-L92 WeakPolarHBondContact O-CB 3.16Å; P89-L92 PolarHBondContact O-N 3.42Å; P89-E93 PolarHBondContact O-N 3.5Å; P89-E93 VanDerWaalsContact O-N 3.15Å; P89-L131 HydrophobicContact CG-CD2 4.46Å; P89-Q136 HydrophobicContact CG-CB 4.22Å; P89-Q136 HydrophobicContact CG-CG 4.46Å; P89-E137 WeakPolarHBondContact CG-O 3.49Å; P89-V139 HydrophobicContact CB-CG2 4.46Å; P89-V139 HydrophobicContact CG-CG2 4.42Å |
| 90 | D | 98.4 | Very high | 98.7 | Very high | 74 Ų | 74 | 26.3 Ų | 26.3 | 40% | 0.396 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -54.3 | -36.4 | 175.9 | -56.6 | -0.5 | 0 | 0 | 0 | 112 | S88 L92 E93 N94 Q136 | S88-D90 VanDerWaalsContact C-N 3.27Å; S88-D90 PolarHBondContact O-N 2.89Å; D90-L92 VanDerWaalsContact C-N 3.25Å; D90-L92 PolarHBondContact O-N 3.49Å; D90-E93 WeakPolarHBondContact O-CB 3.28Å; D90-E93 PolarHBondContact O-N 2.96Å; D90-E93 VanDerWaalsContact O-N 3.12Å; D90-N94 PolarHBondContact O-N 3.46Å; D90-N94 PolarHBondContact O-ND2 3.08Å; D90-Q136 PolarHBondContact OD1-NE2 3.07Å |
| 91 | S | 98.8 | Very high | 98.7 | Very high | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.014 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.5 | -23.2 | 178.5 | 74.5 | 0 | 0 | 0 | 0 | 113.7 | D13 F84 S85 S88 P89 I95 | D13-S91 VanDerWaalsContact OD2-CA 3.28Å; D13-S91 WeakPolarHBondContact OD2-CA 3.33Å; D13-S91 WeakPolarHBondContact OD2-CB 3.32Å; F84-S91 WeakPolarHBondContact CB-O 3.3Å; S85-S91 PolarHBondContact N-OG 2.92Å; S85-S91 PolarHBondContact O-OG 2.94Å; S88-S91 WeakPolarHBondContact O-CB 3.46Å; S88-S91 PolarHBondContact O-N 2.78Å; S88-S91 PolarHBondContact O-OG 3.34Å; P89-S91 PolarHBondContact O-N 2.99Å; P89-S91 VanDerWaalsContact O-N 3.15Å; S91-I95 WeakPolarHBondContact O-CG1 3.42Å |
| 92 | L | 98.9 | Very high | 98.6 | Very high | 13 Ų | 13 | 30.9 Ų | 30.9 | 7% | 0.068 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -77.5 | -40.7 | 169.1 | -178 | 70.3 | 0 | 0 | 0 | 110.7 | F84 P89 D90 N94 I95 P96 V139 E143 M147 | F84-L92 HydrophobicContact CB-CB 4.39Å; F84-L92 HydrophobicContact CD1-CD1 3.65Å; F84-L92 HydrophobicContact CD2-CB 3.97Å; F84-L92 HydrophobicContact CD2-CD1 4.04Å; F84-L92 HydrophobicContact CE1-CD1 3.66Å; F84-L92 HydrophobicContact CE2-CB 4.49Å; F84-L92 HydrophobicContact CE2-CD1 4.09Å; F84-L92 HydrophobicContact CG-CB 4.15Å; F84-L92 HydrophobicContact CG-CD1 3.83Å; F84-L92 HydrophobicContact CZ-CD1 3.89Å; P89-L92 WeakPolarHBondContact O-CA 3.42Å; P89-L92 WeakPolarHBondContact O-CB 3.16Å; P89-L92 PolarHBondContact O-N 3.42Å; D90-L92 VanDerWaalsContact C-N 3.25Å; D90-L92 PolarHBondContact O-N 3.49Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 2.91Å; L92-I95 HydrophobicContact CD1-CG1 4.37Å; L92-I95 WeakPolarHBondContact O-CB 3.43Å; L92-I95 VanDerWaalsContact O-CG1 3.32Å; L92-I95 WeakPolarHBondContact O-CG1 3.49Å; L92-I95 PolarHBondContact O-N 2.85Å; L92-I95 VanDerWaalsContact O-N 3.07Å; L92-P96 WeakPolarHBondContact O-CD 3.42Å; L92-V139 HydrophobicContact CB-CG2 4.39Å; L92-V139 HydrophobicContact CD2-CG1 3.77Å; L92-V139 HydrophobicContact CD2-CG2 4.35Å; L92-E143 HydrophobicContact CD2-CB 4.13Å; L92-M147 HydrophobicContact CD1-CB 3.79Å; L92-M147 HydrophobicContact CD1-CE 4.41Å; L92-M147 HydrophobicContact CD1-CG 3.75Å; L92-M147 HydrophobicContact CG-CB 4.47Å; L92-M147 HydrophobicContact CG-CE 4.07Å; L92-M147 HydrophobicContact CG-CG 4.41Å |
| 93 | E | 98.6 | Very high | 98.6 | Very high | 108 Ų | 108 | 30.9 Ų | 30.9 | 51% | 0.505 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -61.5 | -35.7 | 177.7 | -64.3 | -178.9 | 175.8 | 0 | 0 | 111.9 | P89 D90 I95 P96 E97 | P89-E93 PolarHBondContact O-N 3.5Å; P89-E93 VanDerWaalsContact O-N 3.15Å; D90-E93 WeakPolarHBondContact O-CB 3.28Å; D90-E93 PolarHBondContact O-N 2.96Å; D90-E93 VanDerWaalsContact O-N 3.12Å; E93-I95 PolarHBondContact O-N 3.49Å; E93-P96 WeakPolarHBondContact O-CD 3.49Å; E93-P96 WeakPolarHBondContact O-CG 3.42Å; E93-E97 WeakPolarHBondContact O-CG 3.2Å |
| 94 | N | 98.8 | Very high | 98.6 | Very high | 47 Ų | 47 | 35.9 Ų | 35.9 | 25% | 0.251 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68 | -15.6 | 175.6 | -72.5 | -27.9 | 0 | 0 | 0 | 113.9 | D13 D90 L92 E97 K98 W99 | D13-N94 PolarHBondContact OD2-ND2 3.45Å; D90-N94 PolarHBondContact O-N 3.46Å; D90-N94 PolarHBondContact O-ND2 3.08Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 2.91Å; N94-E97 PolarHBondContact O-N 2.91Å; N94-K98 WeakPolarHBondContact O-CB 3.49Å; N94-K98 PolarHBondContact O-N 3.22Å; N94-W99 PolarHBondContact O-N 3.28Å |
| 95 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -59.2 | -56.7 | -179.8 | -64.9 | -69.4 | 0 | 0 | 0 | 111.9 | M82 F84 S91 L92 E93 W99 T100 L114 M147 I151 | M82-I95 HydrophobicContact CG-CD1 3.73Å; M82-I95 HydrophobicContact SD-CD1 4.16Å; M82-I95 HydrophobicContact SD-CG2 3.74Å; F84-I95 HydrophobicContact CB-CD1 4.21Å; F84-I95 HydrophobicContact CB-CG1 4.22Å; S91-I95 WeakPolarHBondContact O-CG1 3.42Å; L92-I95 HydrophobicContact CD1-CG1 4.37Å; L92-I95 WeakPolarHBondContact O-CB 3.43Å; L92-I95 VanDerWaalsContact O-CG1 3.32Å; L92-I95 WeakPolarHBondContact O-CG1 3.49Å; L92-I95 PolarHBondContact O-N 2.85Å; L92-I95 VanDerWaalsContact O-N 3.07Å; E93-I95 PolarHBondContact O-N 3.49Å; I95-W99 PolarHBondContact O-N 3.37Å; I95-T100 WeakPolarHBondContact O-CB 3.35Å; I95-T100 PolarHBondContact O-N 3.06Å; I95-T100 PolarHBondContact O-OG1 3.18Å; I95-L114 HydrophobicContact CD1-CD1 3.8Å; I95-L114 HydrophobicContact CG1-CD1 4.07Å; I95-L114 HydrophobicContact CG2-CD1 3.87Å; I95-M147 HydrophobicContact CB-CG 4.22Å; I95-M147 HydrophobicContact CG2-CG 3.89Å; I95-M147 HydrophobicContact CG2-SD 4.34Å; I95-I151 HydrophobicContact CG2-CD1 3.81Å; I95-I151 HydrophobicContact CG2-CG2 4.07Å |
| 96 | P | 98.6 | Very high | 98.5 | Very high | 24 Ų | 24 | 47 Ų | 47 | 16% | 0.156 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -76.4 | -25.3 | 177.4 | 29.6 | -37.3 | 0 | 0 | 0 | 113.2 | L92 E93 P101 M147 I151 | L92-P96 WeakPolarHBondContact O-CD 3.42Å; E93-P96 WeakPolarHBondContact O-CD 3.49Å; E93-P96 WeakPolarHBondContact O-CG 3.42Å; P96-P101 WeakPolarHBondContact O-CD 3.45Å; P96-P101 WeakPolarHBondContact O-CG 3.47Å; P96-M147 HydrophobicContact CB-SD 4.26Å; P96-M147 VanDerWaalsContact CD-SD 3.5Å; P96-M147 HydrophobicContact CG-CE 3.82Å; P96-M147 HydrophobicContact CG-SD 3.76Å; P96-I151 HydrophobicContact CB-CG2 4.33Å |
| 97 | E | 97.8 | Very high | 98.4 | Very high | 140 Ų | 140 | 47.3 Ų | 47.3 | 65% | 0.654 | 24% | 0.239 | S | C | * | . | I | π-helix | trans | -82.4 | -36.3 | -173.8 | -64.9 | -172.3 | 175.9 | 0 | 0 | 113.1 | E93 N94 | E93-E97 WeakPolarHBondContact O-CG 3.2Å; N94-E97 PolarHBondContact O-N 2.91Å |
| 98 | K | 97.9 | Very high | 98.2 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 16% | 0.161 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -121.5 | -59.8 | -173.4 | 178.5 | 177.5 | -177.7 | 169.5 | 0 | 112.6 | E64 N94 P101 E102 | E64-K98 IonicContact OE1-NZ 3.76Å; E64-K98 PolarHBondContact OE1-NZ 3.46Å; N94-K98 WeakPolarHBondContact O-CB 3.49Å; N94-K98 PolarHBondContact O-N 3.22Å; K98-P101 WeakPolarHBondContact O-CD 3.25Å; K98-E102 PolarHBondContact O-N 3.36Å |
| 99 | W | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -71.5 | -40.7 | -168 | -62 | 109.5 | 0 | 0 | 0 | 113.1 | V11 G12 D13 M82 N94 I95 V103 | V11-W99 HydrophobicContact CB-CE3 3.88Å; V11-W99 HydrophobicContact CB-CZ3 4.13Å; V11-W99 HydrophobicContact CG2-CE3 4.25Å; G12-W99 WeakPolarHBondContact O-CH2 3.36Å; G12-W99 WeakPolarHBondContact O-CZ2 3.37Å; D13-W99 WeakPolarHBondContact OD1-CZ2 3.19Å; D13-W99 PolarHBondContact OD1-NE1 3.45Å; M82-W99 HydrophobicContact CE-CB 4.12Å; M82-W99 HydrophobicContact CG-CB 4.09Å; M82-W99 HydrophobicContact SD-CB 3.92Å; N94-W99 PolarHBondContact O-N 3.28Å; I95-W99 PolarHBondContact O-N 3.37Å; W99-V103 WeakPolarHBondContact O-CB 3.45Å; W99-V103 WeakPolarHBondContact O-CG2 3.42Å; W99-V103 PolarHBondContact O-N 3.41Å |
| 100 | T | 98.7 | Very high | 97.9 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -48 | 179.7 | -60.9 | 0 | 0 | 0 | 0 | 112.3 | I95 E102 V103 K104 I151 | I95-T100 WeakPolarHBondContact O-CB 3.35Å; I95-T100 PolarHBondContact O-N 3.06Å; I95-T100 PolarHBondContact O-OG1 3.18Å; T100-E102 PolarHBondContact O-N 2.99Å; T100-V103 PolarHBondContact O-N 3.34Å; T100-K104 HydrophobicContact CG2-CD 3.78Å; T100-K104 HydrophobicContact CG2-CG 4.22Å; T100-K104 VanDerWaalsContact O-CB 3.3Å; T100-K104 WeakPolarHBondContact O-CB 3.29Å; T100-K104 WeakPolarHBondContact O-CG 3.37Å; T100-K104 PolarHBondContact O-N 2.9Å; T100-I151 HydrophobicContact CG2-CB 3.99Å; T100-I151 HydrophobicContact CG2-CG2 4.14Å; T100-I151 WeakPolarHBondContact OG1-CG2 3.42Å |
| 101 | P | 98.4 | Very high | 97.9 | Very high | 70 Ų | 70 | 52.6 Ų | 52.6 | 46% | 0.455 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -56.4 | -45.8 | 173.9 | -28.7 | 36.2 | 0 | 0 | 0 | 113.3 | P96 K98 K104 H105 | P96-P101 WeakPolarHBondContact O-CD 3.45Å; P96-P101 WeakPolarHBondContact O-CG 3.47Å; K98-P101 WeakPolarHBondContact O-CD 3.25Å; P101-K104 PolarHBondContact O-N 3.34Å; P101-H105 WeakPolarHBondContact O-CB 3.39Å; P101-H105 PolarHBondContact O-N 2.95Å |
| 102 | E | 98.4 | Very high | 97.9 | Very high | 26 Ų | 26 | 53.1 Ų | 53.1 | 12% | 0.121 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.4 | -52.2 | 179.3 | -173.4 | -177.1 | 132.9 | 0 | 0 | 111.5 | R70 Y74 K98 T100 K104 H105 F106 | R70-E102 WeakPolarHBondContact CD-OE1 3.48Å; R70-E102 IonicContact CZ-OE2 2.94Å; R70-E102 IonicContact NH1-OE1 3.79Å; R70-E102 PolarHBondContact NH1-OE1 3.49Å; R70-E102 IonicContact NH1-OE2 2.67Å; R70-E102 PolarHBondContact NH1-OE2 3.35Å; Y74-E102 HydrophobicContact CE2-CG 4.09Å; Y74-E102 WeakPolarHBondContact CE2-OE1 3.43Å; Y74-E102 PolarHBondContact OH-OE1 3.08Å; K98-E102 PolarHBondContact O-N 3.36Å; T100-E102 PolarHBondContact O-N 2.99Å; E102-K104 VanDerWaalsContact C-N 3.35Å; E102-K104 PolarHBondContact O-N 2.89Å; E102-H105 WeakPolarHBondContact O-CB 3.2Å; E102-H105 PolarHBondContact O-N 3.42Å; E102-H105 VanDerWaalsContact O-N 3.13Å; E102-F106 HydrophobicContact CG-CD2 3.96Å; E102-F106 HydrophobicContact CG-CE2 3.99Å; E102-F106 VanDerWaalsContact O-CD2 3.29Å; E102-F106 WeakPolarHBondContact O-CD2 3.49Å; E102-F106 PolarHBondContact O-N 2.92Å; E102-F106 VanDerWaalsContact O-N 3.14Å |
| 103 | V | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.7 | -41.8 | -179.6 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | V11 I80 M82 W99 T100 H105 F106 C107 I112 | V11-V103 HydrophobicContact CG2-CG2 3.87Å; I80-V103 HydrophobicContact CB-CG1 4.37Å; I80-V103 HydrophobicContact CD1-CG1 4.27Å; I80-V103 HydrophobicContact CG1-CG1 3.8Å; I80-V103 HydrophobicContact CG2-CG1 4.19Å; I80-V103 HydrophobicContact CG2-CG2 4.2Å; M82-V103 HydrophobicContact CE-CB 3.83Å; M82-V103 HydrophobicContact CE-CG1 4.26Å; M82-V103 HydrophobicContact CE-CG2 3.67Å; W99-V103 WeakPolarHBondContact O-CB 3.45Å; W99-V103 WeakPolarHBondContact O-CG2 3.42Å; W99-V103 PolarHBondContact O-N 3.41Å; T100-V103 PolarHBondContact O-N 3.34Å; V103-H105 VanDerWaalsContact C-N 3.26Å; V103-H105 PolarHBondContact O-N 2.95Å; V103-F106 PolarHBondContact O-N 3.31Å; V103-C107 HydrophobicContact CG1-CB 4.15Å; V103-C107 CarbonylContact O-C 3.53Å; V103-C107 VanDerWaalsContact O-CA 3.25Å; V103-C107 WeakPolarHBondContact O-CA 3.38Å; V103-C107 VanDerWaalsContact O-CB 3.24Å; V103-C107 WeakPolarHBondContact O-CB 3.42Å; V103-C107 PolarHBondContact O-N 2.81Å; V103-I112 HydrophobicContact CG1-CD1 3.77Å; V103-I112 HydrophobicContact CG1-CG1 4Å |
| 104 | K | 97.8 | Very high | 97.9 | Very high | 105 Ų | 105 | 47.3 Ų | 47.3 | 46% | 0.457 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.3 | -27.6 | 177.8 | -73.8 | -175.6 | 177.6 | 175.3 | 0 | 112.7 | T100 P101 E102 P108 I151 | T100-K104 HydrophobicContact CG2-CD 3.78Å; T100-K104 HydrophobicContact CG2-CG 4.22Å; T100-K104 VanDerWaalsContact O-CB 3.3Å; T100-K104 WeakPolarHBondContact O-CB 3.29Å; T100-K104 WeakPolarHBondContact O-CG 3.37Å; T100-K104 PolarHBondContact O-N 2.9Å; P101-K104 PolarHBondContact O-N 3.34Å; E102-K104 VanDerWaalsContact C-N 3.35Å; E102-K104 PolarHBondContact O-N 2.89Å; K104-P108 WeakPolarHBondContact O-CA 3.24Å; K104-P108 WeakPolarHBondContact O-CB 3.36Å; K104-I151 WeakPolarHBondContact CE-O 3.22Å; K104-I151 PolarHBondContact NZ-O 2.9Å |
| 105 | H | 97.8 | Very high | 97.9 | Very high | 139 Ų | 139 | 45.1 Ų | 45.1 | 64% | 0.644 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -68.7 | -49.2 | 174.8 | -179.1 | 79.4 | 0 | 0 | 0 | 111.9 | P101 E102 V103 | P101-H105 WeakPolarHBondContact O-CB 3.39Å; P101-H105 PolarHBondContact O-N 2.95Å; E102-H105 WeakPolarHBondContact O-CB 3.2Å; E102-H105 PolarHBondContact O-N 3.42Å; E102-H105 VanDerWaalsContact O-N 3.13Å; V103-H105 VanDerWaalsContact C-N 3.26Å; V103-H105 PolarHBondContact O-N 2.95Å |
| 106 | F | 98 | Very high | 97.9 | Very high | 94 Ų | 94 | 45.1 Ų | 45.1 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -90.5 | -26.1 | -174.9 | -65.8 | -73.1 | 0 | 0 | 0 | 114.4 | P71 Y74 E102 V103 P108 | P71-F106 HydrophobicContact CB-CD1 4.08Å; P71-F106 HydrophobicContact CB-CD2 4.1Å; P71-F106 HydrophobicContact CB-CE1 3.7Å; P71-F106 HydrophobicContact CB-CE2 3.73Å; P71-F106 HydrophobicContact CB-CG 4.28Å; P71-F106 HydrophobicContact CB-CZ 3.52Å; P71-F106 HydrophobicContact CG-CD2 4.23Å; P71-F106 HydrophobicContact CG-CE1 4.29Å; P71-F106 HydrophobicContact CG-CE2 3.55Å; P71-F106 HydrophobicContact CG-CZ 3.59Å; Y74-F106 HydrophobicContact CD2-CB 3.31Å; Y74-F106 HydrophobicContact CD2-CD1 4.41Å; Y74-F106 AromaticContact CD2-CD2 3.59Å; Y74-F106 HydrophobicContact CD2-CD2 3.59Å; Y74-F106 AromaticContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CE2-CB 4.12Å; Y74-F106 AromaticContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CE2 4.43Å; Y74-F106 HydrophobicContact CE2-CG 4.11Å; Y74-F106 HydrophobicContact CG-CB 3.96Å; E102-F106 HydrophobicContact CG-CD2 3.96Å; E102-F106 HydrophobicContact CG-CE2 3.99Å; E102-F106 VanDerWaalsContact O-CD2 3.29Å; E102-F106 WeakPolarHBondContact O-CD2 3.49Å; E102-F106 PolarHBondContact O-N 2.92Å; E102-F106 VanDerWaalsContact O-N 3.14Å; V103-F106 PolarHBondContact O-N 3.31Å; F106-P108 VanDerWaalsContact C-CD 3.46Å |
| 107 | C | 97.2 | Very high | 97.9 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | trans | -129.1 | 52.4 | -173.1 | -63.8 | 0 | 0 | 0 | 0 | 112.4 | V103 N109 V110 | V103-C107 HydrophobicContact CG1-CB 4.15Å; V103-C107 CarbonylContact O-C 3.53Å; V103-C107 VanDerWaalsContact O-CA 3.25Å; V103-C107 WeakPolarHBondContact O-CA 3.38Å; V103-C107 VanDerWaalsContact O-CB 3.24Å; V103-C107 WeakPolarHBondContact O-CB 3.42Å; V103-C107 PolarHBondContact O-N 2.81Å; C107-N109 PolarHBondContact O-N 2.8Å; C107-V110 HydrophobicContact CB-CB 3.83Å; C107-V110 HydrophobicContact CB-CG2 3.63Å; C107-V110 PolarHBondContact O-N 3.18Å; C107-V110 VanDerWaalsContact O-N 3.09Å | ||
| 108 | P | 94.3 | Very high | 98 | Very high | 90 Ų | 90 | 40.1 Ų | 40.1 | 58% | 0.584 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -22.4 | -166 | 22.8 | -35.4 | 0 | 0 | 0 | 116 | K104 F106 | K104-P108 WeakPolarHBondContact O-CA 3.24Å; K104-P108 WeakPolarHBondContact O-CB 3.36Å; F106-P108 VanDerWaalsContact C-CD 3.46Å |
| 109 | N | 93.1 | Very high | 98 | Very high | 143 Ų | 143 | 41.6 Ų | 41.6 | 77% | 0.765 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.1 | 11.8 | -178 | -59.1 | -61.2 | 0 | 0 | 0 | 113.1 | C107 | C107-N109 PolarHBondContact O-N 2.8Š|
| 110 | V | 98 | Very high | 98 | Very high | 30 Ų | 30 | 44 Ų | 44 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -89 | 129.3 | -178.8 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | T77 I80 C107 | T77-V110 HydrophobicContact CG2-CG1 4.01Å; T77-V110 WeakPolarHBondContact O-CG2 3.37Å; I80-V110 HydrophobicContact CG1-CB 4.48Å; I80-V110 HydrophobicContact CG1-CG1 3.87Å; C107-V110 HydrophobicContact CB-CB 3.83Å; C107-V110 HydrophobicContact CB-CG2 3.63Å; C107-V110 PolarHBondContact O-N 3.18Å; C107-V110 VanDerWaalsContact O-N 3.09Å |
| 111 | P | 98.5 | Very high | 98 | Very high | 20 Ų | 20 | 44.9 Ų | 44.9 | 13% | 0.13 | 23% | 0.23 | C | C | . | . | trans | -62.8 | 138.9 | 177.1 | 26.3 | -34.2 | 0 | 0 | 0 | 111 | D78 V79 I80 F154 A177 A181 | D78-P111 WeakPolarHBondContact O-CD 3.38Å; V79-P111 HydrophobicContact CB-CG 4.32Å; V79-P111 HydrophobicContact CG2-CG 4.24Å; I80-P111 PolarHBondContact N-O 2.64Å; P111-F154 HydrophobicContact CB-CB 4.1Å; P111-F154 HydrophobicContact CB-CD2 4.44Å; P111-F154 HydrophobicContact CB-CG 4.46Å; P111-A177 HydrophobicContact CB-CB 3.96Å; P111-A177 HydrophobicContact CG-CB 4Å; P111-A181 HydrophobicContact CG-CB 4.23Å | ||
| 112 | I | 98.9 | Very high | 98 | Very high | 12 Ų | 12 | 43.2 Ų | 43.2 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 128.8 | 176.6 | -62.1 | 166.4 | 0 | 0 | 0 | 108.3 | I80 M82 V103 I151 A153 F154 | I80-I112 HydrophobicContact CB-CG1 4.13Å; I80-I112 HydrophobicContact CG2-CG1 4.38Å; I80-I112 HydrophobicContact CG2-CG2 4.48Å; M82-I112 HydrophobicContact CB-CG2 3.71Å; M82-I112 HydrophobicContact CE-CD1 3.99Å; M82-I112 HydrophobicContact CE-CG2 4.1Å; M82-I112 HydrophobicContact SD-CG2 4.29Å; V103-I112 HydrophobicContact CG1-CD1 3.77Å; V103-I112 HydrophobicContact CG1-CG1 4Å; I112-I151 HydrophobicContact CG2-CD1 4.34Å; I112-A153 HydrophobicContact CG2-CB 4.43Å; I112-A153 CarbonylContact O-C 3.46Å; I112-A153 WeakPolarHBondContact O-CA 3.29Å; I112-A153 WeakPolarHBondContact O-CB 3.3Å; I112-F154 PolarHBondContact O-N 3.15Å |
| 113 | I | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 120.8 | 162.6 | -48.6 | -54.2 | 0 | 0 | 0 | 107.2 | V79 I80 L81 M82 V115 F154 M173 A174 A177 | V79-I113 HydrophobicContact CG2-CG1 4.16Å; I80-I113 PolarHBondContact O-N 2.87Å; L81-I113 HydrophobicContact CD2-CB 3.71Å; L81-I113 HydrophobicContact CD2-CG1 4.09Å; L81-I113 HydrophobicContact CD2-CG2 4.25Å; M82-I113 PolarHBondContact N-O 2.83Å; I113-V115 HydrophobicContact CG2-CG2 4.05Å; I113-F154 HydrophobicContact CD1-CB 3.92Å; I113-F154 HydrophobicContact CD1-CD1 3.6Å; I113-F154 HydrophobicContact CD1-CG 4.14Å; I113-M173 HydrophobicContact CD1-CG 3.84Å; I113-M173 HydrophobicContact CD1-SD 4.1Å; I113-M173 HydrophobicContact CG1-CG 4.47Å; I113-M173 HydrophobicContact CG2-CG 4.49Å; I113-M173 HydrophobicContact CG2-SD 3.92Å; I113-A174 HydrophobicContact CG1-CB 4.04Å; I113-A177 HydrophobicContact CD1-CB 4.04Å |
| 114 | L | 99 | Very high | 98 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 129.9 | 170.9 | -174.6 | 67.7 | 0 | 0 | 0 | 108.7 | M82 F84 I95 G144 M147 A148 I151 A153 G155 Y156 M157 | M82-L114 HydrophobicContact CB-CD1 4.47Å; M82-L114 HydrophobicContact CG-CD1 4.44Å; M82-L114 CarbonylContact O-C 3.59Å; M82-L114 WeakPolarHBondContact O-CA 3.4Å; M82-L114 WeakPolarHBondContact O-CD1 3.39Å; F84-L114 HydrophobicContact CD1-CD1 3.98Å; F84-L114 HydrophobicContact CD1-CG 4.19Å; F84-L114 HydrophobicContact CE1-CD1 4.31Å; F84-L114 HydrophobicContact CE1-CD2 4.16Å; F84-L114 HydrophobicContact CE1-CG 4.01Å; I95-L114 HydrophobicContact CD1-CD1 3.8Å; I95-L114 HydrophobicContact CG1-CD1 4.07Å; I95-L114 HydrophobicContact CG2-CD1 3.87Å; L114-G144 WeakPolarHBondContact CD2-O 3.12Å; L114-M147 HydrophobicContact CD2-CB 3.86Å; L114-M147 HydrophobicContact CD2-CG 3.9Å; L114-A148 HydrophobicContact CB-CB 4.15Å; L114-A148 HydrophobicContact CD2-CB 3.89Å; L114-I151 HydrophobicContact CD1-CD1 4.34Å; L114-A153 HydrophobicContact CB-CB 4.35Å; L114-G155 PolarHBondContact N-O 2.96Å; L114-Y156 HydrophobicContact CB-CD2 4.19Å; L114-Y156 HydrophobicContact CD2-CD2 4.12Å; L114-Y156 HydrophobicContact CG-CD2 4.11Å; L114-Y156 WeakPolarHBondContact O-CA 3.24Å; L114-Y156 WeakPolarHBondContact O-CD2 3.08Å; L114-M157 PolarHBondContact O-N 2.89Å |
| 115 | V | 99 | Very high | 98 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 120.3 | -176.7 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | L21 L81 M82 C83 F84 I113 N117 M157 V170 | L21-V115 HydrophobicContact CD2-CG1 4.24Å; L81-V115 HydrophobicContact CD2-CG2 3.97Å; M82-V115 PolarHBondContact O-N 2.93Å; C83-V115 WeakPolarHBondContact CA-O 3.34Å; F84-V115 WeakPolarHBondContact CD1-O 3.36Å; F84-V115 PolarHBondContact N-O 2.84Å; I113-V115 HydrophobicContact CG2-CG2 4.05Å; V115-N117 WeakPolarHBondContact CG1-OD1 3.42Å; V115-M157 CarbonylContact C-O 3.43Å; V115-M157 VanDerWaalsContact CA-O 3.3Å; V115-M157 WeakPolarHBondContact CA-O 3.32Å; V115-V170 HydrophobicContact CG1-CG1 4.35Å; V115-V170 HydrophobicContact CG1-CG2 4.01Å; V115-V170 HydrophobicContact CG2-CG1 3.81Å; V115-V170 HydrophobicContact CG2-CG2 4.49Å |
| 116 | G | 99 | Very high | 98 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 102.7 | 168 | 0 | 0 | 0 | 0 | 0 | 110.7 | F84 M157 E158 C159 | F84-G116 VanDerWaalsContact CZ-CA 3.41Å; G116-M157 PolarHBondContact N-O 2.94Å; G116-E158 VanDerWaalsContact O-CA 3.29Å; G116-E158 WeakPolarHBondContact O-CA 3.4Å; G116-C159 PolarHBondContact O-N 3.49Å |
| 117 | N | 98.9 | Very high | 98 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 167.4 | 178.3 | -72.8 | -23.7 | 0 | 0 | 0 | 112.1 | C16 F84 I86 V115 K119 C159 | C16-N117 WeakPolarHBondContact O-CB 3.49Å; C16-N117 PolarHBondContact O-ND2 2.88Å; F84-N117 WeakPolarHBondContact O-CB 3.13Å; F84-N117 PolarHBondContact O-N 2.96Å; I86-N117 WeakPolarHBondContact CB-O 3.3Å; I86-N117 WeakPolarHBondContact CG1-O 3.38Å; I86-N117 PolarHBondContact N-O 2.71Å; V115-N117 WeakPolarHBondContact CG1-OD1 3.42Å; N117-K119 VanDerWaalsContact C-N 3.32Å; N117-K119 PolarHBondContact O-N 3.47Å; N117-C159 CarbonylContact C-O 3.46Å; N117-C159 PolarHBondContact OD1-SG 3.45Å; N117-C159 VanDerWaalsContact OD1-SG 3.41Å |
| 118 | K | 98.7 | Very high | 98.1 | Very high | 54 Ų | 54 | 52.1 Ų | 52.1 | 24% | 0.235 | 26% | 0.261 | C | S | . | . | trans | 58.2 | 40.9 | 176.5 | -47.2 | -170.2 | -153.6 | 152.4 | 0 | 113.2 | A15 S85 D87 D120 L121 C159 | A15-K118 VanDerWaalsContact O-CE 3.3Å; A15-K118 WeakPolarHBondContact O-CE 3.34Å; A15-K118 PolarHBondContact O-NZ 2.78Å; A15-K118 VanDerWaalsContact O-NZ 3.14Å; S85-K118 WeakPolarHBondContact OG-CD 3.41Å; S85-K118 WeakPolarHBondContact OG-CE 3.3Å; S85-K118 WeakPolarHBondContact OG-CG 3.36Å; S85-K118 PolarHBondContact OG-NZ 3.21Å; S85-K118 VanDerWaalsContact OG-NZ 3.14Å; D87-K118 WeakPolarHBondContact OD1-CD 3.34Å; D87-K118 IonicContact OD1-NZ 3.24Å; D87-K118 PolarHBondContact OD1-NZ 3.46Å; D87-K118 IonicContact OD2-NZ 2.7Å; D87-K118 PolarHBondContact OD2-NZ 2.9Å; K118-D120 PolarHBondContact O-N 2.8Å; K118-D120 VanDerWaalsContact O-N 3.11Å; K118-L121 HydrophobicContact CB-CD1 3.88Å; K118-L121 HydrophobicContact CB-CG 4.15Å; K118-L121 HydrophobicContact CD-CD1 3.75Å; K118-L121 HydrophobicContact CG-CD1 4.45Å; K118-L121 WeakPolarHBondContact O-CB 3.44Å; K118-L121 PolarHBondContact O-N 2.91Å; K118-C159 PolarHBondContact N-O 2.76Å; K118-C159 VanDerWaalsContact N-O 3.09Å | ||
| 119 | K | 98.9 | Very high | 98.3 | Very high | 68 Ų | 68 | 55 Ų | 55 | 30% | 0.296 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -53.8 | -30.1 | 178.7 | -175.6 | -174.3 | 172.2 | -163 | 0 | 114 | I86 N117 L121 R122 E158 C159 D165 | I86-K119 VanDerWaalsContact CD1-CA 3.44Å; I86-K119 HydrophobicContact CD1-CB 3.8Å; I86-K119 HydrophobicContact CD1-CG 4.23Å; N117-K119 VanDerWaalsContact C-N 3.32Å; N117-K119 PolarHBondContact O-N 3.47Å; K119-L121 PolarHBondContact O-N 3.18Å; K119-R122 PolarHBondContact O-N 3.15Å; K119-E158 HydrophobicContact CB-CB 4.49Å; K119-E158 HydrophobicContact CD-CB 3.87Å; K119-E158 HydrophobicContact CG-CB 4.28Å; K119-C159 VanDerWaalsContact CB-O 3.29Å; K119-C159 WeakPolarHBondContact CB-O 3.38Å; K119-C159 PolarHBondContact N-O 2.76Å; K119-D165 WeakPolarHBondContact CD-OD2 3.42Å; K119-D165 WeakPolarHBondContact CE-OD2 3.47Å; K119-D165 IonicContact NZ-OD1 3.7Å; K119-D165 IonicContact NZ-OD2 2.72Å; K119-D165 PolarHBondContact NZ-OD2 3.33Å |
| 120 | D | 98.5 | Very high | 98.5 | Very high | 51 Ų | 51 | 52 Ų | 52 | 27% | 0.273 | 24% | 0.241 | S | C | . | . | G | 310 helix | trans | -59.2 | -27.5 | 175 | 57.5 | -65.8 | 0 | 0 | 0 | 113.2 | K118 R122 S160 K162 T163 | K118-D120 PolarHBondContact O-N 2.8Å; K118-D120 VanDerWaalsContact O-N 3.11Å; D120-R122 PolarHBondContact O-N 2.83Å; D120-S160 VanDerWaalsContact CG-OG 3.23Å; D120-S160 VanDerWaalsContact OD1-CB 3.22Å; D120-S160 WeakPolarHBondContact OD1-CB 3.35Å; D120-S160 PolarHBondContact OD1-OG 3.1Å; D120-K162 WeakPolarHBondContact OD2-CD 3.25Å; D120-T163 HydrophobicContact CB-CG2 3.99Å |
| 121 | L | 98.7 | Very high | 98.6 | Very high | 29 Ų | 29 | 51.3 Ų | 51.3 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -81.8 | -9.9 | -177.6 | -59.2 | -176.8 | 0 | 0 | 0 | 114.2 | D87 K118 K119 N123 D124 T127 | D87-L121 HydrophobicContact CB-CB 4.07Å; D87-L121 HydrophobicContact CB-CD1 3.75Å; D87-L121 VanDerWaalsContact OD2-CD1 3.29Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.45Å; K118-L121 HydrophobicContact CB-CD1 3.88Å; K118-L121 HydrophobicContact CB-CG 4.15Å; K118-L121 HydrophobicContact CD-CD1 3.75Å; K118-L121 HydrophobicContact CG-CD1 4.45Å; K118-L121 WeakPolarHBondContact O-CB 3.44Å; K118-L121 PolarHBondContact O-N 2.91Å; K119-L121 PolarHBondContact O-N 3.18Å; L121-N123 PolarHBondContact O-N 2.93Å; L121-D124 HydrophobicContact CD2-CB 4.13Å; L121-D124 PolarHBondContact O-N 2.94Å; L121-T127 HydrophobicContact CB-CG2 4.18Å |
| 122 | R | 98.5 | Very high | 98.5 | Very high | 35 Ų | 35 | 53.2 Ų | 53.2 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -57.4 | -37.2 | 178.3 | -176.3 | 173.3 | -67.4 | 125.1 | -4.1 | 112.9 | I86 K119 D120 R128 P138 V139 E158 | I86-R122 VanDerWaalsContact CD1-NH2 3.29Å; I86-R122 HydrophobicContact CG2-CB 3.89Å; I86-R122 HydrophobicContact CG2-CG 4.46Å; K119-R122 PolarHBondContact O-N 3.15Å; D120-R122 PolarHBondContact O-N 2.83Å; R122-R128 VanDerWaalsContact O-CZ 3.31Å; R122-R128 PolarHBondContact O-NE 2.89Å; R122-R128 PolarHBondContact O-NH2 3.01Å; R122-P138 HydrophobicContact CG-CB 4.33Å; R122-V139 PolarHBondContact NE-O 3.19Å; R122-V139 PolarHBondContact NH2-O 3.3Å; R122-V139 VanDerWaalsContact NH2-O 3.09Å; R122-E158 IonicContact CZ-OE1 2.75Å; R122-E158 IonicContact CZ-OE2 2.89Å; R122-E158 VanDerWaalsContact CZ-OE2 3.23Å; R122-E158 IonicContact NH1-OE1 2.86Å; R122-E158 IonicContact NH1-OE2 3.23Å; R122-E158 PolarHBondContact NH1-OE2 2.92Å; R122-E158 IonicContact NH2-OE1 2.72Å; R122-E158 PolarHBondContact NH2-OE1 3.36Å; R122-E158 IonicContact NH2-OE2 3.92Å; R122-E158 PolarHBondContact NH2-OE2 3.42Å |
| 123 | N | 97.3 | Very high | 98.5 | Very high | 116 Ų | 116 | 59.2 Ų | 59.2 | 62% | 0.62 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -107 | 5.2 | -177.5 | -63.2 | -37.4 | 0 | 0 | 0 | 112.6 | L121 E125 R128 | L121-N123 PolarHBondContact O-N 2.93Å; N123-E125 PolarHBondContact O-N 3.17Å; N123-R128 PolarHBondContact OD1-NH2 2.89Å |
| 124 | D | 98.4 | Very high | 98.4 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 31% | 0.31 | 31% | 0.312 | S | S | . | . | trans | -73.2 | 123.7 | 178.5 | 176.1 | 62.8 | 0 | 0 | 0 | 110.7 | L121 H126 T127 R128 | L121-D124 HydrophobicContact CD2-CB 4.13Å; L121-D124 PolarHBondContact O-N 2.94Å; D124-H126 VanDerWaalsContact C-N 3.29Å; D124-H126 PolarHBondContact O-N 3.25Å; D124-H126 WeakPolarHBondContact OD2-CB 3.48Å; D124-H126 PolarHBondContact OD2-N 2.67Å; D124-T127 PolarHBondContact O-N 3.14Å; D124-T127 WeakPolarHBondContact OD2-CB 3.47Å; D124-T127 PolarHBondContact OD2-N 3.15Å; D124-T127 PolarHBondContact OD2-OG1 3.47Å; D124-R128 WeakPolarHBondContact O-CG 3.39Å; D124-R128 PolarHBondContact O-N 3.41Å | ||
| 125 | E | 98.2 | Very high | 98.3 | Very high | 143 Ų | 143 | 75.5 Ų | 75.5 | 67% | 0.668 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.3 | -32.4 | -175.6 | -66.6 | -173.6 | 168.1 | 0 | 0 | 112.6 | N123 R129 | N123-E125 PolarHBondContact O-N 3.17Å; E125-R129 WeakPolarHBondContact O-CB 3.28Å; E125-R129 VanDerWaalsContact O-CG 3.26Å; E125-R129 WeakPolarHBondContact O-CG 3.49Å; E125-R129 PolarHBondContact O-N 2.89Å; E125-R129 VanDerWaalsContact O-N 3.1Å; E125-R129 PolarHBondContact O-NE 2.75Å |
| 126 | H | 98.4 | Very high | 98.3 | Very high | 106 Ų | 106 | 78.4 Ų | 78.4 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -68.4 | -51.2 | 177.1 | 179.1 | 57.9 | 0 | 0 | 0 | 110.5 | D124 R128 R129 E130 | D124-H126 VanDerWaalsContact C-N 3.29Å; D124-H126 PolarHBondContact O-N 3.25Å; D124-H126 WeakPolarHBondContact OD2-CB 3.48Å; D124-H126 PolarHBondContact OD2-N 2.67Å; H126-R128 VanDerWaalsContact C-N 3.33Å; H126-R128 PolarHBondContact O-N 2.89Å; H126-R129 PolarHBondContact O-N 3.42Å; H126-R129 VanDerWaalsContact O-N 3.09Å; H126-E130 IonicContact CE1-OE1 3.52Å; H126-E130 IonicContact ND1-OE1 3.91Å; H126-E130 WeakPolarHBondContact O-CG 3.32Å; H126-E130 PolarHBondContact O-N 2.97Å |
| 127 | T | 98.5 | Very high | 98.3 | Very high | 17 Ų | 17 | 83.3 Ų | 83.3 | 10% | 0.104 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -53.7 | -48.4 | 176.2 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | D87 L121 D124 R129 E130 L131 P138 | D87-T127 HydrophobicContact CB-CG2 3.59Å; L121-T127 HydrophobicContact CB-CG2 4.18Å; D124-T127 PolarHBondContact O-N 3.14Å; D124-T127 WeakPolarHBondContact OD2-CB 3.47Å; D124-T127 PolarHBondContact OD2-N 3.15Å; D124-T127 PolarHBondContact OD2-OG1 3.47Å; T127-R129 VanDerWaalsContact C-N 3.35Å; T127-R129 PolarHBondContact O-N 3.03Å; T127-E130 PolarHBondContact O-N 3.31Å; T127-L131 HydrophobicContact CG2-CD1 3.97Å; T127-L131 PolarHBondContact O-N 3.23Å; T127-P138 HydrophobicContact CG2-CG 4.46Å |
| 128 | R | 98.6 | Very high | 98.3 | Very high | 117 Ų | 117 | 83.6 Ų | 83.6 | 44% | 0.442 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.4 | -42.1 | 177.3 | -74.3 | 177.6 | 173.7 | -166.1 | -2.8 | 112.8 | R122 N123 D124 H126 A132 P138 | R122-R128 VanDerWaalsContact O-CZ 3.31Å; R122-R128 PolarHBondContact O-NE 2.89Å; R122-R128 PolarHBondContact O-NH2 3.01Å; N123-R128 PolarHBondContact OD1-NH2 2.89Å; D124-R128 WeakPolarHBondContact O-CG 3.39Å; D124-R128 PolarHBondContact O-N 3.41Å; H126-R128 VanDerWaalsContact C-N 3.33Å; H126-R128 PolarHBondContact O-N 2.89Å; R128-A132 VanDerWaalsContact O-CB 3.25Å; R128-A132 WeakPolarHBondContact O-CB 3.43Å; R128-A132 PolarHBondContact O-N 2.99Å; R128-P138 HydrophobicContact CG-CG 3.91Å |
| 129 | R | 98.5 | Very high | 98.3 | Very high | 150 Ų | 150 | 81.1 Ų | 81.1 | 57% | 0.566 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.2 | -41.9 | 177.2 | -77.9 | -177.9 | -64.4 | -171.9 | 1.3 | 112.1 | E125 H126 T127 A132 K133 | E125-R129 WeakPolarHBondContact O-CB 3.28Å; E125-R129 VanDerWaalsContact O-CG 3.26Å; E125-R129 WeakPolarHBondContact O-CG 3.49Å; E125-R129 PolarHBondContact O-N 2.89Å; E125-R129 VanDerWaalsContact O-N 3.1Å; E125-R129 PolarHBondContact O-NE 2.75Å; H126-R129 PolarHBondContact O-N 3.42Å; H126-R129 VanDerWaalsContact O-N 3.09Å; T127-R129 VanDerWaalsContact C-N 3.35Å; T127-R129 PolarHBondContact O-N 3.03Å; R129-A132 PolarHBondContact O-N 3.35Å; R129-K133 WeakPolarHBondContact O-CG 3.18Å; R129-K133 PolarHBondContact O-N 3.36Å |
| 130 | E | 98.3 | Very high | 98.3 | Very high | 80 Ų | 80 | 81.3 Ų | 81.3 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.2 | -45.9 | 178.5 | -65.4 | -51.1 | 125.8 | 0 | 0 | 111.7 | H126 T127 A132 K133 | H126-E130 IonicContact CE1-OE1 3.52Å; H126-E130 IonicContact ND1-OE1 3.91Å; H126-E130 WeakPolarHBondContact O-CG 3.32Å; H126-E130 PolarHBondContact O-N 2.97Å; T127-E130 PolarHBondContact O-N 3.31Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 3.27Å; E130-K133 WeakPolarHBondContact O-CB 3.46Å; E130-K133 PolarHBondContact O-N 3.12Å; E130-K133 WeakPolarHBondContact OE1-CE 3.18Å; E130-K133 IonicContact OE1-NZ 2.66Å; E130-K133 PolarHBondContact OE1-NZ 2.95Å; E130-K133 WeakPolarHBondContact OE2-CE 3.37Å; E130-K133 IonicContact OE2-NZ 2.69Å; E130-K133 PolarHBondContact OE2-NZ 3.38Å |
| 131 | L | 98.4 | Very high | 98.3 | Very high | 16 Ų | 16 | 81.3 Ų | 81.3 | 8% | 0.084 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.6 | -38.5 | 175.7 | -72.5 | 170.6 | 0 | 0 | 0 | 112.2 | P89 T127 K133 M134 K135 Q136 P138 | P89-L131 HydrophobicContact CG-CD2 4.46Å; T127-L131 HydrophobicContact CG2-CD1 3.97Å; T127-L131 PolarHBondContact O-N 3.23Å; L131-K133 PolarHBondContact O-N 3.38Å; L131-M134 CarbonylContact O-C 3.41Å; L131-M134 WeakPolarHBondContact O-CA 3.45Å; L131-M134 PolarHBondContact O-N 2.88Å; L131-K135 PolarHBondContact O-N 3.15Å; L131-Q136 CarbonylContact C-O 3.17Å; L131-Q136 HydrophobicContact CB-CB 4.09Å; L131-Q136 WeakPolarHBondContact CB-O 3.49Å; L131-Q136 HydrophobicContact CD2-CB 3.96Å; L131-Q136 PolarHBondContact O-N 3.07Å; L131-P138 HydrophobicContact CD1-CB 4.35Å; L131-P138 HydrophobicContact CD1-CG 3.79Å |
| 132 | A | 98.1 | Very high | 98.3 | Very high | 61 Ų | 61 | 84.8 Ų | 84.8 | 50% | 0.504 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.1 | -29.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R128 R129 E130 M134 K135 Q136 | R128-A132 VanDerWaalsContact O-CB 3.25Å; R128-A132 WeakPolarHBondContact O-CB 3.43Å; R128-A132 PolarHBondContact O-N 2.99Å; R129-A132 PolarHBondContact O-N 3.35Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 3.27Å; A132-M134 PolarHBondContact O-N 3.39Å; A132-K135 PolarHBondContact O-N 3.5Å; A132-Q136 PolarHBondContact N-O 3.13Å |
| 133 | K | 98.1 | Very high | 98.3 | Very high | 138 Ų | 138 | 87 Ų | 87 | 60% | 0.6 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.3 | -30.2 | 173 | -64.8 | 173 | -169.5 | 170.9 | 0 | 111.9 | R129 E130 L131 | R129-K133 WeakPolarHBondContact O-CG 3.18Å; R129-K133 PolarHBondContact O-N 3.36Å; E130-K133 WeakPolarHBondContact O-CB 3.46Å; E130-K133 PolarHBondContact O-N 3.12Å; E130-K133 WeakPolarHBondContact OE1-CE 3.18Å; E130-K133 IonicContact OE1-NZ 2.66Å; E130-K133 PolarHBondContact OE1-NZ 2.95Å; E130-K133 WeakPolarHBondContact OE2-CE 3.37Å; E130-K133 IonicContact OE2-NZ 2.69Å; E130-K133 PolarHBondContact OE2-NZ 3.38Å; L131-K133 PolarHBondContact O-N 3.38Å |
| 134 | M | 96.7 | Very high | 98.4 | Very high | 139 Ų | 139 | 81.4 Ų | 81.4 | 69% | 0.685 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 12.2 | 177.4 | -54.8 | -47.9 | -61.7 | 0 | 0 | 112.9 | L131 A132 Q136 | L131-M134 CarbonylContact O-C 3.41Å; L131-M134 WeakPolarHBondContact O-CA 3.45Å; L131-M134 PolarHBondContact O-N 2.88Å; A132-M134 PolarHBondContact O-N 3.39Å; M134-Q136 PolarHBondContact O-N 3.02Å |
| 135 | K | 97.5 | Very high | 98.4 | Very high | 203 Ų | 203 | 86 Ų | 86 | 88% | 0.883 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 30.2 | -175.6 | -53.3 | 178.7 | -179.4 | 177.3 | 0 | 113.5 | L131 A132 | L131-K135 PolarHBondContact O-N 3.15Å; A132-K135 PolarHBondContact O-N 3.5Å |
| 136 | Q | 98.2 | Very high | 98.4 | Very high | 60 Ų | 60 | 84 Ų | 84 | 28% | 0.28 | 39% | 0.39 | S | S | . | . | trans | -109.1 | 164.7 | 175.5 | -73.7 | -176.3 | -24.2 | 0 | 0 | 110.4 | P89 D90 L131 A132 M134 | P89-Q136 HydrophobicContact CG-CB 4.22Å; P89-Q136 HydrophobicContact CG-CG 4.46Å; D90-Q136 PolarHBondContact OD1-NE2 3.07Å; L131-Q136 CarbonylContact C-O 3.17Å; L131-Q136 HydrophobicContact CB-CB 4.09Å; L131-Q136 WeakPolarHBondContact CB-O 3.49Å; L131-Q136 HydrophobicContact CD2-CB 3.96Å; L131-Q136 PolarHBondContact O-N 3.07Å; A132-Q136 PolarHBondContact N-O 3.13Å; M134-Q136 PolarHBondContact O-N 3.02Å | ||
| 137 | E | 98.3 | Very high | 98.4 | Very high | 104 Ų | 104 | 79.9 Ų | 79.9 | 49% | 0.486 | 37% | 0.372 | S | S | . | . | trans | -136.3 | 158.4 | 170.9 | 61.5 | 179.6 | 160.3 | 0 | 0 | 109.8 | P89 K140 | P89-E137 WeakPolarHBondContact CG-O 3.49Å; E137-K140 VanDerWaalsContact CD-CE 3.46Å; E137-K140 WeakPolarHBondContact OE1-CE 3.44Å; E137-K140 IonicContact OE1-NZ 2.68Å; E137-K140 PolarHBondContact OE1-NZ 3.25Å; E137-K140 WeakPolarHBondContact OE2-CE 3.49Å; E137-K140 IonicContact OE2-NZ 3.66Å | ||
| 138 | P | 98.8 | Very high | 98.5 | Very high | 10 Ų | 10 | 79.3 Ų | 79.3 | 7% | 0.065 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 143.1 | 175.5 | -22.7 | 32.3 | 0 | 0 | 0 | 112 | I86 R122 T127 R128 L131 K140 | I86-P138 HydrophobicContact CG2-CB 4.08Å; I86-P138 CarbonylContact O-C 3.55Å; I86-P138 VanDerWaalsContact O-CA 3.25Å; I86-P138 WeakPolarHBondContact O-CA 3.2Å; R122-P138 HydrophobicContact CG-CB 4.33Å; T127-P138 HydrophobicContact CG2-CG 4.46Å; R128-P138 HydrophobicContact CG-CG 3.91Å; L131-P138 HydrophobicContact CD1-CB 4.35Å; L131-P138 HydrophobicContact CD1-CG 3.79Å; P138-K140 PolarHBondContact O-N 3.35Å |
| 139 | V | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 79.3 Ų | 79.3 | 1% | 0.012 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 127.7 | -177.7 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | F84 I86 P89 L92 R122 E143 | F84-V139 HydrophobicContact CD2-CG2 4.39Å; F84-V139 HydrophobicContact CE2-CB 3.99Å; F84-V139 HydrophobicContact CE2-CG1 3.7Å; F84-V139 HydrophobicContact CE2-CG2 4.11Å; F84-V139 HydrophobicContact CZ-CG1 4.16Å; I86-V139 PolarHBondContact O-N 3.43Å; P89-V139 HydrophobicContact CB-CG2 4.46Å; P89-V139 HydrophobicContact CG-CG2 4.42Å; L92-V139 HydrophobicContact CB-CG2 4.39Å; L92-V139 HydrophobicContact CD2-CG1 3.77Å; L92-V139 HydrophobicContact CD2-CG2 4.35Å; R122-V139 PolarHBondContact NE-O 3.19Å; R122-V139 PolarHBondContact NH2-O 3.3Å; R122-V139 VanDerWaalsContact NH2-O 3.09Å; V139-E143 HydrophobicContact CG1-CB 4Å |
| 140 | K | 98.7 | Very high | 98.5 | Very high | 73 Ų | 73 | 80.7 Ų | 80.7 | 32% | 0.317 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -81.3 | 152.5 | 177.2 | -58.1 | 175 | -172 | 153.2 | 0 | 111.4 | E137 P138 E142 E143 G144 | E137-K140 VanDerWaalsContact CD-CE 3.46Å; E137-K140 WeakPolarHBondContact OE1-CE 3.44Å; E137-K140 IonicContact OE1-NZ 2.68Å; E137-K140 PolarHBondContact OE1-NZ 3.25Å; E137-K140 WeakPolarHBondContact OE2-CE 3.49Å; E137-K140 IonicContact OE2-NZ 3.66Å; P138-K140 PolarHBondContact O-N 3.35Å; K140-E142 HydrophobicContact CB-CG 4.08Å; K140-E142 WeakPolarHBondContact CB-OE1 3.34Å; K140-E142 WeakPolarHBondContact CB-OE2 3.26Å; K140-E142 WeakPolarHBondContact CD-OE1 3.15Å; K140-E142 PolarHBondContact O-N 3.43Å; K140-E143 HydrophobicContact CB-CG 4.28Å; K140-E143 VanDerWaalsContact CB-OE2 3.32Å; K140-E143 WeakPolarHBondContact CB-OE2 3.48Å; K140-E143 WeakPolarHBondContact CG-OE2 3.13Å; K140-E143 PolarHBondContact N-OE2 2.95Å; K140-E143 PolarHBondContact O-N 2.86Å; K140-E143 VanDerWaalsContact O-N 3.1Å; K140-G144 PolarHBondContact O-N 3.05Å |
| 141 | P | 98.8 | Very high | 98.5 | Very high | 51 Ų | 51 | 77.1 Ų | 77.1 | 33% | 0.331 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.4 | -34 | -179.9 | -26.1 | 35.6 | 0 | 0 | 0 | 114.7 | R145 Y156 E158 | P141-R145 WeakPolarHBondContact O-CB 3.35Å; P141-R145 PolarHBondContact O-N 2.98Å; P141-R145 VanDerWaalsContact O-N 3.1Å; P141-Y156 WeakPolarHBondContact O-CE1 3.41Å; P141-E158 VanDerWaalsContact CA-OE1 3.3Å; P141-E158 WeakPolarHBondContact CA-OE1 3.49Å |
| 142 | E | 98.7 | Very high | 98.4 | Very high | 102 Ų | 102 | 79.4 Ų | 79.4 | 48% | 0.477 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 175.9 | 55.8 | -88.1 | -154.1 | 0 | 0 | 112.4 | K140 G144 R145 D146 | K140-E142 HydrophobicContact CB-CG 4.08Å; K140-E142 WeakPolarHBondContact CB-OE1 3.34Å; K140-E142 WeakPolarHBondContact CB-OE2 3.26Å; K140-E142 WeakPolarHBondContact CD-OE1 3.15Å; K140-E142 PolarHBondContact O-N 3.43Å; E142-G144 PolarHBondContact O-N 3.14Å; E142-R145 WeakPolarHBondContact O-CB 3.29Å; E142-R145 PolarHBondContact O-N 3.09Å; E142-D146 WeakPolarHBondContact O-CB 3.22Å; E142-D146 VanDerWaalsContact O-CG 3.26Å; E142-D146 PolarHBondContact O-N 3.38Å |
| 143 | E | 98.8 | Very high | 98.5 | Very high | 80 Ų | 80 | 77.5 Ų | 77.5 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.5 | -43 | -179.9 | -63.2 | 175.3 | 94.5 | 0 | 0 | 111.3 | L92 V139 K140 R145 D146 M147 | L92-E143 HydrophobicContact CD2-CB 4.13Å; V139-E143 HydrophobicContact CG1-CB 4Å; K140-E143 HydrophobicContact CB-CG 4.28Å; K140-E143 VanDerWaalsContact CB-OE2 3.32Å; K140-E143 WeakPolarHBondContact CB-OE2 3.48Å; K140-E143 WeakPolarHBondContact CG-OE2 3.13Å; K140-E143 PolarHBondContact N-OE2 2.95Å; K140-E143 PolarHBondContact O-N 2.86Å; K140-E143 VanDerWaalsContact O-N 3.1Å; E143-R145 VanDerWaalsContact C-N 3.34Å; E143-R145 PolarHBondContact O-N 3.38Å; E143-D146 PolarHBondContact O-N 2.56Å; E143-M147 WeakPolarHBondContact O-CB 2.98Å; E143-M147 PolarHBondContact O-N 2.8Å |
| 144 | G | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 75.4 Ų | 75.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L114 K140 E142 M147 A148 | L114-G144 WeakPolarHBondContact CD2-O 3.12Å; K140-G144 PolarHBondContact O-N 3.05Å; E142-G144 PolarHBondContact O-N 3.14Å; G144-M147 PolarHBondContact O-N 2.46Å; G144-A148 WeakPolarHBondContact O-CB 3.37Å; G144-A148 PolarHBondContact O-N 3.43Å |
| 145 | R | 98.8 | Very high | 98.5 | Very high | 155 Ų | 155 | 69.5 Ų | 69.5 | 59% | 0.585 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -67.3 | -43.4 | 175.9 | -171.2 | 178.1 | -59.5 | -140.1 | -2.2 | 112.1 | P141 E142 E143 M147 A148 N149 Y156 | P141-R145 WeakPolarHBondContact O-CB 3.35Å; P141-R145 PolarHBondContact O-N 2.98Å; P141-R145 VanDerWaalsContact O-N 3.1Å; E142-R145 WeakPolarHBondContact O-CB 3.29Å; E142-R145 PolarHBondContact O-N 3.09Å; E143-R145 VanDerWaalsContact C-N 3.34Å; E143-R145 PolarHBondContact O-N 3.38Å; R145-M147 VanDerWaalsContact C-N 3.29Å; R145-M147 PolarHBondContact O-N 2.88Å; R145-A148 PolarHBondContact O-N 2.64Å; R145-N149 PolarHBondContact O-N 2.96Å; R145-N149 PolarHBondContact O-ND2 3.27Å; R145-Y156 HydrophobicContact CB-CD1 4.08Å |
| 146 | D | 98.9 | Very high | 98.6 | Very high | 101 Ų | 101 | 61.4 Ų | 61.4 | 54% | 0.54 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 176.6 | -72.4 | -14.8 | 0 | 0 | 0 | 110.8 | E142 E143 N149 R150 | E142-D146 WeakPolarHBondContact O-CB 3.22Å; E142-D146 VanDerWaalsContact O-CG 3.26Å; E142-D146 PolarHBondContact O-N 3.38Å; E143-D146 PolarHBondContact O-N 2.56Å; D146-N149 PolarHBondContact O-N 3.47Å; D146-R150 WeakPolarHBondContact O-CB 3.17Å; D146-R150 PolarHBondContact O-N 2.6Å |
| 147 | M | 98.8 | Very high | 98.6 | Very high | 19 Ų | 19 | 60.6 Ų | 60.6 | 9% | 0.094 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 173.8 | -171 | 58.1 | 76.1 | 0 | 0 | 112.3 | L92 I95 P96 L114 E143 G144 R145 N149 R150 I151 | L92-M147 HydrophobicContact CD1-CB 3.79Å; L92-M147 HydrophobicContact CD1-CE 4.41Å; L92-M147 HydrophobicContact CD1-CG 3.75Å; L92-M147 HydrophobicContact CG-CB 4.47Å; L92-M147 HydrophobicContact CG-CE 4.07Å; L92-M147 HydrophobicContact CG-CG 4.41Å; I95-M147 HydrophobicContact CB-CG 4.22Å; I95-M147 HydrophobicContact CG2-CG 3.89Å; I95-M147 HydrophobicContact CG2-SD 4.34Å; P96-M147 HydrophobicContact CB-SD 4.26Å; P96-M147 VanDerWaalsContact CD-SD 3.5Å; P96-M147 HydrophobicContact CG-CE 3.82Å; P96-M147 HydrophobicContact CG-SD 3.76Å; L114-M147 HydrophobicContact CD2-CB 3.86Å; L114-M147 HydrophobicContact CD2-CG 3.9Å; E143-M147 WeakPolarHBondContact O-CB 2.98Å; E143-M147 PolarHBondContact O-N 2.8Å; G144-M147 PolarHBondContact O-N 2.46Å; R145-M147 VanDerWaalsContact C-N 3.29Å; R145-M147 PolarHBondContact O-N 2.88Å; M147-N149 VanDerWaalsContact C-N 3.29Å; M147-N149 PolarHBondContact O-N 3.01Å; M147-R150 WeakPolarHBondContact O-CB 3.37Å; M147-R150 PolarHBondContact O-N 3.41Å; M147-R150 VanDerWaalsContact O-N 3.13Å; M147-R150 HydrophobicContact SD-CB 4.42Å; M147-I151 WeakPolarHBondContact O-CG1 3.29Å; M147-I151 PolarHBondContact O-N 2.75Å; M147-I151 HydrophobicContact SD-CG2 4.13Å |
| 148 | A | 98.9 | Very high | 98.7 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L114 G144 R145 G152 A153 Y156 | L114-A148 HydrophobicContact CB-CB 4.15Å; L114-A148 HydrophobicContact CD2-CB 3.89Å; G144-A148 WeakPolarHBondContact O-CB 3.37Å; G144-A148 PolarHBondContact O-N 3.43Å; R145-A148 PolarHBondContact O-N 2.64Å; A148-G152 PolarHBondContact O-N 3.15Å; A148-G152 VanDerWaalsContact O-N 3.15Å; A148-A153 HydrophobicContact CB-CB 4.06Å; A148-A153 PolarHBondContact O-N 3.3Å; A148-Y156 HydrophobicContact CB-CG 4.4Å |
| 149 | N | 98.7 | Very high | 98.7 | Very high | 117 Ų | 117 | 56.3 Ų | 56.3 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.4 | -46.4 | 173.5 | -68.7 | -30.3 | 0 | 0 | 0 | 111.4 | R145 D146 M147 I151 G152 | R145-N149 PolarHBondContact O-N 2.96Å; R145-N149 PolarHBondContact O-ND2 3.27Å; D146-N149 PolarHBondContact O-N 3.47Å; M147-N149 VanDerWaalsContact C-N 3.29Å; M147-N149 PolarHBondContact O-N 3.01Å; N149-I151 VanDerWaalsContact C-N 3.32Å; N149-I151 PolarHBondContact O-N 2.77Å; N149-G152 PolarHBondContact O-N 3.02Å |
| 150 | R | 98.6 | Very high | 98.7 | Very high | 179 Ų | 179 | 56.2 Ų | 56.2 | 68% | 0.675 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -58 | -41.2 | -179.5 | 179.7 | 178.8 | 177.1 | -174.1 | -2.8 | 112.6 | D146 M147 | D146-R150 WeakPolarHBondContact O-CB 3.17Å; D146-R150 PolarHBondContact O-N 2.6Å; M147-R150 WeakPolarHBondContact O-CB 3.37Å; M147-R150 PolarHBondContact O-N 3.41Å; M147-R150 VanDerWaalsContact O-N 3.13Å; M147-R150 HydrophobicContact SD-CB 4.42Å |
| 151 | I | 98.4 | Very high | 98.7 | Very high | 6 Ų | 6 | 53.3 Ų | 53.3 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -86.6 | -10.8 | -178.3 | 71.1 | 175.3 | 0 | 0 | 0 | 113.3 | M82 I95 P96 T100 K104 I112 L114 M147 N149 A153 | M82-I151 HydrophobicContact SD-CD1 3.92Å; I95-I151 HydrophobicContact CG2-CD1 3.81Å; I95-I151 HydrophobicContact CG2-CG2 4.07Å; P96-I151 HydrophobicContact CB-CG2 4.33Å; T100-I151 HydrophobicContact CG2-CB 3.99Å; T100-I151 HydrophobicContact CG2-CG2 4.14Å; T100-I151 WeakPolarHBondContact OG1-CG2 3.42Å; K104-I151 WeakPolarHBondContact CE-O 3.22Å; K104-I151 PolarHBondContact NZ-O 2.9Å; I112-I151 HydrophobicContact CG2-CD1 4.34Å; L114-I151 HydrophobicContact CD1-CD1 4.34Å; M147-I151 WeakPolarHBondContact O-CG1 3.29Å; M147-I151 PolarHBondContact O-N 2.75Å; M147-I151 HydrophobicContact SD-CG2 4.13Å; N149-I151 VanDerWaalsContact C-N 3.32Å; N149-I151 PolarHBondContact O-N 2.77Å; I151-A153 HydrophobicContact CD1-CB 4.16Å; I151-A153 HydrophobicContact CG1-CB 3.96Å |
| 152 | G | 97.7 | Very high | 98.6 | Very high | 63 Ų | 63 | 57.4 Ų | 57.4 | 65% | 0.649 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.5 | 37.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A148 N149 | A148-G152 PolarHBondContact O-N 3.15Å; A148-G152 VanDerWaalsContact O-N 3.15Å; N149-G152 PolarHBondContact O-N 3.02Å |
| 153 | A | 98.7 | Very high | 98.6 | Very high | 21 Ų | 21 | 56.5 Ų | 56.5 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | trans | -65.9 | 150.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | I112 L114 A148 I151 G155 | I112-A153 HydrophobicContact CG2-CB 4.43Å; I112-A153 CarbonylContact O-C 3.46Å; I112-A153 WeakPolarHBondContact O-CA 3.29Å; I112-A153 WeakPolarHBondContact O-CB 3.3Å; L114-A153 HydrophobicContact CB-CB 4.35Å; A148-A153 HydrophobicContact CB-CB 4.06Å; A148-A153 PolarHBondContact O-N 3.3Å; I151-A153 HydrophobicContact CD1-CB 4.16Å; I151-A153 HydrophobicContact CG1-CB 3.96Å; A153-G155 PolarHBondContact O-N 3.42Å | ||
| 154 | F | 98.1 | Very high | 98.6 | Very high | 94 Ų | 94 | 57.1 Ų | 57.1 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -66.1 | -30.6 | 173 | 178.4 | -82 | 0 | 0 | 0 | 111.6 | P111 I112 I113 M173 A177 | P111-F154 HydrophobicContact CB-CB 4.1Å; P111-F154 HydrophobicContact CB-CD2 4.44Å; P111-F154 HydrophobicContact CB-CG 4.46Å; I112-F154 PolarHBondContact O-N 3.15Å; I113-F154 HydrophobicContact CD1-CB 3.92Å; I113-F154 HydrophobicContact CD1-CD1 3.6Å; I113-F154 HydrophobicContact CD1-CG 4.14Å; F154-M173 HydrophobicContact CD1-CG 4.46Å; F154-M173 HydrophobicContact CE1-CG 4.44Å; F154-A177 HydrophobicContact CD1-CB 3.62Å; F154-A177 HydrophobicContact CD2-CB 4.03Å; F154-A177 HydrophobicContact CE1-CB 3.7Å; F154-A177 HydrophobicContact CE2-CB 4.1Å; F154-A177 HydrophobicContact CG-CB 3.8Å; F154-A177 HydrophobicContact CZ-CB 3.95Å |
| 155 | G | 98.3 | Very high | 98.5 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 16% | 0.155 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.6 | 168.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L114 A153 | L114-G155 PolarHBondContact N-O 2.96Å; A153-G155 PolarHBondContact O-N 3.42Å |
| 156 | Y | 98.9 | Very high | 98.5 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 13% | 0.133 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.6 | 174.5 | 175.2 | -124.7 | 0 | 0 | 0 | 109.8 | F84 L114 P141 R145 A148 E158 | F84-Y156 AromaticContact CE1-CE2 3.77Å; F84-Y156 HydrophobicContact CE1-CE2 3.77Å; F84-Y156 AromaticContact CZ-CE2 3.9Å; F84-Y156 HydrophobicContact CZ-CE2 3.9Å; L114-Y156 HydrophobicContact CB-CD2 4.19Å; L114-Y156 HydrophobicContact CD2-CD2 4.12Å; L114-Y156 HydrophobicContact CG-CD2 4.11Å; L114-Y156 WeakPolarHBondContact O-CA 3.24Å; L114-Y156 WeakPolarHBondContact O-CD2 3.08Å; P141-Y156 WeakPolarHBondContact O-CE1 3.41Å; R145-Y156 HydrophobicContact CB-CD1 4.08Å; A148-Y156 HydrophobicContact CB-CG 4.4Å; Y156-E158 HydrophobicContact CE1-CG 3.91Å; Y156-E158 HydrophobicContact CE2-CG 4.18Å; Y156-E158 VanDerWaalsContact CZ-CG 3.46Å; Y156-E158 VanDerWaalsContact OH-CD 3.25Å; Y156-E158 WeakPolarHBondContact OH-CG 3.43Å; Y156-E158 PolarHBondContact OH-OE1 3.49Å |
| 157 | M | 98.9 | Very high | 98.5 | Very high | 43 Ų | 43 | 49 Ų | 49 | 21% | 0.212 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 153.7 | 175.2 | -68 | -63.6 | -73.9 | 0 | 0 | 110.7 | L114 V115 G116 E169 V170 M173 | L114-M157 PolarHBondContact O-N 2.89Å; V115-M157 CarbonylContact C-O 3.43Å; V115-M157 VanDerWaalsContact CA-O 3.3Å; V115-M157 WeakPolarHBondContact CA-O 3.32Å; G116-M157 PolarHBondContact N-O 2.94Å; M157-E169 HydrophobicContact CE-CB 3.47Å; M157-E169 VanDerWaalsContact CE-CB 3.47Å; M157-V170 HydrophobicContact CB-CG2 3.72Å; M157-M173 HydrophobicContact CG-CE 3.52Å; M157-M173 HydrophobicContact CG-SD 3.56Å; M157-M173 VanDerWaalsContact CG-SD 3.56Å; M157-M173 HydrophobicContact SD-CE 3.36Å; M157-M173 WeakPolarHBondContact SD-CE 3.46Å; M157-M173 HydrophobicContact SD-SD 4.26Å |
| 158 | E | 98.9 | Very high | 98.5 | Very high | 23 Ų | 23 | 54.9 Ų | 54.9 | 11% | 0.107 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 142.3 | 172.3 | -63 | -178.6 | 173.1 | 0 | 0 | 109.9 | I86 G116 K119 R122 P141 Y156 | I86-E158 HydrophobicContact CD1-CB 4.34Å; I86-E158 HydrophobicContact CD1-CG 4.23Å; G116-E158 VanDerWaalsContact O-CA 3.29Å; G116-E158 WeakPolarHBondContact O-CA 3.4Å; K119-E158 HydrophobicContact CB-CB 4.49Å; K119-E158 HydrophobicContact CD-CB 3.87Å; K119-E158 HydrophobicContact CG-CB 4.28Å; R122-E158 IonicContact CZ-OE1 2.75Å; R122-E158 IonicContact CZ-OE2 2.89Å; R122-E158 VanDerWaalsContact CZ-OE2 3.23Å; R122-E158 IonicContact NH1-OE1 2.86Å; R122-E158 IonicContact NH1-OE2 3.23Å; R122-E158 PolarHBondContact NH1-OE2 2.92Å; R122-E158 IonicContact NH2-OE1 2.72Å; R122-E158 PolarHBondContact NH2-OE1 3.36Å; R122-E158 IonicContact NH2-OE2 3.92Å; R122-E158 PolarHBondContact NH2-OE2 3.42Å; P141-E158 VanDerWaalsContact CA-OE1 3.3Å; P141-E158 WeakPolarHBondContact CA-OE1 3.49Å; Y156-E158 HydrophobicContact CE1-CG 3.91Å; Y156-E158 HydrophobicContact CE2-CG 4.18Å; Y156-E158 VanDerWaalsContact CZ-CG 3.46Å; Y156-E158 VanDerWaalsContact OH-CD 3.25Å; Y156-E158 WeakPolarHBondContact OH-CG 3.43Å; Y156-E158 PolarHBondContact OH-OE1 3.49Å |
| 159 | C | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.297 | C | S | . | . | trans | -148 | 165.2 | 178.8 | 68.9 | 0 | 0 | 0 | 0 | 112.4 | G116 N117 K118 K119 D165 V167 V170 | G116-C159 PolarHBondContact O-N 3.49Å; N117-C159 CarbonylContact C-O 3.46Å; N117-C159 PolarHBondContact OD1-SG 3.45Å; N117-C159 VanDerWaalsContact OD1-SG 3.41Å; K118-C159 PolarHBondContact N-O 2.76Å; K118-C159 VanDerWaalsContact N-O 3.09Å; K119-C159 VanDerWaalsContact CB-O 3.29Å; K119-C159 WeakPolarHBondContact CB-O 3.38Å; K119-C159 PolarHBondContact N-O 2.76Å; C159-D165 CarbonylContact C-O 3.55Å; C159-D165 WeakPolarHBondContact CA-O 3.48Å; C159-D165 VanDerWaalsContact CB-O 3.24Å; C159-D165 WeakPolarHBondContact CB-O 3.36Å; C159-V167 HydrophobicContact CB-CG2 4.38Å; C159-V170 HydrophobicContact CB-CG2 4.05Å | ||
| 160 | S | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | trans | -126.2 | 114.2 | 165.6 | 175.3 | 0 | 0 | 0 | 0 | 109 | D120 K162 T163 K164 D165 | D120-S160 VanDerWaalsContact CG-OG 3.23Å; D120-S160 VanDerWaalsContact OD1-CB 3.22Å; D120-S160 WeakPolarHBondContact OD1-CB 3.35Å; D120-S160 PolarHBondContact OD1-OG 3.1Å; S160-K162 PolarHBondContact O-N 3.2Å; S160-K162 PolarHBondContact OG-N 3.48Å; S160-T163 VanDerWaalsContact CB-OG1 3.26Å; S160-T163 WeakPolarHBondContact CB-OG1 3.2Å; S160-T163 PolarHBondContact O-N 3.28Å; S160-T163 PolarHBondContact OG-N 3.48Å; S160-T163 VanDerWaalsContact OG-N 3.15Å; S160-T163 PolarHBondContact OG-OG1 3.11Å; S160-K164 CarbonylContact O-C 3.47Å; S160-K164 WeakPolarHBondContact O-CA 3.32Å; S160-K164 PolarHBondContact O-N 2.72Å; S160-D165 PolarHBondContact N-O 2.92Å; S160-D165 PolarHBondContact O-N 2.89Å | ||
| 161 | A | 98.6 | Very high | 98.5 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 10% | 0.099 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -33.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | C20 V24 F30 | C20-A161 HydrophobicContact CB-CB 3.89Å; V24-A161 HydrophobicContact CB-CB 4.37Å; V24-A161 HydrophobicContact CG2-CB 3.98Å; V24-A161 WeakPolarHBondContact CG2-O 3.42Å; F30-A161 HydrophobicContact CD2-CB 4.04Å; F30-A161 HydrophobicContact CE2-CB 4.01Å |
| 162 | K | 97.8 | Very high | 98.5 | Very high | 136 Ų | 136 | 47 Ų | 47 | 59% | 0.591 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -42.4 | -177.9 | -172.8 | -179.5 | -179.2 | -177.8 | 0 | 112.5 | F30 D120 S160 | F30-K162 HydrophobicContact CD2-CB 4.28Å; F30-K162 HydrophobicContact CE2-CB 3.95Å; F30-K162 HydrophobicContact CZ-CB 4.17Å; F30-K162 HydrophobicContact CZ-CG 4.46Å; D120-K162 WeakPolarHBondContact OD2-CD 3.25Å; S160-K162 PolarHBondContact O-N 3.2Å; S160-K162 PolarHBondContact OG-N 3.48Å |
| 163 | T | 98 | Very high | 98.6 | Very high | 83 Ų | 83 | 46 Ų | 46 | 51% | 0.509 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -3.3 | 180 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | D120 S160 D165 | D120-T163 HydrophobicContact CB-CG2 3.99Å; S160-T163 VanDerWaalsContact CB-OG1 3.26Å; S160-T163 WeakPolarHBondContact CB-OG1 3.2Å; S160-T163 PolarHBondContact O-N 3.28Å; S160-T163 PolarHBondContact OG-N 3.48Å; S160-T163 VanDerWaalsContact OG-N 3.15Å; S160-T163 PolarHBondContact OG-OG1 3.11Å; T163-D165 PolarHBondContact O-N 3.09Å; T163-D165 WeakPolarHBondContact OG1-CB 3.42Å; T163-D165 PolarHBondContact OG1-N 3.05Å |
| 164 | K | 98.2 | Very high | 98.6 | Very high | 94 Ų | 94 | 45 Ų | 45 | 41% | 0.409 | 22% | 0.216 | S | C | . | . | trans | 64.2 | 3.1 | -171.4 | -51 | -176.6 | 176.9 | -175.4 | 0 | 114.8 | V24 D28 S160 G166 V167 | V24-K164 HydrophobicContact CG1-CG 3.93Å; D28-K164 PolarHBondContact O-NZ 2.97Å; D28-K164 WeakPolarHBondContact OD1-CE 3.39Å; D28-K164 IonicContact OD1-NZ 2.93Å; D28-K164 PolarHBondContact OD1-NZ 2.92Å; D28-K164 IonicContact OD2-NZ 3.71Å; D28-K164 PolarHBondContact OD2-NZ 2.72Å; S160-K164 CarbonylContact O-C 3.47Å; S160-K164 WeakPolarHBondContact O-CA 3.32Å; S160-K164 PolarHBondContact O-N 2.72Å; K164-G166 PolarHBondContact O-N 3.27Å; K164-V167 PolarHBondContact O-N 3.24Å | ||
| 165 | D | 98.7 | Very high | 98.6 | Very high | 72 Ų | 72 | 40.5 Ų | 40.5 | 39% | 0.385 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 126.3 | 177.9 | 179.8 | 38 | 0 | 0 | 0 | 111.1 | K119 C159 S160 T163 V167 | K119-D165 WeakPolarHBondContact CD-OD2 3.42Å; K119-D165 WeakPolarHBondContact CE-OD2 3.47Å; K119-D165 IonicContact NZ-OD1 3.7Å; K119-D165 IonicContact NZ-OD2 2.72Å; K119-D165 PolarHBondContact NZ-OD2 3.33Å; C159-D165 CarbonylContact C-O 3.55Å; C159-D165 WeakPolarHBondContact CA-O 3.48Å; C159-D165 VanDerWaalsContact CB-O 3.24Å; C159-D165 WeakPolarHBondContact CB-O 3.36Å; S160-D165 PolarHBondContact N-O 2.92Å; S160-D165 PolarHBondContact O-N 2.89Å; T163-D165 PolarHBondContact O-N 3.09Å; T163-D165 WeakPolarHBondContact OG1-CB 3.42Å; T163-D165 PolarHBondContact OG1-N 3.05Å; D165-V167 PolarHBondContact O-N 3.1Å; D165-V167 VanDerWaalsContact O-N 3.15Å |
| 166 | G | 98.7 | Very high | 98.6 | Very high | 7 Ų | 7 | 43.4 Ų | 43.4 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | -3.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116 | K164 E169 V170 | K164-G166 PolarHBondContact O-N 3.27Å; G166-E169 WeakPolarHBondContact CA-OE2 3.38Å; G166-E169 PolarHBondContact O-N 2.7Å; G166-V170 WeakPolarHBondContact O-CG2 3.33Å; G166-V170 PolarHBondContact O-N 2.79Å; G166-V170 VanDerWaalsContact O-N 3.17Å |
| 167 | V | 98.8 | Very high | 98.5 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -62.3 | -50.8 | -174.3 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | L21 V24 F25 C159 K164 D165 E169 V170 F171 | L21-V167 HydrophobicContact CD1-CB 4.32Å; L21-V167 HydrophobicContact CD1-CG1 3.91Å; L21-V167 HydrophobicContact CD1-CG2 3.99Å; V24-V167 HydrophobicContact CG1-CG1 4.25Å; V24-V167 HydrophobicContact CG1-CG2 4.27Å; F25-V167 HydrophobicContact CB-CG1 3.9Å; C159-V167 HydrophobicContact CB-CG2 4.38Å; K164-V167 PolarHBondContact O-N 3.24Å; D165-V167 PolarHBondContact O-N 3.1Å; D165-V167 VanDerWaalsContact O-N 3.15Å; V167-E169 VanDerWaalsContact C-N 3.32Å; V167-E169 PolarHBondContact O-N 3.22Å; V167-V170 WeakPolarHBondContact O-CB 3.5Å; V167-V170 PolarHBondContact O-N 2.83Å; V167-F171 HydrophobicContact CG1-CD2 4.4Å; V167-F171 HydrophobicContact CG1-CE2 4.17Å; V167-F171 WeakPolarHBondContact O-CD2 3.43Å |
| 168 | R | 98.1 | Very high | 98.5 | Very high | 142 Ų | 142 | 39.8 Ų | 39.8 | 54% | 0.536 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.8 | -42.3 | -177.5 | -176.3 | 177 | 176.9 | 118.1 | 2.1 | 111.2 | V170 F171 E172 | R168-V170 VanDerWaalsContact C-N 3.29Å; R168-V170 PolarHBondContact O-N 2.78Å; R168-F171 PolarHBondContact O-N 3.09Å; R168-F171 VanDerWaalsContact O-N 3.08Å; R168-E172 HydrophobicContact CG-CG 4.23Å; R168-E172 IonicContact CZ-OE1 3.32Å; R168-E172 IonicContact NE-OE1 3.24Å; R168-E172 PolarHBondContact NE-OE1 3.38Å; R168-E172 IonicContact NH2-OE1 2.88Å; R168-E172 WeakPolarHBondContact O-CG 3.43Å; R168-E172 PolarHBondContact O-N 3.35Å |
| 169 | E | 98.7 | Very high | 98.4 | Very high | 90 Ų | 90 | 40.6 Ų | 40.6 | 42% | 0.421 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -63.3 | -34.1 | -177.7 | -62.9 | 84.8 | 164.5 | 0 | 0 | 112.2 | M157 G166 V167 E172 M173 | M157-E169 HydrophobicContact CE-CB 3.47Å; M157-E169 VanDerWaalsContact CE-CB 3.47Å; G166-E169 WeakPolarHBondContact CA-OE2 3.38Å; G166-E169 PolarHBondContact O-N 2.7Å; V167-E169 VanDerWaalsContact C-N 3.32Å; V167-E169 PolarHBondContact O-N 3.22Å; E169-E172 PolarHBondContact O-N 3Å; E169-M173 WeakPolarHBondContact O-CB 3.5Å; E169-M173 PolarHBondContact O-N 2.69Å |
| 170 | V | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.8 | -49.1 | 171.3 | 168.3 | 0 | 0 | 0 | 0 | 110.8 | L21 L81 V115 M157 C159 G166 V167 R168 M173 A174 | L21-V170 HydrophobicContact CD2-CG1 4.38Å; L81-V170 HydrophobicContact CD1-CG1 3.9Å; L81-V170 HydrophobicContact CD2-CG1 3.94Å; V115-V170 HydrophobicContact CG1-CG1 4.35Å; V115-V170 HydrophobicContact CG1-CG2 4.01Å; V115-V170 HydrophobicContact CG2-CG1 3.81Å; V115-V170 HydrophobicContact CG2-CG2 4.49Å; M157-V170 HydrophobicContact CB-CG2 3.72Å; C159-V170 HydrophobicContact CB-CG2 4.05Å; G166-V170 WeakPolarHBondContact O-CG2 3.33Å; G166-V170 PolarHBondContact O-N 2.79Å; G166-V170 VanDerWaalsContact O-N 3.17Å; V167-V170 WeakPolarHBondContact O-CB 3.5Å; V167-V170 PolarHBondContact O-N 2.83Å; R168-V170 VanDerWaalsContact C-N 3.29Å; R168-V170 PolarHBondContact O-N 2.78Å; V170-M173 PolarHBondContact O-N 2.66Å; V170-A174 WeakPolarHBondContact O-CB 3.42Å; V170-A174 PolarHBondContact O-N 3.39Å |
| 171 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -74.2 | -30.7 | -178.7 | -68.4 | -84.7 | 0 | 0 | 0 | 112.8 | L8 L21 L22 F25 I46 L55 L57 L81 V167 R168 T175 | L8-F171 HydrophobicContact CD1-CD1 3.94Å; L8-F171 HydrophobicContact CD1-CE1 4.07Å; L21-F171 HydrophobicContact CD1-CE2 3.85Å; L21-F171 HydrophobicContact CD1-CZ 4.44Å; L21-F171 HydrophobicContact CG-CE2 3.95Å; L21-F171 HydrophobicContact CG-CZ 4.02Å; L22-F171 HydrophobicContact CD2-CE1 3.94Å; L22-F171 HydrophobicContact CD2-CZ 3.89Å; F25-F171 HydrophobicContact CB-CD2 3.7Å; F25-F171 HydrophobicContact CB-CE1 4.49Å; F25-F171 HydrophobicContact CB-CE2 3.28Å; F25-F171 HydrophobicContact CB-CG 4.49Å; F25-F171 HydrophobicContact CB-CZ 3.73Å; F25-F171 HydrophobicContact CD1-CB 4.48Å; F25-F171 AromaticContact CD1-CD1 3.6Å; F25-F171 HydrophobicContact CD1-CD1 3.6Å; F25-F171 AromaticContact CD1-CD2 3.73Å; F25-F171 HydrophobicContact CD1-CD2 3.73Å; F25-F171 AromaticContact CD1-CE1 3.62Å; F25-F171 HydrophobicContact CD1-CE1 3.62Å; F25-F171 AromaticContact CD1-CE2 3.8Å; F25-F171 HydrophobicContact CD1-CE2 3.8Å; F25-F171 AromaticContact CD1-CG 3.65Å; F25-F171 HydrophobicContact CD1-CG 3.65Å; F25-F171 AromaticContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD2-CB 4.07Å; F25-F171 AromaticContact CD2-CD2 3.38Å; F25-F171 HydrophobicContact CD2-CD2 3.38Å; F25-F171 AromaticContact CD2-CE2 3.95Å; F25-F171 HydrophobicContact CD2-CE2 3.95Å; F25-F171 AromaticContact CD2-CG 3.74Å; F25-F171 HydrophobicContact CD2-CG 3.74Å; F25-F171 HydrophobicContact CE1-CB 4.08Å; F25-F171 AromaticContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD2 4.19Å; F25-F171 HydrophobicContact CE1-CE1 4.05Å; F25-F171 AromaticContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE2-CB 3.65Å; F25-F171 AromaticContact CE2-CD2 3.89Å; F25-F171 HydrophobicContact CE2-CD2 3.89Å; F25-F171 AromaticContact CE2-CG 3.77Å; F25-F171 HydrophobicContact CE2-CG 3.77Å; F25-F171 HydrophobicContact CG-CB 4.47Å; F25-F171 HydrophobicContact CG-CD1 4.08Å; F25-F171 AromaticContact CG-CD2 3.3Å; F25-F171 HydrophobicContact CG-CD2 3.3Å; F25-F171 HydrophobicContact CG-CE1 4.13Å; F25-F171 AromaticContact CG-CE2 3.4Å; F25-F171 HydrophobicContact CG-CE2 3.4Å; F25-F171 AromaticContact CG-CG 3.68Å; F25-F171 HydrophobicContact CG-CG 3.68Å; F25-F171 AromaticContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CZ-CB 3.66Å; F25-F171 HydrophobicContact CZ-CD1 4.09Å; F25-F171 HydrophobicContact CZ-CD2 4.27Å; F25-F171 AromaticContact CZ-CG 3.74Å; F25-F171 HydrophobicContact CZ-CG 3.74Å; I46-F171 HydrophobicContact CD1-CB 4Å; L55-F171 HydrophobicContact CD1-CB 4.5Å; L55-F171 HydrophobicContact CD1-CD1 4.19Å; L57-F171 HydrophobicContact CD2-CD1 4.31Å; L57-F171 HydrophobicContact CD2-CE1 3.97Å; L81-F171 HydrophobicContact CD1-CE1 3.98Å; L81-F171 HydrophobicContact CD1-CZ 4.2Å; V167-F171 HydrophobicContact CG1-CD2 4.4Å; V167-F171 HydrophobicContact CG1-CE2 4.17Å; V167-F171 WeakPolarHBondContact O-CD2 3.43Å; R168-F171 PolarHBondContact O-N 3.09Å; R168-F171 VanDerWaalsContact O-N 3.08Å; F171-T175 WeakPolarHBondContact O-CB 3.37Å; F171-T175 PolarHBondContact O-N 2.94Å; F171-T175 PolarHBondContact O-OG1 3.41Å |
| 172 | E | 98.6 | Very high | 95.9 | Very high | 50 Ų | 50 | 58.7 Ų | 58.7 | 23% | 0.234 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 171 | -70.7 | -179 | 177.2 | 0 | 0 | 111.2 | I46 V48 R168 E169 T175 R176 | I46-E172 HydrophobicContact CD1-CG 3.8Å; V48-E172 HydrophobicContact CG2-CB 4.34Å; V48-E172 HydrophobicContact CG2-CG 4.17Å; R168-E172 HydrophobicContact CG-CG 4.23Å; R168-E172 IonicContact CZ-OE1 3.32Å; R168-E172 IonicContact NE-OE1 3.24Å; R168-E172 PolarHBondContact NE-OE1 3.38Å; R168-E172 IonicContact NH2-OE1 2.88Å; R168-E172 WeakPolarHBondContact O-CG 3.43Å; R168-E172 PolarHBondContact O-N 3.35Å; E169-E172 PolarHBondContact O-N 3Å; E172-T175 PolarHBondContact O-N 2.78Å; E172-R176 VanDerWaalsContact O-CB 3.29Å; E172-R176 WeakPolarHBondContact O-CB 3.49Å; E172-R176 PolarHBondContact O-N 3.46Å |
| 173 | M | 98.7 | Very high | 94.1 | Very high | 41 Ų | 41 | 61 Ų | 61 | 20% | 0.202 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -46.2 | 175.5 | -176 | 178.7 | -72 | 0 | 0 | 111.8 | I113 F154 M157 E169 V170 T175 R176 A177 | I113-M173 HydrophobicContact CD1-CG 3.84Å; I113-M173 HydrophobicContact CD1-SD 4.1Å; I113-M173 HydrophobicContact CG1-CG 4.47Å; I113-M173 HydrophobicContact CG2-CG 4.49Å; I113-M173 HydrophobicContact CG2-SD 3.92Å; F154-M173 HydrophobicContact CD1-CG 4.46Å; F154-M173 HydrophobicContact CE1-CG 4.44Å; M157-M173 HydrophobicContact CG-CE 3.52Å; M157-M173 HydrophobicContact CG-SD 3.56Å; M157-M173 VanDerWaalsContact CG-SD 3.56Å; M157-M173 HydrophobicContact SD-CE 3.36Å; M157-M173 WeakPolarHBondContact SD-CE 3.46Å; M157-M173 HydrophobicContact SD-SD 4.26Å; E169-M173 WeakPolarHBondContact O-CB 3.5Å; E169-M173 PolarHBondContact O-N 2.69Å; V170-M173 PolarHBondContact O-N 2.66Å; M173-T175 PolarHBondContact O-N 2.83Å; M173-R176 PolarHBondContact O-N 3.36Å; M173-A177 WeakPolarHBondContact O-CB 3.25Å; M173-A177 PolarHBondContact O-N 3.42Å |
| 174 | A | 98.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L8 V79 L81 I113 V170 A177 A178 | L8-A174 HydrophobicContact CD1-CB 3.91Å; V79-A174 HydrophobicContact CG1-CB 4.24Å; V79-A174 HydrophobicContact CG2-CB 4.04Å; L81-A174 HydrophobicContact CD2-CB 3.78Å; I113-A174 HydrophobicContact CG1-CB 4.04Å; V170-A174 WeakPolarHBondContact O-CB 3.42Å; V170-A174 PolarHBondContact O-N 3.39Å; A174-A177 PolarHBondContact O-N 3.44Å; A174-A178 WeakPolarHBondContact O-CB 3.2Å; A174-A178 PolarHBondContact O-N 2.94Å |
| 175 | T | 98.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 176.7 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | I46 V48 V53 F171 E172 M173 A177 A178 L179 | I46-T175 HydrophobicContact CG2-CG2 4.14Å; V48-T175 HydrophobicContact CB-CG2 3.97Å; V48-T175 HydrophobicContact CG2-CG2 3.7Å; V53-T175 HydrophobicContact CB-CG2 3.99Å; V53-T175 HydrophobicContact CG1-CG2 4.06Å; V53-T175 HydrophobicContact CG2-CG2 3.81Å; F171-T175 WeakPolarHBondContact O-CB 3.37Å; F171-T175 PolarHBondContact O-N 2.94Å; F171-T175 PolarHBondContact O-OG1 3.41Å; E172-T175 PolarHBondContact O-N 2.78Å; M173-T175 PolarHBondContact O-N 2.83Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 3.2Å; T175-A178 WeakPolarHBondContact O-CB 3.26Å; T175-A178 PolarHBondContact O-N 3.21Å; T175-L179 HydrophobicContact CG2-CD1 3.95Å; T175-L179 HydrophobicContact CG2-CG 4.32Å; T175-L179 WeakPolarHBondContact O-CB 3.41Å; T175-L179 VanDerWaalsContact O-CG 3.24Å; T175-L179 WeakPolarHBondContact O-CG 3.49Å; T175-L179 PolarHBondContact O-N 2.96Å |
| 176 | R | 97.8 | Very high | 87.2 | Confident | 76 Ų | 76 | 69.1 Ų | 69.1 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.6 | -44.4 | 175.8 | -172.3 | 174.9 | -64.3 | 109.8 | -0.7 | 111.5 | V48 D49 E172 M173 L179 Q180 | V48-R176 HydrophobicContact CG1-CB 4.24Å; D49-R176 IonicContact OD1-CZ 3.91Å; D49-R176 IonicContact OD1-NE 3.05Å; D49-R176 IonicContact OD1-NH2 2.95Å; D49-R176 PolarHBondContact OD1-NH2 2.91Å; D49-R176 IonicContact OD2-CZ 2.85Å; D49-R176 IonicContact OD2-NE 2.9Å; D49-R176 PolarHBondContact OD2-NE 3.1Å; D49-R176 IonicContact OD2-NH2 3.68Å; E172-R176 VanDerWaalsContact O-CB 3.29Å; E172-R176 WeakPolarHBondContact O-CB 3.49Å; E172-R176 PolarHBondContact O-N 3.46Å; M173-R176 PolarHBondContact O-N 3.36Å; R176-L179 PolarHBondContact O-N 2.98Å; R176-Q180 VanDerWaalsContact O-CG 3.3Å; R176-Q180 WeakPolarHBondContact O-CG 3.15Å; R176-Q180 PolarHBondContact O-N 3.29Å |
| 177 | A | 98.3 | Very high | 84.7 | Confident | 1 Ų | 1 | 78.5 Ų | 78.5 | 1% | 0.008 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.4 | -46 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | V79 P111 I113 F154 M173 A174 T175 L179 Q180 A181 | V79-A177 HydrophobicContact CG2-CB 4.38Å; P111-A177 HydrophobicContact CB-CB 3.96Å; P111-A177 HydrophobicContact CG-CB 4Å; I113-A177 HydrophobicContact CD1-CB 4.04Å; F154-A177 HydrophobicContact CD1-CB 3.62Å; F154-A177 HydrophobicContact CD2-CB 4.03Å; F154-A177 HydrophobicContact CE1-CB 3.7Å; F154-A177 HydrophobicContact CE2-CB 4.1Å; F154-A177 HydrophobicContact CG-CB 3.8Å; F154-A177 HydrophobicContact CZ-CB 3.95Å; M173-A177 WeakPolarHBondContact O-CB 3.25Å; M173-A177 PolarHBondContact O-N 3.42Å; A174-A177 PolarHBondContact O-N 3.44Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 3.2Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.22Å; A177-Q180 PolarHBondContact O-N 3.21Å; A177-A181 PolarHBondContact O-N 3.3Å |
| 178 | A | 97.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62 | -34.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K6 D78 V79 A174 T175 | K6-A178 HydrophobicContact CB-CB 4.34Å; K6-A178 HydrophobicContact CD-CB 4Å; K6-A178 VanDerWaalsContact CE-O 3.27Å; K6-A178 WeakPolarHBondContact CE-O 3.45Å; K6-A178 HydrophobicContact CG-CB 4.13Å; K6-A178 PolarHBondContact NZ-O 3.41Å; D78-A178 HydrophobicContact CB-CB 4.04Å; V79-A178 HydrophobicContact CB-CB 3.94Å; V79-A178 HydrophobicContact CG1-CB 3.91Å; A174-A178 WeakPolarHBondContact O-CB 3.2Å; A174-A178 PolarHBondContact O-N 2.94Å; T175-A178 WeakPolarHBondContact O-CB 3.26Å; T175-A178 PolarHBondContact O-N 3.21Å |
| 179 | L | 96.2 | Very high | 79.6 | Confident | 41 Ų | 41 | 80.3 Ų | 80.3 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -75.5 | -32.9 | 177.4 | -72.4 | 171.4 | 0 | 0 | 0 | 112.8 | I4 K51 V53 T175 R176 A177 | I4-L179 HydrophobicContact CD1-CD2 4.41Å; I4-L179 HydrophobicContact CG2-CD2 3.81Å; K51-L179 HydrophobicContact CD-CD1 4.16Å; K51-L179 HydrophobicContact CD-CD2 4.5Å; V53-L179 HydrophobicContact CG2-CD1 4.09Å; V53-L179 HydrophobicContact CG2-CD2 4.12Å; V53-L179 HydrophobicContact CG2-CG 4.45Å; T175-L179 HydrophobicContact CG2-CD1 3.95Å; T175-L179 HydrophobicContact CG2-CG 4.32Å; T175-L179 WeakPolarHBondContact O-CB 3.41Å; T175-L179 VanDerWaalsContact O-CG 3.24Å; T175-L179 WeakPolarHBondContact O-CG 3.49Å; T175-L179 PolarHBondContact O-N 2.96Å; R176-L179 PolarHBondContact O-N 2.98Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.22Å |
| 180 | Q | 92.5 | Very high | 76.9 | Confident | 119 Ų | 119 | 81.9 Ų | 81.9 | 56% | 0.556 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -80.3 | -26.7 | 178 | -70.2 | 178 | 18.3 | 0 | 0 | 112.7 | R176 A177 R182 | R176-Q180 VanDerWaalsContact O-CG 3.3Å; R176-Q180 WeakPolarHBondContact O-CG 3.15Å; R176-Q180 PolarHBondContact O-N 3.29Å; A177-Q180 PolarHBondContact O-N 3.21Å; Q180-R182 PolarHBondContact O-N 3.02Å |
| 181 | A | 85.4 | Confident | 74.2 | Confident | 36 Ų | 36 | 89 Ų | 89 | 30% | 0.298 | 46% | 0.455 | S | S | . | . | trans | -59.6 | 109.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P111 A177 R183 | P111-A181 HydrophobicContact CG-CB 4.23Å; A177-A181 PolarHBondContact O-N 3.3Å; A181-R183 PolarHBondContact O-N 2.92Å | ||
| 182 | R | 67.7 | Low | 71.8 | Confident | 237 Ų | 237 | 95.5 Ų | 95.5 | 89% | 0.894 | 50% | 0.495 | S | S | * | . | trans | -64 | 122.3 | 166.8 | -74.7 | -179.2 | 153 | -170 | -5.8 | 106.9 | Q180 G184 | Q180-R182 PolarHBondContact O-N 3.02Å; R182-G184 VanDerWaalsContact C-N 3.35Å; R182-G184 PolarHBondContact O-N 3.23Å | ||
| 183 | R | 59.7 | Low | 69.2 | Low | 185 Ų | 185 | 103.8 Ų | 103.8 | 70% | 0.698 | 54% | 0.54 | S | S | * | . | trans | -55.3 | 106 | 167.4 | -66.8 | -178.8 | 99.9 | 161.9 | 7 | 106.2 | A181 K185 | A181-R183 PolarHBondContact O-N 2.92Å; R183-K185 PolarHBondContact O-N 3.27Å; R183-K185 VanDerWaalsContact O-N 3.13Å | ||
| 184 | G | 55 | Low | 67.7 | Low | 54 Ų | 54 | 107 Ų | 107 | 56% | 0.557 | 56% | 0.556 | S | S | * | * | trans | -48.8 | 126.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 106.3 | R182 K186 | R182-G184 VanDerWaalsContact C-N 3.35Å; R182-G184 PolarHBondContact O-N 3.23Å; G184-K186 PolarHBondContact O-N 2.92Å | ||
| 185 | K | 46.4 | Very low | 66 | Low | 204 Ų | 204 | 112.6 Ų | 112.6 | 89% | 0.887 | 59% | 0.586 | S | S | * | * | trans | -42.7 | 115.5 | -179.6 | -75.3 | -179.5 | 176.4 | 178.6 | 0 | 107.2 | R183 K187 | R183-K185 PolarHBondContact O-N 3.27Å; R183-K185 VanDerWaalsContact O-N 3.13Å; K185-K187 PolarHBondContact O-N 2.68Å | ||
| 186 | K | 48.3 | Very low | 64.3 | Low | 161 Ų | 161 | 118.8 Ų | 118.8 | 70% | 0.7 | 62% | 0.618 | S | S | * | * | trans | -47.4 | 121.9 | 169.5 | -81.6 | -172.2 | 173.7 | -173.4 | 0 | 104.9 | G184 S188 | G184-K186 PolarHBondContact O-N 2.92Å; K186-S188 PolarHBondContact O-N 3.19Å | ||
| 187 | K | 46.4 | Very low | 62.3 | Low | 204 Ų | 204 | 121.4 Ų | 121.4 | 89% | 0.887 | 64% | 0.638 | S | S | * | * | trans | -60 | 96.5 | 167.3 | -79.1 | -173.9 | 176.6 | -180 | 0 | 105.4 | K185 G189 | K185-K187 PolarHBondContact O-N 2.68Å; K187-G189 VanDerWaalsContact C-N 3.27Å; K187-G189 PolarHBondContact O-N 3.42Å | ||
| 188 | S | 44.6 | Very low | 60 | Low | 124 Ų | 124 | 128.9 Ų | 128.9 | 87% | 0.867 | 68% | 0.677 | S | S | * | * | trans | -66.9 | 94.6 | 165.5 | 52.3 | 0 | 0 | 0 | 0 | 105.6 | K186 | K186-S188 PolarHBondContact O-N 3.19Š| ||
| 189 | G | 44.4 | Very low | 57.5 | Low | 64 Ų | 64 | 137.5 Ų | 137.5 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | trans | 159.3 | 77.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K187 | K187-G189 VanDerWaalsContact C-N 3.27Å; K187-G189 PolarHBondContact O-N 3.42Å | ||
| 190 | C | 41.8 | Very low | 54.8 | Low | 123 Ų | 123 | 144.4 Ų | 144.4 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -123.3 | 97 | 133.6 | -153.5 | 0 | 0 | 0 | 0 | 105.9 | V192 | C190-V192 PolarHBondContact O-N 3.1Š| ||
| 191 | L | 43.8 | Very low | 51.8 | Low | 149 Ų | 149 | 146.3 Ų | 146.3 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | trans | -64.4 | 114.8 | 161.4 | -124.5 | 82.5 | 0 | 0 | 0 | 105 | L193 | L191-L193 PolarHBondContact O-N 3.35Š| ||
| 192 | V | 47 | Very low | 49.1 | Very low | 137 Ų | 137 | 155.5 Ų | 155.5 | 83% | 0.83 | 81% | 0.814 | S | S | * | * | trans | -68.9 | 113.9 | 164.1 | -174.9 | 0 | 0 | 0 | 0 | 105.5 | C190 | C190-V192 PolarHBondContact O-N 3.1Š| ||
| 193 | L | 43.6 | Very low | 47.4 | Very low | 224 Ų | 224 | 148.1 Ų | 148.1 | 100% | 1.173 | 81% | 0.806 | S | S | * | * | trans | -96.7 | 0 | 158.3 | -80 | 169.3 | 0 | 0 | 0 | 107.6 | L191 | L191-L193 PolarHBondContact O-N 3.35Š|
Retrieved 193 of 193 residues in 40.6 ms
(Link to these results)