| 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 | 71.3 | Confident | 92.3 | Very high | 244 Ų | 244 | 78.5 Ų | 78.5 | 100% | 1.202 | 42% | 0.416 | S | S | * | . | 0 | 131.9 | 0 | -150.9 | 177.7 | -166.3 | 0 | 0 | 108.6 | |||||
| 2 | G | 86.3 | Confident | 92.7 | Very high | 64 Ų | 64 | 74.2 Ų | 74.2 | 66% | 0.66 | 39% | 0.392 | S | S | * | . | trans | -79.3 | 139.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F4 | G2-F4 PolarHBondContact O-N 3.31Š| ||
| 3 | K | 90.9 | Very high | 93.2 | Very high | 128 Ų | 128 | 68.5 Ų | 68.5 | 56% | 0.557 | 36% | 0.362 | S | S | * | . | trans | -60.9 | 130.9 | 174.5 | -66.6 | -176.1 | 172 | -174.1 | 0 | 110.8 | K6 D30 | K3-K6 WeakPolarHBondContact O-CE 3.34Å; K3-D30 VanDerWaalsContact CD-OD2 3.25Å; K3-D30 WeakPolarHBondContact CD-OD2 3.34Å; K3-D30 WeakPolarHBondContact CE-OD2 3.45Å; K3-D30 IonicContact NZ-OD2 2.75Å; K3-D30 PolarHBondContact NZ-OD2 3.31Å | ||
| 4 | F | 93.1 | Very high | 93.5 | Very high | 133 Ų | 133 | 70.6 Ų | 70.6 | 58% | 0.583 | 37% | 0.373 | S | S | * | . | trans | -113.1 | -13.6 | -176 | 55.5 | -96.5 | 0 | 0 | 0 | 114.6 | G2 K6 P82 | G2-F4 PolarHBondContact O-N 3.31Å; F4-K6 VanDerWaalsContact C-N 3.26Å; F4-K6 PolarHBondContact O-N 3.26Å; F4-P82 HydrophobicContact CD2-CB 4.17Å; F4-P82 HydrophobicContact CE2-CB 3.91Å; F4-P82 HydrophobicContact CE2-CG 3.89Å | ||
| 5 | M | 95.3 | Very high | 93.8 | Very high | 21 Ų | 21 | 68.3 Ų | 68.3 | 10% | 0.103 | 37% | 0.368 | C | S | . | . | trans | -77.9 | 72.9 | 173.7 | -69.8 | -67.7 | -81.4 | 0 | 0 | 110.8 | V11 I25 N28 Y77 L80 P82 | M5-V11 HydrophobicContact CE-CG1 4.23Å; M5-V11 HydrophobicContact SD-CG1 4.26Å; M5-I25 HydrophobicContact CB-CD1 4.3Å; M5-I25 HydrophobicContact CE-CD1 3.75Å; M5-I25 HydrophobicContact SD-CD1 3.91Å; M5-N28 VanDerWaalsContact O-CB 3.27Å; M5-N28 WeakPolarHBondContact O-CB 3.41Å; M5-Y77 HydrophobicContact CB-CE2 4.23Å; M5-Y77 HydrophobicContact CE-CD1 3.69Å; M5-Y77 HydrophobicContact CE-CD2 4.49Å; M5-Y77 HydrophobicContact CE-CE1 3.88Å; M5-Y77 HydrophobicContact CE-CG 4.04Å; M5-Y77 HydrophobicContact CG-CE2 4.38Å; M5-L80 HydrophobicContact CE-CB 4.32Å; M5-L80 HydrophobicContact CE-CD1 4.04Å; M5-P82 HydrophobicContact SD-CB 3.95Å | ||
| 6 | K | 95 | Very high | 93.9 | Very high | 118 Ų | 118 | 67.5 Ų | 67.5 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | trans | -107.4 | 155.7 | -175.2 | -69.3 | 179.4 | 171.2 | 172.9 | 0 | 112.2 | K3 F4 K9 | K3-K6 WeakPolarHBondContact O-CE 3.34Å; F4-K6 VanDerWaalsContact C-N 3.26Å; F4-K6 PolarHBondContact O-N 3.26Å; K6-K9 HydrophobicContact CB-CG 4.24Å; K6-K9 VanDerWaalsContact O-CB 3.24Å; K6-K9 WeakPolarHBondContact O-CB 3.47Å; K6-K9 WeakPolarHBondContact O-CG 3.47Å; K6-K9 PolarHBondContact O-N 2.79Å; K6-K9 VanDerWaalsContact O-N 3.12Å | ||
| 7 | P | 95.3 | Very high | 94.1 | Very high | 66 Ų | 66 | 74.6 Ų | 74.6 | 43% | 0.429 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 141.9 | 170 | -26.3 | 36.9 | 0 | 0 | 0 | 111.8 | K9 I25 N28 | P7-K9 PolarHBondContact O-N 3.12Å; P7-I25 CarbonylContact C-O 3.5Å; P7-I25 VanDerWaalsContact CA-O 3.32Å; P7-I25 WeakPolarHBondContact CA-O 3.45Å; P7-N28 WeakPolarHBondContact CD-OD1 3.25Å |
| 8 | G | 95 | Very high | 94.4 | Very high | 23 Ų | 23 | 72.4 Ų | 72.4 | 24% | 0.237 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | -7.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | I25 S86 V87 | G8-I25 PolarHBondContact N-O 2.87Å; G8-S86 WeakPolarHBondContact O-CA 3.35Å; G8-V87 PolarHBondContact O-N 2.9Å |
| 9 | K | 96.9 | Very high | 94.6 | Very high | 67 Ų | 67 | 70.7 Ų | 70.7 | 29% | 0.291 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 140.3 | 170.9 | -68.9 | -70.9 | -172.7 | 178.6 | 0 | 111.1 | K6 P7 V24 I25 | K6-K9 HydrophobicContact CB-CG 4.24Å; K6-K9 VanDerWaalsContact O-CB 3.24Å; K6-K9 WeakPolarHBondContact O-CB 3.47Å; K6-K9 WeakPolarHBondContact O-CG 3.47Å; K6-K9 PolarHBondContact O-N 2.79Å; K6-K9 VanDerWaalsContact O-N 3.12Å; P7-K9 PolarHBondContact O-N 3.12Å; K9-V24 WeakPolarHBondContact O-CA 3.47Å; K9-I25 HydrophobicContact CB-CD1 4.38Å; K9-I25 PolarHBondContact O-N 3.27Å |
| 10 | V | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 133.5 | 174.6 | -177 | 0 | 0 | 0 | 0 | 109.2 | A23 V24 T83 Y85 V87 W129 F130 | V10-A23 CarbonylContact C-O 3.55Å; V10-A23 WeakPolarHBondContact CA-O 3.29Å; V10-V24 HydrophobicContact CG2-CG2 4.35Å; V10-T83 WeakPolarHBondContact O-CB 3.43Å; V10-T83 PolarHBondContact O-N 3.33Å; V10-T83 PolarHBondContact O-OG1 2.9Å; V10-Y85 WeakPolarHBondContact CB-O 3.28Å; V10-Y85 PolarHBondContact N-O 2.72Å; V10-V87 HydrophobicContact CG2-CB 3.99Å; V10-V87 HydrophobicContact CG2-CG2 3.31Å; V10-W129 HydrophobicContact CG1-CZ3 3.78Å; V10-F130 HydrophobicContact CG1-CD2 3.74Å; V10-F130 HydrophobicContact CG1-CE2 4.15Å; V10-F130 HydrophobicContact CG2-CD2 4.1Å |
| 11 | V | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 153.1 | 176.3 | -64.6 | 0 | 0 | 0 | 0 | 109.7 | M5 A23 I25 V43 L80 M81 | M5-V11 HydrophobicContact CE-CG1 4.23Å; M5-V11 HydrophobicContact SD-CG1 4.26Å; V11-A23 HydrophobicContact CG2-CB 4.1Å; V11-A23 PolarHBondContact N-O 3.38Å; V11-A23 PolarHBondContact O-N 3.5Å; V11-I25 HydrophobicContact CG1-CD1 3.71Å; V11-I25 HydrophobicContact CG1-CG1 3.8Å; V11-I25 HydrophobicContact CG2-CG1 4.23Å; V11-V43 HydrophobicContact CG2-CG1 4.27Å; V11-L80 HydrophobicContact CB-CB 4.41Å; V11-L80 HydrophobicContact CB-CD2 4.4Å; V11-L80 HydrophobicContact CG2-CD1 4.33Å; V11-L80 HydrophobicContact CG2-CD2 3.94Å; V11-M81 CarbonylContact C-O 3.56Å; V11-M81 WeakPolarHBondContact CA-O 3.41Å |
| 12 | M | 98 | Very high | 96.2 | Very high | 26 Ų | 26 | 56.1 Ų | 56.1 | 13% | 0.128 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 137.1 | 166.3 | -58.1 | -152.9 | -54.7 | 0 | 0 | 109.9 | K22 L80 M81 T83 W129 L134 | M12-K22 HydrophobicContact CG-CG 4.41Å; M12-L80 CarbonylContact O-C 3.53Å; M12-L80 WeakPolarHBondContact O-CA 3.31Å; M12-M81 HydrophobicContact CB-CB 4.28Å; M12-M81 HydrophobicContact CE-SD 3.79Å; M12-M81 PolarHBondContact N-O 3.04Å; M12-M81 PolarHBondContact O-N 3.11Å; M12-T83 HydrophobicContact CG-CG2 3.92Å; M12-W129 HydrophobicContact CG-CH2 4.22Å; M12-W129 HydrophobicContact SD-CH2 4.07Å; M12-W129 HydrophobicContact SD-CZ2 4.38Å; M12-L134 HydrophobicContact CE-CD2 3.82Å; M12-L134 HydrophobicContact SD-CD2 3.69Å |
| 13 | V | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 127.2 | 175.8 | 177.5 | 0 | 0 | 0 | 0 | 108.8 | A15 Y18 A19 G20 R21 A23 F71 F75 L80 | V13-A15 WeakPolarHBondContact CG1-O 3.33Å; V13-Y18 VanDerWaalsContact CB-O 3.26Å; V13-Y18 WeakPolarHBondContact CB-O 3.38Å; V13-Y18 WeakPolarHBondContact CG1-O 3.33Å; V13-A19 CarbonylContact O-C 3.54Å; V13-A19 WeakPolarHBondContact O-CA 3.44Å; V13-G20 PolarHBondContact O-N 2.66Å; V13-R21 PolarHBondContact N-O 3.37Å; V13-A23 HydrophobicContact CG2-CB 4.48Å; V13-F71 HydrophobicContact CG2-CZ 4.29Å; V13-F75 HydrophobicContact CB-CZ 4.39Å; V13-F75 HydrophobicContact CG1-CD1 4.23Å; V13-F75 HydrophobicContact CG1-CE1 3.47Å; V13-F75 VanDerWaalsContact CG1-CE1 3.47Å; V13-F75 HydrophobicContact CG1-CE2 4.3Å; V13-F75 HydrophobicContact CG1-CZ 3.49Å; V13-F75 VanDerWaalsContact CG1-CZ 3.49Å; V13-F75 HydrophobicContact CG2-CD2 4.48Å; V13-F75 HydrophobicContact CG2-CE2 3.93Å; V13-F75 HydrophobicContact CG2-CZ 3.94Å; V13-L80 HydrophobicContact CG2-CD2 4.05Å |
| 14 | L | 98.3 | Very high | 97.1 | Very high | 97 Ų | 97 | 47.2 Ų | 47.2 | 51% | 0.508 | 25% | 0.252 | S | S | . | . | trans | -92.8 | -31 | -179 | -63.8 | 177.5 | 0 | 0 | 0 | 112.8 | A19 H79 M81 | L14-A19 WeakPolarHBondContact O-CB 3.46Å; L14-H79 PolarHBondContact N-O 3.19Å; L14-M81 HydrophobicContact CD1-CB 4.1Å; L14-M81 HydrophobicContact CD2-CB 3.9Å; L14-M81 HydrophobicContact CG-CB 4.04Å | ||
| 15 | A | 96.9 | Very high | 97.2 | Very high | 36 Ų | 36 | 41 Ų | 41 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -129.1 | 157 | -170 | 0 | 0 | 0 | 0 | 0 | 114.8 | V13 H79 | V13-A15 WeakPolarHBondContact CG1-O 3.33Å; A15-H79 HydrophobicContact CB-CB 4.19Å |
| 16 | G | 96.6 | Very high | 97.3 | Very high | 56 Ų | 56 | 40.5 Ų | 40.5 | 58% | 0.577 | 22% | 0.222 | S | C | * | . | S | Bend | trans | 75.8 | -167.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y18 A19 | G16-Y18 PolarHBondContact O-N 3.49Å; G16-A19 WeakPolarHBondContact O-CB 3.45Å; G16-A19 PolarHBondContact O-N 3.41Å |
| 17 | R | 97.4 | Very high | 97.3 | Very high | 189 Ų | 189 | 40.4 Ų | 40.4 | 71% | 0.713 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -30 | -174.8 | 179.4 | 177.8 | 176.3 | 164.4 | 8.1 | 115.3 | ||
| 18 | Y | 98.2 | Very high | 97.2 | Very high | 34 Ų | 34 | 39.4 Ų | 39.4 | 13% | 0.133 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 19.4 | -177.6 | -53.9 | -63.9 | 0 | 0 | 0 | 112.8 | V13 G16 R21 D47 F71 K73 F75 | V13-Y18 VanDerWaalsContact CB-O 3.26Å; V13-Y18 WeakPolarHBondContact CB-O 3.38Å; V13-Y18 WeakPolarHBondContact CG1-O 3.33Å; G16-Y18 PolarHBondContact O-N 3.49Å; Y18-R21 WeakPolarHBondContact O-CB 3.48Å; Y18-R21 WeakPolarHBondContact O-CG 3.46Å; Y18-R21 PolarHBondContact O-N 3.29Å; Y18-R21 VanDerWaalsContact O-N 3.08Å; Y18-D47 HydrophobicContact CD1-CB 4.48Å; Y18-D47 HydrophobicContact CE1-CB 4.15Å; Y18-F71 HydrophobicContact CD1-CB 4.41Å; Y18-F71 AromaticContact CD1-CD1 3.63Å; Y18-F71 HydrophobicContact CD1-CD1 3.63Å; Y18-F71 HydrophobicContact CD1-CD2 4.45Å; Y18-F71 AromaticContact CD1-CE1 3.9Å; Y18-F71 HydrophobicContact CD1-CE1 3.9Å; Y18-F71 AromaticContact CD1-CG 3.92Å; Y18-F71 HydrophobicContact CD1-CG 3.92Å; Y18-F71 HydrophobicContact CD1-CZ 4.43Å; Y18-F71 HydrophobicContact CD2-CD1 4.39Å; Y18-F71 AromaticContact CD2-CD2 3.76Å; Y18-F71 HydrophobicContact CD2-CD2 3.76Å; Y18-F71 AromaticContact CD2-CE2 3.96Å; Y18-F71 HydrophobicContact CD2-CE2 3.96Å; Y18-F71 AromaticContact CD2-CG 3.99Å; Y18-F71 HydrophobicContact CD2-CG 3.99Å; Y18-F71 HydrophobicContact CD2-CZ 4.34Å; Y18-F71 HydrophobicContact CE1-CB 3.77Å; Y18-F71 AromaticContact CE1-CD1 3.81Å; Y18-F71 HydrophobicContact CE1-CD1 3.81Å; Y18-F71 AromaticContact CE1-CG 3.79Å; Y18-F71 HydrophobicContact CE1-CG 3.79Å; Y18-F71 HydrophobicContact CE2-CB 3.96Å; Y18-F71 AromaticContact CE2-CD2 3.84Å; Y18-F71 HydrophobicContact CE2-CD2 3.84Å; Y18-F71 HydrophobicContact CE2-CE2 4.5Å; Y18-F71 AromaticContact CE2-CG 3.87Å; Y18-F71 HydrophobicContact CE2-CG 3.87Å; Y18-F71 AromaticContact CG-CD1 3.94Å; Y18-F71 HydrophobicContact CG-CD1 3.94Å; Y18-F71 HydrophobicContact CG-CD2 4.08Å; Y18-F71 AromaticContact CG-CE1 3.91Å; Y18-F71 HydrophobicContact CG-CE1 3.91Å; Y18-F71 HydrophobicContact CG-CE2 4.08Å; Y18-F71 HydrophobicContact CG-CG 4.02Å; Y18-F71 AromaticContact CG-CZ 3.98Å; Y18-F71 HydrophobicContact CG-CZ 3.98Å; Y18-F71 AromaticContact CZ-CG 3.77Å; Y18-K73 HydrophobicContact CD2-CD 4.09Å; Y18-K73 HydrophobicContact CE2-CD 4.09Å; Y18-F75 HydrophobicContact CD2-CZ 4.18Å |
| 19 | A | 98.1 | Very high | 97.3 | Very high | 41 Ų | 41 | 39.2 Ų | 39.2 | 34% | 0.339 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 140.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V13 L14 G16 R21 | V13-A19 CarbonylContact O-C 3.54Å; V13-A19 WeakPolarHBondContact O-CA 3.44Å; L14-A19 WeakPolarHBondContact O-CB 3.46Å; G16-A19 WeakPolarHBondContact O-CB 3.45Å; G16-A19 PolarHBondContact O-N 3.41Å; A19-R21 PolarHBondContact O-N 2.8Å |
| 20 | G | 97.6 | Very high | 97.1 | Very high | 14 Ų | 14 | 37.5 Ų | 37.5 | 14% | 0.144 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 6.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115 | V13 | V13-G20 PolarHBondContact O-N 2.66Š|
| 21 | R | 98.4 | Very high | 96.9 | Very high | 61 Ų | 61 | 44.2 Ų | 44.2 | 23% | 0.23 | 24% | 0.236 | C | C | . | . | trans | -93.6 | 144.4 | 176.6 | -53.8 | -56.6 | 177.7 | 142.3 | 7.8 | 111.5 | V13 Y18 A19 I46 D47 F71 | V13-R21 PolarHBondContact N-O 3.37Å; Y18-R21 WeakPolarHBondContact O-CB 3.48Å; Y18-R21 WeakPolarHBondContact O-CG 3.46Å; Y18-R21 PolarHBondContact O-N 3.29Å; Y18-R21 VanDerWaalsContact O-N 3.08Å; A19-R21 PolarHBondContact O-N 2.8Å; R21-I46 WeakPolarHBondContact CD-O 3.41Å; R21-D47 PolarHBondContact NH1-O 3.03Å; R21-D47 PolarHBondContact NH2-O 3.01Å; R21-F71 HydrophobicContact CB-CE1 3.95Å; R21-F71 HydrophobicContact CB-CZ 4.27Å; R21-F71 HydrophobicContact CG-CE1 4.46Å | ||
| 22 | K | 98.4 | Very high | 96.6 | Very high | 3 Ų | 3 | 45 Ų | 45 | 1% | 0.013 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 136.7 | 174.8 | -63.6 | 170.1 | -178.8 | 171.5 | 0 | 109.3 | M12 G45 I46 Y49 W129 F130 Q132 | M12-K22 HydrophobicContact CG-CG 4.41Å; K22-G45 WeakPolarHBondContact O-CA 3.37Å; K22-I46 PolarHBondContact O-N 3.3Å; K22-Y49 WeakPolarHBondContact CB-OH 3.15Å; K22-Y49 WeakPolarHBondContact CG-OH 3.45Å; K22-Y49 PolarHBondContact N-OH 3.14Å; K22-W129 HydrophobicContact CD-CE3 3.98Å; K22-W129 HydrophobicContact CD-CH2 4.03Å; K22-W129 HydrophobicContact CD-CZ3 3.73Å; K22-W129 HydrophobicContact CG-CH2 4.32Å; K22-W129 HydrophobicContact CG-CZ3 4.18Å; K22-W129 PolarHBondContact NZ-O 2.89Å; K22-F130 HydrophobicContact CB-CD2 3.9Å; K22-F130 HydrophobicContact CB-CE2 3.89Å; K22-Q132 PolarHBondContact NZ-O 3.21Å |
| 23 | A | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 160.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | V10 V11 V13 V43 A44 F71 | V10-A23 CarbonylContact C-O 3.55Å; V10-A23 WeakPolarHBondContact CA-O 3.29Å; V11-A23 HydrophobicContact CG2-CB 4.1Å; V11-A23 PolarHBondContact N-O 3.38Å; V11-A23 PolarHBondContact O-N 3.5Å; V13-A23 HydrophobicContact CG2-CB 4.48Å; A23-V43 HydrophobicContact CB-CB 3.92Å; A23-V43 HydrophobicContact CB-CG2 3.81Å; A23-A44 CarbonylContact C-O 3.59Å; A23-A44 WeakPolarHBondContact CA-O 3.36Å; A23-F71 HydrophobicContact CB-CZ 4.19Å |
| 24 | V | 97.5 | Very high | 96 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 4% | 0.036 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135 | 172.9 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | K9 V10 V26 V43 A44 V87 F130 | K9-V24 WeakPolarHBondContact O-CA 3.47Å; V10-V24 HydrophobicContact CG2-CG2 4.35Å; V24-V26 PolarHBondContact O-N 3.01Å; V24-V43 VanDerWaalsContact O-CA 3.27Å; V24-V43 WeakPolarHBondContact O-CA 3.5Å; V24-V43 WeakPolarHBondContact O-CB 3.34Å; V24-A44 PolarHBondContact N-O 3.06Å; V24-A44 PolarHBondContact O-N 3.44Å; V24-V87 HydrophobicContact CG2-CB 4.04Å; V24-V87 HydrophobicContact CG2-CG1 4.38Å; V24-F130 HydrophobicContact CG2-CD2 4.43Å; V24-F130 HydrophobicContact CG2-CE1 4.38Å; V24-F130 HydrophobicContact CG2-CE2 3.7Å; V24-F130 HydrophobicContact CG2-CZ 3.67Å |
| 25 | I | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 122 | 171.6 | -60.6 | 177.5 | 0 | 0 | 0 | 108.2 | M5 P7 G8 K9 V11 N28 A41 V43 | M5-I25 HydrophobicContact CB-CD1 4.3Å; M5-I25 HydrophobicContact CE-CD1 3.75Å; M5-I25 HydrophobicContact SD-CD1 3.91Å; P7-I25 CarbonylContact C-O 3.5Å; P7-I25 VanDerWaalsContact CA-O 3.32Å; P7-I25 WeakPolarHBondContact CA-O 3.45Å; G8-I25 PolarHBondContact N-O 2.87Å; K9-I25 HydrophobicContact CB-CD1 4.38Å; K9-I25 PolarHBondContact O-N 3.27Å; V11-I25 HydrophobicContact CG1-CD1 3.71Å; V11-I25 HydrophobicContact CG1-CG1 3.8Å; V11-I25 HydrophobicContact CG2-CG1 4.23Å; I25-N28 HydrophobicContact CG2-CB 4.24Å; I25-A41 HydrophobicContact CG1-CB 4.42Å; I25-A41 HydrophobicContact CG2-CB 4.08Å; I25-V43 HydrophobicContact CG1-CG1 4.45Å |
| 26 | V | 95.9 | Very high | 95.4 | Very high | 11 Ų | 11 | 56.3 Ų | 56.3 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | -44.8 | 174.7 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | V24 L42 A44 L91 V96 | V24-V26 PolarHBondContact O-N 3.01Å; V26-L42 HydrophobicContact CB-CG 4.34Å; V26-L42 PolarHBondContact N-O 3.37Å; V26-A44 HydrophobicContact CG2-CB 3.84Å; V26-L91 HydrophobicContact CG2-CD1 3.68Å; V26-V96 HydrophobicContact CB-CG1 4.47Å; V26-V96 HydrophobicContact CG1-CB 4.31Å; V26-V96 HydrophobicContact CG1-CG1 4.07Å; V26-V96 HydrophobicContact CG2-CG1 4.09Å |
| 27 | K | 94.9 | Very high | 95.3 | Very high | 116 Ų | 116 | 59 Ų | 59 | 50% | 0.504 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 125 | 177.4 | -174.3 | 174.1 | -178.6 | 174.5 | 0 | 109.2 | I29 A41 L42 | K27-I29 HydrophobicContact CG-CD1 4.27Å; K27-A41 WeakPolarHBondContact O-CA 3.35Å; K27-L42 HydrophobicContact CB-CB 4.23Å; K27-L42 PolarHBondContact N-O 2.89Å; K27-L42 PolarHBondContact O-N 2.86Å |
| 28 | N | 94.9 | Very high | 95.3 | Very high | 46 Ų | 46 | 54.4 Ų | 54.4 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 141.8 | 170.4 | 67.8 | -62.5 | 0 | 0 | 0 | 109.6 | M5 P7 I25 D30 Y77 | M5-N28 VanDerWaalsContact O-CB 3.27Å; M5-N28 WeakPolarHBondContact O-CB 3.41Å; P7-N28 WeakPolarHBondContact CD-OD1 3.25Å; I25-N28 HydrophobicContact CG2-CB 4.24Å; N28-D30 PolarHBondContact ND2-OD1 2.92Å; N28-D30 PolarHBondContact ND2-OD2 2.68Å; N28-Y77 WeakPolarHBondContact CB-OH 3.09Å |
| 29 | I | 95.4 | Very high | 95.2 | Very high | 18 Ų | 18 | 55.1 Ų | 55.1 | 9% | 0.092 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 98 | 171.3 | -61.8 | 100.2 | 0 | 0 | 0 | 106.5 | K27 G32 T33 S39 H40 Y77 | K27-I29 HydrophobicContact CG-CD1 4.27Å; I29-G32 VanDerWaalsContact CG2-O 3.3Å; I29-G32 WeakPolarHBondContact CG2-O 3.49Å; I29-T33 HydrophobicContact CG2-CG2 4.15Å; I29-S39 WeakPolarHBondContact O-CA 3.26Å; I29-H40 CarbonylContact C-O 3.59Å; I29-H40 WeakPolarHBondContact CA-O 3.47Å; I29-H40 PolarHBondContact N-O 3.03Å; I29-H40 PolarHBondContact O-N 2.91Å; I29-Y77 PolarHBondContact N-OH 3.01Å |
| 30 | D | 94.1 | Very high | 95.2 | Very high | 31 Ų | 31 | 53.2 Ų | 53.2 | 17% | 0.166 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -79.5 | -37.9 | -172.4 | -56.5 | -22.2 | 0 | 0 | 0 | 111.2 | K3 N28 S39 Y77 | K3-D30 VanDerWaalsContact CD-OD2 3.25Å; K3-D30 WeakPolarHBondContact CD-OD2 3.34Å; K3-D30 WeakPolarHBondContact CE-OD2 3.45Å; K3-D30 IonicContact NZ-OD2 2.75Å; K3-D30 PolarHBondContact NZ-OD2 3.31Å; N28-D30 PolarHBondContact ND2-OD1 2.92Å; N28-D30 PolarHBondContact ND2-OD2 2.68Å; D30-S39 WeakPolarHBondContact O-CB 3.39Å; D30-S39 PolarHBondContact O-OG 3.27Å; D30-Y77 PolarHBondContact OD1-OH 3.37Å |
| 31 | D | 92.8 | Very high | 95.1 | Very high | 142 Ų | 142 | 52.6 Ų | 52.6 | 76% | 0.759 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -96.7 | 5.3 | -170.5 | -46.7 | -53.8 | 0 | 0 | 0 | 113.4 | ||
| 32 | G | 91.8 | Very high | 95 | Very high | 15 Ų | 15 | 49.7 Ų | 49.7 | 16% | 0.155 | 27% | 0.269 | C | S | . | . | trans | 79.3 | -177 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | I29 R36 | I29-G32 VanDerWaalsContact CG2-O 3.3Å; I29-G32 WeakPolarHBondContact CG2-O 3.49Å; G32-R36 CarbonylContact C-O 3.56Å; G32-R36 VanDerWaalsContact CA-O 3.32Å; G32-R36 WeakPolarHBondContact CA-O 3.45Å | ||
| 33 | T | 92.6 | Very high | 95 | Very high | 47 Ų | 47 | 49.5 Ų | 49.5 | 29% | 0.288 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -138.1 | 167.3 | 172.2 | 41.3 | 0 | 0 | 0 | 0 | 109.6 | I29 D35 R36 H40 K98 | I29-T33 HydrophobicContact CG2-CG2 4.15Å; T33-D35 WeakPolarHBondContact CB-OD1 3.4Å; T33-D35 PolarHBondContact O-N 3.45Å; T33-D35 VanDerWaalsContact O-N 3.15Å; T33-D35 PolarHBondContact OG1-OD1 2.9Å; T33-R36 PolarHBondContact N-O 3.2Å; T33-R36 CarbonylContact O-C 2.96Å; T33-R36 PolarHBondContact O-N 3.11Å; T33-H40 PolarHBondContact OG1-CE1 3.12Å; T33-K98 PolarHBondContact OG1-NZ 3.41Å |
| 34 | T | 91.4 | Very high | 95 | Very high | 157 Ų | 157 | 49.5 Ų | 49.5 | 96% | 0.963 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -36 | -179.5 | -41.4 | 0 | 0 | 0 | 0 | 113.1 | ||
| 35 | D | 89.8 | Confident | 95 | Very high | 114 Ų | 114 | 49.2 Ų | 49.2 | 61% | 0.61 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -23.3 | 176.7 | 65 | -51.4 | 0 | 0 | 0 | 113.7 | T33 | T33-D35 WeakPolarHBondContact CB-OD1 3.4Å; T33-D35 PolarHBondContact O-N 3.45Å; T33-D35 VanDerWaalsContact O-N 3.15Å; T33-D35 PolarHBondContact OG1-OD1 2.9Å |
| 36 | R | 92.2 | Very high | 95.1 | Very high | 80 Ų | 80 | 49.2 Ų | 49.2 | 30% | 0.302 | 27% | 0.266 | S | S | . | . | B | Isolated β-bridge | trans | -145.9 | 90.2 | -173.2 | -67.6 | 174.7 | -165.5 | -126.4 | -3.7 | 109.3 | G32 T33 Y38 | G32-R36 CarbonylContact C-O 3.56Å; G32-R36 VanDerWaalsContact CA-O 3.32Å; G32-R36 WeakPolarHBondContact CA-O 3.45Å; T33-R36 PolarHBondContact N-O 3.2Å; T33-R36 CarbonylContact O-C 2.96Å; T33-R36 PolarHBondContact O-N 3.11Å; R36-Y38 HydrophobicContact CB-CE1 4.04Å; R36-Y38 HydrophobicContact CB-CE2 4.35Å; R36-Y38 HydrophobicContact CG-CE1 4.26Å; R36-Y38 PolarHBondContact O-N 2.91Å |
| 37 | P | 95.6 | Very high | 95.2 | Very high | 112 Ų | 112 | 49.7 Ų | 49.7 | 73% | 0.727 | 27% | 0.269 | S | S | * | . | trans | -69.9 | -8.1 | -172.9 | 27.9 | -35.4 | 0 | 0 | 0 | 113.7 | ||||
| 38 | Y | 96.3 | Very high | 95.3 | Very high | 94 Ų | 94 | 50.5 Ų | 50.5 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -92.8 | 155.8 | 179.1 | 55.5 | -96.5 | 0 | 0 | 0 | 112.9 | R36 H40 N76 | R36-Y38 HydrophobicContact CB-CE1 4.04Å; R36-Y38 HydrophobicContact CB-CE2 4.35Å; R36-Y38 HydrophobicContact CG-CE1 4.26Å; R36-Y38 PolarHBondContact O-N 2.91Å; Y38-H40 HydrophobicContact CD2-CB 4.18Å; Y38-H40 HydrophobicContact CE2-CB 4.04Å; Y38-H40 PolarHBondContact O-N 3.37Å; Y38-H40 PolarHBondContact O-ND1 2.92Å; Y38-N76 HydrophobicContact CD2-CB 3.91Å; Y38-N76 VanDerWaalsContact CD2-ND2 3.3Å; Y38-N76 WeakPolarHBondContact CD2-ND2 3.44Å; Y38-N76 HydrophobicContact CE2-CB 3.81Å |
| 39 | S | 96.8 | Very high | 95.5 | Very high | 49 Ų | 49 | 49.2 Ų | 49.2 | 34% | 0.343 | 26% | 0.26 | S | S | . | . | trans | -62.3 | 130.7 | 174.7 | -44.2 | 0 | 0 | 0 | 0 | 112.5 | I29 D30 Y77 | I29-S39 WeakPolarHBondContact O-CA 3.26Å; D30-S39 WeakPolarHBondContact O-CB 3.39Å; D30-S39 PolarHBondContact O-OG 3.27Å; S39-Y77 PolarHBondContact O-N 3.42Å | ||
| 40 | H | 97 | Very high | 95.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 165.2 | -175.5 | 60 | -90.5 | 0 | 0 | 0 | 113 | I29 T33 Y38 V74 F75 Y77 K98 | I29-H40 CarbonylContact C-O 3.59Å; I29-H40 WeakPolarHBondContact CA-O 3.47Å; I29-H40 PolarHBondContact N-O 3.03Å; I29-H40 PolarHBondContact O-N 2.91Å; T33-H40 PolarHBondContact OG1-CE1 3.12Å; Y38-H40 HydrophobicContact CD2-CB 4.18Å; Y38-H40 HydrophobicContact CE2-CB 4.04Å; Y38-H40 PolarHBondContact O-N 3.37Å; Y38-H40 PolarHBondContact O-ND1 2.92Å; H40-V74 HydrophobicContact CB-CG1 4.03Å; H40-V74 VanDerWaalsContact CD2-CG1 3.45Å; H40-V74 WeakPolarHBondContact CD2-CG1 3.36Å; H40-F75 CarbonylContact C-O 3.58Å; H40-F75 WeakPolarHBondContact CA-O 3.14Å; H40-F75 WeakPolarHBondContact CB-O 3.16Å; H40-Y77 WeakPolarHBondContact O-CE1 3.46Å; H40-Y77 PolarHBondContact O-OH 3.48Å; H40-K98 PolarHBondContact NE2-NZ 3.39Å |
| 41 | A | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 141.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | I25 K27 V43 V74 F75 Y77 L80 | I25-A41 HydrophobicContact CG1-CB 4.42Å; I25-A41 HydrophobicContact CG2-CB 4.08Å; K27-A41 WeakPolarHBondContact O-CA 3.35Å; A41-V43 HydrophobicContact CB-CG1 4.02Å; A41-V74 CarbonylContact O-C 3.49Å; A41-V74 VanDerWaalsContact O-CA 3.31Å; A41-V74 WeakPolarHBondContact O-CA 3.27Å; A41-F75 PolarHBondContact N-O 2.92Å; A41-F75 PolarHBondContact O-N 2.87Å; A41-Y77 HydrophobicContact CB-CD1 4.38Å; A41-Y77 HydrophobicContact CB-CE1 3.65Å; A41-L80 HydrophobicContact CB-CD1 4.19Å |
| 42 | L | 96.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 121.5 | 158.9 | 179.1 | 60.1 | 0 | 0 | 0 | 108.4 | V26 K27 V72 V74 V96 N97 F101 | V26-L42 HydrophobicContact CB-CG 4.34Å; V26-L42 PolarHBondContact N-O 3.37Å; K27-L42 HydrophobicContact CB-CB 4.23Å; K27-L42 PolarHBondContact N-O 2.89Å; K27-L42 PolarHBondContact O-N 2.86Å; L42-V72 HydrophobicContact CD1-CG1 3.72Å; L42-V74 HydrophobicContact CD1-CG2 4.03Å; L42-V96 HydrophobicContact CD2-CG1 4.27Å; L42-V96 WeakPolarHBondContact CD2-O 3.43Å; L42-N97 VanDerWaalsContact CD2-C 3.5Å; L42-N97 WeakPolarHBondContact CD2-O 3.21Å; L42-F101 HydrophobicContact CD1-CE2 3.65Å; L42-F101 HydrophobicContact CD1-CZ 3.76Å |
| 43 | V | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 148.5 | 179.9 | -47.9 | 0 | 0 | 0 | 0 | 111.4 | V11 A23 V24 I25 A41 F71 V72 K73 F75 L80 | V11-V43 HydrophobicContact CG2-CG1 4.27Å; A23-V43 HydrophobicContact CB-CB 3.92Å; A23-V43 HydrophobicContact CB-CG2 3.81Å; V24-V43 VanDerWaalsContact O-CA 3.27Å; V24-V43 WeakPolarHBondContact O-CA 3.5Å; V24-V43 WeakPolarHBondContact O-CB 3.34Å; I25-V43 HydrophobicContact CG1-CG1 4.45Å; A41-V43 HydrophobicContact CB-CG1 4.02Å; V43-F71 HydrophobicContact CG2-CE2 4.13Å; V43-V72 WeakPolarHBondContact O-CA 3.43Å; V43-K73 WeakPolarHBondContact CG2-O 3.44Å; V43-K73 PolarHBondContact N-O 3.27Å; V43-K73 PolarHBondContact O-N 3.12Å; V43-F75 HydrophobicContact CG2-CD2 3.55Å; V43-F75 HydrophobicContact CG2-CE2 3.81Å; V43-L80 HydrophobicContact CG1-CD1 4.13Å |
| 44 | A | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.2 | 167 | 0 | 0 | 0 | 0 | 0 | 108.6 | A23 V24 V26 F71 V72 L91 A114 F118 | A23-A44 CarbonylContact C-O 3.59Å; A23-A44 WeakPolarHBondContact CA-O 3.36Å; V24-A44 PolarHBondContact N-O 3.06Å; V24-A44 PolarHBondContact O-N 3.44Å; V26-A44 HydrophobicContact CG2-CB 3.84Å; A44-F71 CarbonylContact C-O 3.58Å; A44-F71 WeakPolarHBondContact CA-O 3.46Å; A44-V72 HydrophobicContact CB-CG2 4.41Å; A44-L91 HydrophobicContact CB-CD1 3.85Å; A44-A114 HydrophobicContact CB-CB 4.26Å; A44-F118 HydrophobicContact CB-CZ 4.03Å |
| 45 | G | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 176.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | K22 A70 F71 | K22-G45 WeakPolarHBondContact O-CA 3.37Å; G45-A70 CarbonylContact O-C 3.57Å; G45-A70 VanDerWaalsContact O-CA 3.25Å; G45-A70 WeakPolarHBondContact O-CA 3.24Å; G45-F71 VanDerWaalsContact C-CD1 3.43Å; G45-F71 PolarHBondContact N-O 3.22Å; G45-F71 WeakPolarHBondContact O-CD1 3.27Å; G45-F71 PolarHBondContact O-N 3.33Å |
| 46 | I | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 110.9 | -174.4 | -60.7 | 172.1 | 0 | 0 | 0 | 110.3 | R21 K22 R48 Y49 I68 F118 F130 F131 | R21-I46 WeakPolarHBondContact CD-O 3.41Å; K22-I46 PolarHBondContact O-N 3.3Å; I46-R48 VanDerWaalsContact CG2-C 3.46Å; I46-R48 WeakPolarHBondContact CG2-O 3.48Å; I46-Y49 HydrophobicContact CB-CD1 4.16Å; I46-Y49 HydrophobicContact CB-CE1 3.88Å; I46-Y49 HydrophobicContact CD1-CD1 4.11Å; I46-Y49 HydrophobicContact CD1-CE1 3.95Å; I46-Y49 HydrophobicContact CG2-CD1 3.55Å; I46-Y49 HydrophobicContact CG2-CD2 4.17Å; I46-Y49 HydrophobicContact CG2-CE1 3.8Å; I46-Y49 HydrophobicContact CG2-CE2 4.38Å; I46-Y49 HydrophobicContact CG2-CG 3.75Å; I46-I68 HydrophobicContact CG1-CG2 4.25Å; I46-I68 HydrophobicContact CG2-CG2 4.03Å; I46-F118 HydrophobicContact CG1-CD2 3.92Å; I46-F118 HydrophobicContact CG1-CE2 4.1Å; I46-F130 HydrophobicContact CD1-CD1 3.86Å; I46-F130 HydrophobicContact CD1-CE1 3.5Å; I46-F130 HydrophobicContact CD1-CZ 3.95Å; I46-F130 HydrophobicContact CG1-CE1 4.05Å; I46-F130 HydrophobicContact CG1-CZ 4.13Å; I46-F131 HydrophobicContact CD1-CD1 3.68Å; I46-F131 HydrophobicContact CD1-CE1 4.04Å |
| 47 | D | 98.1 | Very high | 96.9 | Very high | 22 Ų | 22 | 57.2 Ų | 57.2 | 12% | 0.118 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | -42.3 | 172 | -178.6 | 24 | 0 | 0 | 0 | 110.7 | Y18 R21 K69 F71 | Y18-D47 HydrophobicContact CD1-CB 4.48Å; Y18-D47 HydrophobicContact CE1-CB 4.15Å; R21-D47 PolarHBondContact NH1-O 3.03Å; R21-D47 PolarHBondContact NH2-O 3.01Å; D47-K69 HydrophobicContact CB-CB 4.4Å; D47-K69 HydrophobicContact CB-CD 4.35Å; D47-K69 HydrophobicContact CB-CG 4.28Å; D47-K69 PolarHBondContact N-O 3.37Å; D47-K69 VanDerWaalsContact OD2-CD 3.26Å; D47-K69 WeakPolarHBondContact OD2-CD 3.35Å; D47-K69 WeakPolarHBondContact OD2-CE 3.37Å; D47-K69 IonicContact OD2-NZ 2.79Å; D47-K69 PolarHBondContact OD2-NZ 2.63Å; D47-F71 HydrophobicContact CB-CD1 4.02Å |
| 48 | R | 98 | Very high | 97 | Very high | 133 Ų | 133 | 54.3 Ų | 54.3 | 50% | 0.502 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 111.7 | 174.7 | -169.2 | 173.5 | 62.9 | -158 | -3.2 | 109.9 | I46 K69 | I46-R48 VanDerWaalsContact CG2-C 3.46Å; I46-R48 WeakPolarHBondContact CG2-O 3.48Å; R48-K69 HydrophobicContact CB-CB 3.55Å; R48-K69 PolarHBondContact N-O 3.18Å; R48-K69 VanDerWaalsContact N-O 3.09Å; R48-K69 PolarHBondContact O-N 3.4Å; R48-K69 VanDerWaalsContact O-N 3.12Å |
| 49 | Y | 98.1 | Very high | 97 | Very high | 18 Ų | 18 | 59 Ų | 59 | 7% | 0.071 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 149.3 | 177.1 | -69.8 | -81.7 | 0 | 0 | 0 | 112 | K22 I46 F130 F131 K133 | K22-Y49 WeakPolarHBondContact CB-OH 3.15Å; K22-Y49 WeakPolarHBondContact CG-OH 3.45Å; K22-Y49 PolarHBondContact N-OH 3.14Å; I46-Y49 HydrophobicContact CB-CD1 4.16Å; I46-Y49 HydrophobicContact CB-CE1 3.88Å; I46-Y49 HydrophobicContact CD1-CD1 4.11Å; I46-Y49 HydrophobicContact CD1-CE1 3.95Å; I46-Y49 HydrophobicContact CG2-CD1 3.55Å; I46-Y49 HydrophobicContact CG2-CD2 4.17Å; I46-Y49 HydrophobicContact CG2-CE1 3.8Å; I46-Y49 HydrophobicContact CG2-CE2 4.38Å; I46-Y49 HydrophobicContact CG2-CG 3.75Å; Y49-F130 WeakPolarHBondContact CE1-O 3.33Å; Y49-F131 WeakPolarHBondContact CD1-O 3.41Å; Y49-K133 HydrophobicContact CD2-CB 3.75Å; Y49-K133 HydrophobicContact CD2-CG 3.73Å; Y49-K133 HydrophobicContact CE2-CB 4.2Å; Y49-K133 HydrophobicContact CE2-CG 3.97Å; Y49-K133 HydrophobicContact CG-CB 3.97Å; Y49-K133 HydrophobicContact CG-CG 4.45Å |
| 50 | P | 97.6 | Very high | 97 | Very high | 14 Ų | 14 | 65.9 Ų | 65.9 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 147.4 | 168.2 | 30 | -32.2 | 0 | 0 | 0 | 109.4 | R65 I68 Y122 F131 | P50-R65 WeakPolarHBondContact CA-O 3.38Å; P50-I68 HydrophobicContact CB-CG1 4.24Å; P50-I68 HydrophobicContact CG-CD1 4.18Å; P50-I68 HydrophobicContact CG-CG1 4.24Å; P50-Y122 HydrophobicContact CB-CD1 4.19Å; P50-Y122 HydrophobicContact CB-CD2 4.48Å; P50-Y122 HydrophobicContact CB-CE1 3.73Å; P50-Y122 HydrophobicContact CB-CE2 4.04Å; P50-Y122 HydrophobicContact CG-CD1 4.33Å; P50-Y122 HydrophobicContact CG-CD2 3.82Å; P50-Y122 HydrophobicContact CG-CE1 4.12Å; P50-Y122 HydrophobicContact CG-CE2 3.56Å; P50-Y122 HydrophobicContact CG-CG 4.19Å; P50-F131 HydrophobicContact CG-CB 4.16Å |
| 51 | R | 96.4 | Very high | 97 | Very high | 155 Ų | 155 | 71.7 Ų | 71.7 | 59% | 0.585 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -92.4 | 150.3 | 179.3 | -56.3 | -179.2 | 179.8 | 178.3 | -2.5 | 109.9 | V53 R65 | R51-V53 PolarHBondContact O-N 3.24Å; R51-R65 HydrophobicContact CB-CB 4.16Å; R51-R65 HydrophobicContact CB-CG 4.3Å; R51-R65 VanDerWaalsContact CB-CZ 3.49Å; R51-R65 PolarHBondContact N-O 3.27Å |
| 52 | K | 94.6 | Very high | 97 | Very high | 168 Ų | 168 | 74.4 Ų | 74.4 | 73% | 0.73 | 36% | 0.362 | S | S | * | . | P | Polyproline II helix | trans | -49.4 | 129.9 | 175.1 | -176.3 | 178.1 | -179.1 | -178.7 | 0 | 110.7 | R65 | K52-R65 VanDerWaalsContact O-CZ 3.24Å; K52-R65 PolarHBondContact O-NE 2.83Å; K52-R65 PolarHBondContact O-NH2 2.97Å |
| 53 | V | 95 | Very high | 96.9 | Very high | 47 Ų | 47 | 77.1 Ų | 77.1 | 29% | 0.285 | 38% | 0.384 | S | S | . | . | trans | -104.4 | 143.1 | 174.3 | 175.1 | 0 | 0 | 0 | 0 | 108.3 | R51 I62 R65 | R51-V53 PolarHBondContact O-N 3.24Å; V53-I62 HydrophobicContact CG1-CB 4.39Å; V53-I62 HydrophobicContact CG1-CD1 3.96Å; V53-I62 HydrophobicContact CG1-CG1 3.71Å; V53-I62 HydrophobicContact CG1-CG2 4.1Å; V53-I62 HydrophobicContact CG2-CG2 4.36Å; V53-R65 HydrophobicContact CG2-CB 4.22Å | ||
| 54 | T | 96.1 | Very high | 96.9 | Very high | 57 Ų | 57 | 85.1 Ų | 85.1 | 35% | 0.35 | 42% | 0.419 | S | S | . | . | trans | -123.3 | 159.6 | 173.9 | 60.5 | 0 | 0 | 0 | 0 | 109.4 | I56 M57 | T54-I56 VanDerWaalsContact C-N 3.27Å; T54-I56 PolarHBondContact O-N 3.28Å; T54-M57 HydrophobicContact CG2-CE 4.24Å; T54-M57 WeakPolarHBondContact O-CB 3.3Å; T54-M57 PolarHBondContact O-N 3.35Å; T54-M57 WeakPolarHBondContact OG1-CE 3.4Å; T54-M57 WeakPolarHBondContact OG1-CG 3.44Å | ||
| 55 | T | 95.6 | Very high | 96.8 | Very high | 143 Ų | 143 | 88.1 Ų | 88.1 | 88% | 0.877 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -32.6 | -175.4 | 48.6 | 0 | 0 | 0 | 0 | 113.4 | M57 | T55-M57 PolarHBondContact O-N 2.92Š|
| 56 | I | 97.4 | Very high | 96.8 | Very high | 159 Ų | 159 | 89 Ų | 89 | 82% | 0.815 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -14.9 | -178.5 | -53.6 | 163.1 | 0 | 0 | 0 | 112.3 | T54 G58 | T54-I56 VanDerWaalsContact C-N 3.27Å; T54-I56 PolarHBondContact O-N 3.28Å; I56-G58 PolarHBondContact O-N 2.8Å |
| 57 | M | 97.5 | Very high | 96.7 | Very high | 30 Ų | 30 | 94.2 Ų | 94.2 | 15% | 0.148 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -75.1 | 131.1 | -175.7 | -61.2 | -166.5 | -170.2 | 0 | 0 | 112 | T54 T55 K61 I62 R65 | T54-M57 HydrophobicContact CG2-CE 4.24Å; T54-M57 WeakPolarHBondContact O-CB 3.3Å; T54-M57 PolarHBondContact O-N 3.35Å; T54-M57 WeakPolarHBondContact OG1-CE 3.4Å; T54-M57 WeakPolarHBondContact OG1-CG 3.44Å; T55-M57 PolarHBondContact O-N 2.92Å; M57-K61 HydrophobicContact CB-CB 4.44Å; M57-K61 HydrophobicContact CB-CD 4.36Å; M57-K61 HydrophobicContact CB-CG 4.5Å; M57-K61 HydrophobicContact CG-CD 4.18Å; M57-K61 HydrophobicContact SD-CD 4.13Å; M57-K61 HydrophobicContact SD-CG 4.12Å; M57-I62 HydrophobicContact CB-CD1 4.37Å; M57-I62 HydrophobicContact CB-CG1 3.77Å; M57-I62 VanDerWaalsContact O-CD1 3.25Å; M57-I62 WeakPolarHBondContact O-CD1 3.19Å; M57-R65 WeakPolarHBondContact SD-CD 3.33Å |
| 58 | G | 97.8 | Very high | 96.7 | Very high | 50 Ų | 50 | 93.3 Ų | 93.3 | 52% | 0.515 | 45% | 0.454 | S | S | . | . | trans | -65.3 | 155.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I56 K60 K61 I62 | I56-G58 PolarHBondContact O-N 2.8Å; G58-K60 VanDerWaalsContact C-N 3.28Å; G58-K60 PolarHBondContact O-N 2.87Å; G58-K60 VanDerWaalsContact O-N 3.12Å; G58-K61 WeakPolarHBondContact O-CB 3.26Å; G58-K61 PolarHBondContact O-N 2.89Å; G58-I62 PolarHBondContact O-N 3.09Å | ||
| 59 | K | 96.3 | Very high | 96.7 | Very high | 193 Ų | 193 | 90.7 Ų | 90.7 | 84% | 0.839 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -49.5 | -41.9 | -175.2 | -64.5 | -179.4 | -179.4 | 176.7 | 0 | 113.7 | K61 I62 A63 | K59-K61 PolarHBondContact O-N 2.79Å; K59-I62 PolarHBondContact O-N 2.65Å; K59-A63 WeakPolarHBondContact O-CB 3.17Å; K59-A63 PolarHBondContact O-N 2.88Å |
| 60 | K | 97.1 | Very high | 96.7 | Very high | 194 Ų | 194 | 90.1 Ų | 90.1 | 84% | 0.843 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -62.9 | -40.9 | 177.9 | -171.3 | 176.1 | -178.1 | 177 | 0 | 112.6 | G58 K64 | G58-K60 VanDerWaalsContact C-N 3.28Å; G58-K60 PolarHBondContact O-N 2.87Å; G58-K60 VanDerWaalsContact O-N 3.12Å; K60-K64 PolarHBondContact O-N 2.88Å; K60-K64 VanDerWaalsContact O-N 3.12Å |
| 61 | K | 97.4 | Very high | 96.7 | Very high | 122 Ų | 122 | 89.5 Ų | 89.5 | 53% | 0.53 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -70.7 | -41 | 178.3 | -170.4 | 172.1 | -176.4 | 173.1 | 0 | 110.7 | M57 G58 K59 K64 R65 | M57-K61 HydrophobicContact CB-CB 4.44Å; M57-K61 HydrophobicContact CB-CD 4.36Å; M57-K61 HydrophobicContact CB-CG 4.5Å; M57-K61 HydrophobicContact CG-CD 4.18Å; M57-K61 HydrophobicContact SD-CD 4.13Å; M57-K61 HydrophobicContact SD-CG 4.12Å; G58-K61 WeakPolarHBondContact O-CB 3.26Å; G58-K61 PolarHBondContact O-N 2.89Å; K59-K61 PolarHBondContact O-N 2.79Å; K61-K64 PolarHBondContact O-N 3.08Å; K61-R65 WeakPolarHBondContact O-CB 3.49Å; K61-R65 WeakPolarHBondContact O-CG 3.49Å; K61-R65 PolarHBondContact O-N 3.07Å |
| 62 | I | 96.2 | Very high | 96.7 | Very high | 57 Ų | 57 | 82.3 Ų | 82.3 | 29% | 0.292 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -57.5 | -53.4 | 173.3 | -63.2 | -177 | 0 | 0 | 0 | 110 | V53 M57 G58 K59 K64 R65 S66 | V53-I62 HydrophobicContact CG1-CB 4.39Å; V53-I62 HydrophobicContact CG1-CD1 3.96Å; V53-I62 HydrophobicContact CG1-CG1 3.71Å; V53-I62 HydrophobicContact CG1-CG2 4.1Å; V53-I62 HydrophobicContact CG2-CG2 4.36Å; M57-I62 HydrophobicContact CB-CD1 4.37Å; M57-I62 HydrophobicContact CB-CG1 3.77Å; M57-I62 VanDerWaalsContact O-CD1 3.25Å; M57-I62 WeakPolarHBondContact O-CD1 3.19Å; G58-I62 PolarHBondContact O-N 3.09Å; K59-I62 PolarHBondContact O-N 2.65Å; I62-K64 VanDerWaalsContact C-N 3.3Å; I62-K64 PolarHBondContact O-N 2.87Å; I62-R65 PolarHBondContact O-N 3.12Å; I62-S66 PolarHBondContact O-N 3.42Å; I62-S66 PolarHBondContact O-OG 2.85Å; I62-S66 VanDerWaalsContact O-OG 3.11Å |
| 63 | A | 95.3 | Very high | 96.8 | Very high | 58 Ų | 58 | 77.9 Ų | 77.9 | 48% | 0.479 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -56.8 | -42.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K59 K67 | K59-A63 WeakPolarHBondContact O-CB 3.17Å; K59-A63 PolarHBondContact O-N 2.88Å; A63-K67 WeakPolarHBondContact O-CG 3.25Å |
| 64 | K | 96.6 | Very high | 96.9 | Very high | 167 Ų | 167 | 76.3 Ų | 76.3 | 73% | 0.726 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.9 | -36.6 | 177.3 | -170 | 174.5 | -178.5 | 177.4 | 0 | 112.7 | K60 K61 I62 | K60-K64 PolarHBondContact O-N 2.88Å; K60-K64 VanDerWaalsContact O-N 3.12Å; K61-K64 PolarHBondContact O-N 3.08Å; I62-K64 VanDerWaalsContact C-N 3.3Å; I62-K64 PolarHBondContact O-N 2.87Å |
| 65 | R | 96.5 | Very high | 97 | Very high | 64 Ų | 64 | 74 Ų | 74 | 24% | 0.242 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -77.8 | -28.3 | -179.5 | -71.7 | -177.4 | 76.5 | 89.3 | -7.3 | 113.4 | P50 R51 K52 V53 M57 K61 I62 K67 | P50-R65 WeakPolarHBondContact CA-O 3.38Å; R51-R65 HydrophobicContact CB-CB 4.16Å; R51-R65 HydrophobicContact CB-CG 4.3Å; R51-R65 VanDerWaalsContact CB-CZ 3.49Å; R51-R65 PolarHBondContact N-O 3.27Å; K52-R65 VanDerWaalsContact O-CZ 3.24Å; K52-R65 PolarHBondContact O-NE 2.83Å; K52-R65 PolarHBondContact O-NH2 2.97Å; V53-R65 HydrophobicContact CG2-CB 4.22Å; M57-R65 WeakPolarHBondContact SD-CD 3.33Å; K61-R65 WeakPolarHBondContact O-CB 3.49Å; K61-R65 WeakPolarHBondContact O-CG 3.49Å; K61-R65 PolarHBondContact O-N 3.07Å; I62-R65 PolarHBondContact O-N 3.12Å; R65-K67 VanDerWaalsContact C-N 3.28Å; R65-K67 PolarHBondContact O-N 2.96Å |
| 66 | S | 96.4 | Very high | 97.1 | Very high | 19 Ų | 19 | 68.6 Ų | 68.6 | 13% | 0.133 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -5.9 | 176 | -59 | 0 | 0 | 0 | 0 | 113.8 | I62 I68 | I62-S66 PolarHBondContact O-N 3.42Å; I62-S66 PolarHBondContact O-OG 2.85Å; I62-S66 VanDerWaalsContact O-OG 3.11Å; S66-I68 PolarHBondContact O-N 3.12Å |
| 67 | K | 96.6 | Very high | 97.1 | Very high | 109 Ų | 109 | 62.8 Ų | 62.8 | 47% | 0.474 | 31% | 0.305 | S | S | . | . | trans | -66.1 | 127.1 | 177.7 | -77.9 | 179.8 | -177.4 | -175 | 0 | 111.5 | A63 R65 E119 | A63-K67 WeakPolarHBondContact O-CG 3.25Å; R65-K67 VanDerWaalsContact C-N 3.28Å; R65-K67 PolarHBondContact O-N 2.96Å; K67-E119 WeakPolarHBondContact CA-OE1 3.35Å | ||
| 68 | I | 97.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | trans | -104.4 | 146.4 | 177.7 | -60.3 | -177.2 | 0 | 0 | 0 | 109.2 | I46 P50 S66 K115 F118 E119 Y122 F131 | I46-I68 HydrophobicContact CG1-CG2 4.25Å; I46-I68 HydrophobicContact CG2-CG2 4.03Å; P50-I68 HydrophobicContact CB-CG1 4.24Å; P50-I68 HydrophobicContact CG-CD1 4.18Å; P50-I68 HydrophobicContact CG-CG1 4.24Å; S66-I68 PolarHBondContact O-N 3.12Å; I68-K115 WeakPolarHBondContact O-CD 3.47Å; I68-K115 WeakPolarHBondContact O-CE 3.41Å; I68-K115 WeakPolarHBondContact O-CG 3.36Å; I68-F118 HydrophobicContact CD1-CB 4.1Å; I68-F118 HydrophobicContact CG2-CB 4.29Å; I68-F118 HydrophobicContact CG2-CD2 4.43Å; I68-E119 HydrophobicContact CB-CG 3.91Å; I68-E119 HydrophobicContact CD1-CG 4.3Å; I68-E119 HydrophobicContact CG1-CG 4.01Å; I68-E119 PolarHBondContact N-OE1 3.44Å; I68-Y122 HydrophobicContact CD1-CG 4.43Å; I68-F131 HydrophobicContact CD1-CD1 3.77Å; I68-F131 HydrophobicContact CD1-CE1 3.8Å | ||
| 69 | K | 98 | Very high | 97.1 | Very high | 79 Ų | 79 | 69.2 Ų | 69.2 | 34% | 0.343 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 119.5 | 165.3 | -170.7 | -177.3 | 173.2 | -153.3 | 0 | 108 | D47 R48 | D47-K69 HydrophobicContact CB-CB 4.4Å; D47-K69 HydrophobicContact CB-CD 4.35Å; D47-K69 HydrophobicContact CB-CG 4.28Å; D47-K69 PolarHBondContact N-O 3.37Å; D47-K69 VanDerWaalsContact OD2-CD 3.26Å; D47-K69 WeakPolarHBondContact OD2-CD 3.35Å; D47-K69 WeakPolarHBondContact OD2-CE 3.37Å; D47-K69 IonicContact OD2-NZ 2.79Å; D47-K69 PolarHBondContact OD2-NZ 2.63Å; R48-K69 HydrophobicContact CB-CB 3.55Å; R48-K69 PolarHBondContact N-O 3.18Å; R48-K69 VanDerWaalsContact N-O 3.09Å; R48-K69 PolarHBondContact O-N 3.4Å; R48-K69 VanDerWaalsContact O-N 3.12Å |
| 70 | A | 97.9 | Very high | 97.2 | Very high | 6 Ų | 6 | 60.4 Ų | 60.4 | 5% | 0.05 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 157.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | G45 A114 K115 F118 | G45-A70 CarbonylContact O-C 3.57Å; G45-A70 VanDerWaalsContact O-CA 3.25Å; G45-A70 WeakPolarHBondContact O-CA 3.24Å; A70-A114 HydrophobicContact CB-CB 4Å; A70-K115 HydrophobicContact CB-CB 4.08Å; A70-F118 HydrophobicContact CB-CD2 4.05Å; A70-F118 HydrophobicContact CB-CE2 4.18Å |
| 71 | F | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 154.4 | 167 | 68.9 | -95.2 | 0 | 0 | 0 | 110.2 | V13 Y18 R21 A23 V43 A44 G45 D47 K73 F75 | V13-F71 HydrophobicContact CG2-CZ 4.29Å; Y18-F71 HydrophobicContact CD1-CB 4.41Å; Y18-F71 AromaticContact CD1-CD1 3.63Å; Y18-F71 HydrophobicContact CD1-CD1 3.63Å; Y18-F71 HydrophobicContact CD1-CD2 4.45Å; Y18-F71 AromaticContact CD1-CE1 3.9Å; Y18-F71 HydrophobicContact CD1-CE1 3.9Å; Y18-F71 AromaticContact CD1-CG 3.92Å; Y18-F71 HydrophobicContact CD1-CG 3.92Å; Y18-F71 HydrophobicContact CD1-CZ 4.43Å; Y18-F71 HydrophobicContact CD2-CD1 4.39Å; Y18-F71 AromaticContact CD2-CD2 3.76Å; Y18-F71 HydrophobicContact CD2-CD2 3.76Å; Y18-F71 AromaticContact CD2-CE2 3.96Å; Y18-F71 HydrophobicContact CD2-CE2 3.96Å; Y18-F71 AromaticContact CD2-CG 3.99Å; Y18-F71 HydrophobicContact CD2-CG 3.99Å; Y18-F71 HydrophobicContact CD2-CZ 4.34Å; Y18-F71 HydrophobicContact CE1-CB 3.77Å; Y18-F71 AromaticContact CE1-CD1 3.81Å; Y18-F71 HydrophobicContact CE1-CD1 3.81Å; Y18-F71 AromaticContact CE1-CG 3.79Å; Y18-F71 HydrophobicContact CE1-CG 3.79Å; Y18-F71 HydrophobicContact CE2-CB 3.96Å; Y18-F71 AromaticContact CE2-CD2 3.84Å; Y18-F71 HydrophobicContact CE2-CD2 3.84Å; Y18-F71 HydrophobicContact CE2-CE2 4.5Å; Y18-F71 AromaticContact CE2-CG 3.87Å; Y18-F71 HydrophobicContact CE2-CG 3.87Å; Y18-F71 AromaticContact CG-CD1 3.94Å; Y18-F71 HydrophobicContact CG-CD1 3.94Å; Y18-F71 HydrophobicContact CG-CD2 4.08Å; Y18-F71 AromaticContact CG-CE1 3.91Å; Y18-F71 HydrophobicContact CG-CE1 3.91Å; Y18-F71 HydrophobicContact CG-CE2 4.08Å; Y18-F71 HydrophobicContact CG-CG 4.02Å; Y18-F71 AromaticContact CG-CZ 3.98Å; Y18-F71 HydrophobicContact CG-CZ 3.98Å; Y18-F71 AromaticContact CZ-CG 3.77Å; R21-F71 HydrophobicContact CB-CE1 3.95Å; R21-F71 HydrophobicContact CB-CZ 4.27Å; R21-F71 HydrophobicContact CG-CE1 4.46Å; A23-F71 HydrophobicContact CB-CZ 4.19Å; V43-F71 HydrophobicContact CG2-CE2 4.13Å; A44-F71 CarbonylContact C-O 3.58Å; A44-F71 WeakPolarHBondContact CA-O 3.46Å; G45-F71 VanDerWaalsContact C-CD1 3.43Å; G45-F71 PolarHBondContact N-O 3.22Å; G45-F71 WeakPolarHBondContact O-CD1 3.27Å; G45-F71 PolarHBondContact O-N 3.33Å; D47-F71 HydrophobicContact CB-CD1 4.02Å; F71-K73 HydrophobicContact CD2-CB 4.29Å; F71-F75 HydrophobicContact CE2-CE2 4.07Å |
| 72 | V | 97.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 52.8 Ų | 52.8 | 2% | 0.024 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 128.1 | 171.9 | 179.1 | 0 | 0 | 0 | 0 | 106.9 | L42 V43 A44 V96 V100 F101 A110 R111 A114 | L42-V72 HydrophobicContact CD1-CG1 3.72Å; V43-V72 WeakPolarHBondContact O-CA 3.43Å; A44-V72 HydrophobicContact CB-CG2 4.41Å; V72-V96 HydrophobicContact CG1-CG1 3.86Å; V72-V96 HydrophobicContact CG2-CG1 4.26Å; V72-V100 HydrophobicContact CG1-CG2 4.46Å; V72-F101 HydrophobicContact CG1-CZ 4.07Å; V72-A110 HydrophobicContact CG2-CB 4.29Å; V72-R111 HydrophobicContact CG2-CG 4.25Å; V72-A114 HydrophobicContact CG2-CB 4.46Å |
| 73 | K | 96.9 | Very high | 97.3 | Very high | 74 Ų | 74 | 51.4 Ų | 51.4 | 32% | 0.322 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 150.9 | -177 | -174.3 | 166.6 | 174.9 | -172.8 | 0 | 111 | Y18 V43 F71 F75 | Y18-K73 HydrophobicContact CD2-CD 4.09Å; Y18-K73 HydrophobicContact CE2-CD 4.09Å; V43-K73 WeakPolarHBondContact CG2-O 3.44Å; V43-K73 PolarHBondContact N-O 3.27Å; V43-K73 PolarHBondContact O-N 3.12Å; F71-K73 HydrophobicContact CD2-CB 4.29Å; K73-F75 HydrophobicContact CB-CD2 4.18Å; K73-F75 HydrophobicContact CB-CE2 3.72Å; K73-F75 HydrophobicContact CB-CZ 4.41Å; K73-F75 HydrophobicContact CD-CD2 4.47Å; K73-F75 HydrophobicContact CD-CE1 4.14Å; K73-F75 HydrophobicContact CD-CE2 3.79Å; K73-F75 HydrophobicContact CD-CZ 3.6Å; K73-F75 HydrophobicContact CG-CD2 4.11Å; K73-F75 HydrophobicContact CG-CE2 3.78Å; K73-F75 HydrophobicContact CG-CZ 4.13Å |
| 74 | V | 96.5 | Very high | 97.3 | Very high | 15 Ų | 15 | 59.5 Ų | 59.5 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 128.9 | 166.5 | 180 | 0 | 0 | 0 | 0 | 109.4 | H40 A41 L42 F101 | H40-V74 HydrophobicContact CB-CG1 4.03Å; H40-V74 VanDerWaalsContact CD2-CG1 3.45Å; H40-V74 WeakPolarHBondContact CD2-CG1 3.36Å; A41-V74 CarbonylContact O-C 3.49Å; A41-V74 VanDerWaalsContact O-CA 3.31Å; A41-V74 WeakPolarHBondContact O-CA 3.27Å; L42-V74 HydrophobicContact CD1-CG2 4.03Å; V74-F101 HydrophobicContact CG2-CD2 4.15Å; V74-F101 HydrophobicContact CG2-CE2 3.51Å; V74-F101 HydrophobicContact CG2-CZ 4.03Å |
| 75 | F | 97.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 56.8 Ų | 56.8 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 141.2 | 174.4 | -75.6 | -86.2 | 0 | 0 | 0 | 111.2 | V13 Y18 H40 A41 V43 F71 K73 H79 L80 | V13-F75 HydrophobicContact CB-CZ 4.39Å; V13-F75 HydrophobicContact CG1-CD1 4.23Å; V13-F75 HydrophobicContact CG1-CE1 3.47Å; V13-F75 VanDerWaalsContact CG1-CE1 3.47Å; V13-F75 HydrophobicContact CG1-CE2 4.3Å; V13-F75 HydrophobicContact CG1-CZ 3.49Å; V13-F75 VanDerWaalsContact CG1-CZ 3.49Å; V13-F75 HydrophobicContact CG2-CD2 4.48Å; V13-F75 HydrophobicContact CG2-CE2 3.93Å; V13-F75 HydrophobicContact CG2-CZ 3.94Å; Y18-F75 HydrophobicContact CD2-CZ 4.18Å; H40-F75 CarbonylContact C-O 3.58Å; H40-F75 WeakPolarHBondContact CA-O 3.14Å; H40-F75 WeakPolarHBondContact CB-O 3.16Å; A41-F75 PolarHBondContact N-O 2.92Å; A41-F75 PolarHBondContact O-N 2.87Å; V43-F75 HydrophobicContact CG2-CD2 3.55Å; V43-F75 HydrophobicContact CG2-CE2 3.81Å; F71-F75 HydrophobicContact CE2-CE2 4.07Å; K73-F75 HydrophobicContact CB-CD2 4.18Å; K73-F75 HydrophobicContact CB-CE2 3.72Å; K73-F75 HydrophobicContact CB-CZ 4.41Å; K73-F75 HydrophobicContact CD-CD2 4.47Å; K73-F75 HydrophobicContact CD-CE1 4.14Å; K73-F75 HydrophobicContact CD-CE2 3.79Å; K73-F75 HydrophobicContact CD-CZ 3.6Å; K73-F75 HydrophobicContact CG-CD2 4.11Å; K73-F75 HydrophobicContact CG-CE2 3.78Å; K73-F75 HydrophobicContact CG-CZ 4.13Å; F75-H79 HydrophobicContact CD1-CB 4.15Å; F75-L80 HydrophobicContact CB-CD1 4.01Å; F75-L80 HydrophobicContact CB-CD2 3.85Å; F75-L80 HydrophobicContact CB-CG 3.85Å; F75-L80 HydrophobicContact CD2-CD2 4.28Å; F75-L80 HydrophobicContact CG-CD2 4.05Å |
| 76 | N | 97.6 | Very high | 97.3 | Very high | 31 Ų | 31 | 57.2 Ų | 57.2 | 17% | 0.166 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 144.3 | 161.4 | -175.7 | -40.5 | 0 | 0 | 0 | 109.2 | Y38 N78 H79 | Y38-N76 HydrophobicContact CD2-CB 3.91Å; Y38-N76 VanDerWaalsContact CD2-ND2 3.3Å; Y38-N76 WeakPolarHBondContact CD2-ND2 3.44Å; Y38-N76 HydrophobicContact CE2-CB 3.81Å; N76-N78 PolarHBondContact O-N 2.88Å; N76-N78 PolarHBondContact OD1-N 3.19Å; N76-H79 PolarHBondContact O-N 3.46Å |
| 77 | Y | 97.4 | Very high | 97.1 | Very high | 37 Ų | 37 | 56.5 Ų | 56.5 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -57.8 | -34.3 | 176.7 | -73.3 | -0.8 | 0 | 0 | 0 | 113.8 | M5 N28 I29 D30 S39 H40 A41 H79 L80 | M5-Y77 HydrophobicContact CB-CE2 4.23Å; M5-Y77 HydrophobicContact CE-CD1 3.69Å; M5-Y77 HydrophobicContact CE-CD2 4.49Å; M5-Y77 HydrophobicContact CE-CE1 3.88Å; M5-Y77 HydrophobicContact CE-CG 4.04Å; M5-Y77 HydrophobicContact CG-CE2 4.38Å; N28-Y77 WeakPolarHBondContact CB-OH 3.09Å; I29-Y77 PolarHBondContact N-OH 3.01Å; D30-Y77 PolarHBondContact OD1-OH 3.37Å; S39-Y77 PolarHBondContact O-N 3.42Å; H40-Y77 WeakPolarHBondContact O-CE1 3.46Å; H40-Y77 PolarHBondContact O-OH 3.48Å; A41-Y77 HydrophobicContact CB-CD1 4.38Å; A41-Y77 HydrophobicContact CB-CE1 3.65Å; Y77-H79 PolarHBondContact O-N 2.95Å; Y77-H79 VanDerWaalsContact O-N 3.11Å; Y77-L80 HydrophobicContact CD1-CD1 4.39Å; Y77-L80 PolarHBondContact O-N 3.47Å |
| 78 | N | 97.4 | Very high | 96.6 | Very high | 133 Ų | 133 | 57.3 Ų | 57.3 | 71% | 0.711 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -62.5 | -22.4 | 176.9 | -63.6 | -11.4 | 0 | 0 | 0 | 112.4 | N76 L80 | N76-N78 PolarHBondContact O-N 2.88Å; N76-N78 PolarHBondContact OD1-N 3.19Å; N78-L80 VanDerWaalsContact C-N 3.34Å |
| 79 | H | 98.1 | Very high | 96.2 | Very high | 82 Ų | 82 | 58 Ų | 58 | 38% | 0.38 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -92.6 | 7.1 | 176.3 | -55.7 | 151.7 | 0 | 0 | 0 | 113.2 | L14 A15 F75 N76 Y77 | L14-H79 PolarHBondContact N-O 3.19Å; A15-H79 HydrophobicContact CB-CB 4.19Å; F75-H79 HydrophobicContact CD1-CB 4.15Å; N76-H79 PolarHBondContact O-N 3.46Å; Y77-H79 PolarHBondContact O-N 2.95Å; Y77-H79 VanDerWaalsContact O-N 3.11Å |
| 80 | L | 98 | Very high | 95.7 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.8 | -180 | -63.6 | 178.8 | 0 | 0 | 0 | 110 | M5 V11 M12 V13 A41 V43 F75 Y77 N78 P82 | M5-L80 HydrophobicContact CE-CB 4.32Å; M5-L80 HydrophobicContact CE-CD1 4.04Å; V11-L80 HydrophobicContact CB-CB 4.41Å; V11-L80 HydrophobicContact CB-CD2 4.4Å; V11-L80 HydrophobicContact CG2-CD1 4.33Å; V11-L80 HydrophobicContact CG2-CD2 3.94Å; M12-L80 CarbonylContact O-C 3.53Å; M12-L80 WeakPolarHBondContact O-CA 3.31Å; V13-L80 HydrophobicContact CG2-CD2 4.05Å; A41-L80 HydrophobicContact CB-CD1 4.19Å; V43-L80 HydrophobicContact CG1-CD1 4.13Å; F75-L80 HydrophobicContact CB-CD1 4.01Å; F75-L80 HydrophobicContact CB-CD2 3.85Å; F75-L80 HydrophobicContact CB-CG 3.85Å; F75-L80 HydrophobicContact CD2-CD2 4.28Å; F75-L80 HydrophobicContact CG-CD2 4.05Å; Y77-L80 HydrophobicContact CD1-CD1 4.39Å; Y77-L80 PolarHBondContact O-N 3.47Å; N78-L80 VanDerWaalsContact C-N 3.34Å; L80-P82 WeakPolarHBondContact O-CD 2.96Å |
| 81 | M | 97.9 | Very high | 95.3 | Very high | 94 Ų | 94 | 59.5 Ų | 59.5 | 46% | 0.463 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 116.4 | 166.8 | -173.7 | -177 | -173.7 | 0 | 0 | 108.9 | V11 M12 L14 | V11-M81 CarbonylContact C-O 3.56Å; V11-M81 WeakPolarHBondContact CA-O 3.41Å; M12-M81 HydrophobicContact CB-CB 4.28Å; M12-M81 HydrophobicContact CE-SD 3.79Å; M12-M81 PolarHBondContact N-O 3.04Å; M12-M81 PolarHBondContact O-N 3.11Å; L14-M81 HydrophobicContact CD1-CB 4.1Å; L14-M81 HydrophobicContact CD2-CB 3.9Å; L14-M81 HydrophobicContact CG-CB 4.04Å |
| 82 | P | 97.3 | Very high | 94.8 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 40% | 0.396 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 146.4 | 174.3 | 29 | -34.8 | 0 | 0 | 0 | 110.4 | F4 M5 L80 | F4-P82 HydrophobicContact CD2-CB 4.17Å; F4-P82 HydrophobicContact CE2-CB 3.91Å; F4-P82 HydrophobicContact CE2-CG 3.89Å; M5-P82 HydrophobicContact SD-CB 3.95Å; L80-P82 WeakPolarHBondContact O-CD 2.96Å |
| 83 | T | 97.6 | Very high | 94.3 | Very high | 28 Ų | 28 | 69.8 Ų | 69.8 | 17% | 0.172 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 160.8 | 175 | 79 | 0 | 0 | 0 | 0 | 110.5 | V10 M12 Y85 W129 | V10-T83 WeakPolarHBondContact O-CB 3.43Å; V10-T83 PolarHBondContact O-N 3.33Å; V10-T83 PolarHBondContact O-OG1 2.9Å; M12-T83 HydrophobicContact CG-CG2 3.92Å; T83-Y85 PolarHBondContact O-N 2.9Å; T83-Y85 PolarHBondContact OG1-N 3.2Å; T83-W129 HydrophobicContact CG2-CH2 3.98Å; T83-W129 HydrophobicContact CG2-CZ3 4.45Å |
| 84 | R | 96.9 | Very high | 93.9 | Very high | 229 Ų | 229 | 71 Ų | 71 | 86% | 0.864 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.5 | -30.5 | 173.1 | 175.1 | 178.5 | -71.1 | 166.6 | -2.1 | 112.5 | ||
| 85 | Y | 97.3 | Very high | 93.5 | Very high | 110 Ų | 110 | 71.5 Ų | 71.5 | 43% | 0.431 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 143.1 | -168.7 | -59 | -74.7 | 0 | 0 | 0 | 112.5 | V10 T83 W129 | V10-Y85 WeakPolarHBondContact CB-O 3.28Å; V10-Y85 PolarHBondContact N-O 2.72Å; T83-Y85 PolarHBondContact O-N 2.9Å; T83-Y85 PolarHBondContact OG1-N 3.2Å; Y85-W129 AromaticContact CD2-CD2 3.68Å; Y85-W129 HydrophobicContact CD2-CD2 3.68Å; Y85-W129 AromaticContact CD2-CE3 3.42Å; Y85-W129 HydrophobicContact CD2-CE3 3.42Å; Y85-W129 VanDerWaalsContact CD2-CE3 3.42Å; Y85-W129 HydrophobicContact CD2-CG 4.39Å; Y85-W129 HydrophobicContact CD2-CH2 4Å; Y85-W129 HydrophobicContact CD2-CZ2 4.22Å; Y85-W129 AromaticContact CD2-CZ3 3.59Å; Y85-W129 HydrophobicContact CD2-CZ3 3.59Å; Y85-W129 AromaticContact CE2-CD2 3.46Å; Y85-W129 HydrophobicContact CE2-CD2 3.46Å; Y85-W129 VanDerWaalsContact CE2-CD2 3.46Å; Y85-W129 AromaticContact CE2-CE2 3.55Å; Y85-W129 AromaticContact CE2-CE3 3.74Å; Y85-W129 HydrophobicContact CE2-CE3 3.74Å; Y85-W129 AromaticContact CE2-CG 3.89Å; Y85-W129 HydrophobicContact CE2-CG 3.89Å; Y85-W129 HydrophobicContact CE2-CH2 4.2Å; Y85-W129 AromaticContact CE2-CZ2 3.94Å; Y85-W129 HydrophobicContact CE2-CZ2 3.94Å; Y85-W129 HydrophobicContact CE2-CZ3 4.09Å; Y85-W129 AromaticContact CE2-NE1 3.94Å; Y85-W129 HydrophobicContact CG-CD2 4.42Å; Y85-W129 HydrophobicContact CG-CE3 4.01Å; Y85-W129 HydrophobicContact CG-CZ3 4.4Å; Y85-W129 AromaticContact CZ-CG 3.97Å |
| 86 | S | 95.4 | Very high | 93.2 | Very high | 72 Ų | 72 | 71.3 Ų | 71.3 | 50% | 0.503 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 151.5 | 165.3 | 51.2 | 0 | 0 | 0 | 0 | 109.7 | G8 N127 | G8-S86 WeakPolarHBondContact O-CA 3.35Å; S86-N127 PolarHBondContact O-ND2 2.88Å |
| 87 | V | 92.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.024 | 37% | 0.366 | C | S | . | . | trans | -134.5 | 114.9 | 176.1 | 173.6 | 0 | 0 | 0 | 0 | 106.9 | G8 V10 V24 I89 N127 F130 | G8-V87 PolarHBondContact O-N 2.9Å; V10-V87 HydrophobicContact CG2-CB 3.99Å; V10-V87 HydrophobicContact CG2-CG2 3.31Å; V24-V87 HydrophobicContact CG2-CB 4.04Å; V24-V87 HydrophobicContact CG2-CG1 4.38Å; V87-I89 HydrophobicContact CG1-CB 4.28Å; V87-I89 HydrophobicContact CG1-CD1 3.24Å; V87-I89 HydrophobicContact CG1-CG1 3.42Å; V87-I89 VanDerWaalsContact CG1-CG1 3.42Å; V87-I89 PolarHBondContact O-N 2.8Å; V87-N127 HydrophobicContact CG2-CB 4.09Å; V87-F130 HydrophobicContact CG2-CB 4.02Å; V87-F130 HydrophobicContact CG2-CD1 4.5Å; V87-F130 HydrophobicContact CG2-CD2 4.35Å; V87-F130 HydrophobicContact CG2-CG 4.05Å | ||
| 88 | D | 86.5 | Confident | 92.4 | Very high | 126 Ų | 126 | 72.7 Ų | 72.7 | 67% | 0.674 | 37% | 0.369 | S | S | * | . | trans | -86.4 | 92.4 | 172.7 | -175.2 | 26.1 | 0 | 0 | 0 | 109.1 | R121 | D88-R121 PolarHBondContact O-NH1 2.85Š| ||
| 89 | I | 89.1 | Confident | 92 | Very high | 18 Ų | 18 | 69.6 Ų | 69.6 | 9% | 0.092 | 35% | 0.353 | C | S | . | . | trans | -119.6 | 117.7 | 171.6 | -71 | 167.4 | 0 | 0 | 0 | 106.5 | V87 L91 K117 F118 R121 | V87-I89 HydrophobicContact CG1-CB 4.28Å; V87-I89 HydrophobicContact CG1-CD1 3.24Å; V87-I89 HydrophobicContact CG1-CG1 3.42Å; V87-I89 VanDerWaalsContact CG1-CG1 3.42Å; V87-I89 PolarHBondContact O-N 2.8Å; I89-L91 HydrophobicContact CG2-CD2 4.16Å; I89-L91 HydrophobicContact CG2-CG 4.14Å; I89-L91 PolarHBondContact O-N 2.98Å; I89-K117 HydrophobicContact CG2-CB 3.65Å; I89-F118 HydrophobicContact CD1-CD1 3.65Å; I89-F118 HydrophobicContact CD1-CE1 3.83Å; I89-F118 HydrophobicContact CG2-CD1 4.43Å; I89-R121 HydrophobicContact CD1-CB 4Å; I89-R121 HydrophobicContact CD1-CG 3.95Å; I89-R121 HydrophobicContact CG1-CB 4.02Å; I89-R121 HydrophobicContact CG1-CG 3.86Å | ||
| 90 | P | 87.8 | Confident | 91.7 | Very high | 94 Ų | 94 | 65.9 Ų | 65.9 | 61% | 0.61 | 34% | 0.336 | S | S | * | . | trans | -70.9 | 98.1 | 177.1 | 28.9 | -32.9 | 0 | 0 | 0 | 108.5 | ||||
| 91 | L | 88.8 | Confident | 91.3 | Very high | 22 Ų | 22 | 68.9 Ų | 68.9 | 12% | 0.115 | 35% | 0.349 | C | S | . | . | trans | -92.9 | 131.6 | 168.3 | -67 | 172.3 | 0 | 0 | 0 | 108.1 | V26 A44 I89 K93 A114 K117 | V26-L91 HydrophobicContact CG2-CD1 3.68Å; A44-L91 HydrophobicContact CB-CD1 3.85Å; I89-L91 HydrophobicContact CG2-CD2 4.16Å; I89-L91 HydrophobicContact CG2-CG 4.14Å; I89-L91 PolarHBondContact O-N 2.98Å; L91-K93 PolarHBondContact O-N 3.37Å; L91-K93 VanDerWaalsContact O-N 3.12Å; L91-A114 HydrophobicContact CD2-CB 4.26Å; L91-K117 HydrophobicContact CD2-CB 4.06Å; L91-K117 HydrophobicContact CD2-CG 4.22Å | ||
| 92 | D | 87.7 | Confident | 91 | Very high | 72 Ų | 72 | 74.2 Ų | 74.2 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | trans | -68.2 | 109.9 | 176 | -172.9 | -12 | 0 | 0 | 0 | 108.9 | T94 V95 V96 E113 | D92-T94 PolarHBondContact O-N 2.95Å; D92-T94 VanDerWaalsContact OD1-CB 3.3Å; D92-T94 WeakPolarHBondContact OD1-CB 3.32Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.41Å; D92-T94 PolarHBondContact OD1-N 2.92Å; D92-T94 PolarHBondContact OD1-OG1 2.84Å; D92-T94 PolarHBondContact OD2-OG1 2.79Å; D92-T94 VanDerWaalsContact OD2-OG1 3.06Å; D92-V95 HydrophobicContact CB-CB 4.37Å; D92-V95 HydrophobicContact CB-CG2 4.45Å; D92-V95 PolarHBondContact O-N 3.29Å; D92-V95 VanDerWaalsContact O-N 3.15Å; D92-V96 PolarHBondContact O-N 3.47Å; D92-E113 WeakPolarHBondContact CA-OE1 3.32Å; D92-E113 WeakPolarHBondContact CB-OE1 3.45Å; D92-E113 PolarHBondContact N-OE1 3.02Å | ||
| 93 | K | 86.9 | Confident | 90.8 | Very high | 149 Ų | 149 | 74.6 Ų | 74.6 | 65% | 0.648 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -17.9 | -179.7 | -63.4 | 178.5 | -176.3 | 172.9 | 0 | 112.1 | L91 N97 | L91-K93 PolarHBondContact O-N 3.37Å; L91-K93 VanDerWaalsContact O-N 3.12Å; K93-N97 WeakPolarHBondContact O-CB 3.31Å |
| 94 | T | 87.4 | Confident | 90.6 | Very high | 100 Ų | 100 | 77.7 Ų | 77.7 | 61% | 0.613 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -32.7 | 175.1 | 72.6 | 0 | 0 | 0 | 0 | 111.2 | D92 N97 | D92-T94 PolarHBondContact O-N 2.95Å; D92-T94 VanDerWaalsContact OD1-CB 3.3Å; D92-T94 WeakPolarHBondContact OD1-CB 3.32Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.41Å; D92-T94 PolarHBondContact OD1-N 2.92Å; D92-T94 PolarHBondContact OD1-OG1 2.84Å; D92-T94 PolarHBondContact OD2-OG1 2.79Å; D92-T94 VanDerWaalsContact OD2-OG1 3.06Å; T94-N97 PolarHBondContact O-ND2 2.85Å |
| 95 | V | 88.3 | Confident | 90.6 | Very high | 25 Ų | 25 | 69.1 Ų | 69.1 | 15% | 0.152 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | -34.4 | -178.4 | 177.6 | 0 | 0 | 0 | 0 | 111.6 | D92 V100 K109 A110 E113 | D92-V95 HydrophobicContact CB-CB 4.37Å; D92-V95 HydrophobicContact CB-CG2 4.45Å; D92-V95 PolarHBondContact O-N 3.29Å; D92-V95 VanDerWaalsContact O-N 3.15Å; V95-V100 WeakPolarHBondContact O-CG1 3.31Å; V95-K109 HydrophobicContact CG1-CD 4.28Å; V95-K109 HydrophobicContact CG1-CG 3.98Å; V95-A110 WeakPolarHBondContact O-CB 3.45Å; V95-E113 WeakPolarHBondContact CB-OE2 3.23Å; V95-E113 HydrophobicContact CG1-CB 4.37Å; V95-E113 WeakPolarHBondContact CG1-OE2 3.38Å |
| 96 | V | 90.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 67.7 Ų | 67.7 | 2% | 0.018 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -100.7 | 74.3 | 173.5 | -167.4 | 0 | 0 | 0 | 0 | 110.3 | V26 L42 V72 D92 A110 E113 | V26-V96 HydrophobicContact CB-CG1 4.47Å; V26-V96 HydrophobicContact CG1-CB 4.31Å; V26-V96 HydrophobicContact CG1-CG1 4.07Å; V26-V96 HydrophobicContact CG2-CG1 4.09Å; L42-V96 HydrophobicContact CD2-CG1 4.27Å; L42-V96 WeakPolarHBondContact CD2-O 3.43Å; V72-V96 HydrophobicContact CG1-CG1 3.86Å; V72-V96 HydrophobicContact CG2-CG1 4.26Å; D92-V96 PolarHBondContact O-N 3.47Å; V96-A110 HydrophobicContact CG2-CB 4.33Å; V96-E113 VanDerWaalsContact CG2-OE2 3.31Å; V96-E113 WeakPolarHBondContact CG2-OE2 3.3Å |
| 97 | N | 92.1 | Very high | 90.4 | Very high | 46 Ų | 46 | 68.2 Ų | 68.2 | 25% | 0.246 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -118 | -174.3 | 179.1 | 68.8 | 34 | 0 | 0 | 0 | 112.4 | L42 K93 T94 D99 V100 | L42-N97 VanDerWaalsContact CD2-C 3.5Å; L42-N97 WeakPolarHBondContact CD2-O 3.21Å; K93-N97 WeakPolarHBondContact O-CB 3.31Å; T94-N97 PolarHBondContact O-ND2 2.85Å; N97-D99 WeakPolarHBondContact OD1-CA 3.44Å; N97-D99 WeakPolarHBondContact OD1-CB 3.2Å; N97-D99 PolarHBondContact OD1-N 3.02Å; N97-V100 WeakPolarHBondContact O-CG1 3.5Å; N97-V100 WeakPolarHBondContact O-CG2 3.38Å; N97-V100 WeakPolarHBondContact OD1-CG1 3.35Å; N97-V100 PolarHBondContact OD1-N 3.03Å; N97-V100 VanDerWaalsContact OD1-N 3.07Å |
| 98 | K | 88 | Confident | 90.6 | Very high | 50 Ų | 50 | 75.9 Ų | 75.9 | 22% | 0.217 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -74.3 | -29.6 | 176.9 | -76 | -169.7 | 170.6 | -166 | 0 | 112.9 | T33 H40 V100 F101 | T33-K98 PolarHBondContact OG1-NZ 3.41Å; H40-K98 PolarHBondContact NE2-NZ 3.39Å; K98-V100 PolarHBondContact O-N 3.41Å; K98-F101 VanDerWaalsContact O-CD2 3.23Å; K98-F101 WeakPolarHBondContact O-CD2 3.36Å; K98-F101 PolarHBondContact O-N 3.12Å |
| 99 | D | 88.2 | Confident | 91 | Very high | 69 Ų | 69 | 76 Ų | 76 | 37% | 0.369 | 38% | 0.377 | S | S | . | . | G | 310 helix | trans | -73.2 | -14.8 | -176 | -54.9 | -56.2 | 0 | 0 | 0 | 113.1 | N97 F101 R102 | N97-D99 WeakPolarHBondContact OD1-CA 3.44Å; N97-D99 WeakPolarHBondContact OD1-CB 3.2Å; N97-D99 PolarHBondContact OD1-N 3.02Å; D99-F101 PolarHBondContact O-N 2.62Å; D99-R102 WeakPolarHBondContact O-CB 3.19Å; D99-R102 PolarHBondContact O-N 3.15Å; D99-R102 IonicContact OD1-CZ 2.72Å; D99-R102 VanDerWaalsContact OD1-CZ 3.23Å; D99-R102 IonicContact OD1-NE 3.95Å; D99-R102 PolarHBondContact OD1-NE 2.83Å; D99-R102 IonicContact OD1-NH2 3.12Å; D99-R102 PolarHBondContact OD1-NH2 3.47Å |
| 100 | V | 91.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.018 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -56 | -18.3 | 173.2 | -50.5 | 0 | 0 | 0 | 0 | 113.8 | V72 V95 N97 K98 L106 K107 A110 | V72-V100 HydrophobicContact CG1-CG2 4.46Å; V95-V100 WeakPolarHBondContact O-CG1 3.31Å; N97-V100 WeakPolarHBondContact O-CG1 3.5Å; N97-V100 WeakPolarHBondContact O-CG2 3.38Å; N97-V100 WeakPolarHBondContact OD1-CG1 3.35Å; N97-V100 PolarHBondContact OD1-N 3.03Å; N97-V100 VanDerWaalsContact OD1-N 3.07Å; K98-V100 PolarHBondContact O-N 3.41Å; V100-L106 HydrophobicContact CB-CB 4.46Å; V100-K107 WeakPolarHBondContact O-CB 3.25Å; V100-K107 PolarHBondContact O-N 2.92Å; V100-A110 HydrophobicContact CB-CB 4.37Å; V100-A110 HydrophobicContact CG1-CB 4.02Å |
| 101 | F | 89.6 | Confident | 91.8 | Very high | 72 Ų | 72 | 74.9 Ų | 74.9 | 32% | 0.316 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -86.1 | -8.9 | 179.4 | -59.7 | -71.1 | 0 | 0 | 0 | 113.9 | L42 V72 V74 K98 D99 K107 | L42-F101 HydrophobicContact CD1-CE2 3.65Å; L42-F101 HydrophobicContact CD1-CZ 3.76Å; V72-F101 HydrophobicContact CG1-CZ 4.07Å; V74-F101 HydrophobicContact CG2-CD2 4.15Å; V74-F101 HydrophobicContact CG2-CE2 3.51Å; V74-F101 HydrophobicContact CG2-CZ 4.03Å; K98-F101 VanDerWaalsContact O-CD2 3.23Å; K98-F101 WeakPolarHBondContact O-CD2 3.36Å; K98-F101 PolarHBondContact O-N 3.12Å; D99-F101 PolarHBondContact O-N 2.62Å; F101-K107 HydrophobicContact CD1-CD 4.33Å |
| 102 | R | 91 | Very high | 92.2 | Very high | 205 Ų | 205 | 83 Ų | 83 | 77% | 0.774 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -34 | 176.9 | -58.6 | -176.1 | -165.7 | -168.2 | 8.4 | 112.4 | D99 | D99-R102 WeakPolarHBondContact O-CB 3.19Å; D99-R102 PolarHBondContact O-N 3.15Å; D99-R102 IonicContact OD1-CZ 2.72Å; D99-R102 VanDerWaalsContact OD1-CZ 3.23Å; D99-R102 IonicContact OD1-NE 3.95Å; D99-R102 PolarHBondContact OD1-NE 2.83Å; D99-R102 IonicContact OD1-NH2 3.12Å; D99-R102 PolarHBondContact OD1-NH2 3.47Å |
| 103 | D | 93.7 | Very high | 92.6 | Very high | 70 Ų | 70 | 81.1 Ų | 81.1 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | trans | -125.8 | 124.9 | -177.9 | 177.3 | 1.2 | 0 | 0 | 0 | 111.7 | A105 L106 K107 | D103-A105 PolarHBondContact O-N 2.9Å; D103-A105 WeakPolarHBondContact OD1-CB 3.37Å; D103-A105 PolarHBondContact OD1-N 2.9Å; D103-L106 HydrophobicContact CB-CB 4.28Å; D103-L106 HydrophobicContact CB-CD1 4Å; D103-L106 HydrophobicContact CB-CG 3.93Å; D103-L106 PolarHBondContact O-N 2.85Å; D103-K107 PolarHBondContact O-N 2.92Å; D103-K107 VanDerWaalsContact O-N 3.07Å | ||
| 104 | P | 94.6 | Very high | 93 | Very high | 93 Ų | 93 | 74 Ų | 74 | 60% | 0.604 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -51.6 | -33.3 | 172 | -27.1 | 35.2 | 0 | 0 | 0 | 115.4 | R108 | P104-R108 PolarHBondContact O-N 3.02Å |
| 105 | A | 95.4 | Very high | 93.5 | Very high | 49 Ų | 49 | 72.8 Ų | 72.8 | 41% | 0.405 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.4 | -45.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | D103 K107 R108 K109 | D103-A105 PolarHBondContact O-N 2.9Å; D103-A105 WeakPolarHBondContact OD1-CB 3.37Å; D103-A105 PolarHBondContact OD1-N 2.9Å; A105-K107 VanDerWaalsContact C-N 3.33Å; A105-K107 PolarHBondContact O-N 2.79Å; A105-R108 WeakPolarHBondContact O-CB 3.34Å; A105-R108 PolarHBondContact O-N 2.96Å; A105-K109 PolarHBondContact O-N 3.04Å |
| 106 | L | 95.1 | Very high | 93.9 | Very high | 80 Ų | 80 | 74.4 Ų | 74.4 | 42% | 0.419 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 173.7 | -63.5 | -179.1 | 0 | 0 | 0 | 111.3 | V100 D103 R108 K109 A110 | V100-L106 HydrophobicContact CB-CB 4.46Å; D103-L106 HydrophobicContact CB-CB 4.28Å; D103-L106 HydrophobicContact CB-CD1 4Å; D103-L106 HydrophobicContact CB-CG 3.93Å; D103-L106 PolarHBondContact O-N 2.85Å; L106-R108 PolarHBondContact O-N 3.33Å; L106-K109 WeakPolarHBondContact O-CB 3.36Å; L106-K109 PolarHBondContact O-N 3.29Å; L106-K109 VanDerWaalsContact O-N 3.1Å; L106-A110 PolarHBondContact O-N 2.87Å |
| 107 | K | 94.6 | Very high | 94.1 | Very high | 82 Ų | 82 | 77.3 Ų | 77.3 | 36% | 0.357 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.8 | -32.5 | 174.6 | -163.5 | 172.7 | -176.4 | 174.1 | 0 | 113.1 | V100 F101 D103 A105 R111 | V100-K107 WeakPolarHBondContact O-CB 3.25Å; V100-K107 PolarHBondContact O-N 2.92Å; F101-K107 HydrophobicContact CD1-CD 4.33Å; D103-K107 PolarHBondContact O-N 2.92Å; D103-K107 VanDerWaalsContact O-N 3.07Å; A105-K107 VanDerWaalsContact C-N 3.33Å; A105-K107 PolarHBondContact O-N 2.79Å; K107-R111 WeakPolarHBondContact O-CG 3.31Å; K107-R111 PolarHBondContact O-N 3.42Å; K107-R111 PolarHBondContact O-NE 3.37Å |
| 108 | R | 95.8 | Very high | 94.4 | Very high | 165 Ų | 165 | 75.1 Ų | 75.1 | 62% | 0.623 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -71.4 | -40.9 | 175.1 | -166.3 | -176.2 | -65.3 | 140.1 | -0.7 | 110.7 | P104 A105 L106 R111 R112 | P104-R108 PolarHBondContact O-N 3.02Å; A105-R108 WeakPolarHBondContact O-CB 3.34Å; A105-R108 PolarHBondContact O-N 2.96Å; L106-R108 PolarHBondContact O-N 3.33Å; R108-R111 PolarHBondContact O-N 3.02Å; R108-R112 WeakPolarHBondContact O-CB 3.46Å; R108-R112 PolarHBondContact O-N 3.03Å |
| 109 | K | 95.7 | Very high | 94.8 | Very high | 130 Ų | 130 | 74.4 Ų | 74.4 | 57% | 0.565 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61 | -50.9 | 175.2 | -168.4 | 179.9 | 177.8 | -177.5 | 0 | 111.4 | V95 A105 L106 R111 R112 E113 | V95-K109 HydrophobicContact CG1-CD 4.28Å; V95-K109 HydrophobicContact CG1-CG 3.98Å; A105-K109 PolarHBondContact O-N 3.04Å; L106-K109 WeakPolarHBondContact O-CB 3.36Å; L106-K109 PolarHBondContact O-N 3.29Å; L106-K109 VanDerWaalsContact O-N 3.1Å; K109-R111 PolarHBondContact O-N 3.23Å; K109-R112 WeakPolarHBondContact O-CB 3.13Å; K109-R112 PolarHBondContact O-N 3.48Å; K109-E113 PolarHBondContact O-N 3.06Å |
| 110 | A | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V72 V95 V96 V100 L106 R112 E113 A114 | V72-A110 HydrophobicContact CG2-CB 4.29Å; V95-A110 WeakPolarHBondContact O-CB 3.45Å; V96-A110 HydrophobicContact CG2-CB 4.33Å; V100-A110 HydrophobicContact CB-CB 4.37Å; V100-A110 HydrophobicContact CG1-CB 4.02Å; L106-A110 PolarHBondContact O-N 2.87Å; A110-R112 PolarHBondContact O-N 2.97Å; A110-E113 PolarHBondContact O-N 3.02Å; A110-A114 WeakPolarHBondContact O-CB 3.16Å; A110-A114 PolarHBondContact O-N 2.77Å |
| 111 | R | 96.8 | Very high | 95.3 | Very high | 88 Ų | 88 | 78.3 Ų | 78.3 | 33% | 0.332 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 175 | -77.5 | -173.8 | -66.4 | 156.8 | -3.5 | 112.9 | V72 K107 R108 K109 K115 | V72-R111 HydrophobicContact CG2-CG 4.25Å; K107-R111 WeakPolarHBondContact O-CG 3.31Å; K107-R111 PolarHBondContact O-N 3.42Å; K107-R111 PolarHBondContact O-NE 3.37Å; R108-R111 PolarHBondContact O-N 3.02Å; K109-R111 PolarHBondContact O-N 3.23Å; R111-K115 VanDerWaalsContact O-CB 3.28Å; R111-K115 WeakPolarHBondContact O-CB 3.36Å; R111-K115 PolarHBondContact O-N 3.07Å |
| 112 | R | 96.5 | Very high | 95.6 | Very high | 191 Ų | 191 | 77.6 Ų | 77.6 | 72% | 0.721 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -66.4 | -44 | 178.5 | -177.5 | 178 | -179.8 | 171.6 | -0.3 | 110.5 | R108 K109 A110 K115 V116 | R108-R112 WeakPolarHBondContact O-CB 3.46Å; R108-R112 PolarHBondContact O-N 3.03Å; K109-R112 WeakPolarHBondContact O-CB 3.13Å; K109-R112 PolarHBondContact O-N 3.48Å; A110-R112 PolarHBondContact O-N 2.97Å; R112-K115 WeakPolarHBondContact O-CB 3.3Å; R112-K115 PolarHBondContact O-N 2.83Å; R112-V116 WeakPolarHBondContact O-CG2 3.36Å; R112-V116 PolarHBondContact O-N 3.49Å |
| 113 | E | 96 | Very high | 95.7 | Very high | 34 Ų | 34 | 75.5 Ų | 75.5 | 16% | 0.159 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63 | -51.7 | 177.6 | -169.5 | -146.9 | 148.1 | 0 | 0 | 111.8 | D92 V95 V96 K109 A110 K115 V116 K117 | D92-E113 WeakPolarHBondContact CA-OE1 3.32Å; D92-E113 WeakPolarHBondContact CB-OE1 3.45Å; D92-E113 PolarHBondContact N-OE1 3.02Å; V95-E113 WeakPolarHBondContact CB-OE2 3.23Å; V95-E113 HydrophobicContact CG1-CB 4.37Å; V95-E113 WeakPolarHBondContact CG1-OE2 3.38Å; V96-E113 VanDerWaalsContact CG2-OE2 3.31Å; V96-E113 WeakPolarHBondContact CG2-OE2 3.3Å; K109-E113 PolarHBondContact O-N 3.06Å; A110-E113 PolarHBondContact O-N 3.02Å; E113-K115 PolarHBondContact O-N 2.88Å; E113-V116 PolarHBondContact O-N 3.06Å; E113-K117 PolarHBondContact O-N 3.02Å |
| 114 | A | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.6 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | A44 A70 V72 L91 A110 F118 | A44-A114 HydrophobicContact CB-CB 4.26Å; A70-A114 HydrophobicContact CB-CB 4Å; V72-A114 HydrophobicContact CG2-CB 4.46Å; L91-A114 HydrophobicContact CD2-CB 4.26Å; A110-A114 WeakPolarHBondContact O-CB 3.16Å; A110-A114 PolarHBondContact O-N 2.77Å; A114-F118 VanDerWaalsContact O-CB 3.31Å; A114-F118 WeakPolarHBondContact O-CB 3.37Å; A114-F118 WeakPolarHBondContact O-CD1 3.06Å; A114-F118 WeakPolarHBondContact O-CD2 3.35Å; A114-F118 WeakPolarHBondContact O-CG 3.48Å; A114-F118 PolarHBondContact O-N 3.12Å |
| 115 | K | 96.9 | Very high | 95.6 | Very high | 74 Ų | 74 | 73.6 Ų | 73.6 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.4 | -50.8 | 174 | 173.2 | -170.1 | 170.9 | -158.9 | 0 | 111.6 | I68 A70 R111 R112 E113 K117 F118 E119 | I68-K115 WeakPolarHBondContact O-CD 3.47Å; I68-K115 WeakPolarHBondContact O-CE 3.41Å; I68-K115 WeakPolarHBondContact O-CG 3.36Å; A70-K115 HydrophobicContact CB-CB 4.08Å; R111-K115 VanDerWaalsContact O-CB 3.28Å; R111-K115 WeakPolarHBondContact O-CB 3.36Å; R111-K115 PolarHBondContact O-N 3.07Å; R112-K115 WeakPolarHBondContact O-CB 3.3Å; R112-K115 PolarHBondContact O-N 2.83Å; E113-K115 PolarHBondContact O-N 2.88Å; K115-K117 VanDerWaalsContact C-N 3.33Å; K115-K117 PolarHBondContact O-N 3.38Å; K115-F118 PolarHBondContact O-N 2.78Å; K115-E119 WeakPolarHBondContact CE-OE1 3.49Å; K115-E119 HydrophobicContact CG-CG 4.44Å; K115-E119 IonicContact NZ-OE1 3.23Å; K115-E119 WeakPolarHBondContact O-CG 3.44Å; K115-E119 PolarHBondContact O-N 3.33Å |
| 116 | V | 96.6 | Very high | 95.5 | Very high | 59 Ų | 59 | 77.1 Ų | 77.1 | 36% | 0.358 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.1 | -48.1 | -177.8 | 169.5 | 0 | 0 | 0 | 0 | 110 | R112 E113 F118 E119 E120 | R112-V116 WeakPolarHBondContact O-CG2 3.36Å; R112-V116 PolarHBondContact O-N 3.49Å; E113-V116 PolarHBondContact O-N 3.06Å; V116-F118 PolarHBondContact O-N 3.27Å; V116-E119 PolarHBondContact O-N 3.22Å; V116-E120 HydrophobicContact CG1-CG 4.46Å; V116-E120 WeakPolarHBondContact CG1-OE1 3.45Å; V116-E120 WeakPolarHBondContact O-CG 3.41Å; V116-E120 PolarHBondContact O-N 3.36Å |
| 117 | K | 96.4 | Very high | 95.5 | Very high | 63 Ų | 63 | 75.4 Ų | 75.4 | 27% | 0.274 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 178.8 | -65.1 | -55.7 | -177.2 | -170.3 | 0 | 113.5 | I89 L91 E113 K115 E120 R121 | I89-K117 HydrophobicContact CG2-CB 3.65Å; L91-K117 HydrophobicContact CD2-CB 4.06Å; L91-K117 HydrophobicContact CD2-CG 4.22Å; E113-K117 PolarHBondContact O-N 3.02Å; K115-K117 VanDerWaalsContact C-N 3.33Å; K115-K117 PolarHBondContact O-N 3.38Å; K117-E120 VanDerWaalsContact CD-OE2 3.31Å; K117-E120 WeakPolarHBondContact CD-OE2 3.48Å; K117-E120 IonicContact NZ-OE2 3.21Å; K117-E120 PolarHBondContact NZ-OE2 3.48Å; K117-E120 VanDerWaalsContact NZ-OE2 3.12Å; K117-R121 WeakPolarHBondContact O-CB 3.06Å; K117-R121 PolarHBondContact O-N 2.92Å |
| 118 | F | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.9 | -40.9 | 173.9 | -70.6 | -6.3 | 0 | 0 | 0 | 112.3 | A44 I46 I68 A70 I89 A114 K115 V116 Y122 F130 F131 | A44-F118 HydrophobicContact CB-CZ 4.03Å; I46-F118 HydrophobicContact CG1-CD2 3.92Å; I46-F118 HydrophobicContact CG1-CE2 4.1Å; I68-F118 HydrophobicContact CD1-CB 4.1Å; I68-F118 HydrophobicContact CG2-CB 4.29Å; I68-F118 HydrophobicContact CG2-CD2 4.43Å; A70-F118 HydrophobicContact CB-CD2 4.05Å; A70-F118 HydrophobicContact CB-CE2 4.18Å; I89-F118 HydrophobicContact CD1-CD1 3.65Å; I89-F118 HydrophobicContact CD1-CE1 3.83Å; I89-F118 HydrophobicContact CG2-CD1 4.43Å; A114-F118 VanDerWaalsContact O-CB 3.31Å; A114-F118 WeakPolarHBondContact O-CB 3.37Å; A114-F118 WeakPolarHBondContact O-CD1 3.06Å; A114-F118 WeakPolarHBondContact O-CD2 3.35Å; A114-F118 WeakPolarHBondContact O-CG 3.48Å; A114-F118 PolarHBondContact O-N 3.12Å; K115-F118 PolarHBondContact O-N 2.78Å; V116-F118 PolarHBondContact O-N 3.27Å; F118-Y122 VanDerWaalsContact O-CB 3.29Å; F118-Y122 WeakPolarHBondContact O-CB 3Å; F118-Y122 PolarHBondContact O-N 3.15Å; F118-F130 HydrophobicContact CD1-CE1 4.4Å; F118-F130 HydrophobicContact CE1-CE1 4.21Å; F118-F130 HydrophobicContact CE1-CZ 4.39Å; F118-F130 HydrophobicContact CE2-CZ 4.48Å; F118-F130 HydrophobicContact CZ-CE1 4.29Å; F118-F130 HydrophobicContact CZ-CZ 4.12Å; F118-F131 HydrophobicContact CB-CE1 4.16Å; F118-F131 WeakPolarHBondContact O-CE1 3.47Å; F118-F131 WeakPolarHBondContact O-CZ 3.4Å |
| 119 | E | 96.1 | Very high | 95.5 | Very high | 36 Ų | 36 | 75 Ų | 75 | 17% | 0.168 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 177.2 | -72.2 | 179.9 | 171.5 | 0 | 0 | 112 | K67 I68 K115 V116 Y122 K123 | K67-E119 WeakPolarHBondContact CA-OE1 3.35Å; I68-E119 HydrophobicContact CB-CG 3.91Å; I68-E119 HydrophobicContact CD1-CG 4.3Å; I68-E119 HydrophobicContact CG1-CG 4.01Å; I68-E119 PolarHBondContact N-OE1 3.44Å; K115-E119 WeakPolarHBondContact CE-OE1 3.49Å; K115-E119 HydrophobicContact CG-CG 4.44Å; K115-E119 IonicContact NZ-OE1 3.23Å; K115-E119 WeakPolarHBondContact O-CG 3.44Å; K115-E119 PolarHBondContact O-N 3.33Å; V116-E119 PolarHBondContact O-N 3.22Å; E119-Y122 PolarHBondContact O-N 3.06Å; E119-K123 VanDerWaalsContact O-CG 3.3Å; E119-K123 WeakPolarHBondContact O-CG 3.4Å; E119-K123 PolarHBondContact O-N 3.15Å; E119-K123 VanDerWaalsContact O-N 3.14Å |
| 120 | E | 95.2 | Very high | 95.6 | Very high | 94 Ų | 94 | 69 Ų | 69 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -57.4 | -52.4 | 172.4 | -76.4 | 172 | -174 | 0 | 0 | 110.7 | V116 K117 Y122 K123 | V116-E120 HydrophobicContact CG1-CG 4.46Å; V116-E120 WeakPolarHBondContact CG1-OE1 3.45Å; V116-E120 WeakPolarHBondContact O-CG 3.41Å; V116-E120 PolarHBondContact O-N 3.36Å; K117-E120 VanDerWaalsContact CD-OE2 3.31Å; K117-E120 WeakPolarHBondContact CD-OE2 3.48Å; K117-E120 IonicContact NZ-OE2 3.21Å; K117-E120 PolarHBondContact NZ-OE2 3.48Å; K117-E120 VanDerWaalsContact NZ-OE2 3.12Å; E120-Y122 PolarHBondContact O-N 2.66Å; E120-K123 PolarHBondContact O-N 2.54Å |
| 121 | R | 95.6 | Very high | 95.7 | Very high | 60 Ų | 60 | 69.4 Ų | 69.4 | 23% | 0.226 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.9 | -40.5 | -179.4 | -172.3 | 65.3 | 173.7 | -157.2 | -2.7 | 112.2 | D88 I89 K117 K123 T124 N127 F131 | D88-R121 PolarHBondContact O-NH1 2.85Å; I89-R121 HydrophobicContact CD1-CB 4Å; I89-R121 HydrophobicContact CD1-CG 3.95Å; I89-R121 HydrophobicContact CG1-CB 4.02Å; I89-R121 HydrophobicContact CG1-CG 3.86Å; K117-R121 WeakPolarHBondContact O-CB 3.06Å; K117-R121 PolarHBondContact O-N 2.92Å; R121-K123 VanDerWaalsContact C-N 3.31Å; R121-K123 PolarHBondContact O-N 3.1Å; R121-T124 PolarHBondContact O-N 2.87Å; R121-T124 PolarHBondContact O-OG1 3.24Å; R121-N127 VanDerWaalsContact CZ-OD1 3.31Å; R121-N127 PolarHBondContact NE-OD1 3.28Å; R121-N127 PolarHBondContact NH2-OD1 3.07Å; R121-F131 HydrophobicContact CB-CE2 4.36Å; R121-F131 HydrophobicContact CB-CZ 3.97Å; R121-F131 HydrophobicContact CG-CE2 4.02Å; R121-F131 HydrophobicContact CG-CZ 4.05Å |
| 122 | Y | 95.6 | Very high | 95.7 | Very high | 56 Ų | 56 | 71.1 Ų | 71.1 | 22% | 0.22 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -60 | -40.5 | 177.7 | 174.7 | -111.4 | 0 | 0 | 0 | 112.4 | P50 I68 F118 E119 E120 T124 G125 F131 | P50-Y122 HydrophobicContact CB-CD1 4.19Å; P50-Y122 HydrophobicContact CB-CD2 4.48Å; P50-Y122 HydrophobicContact CB-CE1 3.73Å; P50-Y122 HydrophobicContact CB-CE2 4.04Å; P50-Y122 HydrophobicContact CG-CD1 4.33Å; P50-Y122 HydrophobicContact CG-CD2 3.82Å; P50-Y122 HydrophobicContact CG-CE1 4.12Å; P50-Y122 HydrophobicContact CG-CE2 3.56Å; P50-Y122 HydrophobicContact CG-CG 4.19Å; I68-Y122 HydrophobicContact CD1-CG 4.43Å; F118-Y122 VanDerWaalsContact O-CB 3.29Å; F118-Y122 WeakPolarHBondContact O-CB 3Å; F118-Y122 PolarHBondContact O-N 3.15Å; E119-Y122 PolarHBondContact O-N 3.06Å; E120-Y122 PolarHBondContact O-N 2.66Å; Y122-T124 PolarHBondContact O-N 2.89Å; Y122-G125 PolarHBondContact O-N 3.27Å; Y122-F131 HydrophobicContact CD2-CB 3.7Å; Y122-F131 HydrophobicContact CD2-CD1 4.14Å; Y122-F131 AromaticContact CD2-CD2 3.99Å; Y122-F131 HydrophobicContact CD2-CD2 3.99Å; Y122-F131 AromaticContact CD2-CG 3.68Å; Y122-F131 HydrophobicContact CD2-CG 3.68Å; Y122-F131 HydrophobicContact CE2-CB 4.14Å; Y122-F131 HydrophobicContact CG-CD1 4.44Å; Y122-F131 HydrophobicContact CG-CG 4.36Å |
| 123 | K | 93.3 | Very high | 95.7 | Very high | 162 Ų | 162 | 68.1 Ų | 68.1 | 70% | 0.704 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.7 | -25.6 | 178.7 | -72.3 | 170.2 | -175.9 | 177.4 | 0 | 113.2 | E119 E120 R121 G125 | E119-K123 VanDerWaalsContact O-CG 3.3Å; E119-K123 WeakPolarHBondContact O-CG 3.4Å; E119-K123 PolarHBondContact O-N 3.15Å; E119-K123 VanDerWaalsContact O-N 3.14Å; E120-K123 PolarHBondContact O-N 2.54Å; R121-K123 VanDerWaalsContact C-N 3.31Å; R121-K123 PolarHBondContact O-N 3.1Å; K123-G125 PolarHBondContact O-N 2.98Å |
| 124 | T | 93.9 | Very high | 95.7 | Very high | 80 Ų | 80 | 69 Ų | 69 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -9.5 | 175.1 | 72.4 | 0 | 0 | 0 | 0 | 113.9 | R121 Y122 K126 | R121-T124 PolarHBondContact O-N 2.87Å; R121-T124 PolarHBondContact O-OG1 3.24Å; Y122-T124 PolarHBondContact O-N 2.89Å; T124-K126 PolarHBondContact O-N 2.95Å; T124-K126 PolarHBondContact OG1-N 3.44Å |
| 125 | G | 92.3 | Very high | 95.7 | Very high | 42 Ų | 42 | 80.2 Ų | 80.2 | 43% | 0.433 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 2.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y122 K123 K128 | Y122-G125 PolarHBondContact O-N 3.27Å; K123-G125 PolarHBondContact O-N 2.98Å; G125-K128 WeakPolarHBondContact O-CG 3.13Å |
| 126 | K | 93.2 | Very high | 95.4 | Very high | 123 Ų | 123 | 86.4 Ų | 86.4 | 54% | 0.535 | 40% | 0.397 | S | S | . | . | trans | -80.5 | 161.8 | 176.8 | -64.3 | -175.6 | 178.9 | -178.4 | 0 | 111.8 | T124 K128 | T124-K126 PolarHBondContact O-N 2.95Å; T124-K126 PolarHBondContact OG1-N 3.44Å; K126-K128 VanDerWaalsContact C-N 3.31Å; K126-K128 PolarHBondContact O-N 3.21Å | ||
| 127 | N | 94.7 | Very high | 95.3 | Very high | 45 Ų | 45 | 87.8 Ų | 87.8 | 24% | 0.241 | 40% | 0.399 | C | S | . | . | trans | 54 | 42 | 176.3 | -54.3 | 97 | 0 | 0 | 0 | 113.7 | S86 V87 R121 W129 F130 F131 | S86-N127 PolarHBondContact O-ND2 2.88Å; V87-N127 HydrophobicContact CG2-CB 4.09Å; R121-N127 VanDerWaalsContact CZ-OD1 3.31Å; R121-N127 PolarHBondContact NE-OD1 3.28Å; R121-N127 PolarHBondContact NH2-OD1 3.07Å; N127-W129 PolarHBondContact O-N 3.44Å; N127-W129 VanDerWaalsContact O-N 3.12Å; N127-F130 HydrophobicContact CB-CB 4.23Å; N127-F130 WeakPolarHBondContact O-CB 3.46Å; N127-F130 PolarHBondContact O-N 2.97Å; N127-F131 HydrophobicContact CB-CD2 4.46Å; N127-F131 HydrophobicContact CB-CE2 4.19Å; N127-F131 WeakPolarHBondContact O-CD2 3.3Å; N127-F131 PolarHBondContact O-N 2.79Å | ||
| 128 | K | 95.3 | Very high | 95.3 | Very high | 165 Ų | 165 | 89.1 Ų | 89.1 | 72% | 0.717 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -48 | -43.3 | -177.6 | -65.4 | -178.6 | -179.6 | 175 | 0 | 113 | G125 K126 F130 F131 Q132 | G125-K128 WeakPolarHBondContact O-CG 3.13Å; K126-K128 VanDerWaalsContact C-N 3.31Å; K126-K128 PolarHBondContact O-N 3.21Å; K128-F130 VanDerWaalsContact C-N 3.34Å; K128-F130 PolarHBondContact O-N 3.21Å; K128-F131 PolarHBondContact O-N 3.36Å; K128-Q132 WeakPolarHBondContact O-CB 3.43Å; K128-Q132 PolarHBondContact O-N 2.83Å |
| 129 | W | 96.6 | Very high | 95.2 | Very high | 74 Ų | 74 | 94.1 Ų | 94.1 | 28% | 0.28 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 178.4 | -172.1 | 90.1 | 0 | 0 | 0 | 112.6 | V10 M12 K22 T83 Y85 N127 F131 Q132 | V10-W129 HydrophobicContact CG1-CZ3 3.78Å; M12-W129 HydrophobicContact CG-CH2 4.22Å; M12-W129 HydrophobicContact SD-CH2 4.07Å; M12-W129 HydrophobicContact SD-CZ2 4.38Å; K22-W129 HydrophobicContact CD-CE3 3.98Å; K22-W129 HydrophobicContact CD-CH2 4.03Å; K22-W129 HydrophobicContact CD-CZ3 3.73Å; K22-W129 HydrophobicContact CG-CH2 4.32Å; K22-W129 HydrophobicContact CG-CZ3 4.18Å; K22-W129 PolarHBondContact NZ-O 2.89Å; T83-W129 HydrophobicContact CG2-CH2 3.98Å; T83-W129 HydrophobicContact CG2-CZ3 4.45Å; Y85-W129 AromaticContact CD2-CD2 3.68Å; Y85-W129 HydrophobicContact CD2-CD2 3.68Å; Y85-W129 AromaticContact CD2-CE3 3.42Å; Y85-W129 HydrophobicContact CD2-CE3 3.42Å; Y85-W129 VanDerWaalsContact CD2-CE3 3.42Å; Y85-W129 HydrophobicContact CD2-CG 4.39Å; Y85-W129 HydrophobicContact CD2-CH2 4Å; Y85-W129 HydrophobicContact CD2-CZ2 4.22Å; Y85-W129 AromaticContact CD2-CZ3 3.59Å; Y85-W129 HydrophobicContact CD2-CZ3 3.59Å; Y85-W129 AromaticContact CE2-CD2 3.46Å; Y85-W129 HydrophobicContact CE2-CD2 3.46Å; Y85-W129 VanDerWaalsContact CE2-CD2 3.46Å; Y85-W129 AromaticContact CE2-CE2 3.55Å; Y85-W129 AromaticContact CE2-CE3 3.74Å; Y85-W129 HydrophobicContact CE2-CE3 3.74Å; Y85-W129 AromaticContact CE2-CG 3.89Å; Y85-W129 HydrophobicContact CE2-CG 3.89Å; Y85-W129 HydrophobicContact CE2-CH2 4.2Å; Y85-W129 AromaticContact CE2-CZ2 3.94Å; Y85-W129 HydrophobicContact CE2-CZ2 3.94Å; Y85-W129 HydrophobicContact CE2-CZ3 4.09Å; Y85-W129 AromaticContact CE2-NE1 3.94Å; Y85-W129 HydrophobicContact CG-CD2 4.42Å; Y85-W129 HydrophobicContact CG-CE3 4.01Å; Y85-W129 HydrophobicContact CG-CZ3 4.4Å; Y85-W129 AromaticContact CZ-CG 3.97Å; N127-W129 PolarHBondContact O-N 3.44Å; N127-W129 VanDerWaalsContact O-N 3.12Å; W129-F131 VanDerWaalsContact C-N 3.34Å; W129-F131 PolarHBondContact O-N 3.07Å; W129-Q132 PolarHBondContact O-N 2.84Å |
| 130 | F | 97.5 | Very high | 95.1 | Very high | 3 Ų | 3 | 97.5 Ų | 97.5 | 1% | 0.013 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64 | -39.8 | 179.7 | -178.9 | -110.1 | 0 | 0 | 0 | 112 | V10 K22 V24 I46 Y49 V87 F118 N127 K128 | V10-F130 HydrophobicContact CG1-CD2 3.74Å; V10-F130 HydrophobicContact CG1-CE2 4.15Å; V10-F130 HydrophobicContact CG2-CD2 4.1Å; K22-F130 HydrophobicContact CB-CD2 3.9Å; K22-F130 HydrophobicContact CB-CE2 3.89Å; V24-F130 HydrophobicContact CG2-CD2 4.43Å; V24-F130 HydrophobicContact CG2-CE1 4.38Å; V24-F130 HydrophobicContact CG2-CE2 3.7Å; V24-F130 HydrophobicContact CG2-CZ 3.67Å; I46-F130 HydrophobicContact CD1-CD1 3.86Å; I46-F130 HydrophobicContact CD1-CE1 3.5Å; I46-F130 HydrophobicContact CD1-CZ 3.95Å; I46-F130 HydrophobicContact CG1-CE1 4.05Å; I46-F130 HydrophobicContact CG1-CZ 4.13Å; Y49-F130 WeakPolarHBondContact CE1-O 3.33Å; V87-F130 HydrophobicContact CG2-CB 4.02Å; V87-F130 HydrophobicContact CG2-CD1 4.5Å; V87-F130 HydrophobicContact CG2-CD2 4.35Å; V87-F130 HydrophobicContact CG2-CG 4.05Å; F118-F130 HydrophobicContact CD1-CE1 4.4Å; F118-F130 HydrophobicContact CE1-CE1 4.21Å; F118-F130 HydrophobicContact CE1-CZ 4.39Å; F118-F130 HydrophobicContact CE2-CZ 4.48Å; F118-F130 HydrophobicContact CZ-CE1 4.29Å; F118-F130 HydrophobicContact CZ-CZ 4.12Å; N127-F130 HydrophobicContact CB-CB 4.23Å; N127-F130 WeakPolarHBondContact O-CB 3.46Å; N127-F130 PolarHBondContact O-N 2.97Å; K128-F130 VanDerWaalsContact C-N 3.34Å; K128-F130 PolarHBondContact O-N 3.21Å |
| 131 | F | 97.3 | Very high | 95.1 | Very high | 8 Ų | 8 | 97.7 Ų | 97.7 | 4% | 0.035 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -85.1 | -9.2 | -179 | -63 | -68.4 | 0 | 0 | 0 | 114.3 | I46 Y49 P50 I68 F118 R121 Y122 N127 K128 W129 | I46-F131 HydrophobicContact CD1-CD1 3.68Å; I46-F131 HydrophobicContact CD1-CE1 4.04Å; Y49-F131 WeakPolarHBondContact CD1-O 3.41Å; P50-F131 HydrophobicContact CG-CB 4.16Å; I68-F131 HydrophobicContact CD1-CD1 3.77Å; I68-F131 HydrophobicContact CD1-CE1 3.8Å; F118-F131 HydrophobicContact CB-CE1 4.16Å; F118-F131 WeakPolarHBondContact O-CE1 3.47Å; F118-F131 WeakPolarHBondContact O-CZ 3.4Å; R121-F131 HydrophobicContact CB-CE2 4.36Å; R121-F131 HydrophobicContact CB-CZ 3.97Å; R121-F131 HydrophobicContact CG-CE2 4.02Å; R121-F131 HydrophobicContact CG-CZ 4.05Å; Y122-F131 HydrophobicContact CD2-CB 3.7Å; Y122-F131 HydrophobicContact CD2-CD1 4.14Å; Y122-F131 AromaticContact CD2-CD2 3.99Å; Y122-F131 HydrophobicContact CD2-CD2 3.99Å; Y122-F131 AromaticContact CD2-CG 3.68Å; Y122-F131 HydrophobicContact CD2-CG 3.68Å; Y122-F131 HydrophobicContact CE2-CB 4.14Å; Y122-F131 HydrophobicContact CG-CD1 4.44Å; Y122-F131 HydrophobicContact CG-CG 4.36Å; N127-F131 HydrophobicContact CB-CD2 4.46Å; N127-F131 HydrophobicContact CB-CE2 4.19Å; N127-F131 WeakPolarHBondContact O-CD2 3.3Å; N127-F131 PolarHBondContact O-N 2.79Å; K128-F131 PolarHBondContact O-N 3.36Å; W129-F131 VanDerWaalsContact C-N 3.34Å; W129-F131 PolarHBondContact O-N 3.07Å |
| 132 | Q | 96.9 | Very high | 95.1 | Very high | 124 Ų | 124 | 100.2 Ų | 100.2 | 58% | 0.579 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -86.1 | 129 | 174.4 | -172.8 | 171.2 | -7.6 | 0 | 0 | 110.8 | K22 K128 W129 L134 | K22-Q132 PolarHBondContact NZ-O 3.21Å; K128-Q132 WeakPolarHBondContact O-CB 3.43Å; K128-Q132 PolarHBondContact O-N 2.83Å; W129-Q132 PolarHBondContact O-N 2.84Å; Q132-L134 PolarHBondContact O-N 2.75Å |
| 133 | K | 97 | Very high | 95.1 | Very high | 129 Ų | 129 | 103.4 Ų | 103.4 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 131.1 | 174.8 | -170.6 | -171.3 | 172.6 | -170.2 | 0 | 109.8 | Y49 | Y49-K133 HydrophobicContact CD2-CB 3.75Å; Y49-K133 HydrophobicContact CD2-CG 3.73Å; Y49-K133 HydrophobicContact CE2-CB 4.2Å; Y49-K133 HydrophobicContact CE2-CG 3.97Å; Y49-K133 HydrophobicContact CG-CB 3.97Å; Y49-K133 HydrophobicContact CG-CG 4.45Å |
| 134 | L | 95.9 | Very high | 95.2 | Very high | 51 Ų | 51 | 98.8 Ų | 98.8 | 27% | 0.267 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -68 | 136.4 | 168.1 | -174.2 | 70.2 | 0 | 0 | 0 | 109.3 | M12 Q132 F136 | M12-L134 HydrophobicContact CE-CD2 3.82Å; M12-L134 HydrophobicContact SD-CD2 3.69Å; Q132-L134 PolarHBondContact O-N 2.75Å; L134-F136 HydrophobicContact CB-CD1 4.4Å; L134-F136 HydrophobicContact CD2-CD1 3.89Å; L134-F136 HydrophobicContact CD2-CE1 4.41Å; L134-F136 HydrophobicContact CG-CD1 4.04Å |
| 135 | R | 95.6 | Very high | 95.3 | Very high | 236 Ų | 236 | 100.4 Ų | 100.4 | 89% | 0.891 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -103.4 | 122.7 | 174.5 | -63.9 | -172.4 | 178.4 | -162.8 | 0 | 108.1 | ||
| 136 | F | 91.6 | Very high | 95.6 | Very high | 205 Ų | 205 | 105.7 Ų | 105.7 | 90% | 0.899 | 46% | 0.456 | S | S | * | . | trans | -152.8 | 0 | 174.6 | 62.1 | -89.1 | 0 | 0 | 0 | 106.6 | L134 | L134-F136 HydrophobicContact CB-CD1 4.4Å; L134-F136 HydrophobicContact CD2-CD1 3.89Å; L134-F136 HydrophobicContact CD2-CE1 4.41Å; L134-F136 HydrophobicContact CG-CD1 4.04Å |
Retrieved 136 of 136 residues in 25.9 ms
(Link to these results)