| 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 | 50.9 | Low | 86 | Confident | 168 Ų | 168 | 94.6 Ų | 94.6 | 83% | 0.828 | 52% | 0.522 | S | S | * | . | 0 | 117.7 | 0 | -93.2 | -176.3 | -102.1 | 0 | 0 | 107.2 | K3 V46 | M1-K3 PolarHBondContact O-N 3.46Å; M1-V46 HydrophobicContact CB-CG2 4.4Å; M1-V46 HydrophobicContact CG-CG2 4.31Å; M1-V46 HydrophobicContact SD-CG2 3.55Å; M1-V46 VanDerWaalsContact SD-CG2 3.55Å | |||
| 2 | E | 61.6 | Low | 86.9 | Confident | 180 Ų | 180 | 91.5 Ų | 91.5 | 84% | 0.841 | 50% | 0.5 | S | S | * | . | trans | -62 | 127.2 | -178.2 | -77.8 | 175.8 | 146.9 | 0 | 0 | 110.8 | ||||
| 3 | K | 72.3 | Confident | 87.7 | Confident | 137 Ų | 137 | 100.8 Ų | 100.8 | 60% | 0.596 | 52% | 0.523 | S | S | * | . | trans | -72.2 | 153.2 | 162.7 | -77.3 | -170.9 | 169.8 | -170.2 | 0 | 108.3 | M1 E53 | M1-K3 PolarHBondContact O-N 3.46Å; K3-E53 WeakPolarHBondContact CE-OE2 3.33Å; K3-E53 IonicContact NZ-OE2 2.83Å; K3-E53 PolarHBondContact NZ-OE2 3.38Å | ||
| 4 | G | 87.3 | Confident | 88.4 | Confident | 45 Ų | 45 | 94.9 Ų | 94.9 | 46% | 0.464 | 50% | 0.498 | S | S | . | . | S | Bend | trans | 94.3 | 171.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113 | R43 | G4-R43 VanDerWaalsContact C-NH2 3.33Å; G4-R43 PolarHBondContact O-NH1 2.8Å; G4-R43 PolarHBondContact O-NH2 2.95Å |
| 5 | V | 95.6 | Very high | 89 | Confident | 57 Ų | 57 | 94 Ų | 94 | 35% | 0.345 | 49% | 0.486 | S | S | . | . | trans | -71.9 | 145.5 | -172.2 | 62.8 | 0 | 0 | 0 | 0 | 112.6 | V7 V172 E175 | V5-V7 HydrophobicContact CG1-CG2 4.02Å; V5-V172 HydrophobicContact CB-CB 4.22Å; V5-V172 HydrophobicContact CB-CG1 4.47Å; V5-V172 HydrophobicContact CG2-CB 3.82Å; V5-V172 HydrophobicContact CG2-CG1 3.55Å; V5-E175 HydrophobicContact CG2-CB 3.85Å | ||
| 6 | V | 97.4 | Very high | 89.5 | Confident | 60 Ų | 60 | 92.2 Ų | 92.2 | 36% | 0.364 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 114.4 | 170 | 177.1 | 0 | 0 | 0 | 0 | 108.8 | L8 G173 F174 E175 | V6-L8 HydrophobicContact CG1-CD2 4.46Å; V6-G173 PolarHBondContact N-O 3.05Å; V6-G173 VanDerWaalsContact N-O 3.14Å; V6-F174 HydrophobicContact CB-CD1 3.67Å; V6-F174 HydrophobicContact CB-CE1 4.04Å; V6-F174 HydrophobicContact CB-CG 4.47Å; V6-F174 HydrophobicContact CG1-CD1 3.76Å; V6-F174 HydrophobicContact CG1-CE1 4.03Å; V6-F174 HydrophobicContact CG2-CD1 4.44Å; V6-F174 HydrophobicContact CG2-CE1 4.38Å; V6-F174 CarbonylContact O-C 3.47Å; V6-F174 VanDerWaalsContact O-CA 3.23Å; V6-F174 WeakPolarHBondContact O-CA 3.36Å; V6-E175 PolarHBondContact O-N 2.81Å |
| 7 | V | 97.2 | Very high | 90 | Very high | 86 Ų | 86 | 87.2 Ų | 87.2 | 52% | 0.521 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 114.4 | -179 | -175.5 | 0 | 0 | 0 | 0 | 109.4 | V5 E175 | V5-V7 HydrophobicContact CG1-CG2 4.02Å; V7-E175 HydrophobicContact CG2-CB 4.33Å |
| 8 | L | 97.5 | Very high | 90.3 | Very high | 20 Ų | 20 | 88.5 Ų | 88.5 | 11% | 0.105 | 46% | 0.46 | C | S | . | . | trans | -81.6 | 129.6 | 169.9 | -59.7 | -173.2 | 0 | 0 | 0 | 108.9 | V6 F12 L34 I35 R160 E175 I176 | V6-L8 HydrophobicContact CG1-CD2 4.46Å; L8-F12 HydrophobicContact CB-CD1 4.37Å; L8-F12 HydrophobicContact CD1-CD1 4.2Å; L8-F12 HydrophobicContact CD1-CE1 4.36Å; L8-F12 HydrophobicContact CD2-CD1 4.38Å; L8-F12 HydrophobicContact CD2-CE1 4.43Å; L8-L34 HydrophobicContact CD1-CD1 3.99Å; L8-L34 HydrophobicContact CD1-CD2 4.28Å; L8-L34 HydrophobicContact CD1-CG 3.8Å; L8-I35 HydrophobicContact CD1-CD1 4.16Å; L8-I35 HydrophobicContact CD1-CG1 3.87Å; L8-R160 VanDerWaalsContact O-CZ 3.26Å; L8-R160 PolarHBondContact O-NH1 3.43Å; L8-R160 PolarHBondContact O-NH2 3Å; L8-E175 PolarHBondContact N-O 3.36Å; L8-I176 HydrophobicContact CD1-CG2 3.91Å; L8-I176 HydrophobicContact CG-CG2 4.48Å | ||
| 9 | A | 96.5 | Very high | 90.6 | Very high | 49 Ų | 49 | 90.1 Ų | 90.1 | 41% | 0.405 | 47% | 0.469 | S | S | . | . | trans | -66.8 | 153.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D11 F12 P177 | A9-D11 WeakPolarHBondContact CB-OD1 3.32Å; A9-D11 PolarHBondContact O-N 3.41Å; A9-F12 WeakPolarHBondContact O-CB 3.46Å; A9-F12 PolarHBondContact O-N 3.33Å; A9-P177 WeakPolarHBondContact O-CG 3.47Å | ||
| 10 | D | 94.8 | Very high | 91 | Very high | 108 Ų | 108 | 88.2 Ų | 88.2 | 58% | 0.578 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -31.4 | -178.9 | -67.7 | -19.1 | 0 | 0 | 0 | 112.8 | F12 R160 R179 | D10-F12 VanDerWaalsContact C-N 3.32Å; D10-R160 IonicContact OD1-CZ 3.99Å; D10-R160 IonicContact OD1-NE 2.67Å; D10-R160 PolarHBondContact OD1-NE 2.81Å; D10-R160 VanDerWaalsContact OD1-NE 3.14Å; D10-R160 IonicContact OD1-NH2 3.12Å; D10-R160 PolarHBondContact OD1-NH2 2.9Å; D10-R179 PolarHBondContact O-NH2 2.81Å |
| 11 | D | 95.5 | Very high | 91.2 | Very high | 131 Ų | 131 | 90.5 Ų | 90.5 | 70% | 0.701 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2.4 | 176.2 | 68.1 | -21.4 | 0 | 0 | 0 | 113.6 | A9 R13 | A9-D11 WeakPolarHBondContact CB-OD1 3.32Å; A9-D11 PolarHBondContact O-N 3.41Å; D11-R13 PolarHBondContact O-N 3.24Å; D11-R13 VanDerWaalsContact O-N 3.14Å |
| 12 | F | 96.8 | Very high | 93.2 | Very high | 57 Ų | 57 | 83.3 Ų | 83.3 | 25% | 0.25 | 44% | 0.44 | C | S | . | . | trans | -63.8 | 117.1 | 175.8 | -178.8 | -120.2 | 0 | 0 | 0 | 109.9 | L8 A9 D10 G14 Y15 L34 R179 | L8-F12 HydrophobicContact CB-CD1 4.37Å; L8-F12 HydrophobicContact CD1-CD1 4.2Å; L8-F12 HydrophobicContact CD1-CE1 4.36Å; L8-F12 HydrophobicContact CD2-CD1 4.38Å; L8-F12 HydrophobicContact CD2-CE1 4.43Å; A9-F12 WeakPolarHBondContact O-CB 3.46Å; A9-F12 PolarHBondContact O-N 3.33Å; D10-F12 VanDerWaalsContact C-N 3.32Å; F12-G14 VanDerWaalsContact C-N 3.31Å; F12-G14 PolarHBondContact O-N 3.21Å; F12-Y15 HydrophobicContact CZ-CE2 4.08Å; F12-L34 HydrophobicContact CD1-CD1 3.95Å; F12-L34 HydrophobicContact CE1-CD1 4.15Å; F12-R179 VanDerWaalsContact O-CZ 3.3Å; F12-R179 PolarHBondContact O-NH1 2.83Å; F12-R179 VanDerWaalsContact O-NH1 3.09Å; F12-R179 PolarHBondContact O-NH2 3.11Å | ||
| 13 | R | 96.2 | Very high | 94.8 | Very high | 213 Ų | 213 | 77.7 Ų | 77.7 | 80% | 0.804 | 42% | 0.42 | S | S | * | . | trans | -81.3 | -11.2 | -174 | -64.1 | -171.3 | 179.3 | -170.9 | -1.1 | 113.8 | D11 C32 | D11-R13 PolarHBondContact O-N 3.24Å; D11-R13 VanDerWaalsContact O-N 3.14Å; R13-C32 WeakPolarHBondContact O-CB 3.3Å; R13-C32 PolarHBondContact O-SG 3.17Å; R13-C32 VanDerWaalsContact O-SG 3.33Å | ||
| 14 | G | 97.5 | Very high | 95.8 | Very high | 17 Ų | 17 | 77.9 Ų | 77.9 | 18% | 0.175 | 42% | 0.424 | C | S | . | . | trans | 73.9 | -173.5 | -166 | 0 | 0 | 0 | 0 | 0 | 111.7 | F12 V33 | F12-G14 VanDerWaalsContact C-N 3.31Å; F12-G14 PolarHBondContact O-N 3.21Å; G14-V33 CarbonylContact C-O 3.51Å; G14-V33 VanDerWaalsContact CA-O 3.27Å; G14-V33 WeakPolarHBondContact CA-O 3.46Å | ||
| 15 | Y | 98.2 | Very high | 96.2 | Very high | 82 Ų | 82 | 80.1 Ų | 80.1 | 32% | 0.322 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -102.6 | 148.6 | -179 | -49.2 | -80.9 | 0 | 0 | 0 | 111.3 | F12 F20 V33 E39 | F12-Y15 HydrophobicContact CZ-CE2 4.08Å; Y15-F20 VanDerWaalsContact CB-CE2 3.45Å; Y15-F20 HydrophobicContact CD2-CE2 4.27Å; Y15-F20 HydrophobicContact CD2-CZ 4.03Å; Y15-F20 AromaticContact CG-CE2 3.98Å; Y15-F20 HydrophobicContact CG-CE2 3.98Å; Y15-F20 HydrophobicContact CG-CZ 4.13Å; Y15-V33 HydrophobicContact CD2-CG1 4.38Å; Y15-V33 WeakPolarHBondContact CD2-O 3.48Å; Y15-V33 PolarHBondContact N-O 3.12Å; Y15-V33 PolarHBondContact O-N 2.79Å; Y15-E39 PolarHBondContact OH-OE1 3.1Å |
| 16 | P | 97.5 | Very high | 96.2 | Very high | 65 Ų | 65 | 80.3 Ų | 80.3 | 42% | 0.422 | 43% | 0.425 | S | S | . | . | trans | -58.8 | 136.5 | 173.7 | -20.3 | 31.8 | 0 | 0 | 0 | 111.7 | Q18 D19 | P16-Q18 VanDerWaalsContact CB-OE1 3.31Å; P16-Q18 PolarHBondContact O-N 3.3Å; P16-D19 WeakPolarHBondContact CD-OD2 3.29Å; P16-D19 WeakPolarHBondContact CG-OD2 3.09Å; P16-D19 PolarHBondContact O-N 3.43Å; P16-D19 VanDerWaalsContact O-N 3.16Å | ||
| 17 | V | 96.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 81.2 Ų | 81.2 | 4% | 0.042 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -62.8 | -24.9 | -179.6 | -62.6 | 0 | 0 | 0 | 0 | 113.1 | D19 F20 W27 I30 | V17-D19 PolarHBondContact O-N 2.92Å; V17-F20 PolarHBondContact O-N 3.06Å; V17-W27 HydrophobicContact CG2-CB 4.17Å; V17-W27 HydrophobicContact CG2-CD2 4.27Å; V17-W27 HydrophobicContact CG2-CG 3.87Å; V17-I30 HydrophobicContact CG1-CB 4.07Å; V17-I30 HydrophobicContact CG1-CG2 3.63Å |
| 18 | Q | 95.6 | Very high | 96.2 | Very high | 111 Ų | 111 | 79.9 Ų | 79.9 | 52% | 0.519 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -71.4 | -19.6 | -179.7 | -56.3 | 84.2 | 1.3 | 0 | 0 | 113 | P16 F20 W27 | P16-Q18 VanDerWaalsContact CB-OE1 3.31Å; P16-Q18 PolarHBondContact O-N 3.3Å; Q18-F20 PolarHBondContact O-N 2.88Å; Q18-W27 HydrophobicContact CB-CH2 4.19Å; Q18-W27 HydrophobicContact CB-CZ2 4.24Å; Q18-W27 HydrophobicContact CG-CD2 4.42Å; Q18-W27 HydrophobicContact CG-CE3 4.12Å; Q18-W27 HydrophobicContact CG-CH2 3.64Å; Q18-W27 HydrophobicContact CG-CZ2 3.95Å; Q18-W27 HydrophobicContact CG-CZ3 3.74Å |
| 19 | D | 96.8 | Very high | 96.2 | Very high | 119 Ų | 119 | 81 Ų | 81 | 64% | 0.636 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -82.2 | -2.2 | 178.2 | -62.6 | -23.2 | 0 | 0 | 0 | 112.1 | P16 V17 | P16-D19 WeakPolarHBondContact CD-OD2 3.29Å; P16-D19 WeakPolarHBondContact CG-OD2 3.09Å; P16-D19 PolarHBondContact O-N 3.43Å; P16-D19 VanDerWaalsContact O-N 3.16Å; V17-D19 PolarHBondContact O-N 2.92Å |
| 20 | F | 97.1 | Very high | 96.3 | Very high | 51 Ų | 51 | 78.9 Ų | 78.9 | 22% | 0.224 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -123.7 | 160.1 | -173.6 | -73.4 | -100.8 | 0 | 0 | 0 | 112.1 | Y15 V17 Q18 I22 V33 | Y15-F20 VanDerWaalsContact CB-CE2 3.45Å; Y15-F20 HydrophobicContact CD2-CE2 4.27Å; Y15-F20 HydrophobicContact CD2-CZ 4.03Å; Y15-F20 AromaticContact CG-CE2 3.98Å; Y15-F20 HydrophobicContact CG-CE2 3.98Å; Y15-F20 HydrophobicContact CG-CZ 4.13Å; V17-F20 PolarHBondContact O-N 3.06Å; Q18-F20 PolarHBondContact O-N 2.88Å; F20-I22 VanDerWaalsContact C-N 3.26Å; F20-I22 HydrophobicContact CB-CD1 4.31Å; F20-I22 HydrophobicContact CB-CG1 4.3Å; F20-I22 PolarHBondContact O-N 3.08Å; F20-V33 HydrophobicContact CB-CG2 4.11Å; F20-V33 HydrophobicContact CD1-CG1 4.12Å; F20-V33 HydrophobicContact CD1-CG2 4.18Å; F20-V33 HydrophobicContact CD2-CB 4.14Å; F20-V33 HydrophobicContact CD2-CG1 4.49Å; F20-V33 HydrophobicContact CD2-CG2 3.81Å; F20-V33 HydrophobicContact CE1-CG1 3.86Å; F20-V33 HydrophobicContact CE2-CB 4.13Å; F20-V33 HydrophobicContact CE2-CG1 4.27Å; F20-V33 HydrophobicContact CE2-CG2 4.32Å; F20-V33 HydrophobicContact CG-CB 4.36Å; F20-V33 HydrophobicContact CG-CG1 4.44Å; F20-V33 HydrophobicContact CG-CG2 3.75Å; F20-V33 HydrophobicContact CZ-CB 4.31Å; F20-V33 HydrophobicContact CZ-CG1 3.94Å |
| 21 | V | 95.3 | Very high | 96.4 | Very high | 138 Ų | 138 | 78.7 Ų | 78.7 | 84% | 0.836 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -80.3 | 76.6 | 177.9 | -173.3 | 0 | 0 | 0 | 0 | 109.5 | ||
| 22 | I | 94.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 72.7 Ų | 72.7 | 8% | 0.082 | 37% | 0.367 | C | S | . | . | trans | -126.9 | 129 | 175.3 | -60.2 | 176.2 | 0 | 0 | 0 | 107.8 | F20 E24 F26 W27 V33 L195 | F20-I22 VanDerWaalsContact C-N 3.26Å; F20-I22 HydrophobicContact CB-CD1 4.31Å; F20-I22 HydrophobicContact CB-CG1 4.3Å; F20-I22 PolarHBondContact O-N 3.08Å; I22-E24 PolarHBondContact O-N 2.72Å; I22-F26 HydrophobicContact CG2-CB 3.99Å; I22-W27 PolarHBondContact O-NE1 2.97Å; I22-V33 HydrophobicContact CD1-CG2 3.85Å; I22-L195 HydrophobicContact CG2-CD2 4.39Å | ||
| 23 | S | 94.1 | Very high | 96.6 | Very high | 63 Ų | 63 | 70 Ų | 70 | 44% | 0.441 | 36% | 0.355 | S | S | . | . | trans | -56.7 | 136.1 | 177.6 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | T25 F26 | S23-T25 PolarHBondContact O-N 3.39Å; S23-T25 PolarHBondContact OG-N 2.84Å; S23-T25 PolarHBondContact OG-OG1 3.14Å; S23-F26 PolarHBondContact O-N 2.84Å | ||
| 24 | E | 94.7 | Very high | 96.7 | Very high | 141 Ų | 141 | 59.9 Ų | 59.9 | 66% | 0.659 | 32% | 0.317 | S | S | * | . | G | 310 helix | trans | -53.3 | -29 | 178.5 | -64 | -177.5 | -173.2 | 0 | 0 | 112.4 | I22 F26 W27 | I22-E24 PolarHBondContact O-N 2.72Å; E24-F26 PolarHBondContact O-N 3.4Å; E24-W27 HydrophobicContact CB-CD2 4.28Å; E24-W27 HydrophobicContact CB-CE3 4.47Å; E24-W27 HydrophobicContact CG-CD2 4.23Å; E24-W27 HydrophobicContact CG-CE3 4.31Å; E24-W27 HydrophobicContact CG-CH2 3.79Å; E24-W27 HydrophobicContact CG-CZ2 3.69Å; E24-W27 HydrophobicContact CG-CZ3 4.1Å; E24-W27 WeakPolarHBondContact O-CB 3.18Å; E24-W27 PolarHBondContact O-N 3.26Å; E24-W27 VanDerWaalsContact O-N 3.16Å |
| 25 | T | 94.6 | Very high | 96.8 | Very high | 92 Ų | 92 | 59.1 Ų | 59.1 | 56% | 0.564 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -61.5 | -23.2 | 175.3 | 59.9 | 0 | 0 | 0 | 0 | 114.1 | S23 Y29 | S23-T25 PolarHBondContact O-N 3.39Å; S23-T25 PolarHBondContact OG-N 2.84Å; S23-T25 PolarHBondContact OG-OG1 3.14Å; T25-Y29 VanDerWaalsContact O-CE2 3.28Å; T25-Y29 WeakPolarHBondContact O-CE2 3.49Å |
| 26 | F | 95.6 | Very high | 96.8 | Very high | 61 Ų | 61 | 56 Ų | 56 | 27% | 0.268 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -97.9 | -12.6 | 178.2 | -71.1 | -76.5 | 0 | 0 | 0 | 113.2 | I22 S23 E24 P28 Y29 I30 L192 F209 | I22-F26 HydrophobicContact CG2-CB 3.99Å; S23-F26 PolarHBondContact O-N 2.84Å; E24-F26 PolarHBondContact O-N 3.4Å; F26-P28 VanDerWaalsContact C-CD 3.43Å; F26-P28 VanDerWaalsContact C-N 3.32Å; F26-Y29 HydrophobicContact CD1-CD2 4.02Å; F26-Y29 PolarHBondContact O-N 3.43Å; F26-I30 PolarHBondContact O-N 3.15Å; F26-L192 HydrophobicContact CD1-CD2 3.67Å; F26-L192 HydrophobicContact CE1-CD2 3.73Å; F26-F209 HydrophobicContact CE1-CZ 4.42Å |
| 27 | W | 96.6 | Very high | 96.8 | Very high | 79 Ų | 79 | 56.1 Ų | 56.1 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -54.3 | -40.5 | -177.8 | -68.1 | 2.7 | 0 | 0 | 0 | 113.6 | V17 Q18 I22 E24 Y29 I30 | V17-W27 HydrophobicContact CG2-CB 4.17Å; V17-W27 HydrophobicContact CG2-CD2 4.27Å; V17-W27 HydrophobicContact CG2-CG 3.87Å; Q18-W27 HydrophobicContact CB-CH2 4.19Å; Q18-W27 HydrophobicContact CB-CZ2 4.24Å; Q18-W27 HydrophobicContact CG-CD2 4.42Å; Q18-W27 HydrophobicContact CG-CE3 4.12Å; Q18-W27 HydrophobicContact CG-CH2 3.64Å; Q18-W27 HydrophobicContact CG-CZ2 3.95Å; Q18-W27 HydrophobicContact CG-CZ3 3.74Å; I22-W27 PolarHBondContact O-NE1 2.97Å; E24-W27 HydrophobicContact CB-CD2 4.28Å; E24-W27 HydrophobicContact CB-CE3 4.47Å; E24-W27 HydrophobicContact CG-CD2 4.23Å; E24-W27 HydrophobicContact CG-CE3 4.31Å; E24-W27 HydrophobicContact CG-CH2 3.79Å; E24-W27 HydrophobicContact CG-CZ2 3.69Å; E24-W27 HydrophobicContact CG-CZ3 4.1Å; E24-W27 WeakPolarHBondContact O-CB 3.18Å; E24-W27 PolarHBondContact O-N 3.26Å; E24-W27 VanDerWaalsContact O-N 3.16Å; W27-Y29 PolarHBondContact O-N 3.36Å; W27-I30 PolarHBondContact O-N 3.33Å; W27-I30 VanDerWaalsContact O-O 3.05Å |
| 28 | P | 97.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 59.9 Ų | 59.9 | 37% | 0.37 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -63.3 | -26.1 | 176.9 | -22.5 | 34.6 | 0 | 0 | 0 | 113.5 | F26 S202 | F26-P28 VanDerWaalsContact C-CD 3.43Å; F26-P28 VanDerWaalsContact C-N 3.32Å; P28-S202 PolarHBondContact O-OG 2.68Å |
| 29 | Y | 97.9 | Very high | 97 | Very high | 43 Ų | 43 | 57 Ų | 57 | 17% | 0.169 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -91.1 | -8.3 | -174.4 | -48.2 | -43.5 | 0 | 0 | 0 | 113.8 | T25 F26 W27 S202 E204 K208 F209 | T25-Y29 VanDerWaalsContact O-CE2 3.28Å; T25-Y29 WeakPolarHBondContact O-CE2 3.49Å; F26-Y29 HydrophobicContact CD1-CD2 4.02Å; F26-Y29 PolarHBondContact O-N 3.43Å; W27-Y29 PolarHBondContact O-N 3.36Å; Y29-S202 VanDerWaalsContact CA-OG 3.24Å; Y29-S202 WeakPolarHBondContact CA-OG 3.5Å; Y29-S202 PolarHBondContact O-N 3.39Å; Y29-S202 PolarHBondContact O-OG 3.12Å; Y29-E204 HydrophobicContact CD1-CG 4.08Å; Y29-E204 HydrophobicContact CE1-CG 4.12Å; Y29-K208 HydrophobicContact CD1-CB 4.01Å; Y29-K208 HydrophobicContact CD1-CG 4.2Å; Y29-K208 HydrophobicContact CE1-CB 3.82Å; Y29-K208 HydrophobicContact CE1-CD 4.29Å; Y29-K208 HydrophobicContact CE1-CG 3.73Å; Y29-K208 HydrophobicContact CE2-CG 4.38Å; Y29-F209 HydrophobicContact CD1-CE2 4.5Å; Y29-F209 AromaticContact CD2-CE2 3.85Å; Y29-F209 HydrophobicContact CD2-CE2 3.85Å; Y29-F209 AromaticContact CD2-CZ 3.83Å; Y29-F209 HydrophobicContact CD2-CZ 3.83Å; Y29-F209 HydrophobicContact CE2-CZ 4.23Å; Y29-F209 AromaticContact CG-CE2 3.81Å; Y29-F209 HydrophobicContact CG-CE2 3.81Å; Y29-F209 HydrophobicContact CG-CZ 4.26Å |
| 30 | I | 98.2 | Very high | 97 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 122.4 | -176 | -55.7 | -60.7 | 0 | 0 | 0 | 109 | V17 F26 W27 V182 L192 L195 C199 | V17-I30 HydrophobicContact CG1-CB 4.07Å; V17-I30 HydrophobicContact CG1-CG2 3.63Å; F26-I30 PolarHBondContact O-N 3.15Å; W27-I30 PolarHBondContact O-N 3.33Å; W27-I30 VanDerWaalsContact O-O 3.05Å; I30-V182 HydrophobicContact CD1-CG2 3.81Å; I30-L192 HydrophobicContact CD1-CD1 4.17Å; I30-L195 HydrophobicContact CD1-CD1 3.68Å; I30-L195 HydrophobicContact CG1-CD1 4.21Å; I30-C199 HydrophobicContact CD1-CB 4.23Å; I30-C199 HydrophobicContact CG2-CB 3.63Å |
| 31 | D | 98 | Very high | 97.1 | Very high | 104 Ų | 104 | 53.9 Ų | 53.9 | 56% | 0.556 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.6 | -48.4 | -179.3 | -174.5 | 55.3 | 0 | 0 | 0 | 111.4 | V200 | D31-V200 HydrophobicContact CB-CB 4.2Å; D31-V200 HydrophobicContact CB-CG1 4.08Å; D31-V200 PolarHBondContact N-O 3.43Å |
| 32 | C | 98.2 | Very high | 97.2 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.034 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 164.4 | 177.9 | 70.5 | 0 | 0 | 0 | 0 | 111.7 | R13 C199 V200 | R13-C32 WeakPolarHBondContact O-CB 3.3Å; R13-C32 PolarHBondContact O-SG 3.17Å; R13-C32 VanDerWaalsContact O-SG 3.33Å; C32-C199 CarbonylContact O-C 3.55Å; C32-C199 VanDerWaalsContact O-CA 3.31Å; C32-C199 WeakPolarHBondContact O-CA 3.49Å; C32-V200 PolarHBondContact O-N 3.33Å; C32-V200 VanDerWaalsContact SG-CG2 3.52Å |
| 33 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 118 | 160.7 | 177.5 | 0 | 0 | 0 | 0 | 108.3 | G14 Y15 F20 I22 D197 | G14-V33 CarbonylContact C-O 3.51Å; G14-V33 VanDerWaalsContact CA-O 3.27Å; G14-V33 WeakPolarHBondContact CA-O 3.46Å; Y15-V33 HydrophobicContact CD2-CG1 4.38Å; Y15-V33 WeakPolarHBondContact CD2-O 3.48Å; Y15-V33 PolarHBondContact N-O 3.12Å; Y15-V33 PolarHBondContact O-N 2.79Å; F20-V33 HydrophobicContact CB-CG2 4.11Å; F20-V33 HydrophobicContact CD1-CG1 4.12Å; F20-V33 HydrophobicContact CD1-CG2 4.18Å; F20-V33 HydrophobicContact CD2-CB 4.14Å; F20-V33 HydrophobicContact CD2-CG1 4.49Å; F20-V33 HydrophobicContact CD2-CG2 3.81Å; F20-V33 HydrophobicContact CE1-CG1 3.86Å; F20-V33 HydrophobicContact CE2-CB 4.13Å; F20-V33 HydrophobicContact CE2-CG1 4.27Å; F20-V33 HydrophobicContact CE2-CG2 4.32Å; F20-V33 HydrophobicContact CG-CB 4.36Å; F20-V33 HydrophobicContact CG-CG1 4.44Å; F20-V33 HydrophobicContact CG-CG2 3.75Å; F20-V33 HydrophobicContact CZ-CB 4.31Å; F20-V33 HydrophobicContact CZ-CG1 3.94Å; I22-V33 HydrophobicContact CD1-CG2 3.85Å; V33-D197 HydrophobicContact CG1-CB 3.67Å; V33-D197 HydrophobicContact CG2-CB 4.48Å |
| 34 | L | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -42.4 | -179.3 | -169.8 | 65.3 | 0 | 0 | 0 | 111.7 | L8 F12 I176 V181 V198 V200 | L8-L34 HydrophobicContact CD1-CD1 3.99Å; L8-L34 HydrophobicContact CD1-CD2 4.28Å; L8-L34 HydrophobicContact CD1-CG 3.8Å; F12-L34 HydrophobicContact CD1-CD1 3.95Å; F12-L34 HydrophobicContact CE1-CD1 4.15Å; L34-I176 HydrophobicContact CD2-CB 4.23Å; L34-I176 HydrophobicContact CD2-CD1 4.27Å; L34-I176 HydrophobicContact CD2-CG2 4.16Å; L34-V181 HydrophobicContact CD2-CG1 3.86Å; L34-V198 WeakPolarHBondContact CA-O 3.41Å; L34-V198 WeakPolarHBondContact CB-O 3.38Å; L34-V198 PolarHBondContact N-O 3.36Å; L34-V200 HydrophobicContact CB-CG2 4.15Å; L34-V200 HydrophobicContact CD1-CG2 4.45Å; L34-V200 HydrophobicContact CD2-CG2 4.36Å |
| 35 | I | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 121.6 | -179.9 | -51.2 | 165.6 | 0 | 0 | 0 | 107.9 | L8 E39 V40 L157 F174 I176 V198 | L8-I35 HydrophobicContact CD1-CD1 4.16Å; L8-I35 HydrophobicContact CD1-CG1 3.87Å; I35-E39 HydrophobicContact CG2-CB 3.65Å; I35-V40 HydrophobicContact CG2-CG2 3.78Å; I35-L157 HydrophobicContact CD1-CD2 3.5Å; I35-L157 VanDerWaalsContact CD1-CD2 3.5Å; I35-F174 HydrophobicContact CD1-CB 3.89Å; I35-F174 HydrophobicContact CD1-CD1 3.95Å; I35-F174 HydrophobicContact CD1-CD2 3.88Å; I35-F174 HydrophobicContact CD1-CE1 4.46Å; I35-F174 HydrophobicContact CD1-CE2 4.4Å; I35-F174 HydrophobicContact CD1-CG 3.64Å; I35-F174 HydrophobicContact CG1-CD1 4.47Å; I35-F174 HydrophobicContact CG2-CD1 4.48Å; I35-F174 HydrophobicContact CG2-CE1 3.94Å; I35-F174 HydrophobicContact CG2-CE2 4.06Å; I35-F174 HydrophobicContact CG2-CZ 3.7Å; I35-I176 HydrophobicContact CD1-CG2 4.12Å; I35-V198 HydrophobicContact CB-CB 4.02Å; I35-V198 HydrophobicContact CB-CG2 4.3Å; I35-V198 PolarHBondContact N-O 3.35Å; I35-V198 PolarHBondContact O-N 3.12Å |
| 36 | S | 98.3 | Very high | 97.9 | Very high | 15 Ų | 15 | 44 Ų | 44 | 11% | 0.105 | 20% | 0.203 | C | C | . | . | trans | -69.2 | 154.6 | 176.6 | 65.2 | 0 | 0 | 0 | 0 | 112.3 | E38 E39 V40 D197 | S36-E38 PolarHBondContact O-N 2.79Å; S36-E39 VanDerWaalsContact CB-OE2 3.29Å; S36-E39 WeakPolarHBondContact CB-OE2 3.19Å; S36-E39 PolarHBondContact N-OE2 3.29Å; S36-E39 WeakPolarHBondContact O-CB 3.13Å; S36-E39 PolarHBondContact O-N 2.83Å; S36-E39 VanDerWaalsContact O-N 3.08Å; S36-E39 WeakPolarHBondContact OG-CB 3.18Å; S36-E39 VanDerWaalsContact OG-CD 3.3Å; S36-E39 VanDerWaalsContact OG-CG 3.23Å; S36-E39 WeakPolarHBondContact OG-CG 3.47Å; S36-E39 PolarHBondContact OG-N 2.89Å; S36-E39 VanDerWaalsContact OG-N 3.14Å; S36-E39 PolarHBondContact OG-OE2 2.76Å; S36-V40 PolarHBondContact O-N 3.13Å; S36-D197 VanDerWaalsContact CA-OD1 3.28Å; S36-D197 WeakPolarHBondContact CA-OD1 3.47Å | ||
| 37 | Q | 97.7 | Very high | 98 | Very high | 69 Ų | 69 | 41.1 Ų | 41.1 | 32% | 0.322 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -53.7 | -37.5 | 173 | -168.8 | -176.8 | 22.6 | 0 | 0 | 112.3 | V40 K41 Y184 N196 D197 | Q37-V40 PolarHBondContact O-N 3.15Å; Q37-K41 WeakPolarHBondContact O-CB 3.42Å; Q37-K41 PolarHBondContact O-N 2.84Å; Q37-Y184 HydrophobicContact CG-CE2 4.19Å; Q37-N196 WeakPolarHBondContact CB-O 3.46Å; Q37-D197 PolarHBondContact N-OD1 3.35Å |
| 38 | E | 97.7 | Very high | 98 | Very high | 86 Ų | 86 | 37.3 Ų | 37.3 | 40% | 0.402 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -70.5 | -36.5 | 179.1 | -70 | -58.3 | 140.8 | 0 | 0 | 112.5 | S36 K41 R42 | S36-E38 PolarHBondContact O-N 2.79Å; E38-K41 PolarHBondContact O-N 3.02Å; E38-R42 WeakPolarHBondContact O-CG 3.3Å; E38-R42 PolarHBondContact O-N 3.42Å |
| 39 | E | 98.1 | Very high | 97.9 | Very high | 49 Ų | 49 | 37.1 Ų | 37.1 | 23% | 0.229 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.8 | -44.9 | 171 | -75.5 | 162.8 | 129.1 | 0 | 0 | 110.9 | Y15 I35 S36 K41 R42 R43 F174 | Y15-E39 PolarHBondContact OH-OE1 3.1Å; I35-E39 HydrophobicContact CG2-CB 3.65Å; S36-E39 VanDerWaalsContact CB-OE2 3.29Å; S36-E39 WeakPolarHBondContact CB-OE2 3.19Å; S36-E39 PolarHBondContact N-OE2 3.29Å; S36-E39 WeakPolarHBondContact O-CB 3.13Å; S36-E39 PolarHBondContact O-N 2.83Å; S36-E39 VanDerWaalsContact O-N 3.08Å; S36-E39 WeakPolarHBondContact OG-CB 3.18Å; S36-E39 VanDerWaalsContact OG-CD 3.3Å; S36-E39 VanDerWaalsContact OG-CG 3.23Å; S36-E39 WeakPolarHBondContact OG-CG 3.47Å; S36-E39 PolarHBondContact OG-N 2.89Å; S36-E39 VanDerWaalsContact OG-N 3.14Å; S36-E39 PolarHBondContact OG-OE2 2.76Å; E39-K41 VanDerWaalsContact C-N 3.29Å; E39-K41 PolarHBondContact O-N 3.41Å; E39-R42 PolarHBondContact O-N 3.47Å; E39-R43 VanDerWaalsContact O-CB 3.32Å; E39-R43 WeakPolarHBondContact O-CB 3.21Å; E39-R43 PolarHBondContact O-N 2.8Å; E39-F174 HydrophobicContact CB-CZ 4.34Å |
| 40 | V | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.2 | -44 | 174.2 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | I35 S36 Q37 R43 T44 L75 L156 F174 Y184 V198 | I35-V40 HydrophobicContact CG2-CG2 3.78Å; S36-V40 PolarHBondContact O-N 3.13Å; Q37-V40 PolarHBondContact O-N 3.15Å; V40-R43 PolarHBondContact O-N 3.39Å; V40-T44 VanDerWaalsContact O-CB 3.3Å; V40-T44 WeakPolarHBondContact O-CB 3.34Å; V40-T44 PolarHBondContact O-N 3.42Å; V40-T44 PolarHBondContact O-OG1 3.09Å; V40-L75 HydrophobicContact CG1-CD2 4.26Å; V40-L156 HydrophobicContact CG1-CD1 3.85Å; V40-L156 HydrophobicContact CG1-CD2 4.11Å; V40-L156 HydrophobicContact CG2-CD1 4.46Å; V40-L156 HydrophobicContact CG2-CD2 4.41Å; V40-F174 HydrophobicContact CG2-CE2 4.43Å; V40-Y184 HydrophobicContact CB-CE1 4.44Å; V40-Y184 HydrophobicContact CG1-CD1 4.24Å; V40-Y184 HydrophobicContact CG1-CE1 3.49Å; V40-Y184 VanDerWaalsContact CG1-CE1 3.49Å; V40-Y184 HydrophobicContact CG1-CE2 4.31Å; V40-Y184 VanDerWaalsContact CG1-CZ 3.5Å; V40-Y184 WeakPolarHBondContact CG1-OH 3.31Å; V40-V198 HydrophobicContact CG2-CG2 4.25Å |
| 41 | K | 98.2 | Very high | 97.8 | Very high | 105 Ų | 105 | 35.9 Ų | 35.9 | 46% | 0.457 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.9 | -51.6 | 178.5 | -173.6 | 177.7 | 177.2 | -176 | 0 | 112.6 | Q37 E38 E39 R43 T44 D45 L75 | Q37-K41 WeakPolarHBondContact O-CB 3.42Å; Q37-K41 PolarHBondContact O-N 2.84Å; E38-K41 PolarHBondContact O-N 3.02Å; E39-K41 VanDerWaalsContact C-N 3.29Å; E39-K41 PolarHBondContact O-N 3.41Å; K41-R43 VanDerWaalsContact C-N 3.3Å; K41-R43 PolarHBondContact O-N 2.66Å; K41-T44 PolarHBondContact O-N 3.26Å; K41-D45 PolarHBondContact O-N 2.83Å; K41-D45 VanDerWaalsContact O-N 3.11Å; K41-L75 HydrophobicContact CB-CD2 4.42Å; K41-L75 HydrophobicContact CG-CD1 4.42Å |
| 42 | R | 97.9 | Very high | 97.7 | Very high | 163 Ų | 163 | 32 Ų | 32 | 62% | 0.615 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -60.2 | -42.9 | 177.8 | -70.5 | 178.8 | -168.4 | 120.1 | 2.9 | 111.2 | E38 E39 D45 V46 | E38-R42 WeakPolarHBondContact O-CG 3.3Å; E38-R42 PolarHBondContact O-N 3.42Å; E39-R42 PolarHBondContact O-N 3.47Å; R42-D45 WeakPolarHBondContact O-CB 3.48Å; R42-D45 PolarHBondContact O-N 2.96Å; R42-V46 PolarHBondContact O-N 2.78Å |
| 43 | R | 98.1 | Very high | 97.5 | Very high | 16 Ų | 16 | 36.9 Ų | 36.9 | 6% | 0.06 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.3 | -40.8 | -178.9 | -176.3 | 56.5 | -174.9 | 159.3 | 12.9 | 112.2 | G4 E39 V40 K41 D45 V46 L47 V172 G173 F174 | G4-R43 VanDerWaalsContact C-NH2 3.33Å; G4-R43 PolarHBondContact O-NH1 2.8Å; G4-R43 PolarHBondContact O-NH2 2.95Å; E39-R43 VanDerWaalsContact O-CB 3.32Å; E39-R43 WeakPolarHBondContact O-CB 3.21Å; E39-R43 PolarHBondContact O-N 2.8Å; V40-R43 PolarHBondContact O-N 3.39Å; K41-R43 VanDerWaalsContact C-N 3.3Å; K41-R43 PolarHBondContact O-N 2.66Å; R43-D45 VanDerWaalsContact C-N 3.26Å; R43-D45 PolarHBondContact O-N 3.41Å; R43-V46 WeakPolarHBondContact O-CB 3.17Å; R43-V46 PolarHBondContact O-N 3.16Å; R43-V46 VanDerWaalsContact O-N 3.14Å; R43-L47 WeakPolarHBondContact O-CG 3.37Å; R43-L47 PolarHBondContact O-N 3.29Å; R43-V172 PolarHBondContact NH2-O 2.89Å; R43-G173 PolarHBondContact NE-O 2.89Å; R43-F174 HydrophobicContact CB-CE1 4.37Å; R43-F174 HydrophobicContact CB-CE2 3.64Å; R43-F174 HydrophobicContact CB-CZ 3.45Å; R43-F174 VanDerWaalsContact CB-CZ 3.45Å; R43-F174 HydrophobicContact CG-CD2 4.24Å; R43-F174 HydrophobicContact CG-CE1 4.42Å; R43-F174 HydrophobicContact CG-CE2 3.63Å; R43-F174 HydrophobicContact CG-CZ 3.74Å |
| 44 | T | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -35.6 | 177.1 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | V40 K41 V46 L47 T48 F72 L75 F76 L79 | V40-T44 VanDerWaalsContact O-CB 3.3Å; V40-T44 WeakPolarHBondContact O-CB 3.34Å; V40-T44 PolarHBondContact O-N 3.42Å; V40-T44 PolarHBondContact O-OG1 3.09Å; K41-T44 PolarHBondContact O-N 3.26Å; T44-V46 VanDerWaalsContact C-N 3.33Å; T44-V46 PolarHBondContact O-N 3.04Å; T44-L47 PolarHBondContact O-N 3.45Å; T44-T48 HydrophobicContact CG2-CG2 4.41Å; T44-T48 WeakPolarHBondContact O-CG2 3.08Å; T44-T48 PolarHBondContact O-N 3.45Å; T44-T48 PolarHBondContact O-OG1 2.71Å; T44-F72 HydrophobicContact CG2-CD2 4.35Å; T44-F72 HydrophobicContact CG2-CE2 3.81Å; T44-F72 WeakPolarHBondContact OG1-CE2 3.41Å; T44-L75 HydrophobicContact CG2-CD2 3.99Å; T44-L75 HydrophobicContact CG2-CG 3.95Å; T44-F76 HydrophobicContact CG2-CB 3.89Å; T44-F76 HydrophobicContact CG2-CD2 3.96Å; T44-F76 HydrophobicContact CG2-CG 4.38Å; T44-L79 HydrophobicContact CG2-CD1 4.03Å |
| 45 | D | 97.6 | Very high | 97.3 | Very high | 53 Ų | 53 | 40.7 Ų | 40.7 | 28% | 0.283 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60.5 | -42 | 174.2 | -167.5 | 55 | 0 | 0 | 0 | 112.5 | K41 R42 R43 T48 R49 L79 R83 | K41-D45 PolarHBondContact O-N 2.83Å; K41-D45 VanDerWaalsContact O-N 3.11Å; R42-D45 WeakPolarHBondContact O-CB 3.48Å; R42-D45 PolarHBondContact O-N 2.96Å; R43-D45 VanDerWaalsContact C-N 3.26Å; R43-D45 PolarHBondContact O-N 3.41Å; D45-T48 PolarHBondContact O-OG1 3.03Å; D45-R49 PolarHBondContact O-N 3.12Å; D45-R49 VanDerWaalsContact O-N 3.16Å; D45-L79 HydrophobicContact CB-CD1 4.1Å; D45-R83 PolarHBondContact O-NH2 3.19Å; D45-R83 VanDerWaalsContact O-NH2 3.14Å; D45-R83 IonicContact OD1-CZ 2.72Å; D45-R83 IonicContact OD1-NE 3.52Å; D45-R83 IonicContact OD1-NH2 2.82Å; D45-R83 PolarHBondContact OD1-NH2 3.12Å; D45-R83 IonicContact OD2-NH2 3.68Å; D45-R83 PolarHBondContact OD2-NH2 2.99Å; D45-R83 VanDerWaalsContact OD2-NH2 3.12Å |
| 46 | V | 97.6 | Very high | 97.1 | Very high | 10 Ų | 10 | 42 Ų | 42 | 6% | 0.061 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 174.4 | 178.3 | 0 | 0 | 0 | 0 | 111.3 | M1 R42 R43 T44 T48 R49 D50 | M1-V46 HydrophobicContact CB-CG2 4.4Å; M1-V46 HydrophobicContact CG-CG2 4.31Å; M1-V46 HydrophobicContact SD-CG2 3.55Å; M1-V46 VanDerWaalsContact SD-CG2 3.55Å; R42-V46 PolarHBondContact O-N 2.78Å; R43-V46 WeakPolarHBondContact O-CB 3.17Å; R43-V46 PolarHBondContact O-N 3.16Å; R43-V46 VanDerWaalsContact O-N 3.14Å; T44-V46 VanDerWaalsContact C-N 3.33Å; T44-V46 PolarHBondContact O-N 3.04Å; V46-T48 VanDerWaalsContact C-N 3.34Å; V46-T48 PolarHBondContact O-N 2.97Å; V46-R49 WeakPolarHBondContact O-CB 3.29Å; V46-R49 PolarHBondContact O-N 3.26Å; V46-D50 PolarHBondContact O-N 2.99Å |
| 47 | L | 97.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 179.7 | -66.7 | 173.8 | 0 | 0 | 0 | 112.1 | R43 T44 R49 D50 V51 F72 F76 V154 F171 | R43-L47 WeakPolarHBondContact O-CG 3.37Å; R43-L47 PolarHBondContact O-N 3.29Å; T44-L47 PolarHBondContact O-N 3.45Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 2.91Å; L47-D50 PolarHBondContact O-N 3.5Å; L47-V51 WeakPolarHBondContact O-CG2 3.38Å; L47-V51 PolarHBondContact O-N 3.35Å; L47-F72 HydrophobicContact CD1-CE2 4.27Å; L47-F72 HydrophobicContact CD1-CZ 3.91Å; L47-F76 HydrophobicContact CB-CE2 4.1Å; L47-V154 HydrophobicContact CD1-CG1 3.94Å; L47-F171 HydrophobicContact CD2-CB 4.19Å |
| 48 | T | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.7 | -31.6 | 178.9 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | T44 D45 V46 Q52 F76 L79 L80 R83 | T44-T48 HydrophobicContact CG2-CG2 4.41Å; T44-T48 WeakPolarHBondContact O-CG2 3.08Å; T44-T48 PolarHBondContact O-N 3.45Å; T44-T48 PolarHBondContact O-OG1 2.71Å; D45-T48 PolarHBondContact O-OG1 3.03Å; V46-T48 VanDerWaalsContact C-N 3.34Å; V46-T48 PolarHBondContact O-N 2.97Å; T48-Q52 VanDerWaalsContact O-CB 3.22Å; T48-Q52 WeakPolarHBondContact O-CB 3.43Å; T48-Q52 PolarHBondContact O-N 3.09Å; T48-F76 HydrophobicContact CG2-CD1 4.25Å; T48-F76 HydrophobicContact CG2-CD2 3.52Å; T48-F76 HydrophobicContact CG2-CE1 4.27Å; T48-F76 HydrophobicContact CG2-CE2 3.53Å; T48-F76 HydrophobicContact CG2-CG 3.87Å; T48-F76 HydrophobicContact CG2-CZ 3.9Å; T48-F76 WeakPolarHBondContact CG2-O 3.19Å; T48-L79 HydrophobicContact CG2-CB 3.92Å; T48-L80 HydrophobicContact CG2-CB 4.08Å; T48-R83 PolarHBondContact OG1-NE 3.37Å |
| 49 | R | 96.1 | Very high | 96.6 | Very high | 53 Ų | 53 | 46 Ų | 46 | 20% | 0.2 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.9 | -49.6 | 170.5 | -174.8 | -164.6 | 65.1 | -144.3 | -5.5 | 110.8 | D45 V46 L47 V51 Q52 E53 | D45-R49 PolarHBondContact O-N 3.12Å; D45-R49 VanDerWaalsContact O-N 3.16Å; V46-R49 WeakPolarHBondContact O-CB 3.29Å; V46-R49 PolarHBondContact O-N 3.26Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 2.91Å; R49-V51 VanDerWaalsContact C-N 3.32Å; R49-V51 PolarHBondContact O-N 3.1Å; R49-Q52 PolarHBondContact O-N 3.05Å; R49-Q52 VanDerWaalsContact O-N 3.12Å; R49-E53 WeakPolarHBondContact CD-OE1 3.43Å; R49-E53 HydrophobicContact CG-CG 4.49Å; R49-E53 IonicContact NE-OE1 3.68Å; R49-E53 WeakPolarHBondContact O-CG 3.48Å; R49-E53 PolarHBondContact O-N 3.49Å |
| 50 | D | 96.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 43.7 Ų | 43.7 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64 | -38.9 | -176.7 | -65.3 | -9.7 | 0 | 0 | 0 | 111.4 | V46 L47 L54 F171 | V46-D50 PolarHBondContact O-N 2.99Å; L47-D50 PolarHBondContact O-N 3.5Å; D50-L54 PolarHBondContact O-N 3.04Å; D50-F171 HydrophobicContact CB-CD1 4.38Å; D50-F171 HydrophobicContact CB-CE1 4.14Å |
| 51 | V | 96.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.1 | -41.1 | 172.7 | 165.8 | 0 | 0 | 0 | 0 | 111.6 | L47 R49 L54 Y55 L60 F76 L80 L124 V154 F171 | L47-V51 WeakPolarHBondContact O-CG2 3.38Å; L47-V51 PolarHBondContact O-N 3.35Å; R49-V51 VanDerWaalsContact C-N 3.32Å; R49-V51 PolarHBondContact O-N 3.1Å; V51-L54 PolarHBondContact O-N 3.3Å; V51-Y55 HydrophobicContact CG1-CD2 3.83Å; V51-Y55 HydrophobicContact CG1-CE2 4.13Å; V51-Y55 WeakPolarHBondContact O-CD2 3.22Å; V51-Y55 PolarHBondContact O-N 3.49Å; V51-L60 HydrophobicContact CG1-CD2 4.37Å; V51-F76 HydrophobicContact CB-CZ 4.25Å; V51-F76 HydrophobicContact CG1-CZ 4.26Å; V51-F76 HydrophobicContact CG2-CZ 4.02Å; V51-L80 HydrophobicContact CG1-CD1 4.28Å; V51-L124 HydrophobicContact CG1-CD2 3.69Å; V51-L124 HydrophobicContact CG2-CD2 4.16Å; V51-V154 HydrophobicContact CG2-CG2 4.01Å; V51-F171 HydrophobicContact CG2-CD1 4.22Å; V51-F171 HydrophobicContact CG2-CD2 4.02Å; V51-F171 HydrophobicContact CG2-CE1 4.11Å; V51-F171 HydrophobicContact CG2-CE2 3.91Å; V51-F171 HydrophobicContact CG2-CG 4.16Å; V51-F171 HydrophobicContact CG2-CZ 3.95Å |
| 52 | Q | 95.4 | Very high | 96.1 | Very high | 22 Ų | 22 | 38.7 Ų | 38.7 | 10% | 0.103 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.6 | -38 | 178.4 | -177.4 | 50.9 | 47.4 | 0 | 0 | 112.6 | T48 R49 L54 G56 L80 R83 R84 I87 | T48-Q52 VanDerWaalsContact O-CB 3.22Å; T48-Q52 WeakPolarHBondContact O-CB 3.43Å; T48-Q52 PolarHBondContact O-N 3.09Å; R49-Q52 PolarHBondContact O-N 3.05Å; R49-Q52 VanDerWaalsContact O-N 3.12Å; Q52-L54 VanDerWaalsContact C-N 3.25Å; Q52-L54 PolarHBondContact O-N 3.44Å; Q52-G56 PolarHBondContact NE2-O 3.34Å; Q52-G56 WeakPolarHBondContact O-CA 3.24Å; Q52-G56 PolarHBondContact O-N 3.15Å; Q52-L80 HydrophobicContact CB-CD1 4.41Å; Q52-R83 HydrophobicContact CG-CB 4.19Å; Q52-R84 VanDerWaalsContact OE1-CD 3.3Å; Q52-I87 VanDerWaalsContact CD-CD1 3.49Å; Q52-I87 HydrophobicContact CG-CD1 4.2Å |
| 53 | E | 94.9 | Very high | 96 | Very high | 108 Ų | 108 | 31 Ų | 31 | 51% | 0.505 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -60.2 | -38 | 172.8 | -76.9 | 175.9 | -162.7 | 0 | 0 | 111.4 | K3 R49 | K3-E53 WeakPolarHBondContact CE-OE2 3.33Å; K3-E53 IonicContact NZ-OE2 2.83Å; K3-E53 PolarHBondContact NZ-OE2 3.38Å; R49-E53 WeakPolarHBondContact CD-OE1 3.43Å; R49-E53 HydrophobicContact CG-CG 4.49Å; R49-E53 IonicContact NE-OE1 3.68Å; R49-E53 WeakPolarHBondContact O-CG 3.48Å; R49-E53 PolarHBondContact O-N 3.49Å |
| 54 | L | 96.2 | Very high | 95.9 | Very high | 77 Ų | 77 | 30.2 Ų | 30.2 | 40% | 0.403 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -72.7 | -47.4 | -179.3 | 176.4 | 65.6 | 0 | 0 | 0 | 113.3 | D50 V51 Q52 F171 | D50-L54 PolarHBondContact O-N 3.04Å; V51-L54 PolarHBondContact O-N 3.3Å; Q52-L54 VanDerWaalsContact C-N 3.25Å; Q52-L54 PolarHBondContact O-N 3.44Å; L54-F171 HydrophobicContact CD2-CE2 4.19Å; L54-F171 HydrophobicContact CD2-CZ 3.7Å |
| 55 | Y | 96 | Very high | 95.6 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -91.4 | -17 | -173.7 | -69.5 | -66.6 | 0 | 0 | 0 | 113.9 | V51 T57 D58 L60 H122 L124 R152 | V51-Y55 HydrophobicContact CG1-CD2 3.83Å; V51-Y55 HydrophobicContact CG1-CE2 4.13Å; V51-Y55 WeakPolarHBondContact O-CD2 3.22Å; V51-Y55 PolarHBondContact O-N 3.49Å; Y55-T57 PolarHBondContact O-N 2.93Å; Y55-T57 VanDerWaalsContact O-N 3.08Å; Y55-D58 VanDerWaalsContact O-CB 3.29Å; Y55-D58 WeakPolarHBondContact O-CB 3.37Å; Y55-D58 PolarHBondContact O-N 3.48Å; Y55-L60 HydrophobicContact CD1-CD1 4.07Å; Y55-L60 HydrophobicContact CD2-CD1 3.8Å; Y55-L60 HydrophobicContact CD2-CD2 4.1Å; Y55-L60 HydrophobicContact CE1-CD1 4.06Å; Y55-L60 HydrophobicContact CE2-CD1 3.76Å; Y55-L60 HydrophobicContact CG-CD1 3.95Å; Y55-H122 HydrophobicContact CD1-CB 3.83Å; Y55-H122 AromaticContact CD1-CG 3.88Å; Y55-H122 HydrophobicContact CE1-CB 3.59Å; Y55-H122 AromaticContact CE1-CG 3.79Å; Y55-H122 AromaticContact CE1-ND1 3.71Å; Y55-L124 HydrophobicContact CE2-CD1 4.38Å; Y55-R152 PolarHBondContact OH-NH1 3.35Å |
| 56 | G | 94.6 | Very high | 95.4 | Very high | 28 Ų | 28 | 30 Ų | 30 | 29% | 0.289 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | -119.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q52 R84 I87 | Q52-G56 PolarHBondContact NE2-O 3.34Å; Q52-G56 WeakPolarHBondContact O-CA 3.24Å; Q52-G56 PolarHBondContact O-N 3.15Å; G56-R84 PolarHBondContact O-NH1 2.9Å; G56-R84 VanDerWaalsContact O-NH1 3.14Å; G56-I87 WeakPolarHBondContact O-CG2 3.34Å |
| 57 | T | 95.1 | Very high | 95.1 | Very high | 103 Ų | 103 | 31.8 Ų | 31.8 | 63% | 0.632 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91 | 6.2 | -178.6 | 53.1 | 0 | 0 | 0 | 0 | 114.5 | Y55 I87 A89 | Y55-T57 PolarHBondContact O-N 2.93Å; Y55-T57 VanDerWaalsContact O-N 3.08Å; T57-I87 HydrophobicContact CG2-CG2 3.56Å; T57-A89 WeakPolarHBondContact O-CB 3.44Å |
| 58 | D | 94.9 | Very high | 94.9 | Very high | 73 Ų | 73 | 32.1 Ų | 32.1 | 39% | 0.39 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -74.2 | 146.2 | 178.8 | -65 | -37.3 | 0 | 0 | 0 | 111.5 | Y55 R84 H122 | Y55-D58 VanDerWaalsContact O-CB 3.29Å; Y55-D58 WeakPolarHBondContact O-CB 3.37Å; Y55-D58 PolarHBondContact O-N 3.48Å; D58-R84 PolarHBondContact O-NH2 2.97Å; D58-H122 IonicContact OD2-NE2 3.67Å |
| 59 | N | 93.3 | Very high | 94.9 | Very high | 79 Ų | 79 | 32.1 Ų | 32.1 | 42% | 0.422 | 18% | 0.175 | S | C | . | . | trans | -64.9 | 136.1 | 169.8 | -70.8 | -24.4 | 0 | 0 | 0 | 110 | A90 | N59-A90 WeakPolarHBondContact CA-O 3.39Å; N59-A90 WeakPolarHBondContact OD1-CB 3.23Å; N59-A90 PolarHBondContact OD1-N 3.41Å | ||
| 60 | L | 95.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 125.5 | -173.8 | -172.4 | 65.8 | 0 | 0 | 0 | 111.3 | V51 Y55 V62 L80 A90 T91 F92 H122 L124 | V51-L60 HydrophobicContact CG1-CD2 4.37Å; Y55-L60 HydrophobicContact CD1-CD1 4.07Å; Y55-L60 HydrophobicContact CD2-CD1 3.8Å; Y55-L60 HydrophobicContact CD2-CD2 4.1Å; Y55-L60 HydrophobicContact CE1-CD1 4.06Å; Y55-L60 HydrophobicContact CE2-CD1 3.76Å; Y55-L60 HydrophobicContact CG-CD1 3.95Å; L60-V62 HydrophobicContact CD2-CG2 3.89Å; L60-V62 HydrophobicContact CG-CG2 3.91Å; L60-L80 HydrophobicContact CD2-CD2 4.13Å; L60-A90 PolarHBondContact N-O 3.38Å; L60-A90 VanDerWaalsContact N-O 3.09Å; L60-T91 CarbonylContact O-C 3.5Å; L60-T91 VanDerWaalsContact O-CA 3.24Å; L60-T91 WeakPolarHBondContact O-CA 3.39Å; L60-T91 WeakPolarHBondContact O-CG2 3.49Å; L60-F92 PolarHBondContact O-N 2.93Å; L60-H122 HydrophobicContact CD1-CB 3.98Å; L60-L124 HydrophobicContact CD1-CB 4.22Å; L60-L124 HydrophobicContact CD2-CD2 4.45Å |
| 61 | G | 94.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 130.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | F92 M121 H122 T123 L124 | G61-F92 CarbonylContact C-O 3.5Å; G61-M121 PolarHBondContact N-SD 3.03Å; G61-M121 VanDerWaalsContact N-SD 3.39Å; G61-H122 PolarHBondContact N-O 2.74Å; G61-T123 CarbonylContact O-C 3.57Å; G61-T123 WeakPolarHBondContact O-CA 3.43Å; G61-L124 PolarHBondContact O-N 2.79Å |
| 62 | V | 95.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 120.7 | 179.4 | -168.5 | 0 | 0 | 0 | 0 | 109.5 | L60 F73 L80 T91 F92 F93 D94 L124 I126 | L60-V62 HydrophobicContact CD2-CG2 3.89Å; L60-V62 HydrophobicContact CG-CG2 3.91Å; V62-F73 HydrophobicContact CB-CE2 4.46Å; V62-F73 HydrophobicContact CG1-CD2 4.37Å; V62-F73 HydrophobicContact CG1-CE2 3.8Å; V62-L80 HydrophobicContact CG2-CD2 4.41Å; V62-T91 HydrophobicContact CG2-CG2 3.76Å; V62-F92 PolarHBondContact N-O 3.29Å; V62-F93 HydrophobicContact CB-CD1 3.94Å; V62-F93 HydrophobicContact CB-CE1 4.14Å; V62-F93 HydrophobicContact CG2-CE1 4.3Å; V62-F93 WeakPolarHBondContact O-CA 3.33Å; V62-D94 PolarHBondContact O-N 3.43Å; V62-D94 VanDerWaalsContact O-N 3.08Å; V62-L124 CarbonylContact C-O 3.51Å; V62-L124 VanDerWaalsContact CA-O 3.32Å; V62-L124 WeakPolarHBondContact CA-O 3.42Å; V62-I126 HydrophobicContact CG1-CD1 4.05Å; V62-I126 HydrophobicContact CG1-CG1 3.57Å |
| 63 | I | 94.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122.3 | -175.5 | -58.9 | 176.9 | 0 | 0 | 0 | 109.4 | D94 L96 V114 F118 T123 L124 I126 V143 | I63-D94 CarbonylContact C-O 3.54Å; I63-D94 WeakPolarHBondContact CA-O 3.41Å; I63-D94 HydrophobicContact CG1-CB 4.46Å; I63-L96 HydrophobicContact CG2-CB 4.04Å; I63-L96 HydrophobicContact CG2-CD1 3.71Å; I63-L96 HydrophobicContact CG2-CG 3.6Å; I63-V114 HydrophobicContact CD1-CG1 4.13Å; I63-F118 HydrophobicContact CD1-CD1 4.23Å; I63-F118 HydrophobicContact CD1-CE1 4.12Å; I63-F118 HydrophobicContact CD1-CG 4.45Å; I63-F118 HydrophobicContact CD1-CZ 4.29Å; I63-F118 HydrophobicContact CG1-CD1 4.3Å; I63-F118 HydrophobicContact CG1-CE1 3.7Å; I63-F118 HydrophobicContact CG1-CE2 4.38Å; I63-F118 HydrophobicContact CG1-CZ 3.78Å; I63-T123 HydrophobicContact CD1-CG2 3.69Å; I63-T123 HydrophobicContact CG1-CG2 4.18Å; I63-L124 PolarHBondContact N-O 3.35Å; I63-I126 PolarHBondContact O-N 3.44Å; I63-V143 HydrophobicContact CD1-CG1 4.21Å; I63-V143 HydrophobicContact CD1-CG2 4.09Å |
| 64 | C | 95.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131.7 | 170.8 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | F73 D94 F95 L96 | C64-F73 HydrophobicContact CB-CB 4.12Å; C64-F73 HydrophobicContact CB-CD1 3.99Å; C64-F73 HydrophobicContact CB-CD2 3.4Å; C64-F73 HydrophobicContact CB-CE1 4.23Å; C64-F73 HydrophobicContact CB-CE2 3.65Å; C64-F73 HydrophobicContact CB-CG 3.57Å; C64-F73 HydrophobicContact CB-CZ 4.06Å; C64-F73 VanDerWaalsContact SG-CB 3.53Å; C64-D94 PolarHBondContact N-O 2.99Å; C64-F95 HydrophobicContact CB-CD1 3.53Å; C64-F95 HydrophobicContact CB-CE1 3.89Å; C64-F95 HydrophobicContact CB-CG 4.39Å; C64-F95 WeakPolarHBondContact O-CA 3.43Å; C64-L96 PolarHBondContact O-N 3.12Å |
| 65 | V | 93.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 111.8 | 168.3 | -173.4 | 0 | 0 | 0 | 0 | 110 | A69 L96 M98 I125 I126 E127 L139 | V65-A69 WeakPolarHBondContact O-CB 3.38Å; V65-A69 PolarHBondContact O-N 2.87Å; V65-L96 CarbonylContact C-O 3.58Å; V65-L96 WeakPolarHBondContact CA-O 3.43Å; V65-M98 HydrophobicContact CG1-CE 3.78Å; V65-I125 HydrophobicContact CG2-CG2 3.64Å; V65-I126 PolarHBondContact N-O 2.77Å; V65-E127 VanDerWaalsContact CB-OE1 3.28Å; V65-E127 WeakPolarHBondContact CB-OE1 3.22Å; V65-E127 VanDerWaalsContact CG1-OE1 3.27Å; V65-E127 WeakPolarHBondContact CG1-OE1 3.22Å; V65-E127 WeakPolarHBondContact CG1-OE2 3.42Å; V65-L139 HydrophobicContact CG1-CD1 4.48Å; V65-L139 HydrophobicContact CG2-CD1 3.64Å; V65-L139 HydrophobicContact CG2-CD2 4.46Å |
| 66 | L | 92.6 | Very high | 95.6 | Very high | 44 Ų | 44 | 31 Ų | 31 | 23% | 0.23 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 149.2 | -179.9 | -67.7 | -178.6 | 0 | 0 | 0 | 111.9 | F70 F95 L96 R97 M98 | L66-F70 HydrophobicContact CD2-CB 3.93Å; L66-F95 HydrophobicContact CD1-CB 3.81Å; L66-F95 HydrophobicContact CD1-CD1 4.14Å; L66-F95 HydrophobicContact CD1-CG 4.35Å; L66-F95 HydrophobicContact CD2-CD1 4.23Å; L66-F95 HydrophobicContact CG-CB 4.27Å; L66-F95 HydrophobicContact CG-CD1 4.24Å; L66-L96 PolarHBondContact N-O 2.67Å; L66-R97 HydrophobicContact CB-CB 4.34Å; L66-R97 HydrophobicContact CB-CG 4.35Å; L66-M98 PolarHBondContact O-N 2.97Å |
| 67 | N | 91.5 | Very high | 95.7 | Very high | 48 Ų | 48 | 30.5 Ų | 30.5 | 26% | 0.257 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -86.2 | -28.2 | 0.4 | -69.7 | -18 | 0 | 0 | 0 | 112.5 | A69 F70 R97 R193 | N67-A69 PolarHBondContact O-N 2.81Å; N67-F70 VanDerWaalsContact O-CD1 3.29Å; N67-F70 WeakPolarHBondContact O-CD1 3.38Å; N67-F70 PolarHBondContact O-N 2.72Å; N67-R97 PolarHBondContact ND2-NH2 3.14Å; N67-R193 PolarHBondContact O-NH1 3.13Å |
| 68 | G | 93.3 | Very high | 95.9 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 8% | 0.082 | 16% | 0.157 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -39.5 | -57.5 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115 | F70 D128 R193 | G68-F70 VanDerWaalsContact C-N 3.28Å; G68-F70 PolarHBondContact O-N 2.63Å; G68-D128 WeakPolarHBondContact CA-OD2 3.38Å; G68-R193 VanDerWaalsContact N-NH1 3.12Å |
| 69 | A | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -2.9 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | V65 N67 R71 F72 F73 I126 D128 | V65-A69 WeakPolarHBondContact O-CB 3.38Å; V65-A69 PolarHBondContact O-N 2.87Å; N67-A69 PolarHBondContact O-N 2.81Å; A69-R71 VanDerWaalsContact C-N 3.29Å; A69-R71 PolarHBondContact O-N 2.78Å; A69-R71 VanDerWaalsContact O-N 3.14Å; A69-F72 PolarHBondContact O-N 2.82Å; A69-F72 VanDerWaalsContact O-N 3.14Å; A69-F73 VanDerWaalsContact O-CB 3.22Å; A69-F73 WeakPolarHBondContact O-CB 3.45Å; A69-F73 PolarHBondContact O-N 3.05Å; A69-I126 WeakPolarHBondContact CB-O 3.5Å; A69-D128 HydrophobicContact CB-CB 4.16Å |
| 70 | F | 96.7 | Very high | 96.2 | Very high | 84 Ų | 84 | 24 Ų | 24 | 37% | 0.368 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -57.8 | -37.9 | -168.5 | 88.1 | -82 | 0 | 0 | 0 | 114 | L66 N67 G68 S74 R193 | L66-F70 HydrophobicContact CD2-CB 3.93Å; N67-F70 VanDerWaalsContact O-CD1 3.29Å; N67-F70 WeakPolarHBondContact O-CD1 3.38Å; N67-F70 PolarHBondContact O-N 2.72Å; G68-F70 VanDerWaalsContact C-N 3.28Å; G68-F70 PolarHBondContact O-N 2.63Å; F70-S74 WeakPolarHBondContact O-CB 3.42Å; F70-S74 PolarHBondContact O-N 2.91Å; F70-S74 PolarHBondContact O-OG 3.47Å; F70-R193 HydrophobicContact CE1-CG 4.14Å |
| 71 | R | 97.7 | Very high | 96.2 | Very high | 76 Ų | 76 | 26.6 Ų | 26.6 | 29% | 0.287 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -67.9 | -50.8 | 177.9 | -75.2 | -72.2 | -63.5 | -168.4 | -7.8 | 111 | A69 S74 L75 Y184 | A69-R71 VanDerWaalsContact C-N 3.29Å; A69-R71 PolarHBondContact O-N 2.78Å; A69-R71 VanDerWaalsContact O-N 3.14Å; R71-S74 PolarHBondContact O-N 2.82Å; R71-L75 PolarHBondContact O-N 3.31Å; R71-L75 VanDerWaalsContact O-N 3.16Å; R71-Y184 HydrophobicContact CB-CD1 4.24Å; R71-Y184 HydrophobicContact CB-CE1 4.1Å; R71-Y184 HydrophobicContact CB-CG 4.49Å; R71-Y184 WeakPolarHBondContact CB-O 3.42Å |
| 72 | F | 98.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -46.5 | 178.1 | 177 | -132.5 | 0 | 0 | 0 | 111.4 | T44 L47 A69 S74 L75 F76 I126 V154 L156 Y184 | T44-F72 HydrophobicContact CG2-CD2 4.35Å; T44-F72 HydrophobicContact CG2-CE2 3.81Å; T44-F72 WeakPolarHBondContact OG1-CE2 3.41Å; L47-F72 HydrophobicContact CD1-CE2 4.27Å; L47-F72 HydrophobicContact CD1-CZ 3.91Å; A69-F72 PolarHBondContact O-N 2.82Å; A69-F72 VanDerWaalsContact O-N 3.14Å; F72-S74 PolarHBondContact O-N 2.82Å; F72-L75 PolarHBondContact O-N 3.25Å; F72-F76 HydrophobicContact CE2-CB 4.41Å; F72-F76 HydrophobicContact CE2-CD2 4.32Å; F72-F76 HydrophobicContact CZ-CD2 4.1Å; F72-F76 WeakPolarHBondContact O-CB 3.33Å; F72-F76 PolarHBondContact O-N 2.8Å; F72-I126 HydrophobicContact CD1-CG2 3.47Å; F72-I126 VanDerWaalsContact CD1-CG2 3.47Å; F72-I126 HydrophobicContact CE1-CG2 3.63Å; F72-I126 HydrophobicContact CG-CG2 4.4Å; F72-V154 HydrophobicContact CE1-CG1 3.93Å; F72-V154 HydrophobicContact CZ-CG1 3.72Å; F72-L156 HydrophobicContact CB-CB 4.49Å; F72-L156 HydrophobicContact CB-CD2 4.35Å; F72-L156 HydrophobicContact CD1-CB 3.76Å; F72-L156 HydrophobicContact CD2-CB 4.1Å; F72-L156 HydrophobicContact CD2-CD1 4.07Å; F72-L156 HydrophobicContact CD2-CD2 4.37Å; F72-L156 HydrophobicContact CD2-CG 4.41Å; F72-L156 HydrophobicContact CE1-CB 3.92Å; F72-L156 HydrophobicContact CE2-CB 4.25Å; F72-L156 HydrophobicContact CE2-CD1 4.02Å; F72-L156 HydrophobicContact CG-CB 3.86Å; F72-L156 HydrophobicContact CG-CD2 4.35Å; F72-L156 HydrophobicContact CZ-CB 4.17Å; F72-Y184 HydrophobicContact CB-CE1 4.21Å |
| 73 | F | 98.5 | Very high | 96.1 | Very high | 12 Ų | 12 | 36 Ų | 36 | 5% | 0.053 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.4 | -45.4 | 175.2 | 175.9 | -90.4 | 0 | 0 | 0 | 112.3 | V62 C64 A69 L75 F76 T77 F93 F95 I126 | V62-F73 HydrophobicContact CB-CE2 4.46Å; V62-F73 HydrophobicContact CG1-CD2 4.37Å; V62-F73 HydrophobicContact CG1-CE2 3.8Å; C64-F73 HydrophobicContact CB-CB 4.12Å; C64-F73 HydrophobicContact CB-CD1 3.99Å; C64-F73 HydrophobicContact CB-CD2 3.4Å; C64-F73 HydrophobicContact CB-CE1 4.23Å; C64-F73 HydrophobicContact CB-CE2 3.65Å; C64-F73 HydrophobicContact CB-CG 3.57Å; C64-F73 HydrophobicContact CB-CZ 4.06Å; C64-F73 VanDerWaalsContact SG-CB 3.53Å; A69-F73 VanDerWaalsContact O-CB 3.22Å; A69-F73 WeakPolarHBondContact O-CB 3.45Å; A69-F73 PolarHBondContact O-N 3.05Å; F73-L75 PolarHBondContact O-N 2.92Å; F73-F76 PolarHBondContact O-N 2.85Å; F73-T77 HydrophobicContact CD1-CG2 4.16Å; F73-T77 HydrophobicContact CD2-CG2 4.01Å; F73-T77 HydrophobicContact CE1-CG2 3.86Å; F73-T77 HydrophobicContact CE2-CG2 3.73Å; F73-T77 HydrophobicContact CG-CG2 4.23Å; F73-T77 HydrophobicContact CZ-CG2 3.66Å; F73-T77 WeakPolarHBondContact O-CB 3.27Å; F73-T77 VanDerWaalsContact O-CG2 3.28Å; F73-T77 WeakPolarHBondContact O-CG2 3.37Å; F73-T77 PolarHBondContact O-N 2.84Å; F73-T77 PolarHBondContact O-OG1 2.9Å; F73-F93 HydrophobicContact CE2-CD1 4.26Å; F73-F93 HydrophobicContact CZ-CB 4.27Å; F73-F93 AromaticContact CZ-CD1 3.69Å; F73-F93 HydrophobicContact CZ-CD1 3.69Å; F73-F93 HydrophobicContact CZ-CE1 4.49Å; F73-F93 HydrophobicContact CZ-CG 4.3Å; F73-F95 HydrophobicContact CD1-CE1 4.23Å; F73-F95 AromaticContact CE1-CE1 3.77Å; F73-F95 HydrophobicContact CE1-CE1 3.77Å; F73-F95 AromaticContact CE1-CZ 3.92Å; F73-F95 HydrophobicContact CE1-CZ 3.92Å; F73-F95 HydrophobicContact CZ-CE1 4.25Å; F73-F95 HydrophobicContact CZ-CZ 4.3Å; F73-I126 HydrophobicContact CB-CG2 4.14Å; F73-I126 HydrophobicContact CD2-CB 3.98Å; F73-I126 HydrophobicContact CD2-CG1 3.86Å; F73-I126 HydrophobicContact CD2-CG2 4.38Å; F73-I126 HydrophobicContact CE2-CG1 4.46Å |
| 74 | S | 98.2 | Very high | 96.1 | Very high | 65 Ų | 65 | 36.5 Ų | 36.5 | 46% | 0.455 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -60.5 | -48.2 | 179.2 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | F70 R71 F72 T77 E78 | F70-S74 WeakPolarHBondContact O-CB 3.42Å; F70-S74 PolarHBondContact O-N 2.91Å; F70-S74 PolarHBondContact O-OG 3.47Å; R71-S74 PolarHBondContact O-N 2.82Å; F72-S74 PolarHBondContact O-N 2.82Å; S74-T77 PolarHBondContact O-OG1 3.14Å; S74-T77 VanDerWaalsContact O-OG1 3.09Å; S74-E78 WeakPolarHBondContact O-CB 3.39Å; S74-E78 PolarHBondContact O-N 2.81Å |
| 75 | L | 98.5 | Very high | 95.7 | Very high | 24 Ų | 24 | 43.6 Ų | 43.6 | 13% | 0.126 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.5 | -45.8 | 176.2 | 175.1 | 66.7 | 0 | 0 | 0 | 112 | V40 K41 T44 R71 F72 F73 T77 E78 L79 Y184 | V40-L75 HydrophobicContact CG1-CD2 4.26Å; K41-L75 HydrophobicContact CB-CD2 4.42Å; K41-L75 HydrophobicContact CG-CD1 4.42Å; T44-L75 HydrophobicContact CG2-CD2 3.99Å; T44-L75 HydrophobicContact CG2-CG 3.95Å; R71-L75 PolarHBondContact O-N 3.31Å; R71-L75 VanDerWaalsContact O-N 3.16Å; F72-L75 PolarHBondContact O-N 3.25Å; F73-L75 PolarHBondContact O-N 2.92Å; L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 PolarHBondContact O-N 2.78Å; L75-E78 PolarHBondContact O-N 2.91Å; L75-L79 HydrophobicContact CD1-CD1 3.98Å; L75-L79 HydrophobicContact CD1-CG 4.17Å; L75-L79 HydrophobicContact CG-CD1 4.18Å; L75-L79 WeakPolarHBondContact O-CG 3.46Å; L75-L79 PolarHBondContact O-N 2.96Å; L75-Y184 VanDerWaalsContact CD2-OH 3.23Å; L75-Y184 WeakPolarHBondContact CD2-OH 3.31Å |
| 76 | F | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | -178.8 | -177.3 | -84.4 | 0 | 0 | 0 | 111.1 | T44 L47 T48 V51 F72 F73 L79 L80 L124 I126 V154 | T44-F76 HydrophobicContact CG2-CB 3.89Å; T44-F76 HydrophobicContact CG2-CD2 3.96Å; T44-F76 HydrophobicContact CG2-CG 4.38Å; L47-F76 HydrophobicContact CB-CE2 4.1Å; T48-F76 HydrophobicContact CG2-CD1 4.25Å; T48-F76 HydrophobicContact CG2-CD2 3.52Å; T48-F76 HydrophobicContact CG2-CE1 4.27Å; T48-F76 HydrophobicContact CG2-CE2 3.53Å; T48-F76 HydrophobicContact CG2-CG 3.87Å; T48-F76 HydrophobicContact CG2-CZ 3.9Å; T48-F76 WeakPolarHBondContact CG2-O 3.19Å; V51-F76 HydrophobicContact CB-CZ 4.25Å; V51-F76 HydrophobicContact CG1-CZ 4.26Å; V51-F76 HydrophobicContact CG2-CZ 4.02Å; F72-F76 HydrophobicContact CE2-CB 4.41Å; F72-F76 HydrophobicContact CE2-CD2 4.32Å; F72-F76 HydrophobicContact CZ-CD2 4.1Å; F72-F76 WeakPolarHBondContact O-CB 3.33Å; F72-F76 PolarHBondContact O-N 2.8Å; F73-F76 PolarHBondContact O-N 2.85Å; F76-L79 PolarHBondContact O-N 3.4Å; F76-L80 HydrophobicContact CE1-CB 4.35Å; F76-L80 HydrophobicContact CE1-CD2 3.89Å; F76-L80 WeakPolarHBondContact O-CB 3.49Å; F76-L80 PolarHBondContact O-N 3.43Å; F76-L124 HydrophobicContact CE1-CD2 3.97Å; F76-L124 HydrophobicContact CZ-CD2 3.97Å; F76-I126 HydrophobicContact CD1-CD1 3.87Å; F76-I126 HydrophobicContact CD1-CG1 4.43Å; F76-I126 HydrophobicContact CE1-CD1 3.76Å; F76-I126 HydrophobicContact CG-CD1 4.36Å; F76-I126 HydrophobicContact CZ-CD1 4.16Å; F76-V154 HydrophobicContact CD2-CG1 4.41Å; F76-V154 HydrophobicContact CE2-CB 4.47Å; F76-V154 HydrophobicContact CE2-CG1 4.01Å; F76-V154 HydrophobicContact CE2-CG2 4.07Å; F76-V154 HydrophobicContact CZ-CG2 3.98Å |
| 77 | T | 97.6 | Very high | 95.1 | Very high | 19 Ų | 19 | 51.1 Ų | 51.1 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.1 | -38.7 | 178.7 | 54.1 | 0 | 0 | 0 | 0 | 112.1 | F73 S74 L75 L79 L80 M81 F93 | F73-T77 HydrophobicContact CD1-CG2 4.16Å; F73-T77 HydrophobicContact CD2-CG2 4.01Å; F73-T77 HydrophobicContact CE1-CG2 3.86Å; F73-T77 HydrophobicContact CE2-CG2 3.73Å; F73-T77 HydrophobicContact CG-CG2 4.23Å; F73-T77 HydrophobicContact CZ-CG2 3.66Å; F73-T77 WeakPolarHBondContact O-CB 3.27Å; F73-T77 VanDerWaalsContact O-CG2 3.28Å; F73-T77 WeakPolarHBondContact O-CG2 3.37Å; F73-T77 PolarHBondContact O-N 2.84Å; F73-T77 PolarHBondContact O-OG1 2.9Å; S74-T77 PolarHBondContact O-OG1 3.14Å; S74-T77 VanDerWaalsContact O-OG1 3.09Å; L75-T77 VanDerWaalsContact C-N 3.34Å; L75-T77 PolarHBondContact O-N 2.78Å; T77-L79 PolarHBondContact O-N 3.38Å; T77-L80 PolarHBondContact O-N 3.14Å; T77-M81 VanDerWaalsContact O-CB 3.32Å; T77-M81 WeakPolarHBondContact O-CB 3.02Å; T77-M81 WeakPolarHBondContact O-CG 3.39Å; T77-M81 PolarHBondContact O-N 3.37Å; T77-F93 HydrophobicContact CG2-CD1 3.97Å; T77-F93 HydrophobicContact CG2-CE1 3.47Å; T77-F93 VanDerWaalsContact CG2-CE1 3.47Å; T77-F93 HydrophobicContact CG2-CZ 4.33Å |
| 78 | E | 97.6 | Very high | 94.7 | Very high | 100 Ų | 100 | 52.9 Ų | 52.9 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.6 | -50.4 | 172.6 | -171.3 | -161.2 | 141.4 | 0 | 0 | 111.4 | S74 L75 M81 K82 | S74-E78 WeakPolarHBondContact O-CB 3.39Å; S74-E78 PolarHBondContact O-N 2.81Å; L75-E78 PolarHBondContact O-N 2.91Å; E78-M81 PolarHBondContact O-N 3.11Å; E78-K82 WeakPolarHBondContact O-CG 3.35Å; E78-K82 PolarHBondContact O-N 2.82Å; E78-K82 IonicContact OE1-NZ 3.69Å; E78-K82 PolarHBondContact OE1-NZ 3.25Å |
| 79 | L | 97.7 | Very high | 94.5 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 10% | 0.099 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -70.1 | -40.2 | -178.7 | -65.3 | -179.7 | 0 | 0 | 0 | 112 | T44 D45 T48 L75 F76 T77 K82 R83 | T44-L79 HydrophobicContact CG2-CD1 4.03Å; D45-L79 HydrophobicContact CB-CD1 4.1Å; T48-L79 HydrophobicContact CG2-CB 3.92Å; L75-L79 HydrophobicContact CD1-CD1 3.98Å; L75-L79 HydrophobicContact CD1-CG 4.17Å; L75-L79 HydrophobicContact CG-CD1 4.18Å; L75-L79 WeakPolarHBondContact O-CG 3.46Å; L75-L79 PolarHBondContact O-N 2.96Å; F76-L79 PolarHBondContact O-N 3.4Å; T77-L79 PolarHBondContact O-N 3.38Å; L79-K82 HydrophobicContact CD2-CD 4.45Å; L79-K82 PolarHBondContact O-N 3.28Å; L79-R83 WeakPolarHBondContact O-CG 3.4Å; L79-R83 PolarHBondContact O-N 3.05Å |
| 80 | L | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 175.8 | -176.9 | 65.4 | 0 | 0 | 0 | 111.4 | T48 V51 Q52 L60 V62 F76 T77 R83 R84 | T48-L80 HydrophobicContact CG2-CB 4.08Å; V51-L80 HydrophobicContact CG1-CD1 4.28Å; Q52-L80 HydrophobicContact CB-CD1 4.41Å; L60-L80 HydrophobicContact CD2-CD2 4.13Å; V62-L80 HydrophobicContact CG2-CD2 4.41Å; F76-L80 HydrophobicContact CE1-CB 4.35Å; F76-L80 HydrophobicContact CE1-CD2 3.89Å; F76-L80 WeakPolarHBondContact O-CB 3.49Å; F76-L80 PolarHBondContact O-N 3.43Å; T77-L80 PolarHBondContact O-N 3.14Å; L80-R83 WeakPolarHBondContact O-CB 3.28Å; L80-R83 PolarHBondContact O-N 3.14Å; L80-R83 VanDerWaalsContact O-N 3.12Å; L80-R84 HydrophobicContact CD1-CG 4.29Å; L80-R84 HydrophobicContact CG-CG 4.4Å; L80-R84 WeakPolarHBondContact O-CG 3.47Å; L80-R84 PolarHBondContact O-N 2.93Å |
| 81 | M | 95.6 | Very high | 94.1 | Very high | 54 Ų | 54 | 52.5 Ų | 52.5 | 27% | 0.266 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -65.2 | -40.8 | 179.4 | -72.1 | -52.6 | 93.5 | 0 | 0 | 111.6 | T77 E78 R83 R84 Q85 T91 F93 | T77-M81 VanDerWaalsContact O-CB 3.32Å; T77-M81 WeakPolarHBondContact O-CB 3.02Å; T77-M81 WeakPolarHBondContact O-CG 3.39Å; T77-M81 PolarHBondContact O-N 3.37Å; E78-M81 PolarHBondContact O-N 3.11Å; M81-R83 PolarHBondContact O-N 2.95Å; M81-R84 HydrophobicContact CE-CB 4.44Å; M81-R84 PolarHBondContact O-N 2.84Å; M81-Q85 WeakPolarHBondContact O-CG 3.15Å; M81-Q85 PolarHBondContact O-N 3.5Å; M81-T91 HydrophobicContact CE-CG2 3.64Å; M81-F93 HydrophobicContact CE-CZ 3.96Å; M81-F93 HydrophobicContact CG-CZ 4.28Å; M81-F93 HydrophobicContact SD-CE2 4.47Å; M81-F93 HydrophobicContact SD-CZ 3.91Å |
| 82 | K | 95.1 | Very high | 93.9 | Very high | 117 Ų | 117 | 52.6 Ų | 52.6 | 51% | 0.509 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -54.3 | -38.4 | 172 | -75.7 | 169.2 | 174.1 | 168.7 | 0 | 112.1 | E78 L79 | E78-K82 WeakPolarHBondContact O-CG 3.35Å; E78-K82 PolarHBondContact O-N 2.82Å; E78-K82 IonicContact OE1-NZ 3.69Å; E78-K82 PolarHBondContact OE1-NZ 3.25Å; L79-K82 HydrophobicContact CD2-CD 4.45Å; L79-K82 PolarHBondContact O-N 3.28Å |
| 83 | R | 93.8 | Very high | 93.6 | Very high | 81 Ų | 81 | 56.7 Ų | 56.7 | 31% | 0.306 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -74 | -31.6 | 177.4 | -63.7 | 174.5 | -178.6 | -69.4 | -6.1 | 112.9 | D45 T48 Q52 L79 L80 M81 I87 | D45-R83 PolarHBondContact O-NH2 3.19Å; D45-R83 VanDerWaalsContact O-NH2 3.14Å; D45-R83 IonicContact OD1-CZ 2.72Å; D45-R83 IonicContact OD1-NE 3.52Å; D45-R83 IonicContact OD1-NH2 2.82Å; D45-R83 PolarHBondContact OD1-NH2 3.12Å; D45-R83 IonicContact OD2-NH2 3.68Å; D45-R83 PolarHBondContact OD2-NH2 2.99Å; D45-R83 VanDerWaalsContact OD2-NH2 3.12Å; T48-R83 PolarHBondContact OG1-NE 3.37Å; Q52-R83 HydrophobicContact CG-CB 4.19Å; L79-R83 WeakPolarHBondContact O-CG 3.4Å; L79-R83 PolarHBondContact O-N 3.05Å; L80-R83 WeakPolarHBondContact O-CB 3.28Å; L80-R83 PolarHBondContact O-N 3.14Å; L80-R83 VanDerWaalsContact O-N 3.12Å; M81-R83 PolarHBondContact O-N 2.95Å; R83-I87 WeakPolarHBondContact O-CD1 3.4Å |
| 84 | R | 94 | Very high | 93.2 | Very high | 10 Ų | 10 | 57 Ų | 57 | 4% | 0.038 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -91.8 | -11.8 | -173.3 | -70.4 | 177.2 | 75.2 | 75.7 | -1.9 | 115.2 | Q52 G56 D58 L80 M81 N86 I87 T91 | Q52-R84 VanDerWaalsContact OE1-CD 3.3Å; G56-R84 PolarHBondContact O-NH1 2.9Å; G56-R84 VanDerWaalsContact O-NH1 3.14Å; D58-R84 PolarHBondContact O-NH2 2.97Å; L80-R84 HydrophobicContact CD1-CG 4.29Å; L80-R84 HydrophobicContact CG-CG 4.4Å; L80-R84 WeakPolarHBondContact O-CG 3.47Å; L80-R84 PolarHBondContact O-N 2.93Å; M81-R84 HydrophobicContact CE-CB 4.44Å; M81-R84 PolarHBondContact O-N 2.84Å; R84-N86 PolarHBondContact O-N 2.84Å; R84-I87 HydrophobicContact CG-CD1 4.32Å; R84-I87 PolarHBondContact O-N 2.99Å; R84-T91 PolarHBondContact NE-OG1 2.83Å |
| 85 | Q | 87.9 | Confident | 92.9 | Very high | 149 Ų | 149 | 58.8 Ų | 58.8 | 70% | 0.696 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | -34.2 | -174.3 | -90.7 | 179.9 | -2.1 | 0 | 0 | 115.2 | M81 | M81-Q85 WeakPolarHBondContact O-CG 3.15Å; M81-Q85 PolarHBondContact O-N 3.5Å |
| 86 | N | 86.1 | Confident | 92.4 | Very high | 157 Ų | 157 | 57.6 Ų | 57.6 | 84% | 0.84 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.4 | 13.2 | -175.5 | -63.4 | -37.5 | 0 | 0 | 0 | 114.4 | R84 | R84-N86 PolarHBondContact O-N 2.84Š|
| 87 | I | 86.5 | Confident | 91.7 | Very high | 48 Ų | 48 | 62.8 Ų | 62.8 | 25% | 0.246 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -91.8 | -17.4 | -171.4 | -60.8 | -169.9 | 0 | 0 | 0 | 112.2 | Q52 G56 T57 R83 R84 A89 | Q52-I87 VanDerWaalsContact CD-CD1 3.49Å; Q52-I87 HydrophobicContact CG-CD1 4.2Å; G56-I87 WeakPolarHBondContact O-CG2 3.34Å; T57-I87 HydrophobicContact CG2-CG2 3.56Å; R83-I87 WeakPolarHBondContact O-CD1 3.4Å; R84-I87 HydrophobicContact CG-CD1 4.32Å; R84-I87 PolarHBondContact O-N 2.99Å; I87-A89 HydrophobicContact CG2-CB 4.11Å; I87-A89 PolarHBondContact O-N 3.12Å |
| 88 | G | 83.8 | Confident | 90.6 | Very high | 86 Ų | 86 | 62.6 Ų | 62.6 | 89% | 0.887 | 32% | 0.321 | S | S | * | . | trans | 73.4 | 12.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 89 | A | 88.6 | Confident | 89 | Confident | 18 Ų | 18 | 63.9 Ų | 63.9 | 15% | 0.149 | 33% | 0.325 | C | S | . | . | trans | -104.9 | 137.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | T57 I87 | T57-A89 WeakPolarHBondContact O-CB 3.44Å; I87-A89 HydrophobicContact CG2-CB 4.11Å; I87-A89 PolarHBondContact O-N 3.12Å | ||
| 90 | A | 91.5 | Very high | 87 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | trans | -76.1 | 148.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | N59 L60 F92 | N59-A90 WeakPolarHBondContact CA-O 3.39Å; N59-A90 WeakPolarHBondContact OD1-CB 3.23Å; N59-A90 PolarHBondContact OD1-N 3.41Å; L60-A90 PolarHBondContact N-O 3.38Å; L60-A90 VanDerWaalsContact N-O 3.09Å; A90-F92 HydrophobicContact CB-CD2 4.4Å; A90-F92 HydrophobicContact CB-CE2 3.56Å; A90-F92 HydrophobicContact CB-CZ 3.78Å | ||
| 91 | T | 93.8 | Very high | 85.1 | Confident | 26 Ų | 26 | 69 Ų | 69 | 16% | 0.16 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 128.7 | 169.4 | -49.5 | 0 | 0 | 0 | 0 | 108.7 | L60 V62 M81 R84 F93 | L60-T91 CarbonylContact O-C 3.5Å; L60-T91 VanDerWaalsContact O-CA 3.24Å; L60-T91 WeakPolarHBondContact O-CA 3.39Å; L60-T91 WeakPolarHBondContact O-CG2 3.49Å; V62-T91 HydrophobicContact CG2-CG2 3.76Å; M81-T91 HydrophobicContact CE-CG2 3.64Å; R84-T91 PolarHBondContact NE-OG1 2.83Å; T91-F93 HydrophobicContact CG2-CE1 3.79Å; T91-F93 HydrophobicContact CG2-CE2 4.4Å; T91-F93 HydrophobicContact CG2-CZ 3.7Å |
| 92 | F | 92.5 | Very high | 83.2 | Confident | 79 Ų | 79 | 70 Ų | 70 | 35% | 0.346 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143.8 | -178.5 | -58.3 | -90.5 | 0 | 0 | 0 | 109.4 | L60 G61 V62 A90 T117 M121 | L60-F92 PolarHBondContact O-N 2.93Å; G61-F92 CarbonylContact C-O 3.5Å; V62-F92 PolarHBondContact N-O 3.29Å; A90-F92 HydrophobicContact CB-CD2 4.4Å; A90-F92 HydrophobicContact CB-CE2 3.56Å; A90-F92 HydrophobicContact CB-CZ 3.78Å; F92-T117 HydrophobicContact CD1-CG2 4.36Å; F92-M121 HydrophobicContact CD2-CE 3.54Å; F92-M121 HydrophobicContact CD2-SD 3.53Å; F92-M121 VanDerWaalsContact CD2-SD 3.53Å; F92-M121 HydrophobicContact CE2-CE 3.67Å; F92-M121 HydrophobicContact CE2-SD 4.11Å; F92-M121 HydrophobicContact CG-CE 4.26Å; F92-M121 HydrophobicContact CG-SD 4.35Å; F92-M121 HydrophobicContact CZ-CE 4.49Å |
| 93 | F | 92.6 | Very high | 81.9 | Confident | 87 Ų | 87 | 66.7 Ų | 66.7 | 38% | 0.382 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 138.9 | -176.9 | -56.7 | -71.7 | 0 | 0 | 0 | 110.7 | V62 F73 T77 M81 T91 | V62-F93 HydrophobicContact CB-CD1 3.94Å; V62-F93 HydrophobicContact CB-CE1 4.14Å; V62-F93 HydrophobicContact CG2-CE1 4.3Å; V62-F93 WeakPolarHBondContact O-CA 3.33Å; F73-F93 HydrophobicContact CE2-CD1 4.26Å; F73-F93 HydrophobicContact CZ-CB 4.27Å; F73-F93 AromaticContact CZ-CD1 3.69Å; F73-F93 HydrophobicContact CZ-CD1 3.69Å; F73-F93 HydrophobicContact CZ-CE1 4.49Å; F73-F93 HydrophobicContact CZ-CG 4.3Å; T77-F93 HydrophobicContact CG2-CD1 3.97Å; T77-F93 HydrophobicContact CG2-CE1 3.47Å; T77-F93 VanDerWaalsContact CG2-CE1 3.47Å; T77-F93 HydrophobicContact CG2-CZ 4.33Å; M81-F93 HydrophobicContact CE-CZ 3.96Å; M81-F93 HydrophobicContact CG-CZ 4.28Å; M81-F93 HydrophobicContact SD-CE2 4.47Å; M81-F93 HydrophobicContact SD-CZ 3.91Å; T91-F93 HydrophobicContact CG2-CE1 3.79Å; T91-F93 HydrophobicContact CG2-CE2 4.4Å; T91-F93 HydrophobicContact CG2-CZ 3.7Å |
| 94 | D | 90.9 | Very high | 80.4 | Confident | 20 Ų | 20 | 67.9 Ų | 67.9 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 166.1 | 171.5 | -162.3 | 5.9 | 0 | 0 | 0 | 110.1 | V62 I63 C64 Q115 F118 | V62-D94 PolarHBondContact O-N 3.43Å; V62-D94 VanDerWaalsContact O-N 3.08Å; I63-D94 CarbonylContact C-O 3.54Å; I63-D94 WeakPolarHBondContact CA-O 3.41Å; I63-D94 HydrophobicContact CG1-CB 4.46Å; C64-D94 PolarHBondContact N-O 2.99Å; D94-Q115 PolarHBondContact OD2-N 2.98Å; D94-Q115 VanDerWaalsContact OD2-N 3.09Å; D94-F118 HydrophobicContact CB-CE2 3.35Å; D94-F118 HydrophobicContact CB-CZ 3.35Å; D94-F118 WeakPolarHBondContact OD2-CE2 3.44Å |
| 95 | F | 90.4 | Very high | 78.7 | Confident | 101 Ų | 101 | 71.8 Ų | 71.8 | 44% | 0.443 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 122.6 | -173.4 | -58.8 | -94.7 | 0 | 0 | 0 | 109.4 | C64 L66 F73 | C64-F95 HydrophobicContact CB-CD1 3.53Å; C64-F95 HydrophobicContact CB-CE1 3.89Å; C64-F95 HydrophobicContact CB-CG 4.39Å; C64-F95 WeakPolarHBondContact O-CA 3.43Å; L66-F95 HydrophobicContact CD1-CB 3.81Å; L66-F95 HydrophobicContact CD1-CD1 4.14Å; L66-F95 HydrophobicContact CD1-CG 4.35Å; L66-F95 HydrophobicContact CD2-CD1 4.23Å; L66-F95 HydrophobicContact CG-CB 4.27Å; L66-F95 HydrophobicContact CG-CD1 4.24Å; F73-F95 HydrophobicContact CD1-CE1 4.23Å; F73-F95 AromaticContact CE1-CE1 3.77Å; F73-F95 HydrophobicContact CE1-CE1 3.77Å; F73-F95 AromaticContact CE1-CZ 3.92Å; F73-F95 HydrophobicContact CE1-CZ 3.92Å; F73-F95 HydrophobicContact CZ-CE1 4.25Å; F73-F95 HydrophobicContact CZ-CZ 4.3Å |
| 96 | L | 88.5 | Confident | 77.1 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 126.8 | 173.6 | -74.1 | -177.8 | 0 | 0 | 0 | 110 | I63 C64 V65 L66 V111 S112 V114 L139 V143 | I63-L96 HydrophobicContact CG2-CB 4.04Å; I63-L96 HydrophobicContact CG2-CD1 3.71Å; I63-L96 HydrophobicContact CG2-CG 3.6Å; C64-L96 PolarHBondContact O-N 3.12Å; V65-L96 CarbonylContact C-O 3.58Å; V65-L96 WeakPolarHBondContact CA-O 3.43Å; L66-L96 PolarHBondContact N-O 2.67Å; L96-V111 HydrophobicContact CD2-CG1 4.38Å; L96-S112 WeakPolarHBondContact CA-OG 3.35Å; L96-S112 VanDerWaalsContact CD2-O 3.22Å; L96-S112 WeakPolarHBondContact CD2-O 3.48Å; L96-V114 HydrophobicContact CD1-CG2 3.72Å; L96-V114 HydrophobicContact CD2-CB 4.43Å; L96-V114 HydrophobicContact CD2-CG2 3.63Å; L96-V114 HydrophobicContact CG-CG2 4.09Å; L96-L139 HydrophobicContact CD1-CD2 3.86Å; L96-V143 HydrophobicContact CD1-CG2 4.08Å |
| 97 | R | 83.5 | Confident | 75.5 | Confident | 109 Ų | 109 | 62.5 Ų | 62.5 | 41% | 0.411 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.6 | 169.9 | -165.3 | 172.4 | -174.3 | 179.1 | 3.2 | 109.5 | L66 N67 S112 | L66-R97 HydrophobicContact CB-CB 4.34Å; L66-R97 HydrophobicContact CB-CG 4.35Å; N67-R97 PolarHBondContact ND2-NH2 3.14Å; R97-S112 PolarHBondContact N-OG 3.02Å; R97-S112 PolarHBondContact O-N 2.84Å |
| 98 | M | 75 | Confident | 73.7 | Confident | 14 Ų | 14 | 67.9 Ų | 67.9 | 7% | 0.069 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 129.2 | 166.8 | -72.4 | -161.8 | -61.7 | 0 | 0 | 109.8 | V65 L66 I109 S110 V111 T135 L139 | V65-M98 HydrophobicContact CG1-CE 3.78Å; L66-M98 PolarHBondContact O-N 2.97Å; M98-I109 HydrophobicContact CB-CG2 4.08Å; M98-I109 HydrophobicContact CG-CG2 3.98Å; M98-I109 HydrophobicContact SD-CG2 3.56Å; M98-I109 VanDerWaalsContact SD-CG2 3.56Å; M98-S110 WeakPolarHBondContact CA-O 3.32Å; M98-V111 HydrophobicContact CG-CB 4.39Å; M98-V111 HydrophobicContact CG-CG1 4.06Å; M98-V111 HydrophobicContact CG-CG2 3.94Å; M98-V111 HydrophobicContact SD-CG2 3.97Å; M98-T135 HydrophobicContact CE-CG2 3.11Å; M98-T135 HydrophobicContact SD-CG2 4.18Å; M98-L139 HydrophobicContact CE-CD1 3.31Å; M98-L139 HydrophobicContact CE-CD2 3.45Å; M98-L139 VanDerWaalsContact CE-CD2 3.45Å; M98-L139 HydrophobicContact CE-CG 3.21Å; M98-L139 HydrophobicContact CG-CD2 4.19Å; M98-L139 HydrophobicContact SD-CD1 4.35Å; M98-L139 HydrophobicContact SD-CD2 3.5Å; M98-L139 WeakPolarHBondContact SD-CD2 3.46Å; M98-L139 HydrophobicContact SD-CG 3.58Å; M98-L139 VanDerWaalsContact SD-CG 3.58Å |
| 99 | K | 64.4 | Low | 72.3 | Confident | 128 Ų | 128 | 65.1 Ų | 65.1 | 56% | 0.557 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 113.1 | 169.3 | -71.8 | -174.6 | 176.2 | -176.5 | 0 | 107.4 | I109 | K99-I109 WeakPolarHBondContact O-CA 3.32Å |
| 100 | S | 55.7 | Low | 70.7 | Confident | 12 Ų | 12 | 67.7 Ų | 67.7 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 1.6 | -177.1 | 55.2 | 0 | 0 | 0 | 0 | 115.2 | S106 S107 | S100-S106 CarbonylContact O-C 3.51Å; S100-S106 WeakPolarHBondContact O-CA 3.47Å; S100-S107 PolarHBondContact O-N 3.09Å |
| 101 | Y | 56.4 | Low | 69.4 | Low | 114 Ų | 114 | 67.9 Ų | 67.9 | 45% | 0.447 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 140.7 | -177.2 | -64.4 | -81.5 | 0 | 0 | 0 | 113.9 | ||
| 102 | V | 56.2 | Low | 68 | Low | 76 Ų | 76 | 68.8 Ų | 68.8 | 46% | 0.461 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 123 | 159.5 | 178.7 | 0 | 0 | 0 | 0 | 106 | D104 V105 | V102-D104 PolarHBondContact O-N 2.97Å; V102-V105 PolarHBondContact N-O 2.82Å; V102-V105 PolarHBondContact O-N 3.47Å |
| 103 | N | 67.5 | Low | 66.5 | Low | 47 Ų | 47 | 73.5 Ų | 73.5 | 25% | 0.251 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | -128 | -166.5 | -58 | -42.5 | 0 | 0 | 0 | 111.4 | N189 K211 | N103-N189 WeakPolarHBondContact CA-OD1 3.24Å; N103-N189 PolarHBondContact N-OD1 3.23Å; N103-N189 PolarHBondContact OD1-ND2 3.08Å; N103-N189 PolarHBondContact OD1-OD1 3.3Å; N103-K211 PolarHBondContact OD1-N 3Å |
| 104 | D | 62.7 | Low | 65.1 | Low | 105 Ų | 105 | 69.6 Ų | 69.6 | 56% | 0.561 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | 5.3 | 177.6 | 61.8 | -25.3 | 0 | 0 | 0 | 113.3 | V102 F180 | V102-D104 PolarHBondContact O-N 2.97Å; D104-F180 HydrophobicContact CB-CE2 4.28Å |
| 105 | V | 57.9 | Low | 63.9 | Low | 93 Ų | 93 | 74 Ų | 74 | 56% | 0.564 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 127.6 | -175.9 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | V102 | V102-V105 PolarHBondContact N-O 2.82Å; V102-V105 PolarHBondContact O-N 3.47Å |
| 106 | S | 55.5 | Low | 62.4 | Low | 54 Ų | 54 | 73.6 Ų | 73.6 | 38% | 0.378 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 127.5 | 173.9 | 166.7 | 0 | 0 | 0 | 0 | 111.5 | S100 | S100-S106 CarbonylContact O-C 3.51Å; S100-S106 WeakPolarHBondContact O-CA 3.47Å |
| 107 | S | 50.6 | Low | 61.4 | Low | 56 Ų | 56 | 76.9 Ų | 76.9 | 39% | 0.392 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 175.9 | 176.2 | 60.6 | 0 | 0 | 0 | 0 | 112.8 | S100 I109 | S100-S107 PolarHBondContact O-N 3.09Å; S107-I109 PolarHBondContact O-N 3.23Å |
| 108 | N | 49.1 | Very low | 61.2 | Low | 162 Ų | 162 | 71.9 Ų | 71.9 | 87% | 0.866 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -45.3 | 119.5 | -170 | -80.6 | -27.9 | 0 | 0 | 0 | 114.7 | S110 | N108-S110 PolarHBondContact O-N 2.76Å |
| 109 | I | 55.8 | Low | 61.7 | Low | 27 Ų | 27 | 75.1 Ų | 75.1 | 14% | 0.138 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 113.3 | -177.2 | -51 | -177.5 | 0 | 0 | 0 | 111.5 | M98 K99 S107 V111 K138 | M98-I109 HydrophobicContact CB-CG2 4.08Å; M98-I109 HydrophobicContact CG-CG2 3.98Å; M98-I109 HydrophobicContact SD-CG2 3.56Å; M98-I109 VanDerWaalsContact SD-CG2 3.56Å; K99-I109 WeakPolarHBondContact O-CA 3.32Å; S107-I109 PolarHBondContact O-N 3.23Å; I109-V111 HydrophobicContact CG2-CG2 3.96Å; I109-K138 HydrophobicContact CB-CD 4.02Å; I109-K138 HydrophobicContact CD1-CD 4.36Å; I109-K138 HydrophobicContact CG2-CD 4.25Å; I109-K138 PolarHBondContact O-NZ 3.43Å |
| 110 | S | 54.8 | Low | 63 | Low | 72 Ų | 72 | 71.2 Ų | 71.2 | 50% | 0.503 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 131.9 | 165.2 | 65.6 | 0 | 0 | 0 | 0 | 110.4 | M98 N108 | M98-S110 WeakPolarHBondContact CA-O 3.32Å; N108-S110 PolarHBondContact O-N 2.76Å |
| 111 | V | 63.1 | Low | 64.6 | Low | 43 Ų | 43 | 71.7 Ų | 71.7 | 26% | 0.261 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.2 | -176.5 | -164.4 | 0 | 0 | 0 | 0 | 109.9 | L96 M98 I109 V142 | L96-V111 HydrophobicContact CD2-CG1 4.38Å; M98-V111 HydrophobicContact CG-CB 4.39Å; M98-V111 HydrophobicContact CG-CG1 4.06Å; M98-V111 HydrophobicContact CG-CG2 3.94Å; M98-V111 HydrophobicContact SD-CG2 3.97Å; I109-V111 HydrophobicContact CG2-CG2 3.96Å; V111-V142 HydrophobicContact CB-CG2 4.24Å; V111-V142 HydrophobicContact CG1-CG1 4.08Å; V111-V142 HydrophobicContact CG1-CG2 4.21Å; V111-V142 HydrophobicContact CG2-CG2 4.08Å |
| 112 | S | 64.5 | Low | 66.5 | Low | 46 Ų | 46 | 67.8 Ų | 67.8 | 32% | 0.322 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 154.3 | 169.8 | 54.6 | 0 | 0 | 0 | 0 | 111.3 | L96 R97 V114 | L96-S112 WeakPolarHBondContact CA-OG 3.35Å; L96-S112 VanDerWaalsContact CD2-O 3.22Å; L96-S112 WeakPolarHBondContact CD2-O 3.48Å; R97-S112 PolarHBondContact N-OG 3.02Å; R97-S112 PolarHBondContact O-N 2.84Å; S112-V114 PolarHBondContact O-N 3.4Å |
| 113 | Q | 62.1 | Low | 68.4 | Low | 178 Ų | 178 | 64.2 Ų | 64.2 | 83% | 0.832 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 133.6 | 178.3 | -71.2 | -168.8 | -20.6 | 0 | 0 | 111.1 | ||
| 114 | V | 61.8 | Low | 69.8 | Low | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.024 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 142.6 | 167.8 | -173.9 | 0 | 0 | 0 | 0 | 108.2 | I63 L96 S112 F118 V142 V143 Y146 | I63-V114 HydrophobicContact CD1-CG1 4.13Å; L96-V114 HydrophobicContact CD1-CG2 3.72Å; L96-V114 HydrophobicContact CD2-CB 4.43Å; L96-V114 HydrophobicContact CD2-CG2 3.63Å; L96-V114 HydrophobicContact CG-CG2 4.09Å; S112-V114 PolarHBondContact O-N 3.4Å; V114-F118 HydrophobicContact CG1-CD2 3.64Å; V114-F118 HydrophobicContact CG1-CE2 4.16Å; V114-F118 HydrophobicContact CG1-CG 4.34Å; V114-V142 HydrophobicContact CG2-CG1 3.91Å; V114-V143 HydrophobicContact CG2-CG2 4.1Å; V114-Y146 HydrophobicContact CB-CD2 4.09Å; V114-Y146 HydrophobicContact CB-CE1 4.45Å; V114-Y146 HydrophobicContact CB-CE2 3.61Å; V114-Y146 HydrophobicContact CG1-CD2 4.49Å; V114-Y146 HydrophobicContact CG1-CE2 4.46Å; V114-Y146 HydrophobicContact CG2-CD2 4.42Å; V114-Y146 HydrophobicContact CG2-CE2 3.95Å; V114-Y146 PolarHBondContact N-OH 2.78Å; V114-Y146 WeakPolarHBondContact O-CE1 3.33Å; V114-Y146 VanDerWaalsContact O-CZ 3.28Å; V114-Y146 PolarHBondContact O-OH 3.2Å |
| 115 | Q | 65.4 | Low | 71.4 | Confident | 112 Ų | 112 | 57 Ų | 57 | 52% | 0.523 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 146.2 | 174.9 | -62.9 | -150.4 | 4.2 | 0 | 0 | 112.4 | D94 T117 F118 | D94-Q115 PolarHBondContact OD2-N 2.98Å; D94-Q115 VanDerWaalsContact OD2-N 3.09Å; Q115-T117 PolarHBondContact O-N 2.92Å; Q115-F118 WeakPolarHBondContact O-CD2 3.39Å |
| 116 | P | 58.9 | Low | 73.3 | Confident | 94 Ų | 94 | 52.5 Ų | 52.5 | 61% | 0.61 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -57.2 | -18.3 | 176.7 | -23.4 | 32.5 | 0 | 0 | 0 | 114.6 | F118 T119 | P116-F118 PolarHBondContact O-N 2.98Å; P116-T119 WeakPolarHBondContact O-CB 3.21Å; P116-T119 PolarHBondContact O-N 2.85Å; P116-T119 PolarHBondContact O-OG1 3.05Å |
| 117 | T | 69.5 | Low | 75.2 | Confident | 68 Ų | 68 | 50.5 Ų | 50.5 | 42% | 0.417 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -53.5 | -23.8 | -177.3 | -44.2 | 0 | 0 | 0 | 0 | 114 | F92 Q115 T119 M121 | F92-T117 HydrophobicContact CD1-CG2 4.36Å; Q115-T117 PolarHBondContact O-N 2.92Å; T117-T119 VanDerWaalsContact C-N 3.3Å; T117-T119 PolarHBondContact O-N 2.88Å; T117-M121 VanDerWaalsContact O-CE 3.24Å; T117-M121 WeakPolarHBondContact O-CE 3.33Å |
| 118 | F | 78.8 | Confident | 77.4 | Confident | 5 Ų | 5 | 48.9 Ų | 48.9 | 2% | 0.022 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -82.6 | -4 | 179.3 | -64.6 | -90.7 | 0 | 0 | 0 | 114.3 | I63 D94 V114 Q115 P116 G120 M121 T123 | I63-F118 HydrophobicContact CD1-CD1 4.23Å; I63-F118 HydrophobicContact CD1-CE1 4.12Å; I63-F118 HydrophobicContact CD1-CG 4.45Å; I63-F118 HydrophobicContact CD1-CZ 4.29Å; I63-F118 HydrophobicContact CG1-CD1 4.3Å; I63-F118 HydrophobicContact CG1-CE1 3.7Å; I63-F118 HydrophobicContact CG1-CE2 4.38Å; I63-F118 HydrophobicContact CG1-CZ 3.78Å; D94-F118 HydrophobicContact CB-CE2 3.35Å; D94-F118 HydrophobicContact CB-CZ 3.35Å; D94-F118 WeakPolarHBondContact OD2-CE2 3.44Å; V114-F118 HydrophobicContact CG1-CD2 3.64Å; V114-F118 HydrophobicContact CG1-CE2 4.16Å; V114-F118 HydrophobicContact CG1-CG 4.34Å; Q115-F118 WeakPolarHBondContact O-CD2 3.39Å; P116-F118 PolarHBondContact O-N 2.98Å; F118-G120 PolarHBondContact O-N 3.14Å; F118-M121 PolarHBondContact O-N 3.32Å; F118-T123 HydrophobicContact CD1-CG2 3.91Å; F118-T123 HydrophobicContact CE1-CG2 4.45Å |
| 119 | T | 86 | Confident | 79.6 | Confident | 82 Ų | 82 | 43 Ų | 43 | 50% | 0.503 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | 127.4 | 178 | -53.4 | 0 | 0 | 0 | 0 | 110.8 | P116 T117 M121 Y146 | P116-T119 WeakPolarHBondContact O-CB 3.21Å; P116-T119 PolarHBondContact O-N 2.85Å; P116-T119 PolarHBondContact O-OG1 3.05Å; T117-T119 VanDerWaalsContact C-N 3.3Å; T117-T119 PolarHBondContact O-N 2.88Å; T119-M121 VanDerWaalsContact C-N 3.28Å; T119-M121 PolarHBondContact O-N 3.28Å; T119-Y146 WeakPolarHBondContact CA-O 3.16Å; T119-Y146 WeakPolarHBondContact CB-O 3.2Å; T119-Y146 WeakPolarHBondContact CG2-O 3.22Å; T119-Y146 PolarHBondContact OG1-O 3.06Å |
| 120 | G | 90 | Very high | 81.5 | Confident | 45 Ų | 45 | 41.9 Ų | 41.9 | 46% | 0.464 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 30.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F118 K147 I149 | F118-G120 PolarHBondContact O-N 3.14Å; G120-K147 PolarHBondContact N-O 3.14Å; G120-I149 WeakPolarHBondContact O-CD1 3.23Å; G120-I149 WeakPolarHBondContact O-CG1 3.28Å |
| 121 | M | 90.5 | Very high | 83.3 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 11% | 0.108 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -125.9 | 150.7 | 177.6 | -163.1 | -179.2 | -60.7 | 0 | 0 | 111.3 | G61 F92 T117 F118 T119 T123 P148 I149 | G61-M121 PolarHBondContact N-SD 3.03Å; G61-M121 VanDerWaalsContact N-SD 3.39Å; F92-M121 HydrophobicContact CD2-CE 3.54Å; F92-M121 HydrophobicContact CD2-SD 3.53Å; F92-M121 VanDerWaalsContact CD2-SD 3.53Å; F92-M121 HydrophobicContact CE2-CE 3.67Å; F92-M121 HydrophobicContact CE2-SD 4.11Å; F92-M121 HydrophobicContact CG-CE 4.26Å; F92-M121 HydrophobicContact CG-SD 4.35Å; F92-M121 HydrophobicContact CZ-CE 4.49Å; T117-M121 VanDerWaalsContact O-CE 3.24Å; T117-M121 WeakPolarHBondContact O-CE 3.33Å; F118-M121 PolarHBondContact O-N 3.32Å; T119-M121 VanDerWaalsContact C-N 3.28Å; T119-M121 PolarHBondContact O-N 3.28Å; M121-T123 PolarHBondContact O-N 3.08Å; M121-T123 PolarHBondContact O-OG1 2.67Å; M121-P148 CarbonylContact O-C 3.55Å; M121-P148 VanDerWaalsContact O-CA 3.3Å; M121-P148 WeakPolarHBondContact O-CA 3.45Å; M121-P148 VanDerWaalsContact O-CB 3.22Å; M121-P148 WeakPolarHBondContact O-CB 3.17Å; M121-I149 PolarHBondContact O-N 2.74Å |
| 122 | H | 96.3 | Very high | 84.7 | Confident | 33 Ų | 33 | 40.4 Ų | 40.4 | 15% | 0.153 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 129.9 | 163.9 | -66.6 | -77.1 | 0 | 0 | 0 | 109.1 | Y55 D58 L60 G61 I149 S150 | Y55-H122 HydrophobicContact CD1-CB 3.83Å; Y55-H122 AromaticContact CD1-CG 3.88Å; Y55-H122 HydrophobicContact CE1-CB 3.59Å; Y55-H122 AromaticContact CE1-CG 3.79Å; Y55-H122 AromaticContact CE1-ND1 3.71Å; D58-H122 IonicContact OD2-NE2 3.67Å; L60-H122 HydrophobicContact CD1-CB 3.98Å; G61-H122 PolarHBondContact N-O 2.74Å; H122-I149 WeakPolarHBondContact CE1-CG2 3.36Å; H122-S150 PolarHBondContact ND1-OG 2.78Å |
| 123 | T | 95.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.6 | -175.1 | -58.1 | 0 | 0 | 0 | 0 | 111 | G61 I63 F118 M121 V143 S150 L151 R152 | G61-T123 CarbonylContact O-C 3.57Å; G61-T123 WeakPolarHBondContact O-CA 3.43Å; I63-T123 HydrophobicContact CD1-CG2 3.69Å; I63-T123 HydrophobicContact CG1-CG2 4.18Å; F118-T123 HydrophobicContact CD1-CG2 3.91Å; F118-T123 HydrophobicContact CE1-CG2 4.45Å; M121-T123 PolarHBondContact O-N 3.08Å; M121-T123 PolarHBondContact O-OG1 2.67Å; T123-V143 HydrophobicContact CG2-CG1 3.92Å; T123-S150 PolarHBondContact N-O 3.14Å; T123-L151 HydrophobicContact CG2-CD1 3.79Å; T123-L151 WeakPolarHBondContact O-CA 3.44Å; T123-R152 PolarHBondContact O-N 2.87Å |
| 124 | L | 97.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 117.4 | 179.4 | -168.9 | 68.4 | 0 | 0 | 0 | 109.7 | V51 Y55 L60 G61 V62 I63 F76 I126 R152 V154 | V51-L124 HydrophobicContact CG1-CD2 3.69Å; V51-L124 HydrophobicContact CG2-CD2 4.16Å; Y55-L124 HydrophobicContact CE2-CD1 4.38Å; L60-L124 HydrophobicContact CD1-CB 4.22Å; L60-L124 HydrophobicContact CD2-CD2 4.45Å; G61-L124 PolarHBondContact O-N 2.79Å; V62-L124 CarbonylContact C-O 3.51Å; V62-L124 VanDerWaalsContact CA-O 3.32Å; V62-L124 WeakPolarHBondContact CA-O 3.42Å; I63-L124 PolarHBondContact N-O 3.35Å; F76-L124 HydrophobicContact CE1-CD2 3.97Å; F76-L124 HydrophobicContact CZ-CD2 3.97Å; L124-I126 HydrophobicContact CD2-CD1 3.88Å; L124-I126 HydrophobicContact CG-CD1 3.97Å; L124-R152 CarbonylContact C-O 3.51Å; L124-R152 WeakPolarHBondContact CA-O 3.36Å; L124-R152 HydrophobicContact CD1-CB 3.91Å; L124-V154 HydrophobicContact CD1-CG2 3.72Å; L124-V154 HydrophobicContact CD2-CG2 3.75Å; L124-V154 HydrophobicContact CG-CG2 3.87Å |
| 125 | I | 96.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 134 | 172.2 | -64.6 | 169 | 0 | 0 | 0 | 108.5 | V65 L139 Y140 V143 L151 R152 T153 V154 | V65-I125 HydrophobicContact CG2-CG2 3.64Å; I125-L139 HydrophobicContact CD1-CB 4.12Å; I125-L139 HydrophobicContact CG2-CD1 4.07Å; I125-Y140 HydrophobicContact CD1-CD2 4.26Å; I125-Y140 HydrophobicContact CD1-CE2 4.29Å; I125-V143 HydrophobicContact CD1-CG2 4.13Å; I125-L151 HydrophobicContact CD1-CD1 3.8Å; I125-L151 HydrophobicContact CD1-CD2 4.41Å; I125-L151 HydrophobicContact CD1-CG 4.39Å; I125-L151 HydrophobicContact CG1-CD1 3.96Å; I125-R152 PolarHBondContact N-O 3.16Å; I125-T153 HydrophobicContact CB-CG2 4.27Å; I125-T153 HydrophobicContact CG2-CG2 4.23Å; I125-T153 CarbonylContact O-C 3.47Å; I125-T153 VanDerWaalsContact O-CA 3.29Å; I125-T153 WeakPolarHBondContact O-CA 3.3Å; I125-V154 PolarHBondContact O-N 3.34Å |
| 126 | I | 97.6 | Very high | 90 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 112.5 | 172.7 | -49.7 | -59.2 | 0 | 0 | 0 | 108.4 | V62 I63 V65 A69 F72 F73 F76 L124 V154 | V62-I126 HydrophobicContact CG1-CD1 4.05Å; V62-I126 HydrophobicContact CG1-CG1 3.57Å; I63-I126 PolarHBondContact O-N 3.44Å; V65-I126 PolarHBondContact N-O 2.77Å; A69-I126 WeakPolarHBondContact CB-O 3.5Å; F72-I126 HydrophobicContact CD1-CG2 3.47Å; F72-I126 VanDerWaalsContact CD1-CG2 3.47Å; F72-I126 HydrophobicContact CE1-CG2 3.63Å; F72-I126 HydrophobicContact CG-CG2 4.4Å; F73-I126 HydrophobicContact CB-CG2 4.14Å; F73-I126 HydrophobicContact CD2-CB 3.98Å; F73-I126 HydrophobicContact CD2-CG1 3.86Å; F73-I126 HydrophobicContact CD2-CG2 4.38Å; F73-I126 HydrophobicContact CE2-CG1 4.46Å; F76-I126 HydrophobicContact CD1-CD1 3.87Å; F76-I126 HydrophobicContact CD1-CG1 4.43Å; F76-I126 HydrophobicContact CE1-CD1 3.76Å; F76-I126 HydrophobicContact CG-CD1 4.36Å; F76-I126 HydrophobicContact CZ-CD1 4.16Å; L124-I126 HydrophobicContact CD2-CD1 3.88Å; L124-I126 HydrophobicContact CG-CD1 3.97Å; I126-V154 WeakPolarHBondContact CA-O 3.43Å; I126-V154 HydrophobicContact CD1-CB 3.72Å; I126-V154 HydrophobicContact CD1-CG2 3.73Å |
| 127 | E | 94.9 | Very high | 91.6 | Very high | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.056 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 154.4 | 179.6 | -170.9 | 66.1 | -88.6 | 0 | 0 | 109.9 | V65 L139 T153 V154 S155 L156 | V65-E127 VanDerWaalsContact CB-OE1 3.28Å; V65-E127 WeakPolarHBondContact CB-OE1 3.22Å; V65-E127 VanDerWaalsContact CG1-OE1 3.27Å; V65-E127 WeakPolarHBondContact CG1-OE1 3.22Å; V65-E127 WeakPolarHBondContact CG1-OE2 3.42Å; E127-L139 WeakPolarHBondContact OE2-CD1 3.45Å; E127-T153 HydrophobicContact CB-CG2 4.37Å; E127-V154 PolarHBondContact N-O 3.09Å; E127-S155 WeakPolarHBondContact O-CA 3.41Å; E127-L156 PolarHBondContact O-N 3.08Å |
| 128 | D | 96.7 | Very high | 92.6 | Very high | 22 Ų | 22 | 32 Ų | 32 | 12% | 0.118 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | -49.1 | 177.3 | 65.6 | -20.7 | 0 | 0 | 0 | 112 | G68 A69 L156 L157 F186 | G68-D128 WeakPolarHBondContact CA-OD2 3.38Å; A69-D128 HydrophobicContact CB-CB 4.16Å; D128-L156 WeakPolarHBondContact O-CB 3.32Å; D128-L156 PolarHBondContact O-N 2.83Å; D128-L157 PolarHBondContact O-N 3.45Å; D128-F186 HydrophobicContact CB-CD1 4.13Å; D128-F186 HydrophobicContact CB-CE1 3.35Å; D128-F186 HydrophobicContact CB-CZ 3.83Å; D128-F186 VanDerWaalsContact CG-CE1 3.48Å; D128-F186 WeakPolarHBondContact O-CZ 3.35Å; D128-F186 WeakPolarHBondContact OD2-CD1 3.29Å; D128-F186 WeakPolarHBondContact OD2-CE1 3.17Å |
| 129 | I | 96.3 | Very high | 93.1 | Very high | 37 Ų | 37 | 31.7 Ų | 31.7 | 19% | 0.19 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 134 | -176.7 | -172.2 | 158.5 | 0 | 0 | 0 | 113.3 | L157 K159 I176 V181 F186 | I129-L157 CarbonylContact C-O 3.56Å; I129-L157 VanDerWaalsContact CA-O 3.3Å; I129-L157 WeakPolarHBondContact CA-O 3.19Å; I129-L157 HydrophobicContact CB-CB 4.1Å; I129-L157 HydrophobicContact CD1-CB 3.96Å; I129-L157 HydrophobicContact CD1-CD1 4.12Å; I129-L157 HydrophobicContact CG1-CB 3.83Å; I129-K159 HydrophobicContact CD1-CD 4.4Å; I129-K159 HydrophobicContact CD1-CG 3.93Å; I129-K159 HydrophobicContact CG1-CG 4.39Å; I129-I176 HydrophobicContact CD1-CD1 4.22Å; I129-V181 HydrophobicContact CD1-CG2 3.9Å; I129-F186 HydrophobicContact CB-CE1 3.69Å; I129-F186 HydrophobicContact CB-CZ 4.41Å; I129-F186 HydrophobicContact CG2-CD1 4.22Å; I129-F186 HydrophobicContact CG2-CE1 3.82Å |
| 130 | V | 95.2 | Very high | 93.4 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 108.7 | 166.1 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | L136 S155 L157 S158 K159 A165 A169 | V130-L136 HydrophobicContact CG2-CD2 4.08Å; V130-S155 PolarHBondContact N-OG 2.66Å; V130-L157 PolarHBondContact N-O 3.19Å; V130-S158 WeakPolarHBondContact O-CA 3.46Å; V130-K159 PolarHBondContact O-N 3.48Å; V130-A165 HydrophobicContact CG1-CB 4.37Å; V130-A169 HydrophobicContact CG2-CB 4.15Å |
| 131 | D | 93.5 | Very high | 93.4 | Very high | 35 Ų | 35 | 31.3 Ų | 31.3 | 19% | 0.187 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -94.5 | -114.9 | 170.2 | -165.9 | -49.7 | 0 | 0 | 0 | 108.1 | G133 K159 L161 A165 | D131-G133 PolarHBondContact O-N 3.42Å; D131-K159 HydrophobicContact CB-CD 4.45Å; D131-K159 WeakPolarHBondContact OD2-CD 3.35Å; D131-K159 WeakPolarHBondContact OD2-CE 3.46Å; D131-K159 IonicContact OD2-NZ 3Å; D131-K159 PolarHBondContact OD2-NZ 2.95Å; D131-L161 WeakPolarHBondContact OD1-CD1 3.17Å; D131-A165 WeakPolarHBondContact O-CB 3.1Å |
| 132 | T | 92.1 | Very high | 93.2 | Very high | 49 Ų | 49 | 32 Ų | 32 | 30% | 0.301 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -60.2 | -12.2 | 177.5 | 65.5 | 0 | 0 | 0 | 0 | 116.3 | K134 L161 A165 V166 | T132-K134 VanDerWaalsContact C-N 3.26Å; T132-K134 PolarHBondContact O-N 2.91Å; T132-L161 HydrophobicContact CG2-CD1 4.38Å; T132-A165 VanDerWaalsContact O-CA 3.3Å; T132-A165 WeakPolarHBondContact O-CA 3.34Å; T132-V166 PolarHBondContact O-N 2.69Å |
| 133 | G | 92.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 30.4 Ų | 30.4 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 78.3 | -7.1 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | D131 T135 L136 E137 V166 K167 | D131-G133 PolarHBondContact O-N 3.42Å; G133-T135 VanDerWaalsContact C-N 3.31Å; G133-T135 PolarHBondContact O-N 3.35Å; G133-L136 PolarHBondContact O-N 3.38Å; G133-L136 VanDerWaalsContact O-N 3.1Å; G133-E137 PolarHBondContact O-N 3.36Å; G133-V166 VanDerWaalsContact C-CG2 3.48Å; G133-K167 WeakPolarHBondContact CA-O 3.27Å |
| 134 | K | 90.8 | Very high | 92.7 | Very high | 116 Ų | 116 | 35.3 Ų | 35.3 | 50% | 0.504 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.9 | -40.4 | -179.3 | -67.4 | 178.9 | 178.9 | 178.4 | 0 | 113.1 | T132 L136 E137 K138 V166 | T132-K134 VanDerWaalsContact C-N 3.26Å; T132-K134 PolarHBondContact O-N 2.91Å; K134-L136 VanDerWaalsContact C-N 3.31Å; K134-L136 PolarHBondContact O-N 2.98Å; K134-E137 PolarHBondContact O-N 2.89Å; K134-K138 PolarHBondContact O-N 3.38Å; K134-K138 VanDerWaalsContact O-N 3.12Å; K134-V166 HydrophobicContact CG-CG2 4.22Å |
| 135 | T | 88.8 | Confident | 92.2 | Very high | 21 Ų | 21 | 39 Ų | 39 | 13% | 0.129 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.7 | -45 | 175.7 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | M98 G133 K138 L139 | M98-T135 HydrophobicContact CE-CG2 3.11Å; M98-T135 HydrophobicContact SD-CG2 4.18Å; G133-T135 VanDerWaalsContact C-N 3.31Å; G133-T135 PolarHBondContact O-N 3.35Å; T135-K138 PolarHBondContact O-N 3.39Å; T135-L139 PolarHBondContact O-N 3.06Å |
| 136 | L | 92.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70.7 | -38.4 | -179.8 | -172.4 | 57.6 | 0 | 0 | 0 | 112.6 | V130 G133 K134 K138 L139 Y140 T153 K167 A169 | V130-L136 HydrophobicContact CG2-CD2 4.08Å; G133-L136 PolarHBondContact O-N 3.38Å; G133-L136 VanDerWaalsContact O-N 3.1Å; K134-L136 VanDerWaalsContact C-N 3.31Å; K134-L136 PolarHBondContact O-N 2.98Å; L136-K138 VanDerWaalsContact C-N 3.34Å; L136-K138 PolarHBondContact O-N 3Å; L136-L139 HydrophobicContact CD1-CD1 4.24Å; L136-L139 PolarHBondContact O-N 3.43Å; L136-Y140 HydrophobicContact CD1-CD2 4.05Å; L136-Y140 HydrophobicContact CD1-CE2 3.78Å; L136-Y140 HydrophobicContact CG-CD2 4.25Å; L136-Y140 HydrophobicContact CG-CE2 4.04Å; L136-Y140 VanDerWaalsContact O-CD2 3.31Å; L136-Y140 WeakPolarHBondContact O-CD2 3.42Å; L136-Y140 PolarHBondContact O-N 3.18Å; L136-T153 HydrophobicContact CD1-CG2 3.71Å; L136-T153 HydrophobicContact CD2-CG2 4.2Å; L136-K167 HydrophobicContact CD2-CG 4.18Å; L136-K167 HydrophobicContact CG-CD 4.08Å; L136-K167 HydrophobicContact CG-CG 4.26Å; L136-A169 HydrophobicContact CD2-CB 4.4Å |
| 137 | E | 93 | Very high | 91.5 | Very high | 94 Ų | 94 | 49.5 Ų | 49.5 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.8 | -50.5 | 173.1 | -177.8 | 176.1 | -122 | 0 | 0 | 110.8 | G133 K134 L139 Y140 D141 V166 K167 | G133-E137 PolarHBondContact O-N 3.36Å; K134-E137 PolarHBondContact O-N 2.89Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.34Å; E137-Y140 WeakPolarHBondContact O-CB 3.46Å; E137-Y140 PolarHBondContact O-N 2.65Å; E137-Y140 VanDerWaalsContact O-N 3.09Å; E137-D141 PolarHBondContact O-N 3.42Å; E137-D141 VanDerWaalsContact O-N 3.15Å; E137-V166 HydrophobicContact CB-CG2 4.24Å; E137-K167 HydrophobicContact CB-CB 4.4Å; E137-K167 HydrophobicContact CB-CD 4.3Å |
| 138 | K | 89.4 | Confident | 91.5 | Very high | 87 Ų | 87 | 50 Ų | 50 | 38% | 0.378 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -65.4 | -34.6 | 178.7 | -170.9 | 151.1 | 179.4 | -177 | 0 | 113.5 | I109 K134 T135 L136 Y140 D141 V142 | I109-K138 HydrophobicContact CB-CD 4.02Å; I109-K138 HydrophobicContact CD1-CD 4.36Å; I109-K138 HydrophobicContact CG2-CD 4.25Å; I109-K138 PolarHBondContact O-NZ 3.43Å; K134-K138 PolarHBondContact O-N 3.38Å; K134-K138 VanDerWaalsContact O-N 3.12Å; T135-K138 PolarHBondContact O-N 3.39Å; L136-K138 VanDerWaalsContact C-N 3.34Å; L136-K138 PolarHBondContact O-N 3Å; K138-Y140 VanDerWaalsContact C-N 3.3Å; K138-Y140 PolarHBondContact O-N 3.28Å; K138-D141 PolarHBondContact O-N 2.97Å; K138-V142 WeakPolarHBondContact O-CG2 3.36Å; K138-V142 PolarHBondContact O-N 3.39Å; K138-V142 VanDerWaalsContact O-N 3.15Å |
| 139 | L | 89.7 | Confident | 91.4 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 172 | -80.5 | 171.9 | 0 | 0 | 0 | 112.2 | V65 L96 M98 I125 E127 T135 L136 E137 V142 V143 | V65-L139 HydrophobicContact CG1-CD1 4.48Å; V65-L139 HydrophobicContact CG2-CD1 3.64Å; V65-L139 HydrophobicContact CG2-CD2 4.46Å; L96-L139 HydrophobicContact CD1-CD2 3.86Å; M98-L139 HydrophobicContact CE-CD1 3.31Å; M98-L139 HydrophobicContact CE-CD2 3.45Å; M98-L139 VanDerWaalsContact CE-CD2 3.45Å; M98-L139 HydrophobicContact CE-CG 3.21Å; M98-L139 HydrophobicContact CG-CD2 4.19Å; M98-L139 HydrophobicContact SD-CD1 4.35Å; M98-L139 HydrophobicContact SD-CD2 3.5Å; M98-L139 WeakPolarHBondContact SD-CD2 3.46Å; M98-L139 HydrophobicContact SD-CG 3.58Å; M98-L139 VanDerWaalsContact SD-CG 3.58Å; I125-L139 HydrophobicContact CD1-CB 4.12Å; I125-L139 HydrophobicContact CG2-CD1 4.07Å; E127-L139 WeakPolarHBondContact OE2-CD1 3.45Å; T135-L139 PolarHBondContact O-N 3.06Å; L136-L139 HydrophobicContact CD1-CD1 4.24Å; L136-L139 PolarHBondContact O-N 3.43Å; E137-L139 VanDerWaalsContact C-N 3.34Å; E137-L139 PolarHBondContact O-N 3.34Å; L139-V142 PolarHBondContact O-N 3.02Å; L139-V143 WeakPolarHBondContact O-CG2 3.13Å; L139-V143 PolarHBondContact O-N 3.2Å |
| 140 | Y | 92.4 | Very high | 91.4 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 6% | 0.055 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 177.1 | -91.4 | -121.2 | 0 | 0 | 0 | 111.1 | I125 L136 E137 K138 V142 V143 Q144 L151 R152 T153 K167 D170 | I125-Y140 HydrophobicContact CD1-CD2 4.26Å; I125-Y140 HydrophobicContact CD1-CE2 4.29Å; L136-Y140 HydrophobicContact CD1-CD2 4.05Å; L136-Y140 HydrophobicContact CD1-CE2 3.78Å; L136-Y140 HydrophobicContact CG-CD2 4.25Å; L136-Y140 HydrophobicContact CG-CE2 4.04Å; L136-Y140 VanDerWaalsContact O-CD2 3.31Å; L136-Y140 WeakPolarHBondContact O-CD2 3.42Å; L136-Y140 PolarHBondContact O-N 3.18Å; E137-Y140 WeakPolarHBondContact O-CB 3.46Å; E137-Y140 PolarHBondContact O-N 2.65Å; E137-Y140 VanDerWaalsContact O-N 3.09Å; K138-Y140 VanDerWaalsContact C-N 3.3Å; K138-Y140 PolarHBondContact O-N 3.28Å; Y140-V142 VanDerWaalsContact C-N 3.28Å; Y140-V142 PolarHBondContact O-N 2.9Å; Y140-V143 PolarHBondContact O-N 3.48Å; Y140-Q144 WeakPolarHBondContact O-CB 3.49Å; Y140-Q144 WeakPolarHBondContact O-CG 3.3Å; Y140-Q144 PolarHBondContact O-N 3.3Å; Y140-L151 HydrophobicContact CD1-CD2 3.51Å; Y140-L151 HydrophobicContact CD1-CG 4.02Å; Y140-L151 HydrophobicContact CD2-CD2 4.09Å; Y140-L151 HydrophobicContact CE1-CB 4.24Å; Y140-L151 HydrophobicContact CE1-CD2 3.83Å; Y140-L151 HydrophobicContact CE1-CG 3.78Å; Y140-L151 HydrophobicContact CE2-CD2 4.41Å; Y140-L151 HydrophobicContact CE2-CG 4.4Å; Y140-L151 HydrophobicContact CG-CD2 3.64Å; Y140-L151 HydrophobicContact CG-CG 4.39Å; Y140-R152 WeakPolarHBondContact OH-CA 3.49Å; Y140-T153 WeakPolarHBondContact CE2-OG1 3.46Å; Y140-T153 PolarHBondContact OH-OG1 3.05Å; Y140-K167 VanDerWaalsContact CD1-NZ 3.26Å; Y140-K167 HydrophobicContact CD2-CD 4.11Å; Y140-K167 VanDerWaalsContact CE1-CE 3.46Å; Y140-K167 HydrophobicContact CE2-CD 4.37Å; Y140-K167 HydrophobicContact CG-CD 4.25Å; Y140-K167 VanDerWaalsContact CZ-CE 3.43Å; Y140-D170 PolarHBondContact OH-OD2 2.87Å; Y140-D170 VanDerWaalsContact OH-OD2 3.13Å |
| 141 | D | 89.6 | Confident | 91.5 | Very high | 104 Ų | 104 | 54.3 Ų | 54.3 | 56% | 0.556 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -56.9 | -44.2 | 176.8 | -65.6 | -20.9 | 0 | 0 | 0 | 111.7 | E137 K138 A145 | E137-D141 PolarHBondContact O-N 3.42Å; E137-D141 VanDerWaalsContact O-N 3.15Å; K138-D141 PolarHBondContact O-N 2.97Å; D141-A145 PolarHBondContact O-N 2.75Å |
| 142 | V | 87.3 | Confident | 91.7 | Very high | 36 Ų | 36 | 56.1 Ų | 56.1 | 22% | 0.218 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.8 | -48.6 | 179.4 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | V111 V114 K138 L139 Y140 A145 Y146 | V111-V142 HydrophobicContact CB-CG2 4.24Å; V111-V142 HydrophobicContact CG1-CG1 4.08Å; V111-V142 HydrophobicContact CG1-CG2 4.21Å; V111-V142 HydrophobicContact CG2-CG2 4.08Å; V114-V142 HydrophobicContact CG2-CG1 3.91Å; K138-V142 WeakPolarHBondContact O-CG2 3.36Å; K138-V142 PolarHBondContact O-N 3.39Å; K138-V142 VanDerWaalsContact O-N 3.15Å; L139-V142 PolarHBondContact O-N 3.02Å; Y140-V142 VanDerWaalsContact C-N 3.28Å; Y140-V142 PolarHBondContact O-N 2.9Å; V142-A145 WeakPolarHBondContact O-CB 3.33Å; V142-Y146 VanDerWaalsContact O-CD2 3.27Å; V142-Y146 WeakPolarHBondContact O-CD2 3.28Å; V142-Y146 WeakPolarHBondContact O-CE2 3.5Å |
| 143 | V | 89.5 | Confident | 91.9 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -76.9 | -35.1 | -174.3 | 179.3 | 0 | 0 | 0 | 0 | 111.6 | I63 L96 V114 T123 I125 L139 Y140 A145 Y146 L151 | I63-V143 HydrophobicContact CD1-CG1 4.21Å; I63-V143 HydrophobicContact CD1-CG2 4.09Å; L96-V143 HydrophobicContact CD1-CG2 4.08Å; V114-V143 HydrophobicContact CG2-CG2 4.1Å; T123-V143 HydrophobicContact CG2-CG1 3.92Å; I125-V143 HydrophobicContact CD1-CG2 4.13Å; L139-V143 WeakPolarHBondContact O-CG2 3.13Å; L139-V143 PolarHBondContact O-N 3.2Å; Y140-V143 PolarHBondContact O-N 3.48Å; V143-A145 PolarHBondContact O-N 3.09Å; V143-Y146 PolarHBondContact O-N 3.33Å; V143-Y146 VanDerWaalsContact O-N 3.12Å; V143-L151 HydrophobicContact CB-CD1 4.29Å; V143-L151 HydrophobicContact CB-CD2 3.91Å; V143-L151 HydrophobicContact CG1-CD1 3.63Å; V143-L151 HydrophobicContact CG1-CD2 3.97Å; V143-L151 HydrophobicContact CG1-CG 4.44Å |
| 144 | Q | 91 | Very high | 92.2 | Very high | 103 Ų | 103 | 53.6 Ų | 53.6 | 48% | 0.481 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.7 | -25.9 | 177.1 | -74.9 | -176.3 | -10.7 | 0 | 0 | 113 | Y140 Y146 K147 L151 | Y140-Q144 WeakPolarHBondContact O-CB 3.49Å; Y140-Q144 WeakPolarHBondContact O-CG 3.3Å; Y140-Q144 PolarHBondContact O-N 3.3Å; Q144-Y146 PolarHBondContact O-N 3.47Å; Q144-Y146 VanDerWaalsContact O-N 3.12Å; Q144-K147 PolarHBondContact O-N 2.75Å; Q144-L151 HydrophobicContact CG-CD2 3.74Å |
| 145 | A | 88.1 | Confident | 92.5 | Very high | 77 Ų | 77 | 48 Ų | 48 | 64% | 0.636 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -25 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D141 V142 V143 K147 | D141-A145 PolarHBondContact O-N 2.75Å; V142-A145 WeakPolarHBondContact O-CB 3.33Å; V143-A145 PolarHBondContact O-N 3.09Å; A145-K147 VanDerWaalsContact C-N 3.34Å |
| 146 | Y | 86.7 | Confident | 93 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 22% | 0.22 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2.9 | 176.3 | -60.5 | -93 | 0 | 0 | 0 | 113.3 | V114 T119 V142 V143 Q144 | V114-Y146 HydrophobicContact CB-CD2 4.09Å; V114-Y146 HydrophobicContact CB-CE1 4.45Å; V114-Y146 HydrophobicContact CB-CE2 3.61Å; V114-Y146 HydrophobicContact CG1-CD2 4.49Å; V114-Y146 HydrophobicContact CG1-CE2 4.46Å; V114-Y146 HydrophobicContact CG2-CD2 4.42Å; V114-Y146 HydrophobicContact CG2-CE2 3.95Å; V114-Y146 PolarHBondContact N-OH 2.78Å; V114-Y146 WeakPolarHBondContact O-CE1 3.33Å; V114-Y146 VanDerWaalsContact O-CZ 3.28Å; V114-Y146 PolarHBondContact O-OH 3.2Å; T119-Y146 WeakPolarHBondContact CA-O 3.16Å; T119-Y146 WeakPolarHBondContact CB-O 3.2Å; T119-Y146 WeakPolarHBondContact CG2-O 3.22Å; T119-Y146 PolarHBondContact OG1-O 3.06Å; V142-Y146 VanDerWaalsContact O-CD2 3.27Å; V142-Y146 WeakPolarHBondContact O-CD2 3.28Å; V142-Y146 WeakPolarHBondContact O-CE2 3.5Å; V143-Y146 PolarHBondContact O-N 3.33Å; V143-Y146 VanDerWaalsContact O-N 3.12Å; Q144-Y146 PolarHBondContact O-N 3.47Å; Q144-Y146 VanDerWaalsContact O-N 3.12Å |
| 147 | K | 91.4 | Very high | 93.3 | Very high | 164 Ų | 164 | 47 Ų | 47 | 71% | 0.713 | 24% | 0.236 | S | C | * | . | trans | 54.1 | 58.8 | 175.4 | -54.1 | 178.1 | -176.9 | 178.3 | 0 | 113.5 | G120 Q144 A145 | G120-K147 PolarHBondContact N-O 3.14Å; Q144-K147 PolarHBondContact O-N 2.75Å; A145-K147 VanDerWaalsContact C-N 3.34Å | ||
| 148 | P | 94.3 | Very high | 93.5 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | trans | -64.2 | 153.5 | 171.1 | 31 | -35.9 | 0 | 0 | 0 | 110.6 | M121 S150 L151 | M121-P148 CarbonylContact O-C 3.55Å; M121-P148 VanDerWaalsContact O-CA 3.3Å; M121-P148 WeakPolarHBondContact O-CA 3.45Å; M121-P148 VanDerWaalsContact O-CB 3.22Å; M121-P148 WeakPolarHBondContact O-CB 3.17Å; P148-S150 VanDerWaalsContact C-N 3.27Å; P148-S150 PolarHBondContact O-N 2.97Å; P148-L151 HydrophobicContact CG-CB 4.05Å | ||
| 149 | I | 95.6 | Very high | 93.8 | Very high | 110 Ų | 110 | 39.8 Ų | 39.8 | 56% | 0.564 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -61.9 | -41.4 | 173.7 | -67.3 | 168.4 | 0 | 0 | 0 | 110 | G120 M121 H122 | G120-I149 WeakPolarHBondContact O-CD1 3.23Å; G120-I149 WeakPolarHBondContact O-CG1 3.28Å; M121-I149 PolarHBondContact O-N 2.74Å; H122-I149 WeakPolarHBondContact CE1-CG2 3.36Å |
| 150 | S | 96.8 | Very high | 94.1 | Very high | 22 Ų | 22 | 42.6 Ų | 42.6 | 15% | 0.154 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 149.1 | 169.7 | 70.5 | 0 | 0 | 0 | 0 | 109.7 | H122 T123 P148 R152 | H122-S150 PolarHBondContact ND1-OG 2.78Å; T123-S150 PolarHBondContact N-O 3.14Å; P148-S150 VanDerWaalsContact C-N 3.27Å; P148-S150 PolarHBondContact O-N 2.97Å; S150-R152 PolarHBondContact OG-NH1 2.76Å |
| 151 | L | 96.1 | Very high | 94.1 | Very high | 22 Ų | 22 | 44 Ų | 44 | 12% | 0.115 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.1 | 171.9 | -177.1 | 58.5 | 0 | 0 | 0 | 109.2 | T123 I125 Y140 V143 Q144 P148 | T123-L151 HydrophobicContact CG2-CD1 3.79Å; T123-L151 WeakPolarHBondContact O-CA 3.44Å; I125-L151 HydrophobicContact CD1-CD1 3.8Å; I125-L151 HydrophobicContact CD1-CD2 4.41Å; I125-L151 HydrophobicContact CD1-CG 4.39Å; I125-L151 HydrophobicContact CG1-CD1 3.96Å; Y140-L151 HydrophobicContact CD1-CD2 3.51Å; Y140-L151 HydrophobicContact CD1-CG 4.02Å; Y140-L151 HydrophobicContact CD2-CD2 4.09Å; Y140-L151 HydrophobicContact CE1-CB 4.24Å; Y140-L151 HydrophobicContact CE1-CD2 3.83Å; Y140-L151 HydrophobicContact CE1-CG 3.78Å; Y140-L151 HydrophobicContact CE2-CD2 4.41Å; Y140-L151 HydrophobicContact CE2-CG 4.4Å; Y140-L151 HydrophobicContact CG-CD2 3.64Å; Y140-L151 HydrophobicContact CG-CG 4.39Å; V143-L151 HydrophobicContact CB-CD1 4.29Å; V143-L151 HydrophobicContact CB-CD2 3.91Å; V143-L151 HydrophobicContact CG1-CD1 3.63Å; V143-L151 HydrophobicContact CG1-CD2 3.97Å; V143-L151 HydrophobicContact CG1-CG 4.44Å; Q144-L151 HydrophobicContact CG-CD2 3.74Å; P148-L151 HydrophobicContact CG-CB 4.05Å |
| 152 | R | 97.7 | Very high | 94.2 | Very high | 72 Ų | 72 | 44.5 Ų | 44.5 | 27% | 0.272 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 168.2 | 174.7 | -68 | -170.2 | -178.1 | 85.3 | -1.7 | 111.2 | Y55 T123 L124 I125 Y140 S150 D170 | Y55-R152 PolarHBondContact OH-NH1 3.35Å; T123-R152 PolarHBondContact O-N 2.87Å; L124-R152 CarbonylContact C-O 3.51Å; L124-R152 WeakPolarHBondContact CA-O 3.36Å; L124-R152 HydrophobicContact CD1-CB 3.91Å; I125-R152 PolarHBondContact N-O 3.16Å; Y140-R152 WeakPolarHBondContact OH-CA 3.49Å; S150-R152 PolarHBondContact OG-NH1 2.76Å; R152-D170 WeakPolarHBondContact CA-OD2 3.49Å; R152-D170 HydrophobicContact CB-CB 4.22Å; R152-D170 WeakPolarHBondContact CB-OD2 3.47Å; R152-D170 HydrophobicContact CG-CB 4.4Å |
| 153 | T | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137 | -179.8 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | I125 E127 L136 Y140 A169 D170 F171 | I125-T153 HydrophobicContact CB-CG2 4.27Å; I125-T153 HydrophobicContact CG2-CG2 4.23Å; I125-T153 CarbonylContact O-C 3.47Å; I125-T153 VanDerWaalsContact O-CA 3.29Å; I125-T153 WeakPolarHBondContact O-CA 3.3Å; E127-T153 HydrophobicContact CB-CG2 4.37Å; L136-T153 HydrophobicContact CD1-CG2 3.71Å; L136-T153 HydrophobicContact CD2-CG2 4.2Å; Y140-T153 WeakPolarHBondContact CE2-OG1 3.46Å; Y140-T153 PolarHBondContact OH-OG1 3.05Å; T153-A169 HydrophobicContact CG2-CB 3.81Å; T153-D170 PolarHBondContact N-OD2 2.91Å; T153-D170 PolarHBondContact O-N 3.01Å; T153-D170 VanDerWaalsContact O-N 3.1Å; T153-F171 PolarHBondContact O-N 3.22Å |
| 154 | V | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 127.3 | 160.9 | -168.3 | 0 | 0 | 0 | 0 | 107.8 | L47 V51 F72 F76 L124 I125 I126 E127 F171 | L47-V154 HydrophobicContact CD1-CG1 3.94Å; V51-V154 HydrophobicContact CG2-CG2 4.01Å; F72-V154 HydrophobicContact CE1-CG1 3.93Å; F72-V154 HydrophobicContact CZ-CG1 3.72Å; F76-V154 HydrophobicContact CD2-CG1 4.41Å; F76-V154 HydrophobicContact CE2-CB 4.47Å; F76-V154 HydrophobicContact CE2-CG1 4.01Å; F76-V154 HydrophobicContact CE2-CG2 4.07Å; F76-V154 HydrophobicContact CZ-CG2 3.98Å; L124-V154 HydrophobicContact CD1-CG2 3.72Å; L124-V154 HydrophobicContact CD2-CG2 3.75Å; L124-V154 HydrophobicContact CG-CG2 3.87Å; I125-V154 PolarHBondContact O-N 3.34Å; I126-V154 WeakPolarHBondContact CA-O 3.43Å; I126-V154 HydrophobicContact CD1-CB 3.72Å; I126-V154 HydrophobicContact CD1-CG2 3.73Å; E127-V154 PolarHBondContact N-O 3.09Å; V154-F171 CarbonylContact C-O 3.58Å; V154-F171 WeakPolarHBondContact CA-O 3.08Å; V154-F171 HydrophobicContact CB-CB 4.26Å; V154-F171 HydrophobicContact CG1-CB 4.02Å; V154-F171 HydrophobicContact CG2-CB 4.04Å; V154-F171 HydrophobicContact CG2-CD2 4.07Å; V154-F171 HydrophobicContact CG2-CG 4.34Å |
| 155 | S | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 138.7 | 169 | -171.4 | 0 | 0 | 0 | 0 | 110.3 | E127 V130 L157 F171 V172 G173 | E127-S155 WeakPolarHBondContact O-CA 3.41Å; V130-S155 PolarHBondContact N-OG 2.66Å; S155-L157 PolarHBondContact OG-O 3.14Å; S155-F171 PolarHBondContact N-O 2.62Å; S155-V172 WeakPolarHBondContact O-CA 3.38Å; S155-G173 PolarHBondContact O-N 3.25Å |
| 156 | L | 98.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | -47.1 | 174.6 | 178.2 | 60.2 | 0 | 0 | 0 | 110.1 | V40 F72 E127 D128 G173 F174 Y184 F186 | V40-L156 HydrophobicContact CG1-CD1 3.85Å; V40-L156 HydrophobicContact CG1-CD2 4.11Å; V40-L156 HydrophobicContact CG2-CD1 4.46Å; V40-L156 HydrophobicContact CG2-CD2 4.41Å; F72-L156 HydrophobicContact CB-CB 4.49Å; F72-L156 HydrophobicContact CB-CD2 4.35Å; F72-L156 HydrophobicContact CD1-CB 3.76Å; F72-L156 HydrophobicContact CD2-CB 4.1Å; F72-L156 HydrophobicContact CD2-CD1 4.07Å; F72-L156 HydrophobicContact CD2-CD2 4.37Å; F72-L156 HydrophobicContact CD2-CG 4.41Å; F72-L156 HydrophobicContact CE1-CB 3.92Å; F72-L156 HydrophobicContact CE2-CB 4.25Å; F72-L156 HydrophobicContact CE2-CD1 4.02Å; F72-L156 HydrophobicContact CG-CB 3.86Å; F72-L156 HydrophobicContact CG-CD2 4.35Å; F72-L156 HydrophobicContact CZ-CB 4.17Å; E127-L156 PolarHBondContact O-N 3.08Å; D128-L156 WeakPolarHBondContact O-CB 3.32Å; D128-L156 PolarHBondContact O-N 2.83Å; L156-G173 CarbonylContact O-C 3.55Å; L156-G173 WeakPolarHBondContact O-CA 3.43Å; L156-G173 PolarHBondContact O-N 2.88Å; L156-F174 HydrophobicContact CD1-CD2 3.91Å; L156-F174 HydrophobicContact CD1-CE2 3.87Å; L156-F174 PolarHBondContact O-N 3.47Å; L156-Y184 HydrophobicContact CD2-CD1 3.75Å; L156-Y184 HydrophobicContact CD2-CE1 3.87Å; L156-F186 HydrophobicContact CD2-CE2 4.18Å; L156-F186 HydrophobicContact CD2-CZ 4.26Å |
| 157 | L | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 145.3 | -175.8 | -53.3 | -177.1 | 0 | 0 | 0 | 112 | I35 D128 I129 V130 S155 F174 I176 V181 F186 V198 | I35-L157 HydrophobicContact CD1-CD2 3.5Å; I35-L157 VanDerWaalsContact CD1-CD2 3.5Å; D128-L157 PolarHBondContact O-N 3.45Å; I129-L157 CarbonylContact C-O 3.56Å; I129-L157 VanDerWaalsContact CA-O 3.3Å; I129-L157 WeakPolarHBondContact CA-O 3.19Å; I129-L157 HydrophobicContact CB-CB 4.1Å; I129-L157 HydrophobicContact CD1-CB 3.96Å; I129-L157 HydrophobicContact CD1-CD1 4.12Å; I129-L157 HydrophobicContact CG1-CB 3.83Å; V130-L157 PolarHBondContact N-O 3.19Å; S155-L157 PolarHBondContact OG-O 3.14Å; L157-F174 CarbonylContact C-O 3.51Å; L157-F174 WeakPolarHBondContact CA-O 3.27Å; L157-F174 HydrophobicContact CD2-CB 3.82Å; L157-F174 HydrophobicContact CD2-CD2 4Å; L157-F174 HydrophobicContact CD2-CG 4.27Å; L157-I176 HydrophobicContact CD1-CD1 4.16Å; L157-I176 HydrophobicContact CD2-CG2 4.1Å; L157-V181 HydrophobicContact CD1-CG2 3.95Å; L157-F186 HydrophobicContact CD1-CD2 4.24Å; L157-F186 HydrophobicContact CD1-CE1 4.07Å; L157-F186 HydrophobicContact CD1-CE2 3.42Å; L157-F186 VanDerWaalsContact CD1-CE2 3.42Å; L157-F186 HydrophobicContact CD1-CZ 3.32Å; L157-F186 HydrophobicContact CG-CE2 4.11Å; L157-F186 HydrophobicContact CG-CZ 3.73Å; L157-V198 HydrophobicContact CD1-CG1 3.99Å |
| 158 | S | 97.2 | Very high | 94.9 | Very high | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 131.7 | 163.5 | -175.8 | 0 | 0 | 0 | 0 | 108.9 | V130 M168 F174 E175 I176 | V130-S158 WeakPolarHBondContact O-CA 3.46Å; S158-M168 WeakPolarHBondContact OG-CE 3.45Å; S158-F174 PolarHBondContact N-O 2.79Å; S158-E175 CarbonylContact O-C 3.54Å; S158-E175 VanDerWaalsContact O-CA 3.28Å; S158-E175 WeakPolarHBondContact O-CA 3.32Å; S158-I176 PolarHBondContact O-N 3.2Å |
| 159 | K | 96.4 | Very high | 95 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 136.6 | 176.9 | -69.8 | -170 | -177 | 172.1 | 0 | 111.3 | I129 V130 D131 L161 I176 D178 R179 | I129-K159 HydrophobicContact CD1-CD 4.4Å; I129-K159 HydrophobicContact CD1-CG 3.93Å; I129-K159 HydrophobicContact CG1-CG 4.39Å; V130-K159 PolarHBondContact O-N 3.48Å; D131-K159 HydrophobicContact CB-CD 4.45Å; D131-K159 WeakPolarHBondContact OD2-CD 3.35Å; D131-K159 WeakPolarHBondContact OD2-CE 3.46Å; D131-K159 IonicContact OD2-NZ 3Å; D131-K159 PolarHBondContact OD2-NZ 2.95Å; K159-L161 HydrophobicContact CB-CD2 3.82Å; K159-L161 HydrophobicContact CB-CG 4.03Å; K159-L161 HydrophobicContact CD-CD2 4.05Å; K159-L161 PolarHBondContact O-N 2.74Å; K159-I176 WeakPolarHBondContact CA-O 3.21Å; K159-I176 HydrophobicContact CG-CD1 4.1Å; K159-I176 HydrophobicContact CG-CG1 3.97Å; K159-D178 IonicContact NZ-OD1 2.65Å; K159-R179 WeakPolarHBondContact CE-O 3.41Å |
| 160 | R | 94.7 | Very high | 95.1 | Very high | 60 Ų | 60 | 48.1 Ų | 48.1 | 23% | 0.226 | 27% | 0.265 | C | S | . | . | trans | -77.9 | 110.8 | 160.1 | -76.6 | -171.6 | -60.2 | -68.4 | -11 | 109.5 | L8 D10 E175 I176 | L8-R160 VanDerWaalsContact O-CZ 3.26Å; L8-R160 PolarHBondContact O-NH1 3.43Å; L8-R160 PolarHBondContact O-NH2 3Å; D10-R160 IonicContact OD1-CZ 3.99Å; D10-R160 IonicContact OD1-NE 2.67Å; D10-R160 PolarHBondContact OD1-NE 2.81Å; D10-R160 VanDerWaalsContact OD1-NE 3.14Å; D10-R160 IonicContact OD1-NH2 3.12Å; D10-R160 PolarHBondContact OD1-NH2 2.9Å; R160-E175 WeakPolarHBondContact CD-OE1 3.25Å; R160-E175 HydrophobicContact CG-CG 3.83Å; R160-E175 WeakPolarHBondContact CG-OE1 3.23Å; R160-E175 IonicContact CZ-OE1 3.39Å; R160-E175 IonicContact NE-OE1 2.72Å; R160-E175 PolarHBondContact NH1-O 3.18Å; R160-E175 IonicContact NH1-OE1 3.14Å; R160-E175 PolarHBondContact NH1-OE1 3.44Å; R160-I176 PolarHBondContact N-O 3.22Å | ||
| 161 | L | 93.2 | Very high | 95.2 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 23% | 0.23 | 27% | 0.265 | C | S | . | . | trans | -112.8 | 159 | 176.9 | -54.2 | 172.8 | 0 | 0 | 0 | 109.7 | D131 T132 K159 K163 D178 | D131-L161 WeakPolarHBondContact OD1-CD1 3.17Å; T132-L161 HydrophobicContact CG2-CD1 4.38Å; K159-L161 HydrophobicContact CB-CD2 3.82Å; K159-L161 HydrophobicContact CB-CG 4.03Å; K159-L161 HydrophobicContact CD-CD2 4.05Å; K159-L161 PolarHBondContact O-N 2.74Å; L161-K163 WeakPolarHBondContact CB-O 3.36Å; L161-K163 PolarHBondContact O-N 3.2Å; L161-D178 HydrophobicContact CD2-CB 4.05Å | ||
| 162 | A | 91.6 | Very high | 95.2 | Very high | 113 Ų | 113 | 48.7 Ų | 48.7 | 93% | 0.934 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -61.4 | -29.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 163 | K | 91.2 | Very high | 95.3 | Very high | 172 Ų | 172 | 45.3 Ų | 45.3 | 75% | 0.748 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -105.6 | 132.2 | 172.6 | -68.5 | -177.9 | -178.9 | 177 | 0 | 109.1 | L161 | L161-K163 WeakPolarHBondContact CB-O 3.36Å; L161-K163 PolarHBondContact O-N 3.2Å |
| 164 | P | 87.1 | Confident | 95.3 | Very high | 121 Ų | 121 | 45.6 Ų | 45.6 | 79% | 0.786 | 25% | 0.254 | S | S | * | . | trans | -61.7 | 145.7 | 176.2 | 26.9 | -33.7 | 0 | 0 | 0 | 110.3 | ||||
| 165 | A | 89.4 | Confident | 95.3 | Very high | 23 Ų | 23 | 47.9 Ų | 47.9 | 19% | 0.19 | 27% | 0.265 | C | S | . | . | trans | -61.4 | 144.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | V130 D131 T132 K167 M168 | V130-A165 HydrophobicContact CG1-CB 4.37Å; D131-A165 WeakPolarHBondContact O-CB 3.1Å; T132-A165 VanDerWaalsContact O-CA 3.3Å; T132-A165 WeakPolarHBondContact O-CA 3.34Å; A165-K167 PolarHBondContact O-N 3.42Å; A165-M168 HydrophobicContact CB-SD 3.63Å | ||
| 166 | V | 93.9 | Very high | 95.3 | Very high | 83 Ų | 83 | 47.9 Ų | 47.9 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -66.3 | -22.5 | 175 | -61.1 | 0 | 0 | 0 | 0 | 111.8 | T132 G133 K134 E137 | T132-V166 PolarHBondContact O-N 2.69Å; G133-V166 VanDerWaalsContact C-CG2 3.48Å; K134-V166 HydrophobicContact CG-CG2 4.22Å; E137-V166 HydrophobicContact CB-CG2 4.24Å |
| 167 | K | 92.9 | Very high | 95.2 | Very high | 59 Ų | 59 | 48.1 Ų | 48.1 | 26% | 0.257 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -152.4 | 133.2 | 177 | -166.1 | 171.7 | 179.9 | 80.1 | 0 | 111.2 | G133 L136 E137 Y140 A165 | G133-K167 WeakPolarHBondContact CA-O 3.27Å; L136-K167 HydrophobicContact CD2-CG 4.18Å; L136-K167 HydrophobicContact CG-CD 4.08Å; L136-K167 HydrophobicContact CG-CG 4.26Å; E137-K167 HydrophobicContact CB-CB 4.4Å; E137-K167 HydrophobicContact CB-CD 4.3Å; Y140-K167 VanDerWaalsContact CD1-NZ 3.26Å; Y140-K167 HydrophobicContact CD2-CD 4.11Å; Y140-K167 VanDerWaalsContact CE1-CE 3.46Å; Y140-K167 HydrophobicContact CE2-CD 4.37Å; Y140-K167 HydrophobicContact CG-CD 4.25Å; Y140-K167 VanDerWaalsContact CZ-CE 3.43Å; A165-K167 PolarHBondContact O-N 3.42Å |
| 168 | M | 94.3 | Very high | 95.1 | Very high | 92 Ų | 92 | 53.2 Ų | 53.2 | 45% | 0.453 | 29% | 0.294 | S | S | . | . | trans | -103.7 | 157.2 | 177.4 | -63 | -64.7 | -77.1 | 0 | 0 | 110.8 | S158 A165 | S158-M168 WeakPolarHBondContact OG-CE 3.45Å; A165-M168 HydrophobicContact CB-SD 3.63Å | ||
| 169 | A | 96.9 | Very high | 95 | Very high | 12 Ų | 12 | 55.8 Ų | 55.8 | 10% | 0.099 | 30% | 0.303 | C | S | . | . | trans | -78.8 | 148.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111 | V130 L136 T153 V172 | V130-A169 HydrophobicContact CG2-CB 4.15Å; L136-A169 HydrophobicContact CD2-CB 4.4Å; T153-A169 HydrophobicContact CG2-CB 3.81Å; A169-V172 HydrophobicContact CB-CG2 4.16Å | ||
| 170 | D | 97.5 | Very high | 95 | Very high | 85 Ų | 85 | 56.4 Ų | 56.4 | 46% | 0.455 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -70.5 | -33.7 | 178.1 | -53.1 | -98.8 | 0 | 0 | 0 | 112.3 | Y140 R152 T153 | Y140-D170 PolarHBondContact OH-OD2 2.87Å; Y140-D170 VanDerWaalsContact OH-OD2 3.13Å; R152-D170 WeakPolarHBondContact CA-OD2 3.49Å; R152-D170 HydrophobicContact CB-CB 4.22Å; R152-D170 WeakPolarHBondContact CB-OD2 3.47Å; R152-D170 HydrophobicContact CG-CB 4.4Å; T153-D170 PolarHBondContact N-OD2 2.91Å; T153-D170 PolarHBondContact O-N 3.01Å; T153-D170 VanDerWaalsContact O-N 3.1Å |
| 171 | F | 97.8 | Very high | 95.1 | Very high | 33 Ų | 33 | 54 Ų | 54 | 15% | 0.145 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 123 | 177.2 | -57.2 | -88.7 | 0 | 0 | 0 | 109.3 | L47 D50 V51 L54 T153 V154 S155 | L47-F171 HydrophobicContact CD2-CB 4.19Å; D50-F171 HydrophobicContact CB-CD1 4.38Å; D50-F171 HydrophobicContact CB-CE1 4.14Å; V51-F171 HydrophobicContact CG2-CD1 4.22Å; V51-F171 HydrophobicContact CG2-CD2 4.02Å; V51-F171 HydrophobicContact CG2-CE1 4.11Å; V51-F171 HydrophobicContact CG2-CE2 3.91Å; V51-F171 HydrophobicContact CG2-CG 4.16Å; V51-F171 HydrophobicContact CG2-CZ 3.95Å; L54-F171 HydrophobicContact CD2-CE2 4.19Å; L54-F171 HydrophobicContact CD2-CZ 3.7Å; T153-F171 PolarHBondContact O-N 3.22Å; V154-F171 CarbonylContact C-O 3.58Å; V154-F171 WeakPolarHBondContact CA-O 3.08Å; V154-F171 HydrophobicContact CB-CB 4.26Å; V154-F171 HydrophobicContact CG1-CB 4.02Å; V154-F171 HydrophobicContact CG2-CB 4.04Å; V154-F171 HydrophobicContact CG2-CD2 4.07Å; V154-F171 HydrophobicContact CG2-CG 4.34Å; S155-F171 PolarHBondContact N-O 2.62Å |
| 172 | V | 97.9 | Very high | 95.3 | Very high | 23 Ų | 23 | 51.9 Ų | 51.9 | 14% | 0.139 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 129.8 | -179.1 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | V5 R43 S155 A169 F174 | V5-V172 HydrophobicContact CB-CB 4.22Å; V5-V172 HydrophobicContact CB-CG1 4.47Å; V5-V172 HydrophobicContact CG2-CB 3.82Å; V5-V172 HydrophobicContact CG2-CG1 3.55Å; R43-V172 PolarHBondContact NH2-O 2.89Å; S155-V172 WeakPolarHBondContact O-CA 3.38Å; A169-V172 HydrophobicContact CB-CG2 4.16Å; V172-F174 WeakPolarHBondContact CG1-O 3.41Å |
| 173 | G | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | -66.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.1 | V6 R43 S155 L156 | V6-G173 PolarHBondContact N-O 3.05Å; V6-G173 VanDerWaalsContact N-O 3.14Å; R43-G173 PolarHBondContact NE-O 2.89Å; S155-G173 PolarHBondContact O-N 3.25Å; L156-G173 CarbonylContact O-C 3.55Å; L156-G173 WeakPolarHBondContact O-CA 3.43Å; L156-G173 PolarHBondContact O-N 2.88Å |
| 174 | F | 98.5 | Very high | 96 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141.6 | -176.1 | -55.4 | -95.9 | 0 | 0 | 0 | 111 | V6 I35 E39 V40 R43 L156 L157 S158 V172 I176 | V6-F174 HydrophobicContact CB-CD1 3.67Å; V6-F174 HydrophobicContact CB-CE1 4.04Å; V6-F174 HydrophobicContact CB-CG 4.47Å; V6-F174 HydrophobicContact CG1-CD1 3.76Å; V6-F174 HydrophobicContact CG1-CE1 4.03Å; V6-F174 HydrophobicContact CG2-CD1 4.44Å; V6-F174 HydrophobicContact CG2-CE1 4.38Å; V6-F174 CarbonylContact O-C 3.47Å; V6-F174 VanDerWaalsContact O-CA 3.23Å; V6-F174 WeakPolarHBondContact O-CA 3.36Å; I35-F174 HydrophobicContact CD1-CB 3.89Å; I35-F174 HydrophobicContact CD1-CD1 3.95Å; I35-F174 HydrophobicContact CD1-CD2 3.88Å; I35-F174 HydrophobicContact CD1-CE1 4.46Å; I35-F174 HydrophobicContact CD1-CE2 4.4Å; I35-F174 HydrophobicContact CD1-CG 3.64Å; I35-F174 HydrophobicContact CG1-CD1 4.47Å; I35-F174 HydrophobicContact CG2-CD1 4.48Å; I35-F174 HydrophobicContact CG2-CE1 3.94Å; I35-F174 HydrophobicContact CG2-CE2 4.06Å; I35-F174 HydrophobicContact CG2-CZ 3.7Å; E39-F174 HydrophobicContact CB-CZ 4.34Å; V40-F174 HydrophobicContact CG2-CE2 4.43Å; R43-F174 HydrophobicContact CB-CE1 4.37Å; R43-F174 HydrophobicContact CB-CE2 3.64Å; R43-F174 HydrophobicContact CB-CZ 3.45Å; R43-F174 VanDerWaalsContact CB-CZ 3.45Å; R43-F174 HydrophobicContact CG-CD2 4.24Å; R43-F174 HydrophobicContact CG-CE1 4.42Å; R43-F174 HydrophobicContact CG-CE2 3.63Å; R43-F174 HydrophobicContact CG-CZ 3.74Å; L156-F174 HydrophobicContact CD1-CD2 3.91Å; L156-F174 HydrophobicContact CD1-CE2 3.87Å; L156-F174 PolarHBondContact O-N 3.47Å; L157-F174 CarbonylContact C-O 3.51Å; L157-F174 WeakPolarHBondContact CA-O 3.27Å; L157-F174 HydrophobicContact CD2-CB 3.82Å; L157-F174 HydrophobicContact CD2-CD2 4Å; L157-F174 HydrophobicContact CD2-CG 4.27Å; S158-F174 PolarHBondContact N-O 2.79Å; V172-F174 WeakPolarHBondContact CG1-O 3.41Å; F174-I176 HydrophobicContact CB-CG2 4.13Å |
| 175 | E | 97.5 | Very high | 96.4 | Very high | 47 Ų | 47 | 33 Ų | 33 | 22% | 0.22 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 116 | 166.9 | -161.9 | -167.1 | 79.1 | 0 | 0 | 108.8 | V5 V6 V7 L8 S158 R160 | V5-E175 HydrophobicContact CG2-CB 3.85Å; V6-E175 PolarHBondContact O-N 2.81Å; V7-E175 HydrophobicContact CG2-CB 4.33Å; L8-E175 PolarHBondContact N-O 3.36Å; S158-E175 CarbonylContact O-C 3.54Å; S158-E175 VanDerWaalsContact O-CA 3.28Å; S158-E175 WeakPolarHBondContact O-CA 3.32Å; R160-E175 WeakPolarHBondContact CD-OE1 3.25Å; R160-E175 HydrophobicContact CG-CG 3.83Å; R160-E175 WeakPolarHBondContact CG-OE1 3.23Å; R160-E175 IonicContact CZ-OE1 3.39Å; R160-E175 IonicContact NE-OE1 2.72Å; R160-E175 PolarHBondContact NH1-O 3.18Å; R160-E175 IonicContact NH1-OE1 3.14Å; R160-E175 PolarHBondContact NH1-OE1 3.44Å |
| 176 | I | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 155.1 | -170.2 | 67.8 | 162.3 | 0 | 0 | 0 | 112 | L8 L34 I35 I129 L157 S158 K159 R160 F174 V181 | L8-I176 HydrophobicContact CD1-CG2 3.91Å; L8-I176 HydrophobicContact CG-CG2 4.48Å; L34-I176 HydrophobicContact CD2-CB 4.23Å; L34-I176 HydrophobicContact CD2-CD1 4.27Å; L34-I176 HydrophobicContact CD2-CG2 4.16Å; I35-I176 HydrophobicContact CD1-CG2 4.12Å; I129-I176 HydrophobicContact CD1-CD1 4.22Å; L157-I176 HydrophobicContact CD1-CD1 4.16Å; L157-I176 HydrophobicContact CD2-CG2 4.1Å; S158-I176 PolarHBondContact O-N 3.2Å; K159-I176 WeakPolarHBondContact CA-O 3.21Å; K159-I176 HydrophobicContact CG-CD1 4.1Å; K159-I176 HydrophobicContact CG-CG1 3.97Å; R160-I176 PolarHBondContact N-O 3.22Å; F174-I176 HydrophobicContact CB-CG2 4.13Å; I176-V181 HydrophobicContact CD1-CG1 3.76Å; I176-V181 HydrophobicContact CD1-CG2 4.45Å |
| 177 | P | 96.7 | Very high | 96.8 | Very high | 7 Ų | 7 | 30.1 Ų | 30.1 | 5% | 0.045 | 15% | 0.149 | C | C | . | . | trans | -62 | 163.8 | 169.5 | -17 | 30.3 | 0 | 0 | 0 | 111.3 | A9 R179 | A9-P177 WeakPolarHBondContact O-CG 3.47Å; P177-R179 HydrophobicContact CB-CG 4.42Å; P177-R179 PolarHBondContact O-N 2.76Å | ||
| 178 | D | 96 | Very high | 96.9 | Very high | 106 Ų | 106 | 28.1 Ų | 28.1 | 57% | 0.567 | 14% | 0.14 | S | C | * | . | S | Bend | trans | -70.4 | 79 | 174.5 | -169.2 | 15.4 | 0 | 0 | 0 | 111.7 | K159 L161 | K159-D178 IonicContact NZ-OD1 2.65Å; L161-D178 HydrophobicContact CD2-CB 4.05Å |
| 179 | R | 95.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 24.4 Ų | 24.4 | 22% | 0.215 | 12% | 0.122 | C | C | . | . | trans | -123.3 | 149.1 | 173.1 | -61.4 | -170.3 | -170.5 | 166.6 | 13.4 | 109.4 | D10 F12 K159 P177 V181 V200 | D10-R179 PolarHBondContact O-NH2 2.81Å; F12-R179 VanDerWaalsContact O-CZ 3.3Å; F12-R179 PolarHBondContact O-NH1 2.83Å; F12-R179 VanDerWaalsContact O-NH1 3.09Å; F12-R179 PolarHBondContact O-NH2 3.11Å; K159-R179 WeakPolarHBondContact CE-O 3.41Å; P177-R179 HydrophobicContact CB-CG 4.42Å; P177-R179 PolarHBondContact O-N 2.76Å; R179-V181 PolarHBondContact O-N 3.19Å; R179-V200 HydrophobicContact CB-CG1 4.22Å; R179-V200 HydrophobicContact CB-CG2 4.15Å | ||
| 180 | F | 96.1 | Very high | 96.6 | Very high | 41 Ų | 41 | 29.2 Ų | 29.2 | 18% | 0.18 | 14% | 0.143 | C | C | . | . | trans | -81.7 | 114.3 | 174.9 | -162.2 | -76.1 | 0 | 0 | 0 | 108.9 | D104 V182 Y188 L201 | D104-F180 HydrophobicContact CB-CE2 4.28Å; F180-V182 HydrophobicContact CD1-CG1 4.15Å; F180-V182 HydrophobicContact CE1-CG1 3.97Å; F180-Y188 HydrophobicContact CD1-CD2 4.37Å; F180-Y188 AromaticContact CE1-CD2 3.65Å; F180-Y188 HydrophobicContact CE1-CD2 3.65Å; F180-Y188 HydrophobicContact CE1-CG 4.21Å; F180-Y188 HydrophobicContact CE2-CD2 4.32Å; F180-Y188 AromaticContact CZ-CD2 3.62Å; F180-Y188 HydrophobicContact CZ-CD2 3.62Å; F180-Y188 HydrophobicContact CZ-CE2 4.47Å; F180-Y188 HydrophobicContact CZ-CG 4.5Å; F180-L201 HydrophobicContact CD1-CB 4.08Å; F180-L201 HydrophobicContact CD1-CD2 3.87Å; F180-L201 HydrophobicContact CE1-CD2 4.25Å; F180-L201 PolarHBondContact O-N 3.29Å | ||
| 181 | V | 97.6 | Very high | 96.4 | Very high | 9 Ų | 9 | 29.6 Ų | 29.6 | 6% | 0.055 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 147 | -177.5 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | L34 I129 L157 I176 R179 F186 V198 C199 | L34-V181 HydrophobicContact CD2-CG1 3.86Å; I129-V181 HydrophobicContact CD1-CG2 3.9Å; L157-V181 HydrophobicContact CD1-CG2 3.95Å; I176-V181 HydrophobicContact CD1-CG1 3.76Å; I176-V181 HydrophobicContact CD1-CG2 4.45Å; R179-V181 PolarHBondContact O-N 3.19Å; V181-F186 HydrophobicContact CG2-CB 4.44Å; V181-F186 HydrophobicContact CG2-CD1 4.26Å; V181-F186 HydrophobicContact CG2-CD2 4.23Å; V181-F186 HydrophobicContact CG2-CG 4.04Å; V181-V198 HydrophobicContact CB-CG1 3.9Å; V181-V198 HydrophobicContact CG1-CG1 4.03Å; V181-V198 HydrophobicContact CG2-CG1 4.47Å; V181-C199 CarbonylContact C-O 3.57Å; V181-C199 WeakPolarHBondContact CA-O 3.29Å |
| 182 | V | 97.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 167.9 | 176.4 | -67.4 | 0 | 0 | 0 | 0 | 109.1 | I30 F180 L192 C199 L201 | I30-V182 HydrophobicContact CD1-CG2 3.81Å; F180-V182 HydrophobicContact CD1-CG1 4.15Å; F180-V182 HydrophobicContact CE1-CG1 3.97Å; V182-L192 HydrophobicContact CB-CB 3.95Å; V182-L192 HydrophobicContact CB-CD1 4.15Å; V182-L192 HydrophobicContact CG1-CB 4.47Å; V182-L192 HydrophobicContact CG1-CD1 4.16Å; V182-L192 HydrophobicContact CG2-CB 4.25Å; V182-L192 HydrophobicContact CG2-CD1 3.9Å; V182-C199 HydrophobicContact CG2-CB 4.16Å; V182-C199 PolarHBondContact N-O 3.01Å; V182-C199 PolarHBondContact O-N 3.28Å; V182-L201 HydrophobicContact CG1-CB 4.2Å; V182-L201 HydrophobicContact CG1-CD1 4.29Å; V182-L201 HydrophobicContact CG2-CB 4.34Å; V182-L201 HydrophobicContact CG2-CD1 4.43Å |
| 183 | G | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | 83.6 | 165.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G185 F186 L192 D197 | G183-G185 PolarHBondContact O-N 3.16Å; G183-G185 VanDerWaalsContact O-N 3.11Å; G183-F186 PolarHBondContact N-O 2.85Å; G183-F186 WeakPolarHBondContact O-CB 3.33Å; G183-F186 WeakPolarHBondContact O-CD2 3.31Å; G183-F186 PolarHBondContact O-N 3.19Å; G183-L192 WeakPolarHBondContact CA-O 3.28Å; G183-L192 PolarHBondContact N-O 2.96Å; G183-D197 CarbonylContact C-O 3.43Å; G183-D197 WeakPolarHBondContact CA-O 3.48Å |
| 184 | Y | 98.1 | Very high | 96.1 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 33.4 | -174.3 | -160.6 | -102.2 | 0 | 0 | 0 | 114.2 | Q37 V40 R71 F72 L75 L156 L195 N196 D197 V198 | Q37-Y184 HydrophobicContact CG-CE2 4.19Å; V40-Y184 HydrophobicContact CB-CE1 4.44Å; V40-Y184 HydrophobicContact CG1-CD1 4.24Å; V40-Y184 HydrophobicContact CG1-CE1 3.49Å; V40-Y184 VanDerWaalsContact CG1-CE1 3.49Å; V40-Y184 HydrophobicContact CG1-CE2 4.31Å; V40-Y184 VanDerWaalsContact CG1-CZ 3.5Å; V40-Y184 WeakPolarHBondContact CG1-OH 3.31Å; R71-Y184 HydrophobicContact CB-CD1 4.24Å; R71-Y184 HydrophobicContact CB-CE1 4.1Å; R71-Y184 HydrophobicContact CB-CG 4.49Å; R71-Y184 WeakPolarHBondContact CB-O 3.42Å; F72-Y184 HydrophobicContact CB-CE1 4.21Å; L75-Y184 VanDerWaalsContact CD2-OH 3.23Å; L75-Y184 WeakPolarHBondContact CD2-OH 3.31Å; L156-Y184 HydrophobicContact CD2-CD1 3.75Å; L156-Y184 HydrophobicContact CD2-CE1 3.87Å; Y184-L195 WeakPolarHBondContact CA-O 3.38Å; Y184-L195 PolarHBondContact N-O 3.07Å; Y184-N196 VanDerWaalsContact CD2-O 3.25Å; Y184-N196 WeakPolarHBondContact CD2-O 3.27Å; Y184-D197 PolarHBondContact N-O 3.32Å; Y184-V198 HydrophobicContact CG-CG2 4.48Å |
| 185 | G | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.9 | -10.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G183 R193 | G183-G185 PolarHBondContact O-N 3.16Å; G183-G185 VanDerWaalsContact O-N 3.11Å; G185-R193 PolarHBondContact N-O 2.64Å; G185-R193 PolarHBondContact O-NH1 3Å; G185-R193 PolarHBondContact O-NH2 3.08Å |
| 186 | F | 96.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 36.5 Ų | 36.5 | 3% | 0.026 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -77.6 | 142.7 | 165 | -57 | -70.3 | 0 | 0 | 0 | 109.8 | D128 I129 L156 L157 V181 G183 R193 V198 | D128-F186 HydrophobicContact CB-CD1 4.13Å; D128-F186 HydrophobicContact CB-CE1 3.35Å; D128-F186 HydrophobicContact CB-CZ 3.83Å; D128-F186 VanDerWaalsContact CG-CE1 3.48Å; D128-F186 WeakPolarHBondContact O-CZ 3.35Å; D128-F186 WeakPolarHBondContact OD2-CD1 3.29Å; D128-F186 WeakPolarHBondContact OD2-CE1 3.17Å; I129-F186 HydrophobicContact CB-CE1 3.69Å; I129-F186 HydrophobicContact CB-CZ 4.41Å; I129-F186 HydrophobicContact CG2-CD1 4.22Å; I129-F186 HydrophobicContact CG2-CE1 3.82Å; L156-F186 HydrophobicContact CD2-CE2 4.18Å; L156-F186 HydrophobicContact CD2-CZ 4.26Å; L157-F186 HydrophobicContact CD1-CD2 4.24Å; L157-F186 HydrophobicContact CD1-CE1 4.07Å; L157-F186 HydrophobicContact CD1-CE2 3.42Å; L157-F186 VanDerWaalsContact CD1-CE2 3.42Å; L157-F186 HydrophobicContact CD1-CZ 3.32Å; L157-F186 HydrophobicContact CG-CE2 4.11Å; L157-F186 HydrophobicContact CG-CZ 3.73Å; V181-F186 HydrophobicContact CG2-CB 4.44Å; V181-F186 HydrophobicContact CG2-CD1 4.26Å; V181-F186 HydrophobicContact CG2-CD2 4.23Å; V181-F186 HydrophobicContact CG2-CG 4.04Å; G183-F186 PolarHBondContact N-O 2.85Å; G183-F186 WeakPolarHBondContact O-CB 3.33Å; G183-F186 WeakPolarHBondContact O-CD2 3.31Å; G183-F186 PolarHBondContact O-N 3.19Å; F186-R193 VanDerWaalsContact O-CA 3.31Å; F186-R193 WeakPolarHBondContact O-CA 3.36Å; F186-V198 HydrophobicContact CD2-CG1 4.17Å; F186-V198 HydrophobicContact CD2-CG2 4.28Å; F186-V198 HydrophobicContact CE2-CG1 4.25Å; F186-V198 HydrophobicContact CE2-CG2 3.98Å |
| 187 | D | 95.4 | Very high | 96.1 | Very high | 40 Ų | 40 | 37.1 Ų | 37.1 | 21% | 0.214 | 18% | 0.181 | C | C | . | . | trans | -129.1 | 164.6 | -179 | 79.8 | -89.9 | 0 | 0 | 0 | 112.7 | N189 E190 H191 R193 | D187-N189 PolarHBondContact OD2-N 2.94Å; D187-E190 WeakPolarHBondContact OD2-CA 3.45Å; D187-E190 PolarHBondContact OD2-N 3.39Å; D187-H191 VanDerWaalsContact CA-O 3.27Å; D187-H191 WeakPolarHBondContact CA-O 3.37Å; D187-H191 WeakPolarHBondContact CB-O 3.44Å; D187-R193 HydrophobicContact CB-CB 4.15Å; D187-R193 HydrophobicContact CB-CG 4.46Å; D187-R193 IonicContact OD1-CZ 3.53Å; D187-R193 IonicContact OD1-NE 3.64Å; D187-R193 IonicContact OD1-NH2 2.69Å; D187-R193 PolarHBondContact OD1-NH2 3.19Å | ||
| 188 | Y | 94.6 | Very high | 96.2 | Very high | 16 Ų | 16 | 36.8 Ų | 36.8 | 6% | 0.063 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -127 | 110.4 | 159.7 | -179.4 | -102.3 | 0 | 0 | 0 | 108.1 | F180 E190 H191 L201 R206 F209 | F180-Y188 HydrophobicContact CD1-CD2 4.37Å; F180-Y188 AromaticContact CE1-CD2 3.65Å; F180-Y188 HydrophobicContact CE1-CD2 3.65Å; F180-Y188 HydrophobicContact CE1-CG 4.21Å; F180-Y188 HydrophobicContact CE2-CD2 4.32Å; F180-Y188 AromaticContact CZ-CD2 3.62Å; F180-Y188 HydrophobicContact CZ-CD2 3.62Å; F180-Y188 HydrophobicContact CZ-CE2 4.47Å; F180-Y188 HydrophobicContact CZ-CG 4.5Å; Y188-E190 VanDerWaalsContact C-N 3.33Å; Y188-E190 PolarHBondContact O-N 3.46Å; Y188-H191 PolarHBondContact N-O 3.29Å; Y188-H191 VanDerWaalsContact N-O 3.08Å; Y188-H191 WeakPolarHBondContact O-CB 3.4Å; Y188-H191 PolarHBondContact O-N 2.9Å; Y188-L201 HydrophobicContact CD1-CD2 3.9Å; Y188-L201 HydrophobicContact CD2-CD2 3.66Å; Y188-L201 HydrophobicContact CE1-CD2 4.27Å; Y188-L201 HydrophobicContact CE2-CD2 4.09Å; Y188-L201 HydrophobicContact CG-CD2 3.54Å; Y188-R206 WeakPolarHBondContact CE1-O 3.21Å; Y188-R206 PolarHBondContact OH-O 3.32Å; Y188-R206 VanDerWaalsContact OH-O 3.07Å; Y188-F209 HydrophobicContact CD1-CB 3.51Å; Y188-F209 VanDerWaalsContact CE1-C 3.46Å; Y188-F209 HydrophobicContact CE1-CB 3.8Å; Y188-F209 WeakPolarHBondContact CE1-O 3.45Å |
| 189 | N | 92.3 | Very high | 96.3 | Very high | 15 Ų | 15 | 31.7 Ų | 31.7 | 8% | 0.08 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 45.1 | -176 | -70.5 | -38.3 | 0 | 0 | 0 | 113.8 | N103 D187 H191 F209 K211 | N103-N189 WeakPolarHBondContact CA-OD1 3.24Å; N103-N189 PolarHBondContact N-OD1 3.23Å; N103-N189 PolarHBondContact OD1-ND2 3.08Å; N103-N189 PolarHBondContact OD1-OD1 3.3Å; D187-N189 PolarHBondContact OD2-N 2.94Å; N189-H191 PolarHBondContact O-CD2 3.15Å; N189-H191 VanDerWaalsContact O-CD2 3.29Å; N189-H191 PolarHBondContact O-N 3.37Å; N189-F209 WeakPolarHBondContact CB-O 3.34Å; N189-F209 PolarHBondContact ND2-O 3.05Å; N189-K211 HydrophobicContact CB-CD 4.49Å; N189-K211 HydrophobicContact CB-CG 4.19Å; N189-K211 PolarHBondContact ND2-N 3.39Å; N189-K211 VanDerWaalsContact ND2-N 3.19Å |
| 190 | E | 92 | Very high | 96.4 | Very high | 113 Ų | 113 | 29.3 Ų | 29.3 | 53% | 0.528 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 3.8 | -176.4 | -50 | -71.3 | 160 | 0 | 0 | 114.9 | D187 Y188 | D187-E190 WeakPolarHBondContact OD2-CA 3.45Å; D187-E190 PolarHBondContact OD2-N 3.39Å; Y188-E190 VanDerWaalsContact C-N 3.33Å; Y188-E190 PolarHBondContact O-N 3.46Å |
| 191 | H | 94.8 | Very high | 96.5 | Very high | 92 Ų | 92 | 27.6 Ų | 27.6 | 43% | 0.426 | 14% | 0.136 | S | C | . | . | B | Isolated β-bridge | trans | -94.1 | 160.5 | 174.6 | -64.2 | -80.1 | 0 | 0 | 0 | 112.6 | D187 Y188 N189 R193 F209 | D187-H191 VanDerWaalsContact CA-O 3.27Å; D187-H191 WeakPolarHBondContact CA-O 3.37Å; D187-H191 WeakPolarHBondContact CB-O 3.44Å; Y188-H191 PolarHBondContact N-O 3.29Å; Y188-H191 VanDerWaalsContact N-O 3.08Å; Y188-H191 WeakPolarHBondContact O-CB 3.4Å; Y188-H191 PolarHBondContact O-N 2.9Å; N189-H191 PolarHBondContact O-CD2 3.15Å; N189-H191 VanDerWaalsContact O-CD2 3.29Å; N189-H191 PolarHBondContact O-N 3.37Å; H191-R193 PolarHBondContact O-N 3.23Å; H191-R193 VanDerWaalsContact O-N 3.11Å; H191-F209 HydrophobicContact CB-CB 4.42Å; H191-F209 HydrophobicContact CB-CD1 3.79Å; H191-F209 HydrophobicContact CB-CE1 4.2Å; H191-F209 HydrophobicContact CB-CG 4.05Å; H191-F209 AromaticContact CD2-CD1 3.68Å; H191-F209 AromaticContact CG-CD1 3.48Å; H191-F209 VanDerWaalsContact CG-CD1 3.48Å; H191-F209 AromaticContact ND1-CD1 3.79Å; H191-F209 AromaticContact ND1-CE1 3.99Å |
| 192 | L | 96.5 | Very high | 96.5 | Very high | 6 Ų | 6 | 27.9 Ų | 27.9 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 68.3 | 3.3 | 170.7 | -51 | 173 | 0 | 0 | 0 | 115.5 | F26 I30 V182 G183 D194 L195 L201 F209 | F26-L192 HydrophobicContact CD1-CD2 3.67Å; F26-L192 HydrophobicContact CE1-CD2 3.73Å; I30-L192 HydrophobicContact CD1-CD1 4.17Å; V182-L192 HydrophobicContact CB-CB 3.95Å; V182-L192 HydrophobicContact CB-CD1 4.15Å; V182-L192 HydrophobicContact CG1-CB 4.47Å; V182-L192 HydrophobicContact CG1-CD1 4.16Å; V182-L192 HydrophobicContact CG2-CB 4.25Å; V182-L192 HydrophobicContact CG2-CD1 3.9Å; G183-L192 WeakPolarHBondContact CA-O 3.28Å; G183-L192 PolarHBondContact N-O 2.96Å; L192-D194 PolarHBondContact O-N 3.01Å; L192-D194 VanDerWaalsContact O-N 3.16Å; L192-L195 HydrophobicContact CB-CD1 4.14Å; L192-L195 HydrophobicContact CD2-CD1 4.32Å; L192-L195 PolarHBondContact O-N 3.11Å; L192-L201 HydrophobicContact CD1-CD1 3.56Å; L192-F209 HydrophobicContact CD1-CD2 3.95Å; L192-F209 HydrophobicContact CD1-CE2 3.83Å; L192-F209 HydrophobicContact CD2-CE2 3.86Å; L192-F209 HydrophobicContact CD2-CZ 3.99Å; L192-F209 HydrophobicContact CG-CD2 4.36Å; L192-F209 HydrophobicContact CG-CE2 4.04Å; L192-F209 HydrophobicContact CG-CZ 4.46Å |
| 193 | R | 95.8 | Very high | 96.5 | Very high | 38 Ų | 38 | 33.2 Ų | 33.2 | 14% | 0.143 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -24.2 | 178.5 | -162.9 | 173.2 | -99.8 | -75 | -10.4 | 113.4 | N67 G68 F70 G185 F186 D187 H191 | N67-R193 PolarHBondContact O-NH1 3.13Å; G68-R193 VanDerWaalsContact N-NH1 3.12Å; F70-R193 HydrophobicContact CE1-CG 4.14Å; G185-R193 PolarHBondContact N-O 2.64Å; G185-R193 PolarHBondContact O-NH1 3Å; G185-R193 PolarHBondContact O-NH2 3.08Å; F186-R193 VanDerWaalsContact O-CA 3.31Å; F186-R193 WeakPolarHBondContact O-CA 3.36Å; D187-R193 HydrophobicContact CB-CB 4.15Å; D187-R193 HydrophobicContact CB-CG 4.46Å; D187-R193 IonicContact OD1-CZ 3.53Å; D187-R193 IonicContact OD1-NE 3.64Å; D187-R193 IonicContact OD1-NH2 2.69Å; D187-R193 PolarHBondContact OD1-NH2 3.19Å; H191-R193 PolarHBondContact O-N 3.23Å; H191-R193 VanDerWaalsContact O-N 3.11Å |
| 194 | D | 95.1 | Very high | 96.5 | Very high | 124 Ų | 124 | 38.1 Ų | 38.1 | 66% | 0.663 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -4.7 | -175.3 | 61.3 | -37.7 | 0 | 0 | 0 | 114.7 | L192 | L192-D194 PolarHBondContact O-N 3.01Å; L192-D194 VanDerWaalsContact O-N 3.16Å |
| 195 | L | 97.2 | Very high | 96.4 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 9% | 0.089 | 19% | 0.185 | C | C | . | . | trans | -63 | 144.4 | 169.5 | -59.9 | 174.9 | 0 | 0 | 0 | 110.1 | I22 I30 Y184 L192 | I22-L195 HydrophobicContact CG2-CD2 4.39Å; I30-L195 HydrophobicContact CD1-CD1 3.68Å; I30-L195 HydrophobicContact CG1-CD1 4.21Å; Y184-L195 WeakPolarHBondContact CA-O 3.38Å; Y184-L195 PolarHBondContact N-O 3.07Å; L192-L195 HydrophobicContact CB-CD1 4.14Å; L192-L195 HydrophobicContact CD2-CD1 4.32Å; L192-L195 PolarHBondContact O-N 3.11Å | ||
| 196 | N | 97.3 | Very high | 96.4 | Very high | 70 Ų | 70 | 40.5 Ų | 40.5 | 37% | 0.374 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -79.6 | -24.5 | -175.7 | -72.9 | -49.1 | 0 | 0 | 0 | 113.6 | Q37 Y184 | Q37-N196 WeakPolarHBondContact CB-O 3.46Å; Y184-N196 VanDerWaalsContact CD2-O 3.25Å; Y184-N196 WeakPolarHBondContact CD2-O 3.27Å |
| 197 | D | 98.3 | Very high | 96.4 | Very high | 13 Ų | 13 | 49.5 Ų | 49.5 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -108.3 | 159.4 | -176.9 | -53 | -75.5 | 0 | 0 | 0 | 110.5 | V33 S36 Q37 G183 Y184 C199 | V33-D197 HydrophobicContact CG1-CB 3.67Å; V33-D197 HydrophobicContact CG2-CB 4.48Å; S36-D197 VanDerWaalsContact CA-OD1 3.28Å; S36-D197 WeakPolarHBondContact CA-OD1 3.47Å; Q37-D197 PolarHBondContact N-OD1 3.35Å; G183-D197 CarbonylContact C-O 3.43Å; G183-D197 WeakPolarHBondContact CA-O 3.48Å; Y184-D197 PolarHBondContact N-O 3.32Å; D197-C199 PolarHBondContact O-N 3.16Å |
| 198 | V | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 114.6 | 169.7 | -177.2 | 0 | 0 | 0 | 0 | 107.3 | L34 I35 V40 L157 V181 Y184 F186 | L34-V198 WeakPolarHBondContact CA-O 3.41Å; L34-V198 WeakPolarHBondContact CB-O 3.38Å; L34-V198 PolarHBondContact N-O 3.36Å; I35-V198 HydrophobicContact CB-CB 4.02Å; I35-V198 HydrophobicContact CB-CG2 4.3Å; I35-V198 PolarHBondContact N-O 3.35Å; I35-V198 PolarHBondContact O-N 3.12Å; V40-V198 HydrophobicContact CG2-CG2 4.25Å; L157-V198 HydrophobicContact CD1-CG1 3.99Å; V181-V198 HydrophobicContact CB-CG1 3.9Å; V181-V198 HydrophobicContact CG1-CG1 4.03Å; V181-V198 HydrophobicContact CG2-CG1 4.47Å; Y184-V198 HydrophobicContact CG-CG2 4.48Å; F186-V198 HydrophobicContact CD2-CG1 4.17Å; F186-V198 HydrophobicContact CD2-CG2 4.28Å; F186-V198 HydrophobicContact CE2-CG1 4.25Å; F186-V198 HydrophobicContact CE2-CG2 3.98Å |
| 199 | C | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 157.8 | -173 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | I30 C32 V181 V182 D197 | I30-C199 HydrophobicContact CD1-CB 4.23Å; I30-C199 HydrophobicContact CG2-CB 3.63Å; C32-C199 CarbonylContact O-C 3.55Å; C32-C199 VanDerWaalsContact O-CA 3.31Å; C32-C199 WeakPolarHBondContact O-CA 3.49Å; V181-C199 CarbonylContact C-O 3.57Å; V181-C199 WeakPolarHBondContact CA-O 3.29Å; V182-C199 HydrophobicContact CG2-CB 4.16Å; V182-C199 PolarHBondContact N-O 3.01Å; V182-C199 PolarHBondContact O-N 3.28Å; D197-C199 PolarHBondContact O-N 3.16Å |
| 200 | V | 98.3 | Very high | 96.4 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 130.4 | 170.2 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | D31 C32 L34 R179 | D31-V200 HydrophobicContact CB-CB 4.2Å; D31-V200 HydrophobicContact CB-CG1 4.08Å; D31-V200 PolarHBondContact N-O 3.43Å; C32-V200 PolarHBondContact O-N 3.33Å; C32-V200 VanDerWaalsContact SG-CG2 3.52Å; L34-V200 HydrophobicContact CB-CG2 4.15Å; L34-V200 HydrophobicContact CD1-CG2 4.45Å; L34-V200 HydrophobicContact CD2-CG2 4.36Å; R179-V200 HydrophobicContact CB-CG1 4.22Å; R179-V200 HydrophobicContact CB-CG2 4.15Å |
| 201 | L | 98.1 | Very high | 96.1 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 127.5 | 177.3 | -173.9 | 67.2 | 0 | 0 | 0 | 110.5 | F180 V182 Y188 L192 R206 | F180-L201 HydrophobicContact CD1-CB 4.08Å; F180-L201 HydrophobicContact CD1-CD2 3.87Å; F180-L201 HydrophobicContact CE1-CD2 4.25Å; F180-L201 PolarHBondContact O-N 3.29Å; V182-L201 HydrophobicContact CG1-CB 4.2Å; V182-L201 HydrophobicContact CG1-CD1 4.29Å; V182-L201 HydrophobicContact CG2-CB 4.34Å; V182-L201 HydrophobicContact CG2-CD1 4.43Å; Y188-L201 HydrophobicContact CD1-CD2 3.9Å; Y188-L201 HydrophobicContact CD2-CD2 3.66Å; Y188-L201 HydrophobicContact CE1-CD2 4.27Å; Y188-L201 HydrophobicContact CE2-CD2 4.09Å; Y188-L201 HydrophobicContact CG-CD2 3.54Å; L192-L201 HydrophobicContact CD1-CD1 3.56Å; L201-R206 HydrophobicContact CD2-CB 4.39Å; L201-R206 HydrophobicContact CD2-CG 3.51Å; L201-R206 HydrophobicContact CG-CG 3.95Å |
| 202 | S | 98 | Very high | 95 | Very high | 15 Ų | 15 | 56.2 Ų | 56.2 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 163.9 | 174.8 | 83.1 | 0 | 0 | 0 | 0 | 111.6 | P28 Y29 E204 G205 R206 | P28-S202 PolarHBondContact O-OG 2.68Å; Y29-S202 VanDerWaalsContact CA-OG 3.24Å; Y29-S202 WeakPolarHBondContact CA-OG 3.5Å; Y29-S202 PolarHBondContact O-N 3.39Å; Y29-S202 PolarHBondContact O-OG 3.12Å; S202-E204 VanDerWaalsContact C-N 3.26Å; S202-E204 PolarHBondContact O-N 2.87Å; S202-E204 PolarHBondContact OG-N 3.46Å; S202-G205 WeakPolarHBondContact O-CA 3.24Å; S202-G205 PolarHBondContact O-N 2.92Å; S202-G205 VanDerWaalsContact O-N 3.13Å; S202-G205 PolarHBondContact OG-N 3.29Å; S202-R206 PolarHBondContact O-N 3.21Å |
| 203 | E | 97.3 | Very high | 92.8 | Very high | 111 Ų | 111 | 63.7 Ų | 63.7 | 52% | 0.519 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.5 | -34.4 | 173.3 | -72 | -57 | 119.9 | 0 | 0 | 113 | R206 R207 | E203-R206 PolarHBondContact O-N 3.21Å; E203-R206 WeakPolarHBondContact OE1-CD 3.37Å; E203-R206 IonicContact OE1-NE 3.77Å; E203-R206 PolarHBondContact OE1-NE 3.16Å; E203-R207 WeakPolarHBondContact O-CG 3.28Å; E203-R207 PolarHBondContact O-N 3.34Å; E203-R207 VanDerWaalsContact O-N 3.15Å |
| 204 | E | 97.1 | Very high | 90.1 | Very high | 104 Ų | 104 | 66.9 Ų | 66.9 | 49% | 0.486 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68 | -39.8 | 174 | -171.5 | 174.4 | 164.9 | 0 | 0 | 111.1 | Y29 S202 R207 K208 | Y29-E204 HydrophobicContact CD1-CG 4.08Å; Y29-E204 HydrophobicContact CE1-CG 4.12Å; S202-E204 VanDerWaalsContact C-N 3.26Å; S202-E204 PolarHBondContact O-N 2.87Å; S202-E204 PolarHBondContact OG-N 3.46Å; E204-R207 PolarHBondContact O-N 2.85Å; E204-K208 VanDerWaalsContact O-CB 3.31Å; E204-K208 WeakPolarHBondContact O-CB 3.27Å; E204-K208 PolarHBondContact O-N 3.04Å |
| 205 | G | 97 | Very high | 87.2 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S202 R207 K208 F209 | S202-G205 WeakPolarHBondContact O-CA 3.24Å; S202-G205 PolarHBondContact O-N 2.92Å; S202-G205 VanDerWaalsContact O-N 3.13Å; S202-G205 PolarHBondContact OG-N 3.29Å; G205-R207 VanDerWaalsContact C-N 3.3Å; G205-R207 PolarHBondContact O-N 3.2Å; G205-K208 PolarHBondContact O-N 2.97Å; G205-F209 WeakPolarHBondContact O-CD2 3.31Å; G205-F209 PolarHBondContact O-N 3.41Å |
| 206 | R | 95.7 | Very high | 86.7 | Confident | 59 Ų | 59 | 79.2 Ų | 79.2 | 22% | 0.223 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -54.5 | -46.4 | 175 | -72.8 | -176.1 | -160.5 | -74.7 | -4.3 | 111.9 | Y188 L201 S202 E203 A210 | Y188-R206 WeakPolarHBondContact CE1-O 3.21Å; Y188-R206 PolarHBondContact OH-O 3.32Å; Y188-R206 VanDerWaalsContact OH-O 3.07Å; L201-R206 HydrophobicContact CD2-CB 4.39Å; L201-R206 HydrophobicContact CD2-CG 3.51Å; L201-R206 HydrophobicContact CG-CG 3.95Å; S202-R206 PolarHBondContact O-N 3.21Å; E203-R206 PolarHBondContact O-N 3.21Å; E203-R206 WeakPolarHBondContact OE1-CD 3.37Å; E203-R206 IonicContact OE1-NE 3.77Å; E203-R206 PolarHBondContact OE1-NE 3.16Å; R206-A210 VanDerWaalsContact O-CB 3.27Å; R206-A210 WeakPolarHBondContact O-CB 3.47Å; R206-A210 PolarHBondContact O-N 2.91Å; R206-A210 VanDerWaalsContact O-N 3.08Å |
| 207 | R | 95.7 | Very high | 86.1 | Confident | 194 Ų | 194 | 79.6 Ų | 79.6 | 73% | 0.732 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -67.3 | -43.2 | 178.9 | -68.5 | 172.5 | -169.9 | 168.5 | 4.3 | 111.8 | E203 E204 G205 F209 | E203-R207 WeakPolarHBondContact O-CG 3.28Å; E203-R207 PolarHBondContact O-N 3.34Å; E203-R207 VanDerWaalsContact O-N 3.15Å; E204-R207 PolarHBondContact O-N 2.85Å; G205-R207 VanDerWaalsContact C-N 3.3Å; G205-R207 PolarHBondContact O-N 3.2Å; R207-F209 VanDerWaalsContact C-N 3.35Å; R207-F209 PolarHBondContact O-N 3.03Å |
| 208 | K | 95.7 | Very high | 85.5 | Confident | 127 Ų | 127 | 83.3 Ų | 83.3 | 55% | 0.552 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.6 | -41.5 | -176.6 | 177.4 | 61.4 | 177.9 | -178.5 | 0 | 112.6 | Y29 E204 G205 | Y29-K208 HydrophobicContact CD1-CB 4.01Å; Y29-K208 HydrophobicContact CD1-CG 4.2Å; Y29-K208 HydrophobicContact CE1-CB 3.82Å; Y29-K208 HydrophobicContact CE1-CD 4.29Å; Y29-K208 HydrophobicContact CE1-CG 3.73Å; Y29-K208 HydrophobicContact CE2-CG 4.38Å; E204-K208 VanDerWaalsContact O-CB 3.31Å; E204-K208 WeakPolarHBondContact O-CB 3.27Å; E204-K208 PolarHBondContact O-N 3.04Å; G205-K208 PolarHBondContact O-N 2.97Å |
| 209 | F | 94.6 | Very high | 84.7 | Confident | 22 Ų | 22 | 88.2 Ų | 88.2 | 10% | 0.096 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 7.1 | -171.4 | -60 | -61.2 | 0 | 0 | 0 | 113 | F26 Y29 Y188 N189 H191 L192 G205 R207 | F26-F209 HydrophobicContact CE1-CZ 4.42Å; Y29-F209 HydrophobicContact CD1-CE2 4.5Å; Y29-F209 AromaticContact CD2-CE2 3.85Å; Y29-F209 HydrophobicContact CD2-CE2 3.85Å; Y29-F209 AromaticContact CD2-CZ 3.83Å; Y29-F209 HydrophobicContact CD2-CZ 3.83Å; Y29-F209 HydrophobicContact CE2-CZ 4.23Å; Y29-F209 AromaticContact CG-CE2 3.81Å; Y29-F209 HydrophobicContact CG-CE2 3.81Å; Y29-F209 HydrophobicContact CG-CZ 4.26Å; Y188-F209 HydrophobicContact CD1-CB 3.51Å; Y188-F209 VanDerWaalsContact CE1-C 3.46Å; Y188-F209 HydrophobicContact CE1-CB 3.8Å; Y188-F209 WeakPolarHBondContact CE1-O 3.45Å; N189-F209 WeakPolarHBondContact CB-O 3.34Å; N189-F209 PolarHBondContact ND2-O 3.05Å; H191-F209 HydrophobicContact CB-CB 4.42Å; H191-F209 HydrophobicContact CB-CD1 3.79Å; H191-F209 HydrophobicContact CB-CE1 4.2Å; H191-F209 HydrophobicContact CB-CG 4.05Å; H191-F209 AromaticContact CD2-CD1 3.68Å; H191-F209 AromaticContact CG-CD1 3.48Å; H191-F209 VanDerWaalsContact CG-CD1 3.48Å; H191-F209 AromaticContact ND1-CD1 3.79Å; H191-F209 AromaticContact ND1-CE1 3.99Å; L192-F209 HydrophobicContact CD1-CD2 3.95Å; L192-F209 HydrophobicContact CD1-CE2 3.83Å; L192-F209 HydrophobicContact CD2-CE2 3.86Å; L192-F209 HydrophobicContact CD2-CZ 3.99Å; L192-F209 HydrophobicContact CG-CD2 4.36Å; L192-F209 HydrophobicContact CG-CE2 4.04Å; L192-F209 HydrophobicContact CG-CZ 4.46Å; G205-F209 WeakPolarHBondContact O-CD2 3.31Å; G205-F209 PolarHBondContact O-N 3.41Å; R207-F209 VanDerWaalsContact C-N 3.35Å; R207-F209 PolarHBondContact O-N 3.03Å |
| 210 | A | 92.6 | Very high | 83.8 | Confident | 33 Ų | 33 | 93.8 Ų | 93.8 | 27% | 0.273 | 44% | 0.437 | S | S | . | . | trans | -62.4 | 138 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | R206 N212 | R206-A210 VanDerWaalsContact O-CB 3.27Å; R206-A210 WeakPolarHBondContact O-CB 3.47Å; R206-A210 PolarHBondContact O-N 2.91Å; R206-A210 VanDerWaalsContact O-N 3.08Å; A210-N212 PolarHBondContact O-N 3.41Å; A210-N212 VanDerWaalsContact O-N 3.12Å | ||
| 211 | K | 85.8 | Confident | 82.8 | Confident | 114 Ų | 114 | 99.5 Ų | 99.5 | 50% | 0.496 | 46% | 0.463 | S | S | . | . | trans | -75.2 | 101.1 | 162.3 | -73.1 | 179.6 | -179.9 | 175.2 | 0 | 106.5 | N103 N189 | N103-K211 PolarHBondContact OD1-N 3Å; N189-K211 HydrophobicContact CB-CD 4.49Å; N189-K211 HydrophobicContact CB-CG 4.19Å; N189-K211 PolarHBondContact ND2-N 3.39Å; N189-K211 VanDerWaalsContact ND2-N 3.19Å | ||
| 212 | N | 72.3 | Confident | 81.8 | Confident | 122 Ų | 122 | 106.3 Ų | 106.3 | 65% | 0.652 | 49% | 0.494 | S | S | * | . | trans | -61.8 | 137 | 160.3 | -66.7 | -29.5 | 0 | 0 | 0 | 106.6 | A210 C214 | A210-N212 PolarHBondContact O-N 3.41Å; A210-N212 VanDerWaalsContact O-N 3.12Å; N212-C214 PolarHBondContact O-N 3.42Å | ||
| 213 | D | 50.4 | Low | 80.5 | Confident | 163 Ų | 163 | 113.3 Ų | 113.3 | 87% | 0.872 | 52% | 0.524 | S | S | * | . | trans | -55 | 90.9 | 170.5 | -72.4 | -39.1 | 0 | 0 | 0 | 108.3 | W215 | D213-W215 PolarHBondContact O-N 2.77Š| ||
| 214 | C | 38.8 | Very low | 79.1 | Confident | 104 Ų | 104 | 113.5 Ų | 113.5 | 70% | 0.703 | 53% | 0.525 | S | S | * | . | trans | -95.8 | 88.2 | 175.1 | -74.8 | 0 | 0 | 0 | 0 | 106.2 | N212 | N212-C214 PolarHBondContact O-N 3.42Š| ||
| 215 | W | 33.8 | Very low | 77.5 | Confident | 320 Ų | 320 | 114.4 Ų | 114.4 | 100% | 1.212 | 53% | 0.528 | S | S | * | . | trans | 46.2 | 0 | 150.3 | -47.1 | 89.5 | 0 | 0 | 0 | 118.7 | D213 | D213-W215 PolarHBondContact O-N 2.77Š|
Retrieved 215 of 215 residues in 83.6 ms
(Link to these results)