| 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 | 42.2 | Very low | 33.8 | Very low | 239 Ų | 239 | 140.1 Ų | 140.1 | 100% | 1.177 | 77% | 0.77 | S | S | * | * | 0 | 93.2 | 0 | -87.3 | 178.6 | 174.7 | 0 | 0 | 106.3 | K3 | M1-K3 PolarHBondContact O-N 3.48Š| |||
| 2 | D | 29.2 | Very low | 33.5 | Very low | 162 Ų | 162 | 140.8 Ų | 140.8 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | -66.6 | 127.8 | -172.1 | -65.1 | -45.9 | 0 | 0 | 0 | 110.6 | L4 | D2-L4 PolarHBondContact O-N 3.37Š| ||
| 3 | K | 37.2 | Very low | 34 | Very low | 204 Ų | 204 | 137.3 Ų | 137.3 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | trans | -65.8 | 110.2 | 167.8 | -74.7 | -179.4 | 174.6 | -179.1 | 0 | 107.4 | M1 | M1-K3 PolarHBondContact O-N 3.48Š| ||
| 4 | L | 34.9 | Very low | 34.2 | Very low | 164 Ų | 164 | 133.1 Ų | 133.1 | 86% | 0.859 | 74% | 0.735 | S | S | * | * | trans | -55.7 | 129.8 | 166.2 | -85.7 | 149.1 | 0 | 0 | 0 | 109 | D2 C6 | D2-L4 PolarHBondContact O-N 3.37Å; L4-C6 PolarHBondContact O-N 3.31Å | ||
| 5 | P | 35.5 | Very low | 34.5 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | -73.8 | 110.6 | 177.1 | 28.9 | -31.2 | 0 | 0 | 0 | 108.9 | G7 | P5-G7 PolarHBondContact O-N 2.96Š| ||
| 6 | C | 34.2 | Very low | 35.7 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 87% | 0.872 | 72% | 0.715 | S | S | * | * | trans | -66.5 | 82.3 | 159.3 | -85.8 | 0 | 0 | 0 | 0 | 108.2 | L4 | L4-C6 PolarHBondContact O-N 3.31Š| ||
| 7 | G | 32 | Very low | 38 | Very low | 33 Ų | 33 | 128.5 Ų | 128.5 | 34% | 0.34 | 70% | 0.698 | S | S | . | * | trans | -75 | 174.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P5 L9 | P5-G7 PolarHBondContact O-N 2.96Å; G7-L9 PolarHBondContact O-N 3.36Å | ||
| 8 | P | 31.1 | Very low | 40.2 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 15.6 | -167.9 | 29.2 | -37.7 | 0 | 0 | 0 | 116.1 | Q12 | P8-Q12 PolarHBondContact O-N 3.02Š|
| 9 | L | 32.6 | Very low | 42.3 | Very low | 130 Ų | 130 | 125.7 Ų | 125.7 | 68% | 0.681 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.9 | -25.5 | 177.4 | -79.8 | 158.7 | 0 | 0 | 0 | 112.8 | G7 | G7-L9 PolarHBondContact O-N 3.36Å |
| 10 | V | 34.3 | Very low | 44.7 | Very low | 111 Ų | 111 | 124.3 Ų | 124.3 | 67% | 0.673 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.5 | -34.2 | 176.1 | -176.8 | 0 | 0 | 0 | 0 | 111 | ||
| 11 | E | 28.2 | Very low | 47 | Very low | 153 Ų | 153 | 121.1 Ų | 121.1 | 72% | 0.715 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.4 | -30.5 | 176.4 | -78.4 | -179.9 | 153.4 | 0 | 0 | 113 | M13 A14 | E11-M13 VanDerWaalsContact C-N 3.27Å; E11-M13 PolarHBondContact O-N 2.74Å; E11-A14 WeakPolarHBondContact O-CB 3.1Å; E11-A14 PolarHBondContact O-N 3.43Å |
| 12 | Q | 30.4 | Very low | 49.7 | Very low | 148 Ų | 148 | 110.1 Ų | 110.1 | 69% | 0.692 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.9 | -20.2 | 175.8 | -77.6 | -172 | -10.8 | 0 | 0 | 113.9 | P8 | P8-Q12 PolarHBondContact O-N 3.02Å |
| 13 | M | 40.2 | Very low | 52.9 | Low | 96 Ų | 96 | 104.3 Ų | 104.3 | 47% | 0.473 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -84.5 | -18.1 | 173.5 | -69.3 | -175 | 66.3 | 0 | 0 | 113.4 | E11 N15 Y460 | E11-M13 VanDerWaalsContact C-N 3.27Å; E11-M13 PolarHBondContact O-N 2.74Å; M13-N15 PolarHBondContact O-N 3.34Å; M13-Y460 VanDerWaalsContact CE-OH 3.29Å; M13-Y460 WeakPolarHBondContact CE-OH 3.37Å |
| 14 | A | 36.8 | Very low | 55.8 | Low | 79 Ų | 79 | 96.4 Ų | 96.4 | 65% | 0.653 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -73.4 | -16.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | E11 | E11-A14 WeakPolarHBondContact O-CB 3.1Å; E11-A14 PolarHBondContact O-N 3.43Å |
| 15 | N | 39.1 | Very low | 58.8 | Low | 155 Ų | 155 | 90.3 Ų | 90.3 | 83% | 0.829 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.1 | 20 | -174.9 | -129 | 1.1 | 0 | 0 | 0 | 114 | M13 D17 | M13-N15 PolarHBondContact O-N 3.34Å; N15-D17 PolarHBondContact O-N 3.34Å |
| 16 | R | 53.7 | Low | 61.7 | Low | 85 Ų | 85 | 88.1 Ų | 88.1 | 32% | 0.321 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -80.9 | 113.8 | 166.9 | -71.9 | -173.3 | -178 | -160.9 | -4 | 108.3 | F18 H455 | R16-F18 PolarHBondContact O-N 3.41Å; R16-H455 PolarHBondContact NH1-O 3.3Å; R16-H455 PolarHBondContact NH2-O 3.01Å |
| 17 | D | 75.1 | Confident | 64.7 | Low | 80 Ų | 80 | 84.9 Ų | 84.9 | 43% | 0.428 | 45% | 0.447 | S | S | . | . | trans | -37.1 | 124.5 | 165.3 | -163.5 | -14.8 | 0 | 0 | 0 | 110.1 | N15 E19 K20 | N15-D17 PolarHBondContact O-N 3.34Å; D17-E19 PolarHBondContact O-N 3.4Å; D17-K20 HydrophobicContact CB-CD 4.39Å; D17-K20 PolarHBondContact O-N 2.92Å | ||
| 18 | F | 77.2 | Confident | 67.8 | Low | 104 Ų | 104 | 83.5 Ų | 83.5 | 46% | 0.456 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -56.5 | -26.7 | -175 | -73.2 | -77.4 | 0 | 0 | 0 | 111.7 | R16 K20 K21 L364 | R16-F18 PolarHBondContact O-N 3.41Å; F18-K20 PolarHBondContact O-N 3.25Å; F18-K21 HydrophobicContact CD1-CD 4.41Å; F18-K21 PolarHBondContact O-N 3.28Å; F18-L364 HydrophobicContact CB-CD1 4.28Å |
| 19 | E | 80.3 | Confident | 71 | Confident | 100 Ų | 100 | 80.9 Ų | 80.9 | 47% | 0.467 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -60.2 | -23.7 | 174.8 | -61.4 | -171.6 | 170.4 | 0 | 0 | 113.8 | D17 N452 | D17-E19 PolarHBondContact O-N 3.4Å; E19-N452 PolarHBondContact O-ND2 2.93Å; E19-N452 PolarHBondContact O-OD1 2.72Å |
| 20 | K | 89.4 | Confident | 74 | Confident | 97 Ų | 97 | 74.9 Ų | 74.9 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -103.8 | 4.1 | -175.7 | -65.1 | 176.2 | -173 | 161.9 | 0 | 113.7 | D17 F18 N452 | D17-K20 HydrophobicContact CB-CD 4.39Å; D17-K20 PolarHBondContact O-N 2.92Å; F18-K20 PolarHBondContact O-N 3.25Å; K20-N452 WeakPolarHBondContact CA-OD1 3.27Å |
| 21 | K | 94.2 | Very high | 76.9 | Confident | 59 Ų | 59 | 75.3 Ų | 75.3 | 26% | 0.257 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -87.7 | 138.7 | -174.4 | -113 | 173.9 | -179.6 | 167.2 | 0 | 112 | F18 F23 S447 | F18-K21 HydrophobicContact CD1-CD 4.41Å; F18-K21 PolarHBondContact O-N 3.28Å; K21-F23 HydrophobicContact CB-CE1 4.46Å; K21-F23 HydrophobicContact CB-CE2 4.28Å; K21-F23 HydrophobicContact CB-CZ 4.12Å; K21-F23 HydrophobicContact CD-CE1 4.48Å; K21-S447 PolarHBondContact O-OG 3.33Å |
| 22 | V | 97.8 | Very high | 80.2 | Confident | 7 Ų | 7 | 72.6 Ų | 72.6 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | P | Polyproline II helix | trans | -94.4 | 121.8 | 159.8 | 176.7 | 0 | 0 | 0 | 0 | 107.6 | F354 L445 N452 L453 Y456 F462 | V22-F354 HydrophobicContact CB-CE2 4.44Å; V22-F354 HydrophobicContact CG1-CD2 4.42Å; V22-F354 HydrophobicContact CG1-CE2 3.67Å; V22-F354 HydrophobicContact CG1-CZ 4.35Å; V22-F354 HydrophobicContact CG2-CE2 3.89Å; V22-F354 HydrophobicContact CG2-CZ 4.16Å; V22-L445 HydrophobicContact CG1-CB 4Å; V22-L445 HydrophobicContact CG1-CD1 4.24Å; V22-L445 HydrophobicContact CG1-CD2 4.23Å; V22-L445 HydrophobicContact CG1-CG 4.39Å; V22-N452 HydrophobicContact CG2-CB 3.86Å; V22-L453 HydrophobicContact CG2-CD2 4.3Å; V22-Y456 HydrophobicContact CB-CE2 3.94Å; V22-Y456 HydrophobicContact CG2-CD2 4.17Å; V22-Y456 HydrophobicContact CG2-CE2 3.71Å; V22-Y456 PolarHBondContact N-OH 3.48Å; V22-Y456 VanDerWaalsContact N-OH 3.11Å; V22-F462 HydrophobicContact CB-CE1 3.72Å; V22-F462 HydrophobicContact CB-CZ 3.96Å; V22-F462 HydrophobicContact CG1-CD1 4.38Å; V22-F462 HydrophobicContact CG1-CE1 3.75Å; V22-F462 HydrophobicContact CG1-CZ 3.86Å; V22-F462 HydrophobicContact CG2-CZ 4.41Å |
| 23 | F | 97.7 | Very high | 83.4 | Confident | 40 Ų | 40 | 65.9 Ų | 65.9 | 18% | 0.175 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 150.5 | 178.5 | -60.2 | -85 | 0 | 0 | 0 | 110.5 | K21 L360 L364 L445 Y446 | K21-F23 HydrophobicContact CB-CE1 4.46Å; K21-F23 HydrophobicContact CB-CE2 4.28Å; K21-F23 HydrophobicContact CB-CZ 4.12Å; K21-F23 HydrophobicContact CD-CE1 4.48Å; F23-L360 HydrophobicContact CD2-CD2 3.89Å; F23-L360 HydrophobicContact CE2-CD2 3.71Å; F23-L364 HydrophobicContact CE2-CD1 3.97Å; F23-L364 HydrophobicContact CZ-CD1 3.81Å; F23-L364 HydrophobicContact CZ-CD2 4.23Å; F23-L445 WeakPolarHBondContact O-CA 3.27Å; F23-Y446 HydrophobicContact CB-CD1 3.71Å; F23-Y446 HydrophobicContact CB-CD2 4.1Å; F23-Y446 HydrophobicContact CB-CE1 3.25Å; F23-Y446 HydrophobicContact CB-CE2 3.67Å; F23-Y446 HydrophobicContact CB-CG 4.11Å; F23-Y446 HydrophobicContact CD2-CD2 4.19Å; F23-Y446 AromaticContact CD2-CE2 3.77Å; F23-Y446 HydrophobicContact CD2-CE2 3.77Å; F23-Y446 HydrophobicContact CG-CD2 4.48Å; F23-Y446 HydrophobicContact CG-CE1 4.24Å; F23-Y446 AromaticContact CG-CE2 3.84Å; F23-Y446 HydrophobicContact CG-CE2 3.84Å; F23-Y446 AromaticContact CG-CZ 3.69Å; F23-Y446 PolarHBondContact N-O 3.34Å; F23-Y446 PolarHBondContact O-N 3.04Å |
| 24 | V | 98.1 | Very high | 86.2 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 23% | 0.23 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 119 | -165.8 | -169.3 | 0 | 0 | 0 | 0 | 110.1 | R26 L445 F462 A464 | V24-R26 WeakPolarHBondContact CG1-O 3.25Å; V24-L445 HydrophobicContact CB-CD2 4.22Å; V24-L445 HydrophobicContact CG1-CD2 3.93Å; V24-L445 HydrophobicContact CG2-CD2 3.94Å; V24-F462 HydrophobicContact CB-CB 4.48Å; V24-F462 HydrophobicContact CG1-CB 3.87Å; V24-F462 HydrophobicContact CG2-CB 3.72Å; V24-F462 HydrophobicContact CG2-CD1 3.51Å; V24-F462 HydrophobicContact CG2-CG 3.98Å; V24-A464 HydrophobicContact CG1-CB 4.11Å |
| 25 | N | 97.6 | Very high | 89.1 | Confident | 37 Ų | 37 | 62.6 Ų | 62.6 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -97.4 | -31 | 170.3 | -64 | -49.3 | 0 | 0 | 0 | 111.9 | L439 A443 D444 Y446 A464 | N25-L439 PolarHBondContact ND2-O 3.18Å; N25-A443 WeakPolarHBondContact CB-O 3.42Å; N25-A443 PolarHBondContact ND2-O 3.33Å; N25-D444 PolarHBondContact N-O 3.46Å; N25-Y446 WeakPolarHBondContact ND2-CD1 2.92Å; N25-A464 WeakPolarHBondContact O-CB 3.1Å |
| 26 | R | 96.6 | Very high | 91.9 | Very high | 72 Ų | 72 | 55.3 Ų | 55.3 | 27% | 0.272 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -138.1 | 137.4 | 178.4 | -79.8 | 165.9 | -76.2 | -77.3 | -9.6 | 109.7 | V24 L28 I440 R441 Y442 A443 D444 | V24-R26 WeakPolarHBondContact CG1-O 3.25Å; R26-L28 PolarHBondContact O-N 3.1Å; R26-I440 VanDerWaalsContact CZ-O 3.26Å; R26-I440 PolarHBondContact NH1-O 2.88Å; R26-I440 PolarHBondContact NH2-O 2.81Å; R26-R441 VanDerWaalsContact CZ-O 3.24Å; R26-R441 PolarHBondContact NH1-O 3.21Å; R26-R441 VanDerWaalsContact NH1-O 3.08Å; R26-R441 PolarHBondContact NH2-O 3Å; R26-Y442 VanDerWaalsContact NH2-C 3.3Å; R26-A443 PolarHBondContact NH2-O 2.82Å; R26-D444 HydrophobicContact CB-CB 4.33Å; R26-D444 VanDerWaalsContact CD-OD1 3.26Å; R26-D444 WeakPolarHBondContact CD-OD1 3.35Å; R26-D444 IonicContact CZ-OD1 2.69Å; R26-D444 PolarHBondContact N-O 2.85Å; R26-D444 IonicContact NE-OD1 2.75Å; R26-D444 PolarHBondContact NE-OD1 3.24Å |
| 27 | S | 97 | Very high | 94.1 | Very high | 61 Ų | 61 | 51.2 Ų | 51.2 | 43% | 0.427 | 25% | 0.25 | S | S | . | . | trans | -59.1 | 137.7 | -179 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | F462 A464 | S27-F462 CarbonylContact C-O 3.58Å; S27-F462 WeakPolarHBondContact CA-O 3.37Å; S27-F462 WeakPolarHBondContact CB-O 3.31Å; S27-A464 PolarHBondContact OG-N 2.87Å | ||
| 28 | L | 97.1 | Very high | 95.2 | Very high | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 124.3 | -175.8 | -173.4 | 155.2 | 0 | 0 | 0 | 109.7 | R26 L30 I33 L332 K352 D444 L445 F462 | R26-L28 PolarHBondContact O-N 3.1Å; L28-L30 HydrophobicContact CD2-CD2 3.69Å; L28-L30 HydrophobicContact CD2-CG 4.3Å; L28-I33 HydrophobicContact CD2-CD1 4.29Å; L28-I33 HydrophobicContact CD2-CG1 4.1Å; L28-L332 HydrophobicContact CD1-CD1 4.04Å; L28-K352 HydrophobicContact CD1-CB 3.76Å; L28-K352 HydrophobicContact CD1-CD 4.06Å; L28-K352 HydrophobicContact CD1-CG 4Å; L28-D444 HydrophobicContact CD1-CB 4.34Å; L28-L445 HydrophobicContact CD1-CD1 4.1Å; L28-L445 HydrophobicContact CD1-CG 4.3Å; L28-L445 HydrophobicContact CD2-CD1 4.28Å; L28-F462 HydrophobicContact CB-CB 4.47Å; L28-F462 HydrophobicContact CD2-CD2 4.41Å; L28-F462 PolarHBondContact N-O 2.98Å; L28-F462 WeakPolarHBondContact O-CB 3.39Å; L28-F462 PolarHBondContact O-N 3.21Å |
| 29 | T | 96.8 | Very high | 96.2 | Very high | 42 Ų | 42 | 43 Ų | 43 | 26% | 0.258 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.6 | 173.3 | -42.2 | 0 | 0 | 0 | 0 | 109.4 | E31 N32 L461 | T29-E31 HydrophobicContact CG2-CB 4.1Å; T29-E31 PolarHBondContact O-N 2.62Å; T29-N32 PolarHBondContact O-N 3.06Å; T29-L461 HydrophobicContact CG2-CD1 4.46Å; T29-L461 VanDerWaalsContact OG1-CD1 3.25Å; T29-L461 WeakPolarHBondContact OG1-CD1 3.48Å |
| 30 | L | 97 | Very high | 97 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -64.5 | -28.4 | -178.4 | -73.2 | -177.6 | 0 | 0 | 0 | 113 | L28 N32 I33 L332 F458 Y460 F462 | L28-L30 HydrophobicContact CD2-CD2 3.69Å; L28-L30 HydrophobicContact CD2-CG 4.3Å; L30-N32 PolarHBondContact O-N 3.39Å; L30-I33 WeakPolarHBondContact O-CB 3.33Å; L30-I33 PolarHBondContact O-N 3.02Å; L30-L332 HydrophobicContact CD2-CD2 4.33Å; L30-F458 CarbonylContact C-O 3.32Å; L30-F458 WeakPolarHBondContact CB-O 3.31Å; L30-Y460 PolarHBondContact N-O 2.92Å; L30-F462 HydrophobicContact CD1-CE2 3.81Å; L30-F462 HydrophobicContact CD2-CD2 4.49Å; L30-F462 HydrophobicContact CD2-CE2 4.04Å; L30-F462 HydrophobicContact CG-CD2 4.23Å; L30-F462 HydrophobicContact CG-CE2 3.82Å |
| 31 | E | 95.6 | Very high | 97.4 | Very high | 121 Ų | 121 | 34.2 Ų | 34.2 | 57% | 0.565 | 17% | 0.172 | S | C | * | . | G | 310 helix | trans | -61.1 | -27.5 | 178.7 | -170.7 | 173 | -170.3 | 0 | 0 | 113 | T29 I33 K34 F458 | T29-E31 HydrophobicContact CG2-CB 4.1Å; T29-E31 PolarHBondContact O-N 2.62Å; E31-I33 VanDerWaalsContact C-N 3.32Å; E31-K34 PolarHBondContact O-NZ 3.21Å; E31-F458 WeakPolarHBondContact CA-O 3.5Å; E31-F458 PolarHBondContact N-O 3.32Å |
| 32 | N | 96.4 | Very high | 97.6 | Very high | 96 Ų | 96 | 31.7 Ų | 31.7 | 51% | 0.513 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -81 | -15.3 | 179 | -65.5 | -13.4 | 0 | 0 | 0 | 112.4 | T29 L30 K34 | T29-N32 PolarHBondContact O-N 3.06Å; L30-N32 PolarHBondContact O-N 3.39Å; N32-K34 PolarHBondContact O-N 2.83Å |
| 33 | I | 98.1 | Very high | 97.6 | Very high | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.036 | 16% | 0.159 | C | C | . | . | trans | -79.4 | 119.5 | 179.2 | -54.5 | -55.8 | 0 | 0 | 0 | 108.8 | L28 L30 E31 C35 Y36 D330 L332 K352 | L28-I33 HydrophobicContact CD2-CD1 4.29Å; L28-I33 HydrophobicContact CD2-CG1 4.1Å; L30-I33 WeakPolarHBondContact O-CB 3.33Å; L30-I33 PolarHBondContact O-N 3.02Å; E31-I33 VanDerWaalsContact C-N 3.32Å; I33-C35 VanDerWaalsContact CG2-O 3.29Å; I33-C35 WeakPolarHBondContact CG2-O 3.41Å; I33-Y36 HydrophobicContact CB-CE2 4.03Å; I33-Y36 HydrophobicContact CG2-CD2 3.83Å; I33-Y36 HydrophobicContact CG2-CE1 4.2Å; I33-Y36 HydrophobicContact CG2-CE2 3.44Å; I33-Y36 VanDerWaalsContact CG2-CE2 3.44Å; I33-Y36 HydrophobicContact CG2-CG 4.35Å; I33-D330 CarbonylContact C-O 3.51Å; I33-L332 HydrophobicContact CD1-CB 4.21Å; I33-L332 HydrophobicContact CG1-CB 4.28Å; I33-L332 HydrophobicContact CG2-CB 3.67Å; I33-K352 HydrophobicContact CD1-CB 4.25Å; I33-K352 HydrophobicContact CD1-CG 3.99Å | ||
| 34 | K | 98.1 | Very high | 97.6 | Very high | 105 Ų | 105 | 29.9 Ų | 29.9 | 46% | 0.457 | 15% | 0.153 | S | C | . | . | trans | -102.2 | -14.7 | 178.7 | -50.7 | -53.1 | 177.3 | -166.5 | 0 | 112.6 | E31 N32 A230 K231 V326 D330 | E31-K34 PolarHBondContact O-NZ 3.21Å; N32-K34 PolarHBondContact O-N 2.83Å; K34-A230 WeakPolarHBondContact O-CB 3.12Å; K34-K231 PolarHBondContact O-N 2.88Å; K34-V326 HydrophobicContact CB-CG1 4.39Å; K34-D330 HydrophobicContact CB-CB 4.14Å; K34-D330 HydrophobicContact CG-CB 4.18Å; K34-D330 PolarHBondContact N-O 2.86Å | ||
| 35 | C | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 135.8 | 178.9 | -161.7 | 0 | 0 | 0 | 0 | 112.8 | I33 K231 F233 V326 D330 I331 L332 | I33-C35 VanDerWaalsContact CG2-O 3.29Å; I33-C35 WeakPolarHBondContact CG2-O 3.41Å; C35-K231 CarbonylContact C-O 3.48Å; C35-K231 VanDerWaalsContact CA-O 3.27Å; C35-K231 WeakPolarHBondContact CA-O 3.37Å; C35-K231 HydrophobicContact CB-CB 4.47Å; C35-F233 WeakPolarHBondContact SG-CD1 3.47Å; C35-V326 HydrophobicContact CB-CB 4.33Å; C35-V326 HydrophobicContact CB-CG1 4.08Å; C35-V326 HydrophobicContact CB-CG2 4.03Å; C35-D330 PolarHBondContact N-O 3.14Å; C35-I331 HydrophobicContact CB-CG1 4.12Å; C35-I331 WeakPolarHBondContact O-CA 3.27Å; C35-L332 PolarHBondContact O-N 3.36Å |
| 36 | Y | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 116.5 | 175.5 | -68.7 | -107.9 | 0 | 0 | 0 | 109 | I33 I226 A230 K231 I232 F233 L332 I334 | I33-Y36 HydrophobicContact CB-CE2 4.03Å; I33-Y36 HydrophobicContact CG2-CD2 3.83Å; I33-Y36 HydrophobicContact CG2-CE1 4.2Å; I33-Y36 HydrophobicContact CG2-CE2 3.44Å; I33-Y36 VanDerWaalsContact CG2-CE2 3.44Å; I33-Y36 HydrophobicContact CG2-CG 4.35Å; Y36-I226 HydrophobicContact CD1-CD1 4.02Å; Y36-I226 HydrophobicContact CD1-CG2 4.31Å; Y36-I226 HydrophobicContact CD2-CG2 3.33Å; Y36-I226 HydrophobicContact CE1-CD1 4.48Å; Y36-I226 HydrophobicContact CE2-CG2 3.89Å; Y36-I226 HydrophobicContact CG-CD1 4.23Å; Y36-I226 HydrophobicContact CG-CG2 3.59Å; Y36-A230 HydrophobicContact CD2-CB 3.68Å; Y36-A230 HydrophobicContact CE2-CB 3.66Å; Y36-K231 PolarHBondContact N-O 2.74Å; Y36-I232 CarbonylContact O-C 3.56Å; Y36-I232 VanDerWaalsContact O-CA 3.3Å; Y36-I232 WeakPolarHBondContact O-CA 3.33Å; Y36-F233 PolarHBondContact O-N 2.71Å; Y36-L332 WeakPolarHBondContact CA-O 3.2Å; Y36-L332 HydrophobicContact CD1-CB 4.34Å; Y36-L332 HydrophobicContact CD1-CD2 4.06Å; Y36-L332 HydrophobicContact CE1-CB 4.49Å; Y36-L332 HydrophobicContact CE1-CD2 3.77Å; Y36-I334 HydrophobicContact CD1-CD1 4.1Å |
| 37 | G | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 135.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F233 L332 Y333 I334 | G37-F233 CarbonylContact C-O 3.47Å; G37-F233 WeakPolarHBondContact CA-O 3.46Å; G37-L332 PolarHBondContact N-O 2.84Å; G37-Y333 CarbonylContact O-C 3.51Å; G37-Y333 WeakPolarHBondContact O-CA 3.29Å; G37-Y333 WeakPolarHBondContact O-CD2 3.41Å; G37-I334 WeakPolarHBondContact O-CD1 3.48Å; G37-I334 PolarHBondContact O-N 3.35Å |
| 38 | F | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 141.4 | -179.7 | -68.4 | -94.9 | 0 | 0 | 0 | 111.1 | L44 L223 I226 I232 F233 L234 A235 I334 C450 | F38-L44 HydrophobicContact CB-CD1 3.72Å; F38-L44 HydrophobicContact CB-CG 4.11Å; F38-L44 HydrophobicContact CD1-CD1 4.29Å; F38-L44 HydrophobicContact CD1-CD2 3.67Å; F38-L44 HydrophobicContact CD1-CG 3.95Å; F38-L44 HydrophobicContact CE1-CD2 4.04Å; F38-L44 HydrophobicContact CG-CD1 4.12Å; F38-L44 HydrophobicContact CG-CD2 4.27Å; F38-L44 HydrophobicContact CG-CG 4.28Å; F38-L223 HydrophobicContact CD2-CD2 4.25Å; F38-L223 HydrophobicContact CE2-CD2 3.75Å; F38-L223 HydrophobicContact CZ-CD2 3.91Å; F38-I226 HydrophobicContact CE2-CD1 4.27Å; F38-I226 HydrophobicContact CZ-CD1 3.89Å; F38-I232 HydrophobicContact CD2-CG2 3.92Å; F38-I232 HydrophobicContact CE2-CG2 3.93Å; F38-F233 PolarHBondContact N-O 2.83Å; F38-L234 HydrophobicContact CB-CD1 4.28Å; F38-A235 PolarHBondContact O-N 3.33Å; F38-I334 HydrophobicContact CD1-CB 4Å; F38-I334 HydrophobicContact CD1-CD1 4.12Å; F38-I334 HydrophobicContact CD1-CG2 4.22Å; F38-I334 HydrophobicContact CD2-CD1 4.43Å; F38-I334 HydrophobicContact CE1-CB 4.22Å; F38-I334 HydrophobicContact CE1-CD1 3.77Å; F38-I334 HydrophobicContact CE1-CG1 4.35Å; F38-I334 HydrophobicContact CE1-CG2 4.31Å; F38-I334 HydrophobicContact CE2-CD1 4.09Å; F38-I334 HydrophobicContact CG-CD1 4.45Å; F38-I334 HydrophobicContact CZ-CD1 3.76Å; F38-C450 HydrophobicContact CE1-CB 4.35Å |
| 39 | D | 98.4 | Very high | 97.6 | Very high | 10 Ų | 10 | 29.2 Ų | 29.2 | 5% | 0.053 | 15% | 0.15 | C | C | . | . | trans | -78.8 | 162.8 | 149.8 | -161.2 | 10.1 | 0 | 0 | 0 | 110.8 | T43 T236 K277 I334 | D39-T43 HydrophobicContact CB-CG2 4.38Å; D39-T43 WeakPolarHBondContact O-CB 3.46Å; D39-T43 WeakPolarHBondContact O-CG2 3.16Å; D39-T236 WeakPolarHBondContact OD1-CA 3.48Å; D39-T236 PolarHBondContact OD1-OG1 3.2Å; D39-K277 IonicContact OD1-NZ 3.93Å; D39-K277 PolarHBondContact OD1-NZ 3.44Å; D39-K277 VanDerWaalsContact OD1-NZ 3.1Å; D39-K277 IonicContact OD2-NZ 2.69Å; D39-K277 PolarHBondContact OD2-NZ 3.35Å; D39-I334 PolarHBondContact N-O 3.19Å | ||
| 40 | M | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -93.3 | -69.3 | 178.3 | -172.1 | -176 | 75.2 | 0 | 0 | 111.6 | T43 L44 A45 L234 T236 Y242 T243 I246 M247 | M40-T43 PolarHBondContact O-N 2.82Å; M40-L44 PolarHBondContact O-N 2.86Å; M40-A45 HydrophobicContact CG-CB 4.23Å; M40-A45 PolarHBondContact O-N 3.39Å; M40-L234 HydrophobicContact CB-CD1 4.22Å; M40-T236 HydrophobicContact CB-CG2 4.43Å; M40-Y242 HydrophobicContact CE-CD1 3.75Å; M40-Y242 HydrophobicContact CE-CE1 3.83Å; M40-T243 HydrophobicContact SD-CG2 3.78Å; M40-I246 HydrophobicContact CE-CG1 4.48Å; M40-I246 HydrophobicContact CG-CG2 4.35Å; M40-I246 HydrophobicContact SD-CB 4.14Å; M40-I246 HydrophobicContact SD-CG2 4.07Å; M40-M247 HydrophobicContact CG-SD 4.08Å; M40-M247 HydrophobicContact SD-CG 4.19Å; M40-M247 HydrophobicContact SD-SD 4.3Å |
| 41 | D | 97.1 | Very high | 97.7 | Very high | 14 Ų | 14 | 32.9 Ų | 32.9 | 8% | 0.075 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -64 | 133.6 | -171.6 | -66.5 | -56.9 | 0 | 0 | 0 | 111.2 | T43 Y47 F144 S238 | D41-T43 PolarHBondContact O-N 3.48Å; D41-T43 PolarHBondContact O-OG1 3.27Å; D41-Y47 HydrophobicContact CB-CE2 4.1Å; D41-Y47 PolarHBondContact OD1-OH 2.94Å; D41-F144 HydrophobicContact CB-CE2 4Å; D41-F144 HydrophobicContact CB-CZ 3.9Å; D41-S238 PolarHBondContact OD2-OG 2.83Å |
| 42 | Y | 97.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 2% | 0.02 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 9.4 | -175.2 | -72.5 | -70.5 | 0 | 0 | 0 | 116.4 | A45 M46 Y47 Y52 L143 F144 | Y42-A45 WeakPolarHBondContact CA-O 3.25Å; Y42-A45 PolarHBondContact N-O 2.9Å; Y42-M46 HydrophobicContact CD1-SD 3.99Å; Y42-M46 VanDerWaalsContact O-CE 3.29Å; Y42-M46 WeakPolarHBondContact O-CE 3.25Å; Y42-Y47 HydrophobicContact CD1-CD2 4.01Å; Y42-Y47 AromaticContact CD2-CD2 3.87Å; Y42-Y47 HydrophobicContact CD2-CD2 3.87Å; Y42-Y47 HydrophobicContact CD2-CE2 4.28Å; Y42-Y47 AromaticContact CE1-CD2 3.84Å; Y42-Y47 HydrophobicContact CE1-CD2 3.84Å; Y42-Y47 HydrophobicContact CE1-CG 4.3Å; Y42-Y47 AromaticContact CE2-CD2 3.68Å; Y42-Y47 HydrophobicContact CE2-CD2 3.68Å; Y42-Y47 HydrophobicContact CE2-CE2 4.31Å; Y42-Y47 HydrophobicContact CG-CD2 4.04Å; Y42-Y47 AromaticContact CZ-CD2 3.68Å; Y42-Y52 WeakPolarHBondContact OH-CD1 3.31Å; Y42-L143 HydrophobicContact CD1-CB 3.99Å; Y42-L143 HydrophobicContact CD1-CD1 3.31Å; Y42-L143 HydrophobicContact CD1-CG 4.28Å; Y42-L143 HydrophobicContact CD2-CB 3.88Å; Y42-L143 HydrophobicContact CD2-CD1 4.46Å; Y42-L143 HydrophobicContact CE1-CB 3.69Å; Y42-L143 HydrophobicContact CE1-CD1 3.58Å; Y42-L143 HydrophobicContact CE1-CG 4.25Å; Y42-L143 HydrophobicContact CE2-CB 3.58Å; Y42-L143 HydrophobicContact CG-CB 4.06Å; Y42-L143 HydrophobicContact CG-CD1 3.79Å; Y42-L143 VanDerWaalsContact CZ-CB 3.46Å; Y42-F144 AromaticContact CD2-CD2 3.96Å; Y42-F144 HydrophobicContact CD2-CD2 3.96Å; Y42-F144 HydrophobicContact CD2-CE1 4.44Å; Y42-F144 AromaticContact CD2-CE2 3.56Å; Y42-F144 HydrophobicContact CD2-CE2 3.56Å; Y42-F144 AromaticContact CD2-CZ 3.83Å; Y42-F144 HydrophobicContact CD2-CZ 3.83Å; Y42-F144 HydrophobicContact CE2-CD1 4Å; Y42-F144 AromaticContact CE2-CD2 3.87Å; Y42-F144 HydrophobicContact CE2-CD2 3.87Å; Y42-F144 AromaticContact CE2-CE1 3.86Å; Y42-F144 HydrophobicContact CE2-CE1 3.86Å; Y42-F144 AromaticContact CE2-CE2 3.72Å; Y42-F144 HydrophobicContact CE2-CE2 3.72Å; Y42-F144 HydrophobicContact CE2-CG 4.01Å; Y42-F144 AromaticContact CE2-CZ 3.72Å; Y42-F144 HydrophobicContact CE2-CZ 3.72Å |
| 43 | T | 98.1 | Very high | 97.9 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 2% | 0.018 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.3 | -65.6 | 179.9 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | D39 M40 D41 I334 G335 D336 V356 C450 | D39-T43 HydrophobicContact CB-CG2 4.38Å; D39-T43 WeakPolarHBondContact O-CB 3.46Å; D39-T43 WeakPolarHBondContact O-CG2 3.16Å; M40-T43 PolarHBondContact O-N 2.82Å; D41-T43 PolarHBondContact O-N 3.48Å; D41-T43 PolarHBondContact O-OG1 3.27Å; T43-I334 HydrophobicContact CG2-CG2 3.86Å; T43-I334 WeakPolarHBondContact CG2-O 3.28Å; T43-G335 WeakPolarHBondContact OG1-CA 3.45Å; T43-D336 PolarHBondContact OG1-N 3.36Å; T43-D336 PolarHBondContact OG1-OD1 3.05Å; T43-V356 HydrophobicContact CG2-CG2 4.02Å; T43-C450 PolarHBondContact O-SG 3.47Å |
| 44 | L | 97.9 | Very high | 97.9 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 3% | 0.031 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -42.9 | 169.3 | -71.7 | 174.2 | 0 | 0 | 0 | 110.7 | F38 M40 M46 I219 L234 M247 F268 | F38-L44 HydrophobicContact CB-CD1 3.72Å; F38-L44 HydrophobicContact CB-CG 4.11Å; F38-L44 HydrophobicContact CD1-CD1 4.29Å; F38-L44 HydrophobicContact CD1-CD2 3.67Å; F38-L44 HydrophobicContact CD1-CG 3.95Å; F38-L44 HydrophobicContact CE1-CD2 4.04Å; F38-L44 HydrophobicContact CG-CD1 4.12Å; F38-L44 HydrophobicContact CG-CD2 4.27Å; F38-L44 HydrophobicContact CG-CG 4.28Å; M40-L44 PolarHBondContact O-N 2.86Å; L44-M46 PolarHBondContact O-N 2.88Å; L44-I219 HydrophobicContact CD2-CG2 3.99Å; L44-I219 WeakPolarHBondContact O-CD1 3.29Å; L44-L234 HydrophobicContact CD1-CD1 3.94Å; L44-M247 HydrophobicContact CD1-CE 4.16Å; L44-F268 HydrophobicContact CD1-CZ 4.22Å |
| 45 | A | 97.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | B | Isolated β-bridge | trans | -95.9 | 89 | 178.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | M40 Y42 Y47 I246 L250 | M40-A45 HydrophobicContact CG-CB 4.23Å; M40-A45 PolarHBondContact O-N 3.39Å; Y42-A45 WeakPolarHBondContact CA-O 3.25Å; Y42-A45 PolarHBondContact N-O 2.9Å; A45-Y47 PolarHBondContact O-N 2.89Å; A45-I246 HydrophobicContact CB-CG2 3.5Å; A45-I246 VanDerWaalsContact CB-CG2 3.5Å; A45-L250 HydrophobicContact CB-CD1 3.88Å |
| 46 | M | 97.5 | Very high | 97.8 | Very high | 35 Ų | 35 | 20.1 Ų | 20.1 | 17% | 0.172 | 11% | 0.114 | C | C | . | . | P | Polyproline II helix | trans | -78.2 | 121.5 | 176.2 | -164.3 | 60.9 | 62.4 | 0 | 0 | 110.2 | Y42 L44 V214 V356 P358 | Y42-M46 HydrophobicContact CD1-SD 3.99Å; Y42-M46 VanDerWaalsContact O-CE 3.29Å; Y42-M46 WeakPolarHBondContact O-CE 3.25Å; L44-M46 PolarHBondContact O-N 2.88Å; M46-V214 HydrophobicContact CB-CB 4.07Å; M46-V214 HydrophobicContact CB-CG2 4.14Å; M46-V214 HydrophobicContact CG-CG2 4.26Å; M46-V214 PolarHBondContact O-N 3.01Å; M46-V356 HydrophobicContact CE-CG1 3.99Å; M46-P358 HydrophobicContact CE-CB 4.04Å; M46-P358 HydrophobicContact CE-CG 3.52Å; M46-P358 HydrophobicContact SD-CB 3.62Å; M46-P358 HydrophobicContact SD-CG 3.4Å; M46-P358 WeakPolarHBondContact SD-CG 3.38Å |
| 47 | Y | 97.8 | Very high | 97.8 | Very high | 8 Ų | 8 | 20 Ų | 20 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -82.3 | 144.3 | 175.1 | -60.8 | -75.4 | 0 | 0 | 0 | 111.4 | D41 Y42 A45 Y52 F144 T205 Y212 V213 Y242 | D41-Y47 HydrophobicContact CB-CE2 4.1Å; D41-Y47 PolarHBondContact OD1-OH 2.94Å; Y42-Y47 HydrophobicContact CD1-CD2 4.01Å; Y42-Y47 AromaticContact CD2-CD2 3.87Å; Y42-Y47 HydrophobicContact CD2-CD2 3.87Å; Y42-Y47 HydrophobicContact CD2-CE2 4.28Å; Y42-Y47 AromaticContact CE1-CD2 3.84Å; Y42-Y47 HydrophobicContact CE1-CD2 3.84Å; Y42-Y47 HydrophobicContact CE1-CG 4.3Å; Y42-Y47 AromaticContact CE2-CD2 3.68Å; Y42-Y47 HydrophobicContact CE2-CD2 3.68Å; Y42-Y47 HydrophobicContact CE2-CE2 4.31Å; Y42-Y47 HydrophobicContact CG-CD2 4.04Å; Y42-Y47 AromaticContact CZ-CD2 3.68Å; A45-Y47 PolarHBondContact O-N 2.89Å; Y47-Y52 HydrophobicContact CD1-CD1 4.28Å; Y47-Y52 AromaticContact CD1-CD2 3.57Å; Y47-Y52 HydrophobicContact CD1-CD2 3.57Å; Y47-Y52 HydrophobicContact CD1-CE1 4.14Å; Y47-Y52 AromaticContact CD1-CE2 3.38Å; Y47-Y52 HydrophobicContact CD1-CE2 3.38Å; Y47-Y52 HydrophobicContact CD1-CG 4Å; Y47-Y52 AromaticContact CD1-CZ 3.7Å; Y47-Y52 HydrophobicContact CD2-CD1 4.35Å; Y47-Y52 HydrophobicContact CD2-CE1 4.06Å; Y47-Y52 HydrophobicContact CE1-CD2 4.29Å; Y47-Y52 AromaticContact CE1-CE2 3.65Å; Y47-Y52 HydrophobicContact CE1-CE2 3.65Å; Y47-Y52 AromaticContact CE1-CZ 3.78Å; Y47-Y52 HydrophobicContact CE2-CE1 4.45Å; Y47-Y52 AromaticContact CG-CD1 3.87Å; Y47-Y52 HydrophobicContact CG-CD1 3.87Å; Y47-Y52 AromaticContact CG-CD2 3.97Å; Y47-Y52 HydrophobicContact CG-CD2 3.97Å; Y47-Y52 AromaticContact CG-CE1 3.89Å; Y47-Y52 HydrophobicContact CG-CE1 3.89Å; Y47-Y52 AromaticContact CG-CE2 3.97Å; Y47-Y52 HydrophobicContact CG-CE2 3.97Å; Y47-Y52 AromaticContact CG-CG 3.91Å; Y47-Y52 HydrophobicContact CG-CG 3.91Å; Y47-Y52 AromaticContact CG-CZ 3.94Å; Y47-F144 HydrophobicContact CE2-CE1 4.46Å; Y47-F144 HydrophobicContact CE2-CZ 4.05Å; Y47-T205 HydrophobicContact CE1-CG2 4.03Å; Y47-Y212 CarbonylContact C-O 3.59Å; Y47-Y212 WeakPolarHBondContact CA-O 3.49Å; Y47-V213 HydrophobicContact CD1-CG2 3.94Å; Y47-V213 HydrophobicContact CE1-CG2 3.88Å; Y47-Y242 WeakPolarHBondContact OH-CE1 3.08Å; Y47-Y242 PolarHBondContact OH-OH 3.31Å |
| 48 | K | 97.9 | Very high | 97.8 | Very high | 77 Ų | 77 | 23.9 Ų | 23.9 | 34% | 0.335 | 13% | 0.132 | S | C | . | . | P | Polyproline II helix | trans | -77.9 | 124.5 | -178.6 | -64.8 | -167.6 | -170.2 | 172.1 | 0 | 110.8 | D51 Y52 E210 K211 Y212 V213 V214 | K48-D51 PolarHBondContact O-N 2.93Å; K48-Y52 WeakPolarHBondContact O-CB 3.3Å; K48-Y52 PolarHBondContact O-N 3.23Å; K48-E210 WeakPolarHBondContact CE-O 3.46Å; K48-E210 PolarHBondContact NZ-O 2.8Å; K48-K211 WeakPolarHBondContact CD-O 3.49Å; K48-Y212 PolarHBondContact N-O 3.14Å; K48-V213 WeakPolarHBondContact CE-O 3.09Å; K48-V214 HydrophobicContact CG-CG2 3.71Å |
| 49 | S | 96.4 | Very high | 97.8 | Very high | 79 Ų | 79 | 25.1 Ų | 25.1 | 55% | 0.552 | 14% | 0.139 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 139.2 | 173.6 | -168.7 | 0 | 0 | 0 | 0 | 110.8 | E53 | S49-E53 VanDerWaalsContact CA-OE2 3.3Å; S49-E53 WeakPolarHBondContact CA-OE2 3.13Å; S49-E53 WeakPolarHBondContact CB-OE1 3.37Å; S49-E53 PolarHBondContact OG-OE1 3.21Å; S49-E53 PolarHBondContact OG-OE2 3.12Å |
| 50 | P | 97.3 | Very high | 97.7 | Very high | 56 Ų | 56 | 24.6 Ų | 24.6 | 36% | 0.364 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -92.6 | 5.3 | 2.4 | 38.4 | -36.9 | 0 | 0 | 0 | 114.2 | Y52 E53 S54 Y78 P80 | P50-Y52 VanDerWaalsContact C-N 3.34Å; P50-Y52 PolarHBondContact O-N 3.27Å; P50-E53 PolarHBondContact O-N 2.92Å; P50-S54 VanDerWaalsContact O-CB 3.3Å; P50-S54 WeakPolarHBondContact O-CB 3.24Å; P50-S54 PolarHBondContact O-N 3.36Å; P50-Y78 HydrophobicContact CB-CD1 4.43Å; P50-Y78 HydrophobicContact CB-CE1 4.27Å; P50-P80 HydrophobicContact CB-CB 3.88Å; P50-P80 HydrophobicContact CB-CG 3.92Å; P50-P80 HydrophobicContact CG-CG 4.34Å |
| 51 | D | 98.1 | Very high | 97.7 | Very high | 67 Ų | 67 | 26.1 Ų | 26.1 | 36% | 0.358 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -58.6 | -42 | -171.8 | -76.1 | -55.2 | 0 | 0 | 0 | 113.2 | K48 M55 Y212 | K48-D51 PolarHBondContact O-N 2.93Å; D51-M55 PolarHBondContact O-N 3.41Å; D51-M55 VanDerWaalsContact O-N 3.11Å; D51-Y212 HydrophobicContact CB-CD1 4.26Å; D51-Y212 HydrophobicContact CB-CE1 4.26Å |
| 52 | Y | 97.8 | Very high | 97.8 | Very high | 9 Ų | 9 | 28.9 Ų | 28.9 | 4% | 0.035 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -71.8 | -44.8 | -178.3 | -166.5 | -102.7 | 0 | 0 | 0 | 112 | Y42 Y47 K48 P50 S54 M55 G56 F144 T205 Y212 | Y42-Y52 WeakPolarHBondContact OH-CD1 3.31Å; Y47-Y52 HydrophobicContact CD1-CD1 4.28Å; Y47-Y52 AromaticContact CD1-CD2 3.57Å; Y47-Y52 HydrophobicContact CD1-CD2 3.57Å; Y47-Y52 HydrophobicContact CD1-CE1 4.14Å; Y47-Y52 AromaticContact CD1-CE2 3.38Å; Y47-Y52 HydrophobicContact CD1-CE2 3.38Å; Y47-Y52 HydrophobicContact CD1-CG 4Å; Y47-Y52 AromaticContact CD1-CZ 3.7Å; Y47-Y52 HydrophobicContact CD2-CD1 4.35Å; Y47-Y52 HydrophobicContact CD2-CE1 4.06Å; Y47-Y52 HydrophobicContact CE1-CD2 4.29Å; Y47-Y52 AromaticContact CE1-CE2 3.65Å; Y47-Y52 HydrophobicContact CE1-CE2 3.65Å; Y47-Y52 AromaticContact CE1-CZ 3.78Å; Y47-Y52 HydrophobicContact CE2-CE1 4.45Å; Y47-Y52 AromaticContact CG-CD1 3.87Å; Y47-Y52 HydrophobicContact CG-CD1 3.87Å; Y47-Y52 AromaticContact CG-CD2 3.97Å; Y47-Y52 HydrophobicContact CG-CD2 3.97Å; Y47-Y52 AromaticContact CG-CE1 3.89Å; Y47-Y52 HydrophobicContact CG-CE1 3.89Å; Y47-Y52 AromaticContact CG-CE2 3.97Å; Y47-Y52 HydrophobicContact CG-CE2 3.97Å; Y47-Y52 AromaticContact CG-CG 3.91Å; Y47-Y52 HydrophobicContact CG-CG 3.91Å; Y47-Y52 AromaticContact CG-CZ 3.94Å; K48-Y52 WeakPolarHBondContact O-CB 3.3Å; K48-Y52 PolarHBondContact O-N 3.23Å; P50-Y52 VanDerWaalsContact C-N 3.34Å; P50-Y52 PolarHBondContact O-N 3.27Å; Y52-S54 VanDerWaalsContact C-N 3.32Å; Y52-S54 PolarHBondContact O-N 3.25Å; Y52-M55 HydrophobicContact CD2-CE 3.64Å; Y52-M55 HydrophobicContact CE2-CE 3.65Å; Y52-M55 HydrophobicContact CG-CE 4.47Å; Y52-M55 PolarHBondContact O-N 3.39Å; Y52-G56 PolarHBondContact O-N 3Å; Y52-F144 HydrophobicContact CE1-CD1 4.16Å; Y52-F144 AromaticContact CE1-CE1 3.76Å; Y52-F144 HydrophobicContact CE1-CE1 3.76Å; Y52-T205 HydrophobicContact CE2-CG2 3.92Å; Y52-T205 WeakPolarHBondContact CE2-OG1 3.38Å; Y52-Y212 HydrophobicContact CD2-CD1 4.2Å; Y52-Y212 HydrophobicContact CD2-CG 4.29Å |
| 53 | E | 97.8 | Very high | 97.8 | Very high | 9 Ų | 9 | 32.1 Ų | 32.1 | 4% | 0.042 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -64.9 | -36.7 | 176.6 | -59.2 | 95 | 132.2 | 0 | 0 | 111.7 | S49 P50 G56 F57 Y78 L146 S147 | S49-E53 VanDerWaalsContact CA-OE2 3.3Å; S49-E53 WeakPolarHBondContact CA-OE2 3.13Å; S49-E53 WeakPolarHBondContact CB-OE1 3.37Å; S49-E53 PolarHBondContact OG-OE1 3.21Å; S49-E53 PolarHBondContact OG-OE2 3.12Å; P50-E53 PolarHBondContact O-N 2.92Å; E53-G56 PolarHBondContact O-N 2.88Å; E53-F57 VanDerWaalsContact O-CB 3.28Å; E53-F57 WeakPolarHBondContact O-CB 3.22Å; E53-F57 PolarHBondContact O-N 3.38Å; E53-Y78 HydrophobicContact CB-CD1 4.14Å; E53-Y78 HydrophobicContact CB-CE1 3.44Å; E53-Y78 VanDerWaalsContact CB-CE1 3.44Å; E53-Y78 HydrophobicContact CB-CE2 4.21Å; E53-Y78 VanDerWaalsContact CB-CZ 3.49Å; E53-Y78 HydrophobicContact CG-CE1 4.39Å; E53-L146 HydrophobicContact CG-CB 4.26Å; E53-L146 HydrophobicContact CG-CD1 4.13Å; E53-S147 WeakPolarHBondContact CA-OG 3.47Å; E53-S147 PolarHBondContact O-OG 2.89Å |
| 54 | S | 98.1 | Very high | 97.8 | Very high | 30 Ų | 30 | 32 Ų | 32 | 21% | 0.21 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.2 | -44.7 | 175.3 | -166.7 | 0 | 0 | 0 | 0 | 111.5 | P50 Y52 F57 E58 | P50-S54 VanDerWaalsContact O-CB 3.3Å; P50-S54 WeakPolarHBondContact O-CB 3.24Å; P50-S54 PolarHBondContact O-N 3.36Å; Y52-S54 VanDerWaalsContact C-N 3.32Å; Y52-S54 PolarHBondContact O-N 3.25Å; S54-F57 PolarHBondContact O-N 2.8Å; S54-E58 WeakPolarHBondContact O-CG 3.35Å; S54-E58 PolarHBondContact O-N 3.19Å |
| 55 | M | 97.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.7 | -47.1 | 174.6 | 178.4 | -173.3 | 59.9 | 0 | 0 | 111.2 | D51 Y52 F57 E58 L59 L201 Q204 Y212 | D51-M55 PolarHBondContact O-N 3.41Å; D51-M55 VanDerWaalsContact O-N 3.11Å; Y52-M55 HydrophobicContact CD2-CE 3.64Å; Y52-M55 HydrophobicContact CE2-CE 3.65Å; Y52-M55 HydrophobicContact CG-CE 4.47Å; Y52-M55 PolarHBondContact O-N 3.39Å; M55-F57 VanDerWaalsContact C-N 3.3Å; M55-F57 PolarHBondContact O-N 2.9Å; M55-E58 PolarHBondContact O-N 3.11Å; M55-L59 HydrophobicContact CG-CD1 4.31Å; M55-L59 WeakPolarHBondContact O-CG 3.07Å; M55-L59 PolarHBondContact O-N 3.01Å; M55-L201 HydrophobicContact CE-CD1 3.47Å; M55-L201 VanDerWaalsContact CE-CD1 3.47Å; M55-L201 HydrophobicContact CE-CG 4.48Å; M55-Q204 HydrophobicContact SD-CB 3.64Å; M55-Y212 HydrophobicContact CB-CE1 4.13Å; M55-Y212 HydrophobicContact CE-CD1 4.27Å; M55-Y212 HydrophobicContact CE-CD2 4.5Å; M55-Y212 HydrophobicContact CE-CE1 4.22Å; M55-Y212 HydrophobicContact CE-CE2 4.42Å; M55-Y212 HydrophobicContact CE-CG 4.42Å; M55-Y212 HydrophobicContact SD-CD2 4.33Å; M55-Y212 HydrophobicContact SD-CE1 3.94Å; M55-Y212 HydrophobicContact SD-CE2 3.71Å |
| 56 | G | 97.4 | Very high | 97.8 | Very high | 7 Ų | 7 | 36.2 Ų | 36.2 | 7% | 0.072 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.5 | -40.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y52 E53 L60 | Y52-G56 PolarHBondContact O-N 3Å; E53-G56 PolarHBondContact O-N 2.88Å; G56-L60 WeakPolarHBondContact O-CB 3.37Å; G56-L60 VanDerWaalsContact O-CG 3.27Å; G56-L60 WeakPolarHBondContact O-CG 3.35Å; G56-L60 PolarHBondContact O-N 3.26Å |
| 57 | F | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 176.8 | 172.9 | -92.1 | 0 | 0 | 0 | 112.6 | E53 S54 M55 L60 R61 Y76 Y78 Y150 L151 | E53-F57 VanDerWaalsContact O-CB 3.28Å; E53-F57 WeakPolarHBondContact O-CB 3.22Å; E53-F57 PolarHBondContact O-N 3.38Å; S54-F57 PolarHBondContact O-N 2.8Å; M55-F57 VanDerWaalsContact C-N 3.3Å; M55-F57 PolarHBondContact O-N 2.9Å; F57-L60 PolarHBondContact O-N 3.4Å; F57-R61 HydrophobicContact CE1-CB 4.48Å; F57-R61 VanDerWaalsContact O-CB 3.25Å; F57-R61 WeakPolarHBondContact O-CB 3.33Å; F57-R61 PolarHBondContact O-N 3.46Å; F57-Y76 WeakPolarHBondContact CE1-O 3.34Å; F57-Y78 HydrophobicContact CB-CD2 3.81Å; F57-Y78 HydrophobicContact CB-CG 4.16Å; F57-Y78 HydrophobicContact CD2-CD2 4.11Å; F57-Y78 AromaticContact CG-CD2 3.95Å; F57-Y78 HydrophobicContact CG-CD2 3.95Å; F57-Y78 HydrophobicContact CG-CG 4.37Å; F57-Y150 AromaticContact CD2-CD1 3.71Å; F57-Y150 HydrophobicContact CD2-CD1 3.71Å; F57-Y150 HydrophobicContact CD2-CE1 4.4Å; F57-Y150 AromaticContact CE2-CD1 3.42Å; F57-Y150 HydrophobicContact CE2-CD1 3.42Å; F57-Y150 VanDerWaalsContact CE2-CD1 3.42Å; F57-Y150 AromaticContact CE2-CE1 3.81Å; F57-Y150 HydrophobicContact CE2-CE1 3.81Å; F57-Y150 HydrophobicContact CZ-CD1 4.04Å; F57-Y150 AromaticContact CZ-CE1 3.95Å; F57-Y150 HydrophobicContact CZ-CE1 3.95Å; F57-L151 HydrophobicContact CD2-CB 4.03Å; F57-L151 HydrophobicContact CE2-CB 3.86Å; F57-L151 HydrophobicContact CE2-CD1 3.96Å; F57-L151 HydrophobicContact CZ-CD1 4.45Å |
| 58 | E | 98.1 | Very high | 97.8 | Very high | 82 Ų | 82 | 40.8 Ų | 40.8 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.5 | -46.8 | 177.8 | -74.3 | 169.6 | -163.1 | 0 | 0 | 111.3 | S54 M55 L60 R61 D62 | S54-E58 WeakPolarHBondContact O-CG 3.35Å; S54-E58 PolarHBondContact O-N 3.19Å; M55-E58 PolarHBondContact O-N 3.11Å; E58-L60 PolarHBondContact O-N 3.33Å; E58-R61 PolarHBondContact O-N 3.39Å; E58-D62 WeakPolarHBondContact O-CB 3.38Å; E58-D62 PolarHBondContact O-N 3.02Å |
| 59 | L | 97.9 | Very high | 97.8 | Very high | 25 Ų | 25 | 37.9 Ų | 37.9 | 13% | 0.131 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.6 | -44.8 | 176.3 | -70.3 | 174.6 | 0 | 0 | 0 | 112 | M55 R63 I195 T200 L201 | M55-L59 HydrophobicContact CG-CD1 4.31Å; M55-L59 WeakPolarHBondContact O-CG 3.07Å; M55-L59 PolarHBondContact O-N 3.01Å; L59-R63 VanDerWaalsContact O-CB 3.28Å; L59-R63 WeakPolarHBondContact O-CB 3.46Å; L59-R63 PolarHBondContact O-N 2.94Å; L59-I195 HydrophobicContact CB-CD1 3.84Å; L59-I195 HydrophobicContact CB-CG1 4.43Å; L59-I195 HydrophobicContact CB-CG2 4.5Å; L59-I195 HydrophobicContact CD1-CG2 4.21Å; L59-T200 HydrophobicContact CD1-CG2 4.46Å; L59-T200 HydrophobicContact CD2-CG2 3.96Å; L59-L201 HydrophobicContact CD1-CB 4.24Å; L59-L201 HydrophobicContact CD1-CD1 3.9Å |
| 60 | L | 97.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -51.8 | 176.1 | -75.7 | 168.3 | 0 | 0 | 0 | 111.6 | G56 F57 E58 D62 R63 M64 E148 L151 A191 M192 I195 | G56-L60 WeakPolarHBondContact O-CB 3.37Å; G56-L60 VanDerWaalsContact O-CG 3.27Å; G56-L60 WeakPolarHBondContact O-CG 3.35Å; G56-L60 PolarHBondContact O-N 3.26Å; F57-L60 PolarHBondContact O-N 3.4Å; E58-L60 PolarHBondContact O-N 3.33Å; L60-D62 VanDerWaalsContact C-N 3.29Å; L60-D62 PolarHBondContact O-N 2.81Å; L60-R63 WeakPolarHBondContact O-CB 3.26Å; L60-R63 PolarHBondContact O-N 3.44Å; L60-R63 VanDerWaalsContact O-N 3.14Å; L60-M64 VanDerWaalsContact O-CG 3.3Å; L60-M64 WeakPolarHBondContact O-CG 3.15Å; L60-M64 PolarHBondContact O-N 3.39Å; L60-E148 HydrophobicContact CD1-CG 3.95Å; L60-L151 HydrophobicContact CB-CD2 3.58Å; L60-L151 HydrophobicContact CD1-CD2 4.24Å; L60-L151 HydrophobicContact CG-CD2 4.45Å; L60-A191 HydrophobicContact CD2-CB 4.2Å; L60-M192 HydrophobicContact CD1-CE 3.54Å; L60-M192 HydrophobicContact CD2-CB 3.75Å; L60-M192 HydrophobicContact CD2-CE 3.84Å; L60-M192 HydrophobicContact CD2-CG 4.49Å; L60-M192 HydrophobicContact CD2-SD 4.14Å; L60-M192 HydrophobicContact CG-CE 3.88Å; L60-I195 HydrophobicContact CB-CD1 4.35Å; L60-I195 HydrophobicContact CD2-CD1 3.76Å; L60-I195 HydrophobicContact CG-CD1 3.97Å |
| 61 | R | 98 | Very high | 97.9 | Very high | 31 Ų | 31 | 38.9 Ų | 38.9 | 12% | 0.117 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.1 | -47 | -179.8 | 178.7 | -161.1 | 72 | -160.4 | -11.3 | 110.8 | F57 E58 R63 M64 V65 I73 L74 Y76 L151 | F57-R61 HydrophobicContact CE1-CB 4.48Å; F57-R61 VanDerWaalsContact O-CB 3.25Å; F57-R61 WeakPolarHBondContact O-CB 3.33Å; F57-R61 PolarHBondContact O-N 3.46Å; E58-R61 PolarHBondContact O-N 3.39Å; R61-R63 VanDerWaalsContact C-N 3.35Å; R61-M64 PolarHBondContact O-N 3.35Å; R61-V65 PolarHBondContact O-N 2.76Å; R61-I73 WeakPolarHBondContact CD-O 3.39Å; R61-I73 HydrophobicContact CG-CG1 4.31Å; R61-L74 HydrophobicContact CG-CD2 4.38Å; R61-L74 PolarHBondContact NH1-O 2.81Å; R61-Y76 PolarHBondContact NH1-O 2.93Å; R61-L151 HydrophobicContact CB-CD1 4.45Å |
| 62 | D | 98 | Very high | 97.8 | Very high | 73 Ų | 73 | 39 Ų | 39 | 39% | 0.39 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -68.3 | -37.4 | -179.1 | -64.7 | -1.5 | 0 | 0 | 0 | 110.9 | E58 L60 V65 S66 L74 | E58-D62 WeakPolarHBondContact O-CB 3.38Å; E58-D62 PolarHBondContact O-N 3.02Å; L60-D62 VanDerWaalsContact C-N 3.29Å; L60-D62 PolarHBondContact O-N 2.81Å; D62-V65 PolarHBondContact O-N 3.26Å; D62-S66 PolarHBondContact O-N 3.41Å; D62-L74 WeakPolarHBondContact OD1-CD2 3.36Å |
| 63 | R | 97.8 | Very high | 97.8 | Very high | 73 Ų | 73 | 38.6 Ų | 38.6 | 28% | 0.275 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.7 | -45.3 | 172.7 | 178.3 | 57 | -177.8 | 161.4 | -5.2 | 111.8 | L59 L60 R61 V65 S66 I67 A191 F194 I195 | L59-R63 VanDerWaalsContact O-CB 3.28Å; L59-R63 WeakPolarHBondContact O-CB 3.46Å; L59-R63 PolarHBondContact O-N 2.94Å; L60-R63 WeakPolarHBondContact O-CB 3.26Å; L60-R63 PolarHBondContact O-N 3.44Å; L60-R63 VanDerWaalsContact O-N 3.14Å; R61-R63 VanDerWaalsContact C-N 3.35Å; R63-V65 VanDerWaalsContact C-N 3.31Å; R63-V65 PolarHBondContact O-N 2.83Å; R63-S66 WeakPolarHBondContact CD-OG 3.33Å; R63-S66 PolarHBondContact NH1-OG 3.03Å; R63-S66 VanDerWaalsContact NH1-OG 3.16Å; R63-S66 WeakPolarHBondContact O-CB 3.42Å; R63-S66 PolarHBondContact O-N 3.32Å; R63-S66 VanDerWaalsContact O-N 3.1Å; R63-S66 PolarHBondContact O-OG 2.68Å; R63-I67 PolarHBondContact O-N 3.18Å; R63-A191 HydrophobicContact CB-CB 4.27Å; R63-A191 HydrophobicContact CG-CB 3.62Å; R63-F194 HydrophobicContact CG-CD1 4.24Å; R63-I195 HydrophobicContact CB-CD1 4.3Å |
| 64 | M | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -56.8 | -44.7 | 177.3 | -66.5 | -57.7 | -77.1 | 0 | 0 | 111.3 | L60 R61 S66 I67 G68 Y69 I73 L151 L155 D187 V188 A191 | L60-M64 VanDerWaalsContact O-CG 3.3Å; L60-M64 WeakPolarHBondContact O-CG 3.15Å; L60-M64 PolarHBondContact O-N 3.39Å; R61-M64 PolarHBondContact O-N 3.35Å; M64-S66 PolarHBondContact O-N 3.17Å; M64-I67 WeakPolarHBondContact O-CG1 3.4Å; M64-I67 PolarHBondContact O-N 3.07Å; M64-I67 HydrophobicContact SD-CD1 4.2Å; M64-G68 PolarHBondContact O-N 3.23Å; M64-Y69 HydrophobicContact CB-CD2 4.36Å; M64-Y69 HydrophobicContact CB-CG 4.23Å; M64-Y69 HydrophobicContact CE-CD1 3.98Å; M64-Y69 HydrophobicContact CE-CD2 3.73Å; M64-Y69 HydrophobicContact CE-CE1 3.64Å; M64-Y69 HydrophobicContact CE-CE2 3.38Å; M64-Y69 HydrophobicContact CE-CG 4.03Å; M64-Y69 VanDerWaalsContact O-CB 3.28Å; M64-Y69 WeakPolarHBondContact O-CB 3.22Å; M64-Y69 WeakPolarHBondContact O-CD2 3.39Å; M64-Y69 PolarHBondContact O-N 3.37Å; M64-Y69 VanDerWaalsContact O-N 3.07Å; M64-I73 HydrophobicContact CB-CD1 3.88Å; M64-L151 HydrophobicContact CG-CD2 3.98Å; M64-L155 HydrophobicContact CE-CD1 3.93Å; M64-D187 HydrophobicContact CE-CB 3.88Å; M64-D187 HydrophobicContact SD-CB 4.48Å; M64-V188 HydrophobicContact CE-CG2 3.77Å; M64-V188 HydrophobicContact SD-CG2 4.2Å; M64-A191 HydrophobicContact SD-CB 3.77Å |
| 65 | V | 98.4 | Very high | 97.7 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 11% | 0.109 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.4 | -41.2 | 176.2 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | R61 D62 R63 I67 G68 I73 L74 | R61-V65 PolarHBondContact O-N 2.76Å; D62-V65 PolarHBondContact O-N 3.26Å; R63-V65 VanDerWaalsContact C-N 3.31Å; R63-V65 PolarHBondContact O-N 2.83Å; V65-I67 PolarHBondContact O-N 2.85Å; V65-G68 PolarHBondContact O-N 2.92Å; V65-I73 HydrophobicContact CG2-CD1 3.62Å; V65-I73 HydrophobicContact CG2-CG1 3.44Å; V65-I73 VanDerWaalsContact CG2-CG1 3.44Å; V65-L74 HydrophobicContact CB-CD2 4.35Å; V65-L74 HydrophobicContact CG2-CD2 3.76Å; V65-L74 HydrophobicContact CG2-CG 3.9Å |
| 66 | S | 97.8 | Very high | 97.7 | Very high | 76 Ų | 76 | 48.1 Ų | 48.1 | 53% | 0.531 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61 | -25.9 | 179.2 | 80.6 | 0 | 0 | 0 | 0 | 113.9 | D62 R63 M64 | D62-S66 PolarHBondContact O-N 3.41Å; R63-S66 WeakPolarHBondContact CD-OG 3.33Å; R63-S66 PolarHBondContact NH1-OG 3.03Å; R63-S66 VanDerWaalsContact NH1-OG 3.16Å; R63-S66 WeakPolarHBondContact O-CB 3.42Å; R63-S66 PolarHBondContact O-N 3.32Å; R63-S66 VanDerWaalsContact O-N 3.1Å; R63-S66 PolarHBondContact O-OG 2.68Å; M64-S66 PolarHBondContact O-N 3.17Å |
| 67 | I | 97.3 | Very high | 97.7 | Very high | 74 Ų | 74 | 52.4 Ų | 52.4 | 38% | 0.379 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 4.1 | 177.6 | 64.8 | 170.8 | 0 | 0 | 0 | 113.2 | R63 M64 V65 Y69 D187 | R63-I67 PolarHBondContact O-N 3.18Å; M64-I67 WeakPolarHBondContact O-CG1 3.4Å; M64-I67 PolarHBondContact O-N 3.07Å; M64-I67 HydrophobicContact SD-CD1 4.2Å; V65-I67 PolarHBondContact O-N 2.85Å; I67-Y69 HydrophobicContact CD1-CD2 4.28Å; I67-Y69 HydrophobicContact CD1-CE2 4.23Å; I67-Y69 HydrophobicContact CG1-CD2 4.1Å; I67-D187 HydrophobicContact CD1-CB 4.39Å |
| 68 | G | 97.2 | Very high | 97.7 | Very high | 66 Ų | 66 | 53.3 Ų | 53.3 | 68% | 0.68 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 111.4 | 5.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | M64 V65 | M64-G68 PolarHBondContact O-N 3.23Å; V65-G68 PolarHBondContact O-N 2.92Å |
| 69 | Y | 98.3 | Very high | 97.7 | Very high | 15 Ų | 15 | 52 Ų | 52 | 6% | 0.059 | 27% | 0.274 | C | S | . | . | trans | -67.6 | 154.2 | 171.3 | -80.8 | -111.2 | 0 | 0 | 0 | 111.5 | M64 I67 H71 L155 F159 M179 M184 D187 | M64-Y69 HydrophobicContact CB-CD2 4.36Å; M64-Y69 HydrophobicContact CB-CG 4.23Å; M64-Y69 HydrophobicContact CE-CD1 3.98Å; M64-Y69 HydrophobicContact CE-CD2 3.73Å; M64-Y69 HydrophobicContact CE-CE1 3.64Å; M64-Y69 HydrophobicContact CE-CE2 3.38Å; M64-Y69 HydrophobicContact CE-CG 4.03Å; M64-Y69 VanDerWaalsContact O-CB 3.28Å; M64-Y69 WeakPolarHBondContact O-CB 3.22Å; M64-Y69 WeakPolarHBondContact O-CD2 3.39Å; M64-Y69 PolarHBondContact O-N 3.37Å; M64-Y69 VanDerWaalsContact O-N 3.07Å; I67-Y69 HydrophobicContact CD1-CD2 4.28Å; I67-Y69 HydrophobicContact CD1-CE2 4.23Å; I67-Y69 HydrophobicContact CG1-CD2 4.1Å; Y69-H71 PolarHBondContact O-N 2.77Å; Y69-L155 HydrophobicContact CD1-CD2 4Å; Y69-L155 HydrophobicContact CE1-CD1 4.43Å; Y69-L155 HydrophobicContact CE1-CD2 4.29Å; Y69-F159 HydrophobicContact CD1-CE2 4.15Å; Y69-F159 AromaticContact CD1-CZ 3.95Å; Y69-F159 HydrophobicContact CD1-CZ 3.95Å; Y69-F159 HydrophobicContact CE1-CE2 4.07Å; Y69-F159 HydrophobicContact CE1-CZ 4.12Å; Y69-M179 HydrophobicContact CE1-SD 4.02Å; Y69-M184 HydrophobicContact CE1-CG 4.21Å; Y69-M184 WeakPolarHBondContact OH-CA 3.32Å; Y69-D187 HydrophobicContact CE2-CB 3.99Å; Y69-D187 WeakPolarHBondContact CE2-OD2 3.26Å; Y69-D187 WeakPolarHBondContact OH-CB 3.23Å; Y69-D187 PolarHBondContact OH-OD2 2.87Å | ||
| 70 | P | 97.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 53.8 Ų | 53.8 | 13% | 0.13 | 29% | 0.287 | C | S | . | . | trans | -59.9 | 135.1 | -175.6 | -25.9 | 37.2 | 0 | 0 | 0 | 113.3 | E72 I73 F158 F159 Y165 | P70-E72 WeakPolarHBondContact CB-OE2 3.45Å; P70-E72 PolarHBondContact O-N 3.04Å; P70-E72 VanDerWaalsContact O-N 3.08Å; P70-I73 VanDerWaalsContact O-CG1 3.31Å; P70-I73 WeakPolarHBondContact O-CG1 3.36Å; P70-I73 PolarHBondContact O-N 2.98Å; P70-I73 VanDerWaalsContact O-N 3.12Å; P70-F158 HydrophobicContact CB-CE1 3.96Å; P70-F158 HydrophobicContact CB-CZ 3.87Å; P70-F158 HydrophobicContact CG-CE1 3.89Å; P70-F158 HydrophobicContact CG-CZ 4.29Å; P70-F159 HydrophobicContact CG-CE1 4.14Å; P70-F159 HydrophobicContact CG-CZ 4.28Å; P70-Y165 WeakPolarHBondContact CG-OH 3.4Å | ||
| 71 | H | 97.3 | Very high | 97.6 | Very high | 137 Ų | 137 | 56 Ų | 56 | 63% | 0.634 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -61.3 | -22.9 | -176.4 | -72 | 68.7 | 0 | 0 | 0 | 113 | Y69 I73 L74 | Y69-H71 PolarHBondContact O-N 2.77Å; H71-I73 PolarHBondContact O-N 3.44Å; H71-I73 VanDerWaalsContact O-N 3.09Å; H71-L74 VanDerWaalsContact O-CB 3.3Å; H71-L74 WeakPolarHBondContact O-CB 3.28Å; H71-L74 WeakPolarHBondContact O-CG 3.34Å; H71-L74 PolarHBondContact O-N 2.79Å |
| 72 | E | 96.9 | Very high | 97.6 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 32% | 0.318 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -59.9 | -19.6 | 177.5 | -60.8 | 93.8 | 140.8 | 0 | 0 | 112.8 | P70 L74 R75 F158 R164 | P70-E72 WeakPolarHBondContact CB-OE2 3.45Å; P70-E72 PolarHBondContact O-N 3.04Å; P70-E72 VanDerWaalsContact O-N 3.08Å; E72-L74 PolarHBondContact O-N 2.81Å; E72-R75 WeakPolarHBondContact O-CD 3.41Å; E72-R75 WeakPolarHBondContact O-CG 3.26Å; E72-R75 PolarHBondContact O-N 3.14Å; E72-R75 PolarHBondContact O-NE 2.98Å; E72-F158 HydrophobicContact CB-CE2 3.56Å; E72-F158 HydrophobicContact CB-CZ 3.97Å; E72-F158 HydrophobicContact CG-CE2 4.42Å; E72-R164 IonicContact OE1-CZ 2.65Å; E72-R164 VanDerWaalsContact OE1-CZ 3.25Å; E72-R164 IonicContact OE1-NH1 3.35Å; E72-R164 PolarHBondContact OE1-NH1 3.41Å; E72-R164 IonicContact OE1-NH2 2.74Å; E72-R164 PolarHBondContact OE1-NH2 3.04Å; E72-R164 IonicContact OE2-NH2 3.04Å |
| 73 | I | 96.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -70.4 | -17.9 | 175 | 75.9 | -176.8 | 0 | 0 | 0 | 112.9 | R61 M64 V65 P70 H71 R75 Y76 L155 F158 | R61-I73 WeakPolarHBondContact CD-O 3.39Å; R61-I73 HydrophobicContact CG-CG1 4.31Å; M64-I73 HydrophobicContact CB-CD1 3.88Å; V65-I73 HydrophobicContact CG2-CD1 3.62Å; V65-I73 HydrophobicContact CG2-CG1 3.44Å; V65-I73 VanDerWaalsContact CG2-CG1 3.44Å; P70-I73 VanDerWaalsContact O-CG1 3.31Å; P70-I73 WeakPolarHBondContact O-CG1 3.36Å; P70-I73 PolarHBondContact O-N 2.98Å; P70-I73 VanDerWaalsContact O-N 3.12Å; H71-I73 PolarHBondContact O-N 3.44Å; H71-I73 VanDerWaalsContact O-N 3.09Å; I73-R75 PolarHBondContact O-N 3Å; I73-R75 VanDerWaalsContact O-N 3.11Å; I73-Y76 HydrophobicContact CB-CD2 4.3Å; I73-Y76 WeakPolarHBondContact O-CD2 3.29Å; I73-Y76 PolarHBondContact O-N 3.02Å; I73-Y76 VanDerWaalsContact O-N 3.1Å; I73-L155 HydrophobicContact CD1-CD2 4.18Å; I73-L155 HydrophobicContact CG2-CD2 4.14Å; I73-F158 HydrophobicContact CG2-CD1 4.12Å; I73-F158 HydrophobicContact CG2-CD2 4.4Å; I73-F158 HydrophobicContact CG2-CE1 4.36Å; I73-F158 HydrophobicContact CG2-CG 4.14Å |
| 74 | L | 97.4 | Very high | 97.6 | Very high | 72 Ų | 72 | 49.1 Ų | 49.1 | 38% | 0.377 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -60.8 | -20.2 | 175.6 | -65.7 | 175.8 | 0 | 0 | 0 | 112.9 | R61 D62 V65 H71 E72 Y76 | R61-L74 HydrophobicContact CG-CD2 4.38Å; R61-L74 PolarHBondContact NH1-O 2.81Å; D62-L74 WeakPolarHBondContact OD1-CD2 3.36Å; V65-L74 HydrophobicContact CB-CD2 4.35Å; V65-L74 HydrophobicContact CG2-CD2 3.76Å; V65-L74 HydrophobicContact CG2-CG 3.9Å; H71-L74 VanDerWaalsContact O-CB 3.3Å; H71-L74 WeakPolarHBondContact O-CB 3.28Å; H71-L74 WeakPolarHBondContact O-CG 3.34Å; H71-L74 PolarHBondContact O-N 2.79Å; E72-L74 PolarHBondContact O-N 2.81Å; L74-Y76 PolarHBondContact O-N 2.91Å |
| 75 | R | 96.6 | Very high | 97.6 | Very high | 152 Ų | 152 | 49.4 Ų | 49.4 | 57% | 0.574 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -71.8 | -17 | 177.7 | 79.7 | -163.6 | 169.5 | -169.8 | -1.7 | 113.9 | E72 I73 | E72-R75 WeakPolarHBondContact O-CD 3.41Å; E72-R75 WeakPolarHBondContact O-CG 3.26Å; E72-R75 PolarHBondContact O-N 3.14Å; E72-R75 PolarHBondContact O-NE 2.98Å; I73-R75 PolarHBondContact O-N 3Å; I73-R75 VanDerWaalsContact O-N 3.11Å |
| 76 | Y | 97.8 | Very high | 97.4 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 8% | 0.082 | 28% | 0.277 | C | S | . | . | trans | -75.2 | 137.8 | 178.8 | -71.1 | -76.7 | 0 | 0 | 0 | 110.1 | F57 R61 I73 L74 F112 C154 D157 F158 R161 | F57-Y76 WeakPolarHBondContact CE1-O 3.34Å; R61-Y76 PolarHBondContact NH1-O 2.93Å; I73-Y76 HydrophobicContact CB-CD2 4.3Å; I73-Y76 WeakPolarHBondContact O-CD2 3.29Å; I73-Y76 PolarHBondContact O-N 3.02Å; I73-Y76 VanDerWaalsContact O-N 3.1Å; L74-Y76 PolarHBondContact O-N 2.91Å; Y76-F112 HydrophobicContact CE1-CE2 4.05Å; Y76-C154 HydrophobicContact CD1-CB 4Å; Y76-C154 HydrophobicContact CD2-CB 3.99Å; Y76-C154 HydrophobicContact CE1-CB 4.09Å; Y76-C154 HydrophobicContact CE2-CB 4.1Å; Y76-C154 HydrophobicContact CG-CB 3.95Å; Y76-D157 PolarHBondContact OH-OD2 2.97Å; Y76-F158 HydrophobicContact CE2-CB 4.1Å; Y76-F158 HydrophobicContact CE2-CD2 4.46Å; Y76-R161 PolarHBondContact OH-NH2 2.89Å | ||
| 77 | T | 97.8 | Very high | 97.4 | Very high | 96 Ų | 96 | 45.6 Ų | 45.6 | 59% | 0.589 | 25% | 0.252 | S | S | * | . | trans | -117.2 | 148.9 | 170.1 | 55.2 | 0 | 0 | 0 | 0 | 108.7 | D79 Y150 | T77-D79 PolarHBondContact O-N 2.76Å; T77-Y150 WeakPolarHBondContact O-CE1 3.43Å; T77-Y150 PolarHBondContact O-OH 3.19Å; T77-Y150 VanDerWaalsContact O-OH 3.06Å | ||
| 78 | Y | 98.5 | Very high | 97.4 | Very high | 20 Ų | 20 | 42 Ų | 42 | 8% | 0.078 | 23% | 0.234 | C | C | . | . | trans | -61.6 | 130.2 | -179.8 | -175 | -111 | 0 | 0 | 0 | 111.2 | P50 E53 F57 P80 P83 Y150 | P50-Y78 HydrophobicContact CB-CD1 4.43Å; P50-Y78 HydrophobicContact CB-CE1 4.27Å; E53-Y78 HydrophobicContact CB-CD1 4.14Å; E53-Y78 HydrophobicContact CB-CE1 3.44Å; E53-Y78 VanDerWaalsContact CB-CE1 3.44Å; E53-Y78 HydrophobicContact CB-CE2 4.21Å; E53-Y78 VanDerWaalsContact CB-CZ 3.49Å; E53-Y78 HydrophobicContact CG-CE1 4.39Å; F57-Y78 HydrophobicContact CB-CD2 3.81Å; F57-Y78 HydrophobicContact CB-CG 4.16Å; F57-Y78 HydrophobicContact CD2-CD2 4.11Å; F57-Y78 AromaticContact CG-CD2 3.95Å; F57-Y78 HydrophobicContact CG-CD2 3.95Å; F57-Y78 HydrophobicContact CG-CG 4.37Å; Y78-P80 HydrophobicContact CD1-CB 4.49Å; Y78-P80 HydrophobicContact CE1-CB 3.86Å; Y78-P83 HydrophobicContact CE2-CG 4.24Å; Y78-P83 WeakPolarHBondContact OH-CG 3.37Å; Y78-Y150 AromaticContact CD2-CD1 3.65Å; Y78-Y150 HydrophobicContact CD2-CD1 3.65Å; Y78-Y150 HydrophobicContact CD2-CE1 4.39Å; Y78-Y150 HydrophobicContact CD2-CG 4.13Å; Y78-Y150 HydrophobicContact CE2-CD1 4.22Å; Y78-Y150 HydrophobicContact CE2-CG 4.24Å | ||
| 79 | D | 98.2 | Very high | 97.5 | Very high | 53 Ų | 53 | 39 Ų | 39 | 28% | 0.283 | 20% | 0.201 | S | C | . | . | trans | -114.5 | 105.6 | 173.5 | 177.6 | 5.4 | 0 | 0 | 0 | 109.2 | T77 S81 F82 P83 Y150 Q421 | T77-D79 PolarHBondContact O-N 2.76Å; D79-S81 PolarHBondContact O-N 3.01Å; D79-S81 VanDerWaalsContact O-N 3.17Å; D79-S81 WeakPolarHBondContact OD1-CB 3.06Å; D79-S81 PolarHBondContact OD1-N 2.92Å; D79-S81 PolarHBondContact OD1-OG 3.25Å; D79-S81 PolarHBondContact OD2-OG 3.16Å; D79-F82 PolarHBondContact O-N 3.43Å; D79-P83 WeakPolarHBondContact O-CD 3.16Å; D79-Y150 HydrophobicContact CB-CE1 4.37Å; D79-Y150 HydrophobicContact CB-CE2 3.71Å; D79-Y150 WeakPolarHBondContact CB-OH 3.34Å; D79-Q421 PolarHBondContact OD2-NE2 2.86Å | ||
| 80 | P | 97.1 | Very high | 97.5 | Very high | 64 Ų | 64 | 38.2 Ų | 38.2 | 42% | 0.416 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -8.8 | -179.5 | 30 | -35.7 | 0 | 0 | 0 | 113.4 | P50 Y78 F82 | P50-P80 HydrophobicContact CB-CB 3.88Å; P50-P80 HydrophobicContact CB-CG 3.92Å; P50-P80 HydrophobicContact CG-CG 4.34Å; Y78-P80 HydrophobicContact CD1-CB 4.49Å; Y78-P80 HydrophobicContact CE1-CB 3.86Å; P80-F82 VanDerWaalsContact C-N 3.33Å |
| 81 | S | 96.9 | Very high | 97.5 | Very high | 47 Ų | 47 | 38.5 Ų | 38.5 | 33% | 0.329 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -19 | 178.1 | 79.5 | 0 | 0 | 0 | 0 | 113.2 | D79 G420 Q421 | D79-S81 PolarHBondContact O-N 3.01Å; D79-S81 VanDerWaalsContact O-N 3.17Å; D79-S81 WeakPolarHBondContact OD1-CB 3.06Å; D79-S81 PolarHBondContact OD1-N 2.92Å; D79-S81 PolarHBondContact OD1-OG 3.25Å; D79-S81 PolarHBondContact OD2-OG 3.16Å; S81-G420 CarbonylContact O-C 3.55Å; S81-G420 WeakPolarHBondContact O-CA 3.41Å; S81-Q421 PolarHBondContact O-N 2.89Å; S81-Q421 PolarHBondContact OG-NE2 3.47Å |
| 82 | F | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -84.4 | -61.1 | -176.2 | 178.9 | -89 | 0 | 0 | 0 | 114 | D79 P80 L96 F112 F114 Y150 A153 Q421 M422 | D79-F82 PolarHBondContact O-N 3.43Å; P80-F82 VanDerWaalsContact C-N 3.33Å; F82-L96 HydrophobicContact CE1-CD1 3.89Å; F82-L96 HydrophobicContact CZ-CD1 4.08Å; F82-F112 AromaticContact CD2-CD1 3.8Å; F82-F112 HydrophobicContact CD2-CD1 3.8Å; F82-F112 HydrophobicContact CD2-CE1 4.11Å; F82-F112 AromaticContact CE2-CD1 3.62Å; F82-F112 HydrophobicContact CE2-CD1 3.62Å; F82-F112 HydrophobicContact CE2-CE1 4.16Å; F82-F112 HydrophobicContact CG-CD1 4.44Å; F82-F112 HydrophobicContact CG-CE1 4.29Å; F82-F112 HydrophobicContact CZ-CD1 4.08Å; F82-F112 HydrophobicContact CZ-CE1 4.36Å; F82-F114 HydrophobicContact CD2-CZ 4.49Å; F82-F114 HydrophobicContact CE2-CE2 4.28Å; F82-F114 HydrophobicContact CE2-CZ 4.05Å; F82-Y150 HydrophobicContact CB-CD2 3.8Å; F82-Y150 HydrophobicContact CB-CE2 3.97Å; F82-Y150 AromaticContact CD1-CD2 3.73Å; F82-Y150 HydrophobicContact CD1-CD2 3.73Å; F82-Y150 HydrophobicContact CD1-CE2 4.48Å; F82-Y150 AromaticContact CG-CD2 3.97Å; F82-Y150 HydrophobicContact CG-CD2 3.97Å; F82-Y150 HydrophobicContact CG-CE2 4.31Å; F82-A153 HydrophobicContact CD1-CB 4.37Å; F82-A153 HydrophobicContact CE1-CB 3.5Å; F82-A153 VanDerWaalsContact CE1-CB 3.5Å; F82-A153 HydrophobicContact CZ-CB 3.64Å; F82-Q421 HydrophobicContact CD2-CB 4.23Å; F82-M422 HydrophobicContact CE1-CE 4.46Å; F82-M422 HydrophobicContact CZ-CE 4.2Å; F82-M422 WeakPolarHBondContact O-CB 3.25Å; F82-M422 WeakPolarHBondContact O-CG 3.4Å; F82-M422 PolarHBondContact O-N 3.44Å |
| 83 | P | 97.6 | Very high | 97.6 | Very high | 13 Ų | 13 | 30.7 Ų | 30.7 | 8% | 0.084 | 16% | 0.164 | C | C | . | . | trans | -76.8 | 136.5 | -169.8 | 32.6 | -35.3 | 0 | 0 | 0 | 111.7 | Y78 D79 L146 T149 | Y78-P83 HydrophobicContact CE2-CG 4.24Å; Y78-P83 WeakPolarHBondContact OH-CG 3.37Å; D79-P83 WeakPolarHBondContact O-CD 3.16Å; P83-L146 HydrophobicContact CB-CD2 4.04Å; P83-L146 HydrophobicContact CG-CB 4.42Å; P83-L146 HydrophobicContact CG-CD2 4.4Å; P83-T149 HydrophobicContact CB-CG2 4.03Å | ||
| 84 | T | 97.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 30.7 Ų | 30.7 | 11% | 0.11 | 16% | 0.164 | C | C | . | . | trans | -114.4 | 145.5 | 164.1 | -60.9 | 0 | 0 | 0 | 0 | 107.5 | I87 M422 G423 L425 | T84-I87 WeakPolarHBondContact O-CG1 3.2Å; T84-M422 WeakPolarHBondContact OG1-CB 3.33Å; T84-G423 WeakPolarHBondContact CG2-O 3.12Å; T84-G423 PolarHBondContact OG1-O 2.92Å; T84-L425 HydrophobicContact CG2-CB 4.15Å; T84-L425 HydrophobicContact CG2-CD1 4.45Å | ||
| 85 | R | 97.4 | Very high | 97.7 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 3% | 0.026 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 154.9 | 176.4 | -173.2 | 164.8 | 62.6 | 118.1 | -14.7 | 111.7 | N141 T142 L146 D336 E359 L425 | R85-N141 VanDerWaalsContact CD-O 3.26Å; R85-N141 WeakPolarHBondContact CD-O 3.36Å; R85-N141 WeakPolarHBondContact CG-O 3.44Å; R85-N141 PolarHBondContact NH1-O 2.81Å; R85-T142 VanDerWaalsContact CD-C 3.45Å; R85-L146 HydrophobicContact CB-CD2 4.31Å; R85-D336 PolarHBondContact NH1-O 3.02Å; R85-E359 WeakPolarHBondContact CB-OE1 3.44Å; R85-E359 IonicContact CZ-OE1 2.91Å; R85-E359 IonicContact CZ-OE2 2.73Å; R85-E359 IonicContact NE-OE1 3.83Å; R85-E359 PolarHBondContact NE-OE1 2.57Å; R85-E359 IonicContact NE-OE2 3.65Å; R85-E359 IonicContact NH2-OE1 2.99Å; R85-E359 PolarHBondContact NH2-OE1 3.16Å; R85-E359 IonicContact NH2-OE2 3.77Å; R85-E359 PolarHBondContact NH2-OE2 2.9Å; R85-L425 HydrophobicContact CB-CD1 3.99Å; R85-L425 WeakPolarHBondContact O-CD1 3.38Å |
| 86 | G | 95.2 | Very high | 97.8 | Very high | 12 Ų | 12 | 20 Ų | 20 | 12% | 0.124 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 15.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L140 | G86-L140 WeakPolarHBondContact CA-O 3.42Å; G86-L140 PolarHBondContact N-O 3.2Å |
| 87 | I | 97.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 143.5 | 175 | -65.7 | -67.9 | 0 | 0 | 0 | 110.1 | T84 L96 K98 L140 M422 | T84-I87 WeakPolarHBondContact O-CG1 3.2Å; I87-L96 HydrophobicContact CG2-CB 3.84Å; I87-L96 HydrophobicContact CG2-CD2 3.99Å; I87-L96 HydrophobicContact CG2-CG 4.42Å; I87-K98 HydrophobicContact CD1-CB 3.86Å; I87-K98 HydrophobicContact CD1-CG 4.22Å; I87-L140 WeakPolarHBondContact O-CB 3.4Å; I87-L140 PolarHBondContact O-N 3.48Å; I87-M422 HydrophobicContact CD1-CB 4.36Å; I87-M422 HydrophobicContact CD1-CE 3.99Å; I87-M422 HydrophobicContact CD1-CG 4.34Å; I87-M422 HydrophobicContact CD1-SD 4.07Å; I87-M422 HydrophobicContact CG1-CE 4.38Å; I87-M422 HydrophobicContact CG2-CE 4.25Å |
| 88 | V | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.6 | 176.2 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | L97 V99 I129 F137 Y138 M139 | V88-L97 HydrophobicContact CB-CB 4.27Å; V88-L97 PolarHBondContact N-O 2.95Å; V88-L97 WeakPolarHBondContact O-CB 3.3Å; V88-L97 PolarHBondContact O-N 3.17Å; V88-V99 HydrophobicContact CG2-CG2 3.78Å; V88-I129 HydrophobicContact CB-CD1 4.34Å; V88-I129 HydrophobicContact CG1-CD1 3.81Å; V88-F137 HydrophobicContact CG1-CB 3.74Å; V88-F137 HydrophobicContact CG1-CD1 3.98Å; V88-F137 HydrophobicContact CG1-CG 4.2Å; V88-Y138 CarbonylContact C-O 3.44Å; V88-Y138 WeakPolarHBondContact CA-O 3.23Å; V88-M139 HydrophobicContact CG2-CG 4.29Å |
| 89 | L | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 127.2 | 174.8 | -176.3 | 151.1 | 0 | 0 | 0 | 110.2 | K91 L96 F137 Y138 L140 Y152 F185 | L89-K91 HydrophobicContact CD2-CB 4.43Å; L89-K91 HydrophobicContact CD2-CG 3.65Å; L89-L96 HydrophobicContact CB-CD2 4.11Å; L89-L96 HydrophobicContact CD1-CD2 4.01Å; L89-L96 HydrophobicContact CG-CD2 4.17Å; L89-F137 WeakPolarHBondContact O-CA 3.4Å; L89-Y138 PolarHBondContact N-O 3.45Å; L89-Y138 PolarHBondContact O-N 2.94Å; L89-L140 HydrophobicContact CB-CD1 4.16Å; L89-Y152 HydrophobicContact CD1-CD1 3.43Å; L89-Y152 VanDerWaalsContact CD1-CD1 3.43Å; L89-Y152 HydrophobicContact CD1-CD2 3.88Å; L89-Y152 HydrophobicContact CD1-CE1 3.54Å; L89-Y152 HydrophobicContact CD1-CE2 3.99Å; L89-Y152 HydrophobicContact CD1-CG 3.58Å; L89-Y152 HydrophobicContact CD2-CE1 4.43Å; L89-Y152 HydrophobicContact CG-CD1 4.23Å; L89-Y152 HydrophobicContact CG-CE1 3.9Å; L89-F185 HydrophobicContact CD1-CD2 3.29Å; L89-F185 HydrophobicContact CD1-CE2 3.52Å; L89-F185 HydrophobicContact CD1-CG 4.01Å; L89-F185 HydrophobicContact CD1-CZ 4.37Å; L89-F185 HydrophobicContact CD2-CB 4.1Å; L89-F185 HydrophobicContact CD2-CD1 3.99Å; L89-F185 HydrophobicContact CD2-CD2 3.83Å; L89-F185 HydrophobicContact CD2-CE1 4.39Å; L89-F185 HydrophobicContact CD2-CE2 4.27Å; L89-F185 HydrophobicContact CD2-CG 3.67Å; L89-F185 HydrophobicContact CG-CD2 4.2Å; L89-F185 HydrophobicContact CG-CE2 4.42Å |
| 90 | D | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 104.3 | 171.1 | -174.1 | -14.5 | 0 | 0 | 0 | 110.4 | T92 L93 G94 N95 L97 Y124 R136 F137 | D90-T92 PolarHBondContact O-N 2.9Å; D90-T92 VanDerWaalsContact O-N 3.14Å; D90-T92 WeakPolarHBondContact OD1-CA 3.36Å; D90-T92 VanDerWaalsContact OD1-CB 3.27Å; D90-T92 WeakPolarHBondContact OD1-CB 3.15Å; D90-T92 PolarHBondContact OD1-N 2.86Å; D90-L93 PolarHBondContact O-N 2.91Å; D90-L93 PolarHBondContact OD1-N 3.1Å; D90-G94 PolarHBondContact O-N 2.86Å; D90-N95 PolarHBondContact N-O 2.96Å; D90-L97 HydrophobicContact CB-CD1 4.38Å; D90-Y124 WeakPolarHBondContact OD2-CE1 3.46Å; D90-Y124 PolarHBondContact OD2-OH 2.91Å; D90-R136 WeakPolarHBondContact OD1-CG 3.43Å; D90-R136 IonicContact OD1-CZ 3Å; D90-R136 IonicContact OD1-NE 3.69Å; D90-R136 PolarHBondContact OD1-NE 2.94Å; D90-R136 IonicContact OD1-NH2 3.27Å; D90-R136 IonicContact OD2-CZ 3.06Å; D90-R136 IonicContact OD2-NE 3.41Å; D90-R136 PolarHBondContact OD2-NE 3.02Å; D90-R136 IonicContact OD2-NH2 2.74Å; D90-R136 PolarHBondContact OD2-NH2 2.99Å; D90-F137 HydrophobicContact CB-CD1 4.09Å; D90-F137 HydrophobicContact CB-CE1 3.86Å |
| 91 | K | 98.3 | Very high | 97.8 | Very high | 26 Ų | 26 | 10.7 Ų | 10.7 | 11% | 0.113 | 7% | 0.067 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -15.5 | 179.2 | -67.9 | 176.9 | -86 | 179.7 | 0 | 113.1 | L89 T134 D135 R136 Y181 R182 F185 | L89-K91 HydrophobicContact CD2-CB 4.43Å; L89-K91 HydrophobicContact CD2-CG 3.65Å; K91-T134 PolarHBondContact NZ-O 2.96Å; K91-D135 WeakPolarHBondContact CE-O 3.29Å; K91-D135 VanDerWaalsContact NZ-C 3.29Å; K91-D135 PolarHBondContact NZ-O 2.86Å; K91-R136 VanDerWaalsContact CB-O 3.25Å; K91-R136 WeakPolarHBondContact CB-O 3.44Å; K91-R136 WeakPolarHBondContact CE-O 3.42Å; K91-R136 WeakPolarHBondContact CG-O 3.37Å; K91-R136 PolarHBondContact N-O 3.22Å; K91-Y181 CarbonylContact O-C 3.58Å; K91-Y181 WeakPolarHBondContact O-CB 3.23Å; K91-R182 HydrophobicContact CB-CB 4.1Å; K91-R182 HydrophobicContact CB-CG 4.29Å; K91-R182 WeakPolarHBondContact O-CA 3.44Å; K91-R182 WeakPolarHBondContact O-CB 3.33Å; K91-R182 PolarHBondContact O-N 3.01Å; K91-F185 HydrophobicContact CD-CD1 3.79Å; K91-F185 HydrophobicContact CD-CE1 4.21Å; K91-F185 HydrophobicContact CG-CD1 3.75Å; K91-F185 HydrophobicContact CG-CE1 4.39Å; K91-F185 HydrophobicContact CG-CG 4.38Å |
| 92 | T | 97.8 | Very high | 97.7 | Very high | 33 Ų | 33 | 13.7 Ų | 13.7 | 20% | 0.202 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -39.5 | -178.5 | -57.2 | 0 | 0 | 0 | 0 | 112.4 | D90 R136 K170 | D90-T92 PolarHBondContact O-N 2.9Å; D90-T92 VanDerWaalsContact O-N 3.14Å; D90-T92 WeakPolarHBondContact OD1-CA 3.36Å; D90-T92 VanDerWaalsContact OD1-CB 3.27Å; D90-T92 WeakPolarHBondContact OD1-CB 3.15Å; D90-T92 PolarHBondContact OD1-N 2.86Å; T92-R136 WeakPolarHBondContact OG1-CG 3.11Å; T92-K170 HydrophobicContact CG2-CD 4.36Å; T92-K170 HydrophobicContact CG2-CG 4.34Å; T92-K170 WeakPolarHBondContact O-CA 3.25Å |
| 93 | L | 97.9 | Very high | 97.6 | Very high | 7 Ų | 7 | 13.7 Ų | 13.7 | 4% | 0.037 | 8% | 0.079 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -3.9 | -171.4 | -61 | 176.9 | 0 | 0 | 0 | 113.9 | D90 N95 H110 Y123 Y124 R136 R169 Y181 | D90-L93 PolarHBondContact O-N 2.91Å; D90-L93 PolarHBondContact OD1-N 3.1Å; L93-N95 VanDerWaalsContact C-N 3.28Å; L93-N95 PolarHBondContact O-N 2.88Å; L93-H110 PolarHBondContact O-CE1 3.45Å; L93-Y123 HydrophobicContact CB-CD1 4.41Å; L93-Y123 HydrophobicContact CD1-CD1 4.04Å; L93-Y123 HydrophobicContact CD2-CD1 4.32Å; L93-Y123 HydrophobicContact CG-CD1 4.5Å; L93-Y124 HydrophobicContact CD1-CE1 3.88Å; L93-R136 VanDerWaalsContact CD1-NH2 3.32Å; L93-R169 HydrophobicContact CD2-CG 4.03Å; L93-Y181 WeakPolarHBondContact O-CE2 3.42Å |
| 94 | G | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.01 | 9% | 0.092 | C | C | . | . | trans | 75.5 | 16.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D90 Y181 | D90-G94 PolarHBondContact O-N 2.86Å; G94-Y181 VanDerWaalsContact CA-CD1 3.4Å; G94-Y181 VanDerWaalsContact N-CD2 3.33Å | ||
| 95 | N | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 145.7 | -175.5 | -63.9 | -40 | 0 | 0 | 0 | 111.5 | D90 L93 L97 S109 H110 Y124 | D90-N95 PolarHBondContact N-O 2.96Å; L93-N95 VanDerWaalsContact C-N 3.28Å; L93-N95 PolarHBondContact O-N 2.88Å; N95-L97 HydrophobicContact CB-CD2 4.05Å; N95-S109 CarbonylContact C-O 3.57Å; N95-S109 WeakPolarHBondContact CA-O 3.28Å; N95-H110 WeakPolarHBondContact OD1-CB 3.34Å; N95-H110 PolarHBondContact OD1-ND1 3.32Å; N95-Y124 VanDerWaalsContact CB-OH 3.31Å; N95-Y124 WeakPolarHBondContact CB-OH 3.49Å; N95-Y124 PolarHBondContact ND2-OH 3.14Å |
| 96 | L | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.1 | 166.7 | -65.9 | 177.9 | 0 | 0 | 0 | 109 | F82 I87 L89 C108 S109 L140 T149 Y152 A153 M422 | F82-L96 HydrophobicContact CE1-CD1 3.89Å; F82-L96 HydrophobicContact CZ-CD1 4.08Å; I87-L96 HydrophobicContact CG2-CB 3.84Å; I87-L96 HydrophobicContact CG2-CD2 3.99Å; I87-L96 HydrophobicContact CG2-CG 4.42Å; L89-L96 HydrophobicContact CB-CD2 4.11Å; L89-L96 HydrophobicContact CD1-CD2 4.01Å; L89-L96 HydrophobicContact CG-CD2 4.17Å; L96-C108 WeakPolarHBondContact O-CA 3.3Å; L96-S109 PolarHBondContact N-O 3.39Å; L96-S109 PolarHBondContact O-N 3Å; L96-L140 HydrophobicContact CD2-CD1 4.43Å; L96-T149 HydrophobicContact CD1-CG2 4.09Å; L96-Y152 HydrophobicContact CD2-CD1 4.12Å; L96-Y152 HydrophobicContact CG-CD1 4.48Å; L96-A153 HydrophobicContact CD1-CB 3.93Å; L96-M422 HydrophobicContact CB-CE 3.51Å; L96-M422 HydrophobicContact CD1-CE 4.05Å; L96-M422 HydrophobicContact CG-CE 4.45Å |
| 97 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 129.4 | -170.9 | -53.3 | 176.6 | 0 | 0 | 0 | 110.7 | V88 D90 N95 V99 I105 V107 C108 Y124 I129 F137 | V88-L97 HydrophobicContact CB-CB 4.27Å; V88-L97 PolarHBondContact N-O 2.95Å; V88-L97 WeakPolarHBondContact O-CB 3.3Å; V88-L97 PolarHBondContact O-N 3.17Å; D90-L97 HydrophobicContact CB-CD1 4.38Å; N95-L97 HydrophobicContact CB-CD2 4.05Å; L97-V99 HydrophobicContact CB-CG1 4.06Å; L97-I105 HydrophobicContact CD2-CD1 4.39Å; L97-I105 HydrophobicContact CD2-CG2 4.3Å; L97-V107 WeakPolarHBondContact CA-O 3.43Å; L97-C108 HydrophobicContact CD2-CB 3.83Å; L97-C108 WeakPolarHBondContact CD2-SG 3.42Å; L97-Y124 HydrophobicContact CD1-CE1 4.16Å; L97-Y124 HydrophobicContact CD2-CE2 3.88Å; L97-I129 HydrophobicContact CD1-CD1 4.06Å; L97-I129 HydrophobicContact CD1-CG2 3.8Å; L97-F137 HydrophobicContact CD1-CE1 4.22Å |
| 98 | K | 98.4 | Very high | 97.7 | Very high | 6 Ų | 6 | 18.7 Ų | 18.7 | 3% | 0.026 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127.1 | 161.9 | -166.2 | 176.6 | -176.5 | 179.1 | 0 | 107.8 | I87 L106 V107 M422 S424 R427 T433 | I87-K98 HydrophobicContact CD1-CB 3.86Å; I87-K98 HydrophobicContact CD1-CG 4.22Å; K98-L106 WeakPolarHBondContact O-CB 3.48Å; K98-L106 PolarHBondContact O-N 2.93Å; K98-V107 HydrophobicContact CB-CB 3.77Å; K98-V107 HydrophobicContact CB-CG2 4.21Å; K98-V107 HydrophobicContact CD-CB 4.4Å; K98-V107 HydrophobicContact CD-CG2 4.01Å; K98-V107 PolarHBondContact N-O 3.44Å; K98-V107 PolarHBondContact O-N 3.28Å; K98-M422 WeakPolarHBondContact CD-O 3.4Å; K98-M422 PolarHBondContact NZ-O 2.92Å; K98-S424 WeakPolarHBondContact CE-O 3.26Å; K98-S424 PolarHBondContact NZ-O 3.49Å; K98-R427 PolarHBondContact NZ-O 3.43Å; K98-T433 HydrophobicContact CD-CG2 4.29Å; K98-T433 HydrophobicContact CG-CG2 4.1Å |
| 99 | V | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 156.6 | -173.1 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | V88 L97 N104 I105 I129 T433 L434 | V88-V99 HydrophobicContact CG2-CG2 3.78Å; L97-V99 HydrophobicContact CB-CG1 4.06Å; V99-N104 CarbonylContact C-O 3.59Å; V99-N104 WeakPolarHBondContact CA-O 3.29Å; V99-N104 WeakPolarHBondContact CB-O 3.27Å; V99-I105 HydrophobicContact CG1-CG1 4.42Å; V99-I129 HydrophobicContact CG1-CD1 3.79Å; V99-I129 HydrophobicContact CG1-CG1 4.1Å; V99-T433 CarbonylContact O-C 3.46Å; V99-T433 WeakPolarHBondContact O-CA 3.44Å; V99-L434 HydrophobicContact CG2-CB 4.16Å; V99-L434 HydrophobicContact CG2-CD2 4.22Å; V99-L434 PolarHBondContact O-N 3.04Å |
| 100 | D | 97.6 | Very high | 97.7 | Very high | 14 Ų | 14 | 19.8 Ų | 19.8 | 8% | 0.075 | 11% | 0.108 | C | C | . | . | trans | -82.4 | -176.7 | 169.6 | 76.6 | 5.2 | 0 | 0 | 0 | 112.3 | N102 G103 N104 L106 T431 Q432 | D100-N102 PolarHBondContact O-N 3.2Å; D100-N102 WeakPolarHBondContact OD1-CA 3.46Å; D100-N102 WeakPolarHBondContact OD1-CB 3.3Å; D100-N102 PolarHBondContact OD1-N 2.7Å; D100-G103 PolarHBondContact O-N 2.99Å; D100-G103 PolarHBondContact OD1-N 3.18Å; D100-N104 PolarHBondContact N-O 3.32Å; D100-N104 PolarHBondContact OD1-N 3.26Å; D100-N104 WeakPolarHBondContact OD2-CB 3.35Å; D100-N104 PolarHBondContact OD2-ND2 2.98Å; D100-L106 HydrophobicContact CB-CD1 4.33Å; D100-L106 HydrophobicContact CB-CD2 4.32Å; D100-T431 HydrophobicContact CB-CG2 4.08Å; D100-Q432 WeakPolarHBondContact CB-O 3.46Å | ||
| 101 | S | 95.4 | Very high | 97.7 | Very high | 34 Ų | 34 | 19.8 Ų | 19.8 | 24% | 0.238 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -24.1 | 179.7 | 58.7 | 0 | 0 | 0 | 0 | 114.6 | R131 S437 | S101-R131 PolarHBondContact O-NE 3.39Å; S101-R131 PolarHBondContact O-NH2 2.69Å; S101-R131 VanDerWaalsContact O-NH2 3.13Å; S101-S437 WeakPolarHBondContact CB-OG 3.49Å |
| 102 | N | 95.4 | Very high | 97.7 | Very high | 110 Ų | 110 | 21.3 Ų | 21.3 | 59% | 0.588 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -17.3 | 179.8 | -63.8 | -38.6 | 0 | 0 | 0 | 111.7 | D100 F128 | D100-N102 PolarHBondContact O-N 3.2Å; D100-N102 WeakPolarHBondContact OD1-CA 3.46Å; D100-N102 WeakPolarHBondContact OD1-CB 3.3Å; D100-N102 PolarHBondContact OD1-N 2.7Å; N102-F128 WeakPolarHBondContact O-CE2 3.44Å |
| 103 | G | 96.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | 98.4 | 11.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D100 F128 I129 | D100-G103 PolarHBondContact O-N 2.99Å; D100-G103 PolarHBondContact OD1-N 3.18Å; G103-F128 CarbonylContact O-C 3.6Å; G103-F128 WeakPolarHBondContact O-CA 3.34Å; G103-I129 PolarHBondContact O-N 2.78Å | ||
| 104 | N | 97.7 | Very high | 97.6 | Very high | 64 Ų | 64 | 30 Ų | 30 | 34% | 0.342 | 15% | 0.146 | S | C | . | . | B | Isolated β-bridge | trans | -71.3 | 139 | 172.1 | -55.8 | -49.9 | 0 | 0 | 0 | 109.8 | V99 D100 K127 | V99-N104 CarbonylContact C-O 3.59Å; V99-N104 WeakPolarHBondContact CA-O 3.29Å; V99-N104 WeakPolarHBondContact CB-O 3.27Å; D100-N104 PolarHBondContact N-O 3.32Å; D100-N104 PolarHBondContact OD1-N 3.26Å; D100-N104 WeakPolarHBondContact OD2-CB 3.35Å; D100-N104 PolarHBondContact OD2-ND2 2.98Å; N104-K127 WeakPolarHBondContact CA-O 3.35Å |
| 105 | I | 98 | Very high | 97.5 | Very high | 22 Ų | 22 | 30.9 Ų | 30.9 | 11% | 0.113 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 119.9 | -177.7 | -60 | 171.5 | 0 | 0 | 0 | 109.1 | L97 V99 C108 V120 Y124 K127 I129 | L97-I105 HydrophobicContact CD2-CD1 4.39Å; L97-I105 HydrophobicContact CD2-CG2 4.3Å; V99-I105 HydrophobicContact CG1-CG1 4.42Å; I105-C108 HydrophobicContact CG2-CB 4Å; I105-V120 HydrophobicContact CB-CG1 4.45Å; I105-V120 HydrophobicContact CD1-CG1 4.1Å; I105-V120 HydrophobicContact CG2-CG1 4.16Å; I105-Y124 HydrophobicContact CD1-CD1 3.86Å; I105-Y124 HydrophobicContact CD1-CD2 3.38Å; I105-Y124 HydrophobicContact CD1-CE1 4.35Å; I105-Y124 HydrophobicContact CD1-CE2 3.9Å; I105-Y124 HydrophobicContact CD1-CG 3.35Å; I105-K127 PolarHBondContact N-O 2.91Å; I105-I129 HydrophobicContact CD1-CG2 4.17Å; I105-I129 HydrophobicContact CG1-CG2 4.37Å |
| 106 | L | 97.1 | Very high | 97.3 | Very high | 43 Ų | 43 | 40.3 Ų | 40.3 | 23% | 0.225 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -44.7 | 176.2 | -53.1 | -179.3 | 0 | 0 | 0 | 111.1 | K98 D100 T431 T433 | K98-L106 WeakPolarHBondContact O-CB 3.48Å; K98-L106 PolarHBondContact O-N 2.93Å; D100-L106 HydrophobicContact CB-CD1 4.33Å; D100-L106 HydrophobicContact CB-CD2 4.32Å; L106-T431 HydrophobicContact CD1-CG2 4.29Å; L106-T431 HydrophobicContact CD2-CG2 3.63Å; L106-T433 HydrophobicContact CD1-CG2 4.35Å |
| 107 | V | 97.4 | Very high | 96.8 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 15% | 0.152 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 139.3 | 178.3 | -176.2 | 0 | 0 | 0 | 0 | 108.4 | L97 K98 F114 M422 | L97-V107 WeakPolarHBondContact CA-O 3.43Å; K98-V107 HydrophobicContact CB-CB 3.77Å; K98-V107 HydrophobicContact CB-CG2 4.21Å; K98-V107 HydrophobicContact CD-CB 4.4Å; K98-V107 HydrophobicContact CD-CG2 4.01Å; K98-V107 PolarHBondContact N-O 3.44Å; K98-V107 PolarHBondContact O-N 3.28Å; V107-F114 HydrophobicContact CG1-CD1 3.7Å; V107-F114 HydrophobicContact CG1-CE1 3.76Å; V107-M422 HydrophobicContact CG1-SD 4.1Å |
| 108 | C | 98.1 | Very high | 96.4 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.02 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 126.6 | 175.1 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | L96 L97 I105 L115 V120 | L96-C108 WeakPolarHBondContact O-CA 3.3Å; L97-C108 HydrophobicContact CD2-CB 3.83Å; L97-C108 WeakPolarHBondContact CD2-SG 3.42Å; I105-C108 HydrophobicContact CG2-CB 4Å; C108-L115 HydrophobicContact CB-CB 4.31Å; C108-L115 PolarHBondContact O-N 3.38Å; C108-V120 HydrophobicContact CB-CG2 3.68Å |
| 109 | S | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 136.6 | 173.7 | -166.7 | 0 | 0 | 0 | 0 | 111.3 | N95 L96 G111 R113 | N95-S109 CarbonylContact C-O 3.57Å; N95-S109 WeakPolarHBondContact CA-O 3.28Å; L96-S109 PolarHBondContact N-O 3.39Å; L96-S109 PolarHBondContact O-N 3Å; S109-G111 PolarHBondContact OG-O 2.77Å; S109-R113 WeakPolarHBondContact CA-O 3.35Å; S109-R113 PolarHBondContact OG-O 2.96Å |
| 110 | H | 98.1 | Very high | 96 | Very high | 23 Ų | 23 | 55 Ų | 55 | 11% | 0.106 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 100.9 | 168.4 | -165.7 | 83.1 | 0 | 0 | 0 | 108.7 | L93 N95 F112 R113 L115 V156 Y181 | L93-H110 PolarHBondContact O-CE1 3.45Å; N95-H110 WeakPolarHBondContact OD1-CB 3.34Å; N95-H110 PolarHBondContact OD1-ND1 3.32Å; H110-F112 PolarHBondContact O-N 3Å; H110-R113 PolarHBondContact N-O 3.45Å; H110-R113 PolarHBondContact O-N 3.5Å; H110-L115 HydrophobicContact CB-CD2 4.22Å; H110-L115 HydrophobicContact CB-CG 4.5Å; H110-V156 WeakPolarHBondContact NE2-CG1 3.47Å; H110-Y181 AromaticContact CE1-CZ 3.6Å; H110-Y181 PolarHBondContact CE1-OH 3Å; H110-Y181 PolarHBondContact NE2-OH 3.13Å |
| 111 | G | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | -123.4 | -163.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | S109 A153 V156 | S109-G111 PolarHBondContact OG-O 2.77Å; G111-A153 WeakPolarHBondContact CA-O 3.36Å; G111-V156 VanDerWaalsContact N-CG1 3.29Å |
| 112 | F | 97.9 | Very high | 95.6 | Very high | 57 Ų | 57 | 64.6 Ų | 64.6 | 25% | 0.25 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 2.3 | 173.7 | -57.6 | -50.9 | 0 | 0 | 0 | 114.2 | Y76 F82 H110 F114 Y150 A153 C154 D157 | Y76-F112 HydrophobicContact CE1-CE2 4.05Å; F82-F112 AromaticContact CD2-CD1 3.8Å; F82-F112 HydrophobicContact CD2-CD1 3.8Å; F82-F112 HydrophobicContact CD2-CE1 4.11Å; F82-F112 AromaticContact CE2-CD1 3.62Å; F82-F112 HydrophobicContact CE2-CD1 3.62Å; F82-F112 HydrophobicContact CE2-CE1 4.16Å; F82-F112 HydrophobicContact CG-CD1 4.44Å; F82-F112 HydrophobicContact CG-CE1 4.29Å; F82-F112 HydrophobicContact CZ-CD1 4.08Å; F82-F112 HydrophobicContact CZ-CE1 4.36Å; H110-F112 PolarHBondContact O-N 3Å; F112-F114 PolarHBondContact O-N 2.69Å; F112-Y150 HydrophobicContact CE1-CD2 4.11Å; F112-Y150 AromaticContact CE1-CE2 3.64Å; F112-Y150 HydrophobicContact CE1-CE2 3.64Å; F112-Y150 HydrophobicContact CZ-CD2 4.46Å; F112-Y150 AromaticContact CZ-CE2 3.77Å; F112-Y150 HydrophobicContact CZ-CE2 3.77Å; F112-A153 HydrophobicContact CD1-CB 4.17Å; F112-A153 HydrophobicContact CE1-CB 3.74Å; F112-A153 HydrophobicContact CZ-CB 4.4Å; F112-C154 HydrophobicContact CZ-CB 4.36Å; F112-C154 VanDerWaalsContact CZ-SG 3.59Å; F112-D157 HydrophobicContact CD2-CB 3.61Å; F112-D157 WeakPolarHBondContact CD2-OD2 3.21Å; F112-D157 HydrophobicContact CE2-CB 3.95Å; F112-D157 HydrophobicContact CG-CB 4.3Å |
| 113 | R | 97.6 | Very high | 95.5 | Very high | 151 Ų | 151 | 62.2 Ų | 62.2 | 57% | 0.57 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 107.7 | 175.3 | -178.1 | -176.6 | 164.6 | -176.6 | -7.2 | 110 | S109 H110 L115 D119 | S109-R113 WeakPolarHBondContact CA-O 3.35Å; S109-R113 PolarHBondContact OG-O 2.96Å; H110-R113 PolarHBondContact N-O 3.45Å; H110-R113 PolarHBondContact O-N 3.5Å; R113-L115 HydrophobicContact CG-CD2 4.29Å; R113-L115 PolarHBondContact O-N 3.06Å; R113-D119 IonicContact CZ-OD2 3.73Å; R113-D119 IonicContact NH2-OD1 2.87Å; R113-D119 IonicContact NH2-OD2 2.69Å; R113-D119 PolarHBondContact NH2-OD2 3.33Å |
| 114 | F | 97.4 | Very high | 95.5 | Very high | 71 Ų | 71 | 62.7 Ų | 62.7 | 31% | 0.311 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 124.8 | 166.8 | -69.1 | -90.4 | 0 | 0 | 0 | 110.3 | F82 V107 F112 Q421 M422 | F82-F114 HydrophobicContact CD2-CZ 4.49Å; F82-F114 HydrophobicContact CE2-CE2 4.28Å; F82-F114 HydrophobicContact CE2-CZ 4.05Å; V107-F114 HydrophobicContact CG1-CD1 3.7Å; V107-F114 HydrophobicContact CG1-CE1 3.76Å; F112-F114 PolarHBondContact O-N 2.69Å; F114-Q421 VanDerWaalsContact CE1-O 3.3Å; F114-Q421 WeakPolarHBondContact CE1-O 3.38Å; F114-Q421 HydrophobicContact CE2-CB 4.07Å; F114-Q421 HydrophobicContact CZ-CB 3.73Å; F114-Q421 VanDerWaalsContact CZ-O 3.27Å; F114-Q421 WeakPolarHBondContact CZ-O 3.43Å; F114-M422 HydrophobicContact CE1-SD 3.84Å; F114-M422 HydrophobicContact CZ-SD 4.33Å |
| 115 | L | 96.4 | Very high | 95.2 | Very high | 21 Ų | 21 | 70 Ų | 70 | 11% | 0.11 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -83 | 137.1 | -177.8 | -60.7 | -168 | 0 | 0 | 0 | 110.3 | C108 H110 R113 D119 V120 Y123 | C108-L115 HydrophobicContact CB-CB 4.31Å; C108-L115 PolarHBondContact O-N 3.38Å; H110-L115 HydrophobicContact CB-CD2 4.22Å; H110-L115 HydrophobicContact CB-CG 4.5Å; R113-L115 HydrophobicContact CG-CD2 4.29Å; R113-L115 PolarHBondContact O-N 3.06Å; L115-D119 HydrophobicContact CB-CB 3.88Å; L115-D119 HydrophobicContact CD1-CB 4.43Å; L115-D119 HydrophobicContact CD2-CB 4.23Å; L115-D119 HydrophobicContact CG-CB 4.41Å; L115-V120 HydrophobicContact CB-CG2 3.79Å; L115-Y123 HydrophobicContact CD1-CD2 3.55Å; L115-Y123 HydrophobicContact CD1-CE2 3.63Å |
| 116 | R | 93.3 | Very high | 94.9 | Very high | 198 Ų | 198 | 75.1 Ų | 75.1 | 75% | 0.747 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 167.3 | 172.2 | -57.5 | -176 | -157.3 | 171.2 | 6.2 | 110 | E118 D119 V120 | R116-E118 VanDerWaalsContact C-N 3.28Å; R116-E118 PolarHBondContact O-N 3.33Å; R116-D119 WeakPolarHBondContact O-CB 3.14Å; R116-D119 PolarHBondContact O-N 3.26Å; R116-V120 WeakPolarHBondContact O-CG2 3.25Å; R116-V120 PolarHBondContact O-N 3.16Å |
| 117 | E | 88.8 | Confident | 94.8 | Very high | 94 Ų | 94 | 75.7 Ų | 75.7 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -52.5 | -43 | -177.9 | -171.2 | 171.6 | 178.9 | 0 | 0 | 113.9 | V120 E121 K127 K409 | E117-V120 PolarHBondContact O-N 2.76Å; E117-E121 PolarHBondContact O-N 2.97Å; E117-K127 HydrophobicContact CG-CD 4.34Å; E117-K127 VanDerWaalsContact CG-CE 3.45Å; E117-K127 IonicContact OE1-NZ 3.29Å; E117-K127 PolarHBondContact OE1-NZ 3.25Å; E117-K409 IonicContact OE2-NZ 3.33Å; E117-K409 PolarHBondContact OE2-NZ 3.43Å |
| 118 | E | 90.4 | Very high | 94.8 | Very high | 164 Ų | 164 | 78.6 Ų | 78.6 | 77% | 0.766 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.7 | -42.3 | 176.7 | -63.5 | 167.2 | -161.7 | 0 | 0 | 112.3 | R116 V120 E121 Y122 | R116-E118 VanDerWaalsContact C-N 3.28Å; R116-E118 PolarHBondContact O-N 3.33Å; E118-V120 VanDerWaalsContact C-N 3.35Å; E118-E121 PolarHBondContact O-N 3.07Å; E118-Y122 PolarHBondContact O-N 3.38Å; E118-Y122 VanDerWaalsContact O-N 3.15Å |
| 119 | D | 93.3 | Very high | 94.7 | Very high | 47 Ų | 47 | 78.6 Ų | 78.6 | 25% | 0.251 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.7 | -41.2 | 175.9 | -70.3 | -36.4 | 0 | 0 | 0 | 110.4 | R113 L115 R116 E121 Y122 Y123 | R113-D119 IonicContact CZ-OD2 3.73Å; R113-D119 IonicContact NH2-OD1 2.87Å; R113-D119 IonicContact NH2-OD2 2.69Å; R113-D119 PolarHBondContact NH2-OD2 3.33Å; L115-D119 HydrophobicContact CB-CB 3.88Å; L115-D119 HydrophobicContact CD1-CB 4.43Å; L115-D119 HydrophobicContact CD2-CB 4.23Å; L115-D119 HydrophobicContact CG-CB 4.41Å; R116-D119 WeakPolarHBondContact O-CB 3.14Å; R116-D119 PolarHBondContact O-N 3.26Å; D119-E121 VanDerWaalsContact C-N 3.34Å; D119-E121 PolarHBondContact O-N 2.91Å; D119-Y122 WeakPolarHBondContact O-CB 3.47Å; D119-Y122 PolarHBondContact O-N 3.35Å; D119-Y123 WeakPolarHBondContact O-CD2 3.34Å; D119-Y123 PolarHBondContact O-N 2.77Å |
| 120 | V | 94.2 | Very high | 94.6 | Very high | 12 Ų | 12 | 85.1 Ų | 85.1 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 177.3 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | I105 C108 L115 R116 E117 E118 Y122 Y123 Y124 K127 | I105-V120 HydrophobicContact CB-CG1 4.45Å; I105-V120 HydrophobicContact CD1-CG1 4.1Å; I105-V120 HydrophobicContact CG2-CG1 4.16Å; C108-V120 HydrophobicContact CB-CG2 3.68Å; L115-V120 HydrophobicContact CB-CG2 3.79Å; R116-V120 WeakPolarHBondContact O-CG2 3.25Å; R116-V120 PolarHBondContact O-N 3.16Å; E117-V120 PolarHBondContact O-N 2.76Å; E118-V120 VanDerWaalsContact C-N 3.35Å; V120-Y122 VanDerWaalsContact C-N 3.28Å; V120-Y122 PolarHBondContact O-N 2.75Å; V120-Y123 PolarHBondContact O-N 3.08Å; V120-Y123 VanDerWaalsContact O-N 3.14Å; V120-Y124 HydrophobicContact CG1-CD2 4.04Å; V120-Y124 WeakPolarHBondContact O-CA 3.38Å; V120-Y124 WeakPolarHBondContact O-CD2 3.17Å; V120-Y124 PolarHBondContact O-N 3.28Å; V120-K127 HydrophobicContact CG1-CG 4.19Å |
| 121 | E | 92.9 | Very high | 94.2 | Very high | 97 Ų | 97 | 87.3 Ų | 87.3 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.6 | -33.5 | 179.6 | -162.8 | 164.3 | 159.4 | 0 | 0 | 112.5 | E117 E118 D119 Y124 R125 K127 | E117-E121 PolarHBondContact O-N 2.97Å; E118-E121 PolarHBondContact O-N 3.07Å; D119-E121 VanDerWaalsContact C-N 3.34Å; D119-E121 PolarHBondContact O-N 2.91Å; E121-Y124 CarbonylContact O-C 3.58Å; E121-R125 WeakPolarHBondContact O-CA 3.45Å; E121-R125 PolarHBondContact O-N 3.3Å; E121-K127 VanDerWaalsContact OE2-CE 3.32Å; E121-K127 WeakPolarHBondContact OE2-CE 3.29Å; E121-K127 IonicContact OE2-NZ 2.74Å; E121-K127 PolarHBondContact OE2-NZ 2.88Å |
| 122 | Y | 92.1 | Very high | 94 | Very high | 154 Ų | 154 | 93.3 Ų | 93.3 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -61.7 | -41.8 | 171.6 | 174.3 | -97.8 | 0 | 0 | 0 | 112.8 | E118 D119 V120 | E118-Y122 PolarHBondContact O-N 3.38Å; E118-Y122 VanDerWaalsContact O-N 3.15Å; D119-Y122 WeakPolarHBondContact O-CB 3.47Å; D119-Y122 PolarHBondContact O-N 3.35Å; V120-Y122 VanDerWaalsContact C-N 3.28Å; V120-Y122 PolarHBondContact O-N 2.75Å |
| 123 | Y | 92.8 | Very high | 93.9 | Very high | 59 Ų | 59 | 93.3 Ų | 93.3 | 23% | 0.231 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -79 | -36.8 | 176.9 | -74 | -73.8 | 0 | 0 | 0 | 112.9 | L93 L115 D119 V120 | L93-Y123 HydrophobicContact CB-CD1 4.41Å; L93-Y123 HydrophobicContact CD1-CD1 4.04Å; L93-Y123 HydrophobicContact CD2-CD1 4.32Å; L93-Y123 HydrophobicContact CG-CD1 4.5Å; L115-Y123 HydrophobicContact CD1-CD2 3.55Å; L115-Y123 HydrophobicContact CD1-CE2 3.63Å; D119-Y123 WeakPolarHBondContact O-CD2 3.34Å; D119-Y123 PolarHBondContact O-N 2.77Å; V120-Y123 PolarHBondContact O-N 3.08Å; V120-Y123 VanDerWaalsContact O-N 3.14Å |
| 124 | Y | 96.3 | Very high | 93.7 | Very high | 11 Ų | 11 | 91.1 Ų | 91.1 | 4% | 0.043 | 42% | 0.415 | C | S | . | . | trans | -136 | 88.4 | -171 | -49.9 | -81.8 | 0 | 0 | 0 | 109.4 | D90 L93 N95 L97 I105 V120 E121 N126 K127 I129 | D90-Y124 WeakPolarHBondContact OD2-CE1 3.46Å; D90-Y124 PolarHBondContact OD2-OH 2.91Å; L93-Y124 HydrophobicContact CD1-CE1 3.88Å; N95-Y124 VanDerWaalsContact CB-OH 3.31Å; N95-Y124 WeakPolarHBondContact CB-OH 3.49Å; N95-Y124 PolarHBondContact ND2-OH 3.14Å; L97-Y124 HydrophobicContact CD1-CE1 4.16Å; L97-Y124 HydrophobicContact CD2-CE2 3.88Å; I105-Y124 HydrophobicContact CD1-CD1 3.86Å; I105-Y124 HydrophobicContact CD1-CD2 3.38Å; I105-Y124 HydrophobicContact CD1-CE1 4.35Å; I105-Y124 HydrophobicContact CD1-CE2 3.9Å; I105-Y124 HydrophobicContact CD1-CG 3.35Å; V120-Y124 HydrophobicContact CG1-CD2 4.04Å; V120-Y124 WeakPolarHBondContact O-CA 3.38Å; V120-Y124 WeakPolarHBondContact O-CD2 3.17Å; V120-Y124 PolarHBondContact O-N 3.28Å; E121-Y124 CarbonylContact O-C 3.58Å; Y124-N126 PolarHBondContact O-N 3.1Å; Y124-K127 WeakPolarHBondContact O-CA 3.29Å; Y124-K127 PolarHBondContact O-N 2.88Å; Y124-I129 HydrophobicContact CD1-CG2 4Å; Y124-I129 HydrophobicContact CE1-CG2 4.03Å | ||
| 125 | R | 90.4 | Very high | 93.6 | Very high | 217 Ų | 217 | 92.4 Ų | 92.4 | 82% | 0.819 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -33.3 | -172.8 | -169.6 | 173.1 | -176.6 | 172.6 | 0.9 | 115.1 | E121 | E121-R125 WeakPolarHBondContact O-CA 3.45Å; E121-R125 PolarHBondContact O-N 3.3Å |
| 126 | N | 92.6 | Very high | 93.6 | Very high | 130 Ų | 130 | 94.4 Ų | 94.4 | 70% | 0.695 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | 13.7 | 178.9 | -69.2 | 3.1 | 0 | 0 | 0 | 113.2 | Y124 F128 | Y124-N126 PolarHBondContact O-N 3.1Å; N126-F128 HydrophobicContact CB-CB 4.15Å; N126-F128 WeakPolarHBondContact O-CB 3.29Å; N126-F128 PolarHBondContact O-N 3.36Å |
| 127 | K | 95.1 | Very high | 93.9 | Very high | 55 Ų | 55 | 85.4 Ų | 85.4 | 24% | 0.239 | 40% | 0.397 | C | S | . | . | S | Bend | trans | 48.3 | 36.5 | -173.5 | -62.2 | 172.2 | -176.7 | 151.7 | 0 | 112.4 | N104 I105 E117 V120 E121 Y124 | N104-K127 WeakPolarHBondContact CA-O 3.35Å; I105-K127 PolarHBondContact N-O 2.91Å; E117-K127 HydrophobicContact CG-CD 4.34Å; E117-K127 VanDerWaalsContact CG-CE 3.45Å; E117-K127 IonicContact OE1-NZ 3.29Å; E117-K127 PolarHBondContact OE1-NZ 3.25Å; V120-K127 HydrophobicContact CG1-CG 4.19Å; E121-K127 VanDerWaalsContact OE2-CE 3.32Å; E121-K127 WeakPolarHBondContact OE2-CE 3.29Å; E121-K127 IonicContact OE2-NZ 2.74Å; E121-K127 PolarHBondContact OE2-NZ 2.88Å; Y124-K127 WeakPolarHBondContact O-CA 3.29Å; Y124-K127 PolarHBondContact O-N 2.88Å |
| 128 | F | 97.1 | Very high | 94.3 | Very high | 85 Ų | 85 | 84.5 Ų | 84.5 | 37% | 0.373 | 39% | 0.39 | S | S | . | . | B | Isolated β-bridge | trans | -140.8 | 146.6 | -167.2 | 168 | -89.7 | 0 | 0 | 0 | 110.9 | N102 G103 N126 Q130 | N102-F128 WeakPolarHBondContact O-CE2 3.44Å; G103-F128 CarbonylContact O-C 3.6Å; G103-F128 WeakPolarHBondContact O-CA 3.34Å; N126-F128 HydrophobicContact CB-CB 4.15Å; N126-F128 WeakPolarHBondContact O-CB 3.29Å; N126-F128 PolarHBondContact O-N 3.36Å; F128-Q130 HydrophobicContact CE1-CG 3.67Å; F128-Q130 HydrophobicContact CZ-CG 4.27Å |
| 129 | I | 97.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 78.8 Ų | 78.8 | 2% | 0.021 | 36% | 0.364 | C | S | . | . | trans | -126.1 | 145.2 | 171.4 | 64.8 | 167 | 0 | 0 | 0 | 112.2 | V88 L97 V99 G103 I105 Y124 R131 F137 | V88-I129 HydrophobicContact CB-CD1 4.34Å; V88-I129 HydrophobicContact CG1-CD1 3.81Å; L97-I129 HydrophobicContact CD1-CD1 4.06Å; L97-I129 HydrophobicContact CD1-CG2 3.8Å; V99-I129 HydrophobicContact CG1-CD1 3.79Å; V99-I129 HydrophobicContact CG1-CG1 4.1Å; G103-I129 PolarHBondContact O-N 2.78Å; I105-I129 HydrophobicContact CD1-CG2 4.17Å; I105-I129 HydrophobicContact CG1-CG2 4.37Å; Y124-I129 HydrophobicContact CD1-CG2 4Å; Y124-I129 HydrophobicContact CE1-CG2 4.03Å; I129-R131 PolarHBondContact O-N 2.97Å; I129-R131 VanDerWaalsContact O-N 3.12Å; I129-F137 HydrophobicContact CB-CE1 3.96Å; I129-F137 HydrophobicContact CB-CE2 3.95Å; I129-F137 HydrophobicContact CB-CZ 3.61Å; I129-F137 HydrophobicContact CD1-CD1 3.99Å; I129-F137 HydrophobicContact CD1-CE1 4.12Å; I129-F137 HydrophobicContact CD1-CG 4.27Å; I129-F137 HydrophobicContact CG2-CE1 3.7Å; I129-F137 HydrophobicContact CG2-CE2 4.43Å; I129-F137 HydrophobicContact CG2-CZ 3.59Å | ||
| 130 | Q | 95.8 | Very high | 94.7 | Very high | 137 Ų | 137 | 76.7 Ų | 76.7 | 64% | 0.64 | 35% | 0.353 | S | S | * | . | trans | -82.1 | 85.6 | 169.4 | -67.5 | -179.4 | -26.5 | 0 | 0 | 109.2 | F128 D132 D133 F137 | F128-Q130 HydrophobicContact CE1-CG 3.67Å; F128-Q130 HydrophobicContact CZ-CG 4.27Å; Q130-D132 PolarHBondContact O-N 3.37Å; Q130-D133 HydrophobicContact CB-CB 4.49Å; Q130-D133 VanDerWaalsContact O-CB 3.3Å; Q130-D133 WeakPolarHBondContact O-CB 3.43Å; Q130-D133 PolarHBondContact O-N 3.03Å; Q130-F137 WeakPolarHBondContact O-CD2 3.31Å | ||
| 131 | R | 90 | Very high | 94.6 | Very high | 68 Ų | 68 | 76.8 Ų | 76.8 | 26% | 0.257 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.5 | -174.2 | 65 | -179.5 | 175.4 | 73.8 | 0.6 | 115.6 | S101 I129 D133 M139 | S101-R131 PolarHBondContact O-NE 3.39Å; S101-R131 PolarHBondContact O-NH2 2.69Å; S101-R131 VanDerWaalsContact O-NH2 3.13Å; I129-R131 PolarHBondContact O-N 2.97Å; I129-R131 VanDerWaalsContact O-N 3.12Å; R131-D133 VanDerWaalsContact C-N 3.29Å; R131-M139 HydrophobicContact CB-CE 4.09Å; R131-M139 WeakPolarHBondContact O-CE 3.34Å |
| 132 | D | 91.5 | Very high | 94.6 | Very high | 127 Ų | 127 | 73.1 Ų | 73.1 | 68% | 0.679 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -10.9 | 176.2 | -60.5 | -30.8 | 0 | 0 | 0 | 112.4 | Q130 T134 | Q130-D132 PolarHBondContact O-N 3.37Å; D132-T134 PolarHBondContact O-N 3.49Å |
| 133 | D | 95.6 | Very high | 94.7 | Very high | 58 Ų | 58 | 66.1 Ų | 66.1 | 31% | 0.31 | 31% | 0.31 | S | S | . | . | trans | -74.2 | 76.8 | 167.1 | -179.6 | 4.8 | 0 | 0 | 0 | 110.1 | Q130 R131 D135 R136 F137 | Q130-D133 HydrophobicContact CB-CB 4.49Å; Q130-D133 VanDerWaalsContact O-CB 3.3Å; Q130-D133 WeakPolarHBondContact O-CB 3.43Å; Q130-D133 PolarHBondContact O-N 3.03Å; R131-D133 VanDerWaalsContact C-N 3.29Å; D133-D135 PolarHBondContact O-N 2.99Å; D133-D135 PolarHBondContact OD1-N 3.23Å; D133-R136 PolarHBondContact O-N 3.49Å; D133-R136 PolarHBondContact OD1-N 2.92Å; D133-R136 VanDerWaalsContact OD1-N 3.09Å; D133-R136 WeakPolarHBondContact OD2-CB 3.39Å; D133-F137 HydrophobicContact CB-CD2 4.17Å; D133-F137 PolarHBondContact O-N 2.71Å | ||
| 134 | T | 93.8 | Very high | 94.7 | Very high | 105 Ų | 105 | 65.6 Ų | 65.6 | 64% | 0.644 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -16.8 | 178.6 | 57.1 | 0 | 0 | 0 | 0 | 113.3 | K91 D132 R136 F137 | K91-T134 PolarHBondContact NZ-O 2.96Å; D132-T134 PolarHBondContact O-N 3.49Å; T134-R136 VanDerWaalsContact C-N 3.34Å; T134-F137 WeakPolarHBondContact CA-O 3.38Å |
| 135 | D | 95.5 | Very high | 94.7 | Very high | 97 Ų | 97 | 65.7 Ų | 65.7 | 52% | 0.519 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -35.9 | 171.3 | 178.3 | 63 | 0 | 0 | 0 | 110.9 | K91 D133 R182 | K91-D135 WeakPolarHBondContact CE-O 3.29Å; K91-D135 VanDerWaalsContact NZ-C 3.29Å; K91-D135 PolarHBondContact NZ-O 2.86Å; D133-D135 PolarHBondContact O-N 2.99Å; D133-D135 PolarHBondContact OD1-N 3.23Å; D135-R182 VanDerWaalsContact O-CZ 3.22Å; D135-R182 PolarHBondContact O-NH1 3.47Å; D135-R182 PolarHBondContact O-NH2 3.27Å; D135-R182 IonicContact OD1-CZ 3.1Å; D135-R182 IonicContact OD1-NH1 3.87Å; D135-R182 PolarHBondContact OD1-NH1 2.86Å; D135-R182 IonicContact OD1-NH2 2.72Å; D135-R182 IonicContact OD2-CZ 2.77Å; D135-R182 IonicContact OD2-NH1 2.78Å; D135-R182 PolarHBondContact OD2-NH1 3.32Å; D135-R182 IonicContact OD2-NH2 3.43Å; D135-R182 PolarHBondContact OD2-NH2 2.86Å |
| 136 | R | 97.4 | Very high | 95.1 | Very high | 63 Ų | 63 | 56 Ų | 56 | 24% | 0.238 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -44.2 | 176.4 | 179 | 168.7 | 176.1 | -172.2 | -4.8 | 114.1 | D90 K91 T92 L93 D133 T134 | D90-R136 WeakPolarHBondContact OD1-CG 3.43Å; D90-R136 IonicContact OD1-CZ 3Å; D90-R136 IonicContact OD1-NE 3.69Å; D90-R136 PolarHBondContact OD1-NE 2.94Å; D90-R136 IonicContact OD1-NH2 3.27Å; D90-R136 IonicContact OD2-CZ 3.06Å; D90-R136 IonicContact OD2-NE 3.41Å; D90-R136 PolarHBondContact OD2-NE 3.02Å; D90-R136 IonicContact OD2-NH2 2.74Å; D90-R136 PolarHBondContact OD2-NH2 2.99Å; K91-R136 VanDerWaalsContact CB-O 3.25Å; K91-R136 WeakPolarHBondContact CB-O 3.44Å; K91-R136 WeakPolarHBondContact CE-O 3.42Å; K91-R136 WeakPolarHBondContact CG-O 3.37Å; K91-R136 PolarHBondContact N-O 3.22Å; T92-R136 WeakPolarHBondContact OG1-CG 3.11Å; L93-R136 VanDerWaalsContact CD1-NH2 3.32Å; D133-R136 PolarHBondContact O-N 3.49Å; D133-R136 PolarHBondContact OD1-N 2.92Å; D133-R136 VanDerWaalsContact OD1-N 3.09Å; D133-R136 WeakPolarHBondContact OD2-CB 3.39Å; T134-R136 VanDerWaalsContact C-N 3.34Å |
| 137 | F | 98.1 | Very high | 95.3 | Very high | 10 Ų | 10 | 50 Ų | 50 | 4% | 0.044 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 134 | -170.7 | -61 | -71.2 | 0 | 0 | 0 | 111.3 | V88 L89 D90 L97 I129 Q130 D133 T134 | V88-F137 HydrophobicContact CG1-CB 3.74Å; V88-F137 HydrophobicContact CG1-CD1 3.98Å; V88-F137 HydrophobicContact CG1-CG 4.2Å; L89-F137 WeakPolarHBondContact O-CA 3.4Å; D90-F137 HydrophobicContact CB-CD1 4.09Å; D90-F137 HydrophobicContact CB-CE1 3.86Å; L97-F137 HydrophobicContact CD1-CE1 4.22Å; I129-F137 HydrophobicContact CB-CE1 3.96Å; I129-F137 HydrophobicContact CB-CE2 3.95Å; I129-F137 HydrophobicContact CB-CZ 3.61Å; I129-F137 HydrophobicContact CD1-CD1 3.99Å; I129-F137 HydrophobicContact CD1-CE1 4.12Å; I129-F137 HydrophobicContact CD1-CG 4.27Å; I129-F137 HydrophobicContact CG2-CE1 3.7Å; I129-F137 HydrophobicContact CG2-CE2 4.43Å; I129-F137 HydrophobicContact CG2-CZ 3.59Å; Q130-F137 WeakPolarHBondContact O-CD2 3.31Å; D133-F137 HydrophobicContact CB-CD2 4.17Å; D133-F137 PolarHBondContact O-N 2.71Å; T134-F137 WeakPolarHBondContact CA-O 3.38Å |
| 138 | Y | 97.4 | Very high | 95.4 | Very high | 74 Ų | 74 | 47.6 Ų | 47.6 | 29% | 0.29 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 129.1 | 176.2 | -170 | -88.5 | 0 | 0 | 0 | 110.5 | V88 L89 L140 F185 | V88-Y138 CarbonylContact C-O 3.44Å; V88-Y138 WeakPolarHBondContact CA-O 3.23Å; L89-Y138 PolarHBondContact N-O 3.45Å; L89-Y138 PolarHBondContact O-N 2.94Å; Y138-L140 HydrophobicContact CD1-CD2 3.87Å; Y138-L140 HydrophobicContact CD1-CG 4.1Å; Y138-L140 HydrophobicContact CE1-CD2 3.83Å; Y138-L140 HydrophobicContact CE1-CG 4.41Å; Y138-F185 HydrophobicContact CD1-CE1 4.09Å; Y138-F185 HydrophobicContact CD1-CE2 4.46Å; Y138-F185 AromaticContact CD1-CZ 3.47Å; Y138-F185 HydrophobicContact CD1-CZ 3.47Å; Y138-F185 VanDerWaalsContact CD1-CZ 3.47Å; Y138-F185 AromaticContact CD2-CE1 3.98Å; Y138-F185 HydrophobicContact CD2-CE1 3.98Å; Y138-F185 HydrophobicContact CD2-CZ 4.15Å; Y138-F185 AromaticContact CE1-CZ 3.95Å; Y138-F185 HydrophobicContact CE1-CZ 3.95Å; Y138-F185 AromaticContact CG-CE1 3.67Å; Y138-F185 HydrophobicContact CG-CE1 3.67Å; Y138-F185 AromaticContact CG-CZ 3.57Å; Y138-F185 HydrophobicContact CG-CZ 3.57Å |
| 139 | M | 95.8 | Very high | 95.4 | Very high | 45 Ų | 45 | 43.6 Ų | 43.6 | 22% | 0.222 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 119.5 | -179.3 | -56.4 | -174 | -163.1 | 0 | 0 | 110.9 | V88 R131 N141 L434 | V88-M139 HydrophobicContact CG2-CG 4.29Å; R131-M139 HydrophobicContact CB-CE 4.09Å; R131-M139 WeakPolarHBondContact O-CE 3.34Å; M139-N141 VanDerWaalsContact CB-ND2 3.35Å; M139-N141 WeakPolarHBondContact CB-ND2 3.35Å; M139-N141 PolarHBondContact O-N 3.08Å; M139-L434 HydrophobicContact CE-CD2 4.23Å; M139-L434 HydrophobicContact SD-CD2 3.95Å |
| 140 | L | 95.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 78.5 | -178.5 | -63.7 | 155.4 | 0 | 0 | 0 | 109.2 | G86 I87 L89 L96 Y138 N145 T149 | G86-L140 WeakPolarHBondContact CA-O 3.42Å; G86-L140 PolarHBondContact N-O 3.2Å; I87-L140 WeakPolarHBondContact O-CB 3.4Å; I87-L140 PolarHBondContact O-N 3.48Å; L89-L140 HydrophobicContact CB-CD1 4.16Å; L96-L140 HydrophobicContact CD2-CD1 4.43Å; Y138-L140 HydrophobicContact CD1-CD2 3.87Å; Y138-L140 HydrophobicContact CD1-CG 4.1Å; Y138-L140 HydrophobicContact CE1-CD2 3.83Å; Y138-L140 HydrophobicContact CE1-CG 4.41Å; L140-N145 WeakPolarHBondContact CA-OD1 3.44Å; L140-N145 HydrophobicContact CB-CB 3.8Å; L140-N145 HydrophobicContact CD2-CB 3.76Å; L140-N145 HydrophobicContact CG-CB 4.4Å; L140-T149 HydrophobicContact CD1-CG2 4.28Å; L140-T149 WeakPolarHBondContact CD1-OG1 3.48Å |
| 141 | N | 92.3 | Very high | 95.6 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 8% | 0.08 | 19% | 0.188 | C | C | . | . | trans | -95.3 | -11.8 | -163.9 | -77.7 | -37 | 0 | 0 | 0 | 115.8 | R85 M139 N145 I338 | R85-N141 VanDerWaalsContact CD-O 3.26Å; R85-N141 WeakPolarHBondContact CD-O 3.36Å; R85-N141 WeakPolarHBondContact CG-O 3.44Å; R85-N141 PolarHBondContact NH1-O 2.81Å; M139-N141 VanDerWaalsContact CB-ND2 3.35Å; M139-N141 WeakPolarHBondContact CB-ND2 3.35Å; M139-N141 PolarHBondContact O-N 3.08Å; N141-N145 PolarHBondContact N-OD1 2.84Å; N141-N145 VanDerWaalsContact N-OD1 3.12Å; N141-I338 HydrophobicContact CB-CG2 4.23Å | ||
| 142 | T | 93.4 | Very high | 96 | Very high | 19 Ų | 19 | 34.7 Ų | 34.7 | 12% | 0.117 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -108.8 | 158 | -178.2 | 64.3 | 0 | 0 | 0 | 0 | 111 | R85 F144 N145 H337 | R85-T142 VanDerWaalsContact CD-C 3.45Å; T142-F144 PolarHBondContact O-N 2.78Å; T142-N145 PolarHBondContact N-OD1 3.22Å; T142-N145 VanDerWaalsContact N-OD1 3.12Å; T142-N145 WeakPolarHBondContact O-CB 3.46Å; T142-N145 PolarHBondContact O-N 3.22Å; T142-N145 PolarHBondContact OG1-OD1 2.85Å; T142-H337 HydrophobicContact CG2-CB 4.35Å |
| 143 | L | 94.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 28.7 Ų | 28.7 | 4% | 0.042 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -28.8 | 175.1 | -75.1 | 169.4 | 0 | 0 | 0 | 112.3 | Y42 N145 L146 P358 E359 | Y42-L143 HydrophobicContact CD1-CB 3.99Å; Y42-L143 HydrophobicContact CD1-CD1 3.31Å; Y42-L143 HydrophobicContact CD1-CG 4.28Å; Y42-L143 HydrophobicContact CD2-CB 3.88Å; Y42-L143 HydrophobicContact CD2-CD1 4.46Å; Y42-L143 HydrophobicContact CE1-CB 3.69Å; Y42-L143 HydrophobicContact CE1-CD1 3.58Å; Y42-L143 HydrophobicContact CE1-CG 4.25Å; Y42-L143 HydrophobicContact CE2-CB 3.58Å; Y42-L143 HydrophobicContact CG-CB 4.06Å; Y42-L143 HydrophobicContact CG-CD1 3.79Å; Y42-L143 VanDerWaalsContact CZ-CB 3.46Å; L143-N145 PolarHBondContact O-N 3.03Å; L143-N145 VanDerWaalsContact O-N 3.14Å; L143-L146 HydrophobicContact CD2-CD1 3.62Å; L143-L146 HydrophobicContact CD2-CG 4.35Å; L143-L146 WeakPolarHBondContact O-CB 3.18Å; L143-L146 WeakPolarHBondContact O-CG 3.26Å; L143-L146 PolarHBondContact O-N 2.92Å; L143-L146 VanDerWaalsContact O-N 3.11Å; L143-P358 HydrophobicContact CD1-CB 4.07Å; L143-P358 HydrophobicContact CD1-CG 3.63Å; L143-E359 HydrophobicContact CD2-CG 4.21Å; L143-E359 WeakPolarHBondContact CD2-OE1 3.26Å |
| 144 | F | 92.8 | Very high | 96.5 | Very high | 48 Ų | 48 | 26 Ų | 26 | 21% | 0.211 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -26.3 | 169.4 | -66.2 | -73.7 | 0 | 0 | 0 | 113.9 | D41 Y42 Y47 Y52 T142 L146 | D41-F144 HydrophobicContact CB-CE2 4Å; D41-F144 HydrophobicContact CB-CZ 3.9Å; Y42-F144 AromaticContact CD2-CD2 3.96Å; Y42-F144 HydrophobicContact CD2-CD2 3.96Å; Y42-F144 HydrophobicContact CD2-CE1 4.44Å; Y42-F144 AromaticContact CD2-CE2 3.56Å; Y42-F144 HydrophobicContact CD2-CE2 3.56Å; Y42-F144 AromaticContact CD2-CZ 3.83Å; Y42-F144 HydrophobicContact CD2-CZ 3.83Å; Y42-F144 HydrophobicContact CE2-CD1 4Å; Y42-F144 AromaticContact CE2-CD2 3.87Å; Y42-F144 HydrophobicContact CE2-CD2 3.87Å; Y42-F144 AromaticContact CE2-CE1 3.86Å; Y42-F144 HydrophobicContact CE2-CE1 3.86Å; Y42-F144 AromaticContact CE2-CE2 3.72Å; Y42-F144 HydrophobicContact CE2-CE2 3.72Å; Y42-F144 HydrophobicContact CE2-CG 4.01Å; Y42-F144 AromaticContact CE2-CZ 3.72Å; Y42-F144 HydrophobicContact CE2-CZ 3.72Å; Y47-F144 HydrophobicContact CE2-CE1 4.46Å; Y47-F144 HydrophobicContact CE2-CZ 4.05Å; Y52-F144 HydrophobicContact CE1-CD1 4.16Å; Y52-F144 AromaticContact CE1-CE1 3.76Å; Y52-F144 HydrophobicContact CE1-CE1 3.76Å; T142-F144 PolarHBondContact O-N 2.78Å; F144-L146 VanDerWaalsContact C-N 3.3Å; F144-L146 PolarHBondContact O-N 2.93Å |
| 145 | N | 96.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 21 Ų | 21 | 6% | 0.064 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -80 | -7.4 | -179.3 | -59.7 | 139.3 | 0 | 0 | 0 | 113.5 | L140 N141 T142 L143 S147 E148 T149 | L140-N145 WeakPolarHBondContact CA-OD1 3.44Å; L140-N145 HydrophobicContact CB-CB 3.8Å; L140-N145 HydrophobicContact CD2-CB 3.76Å; L140-N145 HydrophobicContact CG-CB 4.4Å; N141-N145 PolarHBondContact N-OD1 2.84Å; N141-N145 VanDerWaalsContact N-OD1 3.12Å; T142-N145 PolarHBondContact N-OD1 3.22Å; T142-N145 VanDerWaalsContact N-OD1 3.12Å; T142-N145 WeakPolarHBondContact O-CB 3.46Å; T142-N145 PolarHBondContact O-N 3.22Å; T142-N145 PolarHBondContact OG1-OD1 2.85Å; L143-N145 PolarHBondContact O-N 3.03Å; L143-N145 VanDerWaalsContact O-N 3.14Å; N145-S147 PolarHBondContact O-N 3.12Å; N145-E148 PolarHBondContact ND2-OE2 3.19Å; N145-E148 PolarHBondContact O-N 3Å; N145-T149 WeakPolarHBondContact O-CB 3.44Å; N145-T149 PolarHBondContact O-N 3.45Å; N145-T149 PolarHBondContact O-OG1 3.47Å |
| 146 | L | 97.8 | Very high | 96.9 | Very high | 14 Ų | 14 | 16.3 Ų | 16.3 | 7% | 0.073 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -62.4 | -43.5 | -177.7 | -67 | 178.2 | 0 | 0 | 0 | 111.8 | E53 P83 R85 L143 F144 E148 T149 Y150 | E53-L146 HydrophobicContact CG-CB 4.26Å; E53-L146 HydrophobicContact CG-CD1 4.13Å; P83-L146 HydrophobicContact CB-CD2 4.04Å; P83-L146 HydrophobicContact CG-CB 4.42Å; P83-L146 HydrophobicContact CG-CD2 4.4Å; R85-L146 HydrophobicContact CB-CD2 4.31Å; L143-L146 HydrophobicContact CD2-CD1 3.62Å; L143-L146 HydrophobicContact CD2-CG 4.35Å; L143-L146 WeakPolarHBondContact O-CB 3.18Å; L143-L146 WeakPolarHBondContact O-CG 3.26Å; L143-L146 PolarHBondContact O-N 2.92Å; L143-L146 VanDerWaalsContact O-N 3.11Å; F144-L146 VanDerWaalsContact C-N 3.3Å; F144-L146 PolarHBondContact O-N 2.93Å; L146-E148 PolarHBondContact O-N 2.74Å; L146-T149 WeakPolarHBondContact O-CB 3.09Å; L146-T149 PolarHBondContact O-N 2.89Å; L146-Y150 PolarHBondContact O-N 3.39Å |
| 147 | S | 97.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 14.2 Ų | 14.2 | 4% | 0.035 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -61.5 | -42.9 | 175.9 | -52 | 0 | 0 | 0 | 0 | 112 | E53 N145 L151 | E53-S147 WeakPolarHBondContact CA-OG 3.47Å; E53-S147 PolarHBondContact O-OG 2.89Å; N145-S147 PolarHBondContact O-N 3.12Å; S147-L151 WeakPolarHBondContact O-CB 3.34Å; S147-L151 PolarHBondContact O-N 2.75Å |
| 148 | E | 97 | Very high | 96.9 | Very high | 3 Ų | 3 | 14 Ų | 14 | 1% | 0.014 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.5 | -42.1 | 177.1 | -62.6 | 176.8 | 102.8 | 0 | 0 | 112 | L60 N145 L146 Y150 L151 Y152 V188 R189 M192 | L60-E148 HydrophobicContact CD1-CG 3.95Å; N145-E148 PolarHBondContact ND2-OE2 3.19Å; N145-E148 PolarHBondContact O-N 3Å; L146-E148 PolarHBondContact O-N 2.74Å; E148-Y150 VanDerWaalsContact C-N 3.31Å; E148-Y150 PolarHBondContact O-N 3.46Å; E148-L151 PolarHBondContact O-N 3.41Å; E148-Y152 VanDerWaalsContact O-CB 3.3Å; E148-Y152 WeakPolarHBondContact O-CB 3.42Å; E148-Y152 PolarHBondContact O-N 2.68Å; E148-V188 HydrophobicContact CB-CG1 4.13Å; E148-V188 HydrophobicContact CG-CG1 4.23Å; E148-R189 WeakPolarHBondContact OE1-CD 3.46Å; E148-R189 IonicContact OE1-CZ 3.7Å; E148-R189 IonicContact OE1-NE 3.73Å; E148-R189 IonicContact OE1-NH1 2.78Å; E148-R189 PolarHBondContact OE1-NH1 3.38Å; E148-R189 IonicContact OE2-NH1 3.29Å; E148-R189 PolarHBondContact OE2-NH1 3.04Å; E148-M192 HydrophobicContact CG-CB 4.41Å; E148-M192 HydrophobicContact CG-CE 3.56Å; E148-M192 HydrophobicContact CG-CG 4.42Å; E148-M192 WeakPolarHBondContact OE1-CB 3.36Å |
| 149 | T | 98.3 | Very high | 97 | Very high | 2 Ų | 2 | 10.7 Ų | 10.7 | 1% | 0.012 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -57.1 | -49 | 177.9 | -54.7 | 0 | 0 | 0 | 0 | 109.9 | P83 L96 L140 N145 L146 A153 | P83-T149 HydrophobicContact CB-CG2 4.03Å; L96-T149 HydrophobicContact CD1-CG2 4.09Å; L140-T149 HydrophobicContact CD1-CG2 4.28Å; L140-T149 WeakPolarHBondContact CD1-OG1 3.48Å; N145-T149 WeakPolarHBondContact O-CB 3.44Å; N145-T149 PolarHBondContact O-N 3.45Å; N145-T149 PolarHBondContact O-OG1 3.47Å; L146-T149 WeakPolarHBondContact O-CB 3.09Å; L146-T149 PolarHBondContact O-N 2.89Å; T149-A153 PolarHBondContact O-N 3.29Å |
| 150 | Y | 98.6 | Very high | 97 | Very high | 18 Ų | 18 | 10.9 Ų | 10.9 | 7% | 0.071 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -70.3 | -43.9 | -179.2 | -176.6 | -110 | 0 | 0 | 0 | 112 | F57 T77 Y78 D79 F82 F112 L146 E148 Y152 A153 C154 | F57-Y150 AromaticContact CD2-CD1 3.71Å; F57-Y150 HydrophobicContact CD2-CD1 3.71Å; F57-Y150 HydrophobicContact CD2-CE1 4.4Å; F57-Y150 AromaticContact CE2-CD1 3.42Å; F57-Y150 HydrophobicContact CE2-CD1 3.42Å; F57-Y150 VanDerWaalsContact CE2-CD1 3.42Å; F57-Y150 AromaticContact CE2-CE1 3.81Å; F57-Y150 HydrophobicContact CE2-CE1 3.81Å; F57-Y150 HydrophobicContact CZ-CD1 4.04Å; F57-Y150 AromaticContact CZ-CE1 3.95Å; F57-Y150 HydrophobicContact CZ-CE1 3.95Å; T77-Y150 WeakPolarHBondContact O-CE1 3.43Å; T77-Y150 PolarHBondContact O-OH 3.19Å; T77-Y150 VanDerWaalsContact O-OH 3.06Å; Y78-Y150 AromaticContact CD2-CD1 3.65Å; Y78-Y150 HydrophobicContact CD2-CD1 3.65Å; Y78-Y150 HydrophobicContact CD2-CE1 4.39Å; Y78-Y150 HydrophobicContact CD2-CG 4.13Å; Y78-Y150 HydrophobicContact CE2-CD1 4.22Å; Y78-Y150 HydrophobicContact CE2-CG 4.24Å; D79-Y150 HydrophobicContact CB-CE1 4.37Å; D79-Y150 HydrophobicContact CB-CE2 3.71Å; D79-Y150 WeakPolarHBondContact CB-OH 3.34Å; F82-Y150 HydrophobicContact CB-CD2 3.8Å; F82-Y150 HydrophobicContact CB-CE2 3.97Å; F82-Y150 AromaticContact CD1-CD2 3.73Å; F82-Y150 HydrophobicContact CD1-CD2 3.73Å; F82-Y150 HydrophobicContact CD1-CE2 4.48Å; F82-Y150 AromaticContact CG-CD2 3.97Å; F82-Y150 HydrophobicContact CG-CD2 3.97Å; F82-Y150 HydrophobicContact CG-CE2 4.31Å; F112-Y150 HydrophobicContact CE1-CD2 4.11Å; F112-Y150 AromaticContact CE1-CE2 3.64Å; F112-Y150 HydrophobicContact CE1-CE2 3.64Å; F112-Y150 HydrophobicContact CZ-CD2 4.46Å; F112-Y150 AromaticContact CZ-CE2 3.77Å; F112-Y150 HydrophobicContact CZ-CE2 3.77Å; L146-Y150 PolarHBondContact O-N 3.39Å; E148-Y150 VanDerWaalsContact C-N 3.31Å; E148-Y150 PolarHBondContact O-N 3.46Å; Y150-Y152 VanDerWaalsContact C-N 3.32Å; Y150-Y152 PolarHBondContact O-N 2.78Å; Y150-A153 WeakPolarHBondContact O-CB 3.47Å; Y150-A153 PolarHBondContact O-N 3.06Å; Y150-A153 VanDerWaalsContact O-N 3.15Å; Y150-C154 VanDerWaalsContact CE1-SG 3.58Å; Y150-C154 PolarHBondContact O-N 2.68Å; Y150-C154 PolarHBondContact O-SG 3.05Å; Y150-C154 VanDerWaalsContact O-SG 3.32Å |
| 151 | L | 98.6 | Very high | 97.1 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.01 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 175.7 | 179 | 61.1 | 0 | 0 | 0 | 112 | F57 L60 R61 M64 S147 E148 A153 C154 L155 V188 | F57-L151 HydrophobicContact CD2-CB 4.03Å; F57-L151 HydrophobicContact CE2-CB 3.86Å; F57-L151 HydrophobicContact CE2-CD1 3.96Å; F57-L151 HydrophobicContact CZ-CD1 4.45Å; L60-L151 HydrophobicContact CB-CD2 3.58Å; L60-L151 HydrophobicContact CD1-CD2 4.24Å; L60-L151 HydrophobicContact CG-CD2 4.45Å; R61-L151 HydrophobicContact CB-CD1 4.45Å; M64-L151 HydrophobicContact CG-CD2 3.98Å; S147-L151 WeakPolarHBondContact O-CB 3.34Å; S147-L151 PolarHBondContact O-N 2.75Å; E148-L151 PolarHBondContact O-N 3.41Å; L151-A153 VanDerWaalsContact C-N 3.3Å; L151-A153 PolarHBondContact O-N 3.23Å; L151-C154 WeakPolarHBondContact O-CB 3.1Å; L151-C154 PolarHBondContact O-N 2.81Å; L151-C154 VanDerWaalsContact O-N 3.13Å; L151-L155 HydrophobicContact CD1-CG 4.33Å; L151-L155 HydrophobicContact CG-CD1 4.27Å; L151-L155 HydrophobicContact CG-CG 4.44Å; L151-L155 WeakPolarHBondContact O-CG 3.29Å; L151-L155 PolarHBondContact O-N 3.09Å; L151-V188 HydrophobicContact CD2-CG1 4.46Å; L151-V188 HydrophobicContact CD2-CG2 4.49Å |
| 152 | Y | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -61.4 | -41.1 | 177.7 | -171.6 | -95.5 | 0 | 0 | 0 | 111.7 | L89 L96 E148 Y150 L155 V156 Y181 M184 F185 | L89-Y152 HydrophobicContact CD1-CD1 3.43Å; L89-Y152 VanDerWaalsContact CD1-CD1 3.43Å; L89-Y152 HydrophobicContact CD1-CD2 3.88Å; L89-Y152 HydrophobicContact CD1-CE1 3.54Å; L89-Y152 HydrophobicContact CD1-CE2 3.99Å; L89-Y152 HydrophobicContact CD1-CG 3.58Å; L89-Y152 HydrophobicContact CD2-CE1 4.43Å; L89-Y152 HydrophobicContact CG-CD1 4.23Å; L89-Y152 HydrophobicContact CG-CE1 3.9Å; L96-Y152 HydrophobicContact CD2-CD1 4.12Å; L96-Y152 HydrophobicContact CG-CD1 4.48Å; E148-Y152 VanDerWaalsContact O-CB 3.3Å; E148-Y152 WeakPolarHBondContact O-CB 3.42Å; E148-Y152 PolarHBondContact O-N 2.68Å; Y150-Y152 VanDerWaalsContact C-N 3.32Å; Y150-Y152 PolarHBondContact O-N 2.78Å; Y152-L155 PolarHBondContact O-N 2.98Å; Y152-V156 HydrophobicContact CD1-CG2 4.02Å; Y152-V156 HydrophobicContact CE1-CG2 3.64Å; Y152-V156 WeakPolarHBondContact O-CG2 3.49Å; Y152-V156 PolarHBondContact O-N 3.37Å; Y152-Y181 WeakPolarHBondContact OH-CB 3.38Å; Y152-Y181 PolarHBondContact OH-O 3.2Å; Y152-M184 HydrophobicContact CD2-CE 4.02Å; Y152-M184 HydrophobicContact CE1-CE 4.48Å; Y152-M184 HydrophobicContact CE2-CE 3.41Å; Y152-M184 VanDerWaalsContact CE2-CE 3.41Å; Y152-F185 HydrophobicContact CD2-CB 4.24Å; Y152-F185 HydrophobicContact CD2-CD2 4.05Å; Y152-F185 HydrophobicContact CE2-CB 3.65Å; Y152-F185 HydrophobicContact CE2-CD2 4.2Å; Y152-F185 HydrophobicContact CE2-CG 4.38Å |
| 153 | A | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.1 | -43.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | F82 L96 G111 F112 T149 Y150 L151 L155 V156 D157 | F82-A153 HydrophobicContact CD1-CB 4.37Å; F82-A153 HydrophobicContact CE1-CB 3.5Å; F82-A153 VanDerWaalsContact CE1-CB 3.5Å; F82-A153 HydrophobicContact CZ-CB 3.64Å; L96-A153 HydrophobicContact CD1-CB 3.93Å; G111-A153 WeakPolarHBondContact CA-O 3.36Å; F112-A153 HydrophobicContact CD1-CB 4.17Å; F112-A153 HydrophobicContact CE1-CB 3.74Å; F112-A153 HydrophobicContact CZ-CB 4.4Å; T149-A153 PolarHBondContact O-N 3.29Å; Y150-A153 WeakPolarHBondContact O-CB 3.47Å; Y150-A153 PolarHBondContact O-N 3.06Å; Y150-A153 VanDerWaalsContact O-N 3.15Å; L151-A153 VanDerWaalsContact C-N 3.3Å; L151-A153 PolarHBondContact O-N 3.23Å; A153-L155 VanDerWaalsContact C-N 3.32Å; A153-L155 PolarHBondContact O-N 3.24Å; A153-V156 PolarHBondContact O-N 3.17Å; A153-D157 VanDerWaalsContact O-CB 3.23Å; A153-D157 WeakPolarHBondContact O-CB 3.37Å; A153-D157 PolarHBondContact O-N 3.47Å |
| 154 | C | 98.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.007 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.7 | -43.6 | 174.2 | -65.2 | 0 | 0 | 0 | 0 | 112 | Y76 F112 Y150 L151 F158 | Y76-C154 HydrophobicContact CD1-CB 4Å; Y76-C154 HydrophobicContact CD2-CB 3.99Å; Y76-C154 HydrophobicContact CE1-CB 4.09Å; Y76-C154 HydrophobicContact CE2-CB 4.1Å; Y76-C154 HydrophobicContact CG-CB 3.95Å; F112-C154 HydrophobicContact CZ-CB 4.36Å; F112-C154 VanDerWaalsContact CZ-SG 3.59Å; Y150-C154 VanDerWaalsContact CE1-SG 3.58Å; Y150-C154 PolarHBondContact O-N 2.68Å; Y150-C154 PolarHBondContact O-SG 3.05Å; Y150-C154 VanDerWaalsContact O-SG 3.32Å; L151-C154 WeakPolarHBondContact O-CB 3.1Å; L151-C154 PolarHBondContact O-N 2.81Å; L151-C154 VanDerWaalsContact O-N 3.13Å; C154-F158 WeakPolarHBondContact O-CB 3.31Å; C154-F158 PolarHBondContact O-N 2.74Å |
| 155 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.8 | -51.2 | -179.5 | -67.5 | 173 | 0 | 0 | 0 | 111 | M64 Y69 I73 L151 Y152 A153 D157 F158 F159 M184 V188 | M64-L155 HydrophobicContact CE-CD1 3.93Å; Y69-L155 HydrophobicContact CD1-CD2 4Å; Y69-L155 HydrophobicContact CE1-CD1 4.43Å; Y69-L155 HydrophobicContact CE1-CD2 4.29Å; I73-L155 HydrophobicContact CD1-CD2 4.18Å; I73-L155 HydrophobicContact CG2-CD2 4.14Å; L151-L155 HydrophobicContact CD1-CG 4.33Å; L151-L155 HydrophobicContact CG-CD1 4.27Å; L151-L155 HydrophobicContact CG-CG 4.44Å; L151-L155 WeakPolarHBondContact O-CG 3.29Å; L151-L155 PolarHBondContact O-N 3.09Å; Y152-L155 PolarHBondContact O-N 2.98Å; A153-L155 VanDerWaalsContact C-N 3.32Å; A153-L155 PolarHBondContact O-N 3.24Å; L155-D157 VanDerWaalsContact C-N 3.29Å; L155-D157 PolarHBondContact O-N 3.48Å; L155-F158 PolarHBondContact O-N 2.93Å; L155-F159 HydrophobicContact CB-CD2 4.42Å; L155-F159 HydrophobicContact CB-CE2 4.33Å; L155-F159 HydrophobicContact CD2-CE2 4.15Å; L155-F159 WeakPolarHBondContact O-CD2 3.22Å; L155-F159 PolarHBondContact O-N 3.09Å; L155-M184 HydrophobicContact CB-CE 4.2Å; L155-M184 HydrophobicContact CB-SD 3.77Å; L155-M184 HydrophobicContact CD1-CG 4.13Å; L155-M184 HydrophobicContact CD1-SD 4.4Å; L155-V188 HydrophobicContact CD1-CG2 3.61Å |
| 156 | V | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.2 | -47.1 | 177.4 | 175 | 0 | 0 | 0 | 0 | 110.4 | H110 G111 Y152 A153 T160 Y181 M184 | H110-V156 WeakPolarHBondContact NE2-CG1 3.47Å; G111-V156 VanDerWaalsContact N-CG1 3.29Å; Y152-V156 HydrophobicContact CD1-CG2 4.02Å; Y152-V156 HydrophobicContact CE1-CG2 3.64Å; Y152-V156 WeakPolarHBondContact O-CG2 3.49Å; Y152-V156 PolarHBondContact O-N 3.37Å; A153-V156 PolarHBondContact O-N 3.17Å; V156-T160 WeakPolarHBondContact O-CB 2.92Å; V156-T160 PolarHBondContact O-N 3.32Å; V156-T160 PolarHBondContact O-OG1 2.5Å; V156-Y181 HydrophobicContact CG1-CE1 4.32Å; V156-Y181 HydrophobicContact CG2-CD1 4.29Å; V156-Y181 HydrophobicContact CG2-CE1 4.18Å; V156-M184 HydrophobicContact CG2-CE 3.53Å |
| 157 | D | 98.2 | Very high | 97.5 | Very high | 19 Ų | 19 | 35.8 Ų | 35.8 | 10% | 0.102 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 177.4 | 170.6 | 71 | 0 | 0 | 0 | 112.7 | Y76 F112 A153 L155 T160 R161 | Y76-D157 PolarHBondContact OH-OD2 2.97Å; F112-D157 HydrophobicContact CD2-CB 3.61Å; F112-D157 WeakPolarHBondContact CD2-OD2 3.21Å; F112-D157 HydrophobicContact CE2-CB 3.95Å; F112-D157 HydrophobicContact CG-CB 4.3Å; A153-D157 VanDerWaalsContact O-CB 3.23Å; A153-D157 WeakPolarHBondContact O-CB 3.37Å; A153-D157 PolarHBondContact O-N 3.47Å; L155-D157 VanDerWaalsContact C-N 3.29Å; L155-D157 PolarHBondContact O-N 3.48Å; D157-T160 PolarHBondContact O-N 2.94Å; D157-R161 VanDerWaalsContact CG-NE 3.32Å; D157-R161 WeakPolarHBondContact O-CB 3.13Å; D157-R161 WeakPolarHBondContact O-CG 3.21Å; D157-R161 PolarHBondContact O-N 3.46Å; D157-R161 VanDerWaalsContact O-N 3.09Å; D157-R161 IonicContact OD1-CZ 3.59Å; D157-R161 IonicContact OD1-NE 2.59Å; D157-R161 PolarHBondContact OD1-NE 2.87Å; D157-R161 IonicContact OD1-NH2 2.92Å; D157-R161 IonicContact OD2-CZ 3.95Å; D157-R161 VanDerWaalsContact OD2-CZ 3.27Å; D157-R161 IonicContact OD2-NE 3.52Å; D157-R161 PolarHBondContact OD2-NE 2.93Å; D157-R161 VanDerWaalsContact OD2-NE 3.14Å; D157-R161 IonicContact OD2-NH2 3.09Å; D157-R161 PolarHBondContact OD2-NH2 3.44Å |
| 158 | F | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 39 Ų | 39 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.3 | -54.4 | 178.3 | 170.8 | -99.3 | 0 | 0 | 0 | 111.8 | P70 E72 I73 Y76 C154 L155 T160 R161 C162 | P70-F158 HydrophobicContact CB-CE1 3.96Å; P70-F158 HydrophobicContact CB-CZ 3.87Å; P70-F158 HydrophobicContact CG-CE1 3.89Å; P70-F158 HydrophobicContact CG-CZ 4.29Å; E72-F158 HydrophobicContact CB-CE2 3.56Å; E72-F158 HydrophobicContact CB-CZ 3.97Å; E72-F158 HydrophobicContact CG-CE2 4.42Å; I73-F158 HydrophobicContact CG2-CD1 4.12Å; I73-F158 HydrophobicContact CG2-CD2 4.4Å; I73-F158 HydrophobicContact CG2-CE1 4.36Å; I73-F158 HydrophobicContact CG2-CG 4.14Å; Y76-F158 HydrophobicContact CE2-CB 4.1Å; Y76-F158 HydrophobicContact CE2-CD2 4.46Å; C154-F158 WeakPolarHBondContact O-CB 3.31Å; C154-F158 PolarHBondContact O-N 2.74Å; L155-F158 PolarHBondContact O-N 2.93Å; F158-T160 VanDerWaalsContact C-N 3.34Å; F158-R161 PolarHBondContact O-N 3.19Å; F158-C162 VanDerWaalsContact O-CB 3.27Å; F158-C162 WeakPolarHBondContact O-CB 3.38Å; F158-C162 PolarHBondContact O-N 3.49Å |
| 159 | F | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.8 | -37.1 | -177.6 | -71 | -69.4 | 0 | 0 | 0 | 111.5 | Y69 P70 L155 R161 C162 Y165 F172 M179 M184 | Y69-F159 HydrophobicContact CD1-CE2 4.15Å; Y69-F159 AromaticContact CD1-CZ 3.95Å; Y69-F159 HydrophobicContact CD1-CZ 3.95Å; Y69-F159 HydrophobicContact CE1-CE2 4.07Å; Y69-F159 HydrophobicContact CE1-CZ 4.12Å; P70-F159 HydrophobicContact CG-CE1 4.14Å; P70-F159 HydrophobicContact CG-CZ 4.28Å; L155-F159 HydrophobicContact CB-CD2 4.42Å; L155-F159 HydrophobicContact CB-CE2 4.33Å; L155-F159 HydrophobicContact CD2-CE2 4.15Å; L155-F159 WeakPolarHBondContact O-CD2 3.22Å; L155-F159 PolarHBondContact O-N 3.09Å; F159-R161 VanDerWaalsContact C-N 3.29Å; F159-R161 PolarHBondContact O-N 2.65Å; F159-C162 PolarHBondContact O-N 3.35Å; F159-Y165 AromaticContact CD1-CD1 3.96Å; F159-Y165 HydrophobicContact CD1-CD1 3.96Å; F159-Y165 AromaticContact CD1-CD2 3.84Å; F159-Y165 HydrophobicContact CD1-CD2 3.84Å; F159-Y165 AromaticContact CD1-CE1 3.85Å; F159-Y165 HydrophobicContact CD1-CE1 3.85Å; F159-Y165 AromaticContact CD1-CE2 3.72Å; F159-Y165 HydrophobicContact CD1-CE2 3.72Å; F159-Y165 AromaticContact CD1-CG 3.97Å; F159-Y165 HydrophobicContact CD1-CG 3.97Å; F159-Y165 AromaticContact CD1-CZ 3.74Å; F159-Y165 HydrophobicContact CE1-CD1 4.36Å; F159-Y165 HydrophobicContact CE1-CD2 4.47Å; F159-Y165 AromaticContact CE1-CE1 3.79Å; F159-Y165 HydrophobicContact CE1-CE1 3.79Å; F159-Y165 AromaticContact CE1-CE2 3.9Å; F159-Y165 HydrophobicContact CE1-CE2 3.9Å; F159-Y165 AromaticContact CE1-CZ 3.54Å; F159-F172 HydrophobicContact CB-CB 4.48Å; F159-F172 HydrophobicContact CB-CD1 3.67Å; F159-F172 HydrophobicContact CB-CD2 3.52Å; F159-F172 HydrophobicContact CB-CE1 3.63Å; F159-F172 HydrophobicContact CB-CE2 3.46Å; F159-F172 VanDerWaalsContact CB-CE2 3.46Å; F159-F172 HydrophobicContact CB-CG 3.61Å; F159-F172 HydrophobicContact CB-CZ 3.52Å; F159-F172 HydrophobicContact CD2-CD2 4.27Å; F159-F172 HydrophobicContact CD2-CE2 4.23Å; F159-F172 AromaticContact CG-CD2 3.96Å; F159-F172 HydrophobicContact CG-CD2 3.96Å; F159-F172 HydrophobicContact CG-CE2 4.13Å; F159-F172 HydrophobicContact CG-CG 4.28Å; F159-M179 HydrophobicContact CD1-CE 4.13Å; F159-M179 HydrophobicContact CD2-CE 3.7Å; F159-M179 HydrophobicContact CE1-CE 3.9Å; F159-M179 HydrophobicContact CE2-CE 3.5Å; F159-M179 VanDerWaalsContact CE2-CE 3.5Å; F159-M179 HydrophobicContact CG-CE 4.06Å; F159-M179 HydrophobicContact CZ-CE 3.59Å; F159-M179 HydrophobicContact CZ-SD 4.42Å; F159-M184 HydrophobicContact CD2-SD 3.96Å; F159-M184 HydrophobicContact CE2-SD 4.04Å |
| 160 | T | 97.4 | Very high | 97.4 | Very high | 48 Ų | 48 | 51.7 Ų | 51.7 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.9 | -38.4 | 176.6 | -61.1 | 0 | 0 | 0 | 0 | 112.5 | V156 D157 F158 N167 | V156-T160 WeakPolarHBondContact O-CB 2.92Å; V156-T160 PolarHBondContact O-N 3.32Å; V156-T160 PolarHBondContact O-OG1 2.5Å; D157-T160 PolarHBondContact O-N 2.94Å; F158-T160 VanDerWaalsContact C-N 3.34Å; T160-N167 WeakPolarHBondContact CA-OD1 3.3Å; T160-N167 PolarHBondContact O-ND2 3.4Å |
| 161 | R | 96.3 | Very high | 97.3 | Very high | 156 Ų | 156 | 50.8 Ų | 50.8 | 59% | 0.589 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -89.2 | -13.3 | -178.2 | -65.6 | -168.5 | -70.3 | 139.6 | -4.6 | 113.8 | Y76 D157 F158 F159 T163 | Y76-R161 PolarHBondContact OH-NH2 2.89Å; D157-R161 VanDerWaalsContact CG-NE 3.32Å; D157-R161 WeakPolarHBondContact O-CB 3.13Å; D157-R161 WeakPolarHBondContact O-CG 3.21Å; D157-R161 PolarHBondContact O-N 3.46Å; D157-R161 VanDerWaalsContact O-N 3.09Å; D157-R161 IonicContact OD1-CZ 3.59Å; D157-R161 IonicContact OD1-NE 2.59Å; D157-R161 PolarHBondContact OD1-NE 2.87Å; D157-R161 IonicContact OD1-NH2 2.92Å; D157-R161 IonicContact OD2-CZ 3.95Å; D157-R161 VanDerWaalsContact OD2-CZ 3.27Å; D157-R161 IonicContact OD2-NE 3.52Å; D157-R161 PolarHBondContact OD2-NE 2.93Å; D157-R161 VanDerWaalsContact OD2-NE 3.14Å; D157-R161 IonicContact OD2-NH2 3.09Å; D157-R161 PolarHBondContact OD2-NH2 3.44Å; F158-R161 PolarHBondContact O-N 3.19Å; F159-R161 VanDerWaalsContact C-N 3.29Å; F159-R161 PolarHBondContact O-N 2.65Å; R161-T163 PolarHBondContact O-N 2.85Å |
| 162 | C | 95.4 | Very high | 97.3 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 16% | 0.155 | 25% | 0.245 | C | C | . | . | trans | -85.1 | 113.4 | -175.9 | -173.5 | 0 | 0 | 0 | 0 | 110.9 | F158 F159 R164 Y165 | F158-C162 VanDerWaalsContact O-CB 3.27Å; F158-C162 WeakPolarHBondContact O-CB 3.38Å; F158-C162 PolarHBondContact O-N 3.49Å; F159-C162 PolarHBondContact O-N 3.35Å; C162-R164 PolarHBondContact O-N 2.92Å; C162-Y165 HydrophobicContact CB-CD2 3.79Å; C162-Y165 HydrophobicContact CB-CE2 4.28Å; C162-Y165 PolarHBondContact O-N 3.49Å | ||
| 163 | T | 94.1 | Very high | 97.3 | Very high | 147 Ų | 147 | 54.4 Ų | 54.4 | 90% | 0.902 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -12.7 | -178.6 | 54.6 | 0 | 0 | 0 | 0 | 114.8 | R161 Y165 | R161-T163 PolarHBondContact O-N 2.85Å; T163-Y165 PolarHBondContact O-N 3.48Å |
| 164 | R | 95.8 | Very high | 97.2 | Very high | 109 Ų | 109 | 58.5 Ų | 58.5 | 41% | 0.411 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -24.3 | 172.9 | -65 | -173.7 | -63.4 | -155.6 | -4.9 | 112.5 | E72 C162 H174 | E72-R164 IonicContact OE1-CZ 2.65Å; E72-R164 VanDerWaalsContact OE1-CZ 3.25Å; E72-R164 IonicContact OE1-NH1 3.35Å; E72-R164 PolarHBondContact OE1-NH1 3.41Å; E72-R164 IonicContact OE1-NH2 2.74Å; E72-R164 PolarHBondContact OE1-NH2 3.04Å; E72-R164 IonicContact OE2-NH2 3.04Å; C162-R164 PolarHBondContact O-N 2.92Å; R164-H174 PolarHBondContact O-ND1 3.03Å |
| 165 | Y | 96.8 | Very high | 97.1 | Very high | 45 Ų | 45 | 61.1 Ų | 61.1 | 18% | 0.176 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -109.3 | 138.5 | -174.1 | -59.8 | -93.4 | 0 | 0 | 0 | 110.4 | P70 F159 C162 T163 F172 Q173 H174 | P70-Y165 WeakPolarHBondContact CG-OH 3.4Å; F159-Y165 AromaticContact CD1-CD1 3.96Å; F159-Y165 HydrophobicContact CD1-CD1 3.96Å; F159-Y165 AromaticContact CD1-CD2 3.84Å; F159-Y165 HydrophobicContact CD1-CD2 3.84Å; F159-Y165 AromaticContact CD1-CE1 3.85Å; F159-Y165 HydrophobicContact CD1-CE1 3.85Å; F159-Y165 AromaticContact CD1-CE2 3.72Å; F159-Y165 HydrophobicContact CD1-CE2 3.72Å; F159-Y165 AromaticContact CD1-CG 3.97Å; F159-Y165 HydrophobicContact CD1-CG 3.97Å; F159-Y165 AromaticContact CD1-CZ 3.74Å; F159-Y165 HydrophobicContact CE1-CD1 4.36Å; F159-Y165 HydrophobicContact CE1-CD2 4.47Å; F159-Y165 AromaticContact CE1-CE1 3.79Å; F159-Y165 HydrophobicContact CE1-CE1 3.79Å; F159-Y165 AromaticContact CE1-CE2 3.9Å; F159-Y165 HydrophobicContact CE1-CE2 3.9Å; F159-Y165 AromaticContact CE1-CZ 3.54Å; C162-Y165 HydrophobicContact CB-CD2 3.79Å; C162-Y165 HydrophobicContact CB-CE2 4.28Å; C162-Y165 PolarHBondContact O-N 3.49Å; T163-Y165 PolarHBondContact O-N 3.48Å; Y165-F172 HydrophobicContact CD1-CB 4.3Å; Y165-Q173 CarbonylContact C-O 3.49Å; Y165-Q173 WeakPolarHBondContact CA-O 3.4Å; Y165-H174 HydrophobicContact CD1-CB 3.63Å; Y165-H174 HydrophobicContact CE1-CB 3.7Å; Y165-H174 HydrophobicContact CG-CB 4.49Å |
| 166 | S | 97.6 | Very high | 97 | Very high | 73 Ų | 73 | 69.3 Ų | 69.3 | 51% | 0.51 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 125.8 | 168.7 | -62 | 0 | 0 | 0 | 0 | 109.4 | L168 F172 Q173 | S166-L168 PolarHBondContact O-N 2.86Å; S166-F172 WeakPolarHBondContact O-CA 3.46Å; S166-Q173 PolarHBondContact N-O 3.04Å; S166-Q173 PolarHBondContact O-N 3.06Å |
| 167 | N | 97.2 | Very high | 96.9 | Very high | 88 Ų | 88 | 75.4 Ų | 75.4 | 47% | 0.471 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 117.8 | 178.4 | -64.8 | -27.2 | 0 | 0 | 0 | 109.9 | T160 F172 | T160-N167 WeakPolarHBondContact CA-OD1 3.3Å; T160-N167 PolarHBondContact O-ND2 3.4Å; N167-F172 VanDerWaalsContact OD1-CD1 3.26Å; N167-F172 WeakPolarHBondContact OD1-CD1 3.4Å; N167-F172 VanDerWaalsContact OD1-CE1 3.3Å; N167-F172 WeakPolarHBondContact OD1-CE1 3.47Å |
| 168 | L | 96.9 | Very high | 96.9 | Very high | 72 Ų | 72 | 79.8 Ų | 79.8 | 38% | 0.377 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 160.9 | 174.5 | -59.4 | -180 | 0 | 0 | 0 | 109.8 | S166 K170 G171 Q173 F178 | S166-L168 PolarHBondContact O-N 2.86Å; L168-K170 PolarHBondContact O-N 3.24Å; L168-G171 CarbonylContact C-O 3.56Å; L168-G171 WeakPolarHBondContact CA-O 3.48Å; L168-G171 WeakPolarHBondContact CB-O 3.35Å; L168-G171 PolarHBondContact N-O 2.93Å; L168-G171 PolarHBondContact O-N 2.83Å; L168-Q173 HydrophobicContact CD1-CB 3.85Å; L168-Q173 HydrophobicContact CG-CB 4.38Å; L168-F178 HydrophobicContact CB-CE2 4.43Å; L168-F178 HydrophobicContact CD1-CD2 3.84Å; L168-F178 HydrophobicContact CD1-CE2 3.76Å |
| 169 | R | 95.1 | Very high | 96.9 | Very high | 146 Ų | 146 | 81.3 Ų | 81.3 | 55% | 0.551 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.9 | -177.7 | -172.6 | 173.2 | -178.3 | 177.4 | 5.1 | 114.1 | L93 | L93-R169 HydrophobicContact CD2-CG 4.03Š|
| 170 | K | 97.4 | Very high | 97 | Very high | 126 Ų | 126 | 82.5 Ų | 82.5 | 55% | 0.548 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.6 | 9.6 | -175.2 | -64.3 | -173.9 | 176.9 | -178.6 | 0 | 113.8 | T92 L168 F178 S180 Y181 | T92-K170 HydrophobicContact CG2-CD 4.36Å; T92-K170 HydrophobicContact CG2-CG 4.34Å; T92-K170 WeakPolarHBondContact O-CA 3.25Å; L168-K170 PolarHBondContact O-N 3.24Å; K170-F178 HydrophobicContact CB-CZ 4.34Å; K170-S180 VanDerWaalsContact O-CA 3.29Å; K170-S180 WeakPolarHBondContact O-CA 3.34Å; K170-Y181 VanDerWaalsContact C-CE2 3.45Å; K170-Y181 WeakPolarHBondContact O-CD2 3.33Å; K170-Y181 PolarHBondContact O-N 3.24Å |
| 171 | G | 98 | Very high | 97 | Very high | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.6 | -152.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L168 M179 | L168-G171 CarbonylContact C-O 3.56Å; L168-G171 WeakPolarHBondContact CA-O 3.48Å; L168-G171 WeakPolarHBondContact CB-O 3.35Å; L168-G171 PolarHBondContact N-O 2.93Å; L168-G171 PolarHBondContact O-N 2.83Å; G171-M179 CarbonylContact C-O 3.58Å; G171-M179 VanDerWaalsContact CA-O 3.29Å; G171-M179 WeakPolarHBondContact CA-O 3.38Å |
| 172 | F | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 77 Ų | 77 | 0% | 0.004 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 142.6 | -172.8 | -54.2 | -76.5 | 0 | 0 | 0 | 110.6 | F159 Y165 S166 N167 M179 Y181 M184 | F159-F172 HydrophobicContact CB-CB 4.48Å; F159-F172 HydrophobicContact CB-CD1 3.67Å; F159-F172 HydrophobicContact CB-CD2 3.52Å; F159-F172 HydrophobicContact CB-CE1 3.63Å; F159-F172 HydrophobicContact CB-CE2 3.46Å; F159-F172 VanDerWaalsContact CB-CE2 3.46Å; F159-F172 HydrophobicContact CB-CG 3.61Å; F159-F172 HydrophobicContact CB-CZ 3.52Å; F159-F172 HydrophobicContact CD2-CD2 4.27Å; F159-F172 HydrophobicContact CD2-CE2 4.23Å; F159-F172 AromaticContact CG-CD2 3.96Å; F159-F172 HydrophobicContact CG-CD2 3.96Å; F159-F172 HydrophobicContact CG-CE2 4.13Å; F159-F172 HydrophobicContact CG-CG 4.28Å; Y165-F172 HydrophobicContact CD1-CB 4.3Å; S166-F172 WeakPolarHBondContact O-CA 3.46Å; N167-F172 VanDerWaalsContact OD1-CD1 3.26Å; N167-F172 WeakPolarHBondContact OD1-CD1 3.4Å; N167-F172 VanDerWaalsContact OD1-CE1 3.3Å; N167-F172 WeakPolarHBondContact OD1-CE1 3.47Å; F172-M179 HydrophobicContact CD2-CE 3.96Å; F172-M179 PolarHBondContact N-O 2.88Å; F172-M179 PolarHBondContact O-N 3.19Å; F172-Y181 HydrophobicContact CD2-CE1 4.28Å; F172-Y181 HydrophobicContact CE2-CD1 4.11Å; F172-Y181 AromaticContact CE2-CE1 3.39Å; F172-Y181 HydrophobicContact CE2-CE1 3.39Å; F172-Y181 AromaticContact CZ-CE1 3.57Å; F172-Y181 HydrophobicContact CZ-CE1 3.57Å; F172-Y181 AromaticContact CZ-CZ 3.98Å; F172-M184 HydrophobicContact CE2-SD 4.47Å |
| 173 | Q | 98.1 | Very high | 97.3 | Very high | 78 Ų | 78 | 78 Ų | 78 | 36% | 0.364 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 134.5 | 176.9 | -176 | 170.5 | 10.2 | 0 | 0 | 111.6 | Y165 S166 L168 G175 L177 | Y165-Q173 CarbonylContact C-O 3.49Å; Y165-Q173 WeakPolarHBondContact CA-O 3.4Å; S166-Q173 PolarHBondContact N-O 3.04Å; S166-Q173 PolarHBondContact O-N 3.06Å; L168-Q173 HydrophobicContact CD1-CB 3.85Å; L168-Q173 HydrophobicContact CG-CB 4.38Å; Q173-G175 PolarHBondContact NE2-O 3.12Å; Q173-G175 VanDerWaalsContact NE2-O 3.16Å; Q173-L177 CarbonylContact C-O 3.12Å; Q173-L177 WeakPolarHBondContact CA-O 3.4Å |
| 174 | H | 97.1 | Very high | 97.5 | Very high | 86 Ų | 86 | 71 Ų | 71 | 40% | 0.398 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 103.8 | 173 | -177.6 | 62.9 | 0 | 0 | 0 | 110.1 | R164 Y165 D176 L177 | R164-H174 PolarHBondContact O-ND1 3.03Å; Y165-H174 HydrophobicContact CD1-CB 3.63Å; Y165-H174 HydrophobicContact CE1-CB 3.7Å; Y165-H174 HydrophobicContact CG-CB 4.49Å; H174-D176 PolarHBondContact O-N 3.04Å; H174-L177 PolarHBondContact N-O 3.42Å; H174-L177 WeakPolarHBondContact O-CB 3.46Å; H174-L177 PolarHBondContact O-N 3.13Å |
| 175 | G | 95.8 | Very high | 97.6 | Very high | 56 Ų | 56 | 66 Ų | 66 | 58% | 0.577 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | -125.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q173 L177 | Q173-G175 PolarHBondContact NE2-O 3.12Å; Q173-G175 VanDerWaalsContact NE2-O 3.16Å; G175-L177 VanDerWaalsContact C-N 3.29Å |
| 176 | D | 96.4 | Very high | 97.7 | Very high | 172 Ų | 172 | 68.3 Ų | 68.3 | 92% | 0.92 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | 0.3 | 179.2 | -57.9 | -38.5 | 0 | 0 | 0 | 113.6 | H174 | H174-D176 PolarHBondContact O-N 3.04Š|
| 177 | L | 97.1 | Very high | 97.7 | Very high | 129 Ų | 129 | 67.2 Ų | 67.2 | 68% | 0.675 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97 | 119.5 | 179.9 | -59.9 | 174.2 | 0 | 0 | 0 | 110.6 | Q173 H174 G175 | Q173-L177 CarbonylContact C-O 3.12Å; Q173-L177 WeakPolarHBondContact CA-O 3.4Å; H174-L177 PolarHBondContact N-O 3.42Å; H174-L177 WeakPolarHBondContact O-CB 3.46Å; H174-L177 PolarHBondContact O-N 3.13Å; G175-L177 VanDerWaalsContact C-N 3.29Å |
| 178 | F | 98.3 | Very high | 97.8 | Very high | 111 Ų | 111 | 63 Ų | 63 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 120.8 | 170.4 | 174.8 | -111.2 | 0 | 0 | 0 | 110.2 | L168 K170 | L168-F178 HydrophobicContact CB-CE2 4.43Å; L168-F178 HydrophobicContact CD1-CD2 3.84Å; L168-F178 HydrophobicContact CD1-CE2 3.76Å; K170-F178 HydrophobicContact CB-CZ 4.34Å |
| 179 | M | 98.4 | Very high | 97.8 | Very high | 38 Ų | 38 | 61.5 Ų | 61.5 | 19% | 0.187 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 109 | 175.7 | -173.7 | -179.8 | 66.4 | 0 | 0 | 109.3 | Y69 F159 G171 F172 M184 | Y69-M179 HydrophobicContact CE1-SD 4.02Å; F159-M179 HydrophobicContact CD1-CE 4.13Å; F159-M179 HydrophobicContact CD2-CE 3.7Å; F159-M179 HydrophobicContact CE1-CE 3.9Å; F159-M179 HydrophobicContact CE2-CE 3.5Å; F159-M179 VanDerWaalsContact CE2-CE 3.5Å; F159-M179 HydrophobicContact CG-CE 4.06Å; F159-M179 HydrophobicContact CZ-CE 3.59Å; F159-M179 HydrophobicContact CZ-SD 4.42Å; G171-M179 CarbonylContact C-O 3.58Å; G171-M179 VanDerWaalsContact CA-O 3.29Å; G171-M179 WeakPolarHBondContact CA-O 3.38Å; F172-M179 HydrophobicContact CD2-CE 3.96Å; F172-M179 PolarHBondContact N-O 2.88Å; F172-M179 PolarHBondContact O-N 3.19Å; M179-M184 HydrophobicContact CE-CB 4.5Å; M179-M184 HydrophobicContact CE-CG 4.36Å; M179-M184 HydrophobicContact CE-SD 3.85Å; M179-M184 HydrophobicContact CG-CB 4.34Å; M179-M184 HydrophobicContact SD-CB 4.29Å; M179-M184 HydrophobicContact SD-CG 4.41Å |
| 180 | S | 98.7 | Very high | 97.9 | Very high | 29 Ų | 29 | 58.2 Ų | 58.2 | 20% | 0.203 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 155.4 | 176.1 | 72.3 | 0 | 0 | 0 | 0 | 111.7 | K170 R182 S183 M184 | K170-S180 VanDerWaalsContact O-CA 3.29Å; K170-S180 WeakPolarHBondContact O-CA 3.34Å; S180-R182 PolarHBondContact O-N 3.46Å; S180-S183 PolarHBondContact N-OG 3.17Å; S180-S183 VanDerWaalsContact N-OG 3.11Å; S180-S183 PolarHBondContact O-N 2.9Å; S180-S183 PolarHBondContact O-OG 2.95Å; S180-S183 WeakPolarHBondContact OG-CB 3.47Å; S180-S183 PolarHBondContact OG-N 3.09Å; S180-S183 PolarHBondContact OG-OG 3.04Å; S180-M184 WeakPolarHBondContact O-CB 3.48Å; S180-M184 PolarHBondContact O-N 3.32Å |
| 181 | Y | 98.8 | Very high | 97.9 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 2% | 0.024 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.9 | -34.8 | 170 | -68 | -59.5 | 0 | 0 | 0 | 112.3 | K91 L93 G94 H110 Y152 V156 K170 F172 M184 F185 | K91-Y181 CarbonylContact O-C 3.58Å; K91-Y181 WeakPolarHBondContact O-CB 3.23Å; L93-Y181 WeakPolarHBondContact O-CE2 3.42Å; G94-Y181 VanDerWaalsContact CA-CD1 3.4Å; G94-Y181 VanDerWaalsContact N-CD2 3.33Å; H110-Y181 AromaticContact CE1-CZ 3.6Å; H110-Y181 PolarHBondContact CE1-OH 3Å; H110-Y181 PolarHBondContact NE2-OH 3.13Å; Y152-Y181 WeakPolarHBondContact OH-CB 3.38Å; Y152-Y181 PolarHBondContact OH-O 3.2Å; V156-Y181 HydrophobicContact CG1-CE1 4.32Å; V156-Y181 HydrophobicContact CG2-CD1 4.29Å; V156-Y181 HydrophobicContact CG2-CE1 4.18Å; K170-Y181 VanDerWaalsContact C-CE2 3.45Å; K170-Y181 WeakPolarHBondContact O-CD2 3.33Å; K170-Y181 PolarHBondContact O-N 3.24Å; F172-Y181 HydrophobicContact CD2-CE1 4.28Å; F172-Y181 HydrophobicContact CE2-CD1 4.11Å; F172-Y181 AromaticContact CE2-CE1 3.39Å; F172-Y181 HydrophobicContact CE2-CE1 3.39Å; F172-Y181 AromaticContact CZ-CE1 3.57Å; F172-Y181 HydrophobicContact CZ-CE1 3.57Å; F172-Y181 AromaticContact CZ-CZ 3.98Å; Y181-M184 HydrophobicContact CD1-CE 3.95Å; Y181-M184 PolarHBondContact O-N 2.79Å; Y181-F185 WeakPolarHBondContact O-CB 3.17Å; Y181-F185 PolarHBondContact O-N 3.27Å |
| 182 | R | 98.6 | Very high | 97.7 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 31% | 0.309 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.6 | -51.1 | 177 | 179 | 178.7 | -71.3 | -111.2 | 7.5 | 111.8 | K91 D135 S180 M184 F185 Q186 | K91-R182 HydrophobicContact CB-CB 4.1Å; K91-R182 HydrophobicContact CB-CG 4.29Å; K91-R182 WeakPolarHBondContact O-CA 3.44Å; K91-R182 WeakPolarHBondContact O-CB 3.33Å; K91-R182 PolarHBondContact O-N 3.01Å; D135-R182 VanDerWaalsContact O-CZ 3.22Å; D135-R182 PolarHBondContact O-NH1 3.47Å; D135-R182 PolarHBondContact O-NH2 3.27Å; D135-R182 IonicContact OD1-CZ 3.1Å; D135-R182 IonicContact OD1-NH1 3.87Å; D135-R182 PolarHBondContact OD1-NH1 2.86Å; D135-R182 IonicContact OD1-NH2 2.72Å; D135-R182 IonicContact OD2-CZ 2.77Å; D135-R182 IonicContact OD2-NH1 2.78Å; D135-R182 PolarHBondContact OD2-NH1 3.32Å; D135-R182 IonicContact OD2-NH2 3.43Å; D135-R182 PolarHBondContact OD2-NH2 2.86Å; S180-R182 PolarHBondContact O-N 3.46Å; R182-M184 VanDerWaalsContact C-N 3.32Å; R182-F185 PolarHBondContact O-N 3.23Å; R182-Q186 WeakPolarHBondContact O-CB 3.29Å; R182-Q186 PolarHBondContact O-N 2.93Å |
| 183 | S | 98.4 | Very high | 97.4 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 30% | 0.301 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 178.6 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | S180 F185 Q186 D187 | S180-S183 PolarHBondContact N-OG 3.17Å; S180-S183 VanDerWaalsContact N-OG 3.11Å; S180-S183 PolarHBondContact O-N 2.9Å; S180-S183 PolarHBondContact O-OG 2.95Å; S180-S183 WeakPolarHBondContact OG-CB 3.47Å; S180-S183 PolarHBondContact OG-N 3.09Å; S180-S183 PolarHBondContact OG-OG 3.04Å; S183-F185 PolarHBondContact O-N 3.16Å; S183-Q186 WeakPolarHBondContact O-CB 3.37Å; S183-Q186 PolarHBondContact O-N 3.16Å; S183-Q186 VanDerWaalsContact O-N 3.16Å; S183-D187 VanDerWaalsContact O-CG 3.27Å; S183-D187 PolarHBondContact O-N 2.88Å |
| 184 | M | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 175.5 | -174.5 | 178.5 | 74.9 | 0 | 0 | 112.5 | Y69 Y152 L155 V156 F159 F172 M179 S180 Y181 R182 Q186 D187 V188 | Y69-M184 HydrophobicContact CE1-CG 4.21Å; Y69-M184 WeakPolarHBondContact OH-CA 3.32Å; Y152-M184 HydrophobicContact CD2-CE 4.02Å; Y152-M184 HydrophobicContact CE1-CE 4.48Å; Y152-M184 HydrophobicContact CE2-CE 3.41Å; Y152-M184 VanDerWaalsContact CE2-CE 3.41Å; L155-M184 HydrophobicContact CB-CE 4.2Å; L155-M184 HydrophobicContact CB-SD 3.77Å; L155-M184 HydrophobicContact CD1-CG 4.13Å; L155-M184 HydrophobicContact CD1-SD 4.4Å; V156-M184 HydrophobicContact CG2-CE 3.53Å; F159-M184 HydrophobicContact CD2-SD 3.96Å; F159-M184 HydrophobicContact CE2-SD 4.04Å; F172-M184 HydrophobicContact CE2-SD 4.47Å; M179-M184 HydrophobicContact CE-CB 4.5Å; M179-M184 HydrophobicContact CE-CG 4.36Å; M179-M184 HydrophobicContact CE-SD 3.85Å; M179-M184 HydrophobicContact CG-CB 4.34Å; M179-M184 HydrophobicContact SD-CB 4.29Å; M179-M184 HydrophobicContact SD-CG 4.41Å; S180-M184 WeakPolarHBondContact O-CB 3.48Å; S180-M184 PolarHBondContact O-N 3.32Å; Y181-M184 HydrophobicContact CD1-CE 3.95Å; Y181-M184 PolarHBondContact O-N 2.79Å; R182-M184 VanDerWaalsContact C-N 3.32Å; M184-Q186 VanDerWaalsContact C-N 3.35Å; M184-D187 PolarHBondContact O-N 3.1Å; M184-V188 WeakPolarHBondContact O-CG2 3.34Å; M184-V188 PolarHBondContact O-N 3.08Å |
| 185 | F | 98.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.022 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 174.2 | 179.3 | -114.1 | 0 | 0 | 0 | 112 | L89 K91 Y138 Y152 Y181 R182 S183 D187 V188 R189 | L89-F185 HydrophobicContact CD1-CD2 3.29Å; L89-F185 HydrophobicContact CD1-CE2 3.52Å; L89-F185 HydrophobicContact CD1-CG 4.01Å; L89-F185 HydrophobicContact CD1-CZ 4.37Å; L89-F185 HydrophobicContact CD2-CB 4.1Å; L89-F185 HydrophobicContact CD2-CD1 3.99Å; L89-F185 HydrophobicContact CD2-CD2 3.83Å; L89-F185 HydrophobicContact CD2-CE1 4.39Å; L89-F185 HydrophobicContact CD2-CE2 4.27Å; L89-F185 HydrophobicContact CD2-CG 3.67Å; L89-F185 HydrophobicContact CG-CD2 4.2Å; L89-F185 HydrophobicContact CG-CE2 4.42Å; K91-F185 HydrophobicContact CD-CD1 3.79Å; K91-F185 HydrophobicContact CD-CE1 4.21Å; K91-F185 HydrophobicContact CG-CD1 3.75Å; K91-F185 HydrophobicContact CG-CE1 4.39Å; K91-F185 HydrophobicContact CG-CG 4.38Å; Y138-F185 HydrophobicContact CD1-CE1 4.09Å; Y138-F185 HydrophobicContact CD1-CE2 4.46Å; Y138-F185 AromaticContact CD1-CZ 3.47Å; Y138-F185 HydrophobicContact CD1-CZ 3.47Å; Y138-F185 VanDerWaalsContact CD1-CZ 3.47Å; Y138-F185 AromaticContact CD2-CE1 3.98Å; Y138-F185 HydrophobicContact CD2-CE1 3.98Å; Y138-F185 HydrophobicContact CD2-CZ 4.15Å; Y138-F185 AromaticContact CE1-CZ 3.95Å; Y138-F185 HydrophobicContact CE1-CZ 3.95Å; Y138-F185 AromaticContact CG-CE1 3.67Å; Y138-F185 HydrophobicContact CG-CE1 3.67Å; Y138-F185 AromaticContact CG-CZ 3.57Å; Y138-F185 HydrophobicContact CG-CZ 3.57Å; Y152-F185 HydrophobicContact CD2-CB 4.24Å; Y152-F185 HydrophobicContact CD2-CD2 4.05Å; Y152-F185 HydrophobicContact CE2-CB 3.65Å; Y152-F185 HydrophobicContact CE2-CD2 4.2Å; Y152-F185 HydrophobicContact CE2-CG 4.38Å; Y181-F185 WeakPolarHBondContact O-CB 3.17Å; Y181-F185 PolarHBondContact O-N 3.27Å; R182-F185 PolarHBondContact O-N 3.23Å; S183-F185 PolarHBondContact O-N 3.16Å; F185-D187 VanDerWaalsContact C-N 3.33Å; F185-D187 PolarHBondContact O-N 3.11Å; F185-V188 PolarHBondContact O-N 3.35Å; F185-R189 HydrophobicContact CD1-CG 4.23Å; F185-R189 HydrophobicContact CD2-CG 4.5Å; F185-R189 HydrophobicContact CE1-CG 3.72Å; F185-R189 HydrophobicContact CE2-CG 4Å; F185-R189 HydrophobicContact CZ-CG 3.59Å; F185-R189 WeakPolarHBondContact O-CG 3.33Å; F185-R189 PolarHBondContact O-N 2.95Å |
| 186 | Q | 98.4 | Very high | 96.7 | Very high | 93 Ų | 93 | 52.3 Ų | 52.3 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.1 | -43.4 | 175.6 | -169.7 | 62.3 | 53.4 | 0 | 0 | 111 | R182 S183 M184 V188 R189 D190 | R182-Q186 WeakPolarHBondContact O-CB 3.29Å; R182-Q186 PolarHBondContact O-N 2.93Å; S183-Q186 WeakPolarHBondContact O-CB 3.37Å; S183-Q186 PolarHBondContact O-N 3.16Å; S183-Q186 VanDerWaalsContact O-N 3.16Å; M184-Q186 VanDerWaalsContact C-N 3.35Å; Q186-V188 VanDerWaalsContact C-N 3.3Å; Q186-V188 PolarHBondContact O-N 3.35Å; Q186-R189 WeakPolarHBondContact O-CB 3.43Å; Q186-R189 PolarHBondContact O-N 2.86Å; Q186-R189 VanDerWaalsContact O-N 3.12Å; Q186-D190 PolarHBondContact NE2-OD1 3.26Å; Q186-D190 WeakPolarHBondContact O-CB 3.47Å; Q186-D190 PolarHBondContact O-N 3Å |
| 187 | D | 98.5 | Very high | 96.2 | Very high | 50 Ų | 50 | 50.9 Ų | 50.9 | 27% | 0.267 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61 | -38.7 | 176.2 | -64 | -22.9 | 0 | 0 | 0 | 112.1 | M64 I67 Y69 S183 M184 F185 D190 A191 | M64-D187 HydrophobicContact CE-CB 3.88Å; M64-D187 HydrophobicContact SD-CB 4.48Å; I67-D187 HydrophobicContact CD1-CB 4.39Å; Y69-D187 HydrophobicContact CE2-CB 3.99Å; Y69-D187 WeakPolarHBondContact CE2-OD2 3.26Å; Y69-D187 WeakPolarHBondContact OH-CB 3.23Å; Y69-D187 PolarHBondContact OH-OD2 2.87Å; S183-D187 VanDerWaalsContact O-CG 3.27Å; S183-D187 PolarHBondContact O-N 2.88Å; M184-D187 PolarHBondContact O-N 3.1Å; F185-D187 VanDerWaalsContact C-N 3.33Å; F185-D187 PolarHBondContact O-N 3.11Å; D187-D190 PolarHBondContact O-N 2.87Å; D187-A191 VanDerWaalsContact O-CB 3.25Å; D187-A191 WeakPolarHBondContact O-CB 3.44Å; D187-A191 PolarHBondContact O-N 3.2Å |
| 188 | V | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64 | -43 | 174.5 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | M64 E148 L151 L155 M184 F185 Q186 A191 M192 | M64-V188 HydrophobicContact CE-CG2 3.77Å; M64-V188 HydrophobicContact SD-CG2 4.2Å; E148-V188 HydrophobicContact CB-CG1 4.13Å; E148-V188 HydrophobicContact CG-CG1 4.23Å; L151-V188 HydrophobicContact CD2-CG1 4.46Å; L151-V188 HydrophobicContact CD2-CG2 4.49Å; L155-V188 HydrophobicContact CD1-CG2 3.61Å; M184-V188 WeakPolarHBondContact O-CG2 3.34Å; M184-V188 PolarHBondContact O-N 3.08Å; F185-V188 PolarHBondContact O-N 3.35Å; Q186-V188 VanDerWaalsContact C-N 3.3Å; Q186-V188 PolarHBondContact O-N 3.35Å; V188-A191 PolarHBondContact O-N 3.19Å; V188-M192 PolarHBondContact O-N 2.89Å |
| 189 | R | 97.1 | Very high | 95.4 | Very high | 40 Ų | 40 | 43.5 Ų | 43.5 | 15% | 0.151 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.2 | -47.3 | 176.1 | -73.8 | -56.4 | -48.2 | 166.6 | 6.4 | 111.5 | E148 F185 Q186 A191 M192 D193 | E148-R189 WeakPolarHBondContact OE1-CD 3.46Å; E148-R189 IonicContact OE1-CZ 3.7Å; E148-R189 IonicContact OE1-NE 3.73Å; E148-R189 IonicContact OE1-NH1 2.78Å; E148-R189 PolarHBondContact OE1-NH1 3.38Å; E148-R189 IonicContact OE2-NH1 3.29Å; E148-R189 PolarHBondContact OE2-NH1 3.04Å; F185-R189 HydrophobicContact CD1-CG 4.23Å; F185-R189 HydrophobicContact CD2-CG 4.5Å; F185-R189 HydrophobicContact CE1-CG 3.72Å; F185-R189 HydrophobicContact CE2-CG 4Å; F185-R189 HydrophobicContact CZ-CG 3.59Å; F185-R189 WeakPolarHBondContact O-CG 3.33Å; F185-R189 PolarHBondContact O-N 2.95Å; Q186-R189 WeakPolarHBondContact O-CB 3.43Å; Q186-R189 PolarHBondContact O-N 2.86Å; Q186-R189 VanDerWaalsContact O-N 3.12Å; R189-A191 VanDerWaalsContact C-N 3.27Å; R189-A191 PolarHBondContact O-N 2.85Å; R189-M192 WeakPolarHBondContact O-CB 3.32Å; R189-M192 PolarHBondContact O-N 2.91Å; R189-M192 VanDerWaalsContact O-N 3.12Å; R189-D193 IonicContact NH2-OD1 2.68Å; R189-D193 PolarHBondContact NH2-OD1 3.32Å; R189-D193 WeakPolarHBondContact O-CB 3.44Å; R189-D193 VanDerWaalsContact O-CG 3.24Å; R189-D193 PolarHBondContact O-N 3.25Å |
| 190 | D | 97.5 | Very high | 95.1 | Very high | 77 Ų | 77 | 43.8 Ų | 43.8 | 41% | 0.412 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.8 | -34 | 179.2 | -65.8 | -7.1 | 0 | 0 | 0 | 111.2 | Q186 D187 F194 | Q186-D190 PolarHBondContact NE2-OD1 3.26Å; Q186-D190 WeakPolarHBondContact O-CB 3.47Å; Q186-D190 PolarHBondContact O-N 3Å; D187-D190 PolarHBondContact O-N 2.87Å; D190-F194 VanDerWaalsContact O-CB 3.23Å; D190-F194 WeakPolarHBondContact O-CB 3.46Å; D190-F194 PolarHBondContact O-N 3.37Å |
| 191 | A | 97.4 | Very high | 94.8 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.8 | -42.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | L60 R63 M64 D187 V188 R189 I195 | L60-A191 HydrophobicContact CD2-CB 4.2Å; R63-A191 HydrophobicContact CB-CB 4.27Å; R63-A191 HydrophobicContact CG-CB 3.62Å; M64-A191 HydrophobicContact SD-CB 3.77Å; D187-A191 VanDerWaalsContact O-CB 3.25Å; D187-A191 WeakPolarHBondContact O-CB 3.44Å; D187-A191 PolarHBondContact O-N 3.2Å; V188-A191 PolarHBondContact O-N 3.19Å; R189-A191 VanDerWaalsContact C-N 3.27Å; R189-A191 PolarHBondContact O-N 2.85Å; A191-I195 WeakPolarHBondContact O-CD1 3.44Å; A191-I195 VanDerWaalsContact O-CG1 3.26Å; A191-I195 WeakPolarHBondContact O-CG1 3.42Å; A191-I195 PolarHBondContact O-N 3.31Å |
| 192 | M | 94.6 | Very high | 94.5 | Very high | 10 Ų | 10 | 44.1 Ų | 44.1 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.4 | -47.1 | 175.5 | -175.8 | 53.6 | 88.5 | 0 | 0 | 111.6 | L60 E148 V188 R189 F194 I195 H196 | L60-M192 HydrophobicContact CD1-CE 3.54Å; L60-M192 HydrophobicContact CD2-CB 3.75Å; L60-M192 HydrophobicContact CD2-CE 3.84Å; L60-M192 HydrophobicContact CD2-CG 4.49Å; L60-M192 HydrophobicContact CD2-SD 4.14Å; L60-M192 HydrophobicContact CG-CE 3.88Å; E148-M192 HydrophobicContact CG-CB 4.41Å; E148-M192 HydrophobicContact CG-CE 3.56Å; E148-M192 HydrophobicContact CG-CG 4.42Å; E148-M192 WeakPolarHBondContact OE1-CB 3.36Å; V188-M192 PolarHBondContact O-N 2.89Å; R189-M192 WeakPolarHBondContact O-CB 3.32Å; R189-M192 PolarHBondContact O-N 2.91Å; R189-M192 VanDerWaalsContact O-N 3.12Å; M192-F194 VanDerWaalsContact C-N 3.3Å; M192-F194 PolarHBondContact O-N 3.44Å; M192-I195 PolarHBondContact O-N 2.94Å; M192-I195 VanDerWaalsContact O-N 3.13Å; M192-H196 PolarHBondContact O-CD2 3.45Å; M192-H196 VanDerWaalsContact O-CD2 3.29Å; M192-H196 PolarHBondContact O-N 2.95Å; M192-H196 VanDerWaalsContact SD-CD2 3.59Å; M192-H196 PolarHBondContact SD-NE2 3.5Å |
| 193 | D | 92.1 | Very high | 94.3 | Very high | 62 Ų | 62 | 45.1 Ų | 45.1 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 178.3 | -66.2 | -11.4 | 0 | 0 | 0 | 109.8 | R189 I195 H196 D197 | R189-D193 IonicContact NH2-OD1 2.68Å; R189-D193 PolarHBondContact NH2-OD1 3.32Å; R189-D193 WeakPolarHBondContact O-CB 3.44Å; R189-D193 VanDerWaalsContact O-CG 3.24Å; R189-D193 PolarHBondContact O-N 3.25Å; D193-I195 PolarHBondContact O-N 3.41Å; D193-H196 PolarHBondContact O-N 3.33Å; D193-D197 VanDerWaalsContact O-CB 3.29Å; D193-D197 WeakPolarHBondContact O-CB 3.48Å; D193-D197 VanDerWaalsContact O-CG 3.22Å; D193-D197 PolarHBondContact O-N 3.3Å |
| 194 | F | 95 | Very high | 94.2 | Very high | 84 Ų | 84 | 46.5 Ų | 46.5 | 37% | 0.368 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.2 | -46.4 | 172.3 | 177.2 | -92.3 | 0 | 0 | 0 | 112.7 | R63 D190 M192 H196 D197 T198 | R63-F194 HydrophobicContact CG-CD1 4.24Å; D190-F194 VanDerWaalsContact O-CB 3.23Å; D190-F194 WeakPolarHBondContact O-CB 3.46Å; D190-F194 PolarHBondContact O-N 3.37Å; M192-F194 VanDerWaalsContact C-N 3.3Å; M192-F194 PolarHBondContact O-N 3.44Å; F194-H196 VanDerWaalsContact C-N 3.29Å; F194-H196 PolarHBondContact O-N 3.16Å; F194-D197 PolarHBondContact O-N 2.89Å; F194-T198 HydrophobicContact CD1-CG2 4.16Å; F194-T198 HydrophobicContact CD2-CG2 4.02Å; F194-T198 HydrophobicContact CE1-CG2 3.82Å; F194-T198 HydrophobicContact CE2-CG2 3.66Å; F194-T198 HydrophobicContact CG-CG2 4.27Å; F194-T198 HydrophobicContact CZ-CG2 3.56Å; F194-T198 WeakPolarHBondContact O-CB 3.37Å; F194-T198 WeakPolarHBondContact O-CG2 3.26Å; F194-T198 PolarHBondContact O-N 3.12Å; F194-T198 PolarHBondContact O-OG1 3.39Å |
| 195 | I | 93.8 | Very high | 94.1 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.7 | -36 | -179.9 | -72.3 | 161.1 | 0 | 0 | 0 | 111.7 | L59 L60 R63 A191 M192 D193 T198 G199 T200 L201 | L59-I195 HydrophobicContact CB-CD1 3.84Å; L59-I195 HydrophobicContact CB-CG1 4.43Å; L59-I195 HydrophobicContact CB-CG2 4.5Å; L59-I195 HydrophobicContact CD1-CG2 4.21Å; L60-I195 HydrophobicContact CB-CD1 4.35Å; L60-I195 HydrophobicContact CD2-CD1 3.76Å; L60-I195 HydrophobicContact CG-CD1 3.97Å; R63-I195 HydrophobicContact CB-CD1 4.3Å; A191-I195 WeakPolarHBondContact O-CD1 3.44Å; A191-I195 VanDerWaalsContact O-CG1 3.26Å; A191-I195 WeakPolarHBondContact O-CG1 3.42Å; A191-I195 PolarHBondContact O-N 3.31Å; M192-I195 PolarHBondContact O-N 2.94Å; M192-I195 VanDerWaalsContact O-N 3.13Å; D193-I195 PolarHBondContact O-N 3.41Å; I195-T198 PolarHBondContact O-OG1 3.41Å; I195-G199 PolarHBondContact O-N 2.88Å; I195-T200 PolarHBondContact O-N 3.43Å; I195-L201 HydrophobicContact CG2-CB 3.63Å |
| 196 | H | 87.1 | Confident | 94 | Very high | 60 Ų | 60 | 49.6 Ų | 49.6 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -72.4 | -44.1 | 174.7 | -79.2 | -65.1 | 0 | 0 | 0 | 112.1 | M192 D193 F194 G199 | M192-H196 PolarHBondContact O-CD2 3.45Å; M192-H196 VanDerWaalsContact O-CD2 3.29Å; M192-H196 PolarHBondContact O-N 2.95Å; M192-H196 VanDerWaalsContact SD-CD2 3.59Å; M192-H196 PolarHBondContact SD-NE2 3.5Å; D193-H196 PolarHBondContact O-N 3.33Å; F194-H196 VanDerWaalsContact C-N 3.29Å; F194-H196 PolarHBondContact O-N 3.16Å; H196-G199 PolarHBondContact O-N 3.5Å; H196-G199 VanDerWaalsContact O-N 3.09Å |
| 197 | D | 86.7 | Confident | 93.9 | Very high | 142 Ų | 142 | 52.2 Ų | 52.2 | 76% | 0.759 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -69.9 | -38.1 | -176.8 | -74.8 | -12.7 | 0 | 0 | 0 | 112.6 | D193 F194 G199 | D193-D197 VanDerWaalsContact O-CB 3.29Å; D193-D197 WeakPolarHBondContact O-CB 3.48Å; D193-D197 VanDerWaalsContact O-CG 3.22Å; D193-D197 PolarHBondContact O-N 3.3Å; F194-D197 PolarHBondContact O-N 2.89Å; D197-G199 PolarHBondContact O-N 3.35Å |
| 198 | T | 89.7 | Confident | 93.7 | Very high | 66 Ų | 66 | 53 Ų | 53 | 41% | 0.405 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -12.3 | 171.8 | 61.4 | 0 | 0 | 0 | 0 | 112.6 | F194 I195 T200 | F194-T198 HydrophobicContact CD1-CG2 4.16Å; F194-T198 HydrophobicContact CD2-CG2 4.02Å; F194-T198 HydrophobicContact CE1-CG2 3.82Å; F194-T198 HydrophobicContact CE2-CG2 3.66Å; F194-T198 HydrophobicContact CG-CG2 4.27Å; F194-T198 HydrophobicContact CZ-CG2 3.56Å; F194-T198 WeakPolarHBondContact O-CB 3.37Å; F194-T198 WeakPolarHBondContact O-CG2 3.26Å; F194-T198 PolarHBondContact O-N 3.12Å; F194-T198 PolarHBondContact O-OG1 3.39Å; I195-T198 PolarHBondContact O-OG1 3.41Å; T198-T200 PolarHBondContact O-N 2.81Å; T198-T200 PolarHBondContact OG1-N 2.87Å; T198-T200 PolarHBondContact OG1-OG1 2.83Å |
| 199 | G | 88.4 | Confident | 93.6 | Very high | 19 Ų | 19 | 54.2 Ų | 54.2 | 20% | 0.196 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.8 | 11.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | I195 H196 D197 L201 K202 E203 | I195-G199 PolarHBondContact O-N 2.88Å; H196-G199 PolarHBondContact O-N 3.5Å; H196-G199 VanDerWaalsContact O-N 3.09Å; D197-G199 PolarHBondContact O-N 3.35Å; G199-L201 VanDerWaalsContact C-N 3.34Å; G199-L201 PolarHBondContact O-N 3.12Å; G199-K202 WeakPolarHBondContact O-CB 3.44Å; G199-K202 PolarHBondContact O-N 3.29Å; G199-K202 VanDerWaalsContact O-N 3.13Å; G199-E203 WeakPolarHBondContact O-CB 3.46Å; G199-E203 PolarHBondContact O-N 3.21Å |
| 200 | T | 92.2 | Very high | 93.6 | Very high | 43 Ų | 43 | 58.7 Ų | 58.7 | 26% | 0.264 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | -175.3 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | L59 I195 T198 K202 E203 Q204 | L59-T200 HydrophobicContact CD1-CG2 4.46Å; L59-T200 HydrophobicContact CD2-CG2 3.96Å; I195-T200 PolarHBondContact O-N 3.43Å; T198-T200 PolarHBondContact O-N 2.81Å; T198-T200 PolarHBondContact OG1-N 2.87Å; T198-T200 PolarHBondContact OG1-OG1 2.83Å; T200-K202 PolarHBondContact O-N 2.99Å; T200-E203 PolarHBondContact O-N 2.84Å; T200-Q204 WeakPolarHBondContact O-CG 3.4Å; T200-Q204 PolarHBondContact O-N 3.49Å |
| 201 | L | 92.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.031 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 176.3 | -179.3 | 69.5 | 0 | 0 | 0 | 111.3 | M55 L59 I195 G199 Q204 T205 | M55-L201 HydrophobicContact CE-CD1 3.47Å; M55-L201 VanDerWaalsContact CE-CD1 3.47Å; M55-L201 HydrophobicContact CE-CG 4.48Å; L59-L201 HydrophobicContact CD1-CB 4.24Å; L59-L201 HydrophobicContact CD1-CD1 3.9Å; I195-L201 HydrophobicContact CG2-CB 3.63Å; G199-L201 VanDerWaalsContact C-N 3.34Å; G199-L201 PolarHBondContact O-N 3.12Å; L201-Q204 PolarHBondContact O-N 3.13Å; L201-T205 WeakPolarHBondContact O-CB 3.46Å; L201-T205 PolarHBondContact O-N 3.05Å; L201-T205 PolarHBondContact O-OG1 3.42Å |
| 202 | K | 92.5 | Very high | 93.6 | Very high | 37 Ų | 37 | 60 Ų | 60 | 16% | 0.161 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 179.5 | -72.6 | 177.4 | 168.6 | 172.1 | 0 | 111.6 | G199 T200 T205 I206 D239 Y242 | G199-K202 WeakPolarHBondContact O-CB 3.44Å; G199-K202 PolarHBondContact O-N 3.29Å; G199-K202 VanDerWaalsContact O-N 3.13Å; T200-K202 PolarHBondContact O-N 2.99Å; K202-T205 WeakPolarHBondContact O-CB 3.35Å; K202-T205 PolarHBondContact O-N 3.02Å; K202-I206 WeakPolarHBondContact O-CG1 3.47Å; K202-I206 PolarHBondContact O-N 3.42Å; K202-D239 IonicContact NZ-OD2 3.56Å; K202-D239 PolarHBondContact NZ-OD2 2.83Å; K202-Y242 HydrophobicContact CB-CD2 3.44Å; K202-Y242 VanDerWaalsContact CB-CD2 3.44Å; K202-Y242 HydrophobicContact CB-CE2 3.62Å; K202-Y242 HydrophobicContact CB-CG 4.18Å; K202-Y242 HydrophobicContact CD-CD1 4.12Å; K202-Y242 HydrophobicContact CD-CD2 3.85Å; K202-Y242 HydrophobicContact CD-CE2 4.43Å; K202-Y242 HydrophobicContact CD-CG 3.67Å; K202-Y242 HydrophobicContact CG-CD1 4.17Å; K202-Y242 HydrophobicContact CG-CD2 3.48Å; K202-Y242 VanDerWaalsContact CG-CD2 3.48Å; K202-Y242 HydrophobicContact CG-CE1 4.28Å; K202-Y242 HydrophobicContact CG-CE2 3.61Å; K202-Y242 HydrophobicContact CG-CG 3.78Å |
| 203 | E | 94.2 | Very high | 93.8 | Very high | 103 Ų | 103 | 59.5 Ų | 59.5 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 177.4 | -168.3 | -165.8 | 156.2 | 0 | 0 | 111.5 | G199 T200 T205 I206 K207 | G199-E203 WeakPolarHBondContact O-CB 3.46Å; G199-E203 PolarHBondContact O-N 3.21Å; T200-E203 PolarHBondContact O-N 2.84Å; E203-T205 VanDerWaalsContact C-N 3.29Å; E203-T205 PolarHBondContact O-N 3.13Å; E203-I206 PolarHBondContact O-N 3.42Å; E203-K207 WeakPolarHBondContact O-CG 3.47Å; E203-K207 PolarHBondContact O-N 2.95Å; E203-K207 WeakPolarHBondContact OE1-CE 3.32Å; E203-K207 IonicContact OE1-NZ 3.43Å; E203-K207 PolarHBondContact OE1-NZ 2.9Å |
| 204 | Q | 95.2 | Very high | 94 | Very high | 71 Ų | 71 | 59.4 Ų | 59.4 | 33% | 0.332 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 176.7 | -71.6 | -163.5 | -5.6 | 0 | 0 | 112.5 | M55 T200 L201 K207 | M55-Q204 HydrophobicContact SD-CB 3.64Å; T200-Q204 WeakPolarHBondContact O-CG 3.4Å; T200-Q204 PolarHBondContact O-N 3.49Å; L201-Q204 PolarHBondContact O-N 3.13Å; Q204-K207 PolarHBondContact O-N 2.93Å |
| 205 | T | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.8 | -49.6 | 175.6 | -53.6 | 0 | 0 | 0 | 0 | 111.1 | Y47 Y52 L201 K202 E203 K207 N208 L209 V213 | Y47-T205 HydrophobicContact CE1-CG2 4.03Å; Y52-T205 HydrophobicContact CE2-CG2 3.92Å; Y52-T205 WeakPolarHBondContact CE2-OG1 3.38Å; L201-T205 WeakPolarHBondContact O-CB 3.46Å; L201-T205 PolarHBondContact O-N 3.05Å; L201-T205 PolarHBondContact O-OG1 3.42Å; K202-T205 WeakPolarHBondContact O-CB 3.35Å; K202-T205 PolarHBondContact O-N 3.02Å; E203-T205 VanDerWaalsContact C-N 3.29Å; E203-T205 PolarHBondContact O-N 3.13Å; T205-K207 VanDerWaalsContact C-N 3.29Å; T205-K207 PolarHBondContact O-N 3.33Å; T205-N208 CarbonylContact O-C 3.57Å; T205-N208 VanDerWaalsContact O-C 3.24Å; T205-N208 PolarHBondContact O-N 3.49Å; T205-N208 VanDerWaalsContact O-N 3.15Å; T205-L209 HydrophobicContact CG2-CD2 4.26Å; T205-L209 PolarHBondContact O-N 3.35Å; T205-V213 HydrophobicContact CG2-CG2 4.23Å |
| 206 | I | 96.1 | Very high | 93.9 | Very high | 70 Ų | 70 | 61.2 Ų | 61.2 | 36% | 0.359 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.4 | -34.3 | -179 | -68.1 | 167.2 | 0 | 0 | 0 | 111.6 | K202 E203 N208 Y242 A245 | K202-I206 WeakPolarHBondContact O-CG1 3.47Å; K202-I206 PolarHBondContact O-N 3.42Å; E203-I206 PolarHBondContact O-N 3.42Å; I206-N208 PolarHBondContact O-N 3.27Å; I206-Y242 HydrophobicContact CD1-CD2 3.7Å; I206-Y242 HydrophobicContact CD1-CE2 4.2Å; I206-Y242 HydrophobicContact CG1-CD2 4.1Å; I206-Y242 HydrophobicContact CG1-CE2 4.09Å; I206-A245 HydrophobicContact CD1-CB 3.73Å; I206-A245 HydrophobicContact CG1-CB 3.92Å; I206-A245 HydrophobicContact CG2-CB 4.39Å |
| 207 | K | 96.3 | Very high | 94.2 | Very high | 148 Ų | 148 | 62.3 Ų | 62.3 | 64% | 0.643 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.4 | -25.7 | 176.5 | -77.9 | 173.2 | -177.5 | 167.4 | 0 | 113.3 | E203 Q204 T205 | E203-K207 WeakPolarHBondContact O-CG 3.47Å; E203-K207 PolarHBondContact O-N 2.95Å; E203-K207 WeakPolarHBondContact OE1-CE 3.32Å; E203-K207 IonicContact OE1-NZ 3.43Å; E203-K207 PolarHBondContact OE1-NZ 2.9Å; Q204-K207 PolarHBondContact O-N 2.93Å; T205-K207 VanDerWaalsContact C-N 3.29Å; T205-K207 PolarHBondContact O-N 3.33Å |
| 208 | N | 96.1 | Very high | 94.5 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -148.9 | 67.8 | 178.5 | -164.7 | -17.6 | 0 | 0 | 0 | 112.4 | T205 I206 E210 K211 Y212 | T205-N208 CarbonylContact O-C 3.57Å; T205-N208 VanDerWaalsContact O-C 3.24Å; T205-N208 PolarHBondContact O-N 3.49Å; T205-N208 VanDerWaalsContact O-N 3.15Å; I206-N208 PolarHBondContact O-N 3.27Å; N208-E210 PolarHBondContact O-N 2.98Å; N208-K211 HydrophobicContact CB-CB 4.24Å; N208-K211 VanDerWaalsContact CG-CB 3.45Å; N208-K211 PolarHBondContact O-N 2.73Å; N208-K211 VanDerWaalsContact O-N 3.13Å; N208-K211 WeakPolarHBondContact OD1-CB 3.43Å; N208-K211 PolarHBondContact OD1-N 3.46Å; N208-K211 VanDerWaalsContact OD1-N 3.08Å; N208-Y212 HydrophobicContact CB-CD2 4.34Å; N208-Y212 HydrophobicContact CB-CE2 4.23Å; N208-Y212 WeakPolarHBondContact O-CD2 3.27Å; N208-Y212 PolarHBondContact O-N 2.91Å |
| 209 | L | 96.2 | Very high | 94.8 | Very high | 24 Ų | 24 | 56 Ų | 56 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -59 | -33.5 | -179.6 | -69.2 | 171 | 0 | 0 | 0 | 113 | T205 K211 Y212 V213 I246 Y249 | T205-L209 HydrophobicContact CG2-CD2 4.26Å; T205-L209 PolarHBondContact O-N 3.35Å; L209-K211 VanDerWaalsContact C-N 3.31Å; L209-K211 PolarHBondContact O-N 2.67Å; L209-Y212 PolarHBondContact O-N 3.2Å; L209-V213 HydrophobicContact CD2-CG2 3.93Å; L209-V213 WeakPolarHBondContact O-CB 3.41Å; L209-V213 PolarHBondContact O-N 3.3Å; L209-I246 HydrophobicContact CD2-CD1 3.55Å; L209-Y249 HydrophobicContact CB-CD1 4.29Å; L209-Y249 HydrophobicContact CB-CD2 3.84Å; L209-Y249 HydrophobicContact CB-CE1 4.31Å; L209-Y249 HydrophobicContact CB-CE2 3.86Å; L209-Y249 HydrophobicContact CB-CG 4.06Å; L209-Y249 HydrophobicContact CD1-CD2 3.93Å; L209-Y249 HydrophobicContact CD1-CG 3.86Å; L209-Y249 HydrophobicContact CG-CG 4.5Å |
| 210 | E | 95.7 | Very high | 95.1 | Very high | 135 Ų | 135 | 55.8 Ų | 55.8 | 63% | 0.631 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -66.6 | -32.6 | 178.6 | -70.9 | 141.1 | -173.3 | 0 | 0 | 112.8 | K48 N208 Y249 | K48-E210 WeakPolarHBondContact CE-O 3.46Å; K48-E210 PolarHBondContact NZ-O 2.8Å; N208-E210 PolarHBondContact O-N 2.98Å; E210-Y249 HydrophobicContact CG-CE2 4.07Å |
| 211 | K | 97.2 | Very high | 95.3 | Very high | 82 Ų | 82 | 56.5 Ų | 56.5 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -73.4 | -36.1 | 173.4 | -176.9 | -179.9 | 174.2 | -161.4 | 0 | 111.9 | K48 N208 L209 | K48-K211 WeakPolarHBondContact CD-O 3.49Å; N208-K211 HydrophobicContact CB-CB 4.24Å; N208-K211 VanDerWaalsContact CG-CB 3.45Å; N208-K211 PolarHBondContact O-N 2.73Å; N208-K211 VanDerWaalsContact O-N 3.13Å; N208-K211 WeakPolarHBondContact OD1-CB 3.43Å; N208-K211 PolarHBondContact OD1-N 3.46Å; N208-K211 VanDerWaalsContact OD1-N 3.08Å; L209-K211 VanDerWaalsContact C-N 3.31Å; L209-K211 PolarHBondContact O-N 2.67Å |
| 212 | Y | 97.9 | Very high | 95.5 | Very high | 23 Ų | 23 | 56.2 Ų | 56.2 | 9% | 0.09 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -105.9 | -21.9 | -165.6 | -65.8 | -54.9 | 0 | 0 | 0 | 115.6 | Y47 K48 D51 Y52 M55 N208 L209 | Y47-Y212 CarbonylContact C-O 3.59Å; Y47-Y212 WeakPolarHBondContact CA-O 3.49Å; K48-Y212 PolarHBondContact N-O 3.14Å; D51-Y212 HydrophobicContact CB-CD1 4.26Å; D51-Y212 HydrophobicContact CB-CE1 4.26Å; Y52-Y212 HydrophobicContact CD2-CD1 4.2Å; Y52-Y212 HydrophobicContact CD2-CG 4.29Å; M55-Y212 HydrophobicContact CB-CE1 4.13Å; M55-Y212 HydrophobicContact CE-CD1 4.27Å; M55-Y212 HydrophobicContact CE-CD2 4.5Å; M55-Y212 HydrophobicContact CE-CE1 4.22Å; M55-Y212 HydrophobicContact CE-CE2 4.42Å; M55-Y212 HydrophobicContact CE-CG 4.42Å; M55-Y212 HydrophobicContact SD-CD2 4.33Å; M55-Y212 HydrophobicContact SD-CE1 3.94Å; M55-Y212 HydrophobicContact SD-CE2 3.71Å; N208-Y212 HydrophobicContact CB-CD2 4.34Å; N208-Y212 HydrophobicContact CB-CE2 4.23Å; N208-Y212 WeakPolarHBondContact O-CD2 3.27Å; N208-Y212 PolarHBondContact O-N 2.91Å; L209-Y212 PolarHBondContact O-N 3.2Å |
| 213 | V | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -120.8 | 129.6 | -174 | -172.8 | 0 | 0 | 0 | 0 | 110 | Y47 K48 T205 L209 K215 I246 Y249 L250 | Y47-V213 HydrophobicContact CD1-CG2 3.94Å; Y47-V213 HydrophobicContact CE1-CG2 3.88Å; K48-V213 WeakPolarHBondContact CE-O 3.09Å; T205-V213 HydrophobicContact CG2-CG2 4.23Å; L209-V213 HydrophobicContact CD2-CG2 3.93Å; L209-V213 WeakPolarHBondContact O-CB 3.41Å; L209-V213 PolarHBondContact O-N 3.3Å; V213-K215 PolarHBondContact O-N 2.99Å; V213-I246 HydrophobicContact CG2-CD1 4.07Å; V213-Y249 HydrophobicContact CB-CD1 4.43Å; V213-Y249 HydrophobicContact CB-CE1 4.09Å; V213-Y249 HydrophobicContact CG1-CD1 4.31Å; V213-Y249 HydrophobicContact CG1-CE1 4.22Å; V213-L250 HydrophobicContact CG1-CD2 4.08Å |
| 214 | V | 96.3 | Very high | 95.8 | Very high | 61 Ų | 61 | 52 Ų | 52 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | trans | -70.8 | 126.4 | 171.7 | -178 | 0 | 0 | 0 | 0 | 108.5 | M46 K48 | M46-V214 HydrophobicContact CB-CB 4.07Å; M46-V214 HydrophobicContact CB-CG2 4.14Å; M46-V214 HydrophobicContact CG-CG2 4.26Å; M46-V214 PolarHBondContact O-N 3.01Å; K48-V214 HydrophobicContact CG-CG2 3.71Å | ||
| 215 | K | 93.8 | Very high | 95.9 | Very high | 85 Ų | 85 | 54.2 Ų | 54.2 | 37% | 0.37 | 27% | 0.271 | S | S | . | . | trans | -103.9 | 107 | 175.9 | -170 | 175.3 | -179.3 | 176.9 | 0 | 109.7 | V213 Y249 S253 | V213-K215 PolarHBondContact O-N 2.99Å; K215-Y249 HydrophobicContact CB-CE1 3.81Å; K215-Y249 HydrophobicContact CD-CE1 4.04Å; K215-Y249 HydrophobicContact CD-CE2 4.14Å; K215-Y249 WeakPolarHBondContact CE-O 3.45Å; K215-Y249 HydrophobicContact CG-CE1 4.12Å; K215-S253 VanDerWaalsContact CE-CB 3.49Å | ||
| 216 | D | 93.3 | Very high | 96 | Very high | 43 Ų | 43 | 54.2 Ų | 54.2 | 23% | 0.23 | 27% | 0.271 | C | S | . | . | trans | -105.9 | 116.2 | 177.6 | -171.9 | -22.6 | 0 | 0 | 0 | 110.5 | N218 I219 | D216-N218 PolarHBondContact O-N 3.35Å; D216-N218 VanDerWaalsContact O-N 3.1Å; D216-N218 WeakPolarHBondContact OD1-CB 3.42Å; D216-N218 PolarHBondContact OD1-N 2.99Å; D216-N218 PolarHBondContact OD1-ND2 2.75Å; D216-I219 HydrophobicContact CB-CD1 4.11Å; D216-I219 HydrophobicContact CB-CG1 4.08Å; D216-I219 PolarHBondContact O-N 3.43Å | ||
| 217 | P | 92.9 | Very high | 96 | Very high | 83 Ų | 83 | 53.6 Ų | 53.6 | 54% | 0.539 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -9.1 | -180 | 30.1 | -36.7 | 0 | 0 | 0 | 113.7 | P220 | P217-P220 WeakPolarHBondContact O-CD 3.25Š|
| 218 | N | 94.6 | Very high | 96 | Very high | 68 Ų | 68 | 53.7 Ų | 53.7 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -82.9 | -15.1 | 176.7 | -60.7 | -61.4 | 0 | 0 | 0 | 113.3 | D216 V221 L222 I451 L454 | D216-N218 PolarHBondContact O-N 3.35Å; D216-N218 VanDerWaalsContact O-N 3.1Å; D216-N218 WeakPolarHBondContact OD1-CB 3.42Å; D216-N218 PolarHBondContact OD1-N 2.99Å; D216-N218 PolarHBondContact OD1-ND2 2.75Å; N218-V221 WeakPolarHBondContact O-CB 3.4Å; N218-V221 PolarHBondContact O-N 2.76Å; N218-L222 PolarHBondContact O-N 3.43Å; N218-I451 HydrophobicContact CB-CD1 4.48Å; N218-I451 HydrophobicContact CB-CG2 3.83Å; N218-L454 HydrophobicContact CB-CD2 3.96Å |
| 219 | I | 95.9 | Very high | 96.1 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.036 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60 | -52.2 | 178.4 | -58.1 | 166 | 0 | 0 | 0 | 110.9 | L44 D216 V221 L222 L223 L250 L251 I451 | L44-I219 HydrophobicContact CD2-CG2 3.99Å; L44-I219 WeakPolarHBondContact O-CD1 3.29Å; D216-I219 HydrophobicContact CB-CD1 4.11Å; D216-I219 HydrophobicContact CB-CG1 4.08Å; D216-I219 PolarHBondContact O-N 3.43Å; I219-V221 PolarHBondContact O-N 3.34Å; I219-L222 PolarHBondContact O-N 3.18Å; I219-L223 HydrophobicContact CG2-CD1 4.02Å; I219-L223 HydrophobicContact CG2-CG 4.36Å; I219-L223 WeakPolarHBondContact O-CG 3.41Å; I219-L223 PolarHBondContact O-N 2.74Å; I219-L250 HydrophobicContact CD1-CD2 4.17Å; I219-L251 HydrophobicContact CB-CD2 4.32Å; I219-L251 HydrophobicContact CG2-CD2 3.72Å; I219-I451 HydrophobicContact CB-CD1 4.13Å; I219-I451 HydrophobicContact CG1-CD1 3.49Å; I219-I451 VanDerWaalsContact CG1-CD1 3.49Å; I219-I451 HydrophobicContact CG1-CG1 4.26Å |
| 220 | P | 94.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 54 Ų | 54 | 10% | 0.097 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.9 | -33.5 | 176.7 | -21.1 | 32 | 0 | 0 | 0 | 113.1 | P217 T224 L251 F267 | P217-P220 WeakPolarHBondContact O-CD 3.25Å; P220-T224 VanDerWaalsContact O-CB 3.31Å; P220-T224 WeakPolarHBondContact O-CB 3.39Å; P220-T224 PolarHBondContact O-N 2.82Å; P220-T224 PolarHBondContact O-OG1 2.81Å; P220-L251 HydrophobicContact CB-CD2 4.31Å; P220-L251 HydrophobicContact CG-CD2 3.79Å; P220-F267 HydrophobicContact CB-CE1 3.88Å; P220-F267 HydrophobicContact CB-CZ 3.98Å |
| 221 | V | 95.6 | Very high | 96.2 | Very high | 57 Ų | 57 | 51.4 Ų | 51.4 | 35% | 0.345 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.3 | -48.4 | 179.2 | -178.5 | 0 | 0 | 0 | 0 | 110.4 | N218 I219 T224 R225 L454 | N218-V221 WeakPolarHBondContact O-CB 3.4Å; N218-V221 PolarHBondContact O-N 2.76Å; I219-V221 PolarHBondContact O-N 3.34Å; V221-T224 PolarHBondContact O-N 3.22Å; V221-R225 WeakPolarHBondContact O-CB 3.46Å; V221-R225 WeakPolarHBondContact O-CG 3.47Å; V221-R225 PolarHBondContact O-N 2.88Å; V221-L454 HydrophobicContact CG1-CD1 4.15Å; V221-L454 HydrophobicContact CG1-CD2 4.47Å |
| 222 | L | 97.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.5 | -51.9 | 176.9 | 176.2 | 63.9 | 0 | 0 | 0 | 110.9 | N218 I219 T224 R225 I226 I451 L453 L454 | N218-L222 PolarHBondContact O-N 3.43Å; I219-L222 PolarHBondContact O-N 3.18Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 3.12Å; L222-R225 PolarHBondContact O-N 3.01Å; L222-I226 HydrophobicContact CD1-CD1 3.87Å; L222-I226 HydrophobicContact CD1-CG1 4.17Å; L222-I226 HydrophobicContact CG-CD1 3.84Å; L222-I226 HydrophobicContact CG-CG1 4.49Å; L222-I226 WeakPolarHBondContact O-CG1 3.4Å; L222-I226 PolarHBondContact O-N 3.12Å; L222-I451 HydrophobicContact CD2-CD1 4.06Å; L222-L453 HydrophobicContact CD1-CB 4.09Å; L222-L454 HydrophobicContact CD1-CB 4.35Å; L222-L454 HydrophobicContact CD1-CD1 4.46Å |
| 223 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -39.2 | -179.1 | -64.7 | 178.8 | 0 | 0 | 0 | 112 | F38 I219 I226 K227 I232 L251 F267 F268 | F38-L223 HydrophobicContact CD2-CD2 4.25Å; F38-L223 HydrophobicContact CE2-CD2 3.75Å; F38-L223 HydrophobicContact CZ-CD2 3.91Å; I219-L223 HydrophobicContact CG2-CD1 4.02Å; I219-L223 HydrophobicContact CG2-CG 4.36Å; I219-L223 WeakPolarHBondContact O-CG 3.41Å; I219-L223 PolarHBondContact O-N 2.74Å; L223-I226 PolarHBondContact O-N 3.29Å; L223-K227 WeakPolarHBondContact O-CB 3.37Å; L223-K227 PolarHBondContact O-N 2.99Å; L223-I232 HydrophobicContact CB-CD1 4.39Å; L223-I232 HydrophobicContact CD2-CD1 4.34Å; L223-I232 HydrophobicContact CD2-CG2 4.36Å; L223-I232 WeakPolarHBondContact O-CD1 3.41Å; L223-L251 HydrophobicContact CD1-CD1 3.87Å; L223-L251 HydrophobicContact CD1-CD2 3.94Å; L223-F267 HydrophobicContact CB-CB 4.35Å; L223-F267 HydrophobicContact CB-CD1 3.81Å; L223-F267 HydrophobicContact CB-CG 4.5Å; L223-F267 HydrophobicContact CD1-CB 4.17Å; L223-F267 HydrophobicContact CD1-CD1 4.42Å; L223-F267 HydrophobicContact CD1-CG 4.49Å; L223-F268 HydrophobicContact CD1-CE2 4.43Å; L223-F268 HydrophobicContact CD1-CZ 3.88Å |
| 224 | T | 96.2 | Very high | 96.3 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 31% | 0.313 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.6 | -46.1 | 176.4 | -58.4 | 0 | 0 | 0 | 0 | 111.4 | P220 V221 L222 I226 K227 E228 F267 | P220-T224 VanDerWaalsContact O-CB 3.31Å; P220-T224 WeakPolarHBondContact O-CB 3.39Å; P220-T224 PolarHBondContact O-N 2.82Å; P220-T224 PolarHBondContact O-OG1 2.81Å; V221-T224 PolarHBondContact O-N 3.22Å; L222-T224 VanDerWaalsContact C-N 3.31Å; L222-T224 PolarHBondContact O-N 3.12Å; T224-I226 PolarHBondContact O-N 3.23Å; T224-K227 PolarHBondContact O-N 2.88Å; T224-E228 PolarHBondContact O-N 3.49Å; T224-F267 WeakPolarHBondContact OG1-CE1 3.16Å |
| 225 | R | 97.3 | Very high | 96.4 | Very high | 118 Ų | 118 | 43.5 Ų | 43.5 | 45% | 0.445 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.8 | -38.8 | 179.3 | -75.4 | -175.8 | 177.9 | -175.1 | -0.1 | 112.7 | V221 L222 K227 E228 L454 F458 | V221-R225 WeakPolarHBondContact O-CB 3.46Å; V221-R225 WeakPolarHBondContact O-CG 3.47Å; V221-R225 PolarHBondContact O-N 2.88Å; L222-R225 PolarHBondContact O-N 3.01Å; R225-K227 VanDerWaalsContact C-N 3.32Å; R225-E228 PolarHBondContact O-N 3.48Å; R225-L454 VanDerWaalsContact NH1-CD1 3.28Å; R225-F458 HydrophobicContact CB-CE2 3.81Å; R225-F458 HydrophobicContact CB-CZ 4.01Å; R225-F458 VanDerWaalsContact O-CE2 3.26Å; R225-F458 WeakPolarHBondContact O-CE2 3.49Å |
| 226 | I | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 174.2 | -67.9 | 169.6 | 0 | 0 | 0 | 109.9 | Y36 F38 L222 L223 T224 E228 V229 A230 I232 F458 | Y36-I226 HydrophobicContact CD1-CD1 4.02Å; Y36-I226 HydrophobicContact CD1-CG2 4.31Å; Y36-I226 HydrophobicContact CD2-CG2 3.33Å; Y36-I226 HydrophobicContact CE1-CD1 4.48Å; Y36-I226 HydrophobicContact CE2-CG2 3.89Å; Y36-I226 HydrophobicContact CG-CD1 4.23Å; Y36-I226 HydrophobicContact CG-CG2 3.59Å; F38-I226 HydrophobicContact CE2-CD1 4.27Å; F38-I226 HydrophobicContact CZ-CD1 3.89Å; L222-I226 HydrophobicContact CD1-CD1 3.87Å; L222-I226 HydrophobicContact CD1-CG1 4.17Å; L222-I226 HydrophobicContact CG-CD1 3.84Å; L222-I226 HydrophobicContact CG-CG1 4.49Å; L222-I226 WeakPolarHBondContact O-CG1 3.4Å; L222-I226 PolarHBondContact O-N 3.12Å; L223-I226 PolarHBondContact O-N 3.29Å; T224-I226 PolarHBondContact O-N 3.23Å; I226-E228 PolarHBondContact O-N 3.19Å; I226-E228 VanDerWaalsContact O-N 3.17Å; I226-V229 VanDerWaalsContact O-CG2 3.28Å; I226-V229 WeakPolarHBondContact O-CG2 3.43Å; I226-V229 PolarHBondContact O-N 3.37Å; I226-A230 HydrophobicContact CG2-CB 4.3Å; I226-A230 PolarHBondContact O-N 2.97Å; I226-I232 HydrophobicContact CB-CD1 3.69Å; I226-I232 HydrophobicContact CB-CG1 4.27Å; I226-I232 HydrophobicContact CG2-CD1 3.58Å; I226-I232 HydrophobicContact CG2-CG1 3.58Å; I226-F458 HydrophobicContact CB-CZ 4.26Å; I226-F458 HydrophobicContact CG1-CE1 3.6Å; I226-F458 HydrophobicContact CG1-CZ 3.54Å |
| 227 | K | 95.8 | Very high | 96.7 | Very high | 57 Ų | 57 | 40.8 Ų | 40.8 | 25% | 0.248 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.7 | -21.1 | -176.6 | -167.5 | 160.4 | -171.8 | 148.2 | 0 | 113.7 | L223 T224 R225 V229 A230 I232 A266 F268 D269 | L223-K227 WeakPolarHBondContact O-CB 3.37Å; L223-K227 PolarHBondContact O-N 2.99Å; T224-K227 PolarHBondContact O-N 2.88Å; R225-K227 VanDerWaalsContact C-N 3.32Å; K227-V229 VanDerWaalsContact C-N 3.27Å; K227-A230 WeakPolarHBondContact CA-O 3.38Å; K227-I232 HydrophobicContact CB-CD1 3.9Å; K227-I232 HydrophobicContact CB-CG1 4.49Å; K227-A266 PolarHBondContact NZ-O 3.5Å; K227-F268 PolarHBondContact NZ-O 3.18Å; K227-D269 WeakPolarHBondContact CE-OD1 3.29Å; K227-D269 IonicContact NZ-OD1 2.68Å; K227-D269 PolarHBondContact NZ-OD1 2.57Å |
| 228 | E | 96.6 | Very high | 96.8 | Very high | 150 Ų | 150 | 37.2 Ų | 37.2 | 70% | 0.701 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -23.3 | 173.1 | -69.3 | 169.5 | -175.4 | 0 | 0 | 112.8 | T224 R225 I226 | T224-E228 PolarHBondContact O-N 3.49Å; R225-E228 PolarHBondContact O-N 3.48Å; I226-E228 PolarHBondContact O-N 3.19Å; I226-E228 VanDerWaalsContact O-N 3.17Å |
| 229 | V | 97 | Very high | 96.8 | Very high | 84 Ų | 84 | 36.1 Ų | 36.1 | 51% | 0.509 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -18.8 | -172.6 | -59.8 | 0 | 0 | 0 | 0 | 114.5 | I226 K227 F458 | I226-V229 VanDerWaalsContact O-CG2 3.28Å; I226-V229 WeakPolarHBondContact O-CG2 3.43Å; I226-V229 PolarHBondContact O-N 3.37Å; K227-V229 VanDerWaalsContact C-N 3.27Å; V229-F458 HydrophobicContact CG1-CD2 4.23Å; V229-F458 HydrophobicContact CG2-CB 4.16Å; V229-F458 HydrophobicContact CG2-CD1 4.27Å; V229-F458 HydrophobicContact CG2-CD2 3.7Å; V229-F458 HydrophobicContact CG2-CE2 4.1Å; V229-F458 HydrophobicContact CG2-CG 3.8Å |
| 230 | A | 97.6 | Very high | 96.8 | Very high | 13 Ų | 13 | 36 Ų | 36 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -153.4 | 161.6 | -173 | 0 | 0 | 0 | 0 | 0 | 112.1 | K34 Y36 I226 K227 | K34-A230 WeakPolarHBondContact O-CB 3.12Å; Y36-A230 HydrophobicContact CD2-CB 3.68Å; Y36-A230 HydrophobicContact CE2-CB 3.66Å; I226-A230 HydrophobicContact CG2-CB 4.3Å; I226-A230 PolarHBondContact O-N 2.97Å; K227-A230 WeakPolarHBondContact CA-O 3.38Å |
| 231 | K | 97.7 | Very high | 96.9 | Very high | 81 Ų | 81 | 39.5 Ų | 39.5 | 35% | 0.352 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 151.6 | 171.8 | -64 | 177.3 | -173 | 175.8 | 0 | 110.5 | K34 C35 Y36 D269 L324 | K34-K231 PolarHBondContact O-N 2.88Å; C35-K231 CarbonylContact C-O 3.48Å; C35-K231 VanDerWaalsContact CA-O 3.27Å; C35-K231 WeakPolarHBondContact CA-O 3.37Å; C35-K231 HydrophobicContact CB-CB 4.47Å; Y36-K231 PolarHBondContact N-O 2.74Å; K231-D269 VanDerWaalsContact CA-OD2 3.26Å; K231-D269 WeakPolarHBondContact CA-OD2 3.43Å; K231-L324 HydrophobicContact CD-CB 4.42Å; K231-L324 HydrophobicContact CD-CD2 4.21Å; K231-L324 WeakPolarHBondContact CD-O 3.46Å; K231-L324 PolarHBondContact NZ-O 3.16Å |
| 232 | I | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 136.4 | 176.2 | -50.9 | -176.9 | 0 | 0 | 0 | 110.4 | Y36 F38 L223 I226 K227 F268 D269 L270 | Y36-I232 CarbonylContact O-C 3.56Å; Y36-I232 VanDerWaalsContact O-CA 3.3Å; Y36-I232 WeakPolarHBondContact O-CA 3.33Å; F38-I232 HydrophobicContact CD2-CG2 3.92Å; F38-I232 HydrophobicContact CE2-CG2 3.93Å; L223-I232 HydrophobicContact CB-CD1 4.39Å; L223-I232 HydrophobicContact CD2-CD1 4.34Å; L223-I232 HydrophobicContact CD2-CG2 4.36Å; L223-I232 WeakPolarHBondContact O-CD1 3.41Å; I226-I232 HydrophobicContact CB-CD1 3.69Å; I226-I232 HydrophobicContact CB-CG1 4.27Å; I226-I232 HydrophobicContact CG2-CD1 3.58Å; I226-I232 HydrophobicContact CG2-CG1 3.58Å; K227-I232 HydrophobicContact CB-CD1 3.9Å; K227-I232 HydrophobicContact CB-CG1 4.49Å; I232-F268 HydrophobicContact CB-CD1 4.5Å; I232-F268 HydrophobicContact CG2-CD1 3.65Å; I232-F268 HydrophobicContact CG2-CE1 3.91Å; I232-D269 PolarHBondContact N-OD2 2.66Å; I232-D269 PolarHBondContact O-N 3.24Å; I232-L270 PolarHBondContact O-N 2.96Å |
| 233 | F | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 153.5 | 167.6 | 72 | -86 | 0 | 0 | 0 | 113.7 | C35 Y36 G37 F38 A235 L270 V320 L324 I331 Y333 W351 | C35-F233 WeakPolarHBondContact SG-CD1 3.47Å; Y36-F233 PolarHBondContact O-N 2.71Å; G37-F233 CarbonylContact C-O 3.47Å; G37-F233 WeakPolarHBondContact CA-O 3.46Å; F38-F233 PolarHBondContact N-O 2.83Å; F233-A235 HydrophobicContact CD2-CB 3.87Å; F233-A235 HydrophobicContact CE2-CB 3.76Å; F233-L270 CarbonylContact C-O 3.43Å; F233-L270 WeakPolarHBondContact CA-O 3.48Å; F233-L270 HydrophobicContact CB-CB 3.85Å; F233-L270 HydrophobicContact CB-CD2 4.42Å; F233-L270 WeakPolarHBondContact CB-O 3.48Å; F233-V320 HydrophobicContact CD1-CG1 4.28Å; F233-V320 HydrophobicContact CD2-CG1 4.02Å; F233-V320 HydrophobicContact CE1-CG1 4.26Å; F233-V320 HydrophobicContact CE2-CG1 4Å; F233-V320 HydrophobicContact CG-CG1 4.15Å; F233-V320 HydrophobicContact CZ-CG1 4.11Å; F233-L324 HydrophobicContact CB-CD1 3.87Å; F233-L324 HydrophobicContact CD1-CD1 3.72Å; F233-L324 HydrophobicContact CG-CD1 4.02Å; F233-I331 HydrophobicContact CE1-CG2 3.9Å; F233-I331 HydrophobicContact CZ-CG2 4.14Å; F233-Y333 HydrophobicContact CE2-CD2 4Å; F233-Y333 AromaticContact CE2-CE2 3.85Å; F233-Y333 HydrophobicContact CE2-CE2 3.85Å; F233-Y333 AromaticContact CZ-CD2 3.84Å; F233-Y333 HydrophobicContact CZ-CD2 3.84Å; F233-Y333 HydrophobicContact CZ-CE2 4.19Å; F233-W351 HydrophobicContact CE2-CH2 4.24Å; F233-W351 HydrophobicContact CE2-CZ3 4.32Å; F233-W351 AromaticContact CZ-CH2 3.66Å; F233-W351 HydrophobicContact CZ-CH2 3.66Å; F233-W351 AromaticContact CZ-CZ3 3.7Å; F233-W351 HydrophobicContact CZ-CZ3 3.7Å |
| 234 | L | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.7 | 168.2 | -173.7 | 69.1 | 0 | 0 | 0 | 108.5 | F38 M40 L44 T243 M247 W264 F268 L270 V271 V272 | F38-L234 HydrophobicContact CB-CD1 4.28Å; M40-L234 HydrophobicContact CB-CD1 4.22Å; L44-L234 HydrophobicContact CD1-CD1 3.94Å; L234-T243 HydrophobicContact CD2-CG2 3.79Å; L234-M247 HydrophobicContact CD2-CG 4.44Å; L234-W264 HydrophobicContact CD2-CH2 4.4Å; L234-W264 HydrophobicContact CD2-CZ3 4Å; L234-F268 HydrophobicContact CB-CD1 3.83Å; L234-F268 HydrophobicContact CB-CE1 3.91Å; L234-F268 HydrophobicContact CB-CG 4.35Å; L234-F268 HydrophobicContact CB-CZ 4.49Å; L234-F268 HydrophobicContact CD1-CE1 4.4Å; L234-L270 PolarHBondContact N-O 3.44Å; L234-V271 HydrophobicContact CB-CG1 4.4Å; L234-V271 HydrophobicContact CD2-CG1 4.23Å; L234-V272 PolarHBondContact O-N 3.01Å |
| 235 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 98.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | F38 F233 V272 T275 K277 F280 Y333 | F38-A235 PolarHBondContact O-N 3.33Å; F233-A235 HydrophobicContact CD2-CB 3.87Å; F233-A235 HydrophobicContact CE2-CB 3.76Å; A235-V272 WeakPolarHBondContact CA-O 3.45Å; A235-T275 HydrophobicContact CB-CG2 4.13Å; A235-K277 PolarHBondContact O-NZ 2.86Å; A235-F280 HydrophobicContact CB-CE1 4.39Å; A235-F280 HydrophobicContact CB-CZ 4.47Å; A235-Y333 HydrophobicContact CB-CE2 4.15Å; A235-Y333 PolarHBondContact O-OH 2.92Å |
| 236 | T | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -123.2 | 151 | -171.7 | -172.8 | 0 | 0 | 0 | 0 | 112.7 | D39 M40 S238 T243 V272 V273 D274 T275 | D39-T236 WeakPolarHBondContact OD1-CA 3.48Å; D39-T236 PolarHBondContact OD1-OG1 3.2Å; M40-T236 HydrophobicContact CB-CG2 4.43Å; T236-S238 VanDerWaalsContact C-N 3.29Å; T236-S238 PolarHBondContact OG1-N 3.1Å; T236-T243 HydrophobicContact CG2-CG2 4.4Å; T236-V272 PolarHBondContact N-O 3.47Å; T236-V273 HydrophobicContact CG2-CB 4.5Å; T236-V273 HydrophobicContact CG2-CG1 4.12Å; T236-V273 CarbonylContact O-C 3.24Å; T236-D274 PolarHBondContact O-N 3.37Å; T236-T275 WeakPolarHBondContact O-CG2 3.45Å; T236-T275 PolarHBondContact O-N 3.18Å; T236-T275 PolarHBondContact O-OG1 3.06Å | ||
| 237 | N | 95.9 | Very high | 96.8 | Very high | 72 Ų | 72 | 31.6 Ų | 31.6 | 39% | 0.385 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -77.2 | -18.7 | 173.2 | -81.3 | -5 | 0 | 0 | 0 | 112.5 | T275 R276 K277 | N237-T275 PolarHBondContact N-OG1 3.02Å; N237-T275 PolarHBondContact OD1-OG1 3.45Å; N237-R276 WeakPolarHBondContact OD1-CA 3.43Å; N237-R276 PolarHBondContact OD1-N 2.88Å; N237-K277 PolarHBondContact ND2-O 2.94Å; N237-K277 WeakPolarHBondContact OD1-CB 3.26Å; N237-K277 WeakPolarHBondContact OD1-CE 3.41Å; N237-K277 PolarHBondContact OD1-N 3.22Å |
| 238 | S | 95 | Very high | 96.8 | Very high | 7 Ų | 7 | 32.7 Ų | 32.7 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -67.3 | 152.7 | 177.6 | -83.3 | 0 | 0 | 0 | 0 | 112.2 | D41 T236 Y242 V273 D274 | D41-S238 PolarHBondContact OD2-OG 2.83Å; T236-S238 VanDerWaalsContact C-N 3.29Å; T236-S238 PolarHBondContact OG1-N 3.1Å; S238-Y242 WeakPolarHBondContact OG-CD1 3.45Å; S238-V273 WeakPolarHBondContact O-CB 3.25Å; S238-D274 PolarHBondContact O-N 3.42Å |
| 239 | D | 94.8 | Very high | 96.7 | Very high | 46 Ų | 46 | 26.8 Ų | 26.8 | 25% | 0.246 | 14% | 0.141 | C | C | . | . | trans | -76.4 | 164.1 | 174.5 | 67.4 | 82.3 | 0 | 0 | 0 | 111.4 | K202 N241 Y242 T243 D274 | K202-D239 IonicContact NZ-OD2 3.56Å; K202-D239 PolarHBondContact NZ-OD2 2.83Å; D239-N241 PolarHBondContact O-N 3.34Å; D239-N241 PolarHBondContact OD1-N 3.31Å; D239-Y242 PolarHBondContact O-N 2.85Å; D239-Y242 PolarHBondContact OD1-N 2.88Å; D239-T243 WeakPolarHBondContact O-CB 3.35Å; D239-T243 PolarHBondContact O-N 2.83Å; D239-T243 PolarHBondContact O-OG1 3.25Å; D239-T243 VanDerWaalsContact O-OG1 3.06Å; D239-D274 WeakPolarHBondContact CA-OD1 3.48Å | ||
| 240 | Y | 96.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | -176.2 | 177.5 | -105.5 | 0 | 0 | 0 | 114.5 | Y242 T243 E244 W264 V290 T292 V311 | Y240-Y242 VanDerWaalsContact C-N 3.33Å; Y240-Y242 PolarHBondContact O-N 3.32Å; Y240-T243 PolarHBondContact O-N 3.12Å; Y240-E244 HydrophobicContact CE1-CB 4.37Å; Y240-E244 WeakPolarHBondContact CE1-OE2 3.39Å; Y240-E244 HydrophobicContact CE2-CB 4.38Å; Y240-E244 VanDerWaalsContact O-CB 3.29Å; Y240-E244 WeakPolarHBondContact O-CB 3.29Å; Y240-E244 PolarHBondContact O-N 3.24Å; Y240-E244 VanDerWaalsContact OH-CD 3.31Å; Y240-E244 PolarHBondContact OH-OE1 3.42Å; Y240-E244 PolarHBondContact OH-OE2 2.78Å; Y240-W264 HydrophobicContact CE2-CZ2 4.31Å; Y240-V290 HydrophobicContact CD1-CG1 3.85Å; Y240-V290 HydrophobicContact CD2-CG1 4.17Å; Y240-V290 HydrophobicContact CE1-CG1 4.47Å; Y240-V290 HydrophobicContact CG-CG1 3.66Å; Y240-T292 HydrophobicContact CE2-CG2 4.14Å; Y240-T292 WeakPolarHBondContact OH-CB 3.48Å; Y240-V311 HydrophobicContact CD2-CB 4.37Å; Y240-V311 HydrophobicContact CD2-CG1 3.8Å; Y240-V311 HydrophobicContact CD2-CG2 4.36Å; Y240-V311 HydrophobicContact CE2-CB 4.32Å; Y240-V311 HydrophobicContact CE2-CG1 4.19Å; Y240-V311 HydrophobicContact CE2-CG2 3.89Å |
| 241 | N | 95.3 | Very high | 96.5 | Very high | 88 Ų | 88 | 22.8 Ų | 22.8 | 47% | 0.471 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -65.9 | -42.3 | -173.9 | -69.4 | -31.5 | 0 | 0 | 0 | 110.6 | D239 A245 G295 | D239-N241 PolarHBondContact O-N 3.34Å; D239-N241 PolarHBondContact OD1-N 3.31Å; N241-A245 PolarHBondContact O-N 2.83Å; N241-A245 VanDerWaalsContact O-N 3.17Å; N241-G295 WeakPolarHBondContact OD1-CA 3.21Å |
| 242 | Y | 96.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 22.1 Ų | 22.1 | 2% | 0.024 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.3 | -47.4 | 175.1 | -172 | -110.7 | 0 | 0 | 0 | 111.7 | M40 Y47 K202 I206 S238 D239 Y240 E244 A245 I246 | M40-Y242 HydrophobicContact CE-CD1 3.75Å; M40-Y242 HydrophobicContact CE-CE1 3.83Å; Y47-Y242 WeakPolarHBondContact OH-CE1 3.08Å; Y47-Y242 PolarHBondContact OH-OH 3.31Å; K202-Y242 HydrophobicContact CB-CD2 3.44Å; K202-Y242 VanDerWaalsContact CB-CD2 3.44Å; K202-Y242 HydrophobicContact CB-CE2 3.62Å; K202-Y242 HydrophobicContact CB-CG 4.18Å; K202-Y242 HydrophobicContact CD-CD1 4.12Å; K202-Y242 HydrophobicContact CD-CD2 3.85Å; K202-Y242 HydrophobicContact CD-CE2 4.43Å; K202-Y242 HydrophobicContact CD-CG 3.67Å; K202-Y242 HydrophobicContact CG-CD1 4.17Å; K202-Y242 HydrophobicContact CG-CD2 3.48Å; K202-Y242 VanDerWaalsContact CG-CD2 3.48Å; K202-Y242 HydrophobicContact CG-CE1 4.28Å; K202-Y242 HydrophobicContact CG-CE2 3.61Å; K202-Y242 HydrophobicContact CG-CG 3.78Å; I206-Y242 HydrophobicContact CD1-CD2 3.7Å; I206-Y242 HydrophobicContact CD1-CE2 4.2Å; I206-Y242 HydrophobicContact CG1-CD2 4.1Å; I206-Y242 HydrophobicContact CG1-CE2 4.09Å; S238-Y242 WeakPolarHBondContact OG-CD1 3.45Å; D239-Y242 PolarHBondContact O-N 2.85Å; D239-Y242 PolarHBondContact OD1-N 2.88Å; Y240-Y242 VanDerWaalsContact C-N 3.33Å; Y240-Y242 PolarHBondContact O-N 3.32Å; Y242-E244 VanDerWaalsContact C-N 3.3Å; Y242-E244 PolarHBondContact O-N 3.48Å; Y242-A245 PolarHBondContact O-N 3.42Å; Y242-I246 HydrophobicContact CD1-CG1 4.23Å; Y242-I246 HydrophobicContact CD2-CG1 4.41Å; Y242-I246 HydrophobicContact CE1-CD1 4.4Å; Y242-I246 HydrophobicContact CE1-CG1 3.84Å; Y242-I246 HydrophobicContact CE2-CD1 4.13Å; Y242-I246 HydrophobicContact CE2-CG1 4.03Å; Y242-I246 WeakPolarHBondContact O-CG1 3.46Å; Y242-I246 PolarHBondContact O-N 3.18Å |
| 243 | T | 97.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.9 | -43.2 | 176.8 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | M40 L234 T236 D239 Y240 A245 I246 M247 W264 V273 | M40-T243 HydrophobicContact SD-CG2 3.78Å; L234-T243 HydrophobicContact CD2-CG2 3.79Å; T236-T243 HydrophobicContact CG2-CG2 4.4Å; D239-T243 WeakPolarHBondContact O-CB 3.35Å; D239-T243 PolarHBondContact O-N 2.83Å; D239-T243 PolarHBondContact O-OG1 3.25Å; D239-T243 VanDerWaalsContact O-OG1 3.06Å; Y240-T243 PolarHBondContact O-N 3.12Å; T243-A245 PolarHBondContact O-N 3.06Å; T243-I246 PolarHBondContact O-N 2.81Å; T243-M247 HydrophobicContact CG2-CG 3.92Å; T243-M247 WeakPolarHBondContact O-CB 3.11Å; T243-M247 WeakPolarHBondContact O-CG 3.32Å; T243-M247 PolarHBondContact O-N 3.36Å; T243-W264 HydrophobicContact CG2-CH2 3.88Å; T243-W264 HydrophobicContact CG2-CZ2 4.4Å; T243-V273 HydrophobicContact CG2-CG1 4.26Å |
| 244 | E | 96.1 | Very high | 92.9 | Very high | 30 Ų | 30 | 28.3 Ų | 28.3 | 14% | 0.14 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 178.5 | -177.5 | 173.1 | -151.2 | 0 | 0 | 111.7 | Y240 Y242 K248 | Y240-E244 HydrophobicContact CE1-CB 4.37Å; Y240-E244 WeakPolarHBondContact CE1-OE2 3.39Å; Y240-E244 HydrophobicContact CE2-CB 4.38Å; Y240-E244 VanDerWaalsContact O-CB 3.29Å; Y240-E244 WeakPolarHBondContact O-CB 3.29Å; Y240-E244 PolarHBondContact O-N 3.24Å; Y240-E244 VanDerWaalsContact OH-CD 3.31Å; Y240-E244 PolarHBondContact OH-OE1 3.42Å; Y240-E244 PolarHBondContact OH-OE2 2.78Å; Y242-E244 VanDerWaalsContact C-N 3.3Å; Y242-E244 PolarHBondContact O-N 3.48Å; E244-K248 HydrophobicContact CG-CD 3.97Å; E244-K248 HydrophobicContact CG-CG 4.35Å; E244-K248 VanDerWaalsContact O-CB 3.31Å; E244-K248 WeakPolarHBondContact O-CB 3.37Å; E244-K248 WeakPolarHBondContact O-CG 3.37Å; E244-K248 PolarHBondContact O-N 2.87Å; E244-K248 WeakPolarHBondContact OE1-CE 3.45Å; E244-K248 IonicContact OE1-NZ 2.69Å; E244-K248 PolarHBondContact OE1-NZ 3.06Å; E244-K248 IonicContact OE2-NZ 3.51Å |
| 245 | A | 96.5 | Very high | 90.7 | Very high | 24 Ų | 24 | 32.4 Ų | 32.4 | 20% | 0.198 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I206 N241 Y242 T243 Y249 | I206-A245 HydrophobicContact CD1-CB 3.73Å; I206-A245 HydrophobicContact CG1-CB 3.92Å; I206-A245 HydrophobicContact CG2-CB 4.39Å; N241-A245 PolarHBondContact O-N 2.83Å; N241-A245 VanDerWaalsContact O-N 3.17Å; Y242-A245 PolarHBondContact O-N 3.42Å; T243-A245 PolarHBondContact O-N 3.06Å; A245-Y249 PolarHBondContact O-N 2.66Å |
| 246 | I | 97.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.2 | -47.7 | 179.5 | -64.2 | -67.6 | 0 | 0 | 0 | 110.9 | M40 A45 L209 V213 Y242 T243 K248 Y249 L250 | M40-I246 HydrophobicContact CE-CG1 4.48Å; M40-I246 HydrophobicContact CG-CG2 4.35Å; M40-I246 HydrophobicContact SD-CB 4.14Å; M40-I246 HydrophobicContact SD-CG2 4.07Å; A45-I246 HydrophobicContact CB-CG2 3.5Å; A45-I246 VanDerWaalsContact CB-CG2 3.5Å; L209-I246 HydrophobicContact CD2-CD1 3.55Å; V213-I246 HydrophobicContact CG2-CD1 4.07Å; Y242-I246 HydrophobicContact CD1-CG1 4.23Å; Y242-I246 HydrophobicContact CD2-CG1 4.41Å; Y242-I246 HydrophobicContact CE1-CD1 4.4Å; Y242-I246 HydrophobicContact CE1-CG1 3.84Å; Y242-I246 HydrophobicContact CE2-CD1 4.13Å; Y242-I246 HydrophobicContact CE2-CG1 4.03Å; Y242-I246 WeakPolarHBondContact O-CG1 3.46Å; Y242-I246 PolarHBondContact O-N 3.18Å; T243-I246 PolarHBondContact O-N 2.81Å; I246-K248 PolarHBondContact O-N 3.11Å; I246-Y249 WeakPolarHBondContact O-CB 3.19Å; I246-Y249 PolarHBondContact O-N 2.86Å; I246-L250 HydrophobicContact CG2-CD1 3.93Å; I246-L250 HydrophobicContact CG2-CG 4.42Å; I246-L250 WeakPolarHBondContact O-CG 3.45Å; I246-L250 PolarHBondContact O-N 2.91Å |
| 247 | M | 97 | Very high | 86.5 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -69.8 | -33.5 | -176.1 | -65.9 | -56.9 | -69.6 | 0 | 0 | 112.6 | M40 L44 L234 T243 L250 L251 W264 F268 | M40-M247 HydrophobicContact CG-SD 4.08Å; M40-M247 HydrophobicContact SD-CG 4.19Å; M40-M247 HydrophobicContact SD-SD 4.3Å; L44-M247 HydrophobicContact CD1-CE 4.16Å; L234-M247 HydrophobicContact CD2-CG 4.44Å; T243-M247 HydrophobicContact CG2-CG 3.92Å; T243-M247 WeakPolarHBondContact O-CB 3.11Å; T243-M247 WeakPolarHBondContact O-CG 3.32Å; T243-M247 PolarHBondContact O-N 3.36Å; M247-L250 PolarHBondContact O-N 2.79Å; M247-L250 HydrophobicContact SD-CD1 4.28Å; M247-L251 HydrophobicContact CE-CD1 3.56Å; M247-L251 HydrophobicContact CE-CG 4.21Å; M247-L251 WeakPolarHBondContact O-CB 3.37Å; M247-L251 PolarHBondContact O-N 3.22Å; M247-W264 HydrophobicContact CB-CB 4.11Å; M247-W264 HydrophobicContact CB-CD2 3.44Å; M247-W264 VanDerWaalsContact CB-CD2 3.44Å; M247-W264 HydrophobicContact CB-CE3 3.53Å; M247-W264 HydrophobicContact CB-CG 3.73Å; M247-W264 HydrophobicContact CB-CH2 4.49Å; M247-W264 HydrophobicContact CB-CZ2 4.45Å; M247-W264 HydrophobicContact CB-CZ3 4.08Å; M247-W264 HydrophobicContact CE-CE3 4.1Å; M247-W264 HydrophobicContact CE-CZ3 4.46Å; M247-W264 HydrophobicContact CG-CD2 4.24Å; M247-W264 HydrophobicContact CG-CE3 3.87Å; M247-W264 HydrophobicContact CG-CH2 4.39Å; M247-W264 HydrophobicContact CG-CZ3 3.96Å; M247-F268 HydrophobicContact CE-CE2 3.46Å; M247-F268 VanDerWaalsContact CE-CE2 3.46Å; M247-F268 HydrophobicContact CE-CZ 3.45Å; M247-F268 VanDerWaalsContact CE-CZ 3.45Å |
| 248 | K | 95.4 | Very high | 84.8 | Confident | 81 Ų | 81 | 47.8 Ų | 47.8 | 35% | 0.352 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 169.3 | -77.3 | 179.8 | 177.2 | 165.3 | 0 | 111.3 | E244 I246 L250 E252 S253 | E244-K248 HydrophobicContact CG-CD 3.97Å; E244-K248 HydrophobicContact CG-CG 4.35Å; E244-K248 VanDerWaalsContact O-CB 3.31Å; E244-K248 WeakPolarHBondContact O-CB 3.37Å; E244-K248 WeakPolarHBondContact O-CG 3.37Å; E244-K248 PolarHBondContact O-N 2.87Å; E244-K248 WeakPolarHBondContact OE1-CE 3.45Å; E244-K248 IonicContact OE1-NZ 2.69Å; E244-K248 PolarHBondContact OE1-NZ 3.06Å; E244-K248 IonicContact OE2-NZ 3.51Å; I246-K248 PolarHBondContact O-N 3.11Å; K248-L250 VanDerWaalsContact C-N 3.35Å; K248-L250 PolarHBondContact O-N 3.18Å; K248-E252 HydrophobicContact CG-CG 4.48Å; K248-E252 WeakPolarHBondContact O-CB 3.42Å; K248-E252 PolarHBondContact O-N 2.78Å; K248-S253 PolarHBondContact O-OG 3.26Å |
| 249 | Y | 95.5 | Very high | 83.2 | Confident | 26 Ų | 26 | 50.2 Ų | 50.2 | 10% | 0.102 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 178.2 | 176.9 | -100.9 | 0 | 0 | 0 | 112.4 | L209 E210 V213 K215 A245 I246 S253 | L209-Y249 HydrophobicContact CB-CD1 4.29Å; L209-Y249 HydrophobicContact CB-CD2 3.84Å; L209-Y249 HydrophobicContact CB-CE1 4.31Å; L209-Y249 HydrophobicContact CB-CE2 3.86Å; L209-Y249 HydrophobicContact CB-CG 4.06Å; L209-Y249 HydrophobicContact CD1-CD2 3.93Å; L209-Y249 HydrophobicContact CD1-CG 3.86Å; L209-Y249 HydrophobicContact CG-CG 4.5Å; E210-Y249 HydrophobicContact CG-CE2 4.07Å; V213-Y249 HydrophobicContact CB-CD1 4.43Å; V213-Y249 HydrophobicContact CB-CE1 4.09Å; V213-Y249 HydrophobicContact CG1-CD1 4.31Å; V213-Y249 HydrophobicContact CG1-CE1 4.22Å; K215-Y249 HydrophobicContact CB-CE1 3.81Å; K215-Y249 HydrophobicContact CD-CE1 4.04Å; K215-Y249 HydrophobicContact CD-CE2 4.14Å; K215-Y249 WeakPolarHBondContact CE-O 3.45Å; K215-Y249 HydrophobicContact CG-CE1 4.12Å; A245-Y249 PolarHBondContact O-N 2.66Å; I246-Y249 WeakPolarHBondContact O-CB 3.19Å; I246-Y249 PolarHBondContact O-N 2.86Å; Y249-S253 WeakPolarHBondContact O-CB 3.46Å; Y249-S253 PolarHBondContact O-OG 3.17Å |
| 250 | L | 95.1 | Very high | 81.8 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -72.1 | -40.9 | -179.4 | -65.3 | 176.6 | 0 | 0 | 0 | 113.5 | A45 V213 I219 I246 M247 K248 | A45-L250 HydrophobicContact CB-CD1 3.88Å; V213-L250 HydrophobicContact CG1-CD2 4.08Å; I219-L250 HydrophobicContact CD1-CD2 4.17Å; I246-L250 HydrophobicContact CG2-CD1 3.93Å; I246-L250 HydrophobicContact CG2-CG 4.42Å; I246-L250 WeakPolarHBondContact O-CG 3.45Å; I246-L250 PolarHBondContact O-N 2.91Å; M247-L250 PolarHBondContact O-N 2.79Å; M247-L250 HydrophobicContact SD-CD1 4.28Å; K248-L250 VanDerWaalsContact C-N 3.35Å; K248-L250 PolarHBondContact O-N 3.18Å |
| 251 | L | 94.1 | Very high | 80.6 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -110.9 | -25 | -165.8 | -57.4 | -173.3 | 0 | 0 | 0 | 115.7 | I219 P220 L223 M247 W264 F267 F268 | I219-L251 HydrophobicContact CB-CD2 4.32Å; I219-L251 HydrophobicContact CG2-CD2 3.72Å; P220-L251 HydrophobicContact CB-CD2 4.31Å; P220-L251 HydrophobicContact CG-CD2 3.79Å; L223-L251 HydrophobicContact CD1-CD1 3.87Å; L223-L251 HydrophobicContact CD1-CD2 3.94Å; M247-L251 HydrophobicContact CE-CD1 3.56Å; M247-L251 HydrophobicContact CE-CG 4.21Å; M247-L251 WeakPolarHBondContact O-CB 3.37Å; M247-L251 PolarHBondContact O-N 3.22Å; L251-W264 HydrophobicContact CB-CB 3.95Å; L251-W264 HydrophobicContact CD1-CB 4.06Å; L251-W264 HydrophobicContact CG-CB 4.47Å; L251-F267 HydrophobicContact CB-CD2 4.3Å; L251-F267 HydrophobicContact CB-CE2 4.05Å; L251-F267 HydrophobicContact CD1-CB 4.17Å; L251-F267 HydrophobicContact CD1-CD2 3.84Å; L251-F267 HydrophobicContact CD1-CE2 4.39Å; L251-F267 HydrophobicContact CD1-CG 4.02Å; L251-F268 HydrophobicContact CD1-CE2 3.89Å; L251-F268 HydrophobicContact CD1-CZ 4.41Å |
| 252 | E | 89 | Confident | 80.1 | Confident | 66 Ų | 66 | 62 Ų | 62 | 31% | 0.308 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -7.5 | -172.9 | -61.1 | -172.5 | -174.9 | 0 | 0 | 113.9 | K248 T254 P263 W264 | K248-E252 HydrophobicContact CG-CG 4.48Å; K248-E252 WeakPolarHBondContact O-CB 3.42Å; K248-E252 PolarHBondContact O-N 2.78Å; E252-T254 PolarHBondContact O-N 3.26Å; E252-P263 VanDerWaalsContact OE1-CA 3.29Å; E252-P263 WeakPolarHBondContact OE1-CA 3.25Å; E252-W264 HydrophobicContact CG-CB 4.07Å; E252-W264 VanDerWaalsContact OE1-CD1 3.26Å; E252-W264 PolarHBondContact OE1-N 3.11Å |
| 253 | S | 69.3 | Low | 79.8 | Confident | 48 Ų | 48 | 64.7 Ų | 64.7 | 34% | 0.336 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -88.3 | 1.9 | -165.3 | -52.4 | 0 | 0 | 0 | 0 | 115.8 | K215 K248 Y249 P255 | K215-S253 VanDerWaalsContact CE-CB 3.49Å; K248-S253 PolarHBondContact O-OG 3.26Å; Y249-S253 WeakPolarHBondContact O-CB 3.46Å; Y249-S253 PolarHBondContact O-OG 3.17Å; S253-P255 WeakPolarHBondContact O-CD 3.4Å |
| 254 | T | 59.5 | Low | 79.7 | Confident | 83 Ų | 83 | 64.7 Ų | 64.7 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | trans | -122.7 | 79.4 | -177.4 | 36.8 | 0 | 0 | 0 | 0 | 112.1 | E252 K256 | E252-T254 PolarHBondContact O-N 3.26Å; T254-K256 PolarHBondContact O-N 3.32Å | ||
| 255 | P | 53.9 | Low | 79.6 | Confident | 86 Ų | 86 | 66.5 Ų | 66.5 | 56% | 0.558 | 38% | 0.381 | S | S | * | . | trans | -71.3 | 111.8 | 163 | 27.7 | -26.3 | 0 | 0 | 0 | 108.2 | S253 S257 | S253-P255 WeakPolarHBondContact O-CD 3.4Å; P255-S257 PolarHBondContact O-N 3.17Å | ||
| 256 | K | 56.4 | Low | 79.5 | Confident | 177 Ų | 177 | 66.5 Ų | 66.5 | 77% | 0.77 | 38% | 0.381 | S | S | * | . | trans | -58.4 | 129.6 | 148.8 | -74.7 | -178.2 | 179.5 | 179.9 | 0 | 105.6 | T254 G258 S259 | T254-K256 PolarHBondContact O-N 3.32Å; K256-G258 PolarHBondContact O-N 3.16Å; K256-S259 PolarHBondContact O-N 2.66Å; K256-S259 PolarHBondContact O-OG 3.1Å; K256-S259 VanDerWaalsContact O-OG 3.06Å | ||
| 257 | S | 50.9 | Low | 79.4 | Confident | 135 Ų | 135 | 67 Ų | 67 | 94% | 0.944 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | 114.5 | -179.3 | -168 | 0 | 0 | 0 | 0 | 109.5 | P255 | P255-S257 PolarHBondContact O-N 3.17Š|
| 258 | G | 58.9 | Low | 79.4 | Confident | 82 Ų | 82 | 67.1 Ų | 67.1 | 85% | 0.845 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102 | -7.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | K256 | K256-G258 PolarHBondContact O-N 3.16Š|
| 259 | S | 61.7 | Low | 79.4 | Confident | 59 Ų | 59 | 65 Ų | 65 | 41% | 0.413 | 38% | 0.376 | S | S | . | . | trans | -87.9 | 137.8 | 174.6 | 57.3 | 0 | 0 | 0 | 0 | 112.4 | K256 K261 | K256-S259 PolarHBondContact O-N 2.66Å; K256-S259 PolarHBondContact O-OG 3.1Å; K256-S259 VanDerWaalsContact O-OG 3.06Å; S259-K261 PolarHBondContact O-N 3.38Å | ||
| 260 | P | 65.9 | Low | 79.5 | Confident | 121 Ų | 121 | 63.8 Ų | 63.8 | 79% | 0.786 | 37% | 0.372 | S | S | * | . | trans | -59.4 | 138.3 | 176.4 | 23.3 | -31.1 | 0 | 0 | 0 | 110.9 | K262 | P260-K262 PolarHBondContact O-N 2.65Å; P260-K262 VanDerWaalsContact O-N 3.07Å | ||
| 261 | K | 71.1 | Confident | 79.6 | Confident | 186 Ų | 186 | 63.8 Ų | 63.8 | 81% | 0.809 | 37% | 0.372 | S | S | * | . | trans | -63 | 111.5 | 175.3 | -74.6 | -173.1 | 177.8 | -176.5 | 0 | 109 | S259 | S259-K261 PolarHBondContact O-N 3.38Š| ||
| 262 | K | 84.3 | Confident | 79.8 | Confident | 78 Ų | 78 | 63.5 Ų | 63.5 | 34% | 0.339 | 37% | 0.371 | S | S | . | . | trans | -88.3 | 121 | 174.7 | -175.4 | 175.5 | 178.5 | -176 | 0 | 108.7 | P260 A266 F267 | P260-K262 PolarHBondContact O-N 2.65Å; P260-K262 VanDerWaalsContact O-N 3.07Å; K262-A266 HydrophobicContact CD-CB 4.39Å; K262-A266 HydrophobicContact CG-CB 3.88Å; K262-F267 HydrophobicContact CB-CE2 4.39Å; K262-F267 HydrophobicContact CD-CD2 4.35Å; K262-F267 HydrophobicContact CD-CE1 4.33Å; K262-F267 HydrophobicContact CD-CE2 3.87Å; K262-F267 HydrophobicContact CD-CZ 3.87Å; K262-F267 HydrophobicContact CG-CD2 4.5Å; K262-F267 HydrophobicContact CG-CE2 3.97Å; K262-F267 HydrophobicContact CG-CZ 4.39Å | ||
| 263 | P | 91.5 | Very high | 80.2 | Confident | 62 Ų | 62 | 60.4 Ų | 60.4 | 40% | 0.403 | 36% | 0.356 | S | S | . | . | trans | -65 | 147.3 | 176.4 | 27 | -33.2 | 0 | 0 | 0 | 110.5 | E252 R265 A266 | E252-P263 VanDerWaalsContact OE1-CA 3.29Å; E252-P263 WeakPolarHBondContact OE1-CA 3.25Å; P263-R265 PolarHBondContact O-N 2.88Å; P263-R265 VanDerWaalsContact O-N 3.16Å; P263-A266 HydrophobicContact CG-CB 4.08Å; P263-A266 WeakPolarHBondContact O-CB 3.08Å; P263-A266 PolarHBondContact O-N 2.87Å | ||
| 264 | W | 94.4 | Very high | 81.5 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 35% | 0.351 | C | S | . | . | G | 310 helix | trans | -57.5 | -35.4 | -175.6 | 76.3 | -97.2 | 0 | 0 | 0 | 112.1 | L234 Y240 T243 M247 L251 E252 A266 F267 F268 V271 | L234-W264 HydrophobicContact CD2-CH2 4.4Å; L234-W264 HydrophobicContact CD2-CZ3 4Å; Y240-W264 HydrophobicContact CE2-CZ2 4.31Å; T243-W264 HydrophobicContact CG2-CH2 3.88Å; T243-W264 HydrophobicContact CG2-CZ2 4.4Å; M247-W264 HydrophobicContact CB-CB 4.11Å; M247-W264 HydrophobicContact CB-CD2 3.44Å; M247-W264 VanDerWaalsContact CB-CD2 3.44Å; M247-W264 HydrophobicContact CB-CE3 3.53Å; M247-W264 HydrophobicContact CB-CG 3.73Å; M247-W264 HydrophobicContact CB-CH2 4.49Å; M247-W264 HydrophobicContact CB-CZ2 4.45Å; M247-W264 HydrophobicContact CB-CZ3 4.08Å; M247-W264 HydrophobicContact CE-CE3 4.1Å; M247-W264 HydrophobicContact CE-CZ3 4.46Å; M247-W264 HydrophobicContact CG-CD2 4.24Å; M247-W264 HydrophobicContact CG-CE3 3.87Å; M247-W264 HydrophobicContact CG-CH2 4.39Å; M247-W264 HydrophobicContact CG-CZ3 3.96Å; L251-W264 HydrophobicContact CB-CB 3.95Å; L251-W264 HydrophobicContact CD1-CB 4.06Å; L251-W264 HydrophobicContact CG-CB 4.47Å; E252-W264 HydrophobicContact CG-CB 4.07Å; E252-W264 VanDerWaalsContact OE1-CD1 3.26Å; E252-W264 PolarHBondContact OE1-N 3.11Å; W264-A266 PolarHBondContact O-N 2.97Å; W264-F267 WeakPolarHBondContact O-CB 3.44Å; W264-F267 WeakPolarHBondContact O-CD2 3.28Å; W264-F267 PolarHBondContact O-N 2.93Å; W264-F267 VanDerWaalsContact O-N 3.14Å; W264-F268 AromaticContact CE3-CD2 3.97Å; W264-F268 HydrophobicContact CE3-CD2 3.97Å; W264-F268 AromaticContact CE3-CE2 3.89Å; W264-F268 HydrophobicContact CE3-CE2 3.89Å; W264-F268 HydrophobicContact CZ3-CD2 4.07Å; W264-F268 HydrophobicContact CZ3-CE2 4.16Å; W264-F268 WeakPolarHBondContact O-CD2 3.29Å; W264-V271 HydrophobicContact CH2-CG1 3.78Å; W264-V271 HydrophobicContact CH2-CG2 4.29Å; W264-V271 HydrophobicContact CZ3-CG1 4.18Å; W264-V271 HydrophobicContact CZ3-CG2 4.06Å |
| 265 | R | 94.4 | Very high | 83.2 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -60.3 | -30.9 | 177.6 | -70.5 | 177.5 | -81.8 | 172.6 | -10.8 | 112.7 | P263 F267 F268 T292 | P263-R265 PolarHBondContact O-N 2.88Å; P263-R265 VanDerWaalsContact O-N 3.16Å; R265-F267 PolarHBondContact O-N 2.87Å; R265-F267 VanDerWaalsContact O-N 3.16Å; R265-F268 PolarHBondContact O-N 3.29Å; R265-F268 VanDerWaalsContact O-O 3.08Å; R265-T292 PolarHBondContact NH1-OG1 2.77Å |
| 266 | A | 93.6 | Very high | 85.1 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 20% | 0.198 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -69.7 | -11.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K227 K262 P263 W264 F268 | K227-A266 PolarHBondContact NZ-O 3.5Å; K262-A266 HydrophobicContact CD-CB 4.39Å; K262-A266 HydrophobicContact CG-CB 3.88Å; P263-A266 HydrophobicContact CG-CB 4.08Å; P263-A266 WeakPolarHBondContact O-CB 3.08Å; P263-A266 PolarHBondContact O-N 2.87Å; W264-A266 PolarHBondContact O-N 2.97Å; A266-F268 VanDerWaalsContact C-N 3.27Å |
| 267 | F | 95 | Very high | 86.9 | Confident | 10 Ų | 10 | 52.3 Ų | 52.3 | 4% | 0.044 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -76.2 | -16 | 171 | -68.1 | -93.6 | 0 | 0 | 0 | 112.7 | P220 L223 T224 L251 K262 W264 R265 | P220-F267 HydrophobicContact CB-CE1 3.88Å; P220-F267 HydrophobicContact CB-CZ 3.98Å; L223-F267 HydrophobicContact CB-CB 4.35Å; L223-F267 HydrophobicContact CB-CD1 3.81Å; L223-F267 HydrophobicContact CB-CG 4.5Å; L223-F267 HydrophobicContact CD1-CB 4.17Å; L223-F267 HydrophobicContact CD1-CD1 4.42Å; L223-F267 HydrophobicContact CD1-CG 4.49Å; T224-F267 WeakPolarHBondContact OG1-CE1 3.16Å; L251-F267 HydrophobicContact CB-CD2 4.3Å; L251-F267 HydrophobicContact CB-CE2 4.05Å; L251-F267 HydrophobicContact CD1-CB 4.17Å; L251-F267 HydrophobicContact CD1-CD2 3.84Å; L251-F267 HydrophobicContact CD1-CE2 4.39Å; L251-F267 HydrophobicContact CD1-CG 4.02Å; K262-F267 HydrophobicContact CB-CE2 4.39Å; K262-F267 HydrophobicContact CD-CD2 4.35Å; K262-F267 HydrophobicContact CD-CE1 4.33Å; K262-F267 HydrophobicContact CD-CE2 3.87Å; K262-F267 HydrophobicContact CD-CZ 3.87Å; K262-F267 HydrophobicContact CG-CD2 4.5Å; K262-F267 HydrophobicContact CG-CE2 3.97Å; K262-F267 HydrophobicContact CG-CZ 4.39Å; W264-F267 WeakPolarHBondContact O-CB 3.44Å; W264-F267 WeakPolarHBondContact O-CD2 3.28Å; W264-F267 PolarHBondContact O-N 2.93Å; W264-F267 VanDerWaalsContact O-N 3.14Å; R265-F267 PolarHBondContact O-N 2.87Å; R265-F267 VanDerWaalsContact O-N 3.16Å |
| 268 | F | 96.8 | Very high | 89 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | trans | -115.5 | 146.3 | -176.4 | -57.3 | -85.4 | 0 | 0 | 0 | 110.3 | L44 L223 K227 I232 L234 M247 L251 W264 R265 A266 V271 | L44-F268 HydrophobicContact CD1-CZ 4.22Å; L223-F268 HydrophobicContact CD1-CE2 4.43Å; L223-F268 HydrophobicContact CD1-CZ 3.88Å; K227-F268 PolarHBondContact NZ-O 3.18Å; I232-F268 HydrophobicContact CB-CD1 4.5Å; I232-F268 HydrophobicContact CG2-CD1 3.65Å; I232-F268 HydrophobicContact CG2-CE1 3.91Å; L234-F268 HydrophobicContact CB-CD1 3.83Å; L234-F268 HydrophobicContact CB-CE1 3.91Å; L234-F268 HydrophobicContact CB-CG 4.35Å; L234-F268 HydrophobicContact CB-CZ 4.49Å; L234-F268 HydrophobicContact CD1-CE1 4.4Å; M247-F268 HydrophobicContact CE-CE2 3.46Å; M247-F268 VanDerWaalsContact CE-CE2 3.46Å; M247-F268 HydrophobicContact CE-CZ 3.45Å; M247-F268 VanDerWaalsContact CE-CZ 3.45Å; L251-F268 HydrophobicContact CD1-CE2 3.89Å; L251-F268 HydrophobicContact CD1-CZ 4.41Å; W264-F268 AromaticContact CE3-CD2 3.97Å; W264-F268 HydrophobicContact CE3-CD2 3.97Å; W264-F268 AromaticContact CE3-CE2 3.89Å; W264-F268 HydrophobicContact CE3-CE2 3.89Å; W264-F268 HydrophobicContact CZ3-CD2 4.07Å; W264-F268 HydrophobicContact CZ3-CE2 4.16Å; W264-F268 WeakPolarHBondContact O-CD2 3.29Å; R265-F268 PolarHBondContact O-N 3.29Å; R265-F268 VanDerWaalsContact O-O 3.08Å; A266-F268 VanDerWaalsContact C-N 3.27Å; F268-V271 HydrophobicContact CB-CG2 3.69Å; F268-V271 HydrophobicContact CD2-CG2 4.4Å; F268-V271 HydrophobicContact CG-CG2 4.15Å | ||
| 269 | D | 96.5 | Very high | 90.6 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 19% | 0.193 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -89.8 | -27.1 | 171 | -57.2 | -56.7 | 0 | 0 | 0 | 110.9 | K227 K231 I232 L324 | K227-D269 WeakPolarHBondContact CE-OD1 3.29Å; K227-D269 IonicContact NZ-OD1 2.68Å; K227-D269 PolarHBondContact NZ-OD1 2.57Å; K231-D269 VanDerWaalsContact CA-OD2 3.26Å; K231-D269 WeakPolarHBondContact CA-OD2 3.43Å; I232-D269 PolarHBondContact N-OD2 2.66Å; I232-D269 PolarHBondContact O-N 3.24Å; D269-L324 HydrophobicContact CB-CD2 4.17Å |
| 270 | L | 96.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 138.3 | 172.6 | -177 | 77.2 | 0 | 0 | 0 | 110.8 | I232 F233 L234 V272 L306 Y312 V320 L323 L324 | I232-L270 PolarHBondContact O-N 2.96Å; F233-L270 CarbonylContact C-O 3.43Å; F233-L270 WeakPolarHBondContact CA-O 3.48Å; F233-L270 HydrophobicContact CB-CB 3.85Å; F233-L270 HydrophobicContact CB-CD2 4.42Å; F233-L270 WeakPolarHBondContact CB-O 3.48Å; L234-L270 PolarHBondContact N-O 3.44Å; L270-V272 HydrophobicContact CD1-CG2 4.48Å; L270-V272 HydrophobicContact CD2-CG2 3.8Å; L270-V272 HydrophobicContact CG-CG2 3.89Å; L270-L306 HydrophobicContact CD1-CD1 3.47Å; L270-L306 VanDerWaalsContact CD1-CD1 3.47Å; L270-Y312 HydrophobicContact CD1-CD2 3.41Å; L270-Y312 VanDerWaalsContact CD1-CD2 3.41Å; L270-Y312 HydrophobicContact CD1-CE2 3.35Å; L270-Y312 HydrophobicContact CG-CD2 4.45Å; L270-V320 HydrophobicContact CD2-CB 4.06Å; L270-V320 HydrophobicContact CD2-CG1 3.74Å; L270-V320 HydrophobicContact CD2-CG2 3.71Å; L270-L323 HydrophobicContact CD1-CD1 4.01Å; L270-L324 HydrophobicContact CB-CD1 4.11Å; L270-L324 HydrophobicContact CB-CD2 3.92Å; L270-L324 HydrophobicContact CB-CG 4.19Å; L270-L324 HydrophobicContact CD2-CD1 3.97Å; L270-L324 HydrophobicContact CD2-CG 4.14Å |
| 271 | V | 97.8 | Very high | 93.5 | Very high | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 123.2 | 172.7 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | L234 W264 F268 V273 V311 Y312 | L234-V271 HydrophobicContact CB-CG1 4.4Å; L234-V271 HydrophobicContact CD2-CG1 4.23Å; W264-V271 HydrophobicContact CH2-CG1 3.78Å; W264-V271 HydrophobicContact CH2-CG2 4.29Å; W264-V271 HydrophobicContact CZ3-CG1 4.18Å; W264-V271 HydrophobicContact CZ3-CG2 4.06Å; F268-V271 HydrophobicContact CB-CG2 3.69Å; F268-V271 HydrophobicContact CD2-CG2 4.4Å; F268-V271 HydrophobicContact CG-CG2 4.15Å; V271-V273 HydrophobicContact CG1-CG1 4.44Å; V271-V311 HydrophobicContact CB-CG1 4.32Å; V271-V311 HydrophobicContact CB-CG2 4.26Å; V271-V311 HydrophobicContact CG1-CG1 3.85Å; V271-V311 HydrophobicContact CG1-CG2 4.27Å; V271-Y312 PolarHBondContact O-N 3.34Å |
| 272 | V | 97.7 | Very high | 94.4 | Very high | 2 Ų | 2 | 31.2 Ų | 31.2 | 1% | 0.012 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 119.5 | 176.4 | -164.6 | 0 | 0 | 0 | 0 | 109.6 | L234 A235 T236 L270 T275 F280 Y312 G314 V320 | L234-V272 PolarHBondContact O-N 3.01Å; A235-V272 WeakPolarHBondContact CA-O 3.45Å; T236-V272 PolarHBondContact N-O 3.47Å; L270-V272 HydrophobicContact CD1-CG2 4.48Å; L270-V272 HydrophobicContact CD2-CG2 3.8Å; L270-V272 HydrophobicContact CG-CG2 3.89Å; V272-T275 HydrophobicContact CB-CG2 4.09Å; V272-T275 HydrophobicContact CG1-CG2 3.75Å; V272-F280 HydrophobicContact CG1-CE2 4.48Å; V272-Y312 CarbonylContact C-O 3.56Å; V272-Y312 WeakPolarHBondContact CA-O 3.35Å; V272-G314 VanDerWaalsContact CG1-O 3.24Å; V272-G314 WeakPolarHBondContact CG1-O 3.5Å; V272-V320 HydrophobicContact CG2-CG2 3.95Å |
| 273 | V | 97.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 172.5 | 175.4 | -61.9 | 0 | 0 | 0 | 0 | 110.4 | T236 S238 T243 V271 T275 V290 V311 Y312 S313 G314 | T236-V273 HydrophobicContact CG2-CB 4.5Å; T236-V273 HydrophobicContact CG2-CG1 4.12Å; T236-V273 CarbonylContact O-C 3.24Å; S238-V273 WeakPolarHBondContact O-CB 3.25Å; T243-V273 HydrophobicContact CG2-CG1 4.26Å; V271-V273 HydrophobicContact CG1-CG1 4.44Å; V273-T275 PolarHBondContact O-N 3.06Å; V273-V290 HydrophobicContact CG2-CG2 3.92Å; V273-V311 HydrophobicContact CG1-CG1 4.27Å; V273-V311 HydrophobicContact CG2-CG1 4.29Å; V273-Y312 VanDerWaalsContact CG2-O 3.28Å; V273-Y312 WeakPolarHBondContact CG2-O 3.34Å; V273-Y312 PolarHBondContact N-O 3.02Å; V273-S313 CarbonylContact O-C 3.58Å; V273-S313 VanDerWaalsContact O-CA 3.29Å; V273-S313 WeakPolarHBondContact O-CA 3.49Å; V273-G314 PolarHBondContact O-N 3.02Å |
| 274 | D | 96 | Very high | 94.8 | Very high | 44 Ų | 44 | 32.2 Ų | 32.2 | 24% | 0.235 | 16% | 0.164 | C | C | . | . | trans | 50.9 | 34.7 | 178.3 | -48.9 | -61.6 | 0 | 0 | 0 | 114.3 | T236 S238 D239 R276 S313 | T236-D274 PolarHBondContact O-N 3.37Å; S238-D274 PolarHBondContact O-N 3.42Å; D239-D274 WeakPolarHBondContact CA-OD1 3.48Å; D274-R276 PolarHBondContact O-N 3.36Å; D274-S313 WeakPolarHBondContact CB-OG 3.45Å; D274-S313 PolarHBondContact OD2-OG 2.89Å | ||
| 275 | T | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -64.6 | -23.6 | -171.9 | 50.8 | 0 | 0 | 0 | 0 | 113.7 | A235 T236 N237 V272 V273 K277 F280 | A235-T275 HydrophobicContact CB-CG2 4.13Å; T236-T275 WeakPolarHBondContact O-CG2 3.45Å; T236-T275 PolarHBondContact O-N 3.18Å; T236-T275 PolarHBondContact O-OG1 3.06Å; N237-T275 PolarHBondContact N-OG1 3.02Å; N237-T275 PolarHBondContact OD1-OG1 3.45Å; V272-T275 HydrophobicContact CB-CG2 4.09Å; V272-T275 HydrophobicContact CG1-CG2 3.75Å; V273-T275 PolarHBondContact O-N 3.06Å; T275-K277 VanDerWaalsContact C-N 3.3Å; T275-K277 PolarHBondContact O-N 3.15Å; T275-F280 HydrophobicContact CG2-CD2 3.84Å; T275-F280 HydrophobicContact CG2-CE2 3.8Å; T275-F280 HydrophobicContact CG2-CG 4.35Å; T275-F280 HydrophobicContact CG2-CZ 4.29Å; T275-F280 WeakPolarHBondContact O-CB 3.39Å | ||
| 276 | R | 93.7 | Very high | 94.7 | Very high | 168 Ų | 168 | 34.3 Ų | 34.3 | 63% | 0.634 | 18% | 0.184 | S | C | * | . | trans | 55.5 | 40.3 | -178.3 | -59.6 | -178.8 | -178.6 | -166.2 | -4.1 | 113.1 | N237 D274 L279 | N237-R276 WeakPolarHBondContact OD1-CA 3.43Å; N237-R276 PolarHBondContact OD1-N 2.88Å; D274-R276 PolarHBondContact O-N 3.36Å; R276-L279 VanDerWaalsContact O-CB 3.26Å; R276-L279 WeakPolarHBondContact O-CB 3.35Å; R276-L279 PolarHBondContact O-N 3.3Å | ||
| 277 | K | 95.2 | Very high | 94.8 | Very high | 12 Ų | 12 | 33.8 Ų | 33.8 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | 134.2 | 171.1 | -63.8 | 172.4 | -63.7 | 168.7 | 0 | 109.3 | D39 A235 N237 T275 F280 F281 Y333 D341 | D39-K277 IonicContact OD1-NZ 3.93Å; D39-K277 PolarHBondContact OD1-NZ 3.44Å; D39-K277 VanDerWaalsContact OD1-NZ 3.1Å; D39-K277 IonicContact OD2-NZ 2.69Å; D39-K277 PolarHBondContact OD2-NZ 3.35Å; A235-K277 PolarHBondContact O-NZ 2.86Å; N237-K277 PolarHBondContact ND2-O 2.94Å; N237-K277 WeakPolarHBondContact OD1-CB 3.26Å; N237-K277 WeakPolarHBondContact OD1-CE 3.41Å; N237-K277 PolarHBondContact OD1-N 3.22Å; T275-K277 VanDerWaalsContact C-N 3.3Å; T275-K277 PolarHBondContact O-N 3.15Å; K277-F280 HydrophobicContact CB-CB 4.49Å; K277-F280 HydrophobicContact CG-CB 3.7Å; K277-F280 HydrophobicContact CG-CD1 4.32Å; K277-F280 HydrophobicContact CG-CG 4.24Å; K277-F281 HydrophobicContact CB-CE2 4.34Å; K277-F281 HydrophobicContact CD-CE2 3.87Å; K277-F281 HydrophobicContact CD-CZ 4.21Å; K277-F281 HydrophobicContact CG-CD2 4.43Å; K277-F281 HydrophobicContact CG-CE2 3.83Å; K277-F281 HydrophobicContact CG-CZ 4.48Å; K277-Y333 PolarHBondContact NZ-OH 3.44Å; K277-Y333 VanDerWaalsContact NZ-OH 3.08Å; K277-D341 VanDerWaalsContact CD-OD1 3.29Å; K277-D341 WeakPolarHBondContact CD-OD1 3.35Å; K277-D341 WeakPolarHBondContact CE-OD1 3.47Å; K277-D341 IonicContact NZ-OD1 3.25Å; K277-D341 PolarHBondContact NZ-OD1 3.28Å |
| 278 | P | 93.4 | Very high | 94.7 | Very high | 47 Ų | 47 | 37.3 Ų | 37.3 | 31% | 0.305 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -88.2 | -3.8 | 13.6 | 34.6 | -37.6 | 0 | 0 | 0 | 116.3 | F280 F281 F339 K344 | P278-F280 PolarHBondContact O-N 3.44Å; P278-F281 PolarHBondContact O-N 3.11Å; P278-F281 VanDerWaalsContact O-N 3.14Å; P278-F339 HydrophobicContact CB-CE1 4.43Å; P278-F339 HydrophobicContact CG-CE1 4.07Å; P278-K344 HydrophobicContact CB-CB 4.3Å; P278-K344 HydrophobicContact CB-CD 4.19Å; P278-K344 HydrophobicContact CB-CG 3.71Å |
| 279 | L | 94.3 | Very high | 94.6 | Very high | 75 Ų | 75 | 38.4 Ų | 38.4 | 39% | 0.393 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -59.7 | -31.2 | -178.4 | -177.9 | 63.4 | 0 | 0 | 0 | 111.6 | R276 F281 A282 G284 T285 | R276-L279 VanDerWaalsContact O-CB 3.26Å; R276-L279 WeakPolarHBondContact O-CB 3.35Å; R276-L279 PolarHBondContact O-N 3.3Å; L279-F281 VanDerWaalsContact C-N 3.27Å; L279-F281 PolarHBondContact O-N 3.49Å; L279-A282 HydrophobicContact CD1-CB 4.4Å; L279-A282 CarbonylContact O-C 3.58Å; L279-A282 WeakPolarHBondContact O-CA 3.36Å; L279-A282 VanDerWaalsContact O-CB 3.3Å; L279-A282 WeakPolarHBondContact O-CB 3.44Å; L279-A282 PolarHBondContact O-N 3.46Å; L279-G284 VanDerWaalsContact O-CA 3.29Å; L279-G284 WeakPolarHBondContact O-CA 3.49Å; L279-G284 PolarHBondContact O-N 3Å; L279-T285 HydrophobicContact CD2-CG2 3.95Å |
| 280 | F | 95.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -49.9 | -40.6 | 173.2 | -171.7 | -109.2 | 0 | 0 | 0 | 114.8 | A235 V272 T275 K277 P278 A282 S316 S317 V320 | A235-F280 HydrophobicContact CB-CE1 4.39Å; A235-F280 HydrophobicContact CB-CZ 4.47Å; V272-F280 HydrophobicContact CG1-CE2 4.48Å; T275-F280 HydrophobicContact CG2-CD2 3.84Å; T275-F280 HydrophobicContact CG2-CE2 3.8Å; T275-F280 HydrophobicContact CG2-CG 4.35Å; T275-F280 HydrophobicContact CG2-CZ 4.29Å; T275-F280 WeakPolarHBondContact O-CB 3.39Å; K277-F280 HydrophobicContact CB-CB 4.49Å; K277-F280 HydrophobicContact CG-CB 3.7Å; K277-F280 HydrophobicContact CG-CD1 4.32Å; K277-F280 HydrophobicContact CG-CG 4.24Å; P278-F280 PolarHBondContact O-N 3.44Å; F280-A282 PolarHBondContact O-N 2.67Å; F280-S316 CarbonylContact O-C 3.57Å; F280-S316 WeakPolarHBondContact O-CA 3.15Å; F280-S317 PolarHBondContact O-N 3.04Å; F280-V320 HydrophobicContact CE2-CG2 4.39Å; F280-V320 HydrophobicContact CZ-CG2 3.63Å |
| 281 | F | 92.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -84.8 | 5.6 | 179.6 | -60.1 | -68.5 | 0 | 0 | 0 | 113 | K277 P278 L279 Y333 G340 K344 R348 Q349 W351 | K277-F281 HydrophobicContact CB-CE2 4.34Å; K277-F281 HydrophobicContact CD-CE2 3.87Å; K277-F281 HydrophobicContact CD-CZ 4.21Å; K277-F281 HydrophobicContact CG-CD2 4.43Å; K277-F281 HydrophobicContact CG-CE2 3.83Å; K277-F281 HydrophobicContact CG-CZ 4.48Å; P278-F281 PolarHBondContact O-N 3.11Å; P278-F281 VanDerWaalsContact O-N 3.14Å; L279-F281 VanDerWaalsContact C-N 3.27Å; L279-F281 PolarHBondContact O-N 3.49Å; F281-Y333 HydrophobicContact CE2-CE1 4.48Å; F281-Y333 HydrophobicContact CZ-CD1 4.07Å; F281-Y333 AromaticContact CZ-CE1 3.69Å; F281-Y333 HydrophobicContact CZ-CE1 3.69Å; F281-G340 VanDerWaalsContact CD2-O 3.25Å; F281-G340 WeakPolarHBondContact CD2-O 3.27Å; F281-G340 WeakPolarHBondContact CE2-O 3.36Å; F281-K344 HydrophobicContact CB-CB 4.13Å; F281-K344 HydrophobicContact CD2-CB 3.96Å; F281-K344 HydrophobicContact CG-CB 4.31Å; F281-R348 WeakPolarHBondContact O-CB 3.4Å; F281-R348 WeakPolarHBondContact O-CD 3.47Å; F281-Q349 HydrophobicContact CD1-CG 4.45Å; F281-W351 AromaticContact CE1-CE3 3.91Å; F281-W351 HydrophobicContact CE1-CE3 3.91Å; F281-W351 HydrophobicContact CE1-CH2 4.15Å; F281-W351 AromaticContact CE1-CZ3 3.62Å; F281-W351 HydrophobicContact CE1-CZ3 3.62Å; F281-W351 HydrophobicContact CZ-CZ3 4.42Å |
| 282 | A | 90.7 | Very high | 94.2 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 14% | 0.14 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -131.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | L279 F280 G284 | L279-A282 HydrophobicContact CD1-CB 4.4Å; L279-A282 CarbonylContact O-C 3.58Å; L279-A282 WeakPolarHBondContact O-CA 3.36Å; L279-A282 VanDerWaalsContact O-CB 3.3Å; L279-A282 WeakPolarHBondContact O-CB 3.44Å; L279-A282 PolarHBondContact O-N 3.46Å; F280-A282 PolarHBondContact O-N 2.67Å; A282-G284 PolarHBondContact O-N 3.14Å |
| 283 | D | 89.8 | Confident | 93.8 | Very high | 150 Ų | 150 | 47.2 Ų | 47.2 | 80% | 0.802 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -14.7 | 179.5 | -49.9 | -44.9 | 0 | 0 | 0 | 112.7 | ||
| 284 | G | 93.1 | Very high | 93.5 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | trans | 62.1 | -154.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L279 A282 G315 | L279-G284 VanDerWaalsContact O-CA 3.29Å; L279-G284 WeakPolarHBondContact O-CA 3.49Å; L279-G284 PolarHBondContact O-N 3Å; A282-G284 PolarHBondContact O-N 3.14Å; G284-G315 CarbonylContact C-O 3.56Å; G284-G315 VanDerWaalsContact CA-O 3.25Å; G284-G315 WeakPolarHBondContact CA-O 3.4Å | ||
| 285 | T | 94.4 | Very high | 93.3 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | trans | -135.1 | 174.1 | 173.7 | 58.9 | 0 | 0 | 0 | 0 | 110.1 | L279 L287 G314 G315 | L279-T285 HydrophobicContact CD2-CG2 3.95Å; T285-L287 PolarHBondContact O-N 3.46Å; T285-G314 WeakPolarHBondContact OG1-CA 3.3Å; T285-G315 PolarHBondContact N-O 3.21Å; T285-G315 CarbonylContact O-C 3.58Å; T285-G315 WeakPolarHBondContact O-CA 3.41Å; T285-G315 PolarHBondContact O-N 3.3Å; T285-G315 PolarHBondContact OG1-N 2.8Å | ||
| 286 | V | 93.6 | Very high | 93.1 | Very high | 73 Ų | 73 | 56.8 Ų | 56.8 | 44% | 0.442 | 30% | 0.295 | S | S | . | . | trans | -60 | 128.5 | 175.1 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | R288 T301 | V286-R288 PolarHBondContact O-N 2.82Å; V286-T301 HydrophobicContact CG1-CG2 3.74Å; V286-T301 WeakPolarHBondContact CG1-OG1 3.41Å | ||
| 287 | L | 94.4 | Very high | 93.1 | Very high | 13 Ų | 13 | 52.7 Ų | 52.7 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | trans | -71.2 | 127.1 | 173.5 | -170.7 | 75.4 | 0 | 0 | 0 | 110.6 | T285 Y302 Y312 I319 L323 | T285-L287 PolarHBondContact O-N 3.46Å; L287-Y302 HydrophobicContact CD2-CD1 3.87Å; L287-Y302 HydrophobicContact CD2-CG 4.42Å; L287-Y302 PolarHBondContact O-N 3.12Å; L287-Y312 HydrophobicContact CD1-CD1 4.31Å; L287-Y312 HydrophobicContact CD1-CG 4.32Å; L287-Y312 HydrophobicContact CD2-CD1 4.12Å; L287-Y312 HydrophobicContact CG-CD1 4.25Å; L287-I319 HydrophobicContact CB-CD1 4.15Å; L287-I319 HydrophobicContact CD1-CG2 4.13Å; L287-I319 HydrophobicContact CD2-CG2 3.76Å; L287-I319 HydrophobicContact CG-CG2 4.41Å; L287-L323 HydrophobicContact CD2-CD1 4.47Å | ||
| 288 | R | 94.1 | Very high | 92.8 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 32% | 0.317 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 157.5 | 177.8 | -63.9 | -65.6 | -126.9 | -90.2 | -4 | 110.5 | V286 L297 G300 Y312 S313 | V286-R288 PolarHBondContact O-N 2.82Å; R288-L297 HydrophobicContact CB-CD1 4.39Å; R288-L297 HydrophobicContact CB-CD2 4.46Å; R288-L297 HydrophobicContact CG-CD1 4.4Å; R288-G300 WeakPolarHBondContact CD-O 3.43Å; R288-G300 PolarHBondContact NE-O 2.74Å; R288-Y312 CarbonylContact O-C 3.52Å; R288-Y312 VanDerWaalsContact O-CA 3.25Å; R288-Y312 WeakPolarHBondContact O-CA 3.44Å; R288-S313 PolarHBondContact N-O 3.14Å; R288-S313 PolarHBondContact O-N 2.92Å |
| 289 | Q | 94.5 | Very high | 92.5 | Very high | 27 Ų | 27 | 64.4 Ų | 64.4 | 13% | 0.126 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 135.5 | 170.5 | -170.3 | 179.3 | 34.9 | 0 | 0 | 109.6 | R298 Y302 T310 | Q289-R298 HydrophobicContact CB-CB 4.44Å; Q289-R298 WeakPolarHBondContact O-CB 3.31Å; Q289-R298 PolarHBondContact O-N 2.99Å; Q289-R298 VanDerWaalsContact OE1-CD 3.23Å; Q289-Y302 HydrophobicContact CB-CD2 4.04Å; Q289-T310 HydrophobicContact CG-CG2 3.69Å |
| 290 | V | 95.3 | Very high | 91.9 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 3% | 0.03 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -87.3 | 132.1 | 173.7 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | Y240 V273 T292 L297 V311 | Y240-V290 HydrophobicContact CD1-CG1 3.85Å; Y240-V290 HydrophobicContact CD2-CG1 4.17Å; Y240-V290 HydrophobicContact CE1-CG1 4.47Å; Y240-V290 HydrophobicContact CG-CG1 3.66Å; V273-V290 HydrophobicContact CG2-CG2 3.92Å; V290-T292 PolarHBondContact O-N 3.43Å; V290-L297 HydrophobicContact CG2-CD2 3.84Å; V290-V311 HydrophobicContact CB-CB 4.1Å; V290-V311 HydrophobicContact CB-CG1 4.13Å; V290-V311 HydrophobicContact CG2-CB 4.34Å; V290-V311 HydrophobicContact CG2-CG1 3.88Å; V290-V311 PolarHBondContact N-O 2.68Å |
| 291 | D | 93.5 | Very high | 91.3 | Very high | 38 Ų | 38 | 66.6 Ų | 66.6 | 20% | 0.203 | 36% | 0.358 | C | S | . | . | trans | -77.7 | 106.7 | 162.9 | 175.4 | 9.5 | 0 | 0 | 0 | 108.9 | D293 T294 G295 K296 R298 | D291-D293 PolarHBondContact O-N 3.19Å; D291-D293 PolarHBondContact OD1-N 3.05Å; D291-T294 PolarHBondContact O-N 2.78Å; D291-T294 VanDerWaalsContact OD2-CG2 3.29Å; D291-T294 WeakPolarHBondContact OD2-CG2 3.38Å; D291-T294 PolarHBondContact OD2-OG1 2.92Å; D291-G295 VanDerWaalsContact O-CA 3.26Å; D291-G295 WeakPolarHBondContact O-CA 3.36Å; D291-G295 PolarHBondContact O-N 2.78Å; D291-K296 WeakPolarHBondContact CB-O 3.39Å; D291-K296 PolarHBondContact N-O 3.24Å; D291-R298 HydrophobicContact CB-CG 4.21Å | ||
| 292 | T | 92.1 | Very high | 90.8 | Very high | 35 Ų | 35 | 68.1 Ų | 68.1 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -13.9 | -172.4 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | Y240 R265 V290 V311 | Y240-T292 HydrophobicContact CE2-CG2 4.14Å; Y240-T292 WeakPolarHBondContact OH-CB 3.48Å; R265-T292 PolarHBondContact NH1-OG1 2.77Å; V290-T292 PolarHBondContact O-N 3.43Å; T292-V311 HydrophobicContact CG2-CB 4.24Å; T292-V311 HydrophobicContact CG2-CG2 3.91Å |
| 293 | D | 91 | Very high | 90.3 | Very high | 152 Ų | 152 | 73.7 Ų | 73.7 | 81% | 0.813 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -33.9 | 177.3 | -62.7 | -33.8 | 0 | 0 | 0 | 111.4 | D291 | D291-D293 PolarHBondContact O-N 3.19Å; D291-D293 PolarHBondContact OD1-N 3.05Å |
| 294 | T | 91.3 | Very high | 89.9 | Confident | 76 Ų | 76 | 68.2 Ų | 68.2 | 47% | 0.466 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -15.6 | -178.5 | 65.8 | 0 | 0 | 0 | 0 | 114 | D291 K296 | D291-T294 PolarHBondContact O-N 2.78Å; D291-T294 VanDerWaalsContact OD2-CG2 3.29Å; D291-T294 WeakPolarHBondContact OD2-CG2 3.38Å; D291-T294 PolarHBondContact OD2-OG1 2.92Å; T294-K296 PolarHBondContact O-N 3.27Å; T294-K296 PolarHBondContact OG1-N 2.8Å |
| 295 | G | 90.4 | Very high | 89.4 | Confident | 15 Ų | 15 | 74.6 Ų | 74.6 | 16% | 0.155 | 41% | 0.408 | C | S | . | . | trans | 70.1 | 7.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N241 D291 | N241-G295 WeakPolarHBondContact OD1-CA 3.21Å; D291-G295 VanDerWaalsContact O-CA 3.26Å; D291-G295 WeakPolarHBondContact O-CA 3.36Å; D291-G295 PolarHBondContact O-N 2.78Å | ||
| 296 | K | 92.4 | Very high | 88.9 | Confident | 153 Ų | 153 | 75.6 Ų | 75.6 | 67% | 0.665 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -93.5 | 156.5 | -177.9 | -65 | -178.2 | -178.9 | 177.7 | 0 | 111.6 | D291 T294 | D291-K296 WeakPolarHBondContact CB-O 3.39Å; D291-K296 PolarHBondContact N-O 3.24Å; T294-K296 PolarHBondContact O-N 3.27Å; T294-K296 PolarHBondContact OG1-N 2.8Å |
| 297 | L | 92.9 | Very high | 88.3 | Confident | 82 Ų | 82 | 77.3 Ų | 77.3 | 43% | 0.429 | 41% | 0.414 | S | S | . | . | B | Isolated β-bridge | trans | -76.3 | 132.3 | 173.8 | -55.9 | -175 | 0 | 0 | 0 | 110.6 | R288 V290 S313 | R288-L297 HydrophobicContact CB-CD1 4.39Å; R288-L297 HydrophobicContact CB-CD2 4.46Å; R288-L297 HydrophobicContact CG-CD1 4.4Å; V290-L297 HydrophobicContact CG2-CD2 3.84Å; L297-S313 VanDerWaalsContact CD2-CB 3.4Å |
| 298 | R | 90.4 | Very high | 87.5 | Confident | 129 Ų | 129 | 83.4 Ų | 83.4 | 49% | 0.487 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 146.3 | 168.1 | -66.6 | -178.3 | 174.9 | -168.8 | -4.9 | 109.9 | Q289 D291 | Q289-R298 HydrophobicContact CB-CB 4.44Å; Q289-R298 WeakPolarHBondContact O-CB 3.31Å; Q289-R298 PolarHBondContact O-N 2.99Å; Q289-R298 VanDerWaalsContact OE1-CD 3.23Å; D291-R298 HydrophobicContact CB-CG 4.21Å |
| 299 | I | 85.9 | Confident | 86.7 | Confident | 177 Ų | 177 | 81.2 Ų | 81.2 | 91% | 0.908 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -72.5 | 135.1 | -179.5 | -59.9 | 177 | 0 | 0 | 0 | 109.4 | ||
| 300 | G | 82.3 | Confident | 86.4 | Confident | 38 Ų | 38 | 81 Ų | 81 | 39% | 0.392 | 45% | 0.446 | S | S | . | . | S | Bend | trans | 101.3 | 162.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R288 | R288-G300 WeakPolarHBondContact CD-O 3.43Å; R288-G300 PolarHBondContact NE-O 2.74Å |
| 301 | T | 82.7 | Confident | 86.4 | Confident | 84 Ų | 84 | 80.8 Ų | 80.8 | 52% | 0.515 | 45% | 0.445 | S | S | . | . | trans | -75.9 | 135 | 172.2 | -56.3 | 0 | 0 | 0 | 0 | 109.3 | V286 T303 | V286-T301 HydrophobicContact CG1-CG2 3.74Å; V286-T301 WeakPolarHBondContact CG1-OG1 3.41Å; T301-T303 HydrophobicContact CG2-CG2 4.45Å; T301-T303 PolarHBondContact O-N 2.84Å | ||
| 302 | Y | 81.8 | Confident | 86.6 | Confident | 33 Ų | 33 | 79 Ų | 79 | 13% | 0.129 | 44% | 0.435 | C | S | . | . | trans | -74.3 | 125.1 | 173.2 | -174.4 | -95 | 0 | 0 | 0 | 110.3 | L287 Q289 G304 D305 Y312 | L287-Y302 HydrophobicContact CD2-CD1 3.87Å; L287-Y302 HydrophobicContact CD2-CG 4.42Å; L287-Y302 PolarHBondContact O-N 3.12Å; Q289-Y302 HydrophobicContact CB-CD2 4.04Å; Y302-G304 VanDerWaalsContact CE1-C 3.49Å; Y302-G304 WeakPolarHBondContact CE1-O 3.5Å; Y302-D305 PolarHBondContact OH-O 2.88Å; Y302-Y312 HydrophobicContact CD1-CD1 4.21Å; Y302-Y312 AromaticContact CD1-CE1 3.59Å; Y302-Y312 HydrophobicContact CD1-CE1 3.59Å; Y302-Y312 HydrophobicContact CD2-CE1 4.26Å; Y302-Y312 AromaticContact CE1-CE1 3.47Å; Y302-Y312 HydrophobicContact CE1-CE1 3.47Å; Y302-Y312 VanDerWaalsContact CE1-CE1 3.47Å; Y302-Y312 HydrophobicContact CE2-CE1 4.18Å; Y302-Y312 HydrophobicContact CG-CD1 4.37Å; Y302-Y312 AromaticContact CG-CE1 3.96Å; Y302-Y312 HydrophobicContact CG-CE1 3.96Å; Y302-Y312 AromaticContact CZ-CE1 3.78Å | ||
| 303 | T | 80.3 | Confident | 86.8 | Confident | 134 Ų | 134 | 77.6 Ų | 77.6 | 82% | 0.822 | 43% | 0.427 | S | S | * | . | trans | -126.5 | 16.7 | -178.9 | 63.3 | 0 | 0 | 0 | 0 | 112.7 | T301 | T301-T303 HydrophobicContact CG2-CG2 4.45Å; T301-T303 PolarHBondContact O-N 2.84Å | ||
| 304 | G | 81.1 | Confident | 87 | Confident | 35 Ų | 35 | 70.5 Ų | 70.5 | 36% | 0.361 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -93 | 175.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y302 | Y302-G304 VanDerWaalsContact CE1-C 3.49Å; Y302-G304 WeakPolarHBondContact CE1-O 3.5Å |
| 305 | D | 83.2 | Confident | 87.2 | Confident | 144 Ų | 144 | 66.9 Ų | 66.9 | 77% | 0.77 | 37% | 0.368 | S | S | * | . | trans | -76.3 | 160.4 | 172.3 | -59.8 | -41.4 | 0 | 0 | 0 | 112.1 | Y302 Q307 | Y302-D305 PolarHBondContact OH-O 2.88Å; D305-Q307 PolarHBondContact O-N 3.07Å | ||
| 306 | L | 83.1 | Confident | 87.5 | Confident | 61 Ų | 61 | 66.7 Ų | 66.7 | 32% | 0.319 | 36% | 0.364 | S | S | . | . | trans | -55.1 | 113.1 | 177.8 | 179.9 | 59 | 0 | 0 | 0 | 112.3 | L270 Y312 L323 L324 | L270-L306 HydrophobicContact CD1-CD1 3.47Å; L270-L306 VanDerWaalsContact CD1-CD1 3.47Å; L306-Y312 HydrophobicContact CD1-CE2 3.92Å; L306-L323 HydrophobicContact CB-CB 4.47Å; L306-L323 HydrophobicContact CB-CD2 4.14Å; L306-L323 WeakPolarHBondContact CD2-O 3.46Å; L306-L324 HydrophobicContact CD2-CD2 4.02Å | ||
| 307 | Q | 81.3 | Confident | 87.6 | Confident | 108 Ų | 108 | 59.4 Ų | 59.4 | 51% | 0.505 | 33% | 0.333 | S | S | . | . | trans | -99.6 | 123.5 | 173.7 | -70.8 | 179.9 | 0.4 | 0 | 0 | 111.8 | D305 G309 T310 Y312 | D305-Q307 PolarHBondContact O-N 3.07Å; Q307-G309 PolarHBondContact O-N 2.85Å; Q307-T310 VanDerWaalsContact CB-OG1 3.31Å; Q307-T310 WeakPolarHBondContact CB-OG1 3.32Å; Q307-T310 VanDerWaalsContact O-CB 3.22Å; Q307-T310 WeakPolarHBondContact O-CB 3.08Å; Q307-T310 PolarHBondContact O-N 2.78Å; Q307-T310 VanDerWaalsContact O-N 3.12Å; Q307-T310 PolarHBondContact O-OG1 3.25Å; Q307-Y312 PolarHBondContact N-OH 3.19Å | ||
| 308 | H | 78.3 | Confident | 87.6 | Confident | 141 Ų | 141 | 59 Ų | 59 | 65% | 0.653 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 134 | 179 | -167.9 | 70.1 | 0 | 0 | 0 | 111.8 | T310 | H308-T310 PolarHBondContact O-N 3.02Š|
| 309 | G | 77.8 | Confident | 87.6 | Confident | 38 Ų | 38 | 55.1 Ų | 55.1 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | -3.5 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q307 | Q307-G309 PolarHBondContact O-N 2.85Š|
| 310 | T | 88.1 | Confident | 87.9 | Confident | 22 Ų | 22 | 46.8 Ų | 46.8 | 14% | 0.135 | 28% | 0.276 | C | S | . | . | trans | -74.2 | 144 | 172.3 | -63.7 | 0 | 0 | 0 | 0 | 110.9 | Q289 Q307 H308 Y312 | Q289-T310 HydrophobicContact CG-CG2 3.69Å; Q307-T310 VanDerWaalsContact CB-OG1 3.31Å; Q307-T310 WeakPolarHBondContact CB-OG1 3.32Å; Q307-T310 VanDerWaalsContact O-CB 3.22Å; Q307-T310 WeakPolarHBondContact O-CB 3.08Å; Q307-T310 PolarHBondContact O-N 2.78Å; Q307-T310 VanDerWaalsContact O-N 3.12Å; Q307-T310 PolarHBondContact O-OG1 3.25Å; H308-T310 PolarHBondContact O-N 3.02Å; T310-Y312 HydrophobicContact CG2-CD1 4.32Å; T310-Y312 HydrophobicContact CG2-CD2 4.48Å; T310-Y312 HydrophobicContact CG2-CE1 3.78Å; T310-Y312 HydrophobicContact CG2-CE2 3.97Å | ||
| 311 | V | 95.1 | Very high | 88.4 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 133.2 | 172.7 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | Y240 V271 V273 V290 T292 | Y240-V311 HydrophobicContact CD2-CB 4.37Å; Y240-V311 HydrophobicContact CD2-CG1 3.8Å; Y240-V311 HydrophobicContact CD2-CG2 4.36Å; Y240-V311 HydrophobicContact CE2-CB 4.32Å; Y240-V311 HydrophobicContact CE2-CG1 4.19Å; Y240-V311 HydrophobicContact CE2-CG2 3.89Å; V271-V311 HydrophobicContact CB-CG1 4.32Å; V271-V311 HydrophobicContact CB-CG2 4.26Å; V271-V311 HydrophobicContact CG1-CG1 3.85Å; V271-V311 HydrophobicContact CG1-CG2 4.27Å; V273-V311 HydrophobicContact CG1-CG1 4.27Å; V273-V311 HydrophobicContact CG2-CG1 4.29Å; V290-V311 HydrophobicContact CB-CB 4.1Å; V290-V311 HydrophobicContact CB-CG1 4.13Å; V290-V311 HydrophobicContact CG2-CB 4.34Å; V290-V311 HydrophobicContact CG2-CG1 3.88Å; V290-V311 PolarHBondContact N-O 2.68Å; T292-V311 HydrophobicContact CG2-CB 4.24Å; T292-V311 HydrophobicContact CG2-CG2 3.91Å |
| 312 | Y | 96.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 158 | 179.1 | -57.2 | -81.6 | 0 | 0 | 0 | 110.9 | L270 V271 V272 V273 L287 R288 Y302 L306 Q307 T310 | L270-Y312 HydrophobicContact CD1-CD2 3.41Å; L270-Y312 VanDerWaalsContact CD1-CD2 3.41Å; L270-Y312 HydrophobicContact CD1-CE2 3.35Å; L270-Y312 HydrophobicContact CG-CD2 4.45Å; V271-Y312 PolarHBondContact O-N 3.34Å; V272-Y312 CarbonylContact C-O 3.56Å; V272-Y312 WeakPolarHBondContact CA-O 3.35Å; V273-Y312 VanDerWaalsContact CG2-O 3.28Å; V273-Y312 WeakPolarHBondContact CG2-O 3.34Å; V273-Y312 PolarHBondContact N-O 3.02Å; L287-Y312 HydrophobicContact CD1-CD1 4.31Å; L287-Y312 HydrophobicContact CD1-CG 4.32Å; L287-Y312 HydrophobicContact CD2-CD1 4.12Å; L287-Y312 HydrophobicContact CG-CD1 4.25Å; R288-Y312 CarbonylContact O-C 3.52Å; R288-Y312 VanDerWaalsContact O-CA 3.25Å; R288-Y312 WeakPolarHBondContact O-CA 3.44Å; Y302-Y312 HydrophobicContact CD1-CD1 4.21Å; Y302-Y312 AromaticContact CD1-CE1 3.59Å; Y302-Y312 HydrophobicContact CD1-CE1 3.59Å; Y302-Y312 HydrophobicContact CD2-CE1 4.26Å; Y302-Y312 AromaticContact CE1-CE1 3.47Å; Y302-Y312 HydrophobicContact CE1-CE1 3.47Å; Y302-Y312 VanDerWaalsContact CE1-CE1 3.47Å; Y302-Y312 HydrophobicContact CE2-CE1 4.18Å; Y302-Y312 HydrophobicContact CG-CD1 4.37Å; Y302-Y312 AromaticContact CG-CE1 3.96Å; Y302-Y312 HydrophobicContact CG-CE1 3.96Å; Y302-Y312 AromaticContact CZ-CE1 3.78Å; L306-Y312 HydrophobicContact CD1-CE2 3.92Å; Q307-Y312 PolarHBondContact N-OH 3.19Å; T310-Y312 HydrophobicContact CG2-CD1 4.32Å; T310-Y312 HydrophobicContact CG2-CD2 4.48Å; T310-Y312 HydrophobicContact CG2-CE1 3.78Å; T310-Y312 HydrophobicContact CG2-CE2 3.97Å |
| 313 | S | 96.9 | Very high | 89.3 | Confident | 6 Ų | 6 | 47.9 Ų | 47.9 | 4% | 0.042 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 138.4 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 109.9 | V273 D274 R288 L297 | V273-S313 CarbonylContact O-C 3.58Å; V273-S313 VanDerWaalsContact O-CA 3.29Å; V273-S313 WeakPolarHBondContact O-CA 3.49Å; D274-S313 WeakPolarHBondContact CB-OG 3.45Å; D274-S313 PolarHBondContact OD2-OG 2.89Å; R288-S313 PolarHBondContact N-O 3.14Å; R288-S313 PolarHBondContact O-N 2.92Å; L297-S313 VanDerWaalsContact CD2-CB 3.4Å |
| 314 | G | 95.9 | Very high | 89.9 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | S | Bend | trans | 74.5 | -127.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | V272 V273 T285 | V272-G314 VanDerWaalsContact CG1-O 3.24Å; V272-G314 WeakPolarHBondContact CG1-O 3.5Å; V273-G314 PolarHBondContact O-N 3.02Å; T285-G314 WeakPolarHBondContact OG1-CA 3.3Å |
| 315 | G | 94.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | trans | 73.8 | -162 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | G284 T285 | G284-G315 CarbonylContact C-O 3.56Å; G284-G315 VanDerWaalsContact CA-O 3.25Å; G284-G315 WeakPolarHBondContact CA-O 3.4Å; T285-G315 PolarHBondContact N-O 3.21Å; T285-G315 CarbonylContact O-C 3.58Å; T285-G315 WeakPolarHBondContact O-CA 3.41Å; T285-G315 PolarHBondContact O-N 3.3Å; T285-G315 PolarHBondContact OG1-N 2.8Å | ||
| 316 | S | 96.2 | Very high | 91.1 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 8% | 0.077 | 22% | 0.22 | C | C | . | . | trans | -138.7 | 167.7 | 176.9 | 71 | 0 | 0 | 0 | 0 | 110.9 | F280 D318 I319 V320 | F280-S316 CarbonylContact O-C 3.57Å; F280-S316 WeakPolarHBondContact O-CA 3.15Å; S316-D318 PolarHBondContact O-N 3.28Å; S316-D318 PolarHBondContact OG-N 3.41Å; S316-I319 PolarHBondContact O-N 3.05Å; S316-I319 PolarHBondContact OG-N 2.88Å; S316-V320 PolarHBondContact O-N 2.87Å | ||
| 317 | S | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.7 | -32.8 | 173.3 | 53.8 | 0 | 0 | 0 | 0 | 113 | F280 V320 S321 Q349 | F280-S317 PolarHBondContact O-N 3.04Å; S317-V320 PolarHBondContact O-N 3.31Å; S317-S321 PolarHBondContact O-N 3.14Å; S317-Q349 VanDerWaalsContact OG-CD 3.28Å; S317-Q349 WeakPolarHBondContact OG-CG 3.49Å; S317-Q349 PolarHBondContact OG-NE2 3.43Å |
| 318 | D | 92.8 | Very high | 91.8 | Very high | 72 Ų | 72 | 36.7 Ų | 36.7 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.6 | -43.9 | -179.7 | -57.1 | -17.1 | 0 | 0 | 0 | 110.1 | S316 V320 S321 D322 Q349 | S316-D318 PolarHBondContact O-N 3.28Å; S316-D318 PolarHBondContact OG-N 3.41Å; D318-V320 VanDerWaalsContact C-N 3.29Å; D318-V320 PolarHBondContact O-N 2.98Å; D318-S321 CarbonylContact O-C 3.6Å; D318-S321 WeakPolarHBondContact O-CA 3.4Å; D318-S321 VanDerWaalsContact O-CB 3.31Å; D318-S321 WeakPolarHBondContact O-CB 3.21Å; D318-S321 PolarHBondContact O-N 3.21Å; D318-S321 VanDerWaalsContact O-N 3.1Å; D318-D322 VanDerWaalsContact O-CG 3.28Å; D318-D322 PolarHBondContact O-N 3.34Å; D318-Q349 PolarHBondContact OD1-NE2 3.43Å; D318-Q349 PolarHBondContact OD1-OE1 3.03Å |
| 319 | I | 91.9 | Very high | 92.6 | Very high | 48 Ų | 48 | 37.2 Ų | 37.2 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.9 | -40.1 | 175 | -66.5 | 175 | 0 | 0 | 0 | 111.2 | L287 S316 D322 L323 | L287-I319 HydrophobicContact CB-CD1 4.15Å; L287-I319 HydrophobicContact CD1-CG2 4.13Å; L287-I319 HydrophobicContact CD2-CG2 3.76Å; L287-I319 HydrophobicContact CG-CG2 4.41Å; S316-I319 PolarHBondContact O-N 3.05Å; S316-I319 PolarHBondContact OG-N 2.88Å; I319-D322 PolarHBondContact O-N 2.97Å; I319-L323 HydrophobicContact CG2-CD1 3.85Å; I319-L323 HydrophobicContact CG2-CG 4.27Å; I319-L323 WeakPolarHBondContact O-CB 3.44Å; I319-L323 VanDerWaalsContact O-CG 3.25Å; I319-L323 WeakPolarHBondContact O-CG 3.39Å; I319-L323 PolarHBondContact O-N 3.07Å |
| 320 | V | 90.5 | Very high | 93.5 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.1 | -43.3 | 175.9 | 168.3 | 0 | 0 | 0 | 0 | 111.2 | F233 L270 V272 F280 S316 S317 D318 L324 | F233-V320 HydrophobicContact CD1-CG1 4.28Å; F233-V320 HydrophobicContact CD2-CG1 4.02Å; F233-V320 HydrophobicContact CE1-CG1 4.26Å; F233-V320 HydrophobicContact CE2-CG1 4Å; F233-V320 HydrophobicContact CG-CG1 4.15Å; F233-V320 HydrophobicContact CZ-CG1 4.11Å; L270-V320 HydrophobicContact CD2-CB 4.06Å; L270-V320 HydrophobicContact CD2-CG1 3.74Å; L270-V320 HydrophobicContact CD2-CG2 3.71Å; V272-V320 HydrophobicContact CG2-CG2 3.95Å; F280-V320 HydrophobicContact CE2-CG2 4.39Å; F280-V320 HydrophobicContact CZ-CG2 3.63Å; S316-V320 PolarHBondContact O-N 2.87Å; S317-V320 PolarHBondContact O-N 3.31Å; D318-V320 VanDerWaalsContact C-N 3.29Å; D318-V320 PolarHBondContact O-N 2.98Å; V320-L324 HydrophobicContact CG1-CD1 3.82Å; V320-L324 WeakPolarHBondContact O-CB 3.17Å; V320-L324 PolarHBondContact O-N 2.99Å |
| 321 | S | 93 | Very high | 93.9 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 11% | 0.105 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -44.2 | 174.9 | -95.3 | 0 | 0 | 0 | 0 | 112.2 | S317 D318 D325 V326 | S317-S321 PolarHBondContact O-N 3.14Å; D318-S321 CarbonylContact O-C 3.6Å; D318-S321 WeakPolarHBondContact O-CA 3.4Å; D318-S321 VanDerWaalsContact O-CB 3.31Å; D318-S321 WeakPolarHBondContact O-CB 3.21Å; D318-S321 PolarHBondContact O-N 3.21Å; D318-S321 VanDerWaalsContact O-N 3.1Å; S321-D325 WeakPolarHBondContact O-CA 3.45Å; S321-D325 PolarHBondContact O-N 3.46Å; S321-V326 WeakPolarHBondContact CA-O 3.41Å; S321-V326 WeakPolarHBondContact CB-O 3.46Å; S321-V326 PolarHBondContact O-N 3.29Å; S321-V326 PolarHBondContact OG-O 3.06Å |
| 322 | D | 92.5 | Very high | 94.1 | Very high | 128 Ų | 128 | 36.7 Ų | 36.7 | 68% | 0.684 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -66.4 | -48.4 | 179 | -67.1 | -19.1 | 0 | 0 | 0 | 111.7 | D318 I319 L324 D325 | D318-D322 VanDerWaalsContact O-CG 3.28Å; D318-D322 PolarHBondContact O-N 3.34Å; I319-D322 PolarHBondContact O-N 2.97Å; D322-L324 VanDerWaalsContact C-N 3.26Å; D322-L324 PolarHBondContact O-N 3.48Å; D322-D325 PolarHBondContact O-N 3.07Å |
| 323 | L | 92.1 | Very high | 94.2 | Very high | 35 Ų | 35 | 36.7 Ų | 36.7 | 18% | 0.183 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63 | -33.9 | -179.7 | -73.1 | 174 | 0 | 0 | 0 | 112.6 | L270 L287 L306 I319 | L270-L323 HydrophobicContact CD1-CD1 4.01Å; L287-L323 HydrophobicContact CD2-CD1 4.47Å; L306-L323 HydrophobicContact CB-CB 4.47Å; L306-L323 HydrophobicContact CB-CD2 4.14Å; L306-L323 WeakPolarHBondContact CD2-O 3.46Å; I319-L323 HydrophobicContact CG2-CD1 3.85Å; I319-L323 HydrophobicContact CG2-CG 4.27Å; I319-L323 WeakPolarHBondContact O-CB 3.44Å; I319-L323 VanDerWaalsContact O-CG 3.25Å; I319-L323 WeakPolarHBondContact O-CG 3.39Å; I319-L323 PolarHBondContact O-N 3.07Å |
| 324 | L | 93.6 | Very high | 94.3 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -95.5 | -1.2 | -179.7 | -68.7 | 172.3 | 0 | 0 | 0 | 113.2 | K231 F233 D269 L270 L306 V320 D322 V326 | K231-L324 HydrophobicContact CD-CB 4.42Å; K231-L324 HydrophobicContact CD-CD2 4.21Å; K231-L324 WeakPolarHBondContact CD-O 3.46Å; K231-L324 PolarHBondContact NZ-O 3.16Å; F233-L324 HydrophobicContact CB-CD1 3.87Å; F233-L324 HydrophobicContact CD1-CD1 3.72Å; F233-L324 HydrophobicContact CG-CD1 4.02Å; D269-L324 HydrophobicContact CB-CD2 4.17Å; L270-L324 HydrophobicContact CB-CD1 4.11Å; L270-L324 HydrophobicContact CB-CD2 3.92Å; L270-L324 HydrophobicContact CB-CG 4.19Å; L270-L324 HydrophobicContact CD2-CD1 3.97Å; L270-L324 HydrophobicContact CD2-CG 4.14Å; L306-L324 HydrophobicContact CD2-CD2 4.02Å; V320-L324 HydrophobicContact CG1-CD1 3.82Å; V320-L324 WeakPolarHBondContact O-CB 3.17Å; V320-L324 PolarHBondContact O-N 2.99Å; D322-L324 VanDerWaalsContact C-N 3.26Å; D322-L324 PolarHBondContact O-N 3.48Å; L324-V326 VanDerWaalsContact C-N 3.31Å; L324-V326 HydrophobicContact CB-CG2 3.65Å; L324-V326 PolarHBondContact O-N 2.87Å |
| 325 | D | 94.3 | Very high | 94.4 | Very high | 139 Ų | 139 | 36.3 Ų | 36.3 | 74% | 0.743 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 52.3 | -176.5 | -171.5 | 36.2 | 0 | 0 | 0 | 111.9 | S321 D322 | S321-D325 WeakPolarHBondContact O-CA 3.45Å; S321-D325 PolarHBondContact O-N 3.46Å; D322-D325 PolarHBondContact O-N 3.07Å |
| 326 | V | 94.4 | Very high | 94.5 | Very high | 15 Ų | 15 | 36.5 Ų | 36.5 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | trans | -139.8 | 146.3 | -179.2 | -70.6 | 0 | 0 | 0 | 0 | 111.4 | K34 C35 S321 L324 I331 | K34-V326 HydrophobicContact CB-CG1 4.39Å; C35-V326 HydrophobicContact CB-CB 4.33Å; C35-V326 HydrophobicContact CB-CG1 4.08Å; C35-V326 HydrophobicContact CB-CG2 4.03Å; S321-V326 WeakPolarHBondContact CA-O 3.41Å; S321-V326 WeakPolarHBondContact CB-O 3.46Å; S321-V326 PolarHBondContact O-N 3.29Å; S321-V326 PolarHBondContact OG-O 3.06Å; L324-V326 VanDerWaalsContact C-N 3.31Å; L324-V326 HydrophobicContact CB-CG2 3.65Å; L324-V326 PolarHBondContact O-N 2.87Å; V326-I331 HydrophobicContact CB-CD1 4.48Å; V326-I331 HydrophobicContact CB-CG1 4.25Å; V326-I331 HydrophobicContact CG2-CD1 3.86Å; V326-I331 HydrophobicContact CG2-CG1 3.94Å | ||
| 327 | S | 90.8 | Very high | 94.6 | Very high | 72 Ų | 72 | 37.9 Ų | 37.9 | 50% | 0.503 | 21% | 0.205 | S | C | . | . | trans | -121.9 | 144.7 | -172.7 | 76.4 | 0 | 0 | 0 | 0 | 112.1 | K329 D330 | S327-K329 PolarHBondContact O-N 2.99Å; S327-D330 PolarHBondContact N-OD2 3.49Å; S327-D330 WeakPolarHBondContact O-CB 3.07Å; S327-D330 VanDerWaalsContact O-CG 3.3Å; S327-D330 PolarHBondContact O-N 3.19Å; S327-D330 VanDerWaalsContact O-OD2 3.11Å; S327-D330 PolarHBondContact OG-OD2 3.36Å | ||
| 328 | G | 88.9 | Confident | 94.6 | Very high | 20 Ų | 20 | 37.9 Ų | 37.9 | 21% | 0.206 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | 31.4 | -98.6 | 160.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | D330 I331 W351 | G328-D330 VanDerWaalsContact C-N 3.3Å; G328-D330 PolarHBondContact O-N 3.32Å; G328-I331 PolarHBondContact O-N 2.94Å; G328-W351 WeakPolarHBondContact O-CA 3.35Å |
| 329 | K | 93.8 | Very high | 94.5 | Very high | 152 Ų | 152 | 38 Ų | 38 | 66% | 0.661 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -74.6 | -12.4 | -173.1 | -66.5 | 177.8 | -176.9 | 171.1 | 0 | 114.9 | S327 I331 | S327-K329 PolarHBondContact O-N 2.99Å; K329-I331 PolarHBondContact O-N 2.94Å |
| 330 | D | 96.5 | Very high | 94.4 | Very high | 51 Ų | 51 | 35.7 Ų | 35.7 | 27% | 0.273 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -74.4 | -15.3 | 174.9 | -53 | -38.9 | 0 | 0 | 0 | 111.5 | I33 K34 C35 S327 G328 | I33-D330 CarbonylContact C-O 3.51Å; K34-D330 HydrophobicContact CB-CB 4.14Å; K34-D330 HydrophobicContact CG-CB 4.18Å; K34-D330 PolarHBondContact N-O 2.86Å; C35-D330 PolarHBondContact N-O 3.14Å; S327-D330 PolarHBondContact N-OD2 3.49Å; S327-D330 WeakPolarHBondContact O-CB 3.07Å; S327-D330 VanDerWaalsContact O-CG 3.3Å; S327-D330 PolarHBondContact O-N 3.19Å; S327-D330 VanDerWaalsContact O-OD2 3.11Å; S327-D330 PolarHBondContact OG-OD2 3.36Å; G328-D330 VanDerWaalsContact C-N 3.3Å; G328-D330 PolarHBondContact O-N 3.32Å |
| 331 | I | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 124.6 | -175 | -55.7 | 171.7 | 0 | 0 | 0 | 109.9 | C35 F233 V326 G328 K329 W351 K352 | C35-I331 HydrophobicContact CB-CG1 4.12Å; C35-I331 WeakPolarHBondContact O-CA 3.27Å; F233-I331 HydrophobicContact CE1-CG2 3.9Å; F233-I331 HydrophobicContact CZ-CG2 4.14Å; V326-I331 HydrophobicContact CB-CD1 4.48Å; V326-I331 HydrophobicContact CB-CG1 4.25Å; V326-I331 HydrophobicContact CG2-CD1 3.86Å; V326-I331 HydrophobicContact CG2-CG1 3.94Å; G328-I331 PolarHBondContact O-N 2.94Å; K329-I331 PolarHBondContact O-N 2.94Å; I331-W351 HydrophobicContact CB-CD2 4.25Å; I331-W351 HydrophobicContact CB-CG 4.29Å; I331-W351 HydrophobicContact CD1-CD2 4.27Å; I331-W351 HydrophobicContact CD1-CH2 4.4Å; I331-W351 HydrophobicContact CD1-CZ2 3.61Å; I331-W351 HydrophobicContact CG2-CD2 3.91Å; I331-W351 HydrophobicContact CG2-CE3 3.94Å; I331-W351 HydrophobicContact CG2-CG 4.37Å; I331-W351 HydrophobicContact CG2-CH2 4.46Å; I331-W351 HydrophobicContact CG2-CZ2 4.49Å; I331-W351 HydrophobicContact CG2-CZ3 4.19Å; I331-K352 WeakPolarHBondContact O-CA 3.5Å; I331-K352 VanDerWaalsContact O-CB 3.3Å; I331-K352 WeakPolarHBondContact O-CB 3.29Å; I331-K352 PolarHBondContact O-N 3.08Å |
| 332 | L | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 108.6 | 162.2 | -178.9 | 61.7 | 0 | 0 | 0 | 109 | L28 L30 I33 C35 Y36 G37 I334 K352 F354 | L28-L332 HydrophobicContact CD1-CD1 4.04Å; L30-L332 HydrophobicContact CD2-CD2 4.33Å; I33-L332 HydrophobicContact CD1-CB 4.21Å; I33-L332 HydrophobicContact CG1-CB 4.28Å; I33-L332 HydrophobicContact CG2-CB 3.67Å; C35-L332 PolarHBondContact O-N 3.36Å; Y36-L332 WeakPolarHBondContact CA-O 3.2Å; Y36-L332 HydrophobicContact CD1-CB 4.34Å; Y36-L332 HydrophobicContact CD1-CD2 4.06Å; Y36-L332 HydrophobicContact CE1-CB 4.49Å; Y36-L332 HydrophobicContact CE1-CD2 3.77Å; G37-L332 PolarHBondContact N-O 2.84Å; L332-I334 HydrophobicContact CG-CD1 4.23Å; L332-I334 HydrophobicContact CG-CG1 4.29Å; L332-I334 WeakPolarHBondContact O-CD1 3.46Å; L332-K352 WeakPolarHBondContact CA-O 3.46Å; L332-K352 HydrophobicContact CD1-CB 3.88Å; L332-F354 HydrophobicContact CD1-CB 4.1Å; L332-F354 HydrophobicContact CG-CB 4.45Å |
| 333 | Y | 98.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 127.8 | 175.8 | -166.4 | -113.4 | 0 | 0 | 0 | 111.2 | G37 F233 A235 K277 F281 D341 W351 K352 T353 F354 | G37-Y333 CarbonylContact O-C 3.51Å; G37-Y333 WeakPolarHBondContact O-CA 3.29Å; G37-Y333 WeakPolarHBondContact O-CD2 3.41Å; F233-Y333 HydrophobicContact CE2-CD2 4Å; F233-Y333 AromaticContact CE2-CE2 3.85Å; F233-Y333 HydrophobicContact CE2-CE2 3.85Å; F233-Y333 AromaticContact CZ-CD2 3.84Å; F233-Y333 HydrophobicContact CZ-CD2 3.84Å; F233-Y333 HydrophobicContact CZ-CE2 4.19Å; A235-Y333 HydrophobicContact CB-CE2 4.15Å; A235-Y333 PolarHBondContact O-OH 2.92Å; K277-Y333 PolarHBondContact NZ-OH 3.44Å; K277-Y333 VanDerWaalsContact NZ-OH 3.08Å; F281-Y333 HydrophobicContact CE2-CE1 4.48Å; F281-Y333 HydrophobicContact CZ-CD1 4.07Å; F281-Y333 AromaticContact CZ-CE1 3.69Å; F281-Y333 HydrophobicContact CZ-CE1 3.69Å; Y333-D341 HydrophobicContact CD1-CB 4.18Å; Y333-D341 HydrophobicContact CE1-CB 3.72Å; Y333-W351 HydrophobicContact CD1-CE3 4.49Å; Y333-W351 HydrophobicContact CD2-CE3 4.15Å; Y333-W351 AromaticContact CD2-CZ3 3.7Å; Y333-W351 HydrophobicContact CD2-CZ3 3.7Å; Y333-W351 HydrophobicContact CE2-CZ3 4.35Å; Y333-W351 AromaticContact CG-CE3 3.82Å; Y333-W351 HydrophobicContact CG-CE3 3.82Å; Y333-W351 AromaticContact CG-CZ3 3.83Å; Y333-W351 HydrophobicContact CG-CZ3 3.83Å; Y333-K352 PolarHBondContact N-O 3.47Å; Y333-T353 WeakPolarHBondContact O-CA 3.3Å; Y333-F354 PolarHBondContact O-N 3.06Å |
| 334 | I | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 119.4 | -174.4 | -56.5 | 112.8 | 0 | 0 | 0 | 108.4 | Y36 G37 F38 D39 T43 L332 F354 V356 C450 | Y36-I334 HydrophobicContact CD1-CD1 4.1Å; G37-I334 WeakPolarHBondContact O-CD1 3.48Å; G37-I334 PolarHBondContact O-N 3.35Å; F38-I334 HydrophobicContact CD1-CB 4Å; F38-I334 HydrophobicContact CD1-CD1 4.12Å; F38-I334 HydrophobicContact CD1-CG2 4.22Å; F38-I334 HydrophobicContact CD2-CD1 4.43Å; F38-I334 HydrophobicContact CE1-CB 4.22Å; F38-I334 HydrophobicContact CE1-CD1 3.77Å; F38-I334 HydrophobicContact CE1-CG1 4.35Å; F38-I334 HydrophobicContact CE1-CG2 4.31Å; F38-I334 HydrophobicContact CE2-CD1 4.09Å; F38-I334 HydrophobicContact CG-CD1 4.45Å; F38-I334 HydrophobicContact CZ-CD1 3.76Å; D39-I334 PolarHBondContact N-O 3.19Å; T43-I334 HydrophobicContact CG2-CG2 3.86Å; T43-I334 WeakPolarHBondContact CG2-O 3.28Å; L332-I334 HydrophobicContact CG-CD1 4.23Å; L332-I334 HydrophobicContact CG-CG1 4.29Å; L332-I334 WeakPolarHBondContact O-CD1 3.46Å; I334-F354 WeakPolarHBondContact CA-O 3.29Å; I334-F354 HydrophobicContact CB-CB 4.23Å; I334-F354 HydrophobicContact CG1-CB 3.64Å; I334-F354 HydrophobicContact CG1-CG 4.19Å; I334-F354 HydrophobicContact CG2-CB 4.23Å; I334-F354 HydrophobicContact CG2-CD1 3.88Å; I334-F354 HydrophobicContact CG2-CG 4.26Å; I334-V356 HydrophobicContact CG2-CG2 3.82Å; I334-C450 HydrophobicContact CG2-CB 3.69Å |
| 335 | G | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 167.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | T43 F354 L355 V356 | T43-G335 WeakPolarHBondContact OG1-CA 3.45Å; G335-F354 PolarHBondContact N-O 2.86Å; G335-F354 VanDerWaalsContact N-O 3.17Å; G335-L355 WeakPolarHBondContact O-CA 3.47Å; G335-V356 PolarHBondContact O-N 3.44Å |
| 336 | D | 97.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 25.4 Ų | 25.4 | 3% | 0.027 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -101.3 | -21.1 | 179.3 | 75.7 | -67.6 | 0 | 0 | 0 | 112.9 | T43 R85 I338 D341 L355 V356 | T43-D336 PolarHBondContact OG1-N 3.36Å; T43-D336 PolarHBondContact OG1-OD1 3.05Å; R85-D336 PolarHBondContact NH1-O 3.02Å; D336-I338 PolarHBondContact O-N 2.86Å; D336-I338 VanDerWaalsContact O-N 3.13Å; D336-D341 PolarHBondContact N-OD2 3.38Å; D336-L355 WeakPolarHBondContact O-CD1 3.48Å; D336-V356 WeakPolarHBondContact CA-O 3.4Å; D336-V356 HydrophobicContact CB-CB 4.44Å |
| 337 | H | 96.4 | Very high | 94.7 | Very high | 41 Ų | 41 | 31 Ų | 31 | 19% | 0.19 | 15% | 0.153 | C | C | . | . | trans | -82 | 100 | -176.4 | -168.3 | -3 | 0 | 0 | 0 | 111.1 | T142 F339 G340 D341 I342 | T142-H337 HydrophobicContact CG2-CB 4.35Å; H337-F339 PolarHBondContact ND1-N 3.27Å; H337-F339 PolarHBondContact O-N 3.2Å; H337-G340 PolarHBondContact ND1-N 2.99Å; H337-G340 PolarHBondContact O-N 3.12Å; H337-D341 HydrophobicContact CB-CB 4.41Å; H337-D341 VanDerWaalsContact CB-OD2 3.25Å; H337-D341 WeakPolarHBondContact CB-OD2 3.08Å; H337-D341 PolarHBondContact N-OD2 2.87Å; H337-D341 WeakPolarHBondContact O-CB 3.28Å; H337-D341 PolarHBondContact O-N 3.46Å; H337-I342 PolarHBondContact O-N 2.9Å | ||
| 338 | I | 94.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | I | π-helix | trans | -51.1 | -36.5 | -178.4 | -172.6 | 63.6 | 0 | 0 | 0 | 114 | N141 D336 I342 L343 L355 F435 Q438 L439 | N141-I338 HydrophobicContact CB-CG2 4.23Å; D336-I338 PolarHBondContact O-N 2.86Å; D336-I338 VanDerWaalsContact O-N 3.13Å; I338-I342 HydrophobicContact CD1-CB 4.44Å; I338-I342 HydrophobicContact CD1-CG2 4.38Å; I338-L343 VanDerWaalsContact O-CB 3.29Å; I338-L343 WeakPolarHBondContact O-CB 3.25Å; I338-L343 PolarHBondContact O-N 3.13Å; I338-L355 HydrophobicContact CB-CD1 4.42Å; I338-L355 HydrophobicContact CD1-CD1 4.31Å; I338-L355 HydrophobicContact CD1-CD2 3.79Å; I338-F435 HydrophobicContact CB-CE2 3.97Å; I338-F435 HydrophobicContact CG2-CD2 4.08Å; I338-F435 HydrophobicContact CG2-CE2 3.77Å; I338-Q438 HydrophobicContact CD1-CB 4.24Å; I338-Q438 HydrophobicContact CG1-CB 3.83Å; I338-L439 HydrophobicContact CD1-CB 4.47Å |
| 339 | F | 91.6 | Very high | 94.6 | Very high | 73 Ų | 73 | 35.1 Ų | 35.1 | 32% | 0.32 | 15% | 0.154 | S | C | . | . | I | π-helix | trans | -89.2 | -54.7 | 177.8 | -176.2 | -97.3 | 0 | 0 | 0 | 112.2 | P278 H337 L343 K344 | P278-F339 HydrophobicContact CB-CE1 4.43Å; P278-F339 HydrophobicContact CG-CE1 4.07Å; H337-F339 PolarHBondContact ND1-N 3.27Å; H337-F339 PolarHBondContact O-N 3.2Å; F339-L343 HydrophobicContact CD2-CD1 4.05Å; F339-L343 HydrophobicContact CD2-CD2 4.36Å; F339-L343 HydrophobicContact CE2-CD2 4.35Å; F339-K344 VanDerWaalsContact CE1-CE 3.49Å; F339-K344 HydrophobicContact CE1-CG 4.48Å; F339-K344 WeakPolarHBondContact O-CG 3.4Å; F339-K344 PolarHBondContact O-N 3.41Å |
| 340 | G | 89.7 | Confident | 94.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -63.9 | -45.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | F281 H337 | F281-G340 VanDerWaalsContact CD2-O 3.25Å; F281-G340 WeakPolarHBondContact CD2-O 3.27Å; F281-G340 WeakPolarHBondContact CE2-O 3.36Å; H337-G340 PolarHBondContact ND1-N 2.99Å; H337-G340 PolarHBondContact O-N 3.12Å |
| 341 | D | 94.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -95.9 | -50.1 | -174.7 | -60.6 | -34.8 | 0 | 0 | 0 | 111.8 | K277 Y333 D336 H337 S345 | K277-D341 VanDerWaalsContact CD-OD1 3.29Å; K277-D341 WeakPolarHBondContact CD-OD1 3.35Å; K277-D341 WeakPolarHBondContact CE-OD1 3.47Å; K277-D341 IonicContact NZ-OD1 3.25Å; K277-D341 PolarHBondContact NZ-OD1 3.28Å; Y333-D341 HydrophobicContact CD1-CB 4.18Å; Y333-D341 HydrophobicContact CE1-CB 3.72Å; D336-D341 PolarHBondContact N-OD2 3.38Å; H337-D341 HydrophobicContact CB-CB 4.41Å; H337-D341 VanDerWaalsContact CB-OD2 3.25Å; H337-D341 WeakPolarHBondContact CB-OD2 3.08Å; H337-D341 PolarHBondContact N-OD2 2.87Å; H337-D341 WeakPolarHBondContact O-CB 3.28Å; H337-D341 PolarHBondContact O-N 3.46Å; D341-S345 WeakPolarHBondContact O-CB 3.38Å; D341-S345 PolarHBondContact O-OG 3.4Å |
| 342 | I | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -88 | -59.3 | -165.8 | -55.7 | -55.4 | 0 | 0 | 0 | 111.7 | H337 I338 K344 S345 K346 T353 F354 L355 A443 | H337-I342 PolarHBondContact O-N 2.9Å; I338-I342 HydrophobicContact CD1-CB 4.44Å; I338-I342 HydrophobicContact CD1-CG2 4.38Å; I342-K344 VanDerWaalsContact C-N 3.34Å; I342-K344 PolarHBondContact O-N 3.4Å; I342-S345 PolarHBondContact O-OG 3.29Å; I342-K346 WeakPolarHBondContact O-CB 3.44Å; I342-K346 PolarHBondContact O-N 2.85Å; I342-T353 HydrophobicContact CG2-CG2 4.12Å; I342-F354 WeakPolarHBondContact CD1-O 3.3Å; I342-L355 HydrophobicContact CD1-CB 4.35Å; I342-L355 HydrophobicContact CD1-CD1 4.43Å; I342-L355 HydrophobicContact CG1-CB 4.12Å; I342-L355 HydrophobicContact CG1-CD1 3.61Å; I342-L355 HydrophobicContact CG1-CG 4.43Å; I342-A443 HydrophobicContact CG2-CB 4.03Å |
| 343 | L | 94.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 29.2 Ų | 29.2 | 7% | 0.073 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -60.3 | -44.2 | -176.5 | -176 | 159.7 | 0 | 0 | 0 | 111.6 | I338 F339 K347 Y442 | I338-L343 VanDerWaalsContact O-CB 3.29Å; I338-L343 WeakPolarHBondContact O-CB 3.25Å; I338-L343 PolarHBondContact O-N 3.13Å; F339-L343 HydrophobicContact CD2-CD1 4.05Å; F339-L343 HydrophobicContact CD2-CD2 4.36Å; F339-L343 HydrophobicContact CE2-CD2 4.35Å; L343-K347 HydrophobicContact CD2-CD 3.86Å; L343-K347 HydrophobicContact CD2-CG 4.31Å; L343-K347 HydrophobicContact CG-CD 4.43Å; L343-K347 WeakPolarHBondContact O-CB 3.4Å; L343-K347 WeakPolarHBondContact O-CG 3.35Å; L343-K347 PolarHBondContact O-N 3.33Å; L343-Y442 HydrophobicContact CB-CD2 4.12Å; L343-Y442 HydrophobicContact CB-CG 4.19Å; L343-Y442 HydrophobicContact CD1-CD2 3.73Å; L343-Y442 HydrophobicContact CD1-CE1 4.49Å; L343-Y442 HydrophobicContact CD1-CE2 3.35Å; L343-Y442 HydrophobicContact CD1-CG 4.43Å; L343-Y442 HydrophobicContact CG-CD1 4.25Å; L343-Y442 HydrophobicContact CG-CD2 3.9Å; L343-Y442 HydrophobicContact CG-CE1 4.21Å; L343-Y442 HydrophobicContact CG-CE2 3.85Å; L343-Y442 HydrophobicContact CG-CG 4.1Å |
| 344 | K | 92.9 | Very high | 94.6 | Very high | 43 Ų | 43 | 29.2 Ų | 29.2 | 19% | 0.187 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -73.5 | -44.8 | -174.7 | -69.6 | -78.8 | -177.5 | 175.5 | 0 | 112.4 | P278 F281 F339 I342 K346 K347 R348 | P278-K344 HydrophobicContact CB-CB 4.3Å; P278-K344 HydrophobicContact CB-CD 4.19Å; P278-K344 HydrophobicContact CB-CG 3.71Å; F281-K344 HydrophobicContact CB-CB 4.13Å; F281-K344 HydrophobicContact CD2-CB 3.96Å; F281-K344 HydrophobicContact CG-CB 4.31Å; F339-K344 VanDerWaalsContact CE1-CE 3.49Å; F339-K344 HydrophobicContact CE1-CG 4.48Å; F339-K344 WeakPolarHBondContact O-CG 3.4Å; F339-K344 PolarHBondContact O-N 3.41Å; I342-K344 VanDerWaalsContact C-N 3.34Å; I342-K344 PolarHBondContact O-N 3.4Å; K344-K346 VanDerWaalsContact C-N 3.31Å; K344-K346 PolarHBondContact O-N 2.93Å; K344-K347 PolarHBondContact O-N 3.33Å; K344-R348 WeakPolarHBondContact O-CB 3.34Å; K344-R348 PolarHBondContact O-N 2.92Å |
| 345 | S | 92.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -60.9 | -42.2 | 173.6 | 66.8 | 0 | 0 | 0 | 0 | 111.5 | D341 I342 Q349 G350 W351 | D341-S345 WeakPolarHBondContact O-CB 3.38Å; D341-S345 PolarHBondContact O-OG 3.4Å; I342-S345 PolarHBondContact O-OG 3.29Å; S345-Q349 CarbonylContact O-C 3.56Å; S345-Q349 WeakPolarHBondContact O-CA 3.28Å; S345-Q349 WeakPolarHBondContact O-CB 3.21Å; S345-Q349 PolarHBondContact O-N 2.74Å; S345-G350 PolarHBondContact O-N 3.47Å; S345-G350 VanDerWaalsContact O-N 3.11Å; S345-W351 PolarHBondContact O-N 3.13Å |
| 346 | K | 93.4 | Very high | 94.6 | Very high | 47 Ų | 47 | 29.2 Ų | 29.2 | 20% | 0.204 | 14% | 0.135 | C | C | . | . | I | π-helix | trans | -62.1 | -51 | 177.3 | -171.4 | 64.2 | 160.4 | -171.5 | 0 | 112.6 | I342 K344 G350 W351 T353 D444 | I342-K346 WeakPolarHBondContact O-CB 3.44Å; I342-K346 PolarHBondContact O-N 2.85Å; K344-K346 VanDerWaalsContact C-N 3.31Å; K344-K346 PolarHBondContact O-N 2.93Å; K346-G350 WeakPolarHBondContact O-CA 3.32Å; K346-G350 PolarHBondContact O-N 3.27Å; K346-W351 VanDerWaalsContact CD-O 3.3Å; K346-W351 WeakPolarHBondContact CD-O 3.44Å; K346-T353 HydrophobicContact CB-CG2 4.12Å; K346-T353 HydrophobicContact CD-CG2 4.31Å; K346-D444 IonicContact NZ-OD1 2.7Å; K346-D444 PolarHBondContact NZ-OD1 3.41Å; K346-D444 IonicContact NZ-OD2 2.9Å; K346-D444 PolarHBondContact NZ-OD2 2.97Å |
| 347 | K | 91.8 | Very high | 94.6 | Very high | 131 Ų | 131 | 29.1 Ų | 29.1 | 57% | 0.57 | 13% | 0.134 | S | C | * | . | I | π-helix | trans | -76.4 | -37.8 | -173.5 | -77.4 | -163.7 | -179.8 | -174.9 | 0 | 113.8 | L343 K344 Y442 | L343-K347 HydrophobicContact CD2-CD 3.86Å; L343-K347 HydrophobicContact CD2-CG 4.31Å; L343-K347 HydrophobicContact CG-CD 4.43Å; L343-K347 WeakPolarHBondContact O-CB 3.4Å; L343-K347 WeakPolarHBondContact O-CG 3.35Å; L343-K347 PolarHBondContact O-N 3.33Å; K344-K347 PolarHBondContact O-N 3.33Å; K347-Y442 HydrophobicContact CD-CE1 4.35Å; K347-Y442 VanDerWaalsContact CE-OH 3.23Å; K347-Y442 WeakPolarHBondContact CE-OH 3.33Å; K347-Y442 HydrophobicContact CG-CE1 4.29Å; K347-Y442 PolarHBondContact NZ-OH 3.11Å; K347-Y442 VanDerWaalsContact NZ-OH 3.1Å |
| 348 | R | 89.1 | Confident | 94.7 | Very high | 134 Ų | 134 | 28.4 Ų | 28.4 | 51% | 0.506 | 13% | 0.134 | S | C | . | . | I | π-helix | trans | -90.5 | -37 | -174.7 | -65.2 | -164.8 | 170.4 | -143.4 | 3.6 | 112.3 | F281 K344 | F281-R348 WeakPolarHBondContact O-CB 3.4Å; F281-R348 WeakPolarHBondContact O-CD 3.47Å; K344-R348 WeakPolarHBondContact O-CB 3.34Å; K344-R348 PolarHBondContact O-N 2.92Å |
| 349 | Q | 89.7 | Confident | 94.7 | Very high | 46 Ų | 46 | 30.3 Ų | 30.3 | 22% | 0.215 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -115.2 | -9 | -171.1 | -59.5 | -62.3 | -16.6 | 0 | 0 | 113.9 | F281 S317 D318 S345 W351 | F281-Q349 HydrophobicContact CD1-CG 4.45Å; S317-Q349 VanDerWaalsContact OG-CD 3.28Å; S317-Q349 WeakPolarHBondContact OG-CG 3.49Å; S317-Q349 PolarHBondContact OG-NE2 3.43Å; D318-Q349 PolarHBondContact OD1-NE2 3.43Å; D318-Q349 PolarHBondContact OD1-OE1 3.03Å; S345-Q349 CarbonylContact O-C 3.56Å; S345-Q349 WeakPolarHBondContact O-CA 3.28Å; S345-Q349 WeakPolarHBondContact O-CB 3.21Å; S345-Q349 PolarHBondContact O-N 2.74Å; Q349-W351 VanDerWaalsContact CB-CD1 3.41Å; Q349-W351 HydrophobicContact CB-CD2 4.34Å; Q349-W351 HydrophobicContact CB-CG 3.98Å; Q349-W351 PolarHBondContact O-N 3.25Å |
| 350 | G | 92.9 | Very high | 95 | Very high | 33 Ų | 33 | 27.1 Ų | 27.1 | 34% | 0.34 | 13% | 0.129 | S | C | . | . | trans | 67.4 | 19.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S345 K346 | S345-G350 PolarHBondContact O-N 3.47Å; S345-G350 VanDerWaalsContact O-N 3.11Å; K346-G350 WeakPolarHBondContact O-CA 3.32Å; K346-G350 PolarHBondContact O-N 3.27Å | ||
| 351 | W | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | -62.2 | 150.3 | 179.7 | -70 | 8.8 | 0 | 0 | 0 | 111.5 | F233 F281 G328 I331 Y333 S345 K346 Q349 | F233-W351 HydrophobicContact CE2-CH2 4.24Å; F233-W351 HydrophobicContact CE2-CZ3 4.32Å; F233-W351 AromaticContact CZ-CH2 3.66Å; F233-W351 HydrophobicContact CZ-CH2 3.66Å; F233-W351 AromaticContact CZ-CZ3 3.7Å; F233-W351 HydrophobicContact CZ-CZ3 3.7Å; F281-W351 AromaticContact CE1-CE3 3.91Å; F281-W351 HydrophobicContact CE1-CE3 3.91Å; F281-W351 HydrophobicContact CE1-CH2 4.15Å; F281-W351 AromaticContact CE1-CZ3 3.62Å; F281-W351 HydrophobicContact CE1-CZ3 3.62Å; F281-W351 HydrophobicContact CZ-CZ3 4.42Å; G328-W351 WeakPolarHBondContact O-CA 3.35Å; I331-W351 HydrophobicContact CB-CD2 4.25Å; I331-W351 HydrophobicContact CB-CG 4.29Å; I331-W351 HydrophobicContact CD1-CD2 4.27Å; I331-W351 HydrophobicContact CD1-CH2 4.4Å; I331-W351 HydrophobicContact CD1-CZ2 3.61Å; I331-W351 HydrophobicContact CG2-CD2 3.91Å; I331-W351 HydrophobicContact CG2-CE3 3.94Å; I331-W351 HydrophobicContact CG2-CG 4.37Å; I331-W351 HydrophobicContact CG2-CH2 4.46Å; I331-W351 HydrophobicContact CG2-CZ2 4.49Å; I331-W351 HydrophobicContact CG2-CZ3 4.19Å; Y333-W351 HydrophobicContact CD1-CE3 4.49Å; Y333-W351 HydrophobicContact CD2-CE3 4.15Å; Y333-W351 AromaticContact CD2-CZ3 3.7Å; Y333-W351 HydrophobicContact CD2-CZ3 3.7Å; Y333-W351 HydrophobicContact CE2-CZ3 4.35Å; Y333-W351 AromaticContact CG-CE3 3.82Å; Y333-W351 HydrophobicContact CG-CE3 3.82Å; Y333-W351 AromaticContact CG-CZ3 3.83Å; Y333-W351 HydrophobicContact CG-CZ3 3.83Å; S345-W351 PolarHBondContact O-N 3.13Å; K346-W351 VanDerWaalsContact CD-O 3.3Å; K346-W351 WeakPolarHBondContact CD-O 3.44Å; Q349-W351 VanDerWaalsContact CB-CD1 3.41Å; Q349-W351 HydrophobicContact CB-CD2 4.34Å; Q349-W351 HydrophobicContact CB-CG 3.98Å; Q349-W351 PolarHBondContact O-N 3.25Å | ||
| 352 | K | 98.1 | Very high | 95.1 | Very high | 46 Ų | 46 | 35.1 Ų | 35.1 | 20% | 0.2 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 145.9 | 163.3 | -60.8 | -62.7 | -169.3 | 164.2 | 0 | 108.4 | L28 I33 I331 L332 Y333 D444 | L28-K352 HydrophobicContact CD1-CB 3.76Å; L28-K352 HydrophobicContact CD1-CD 4.06Å; L28-K352 HydrophobicContact CD1-CG 4Å; I33-K352 HydrophobicContact CD1-CB 4.25Å; I33-K352 HydrophobicContact CD1-CG 3.99Å; I331-K352 WeakPolarHBondContact O-CA 3.5Å; I331-K352 VanDerWaalsContact O-CB 3.3Å; I331-K352 WeakPolarHBondContact O-CB 3.29Å; I331-K352 PolarHBondContact O-N 3.08Å; L332-K352 WeakPolarHBondContact CA-O 3.46Å; L332-K352 HydrophobicContact CD1-CB 3.88Å; Y333-K352 PolarHBondContact N-O 3.47Å; K352-D444 WeakPolarHBondContact CA-OD2 3.43Å; K352-D444 WeakPolarHBondContact CD-OD2 3.45Å |
| 353 | T | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 135.1 | -168.2 | 58.6 | 0 | 0 | 0 | 0 | 112.1 | Y333 I342 K346 Y442 A443 D444 L445 | Y333-T353 WeakPolarHBondContact O-CA 3.3Å; I342-T353 HydrophobicContact CG2-CG2 4.12Å; K346-T353 HydrophobicContact CB-CG2 4.12Å; K346-T353 HydrophobicContact CD-CG2 4.31Å; T353-Y442 PolarHBondContact OG1-O 3.15Å; T353-A443 WeakPolarHBondContact OG1-CA 3.36Å; T353-D444 PolarHBondContact N-OD2 2.79Å; T353-D444 WeakPolarHBondContact O-CB 3.46Å; T353-D444 PolarHBondContact O-N 3.09Å; T353-D444 PolarHBondContact OG1-N 3.18Å; T353-L445 PolarHBondContact O-N 3.38Å |
| 354 | F | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 117.2 | 169.2 | -171.5 | -66.3 | 0 | 0 | 0 | 108.6 | V22 L332 Y333 I334 G335 I342 V356 L445 L453 | V22-F354 HydrophobicContact CB-CE2 4.44Å; V22-F354 HydrophobicContact CG1-CD2 4.42Å; V22-F354 HydrophobicContact CG1-CE2 3.67Å; V22-F354 HydrophobicContact CG1-CZ 4.35Å; V22-F354 HydrophobicContact CG2-CE2 3.89Å; V22-F354 HydrophobicContact CG2-CZ 4.16Å; L332-F354 HydrophobicContact CD1-CB 4.1Å; L332-F354 HydrophobicContact CG-CB 4.45Å; Y333-F354 PolarHBondContact O-N 3.06Å; I334-F354 WeakPolarHBondContact CA-O 3.29Å; I334-F354 HydrophobicContact CB-CB 4.23Å; I334-F354 HydrophobicContact CG1-CB 3.64Å; I334-F354 HydrophobicContact CG1-CG 4.19Å; I334-F354 HydrophobicContact CG2-CB 4.23Å; I334-F354 HydrophobicContact CG2-CD1 3.88Å; I334-F354 HydrophobicContact CG2-CG 4.26Å; G335-F354 PolarHBondContact N-O 2.86Å; G335-F354 VanDerWaalsContact N-O 3.17Å; I342-F354 WeakPolarHBondContact CD1-O 3.3Å; F354-V356 HydrophobicContact CD1-CG2 4.15Å; F354-V356 HydrophobicContact CE1-CG2 4.1Å; F354-L445 CarbonylContact C-O 3.54Å; F354-L445 WeakPolarHBondContact CA-O 3.44Å; F354-L445 HydrophobicContact CB-CB 4.44Å; F354-L445 HydrophobicContact CD2-CB 3.71Å; F354-L445 HydrophobicContact CD2-CD1 4.09Å; F354-L445 HydrophobicContact CE2-CB 4.31Å; F354-L445 HydrophobicContact CG-CB 4.23Å; F354-L453 HydrophobicContact CD2-CD1 4.18Å; F354-L453 HydrophobicContact CD2-CD2 4.1Å; F354-L453 HydrophobicContact CD2-CG 4.25Å; F354-L453 HydrophobicContact CE2-CD1 4.09Å; F354-L453 HydrophobicContact CE2-CD2 3.73Å; F354-L453 HydrophobicContact CE2-CG 3.73Å; F354-L453 HydrophobicContact CZ-CG 4.41Å |
| 355 | L | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 123.8 | 175.4 | -180 | 72.4 | 0 | 0 | 0 | 110.8 | G335 D336 I338 I342 V357 F435 L439 A443 L445 Y446 S447 | G335-L355 WeakPolarHBondContact O-CA 3.47Å; D336-L355 WeakPolarHBondContact O-CD1 3.48Å; I338-L355 HydrophobicContact CB-CD1 4.42Å; I338-L355 HydrophobicContact CD1-CD1 4.31Å; I338-L355 HydrophobicContact CD1-CD2 3.79Å; I342-L355 HydrophobicContact CD1-CB 4.35Å; I342-L355 HydrophobicContact CD1-CD1 4.43Å; I342-L355 HydrophobicContact CG1-CB 4.12Å; I342-L355 HydrophobicContact CG1-CD1 3.61Å; I342-L355 HydrophobicContact CG1-CG 4.43Å; L355-V357 HydrophobicContact CD2-CG2 3.48Å; L355-V357 VanDerWaalsContact CD2-CG2 3.48Å; L355-V357 HydrophobicContact CG-CG2 3.62Å; L355-F435 HydrophobicContact CD2-CZ 4.38Å; L355-L439 HydrophobicContact CD2-CB 4.2Å; L355-L439 HydrophobicContact CD2-CD1 3.74Å; L355-L439 HydrophobicContact CD2-CG 3.72Å; L355-A443 HydrophobicContact CB-CB 3.63Å; L355-A443 HydrophobicContact CD2-CB 4.34Å; L355-L445 PolarHBondContact N-O 2.89Å; L355-Y446 WeakPolarHBondContact O-CA 3.42Å; L355-Y446 WeakPolarHBondContact O-CB 3.2Å; L355-S447 PolarHBondContact O-N 3.45Å; L355-S447 VanDerWaalsContact O-N 3.09Å |
| 356 | V | 98.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 124.8 | 167.9 | -177.5 | 0 | 0 | 0 | 0 | 108.7 | T43 M46 I334 G335 D336 F354 P358 C450 | T43-V356 HydrophobicContact CG2-CG2 4.02Å; M46-V356 HydrophobicContact CE-CG1 3.99Å; I334-V356 HydrophobicContact CG2-CG2 3.82Å; G335-V356 PolarHBondContact O-N 3.44Å; D336-V356 WeakPolarHBondContact CA-O 3.4Å; D336-V356 HydrophobicContact CB-CB 4.44Å; F354-V356 HydrophobicContact CD1-CG2 4.15Å; F354-V356 HydrophobicContact CE1-CG2 4.1Å; V356-P358 HydrophobicContact CG1-CG 4.22Å; V356-C450 HydrophobicContact CG2-CB 4.12Å |
| 357 | V | 98.1 | Very high | 95.3 | Very high | 2 Ų | 2 | 42 Ų | 42 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | trans | -126.7 | 83.6 | -179.7 | -172.9 | 0 | 0 | 0 | 0 | 108.6 | L355 E359 L360 L425 F435 L439 S447 S448 | L355-V357 HydrophobicContact CD2-CG2 3.48Å; L355-V357 VanDerWaalsContact CD2-CG2 3.48Å; L355-V357 HydrophobicContact CG-CG2 3.62Å; V357-E359 PolarHBondContact O-N 3.35Å; V357-E359 VanDerWaalsContact O-N 3.12Å; V357-L360 HydrophobicContact CB-CB 4.21Å; V357-L360 HydrophobicContact CG1-CB 4.21Å; V357-L360 WeakPolarHBondContact O-CB 3.41Å; V357-L360 PolarHBondContact O-N 2.65Å; V357-L425 HydrophobicContact CG1-CD2 3.72Å; V357-F435 HydrophobicContact CG1-CE1 4.5Å; V357-L439 HydrophobicContact CG2-CD1 3.97Å; V357-S447 PolarHBondContact N-O 3.42Å; V357-S448 WeakPolarHBondContact O-CA 3.33Å | ||
| 358 | P | 96.8 | Very high | 95.4 | Very high | 27 Ų | 27 | 40.7 Ų | 40.7 | 18% | 0.175 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -33.3 | -171.5 | -28.8 | 39.3 | 0 | 0 | 0 | 114 | M46 L143 V356 L360 | M46-P358 HydrophobicContact CE-CB 4.04Å; M46-P358 HydrophobicContact CE-CG 3.52Å; M46-P358 HydrophobicContact SD-CB 3.62Å; M46-P358 HydrophobicContact SD-CG 3.4Å; M46-P358 WeakPolarHBondContact SD-CG 3.38Å; L143-P358 HydrophobicContact CD1-CB 4.07Å; L143-P358 HydrophobicContact CD1-CG 3.63Å; V356-P358 HydrophobicContact CG1-CG 4.22Å; P358-L360 PolarHBondContact O-N 3.14Å; P358-L360 VanDerWaalsContact O-N 3.14Å |
| 359 | E | 96.8 | Very high | 95.6 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 18% | 0.182 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -17.3 | 178.9 | -50.8 | 99.8 | 127.1 | 0 | 0 | 113 | R85 L143 V357 T361 K362 E363 L425 | R85-E359 WeakPolarHBondContact CB-OE1 3.44Å; R85-E359 IonicContact CZ-OE1 2.91Å; R85-E359 IonicContact CZ-OE2 2.73Å; R85-E359 IonicContact NE-OE1 3.83Å; R85-E359 PolarHBondContact NE-OE1 2.57Å; R85-E359 IonicContact NE-OE2 3.65Å; R85-E359 IonicContact NH2-OE1 2.99Å; R85-E359 PolarHBondContact NH2-OE1 3.16Å; R85-E359 IonicContact NH2-OE2 3.77Å; R85-E359 PolarHBondContact NH2-OE2 2.9Å; L143-E359 HydrophobicContact CD2-CG 4.21Å; L143-E359 WeakPolarHBondContact CD2-OE1 3.26Å; V357-E359 PolarHBondContact O-N 3.35Å; V357-E359 VanDerWaalsContact O-N 3.12Å; E359-T361 PolarHBondContact O-N 2.95Å; E359-K362 PolarHBondContact O-N 3.31Å; E359-K362 VanDerWaalsContact O-N 3.12Å; E359-E363 WeakPolarHBondContact O-CG 3.36Å; E359-E363 PolarHBondContact O-N 3.39Å; E359-L425 HydrophobicContact CB-CD2 4.45Å |
| 360 | L | 96.7 | Very high | 95.8 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -29.7 | -175.1 | -170 | 64.1 | 0 | 0 | 0 | 112.6 | F23 V357 P358 E363 L364 L426 Y446 | F23-L360 HydrophobicContact CD2-CD2 3.89Å; F23-L360 HydrophobicContact CE2-CD2 3.71Å; V357-L360 HydrophobicContact CB-CB 4.21Å; V357-L360 HydrophobicContact CG1-CB 4.21Å; V357-L360 WeakPolarHBondContact O-CB 3.41Å; V357-L360 PolarHBondContact O-N 2.65Å; P358-L360 PolarHBondContact O-N 3.14Å; P358-L360 VanDerWaalsContact O-N 3.14Å; L360-E363 HydrophobicContact CD1-CB 4.43Å; L360-E363 PolarHBondContact O-N 3.33Å; L360-L364 HydrophobicContact CD1-CD1 4.26Å; L360-L364 HydrophobicContact CD1-CD2 4.44Å; L360-L364 HydrophobicContact CD1-CG 3.99Å; L360-L364 HydrophobicContact CD2-CD1 4.3Å; L360-L364 HydrophobicContact CG-CD1 3.76Å; L360-L364 HydrophobicContact CG-CG 4Å; L360-L364 VanDerWaalsContact O-CB 3.31Å; L360-L364 WeakPolarHBondContact O-CB 3.2Å; L360-L364 WeakPolarHBondContact O-CG 3.44Å; L360-L364 PolarHBondContact O-N 3.35Å; L360-L426 HydrophobicContact CD1-CD1 4.33Å; L360-Y446 HydrophobicContact CD2-CD2 3.89Å; L360-Y446 HydrophobicContact CD2-CE2 3.84Å |
| 361 | T | 93.1 | Very high | 95.7 | Very high | 54 Ų | 54 | 46.9 Ų | 46.9 | 33% | 0.331 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.6 | -51.2 | 175 | -57.1 | 0 | 0 | 0 | 0 | 111 | E359 Q365 S448 | E359-T361 PolarHBondContact O-N 2.95Å; T361-Q365 PolarHBondContact O-N 3.3Å; T361-S448 VanDerWaalsContact OG1-CB 3.27Å; T361-S448 WeakPolarHBondContact OG1-CB 3.14Å |
| 362 | K | 93.8 | Very high | 95.7 | Very high | 115 Ų | 115 | 53.1 Ų | 53.1 | 50% | 0.5 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.8 | -42.2 | 176.8 | -177.1 | -175 | 173 | -165 | 0 | 111.3 | E359 L364 Q365 V366 Y419 | E359-K362 PolarHBondContact O-N 3.31Å; E359-K362 VanDerWaalsContact O-N 3.12Å; K362-L364 VanDerWaalsContact C-N 3.33Å; K362-L364 PolarHBondContact O-N 2.86Å; K362-Q365 PolarHBondContact O-N 2.88Å; K362-V366 HydrophobicContact CG-CG2 4.37Å; K362-V366 WeakPolarHBondContact O-CG2 3.22Å; K362-V366 PolarHBondContact O-N 2.62Å; K362-Y419 PolarHBondContact NZ-O 3.29Å |
| 363 | E | 95.7 | Very high | 95.5 | Very high | 21 Ų | 21 | 51.9 Ų | 51.9 | 10% | 0.098 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58 | -44.6 | 178.7 | -72.8 | -86.7 | 166.1 | 0 | 0 | 111.9 | E359 L360 V366 W367 Y419 S424 L425 | E359-E363 WeakPolarHBondContact O-CG 3.36Å; E359-E363 PolarHBondContact O-N 3.39Å; L360-E363 HydrophobicContact CD1-CB 4.43Å; L360-E363 PolarHBondContact O-N 3.33Å; E363-V366 PolarHBondContact O-N 3.15Å; E363-W367 WeakPolarHBondContact O-CB 3.4Å; E363-W367 PolarHBondContact O-N 3.5Å; E363-Y419 HydrophobicContact CB-CE1 4.45Å; E363-Y419 WeakPolarHBondContact OE2-CD1 3.18Å; E363-Y419 WeakPolarHBondContact OE2-CE1 3.35Å; E363-S424 WeakPolarHBondContact OE1-CA 3.38Å; E363-S424 PolarHBondContact OE1-OG 3.04Å; E363-S424 WeakPolarHBondContact OE2-CB 3.22Å; E363-S424 PolarHBondContact OE2-OG 3.26Å; E363-L425 WeakPolarHBondContact OE1-CB 3.27Å; E363-L425 PolarHBondContact OE1-N 3.47Å |
| 364 | L | 94.5 | Very high | 95.3 | Very high | 39 Ų | 39 | 53.8 Ų | 53.8 | 20% | 0.204 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.8 | -39.5 | 179.4 | -72.7 | 169.2 | 0 | 0 | 0 | 112 | F18 F23 L360 K362 W367 E368 | F18-L364 HydrophobicContact CB-CD1 4.28Å; F23-L364 HydrophobicContact CE2-CD1 3.97Å; F23-L364 HydrophobicContact CZ-CD1 3.81Å; F23-L364 HydrophobicContact CZ-CD2 4.23Å; L360-L364 HydrophobicContact CD1-CD1 4.26Å; L360-L364 HydrophobicContact CD1-CD2 4.44Å; L360-L364 HydrophobicContact CD1-CG 3.99Å; L360-L364 HydrophobicContact CD2-CD1 4.3Å; L360-L364 HydrophobicContact CG-CD1 3.76Å; L360-L364 HydrophobicContact CG-CG 4Å; L360-L364 VanDerWaalsContact O-CB 3.31Å; L360-L364 WeakPolarHBondContact O-CB 3.2Å; L360-L364 WeakPolarHBondContact O-CG 3.44Å; L360-L364 PolarHBondContact O-N 3.35Å; K362-L364 VanDerWaalsContact C-N 3.33Å; K362-L364 PolarHBondContact O-N 2.86Å; L364-W367 PolarHBondContact O-N 2.98Å; L364-E368 PolarHBondContact O-N 2.82Å |
| 365 | Q | 94 | Very high | 95.1 | Very high | 111 Ų | 111 | 56.3 Ų | 56.3 | 52% | 0.519 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.6 | -52.3 | 174.3 | -176 | -172.2 | -12.9 | 0 | 0 | 111 | T361 K362 W367 E368 E369 | T361-Q365 PolarHBondContact O-N 3.3Å; K362-Q365 PolarHBondContact O-N 2.88Å; Q365-W367 VanDerWaalsContact C-N 3.29Å; Q365-W367 PolarHBondContact O-N 2.74Å; Q365-E368 PolarHBondContact O-N 2.81Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.07Å; Q365-E369 PolarHBondContact NE2-OE1 2.74Å; Q365-E369 WeakPolarHBondContact O-CG 3.32Å; Q365-E369 PolarHBondContact O-N 3.04Å |
| 366 | V | 94.8 | Very high | 94.9 | Very high | 12 Ų | 12 | 59.4 Ų | 59.4 | 7% | 0.073 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 179.5 | 177 | 0 | 0 | 0 | 0 | 111.1 | K362 E363 E368 E369 R370 Y419 | K362-V366 HydrophobicContact CG-CG2 4.37Å; K362-V366 WeakPolarHBondContact O-CG2 3.22Å; K362-V366 PolarHBondContact O-N 2.62Å; E363-V366 PolarHBondContact O-N 3.15Å; V366-E368 PolarHBondContact O-N 2.58Å; V366-E369 PolarHBondContact O-N 2.88Å; V366-R370 HydrophobicContact CG1-CG 4.11Å; V366-R370 VanDerWaalsContact O-CB 3.27Å; V366-R370 WeakPolarHBondContact O-CB 3.37Å; V366-R370 WeakPolarHBondContact O-CG 3.33Å; V366-R370 PolarHBondContact O-N 2.65Å; V366-Y419 HydrophobicContact CB-CD1 4.03Å; V366-Y419 HydrophobicContact CB-CE1 3.73Å; V366-Y419 HydrophobicContact CG1-CD1 3.89Å; V366-Y419 HydrophobicContact CG1-CD2 3.95Å; V366-Y419 HydrophobicContact CG1-CE1 3.67Å; V366-Y419 HydrophobicContact CG1-CE2 3.72Å; V366-Y419 HydrophobicContact CG1-CG 4.02Å |
| 367 | W | 94.3 | Very high | 94.7 | Very high | 66 Ų | 66 | 59.4 Ų | 59.4 | 25% | 0.25 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 175.9 | 177.6 | -93.9 | 0 | 0 | 0 | 111.8 | E363 L364 Q365 R370 R371 F374 | E363-W367 WeakPolarHBondContact O-CB 3.4Å; E363-W367 PolarHBondContact O-N 3.5Å; L364-W367 PolarHBondContact O-N 2.98Å; Q365-W367 VanDerWaalsContact C-N 3.29Å; Q365-W367 PolarHBondContact O-N 2.74Å; W367-R370 PolarHBondContact O-N 2.58Å; W367-R371 WeakPolarHBondContact O-CA 3.37Å; W367-R371 WeakPolarHBondContact O-CB 3.34Å; W367-R371 PolarHBondContact O-N 3.43Å; W367-F374 HydrophobicContact CH2-CB 4.16Å; W367-F374 AromaticContact CH2-CD1 3.5Å; W367-F374 HydrophobicContact CH2-CD1 3.5Å; W367-F374 AromaticContact CH2-CD2 3.71Å; W367-F374 HydrophobicContact CH2-CD2 3.71Å; W367-F374 AromaticContact CH2-CE1 3.75Å; W367-F374 HydrophobicContact CH2-CE1 3.75Å; W367-F374 AromaticContact CH2-CE2 3.95Å; W367-F374 HydrophobicContact CH2-CE2 3.95Å; W367-F374 AromaticContact CH2-CG 3.48Å; W367-F374 HydrophobicContact CH2-CG 3.48Å; W367-F374 VanDerWaalsContact CH2-CG 3.48Å; W367-F374 AromaticContact CH2-CZ 3.97Å; W367-F374 HydrophobicContact CH2-CZ 3.97Å; W367-F374 HydrophobicContact CZ2-CD1 4.04Å; W367-F374 HydrophobicContact CZ2-CE1 4.35Å; W367-F374 HydrophobicContact CZ2-CG 4.33Å; W367-F374 HydrophobicContact CZ3-CB 4.35Å; W367-F374 HydrophobicContact CZ3-CD1 4.4Å; W367-F374 AromaticContact CZ3-CD2 3.88Å; W367-F374 HydrophobicContact CZ3-CD2 3.88Å; W367-F374 HydrophobicContact CZ3-CE2 4.31Å; W367-F374 AromaticContact CZ3-CG 3.93Å; W367-F374 HydrophobicContact CZ3-CG 3.93Å |
| 368 | E | 93.1 | Very high | 94.4 | Very high | 102 Ų | 102 | 65.3 Ų | 65.3 | 48% | 0.477 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.8 | -45 | 178.9 | -167.6 | 60.9 | -158 | 0 | 0 | 111.4 | L364 Q365 V366 R370 | L364-E368 PolarHBondContact O-N 2.82Å; Q365-E368 PolarHBondContact O-N 2.81Å; V366-E368 PolarHBondContact O-N 2.58Å; E368-R370 VanDerWaalsContact C-N 3.28Å; E368-R370 PolarHBondContact O-N 3.35Å |
| 369 | E | 93.6 | Very high | 94.2 | Very high | 110 Ų | 110 | 70 Ų | 70 | 51% | 0.514 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.5 | -31.4 | 178.6 | -71.2 | 176.1 | -167.5 | 0 | 0 | 113.3 | Q365 V366 | Q365-E369 WeakPolarHBondContact CG-OE1 3.07Å; Q365-E369 PolarHBondContact NE2-OE1 2.74Å; Q365-E369 WeakPolarHBondContact O-CG 3.32Å; Q365-E369 PolarHBondContact O-N 3.04Å; V366-E369 PolarHBondContact O-N 2.88Å |
| 370 | R | 93.5 | Very high | 93.9 | Very high | 116 Ų | 116 | 69.6 Ų | 69.6 | 44% | 0.438 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -113.1 | 10.3 | -173.3 | -56.6 | -59.7 | -176 | -170.7 | -2.4 | 113.9 | V366 W367 E368 N372 L373 | V366-R370 HydrophobicContact CG1-CG 4.11Å; V366-R370 VanDerWaalsContact O-CB 3.27Å; V366-R370 WeakPolarHBondContact O-CB 3.37Å; V366-R370 WeakPolarHBondContact O-CG 3.33Å; V366-R370 PolarHBondContact O-N 2.65Å; W367-R370 PolarHBondContact O-N 2.58Å; E368-R370 VanDerWaalsContact C-N 3.28Å; E368-R370 PolarHBondContact O-N 3.35Å; R370-N372 PolarHBondContact O-N 3.49Å; R370-N372 VanDerWaalsContact O-N 3.09Å; R370-L373 HydrophobicContact CB-CD1 4.33Å; R370-L373 WeakPolarHBondContact O-CB 3.12Å; R370-L373 PolarHBondContact O-N 2.94Å |
| 371 | R | 92.8 | Very high | 93.5 | Very high | 117 Ų | 117 | 72.9 Ų | 72.9 | 44% | 0.442 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -51.3 | -38.1 | -177.9 | -174.2 | 177.6 | 174.9 | 179.4 | -2.5 | 113.3 | W367 L373 F374 E375 | W367-R371 WeakPolarHBondContact O-CA 3.37Å; W367-R371 WeakPolarHBondContact O-CB 3.34Å; W367-R371 PolarHBondContact O-N 3.43Å; R371-L373 VanDerWaalsContact C-N 3.25Å; R371-L373 PolarHBondContact O-N 2.98Å; R371-F374 WeakPolarHBondContact O-CA 3.38Å; R371-F374 WeakPolarHBondContact O-CB 3.44Å; R371-F374 PolarHBondContact O-N 3.42Å; R371-E375 HydrophobicContact CG-CG 4.28Å; R371-E375 IonicContact CZ-OE1 3.77Å; R371-E375 IonicContact NE-OE1 2.63Å; R371-E375 PolarHBondContact NE-OE1 3.22Å; R371-E375 IonicContact NH2-OE1 3.14Å; R371-E375 PolarHBondContact O-N 3.12Å |
| 372 | N | 95.4 | Very high | 93.3 | Very high | 131 Ų | 131 | 76 Ų | 76 | 70% | 0.701 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.4 | -35.1 | 179.4 | -63 | -19.9 | 0 | 0 | 0 | 113 | R370 F374 E376 | R370-N372 PolarHBondContact O-N 3.49Å; R370-N372 VanDerWaalsContact O-N 3.09Å; N372-F374 VanDerWaalsContact C-N 3.32Å; N372-E376 WeakPolarHBondContact O-CB 3.48Å; N372-E376 PolarHBondContact O-N 3.08Å |
| 373 | L | 94.2 | Very high | 93 | Very high | 21 Ų | 21 | 75.7 Ų | 75.7 | 11% | 0.11 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.8 | -37.1 | 176.1 | -62 | 178.6 | 0 | 0 | 0 | 111.2 | R370 R371 L377 L411 M415 | R370-L373 HydrophobicContact CB-CD1 4.33Å; R370-L373 WeakPolarHBondContact O-CB 3.12Å; R370-L373 PolarHBondContact O-N 2.94Å; R371-L373 VanDerWaalsContact C-N 3.25Å; R371-L373 PolarHBondContact O-N 2.98Å; L373-L377 WeakPolarHBondContact O-CG 3.31Å; L373-L377 PolarHBondContact O-N 3.31Å; L373-L411 HydrophobicContact CD2-CD2 4.08Å; L373-M415 HydrophobicContact CB-CB 4.48Å; L373-M415 HydrophobicContact CD1-CB 4.36Å |
| 374 | F | 94.2 | Very high | 92.7 | Very high | 39 Ų | 39 | 76.3 Ų | 76.3 | 17% | 0.171 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -70.6 | -41.7 | 177.3 | -174.8 | -95.9 | 0 | 0 | 0 | 112.1 | W367 R371 N372 E376 L377 K378 M415 | W367-F374 HydrophobicContact CH2-CB 4.16Å; W367-F374 AromaticContact CH2-CD1 3.5Å; W367-F374 HydrophobicContact CH2-CD1 3.5Å; W367-F374 AromaticContact CH2-CD2 3.71Å; W367-F374 HydrophobicContact CH2-CD2 3.71Å; W367-F374 AromaticContact CH2-CE1 3.75Å; W367-F374 HydrophobicContact CH2-CE1 3.75Å; W367-F374 AromaticContact CH2-CE2 3.95Å; W367-F374 HydrophobicContact CH2-CE2 3.95Å; W367-F374 AromaticContact CH2-CG 3.48Å; W367-F374 HydrophobicContact CH2-CG 3.48Å; W367-F374 VanDerWaalsContact CH2-CG 3.48Å; W367-F374 AromaticContact CH2-CZ 3.97Å; W367-F374 HydrophobicContact CH2-CZ 3.97Å; W367-F374 HydrophobicContact CZ2-CD1 4.04Å; W367-F374 HydrophobicContact CZ2-CE1 4.35Å; W367-F374 HydrophobicContact CZ2-CG 4.33Å; W367-F374 HydrophobicContact CZ3-CB 4.35Å; W367-F374 HydrophobicContact CZ3-CD1 4.4Å; W367-F374 AromaticContact CZ3-CD2 3.88Å; W367-F374 HydrophobicContact CZ3-CD2 3.88Å; W367-F374 HydrophobicContact CZ3-CE2 4.31Å; W367-F374 AromaticContact CZ3-CG 3.93Å; W367-F374 HydrophobicContact CZ3-CG 3.93Å; R371-F374 WeakPolarHBondContact O-CA 3.38Å; R371-F374 WeakPolarHBondContact O-CB 3.44Å; R371-F374 PolarHBondContact O-N 3.42Å; N372-F374 VanDerWaalsContact C-N 3.32Å; F374-E376 VanDerWaalsContact C-N 3.32Å; F374-E376 PolarHBondContact O-N 2.97Å; F374-L377 WeakPolarHBondContact O-CB 3.19Å; F374-L377 PolarHBondContact O-N 2.85Å; F374-K378 PolarHBondContact O-N 3.35Å; F374-M415 HydrophobicContact CB-SD 4.02Å; F374-M415 HydrophobicContact CD2-CE 4.34Å; F374-M415 HydrophobicContact CD2-SD 4.07Å |
| 375 | E | 94.6 | Very high | 92.3 | Very high | 54 Ų | 54 | 77.2 Ų | 77.2 | 25% | 0.252 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64 | -38 | 174.8 | -60.8 | -65 | 171.7 | 0 | 0 | 111.3 | R371 K378 H379 | R371-E375 HydrophobicContact CG-CG 4.28Å; R371-E375 IonicContact CZ-OE1 3.77Å; R371-E375 IonicContact NE-OE1 2.63Å; R371-E375 PolarHBondContact NE-OE1 3.22Å; R371-E375 IonicContact NH2-OE1 3.14Å; R371-E375 PolarHBondContact O-N 3.12Å; E375-K378 WeakPolarHBondContact O-CB 3.5Å; E375-K378 PolarHBondContact O-N 3.37Å; E375-H379 PolarHBondContact O-N 3.18Å |
| 376 | E | 94.7 | Very high | 92 | Very high | 64 Ų | 64 | 74.5 Ų | 74.5 | 30% | 0.299 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 173.1 | -168.4 | -177.6 | 161.7 | 0 | 0 | 111.6 | N372 F374 K378 H379 L380 R407 L411 | N372-E376 WeakPolarHBondContact O-CB 3.48Å; N372-E376 PolarHBondContact O-N 3.08Å; F374-E376 VanDerWaalsContact C-N 3.32Å; F374-E376 PolarHBondContact O-N 2.97Å; E376-K378 VanDerWaalsContact C-N 3.31Å; E376-K378 PolarHBondContact O-N 3.48Å; E376-H379 PolarHBondContact O-N 3.31Å; E376-L380 HydrophobicContact CG-CD1 4.49Å; E376-L380 WeakPolarHBondContact O-CG 3.19Å; E376-L380 PolarHBondContact O-N 3.39Å; E376-R407 IonicContact OE1-CZ 3.3Å; E376-R407 VanDerWaalsContact OE1-CZ 3.3Å; E376-R407 IonicContact OE1-NE 3.01Å; E376-R407 PolarHBondContact OE1-NE 3.01Å; E376-R407 IonicContact OE1-NH2 2.73Å; E376-R407 PolarHBondContact OE1-NH2 2.88Å; E376-R407 IonicContact OE2-NH2 3.74Å; E376-L411 HydrophobicContact CB-CD1 4.16Å; E376-L411 HydrophobicContact CG-CD1 3.69Å; E376-L411 WeakPolarHBondContact OE1-CD1 3.3Å |
| 377 | L | 93.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 173.4 | -79.7 | 171.3 | 0 | 0 | 0 | 111.9 | L373 F374 L380 D381 I408 L411 M415 | L373-L377 WeakPolarHBondContact O-CG 3.31Å; L373-L377 PolarHBondContact O-N 3.31Å; F374-L377 WeakPolarHBondContact O-CB 3.19Å; F374-L377 PolarHBondContact O-N 2.85Å; L377-L380 PolarHBondContact O-N 3.48Å; L377-D381 PolarHBondContact O-N 3.1Å; L377-I408 HydrophobicContact CD2-CB 4.39Å; L377-I408 HydrophobicContact CD2-CG1 4.48Å; L377-I408 HydrophobicContact CD2-CG2 4.11Å; L377-L411 HydrophobicContact CD1-CB 4.47Å; L377-L411 HydrophobicContact CD2-CB 3.62Å; L377-L411 HydrophobicContact CD2-CD1 4.21Å; L377-L411 HydrophobicContact CG-CB 3.9Å; L377-L411 HydrophobicContact CG-CD1 4.36Å; L377-M415 HydrophobicContact CD1-CE 4.2Å; L377-M415 HydrophobicContact CD1-SD 4.12Å |
| 378 | K | 91.9 | Very high | 91 | Very high | 125 Ų | 125 | 77.8 Ų | 77.8 | 54% | 0.543 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.3 | -41.1 | 178 | -174.1 | -176.1 | 175 | -169.7 | 0 | 112.1 | F374 E375 E376 D381 F382 | F374-K378 PolarHBondContact O-N 3.35Å; E375-K378 WeakPolarHBondContact O-CB 3.5Å; E375-K378 PolarHBondContact O-N 3.37Å; E376-K378 VanDerWaalsContact C-N 3.31Å; E376-K378 PolarHBondContact O-N 3.48Å; K378-D381 PolarHBondContact O-N 3.01Å; K378-F382 PolarHBondContact O-N 2.94Å |
| 379 | H | 92.7 | Very high | 90.5 | Very high | 126 Ų | 126 | 79.2 Ų | 79.2 | 58% | 0.583 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -64.8 | -39.2 | 175.8 | -69.3 | 166.2 | 0 | 0 | 0 | 112.4 | E375 E376 F382 F383 | E375-H379 PolarHBondContact O-N 3.18Å; E376-H379 PolarHBondContact O-N 3.31Å; H379-F382 PolarHBondContact O-N 3.3Å; H379-F383 WeakPolarHBondContact O-CB 3.4Å; H379-F383 PolarHBondContact O-N 3.47Å |
| 380 | L | 91.4 | Very high | 89.8 | Confident | 31 Ų | 31 | 81.7 Ų | 81.7 | 16% | 0.162 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.9 | -38.9 | 176.2 | -69.7 | 168.8 | 0 | 0 | 0 | 112.2 | E376 L377 F383 L384 I404 R407 I408 L411 | E376-L380 HydrophobicContact CG-CD1 4.49Å; E376-L380 WeakPolarHBondContact O-CG 3.19Å; E376-L380 PolarHBondContact O-N 3.39Å; L377-L380 PolarHBondContact O-N 3.48Å; L380-F383 PolarHBondContact O-N 3.15Å; L380-L384 WeakPolarHBondContact O-CB 3.49Å; L380-L384 PolarHBondContact O-N 3.12Å; L380-I404 HydrophobicContact CB-CG2 4.43Å; L380-I404 HydrophobicContact CD2-CG2 4.42Å; L380-R407 HydrophobicContact CD1-CB 4.18Å; L380-R407 HydrophobicContact CD1-CG 3.54Å; L380-R407 HydrophobicContact CD2-CG 4.43Å; L380-I408 HydrophobicContact CB-CD1 4.21Å; L380-I408 HydrophobicContact CB-CG1 3.92Å; L380-I408 HydrophobicContact CD1-CG1 4.06Å; L380-L411 HydrophobicContact CD1-CD1 3.5Å |
| 381 | D | 87.7 | Confident | 89.2 | Confident | 76 Ų | 76 | 79.3 Ų | 79.3 | 41% | 0.406 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 175.4 | -169 | 57.9 | 0 | 0 | 0 | 111.8 | L377 K378 L384 A385 | L377-D381 PolarHBondContact O-N 3.1Å; K378-D381 PolarHBondContact O-N 3.01Å; D381-L384 WeakPolarHBondContact O-CB 3.34Å; D381-L384 PolarHBondContact O-N 3.4Å; D381-A385 PolarHBondContact O-N 2.59Å |
| 382 | F | 89 | Confident | 88.8 | Confident | 119 Ų | 119 | 79 Ų | 79 | 52% | 0.522 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 172.8 | 179.7 | -97.7 | 0 | 0 | 0 | 112.1 | K378 H379 L384 A385 E386 | K378-F382 PolarHBondContact O-N 2.94Å; H379-F382 PolarHBondContact O-N 3.3Å; F382-L384 VanDerWaalsContact C-N 3.29Å; F382-L384 PolarHBondContact O-N 2.99Å; F382-A385 WeakPolarHBondContact O-CB 3.36Å; F382-A385 PolarHBondContact O-N 2.69Å; F382-A385 VanDerWaalsContact O-N 3.1Å; F382-E386 HydrophobicContact CD1-CG 4.01Å; F382-E386 HydrophobicContact CE1-CG 3.65Å; F382-E386 VanDerWaalsContact CE1-OE1 3.24Å; F382-E386 WeakPolarHBondContact CE1-OE1 2.91Å; F382-E386 HydrophobicContact CZ-CG 4.05Å; F382-E386 WeakPolarHBondContact CZ-OE1 3.24Å; F382-E386 WeakPolarHBondContact O-CG 3.45Å; F382-E386 PolarHBondContact O-N 3.43Å |
| 383 | F | 88.1 | Confident | 88.1 | Confident | 108 Ų | 108 | 79.2 Ų | 79.2 | 47% | 0.474 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.6 | -37.2 | 177.6 | -174 | -108.8 | 0 | 0 | 0 | 112 | H379 L380 A385 E386 L387 I404 | H379-F383 WeakPolarHBondContact O-CB 3.4Å; H379-F383 PolarHBondContact O-N 3.47Å; L380-F383 PolarHBondContact O-N 3.15Å; F383-A385 VanDerWaalsContact C-N 3.34Å; F383-E386 WeakPolarHBondContact O-CB 3.43Å; F383-E386 PolarHBondContact O-N 3.24Å; F383-L387 HydrophobicContact CD1-CD1 4.31Å; F383-L387 HydrophobicContact CE1-CD1 4.03Å; F383-L387 HydrophobicContact CE1-CG 4.36Å; F383-L387 HydrophobicContact CZ-CD2 4.36Å; F383-L387 WeakPolarHBondContact O-CG 3.37Å; F383-L387 PolarHBondContact O-N 3.07Å; F383-I404 HydrophobicContact CD1-CD1 3.66Å; F383-I404 HydrophobicContact CD1-CG1 4.36Å; F383-I404 HydrophobicContact CE1-CD1 3.74Å; F383-I404 HydrophobicContact CE1-CG1 4.49Å |
| 384 | L | 87.8 | Confident | 87.5 | Confident | 35 Ų | 35 | 80.8 Ų | 80.8 | 18% | 0.183 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61 | -44.4 | 172.2 | -173.2 | 64.8 | 0 | 0 | 0 | 111.1 | L380 D381 F382 E386 L387 Y388 I401 | L380-L384 WeakPolarHBondContact O-CB 3.49Å; L380-L384 PolarHBondContact O-N 3.12Å; D381-L384 WeakPolarHBondContact O-CB 3.34Å; D381-L384 PolarHBondContact O-N 3.4Å; F382-L384 VanDerWaalsContact C-N 3.29Å; F382-L384 PolarHBondContact O-N 2.99Å; L384-E386 PolarHBondContact O-N 3.19Å; L384-L387 PolarHBondContact O-N 3.32Å; L384-Y388 HydrophobicContact CD1-CE2 4.07Å; L384-Y388 WeakPolarHBondContact O-CD2 3.49Å; L384-I401 HydrophobicContact CD1-CB 3.79Å; L384-I401 HydrophobicContact CD1-CD1 4.07Å; L384-I401 HydrophobicContact CD1-CG2 3.41Å; L384-I401 VanDerWaalsContact CD1-CG2 3.41Å |
| 385 | A | 86.9 | Confident | 86.9 | Confident | 57 Ų | 57 | 81.3 Ų | 81.3 | 47% | 0.471 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.8 | -36.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D381 F382 F383 Y388 R389 | D381-A385 PolarHBondContact O-N 2.59Å; F382-A385 WeakPolarHBondContact O-CB 3.36Å; F382-A385 PolarHBondContact O-N 2.69Å; F382-A385 VanDerWaalsContact O-N 3.1Å; F383-A385 VanDerWaalsContact C-N 3.34Å; A385-Y388 PolarHBondContact O-N 2.92Å; A385-R389 PolarHBondContact O-N 2.79Å; A385-R389 VanDerWaalsContact O-N 3.12Å |
| 386 | E | 86.9 | Confident | 86.1 | Confident | 55 Ų | 55 | 86.6 Ų | 86.6 | 26% | 0.257 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 174.2 | -72.2 | -73.6 | 165.9 | 0 | 0 | 112.7 | F382 F383 L384 Y388 R389 | F382-E386 HydrophobicContact CD1-CG 4.01Å; F382-E386 HydrophobicContact CE1-CG 3.65Å; F382-E386 VanDerWaalsContact CE1-OE1 3.24Å; F382-E386 WeakPolarHBondContact CE1-OE1 2.91Å; F382-E386 HydrophobicContact CZ-CG 4.05Å; F382-E386 WeakPolarHBondContact CZ-OE1 3.24Å; F382-E386 WeakPolarHBondContact O-CG 3.45Å; F382-E386 PolarHBondContact O-N 3.43Å; F383-E386 WeakPolarHBondContact O-CB 3.43Å; F383-E386 PolarHBondContact O-N 3.24Å; L384-E386 PolarHBondContact O-N 3.19Å; E386-Y388 PolarHBondContact O-N 3.08Å; E386-R389 WeakPolarHBondContact O-CB 3.14Å; E386-R389 PolarHBondContact O-N 3.46Å; E386-R389 IonicContact OE1-CZ 3.46Å; E386-R389 IonicContact OE1-NH1 3.88Å; E386-R389 PolarHBondContact OE1-NH1 2.68Å; E386-R389 IonicContact OE1-NH2 2.71Å; E386-R389 PolarHBondContact OE1-NH2 3.01Å; E386-R389 IonicContact OE2-CZ 3.69Å; E386-R389 IonicContact OE2-NE 2.83Å; E386-R389 IonicContact OE2-NH1 2.9Å; E386-R389 PolarHBondContact OE2-NH1 3.09Å; E386-R389 IonicContact OE2-NH2 3.69Å |
| 387 | L | 85.9 | Confident | 85.1 | Confident | 61 Ų | 61 | 90.1 Ų | 90.1 | 32% | 0.319 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.6 | -31.4 | 179.2 | -70.8 | 172.8 | 0 | 0 | 0 | 112.6 | F383 L384 P399 I401 I404 | F383-L387 HydrophobicContact CD1-CD1 4.31Å; F383-L387 HydrophobicContact CE1-CD1 4.03Å; F383-L387 HydrophobicContact CE1-CG 4.36Å; F383-L387 HydrophobicContact CZ-CD2 4.36Å; F383-L387 WeakPolarHBondContact O-CG 3.37Å; F383-L387 PolarHBondContact O-N 3.07Å; L384-L387 PolarHBondContact O-N 3.32Å; L387-P399 HydrophobicContact CB-CB 4.37Å; L387-P399 HydrophobicContact CB-CG 4.19Å; L387-I401 HydrophobicContact CD1-CG2 4.31Å; L387-I404 HydrophobicContact CD1-CD1 3.49Å; L387-I404 VanDerWaalsContact CD1-CD1 3.49Å |
| 388 | Y | 83.2 | Confident | 84.3 | Confident | 86 Ų | 86 | 94.8 Ų | 94.8 | 34% | 0.337 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -94 | -8.9 | 178.4 | -72.5 | -81.1 | 0 | 0 | 0 | 114.1 | L384 A385 E386 H390 L391 P399 I401 | L384-Y388 HydrophobicContact CD1-CE2 4.07Å; L384-Y388 WeakPolarHBondContact O-CD2 3.49Å; A385-Y388 PolarHBondContact O-N 2.92Å; E386-Y388 PolarHBondContact O-N 3.08Å; Y388-H390 VanDerWaalsContact C-N 3.32Å; Y388-H390 PolarHBondContact O-N 2.77Å; Y388-L391 HydrophobicContact CD1-CD1 3.7Å; Y388-L391 HydrophobicContact CE1-CD1 4.2Å; Y388-L391 HydrophobicContact CG-CD1 4.44Å; Y388-L391 PolarHBondContact O-N 3.08Å; Y388-L391 VanDerWaalsContact O-N 3.15Å; Y388-P399 HydrophobicContact CD1-CG 4.34Å; Y388-P399 HydrophobicContact CE1-CG 3.87Å; Y388-P399 HydrophobicContact CE2-CG 4.15Å; Y388-I401 HydrophobicContact CE2-CG2 4.07Å |
| 389 | R | 82.3 | Confident | 83.9 | Confident | 132 Ų | 132 | 90.5 Ų | 90.5 | 50% | 0.498 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.3 | -39.9 | -169.6 | 176.6 | 176.5 | -68.5 | 158.7 | 5.6 | 114.2 | A385 E386 | A385-R389 PolarHBondContact O-N 2.79Å; A385-R389 VanDerWaalsContact O-N 3.12Å; E386-R389 WeakPolarHBondContact O-CB 3.14Å; E386-R389 PolarHBondContact O-N 3.46Å; E386-R389 IonicContact OE1-CZ 3.46Å; E386-R389 IonicContact OE1-NH1 3.88Å; E386-R389 PolarHBondContact OE1-NH1 2.68Å; E386-R389 IonicContact OE1-NH2 2.71Å; E386-R389 PolarHBondContact OE1-NH2 3.01Å; E386-R389 IonicContact OE2-CZ 3.69Å; E386-R389 IonicContact OE2-NE 2.83Å; E386-R389 IonicContact OE2-NH1 2.9Å; E386-R389 PolarHBondContact OE2-NH1 3.09Å; E386-R389 IonicContact OE2-NH2 3.69Å |
| 390 | H | 79 | Confident | 83.6 | Confident | 162 Ų | 162 | 90.1 Ų | 90.1 | 75% | 0.75 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | 4 | -175.4 | -61.2 | -61.6 | 0 | 0 | 0 | 113 | Y388 | Y388-H390 VanDerWaalsContact C-N 3.32Å; Y388-H390 PolarHBondContact O-N 2.77Å |
| 391 | L | 81.9 | Confident | 83.5 | Confident | 65 Ų | 65 | 89.9 Ų | 89.9 | 34% | 0.34 | 49% | 0.488 | S | S | . | . | trans | -86.3 | 129.9 | 174.9 | -56.6 | 178.8 | 0 | 0 | 0 | 108.8 | Y388 S395 P399 | Y388-L391 HydrophobicContact CD1-CD1 3.7Å; Y388-L391 HydrophobicContact CE1-CD1 4.2Å; Y388-L391 HydrophobicContact CG-CD1 4.44Å; Y388-L391 PolarHBondContact O-N 3.08Å; Y388-L391 VanDerWaalsContact O-N 3.15Å; L391-S395 WeakPolarHBondContact CA-OG 3.33Å; L391-P399 HydrophobicContact CD1-CG 4.15Å | ||
| 392 | D | 82.5 | Confident | 83.6 | Confident | 110 Ų | 110 | 89.2 Ų | 89.2 | 59% | 0.588 | 49% | 0.49 | S | S | * | . | trans | -109.2 | -179.5 | 174.5 | 70.6 | 0.8 | 0 | 0 | 0 | 111 | G394 S395 | D392-G394 PolarHBondContact O-N 3.33Å; D392-G394 VanDerWaalsContact O-N 3.07Å; D392-G394 WeakPolarHBondContact OD1-CA 3.33Å; D392-G394 PolarHBondContact OD1-N 2.96Å; D392-S395 PolarHBondContact N-OG 3.12Å; D392-S395 VanDerWaalsContact O-CB 3.29Å; D392-S395 WeakPolarHBondContact O-CB 3.31Å; D392-S395 PolarHBondContact O-N 3.38Å; D392-S395 PolarHBondContact O-OG 3.43Å; D392-S395 PolarHBondContact OD1-N 3.11Å; D392-S395 PolarHBondContact OD1-OG 3.28Å | ||
| 393 | S | 82.1 | Confident | 83.7 | Confident | 136 Ų | 136 | 89.8 Ų | 89.8 | 95% | 0.951 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -12 | 178.7 | 55.7 | 0 | 0 | 0 | 0 | 114.3 | ||
| 394 | G | 80.4 | Confident | 83.8 | Confident | 55 Ų | 55 | 85.7 Ų | 85.7 | 57% | 0.567 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -6.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D392 I396 | D392-G394 PolarHBondContact O-N 3.33Å; D392-G394 VanDerWaalsContact O-N 3.07Å; D392-G394 WeakPolarHBondContact OD1-CA 3.33Å; D392-G394 PolarHBondContact OD1-N 2.96Å; G394-I396 PolarHBondContact O-N 3.1Å |
| 395 | S | 82.3 | Confident | 83.9 | Confident | 50 Ų | 50 | 88.1 Ų | 88.1 | 35% | 0.35 | 49% | 0.491 | S | S | . | . | trans | -73.3 | 124.8 | -177.1 | -61 | 0 | 0 | 0 | 0 | 111 | L391 D392 | L391-S395 WeakPolarHBondContact CA-OG 3.33Å; D392-S395 PolarHBondContact N-OG 3.12Å; D392-S395 VanDerWaalsContact O-CB 3.29Å; D392-S395 WeakPolarHBondContact O-CB 3.31Å; D392-S395 PolarHBondContact O-N 3.38Å; D392-S395 PolarHBondContact O-OG 3.43Å; D392-S395 PolarHBondContact OD1-N 3.11Å; D392-S395 PolarHBondContact OD1-OG 3.28Å | ||
| 396 | I | 77.1 | Confident | 84.2 | Confident | 165 Ų | 165 | 89.4 Ų | 89.4 | 85% | 0.846 | 49% | 0.493 | S | S | * | . | trans | -95.1 | -25.6 | 179.5 | -57.1 | 169.6 | 0 | 0 | 0 | 110.7 | G394 C398 | G394-I396 PolarHBondContact O-N 3.1Å; I396-C398 PolarHBondContact O-N 3.42Å | ||
| 397 | D | 75.1 | Confident | 84.5 | Confident | 138 Ų | 138 | 91.7 Ų | 91.7 | 74% | 0.738 | 50% | 0.5 | S | S | * | . | P | Polyproline II helix | trans | -78.2 | 117 | -180 | -67.8 | -35.7 | 0 | 0 | 0 | 110.7 | ||
| 398 | C | 77 | Confident | 84.8 | Confident | 99 Ų | 99 | 89.6 Ų | 89.6 | 67% | 0.669 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -101.1 | 120.1 | 172.7 | -171.3 | 0 | 0 | 0 | 0 | 109 | I396 | I396-C398 PolarHBondContact O-N 3.42Š|
| 399 | P | 82.7 | Confident | 85.3 | Confident | 34 Ų | 34 | 91 Ų | 91 | 22% | 0.221 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 140.4 | 178 | 23.7 | -31.1 | 0 | 0 | 0 | 110.7 | L387 Y388 L391 I401 | L387-P399 HydrophobicContact CB-CB 4.37Å; L387-P399 HydrophobicContact CB-CG 4.19Å; Y388-P399 HydrophobicContact CD1-CG 4.34Å; Y388-P399 HydrophobicContact CE1-CG 3.87Å; Y388-P399 HydrophobicContact CE2-CG 4.15Å; L391-P399 HydrophobicContact CD1-CG 4.15Å; P399-I401 PolarHBondContact O-N 2.94Å |
| 400 | D | 85.5 | Confident | 85.8 | Confident | 118 Ų | 118 | 88 Ų | 88 | 63% | 0.631 | 49% | 0.492 | S | S | * | . | trans | -75.2 | 113.1 | 173 | 178.6 | 17.6 | 0 | 0 | 0 | 110.4 | S402 | D400-S402 WeakPolarHBondContact OD1-CB 3.3Å; D400-S402 PolarHBondContact OD1-N 3.06Å; D400-S402 PolarHBondContact OD1-OG 2.62Å | ||
| 401 | I | 89.8 | Confident | 86.6 | Confident | 26 Ų | 26 | 80.2 Ų | 80.2 | 13% | 0.133 | 46% | 0.457 | C | S | . | . | trans | -106.1 | 5.2 | -177.2 | 62.5 | 173.3 | 0 | 0 | 0 | 112.8 | L384 L387 Y388 P399 N403 I404 Q405 | L384-I401 HydrophobicContact CD1-CB 3.79Å; L384-I401 HydrophobicContact CD1-CD1 4.07Å; L384-I401 HydrophobicContact CD1-CG2 3.41Å; L384-I401 VanDerWaalsContact CD1-CG2 3.41Å; L387-I401 HydrophobicContact CD1-CG2 4.31Å; Y388-I401 HydrophobicContact CE2-CG2 4.07Å; P399-I401 PolarHBondContact O-N 2.94Å; I401-N403 VanDerWaalsContact C-N 3.31Å; I401-N403 PolarHBondContact O-N 2.98Å; I401-I404 PolarHBondContact O-N 3.45Å; I401-I404 VanDerWaalsContact O-N 3.09Å; I401-Q405 HydrophobicContact CD1-CG 4.17Å; I401-Q405 HydrophobicContact CG1-CG 4.15Å; I401-Q405 WeakPolarHBondContact O-CG 3.41Å; I401-Q405 PolarHBondContact O-N 2.95Å | ||
| 402 | S | 90.4 | Very high | 87.2 | Confident | 62 Ų | 62 | 78.4 Ų | 78.4 | 43% | 0.434 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57.8 | -41.9 | -171.6 | -55 | 0 | 0 | 0 | 0 | 112.7 | D400 T406 | D400-S402 WeakPolarHBondContact OD1-CB 3.3Å; D400-S402 PolarHBondContact OD1-N 3.06Å; D400-S402 PolarHBondContact OD1-OG 2.62Å; S402-T406 WeakPolarHBondContact O-CB 3.43Å; S402-T406 PolarHBondContact O-N 3.35Å; S402-T406 PolarHBondContact O-OG1 3.42Å |
| 403 | N | 90.8 | Very high | 87.8 | Confident | 132 Ų | 132 | 78.6 Ų | 78.6 | 71% | 0.706 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67.9 | -40.6 | 178.2 | -72.6 | -31.5 | 0 | 0 | 0 | 112.3 | I401 T406 R407 | I401-N403 VanDerWaalsContact C-N 3.31Å; I401-N403 PolarHBondContact O-N 2.98Å; N403-T406 PolarHBondContact O-N 3.19Å; N403-R407 WeakPolarHBondContact O-CB 3.15Å; N403-R407 PolarHBondContact O-N 2.91Å |
| 404 | I | 90.4 | Very high | 88.4 | Confident | 21 Ų | 21 | 78 Ų | 78 | 11% | 0.108 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.1 | -48.2 | 178.6 | -60.7 | 165.9 | 0 | 0 | 0 | 109.5 | L380 F383 L387 I401 T406 R407 I408 | L380-I404 HydrophobicContact CB-CG2 4.43Å; L380-I404 HydrophobicContact CD2-CG2 4.42Å; F383-I404 HydrophobicContact CD1-CD1 3.66Å; F383-I404 HydrophobicContact CD1-CG1 4.36Å; F383-I404 HydrophobicContact CE1-CD1 3.74Å; F383-I404 HydrophobicContact CE1-CG1 4.49Å; L387-I404 HydrophobicContact CD1-CD1 3.49Å; L387-I404 VanDerWaalsContact CD1-CD1 3.49Å; I401-I404 PolarHBondContact O-N 3.45Å; I401-I404 VanDerWaalsContact O-N 3.09Å; I404-T406 VanDerWaalsContact C-N 3.32Å; I404-T406 PolarHBondContact O-N 2.81Å; I404-R407 PolarHBondContact O-N 3.32Å; I404-R407 VanDerWaalsContact O-N 3.16Å; I404-I408 HydrophobicContact CG2-CD1 3.93Å; I404-I408 HydrophobicContact CG2-CG1 4.47Å; I404-I408 WeakPolarHBondContact O-CG1 3.26Å; I404-I408 PolarHBondContact O-N 3.07Å |
| 405 | Q | 89.8 | Confident | 89.1 | Confident | 87 Ų | 87 | 75.4 Ų | 75.4 | 41% | 0.407 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 176.9 | -72.3 | -175.5 | -16.6 | 0 | 0 | 111.9 | I401 R407 I408 K409 | I401-Q405 HydrophobicContact CD1-CG 4.17Å; I401-Q405 HydrophobicContact CG1-CG 4.15Å; I401-Q405 WeakPolarHBondContact O-CG 3.41Å; I401-Q405 PolarHBondContact O-N 2.95Å; Q405-R407 VanDerWaalsContact C-N 3.34Å; Q405-R407 PolarHBondContact O-N 3.39Å; Q405-I408 PolarHBondContact O-N 3.31Å; Q405-K409 WeakPolarHBondContact O-CG 3.19Å; Q405-K409 PolarHBondContact O-N 3.45Å |
| 406 | T | 92.3 | Very high | 89.8 | Confident | 83 Ų | 83 | 73.4 Ų | 73.4 | 51% | 0.509 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 176.1 | -59.8 | 0 | 0 | 0 | 0 | 111.1 | S402 N403 I404 K409 V410 | S402-T406 WeakPolarHBondContact O-CB 3.43Å; S402-T406 PolarHBondContact O-N 3.35Å; S402-T406 PolarHBondContact O-OG1 3.42Å; N403-T406 PolarHBondContact O-N 3.19Å; I404-T406 VanDerWaalsContact C-N 3.32Å; I404-T406 PolarHBondContact O-N 2.81Å; T406-K409 PolarHBondContact O-N 2.87Å; T406-V410 WeakPolarHBondContact O-CG2 3.47Å; T406-V410 PolarHBondContact O-N 3.44Å |
| 407 | R | 93.6 | Very high | 90.7 | Very high | 104 Ų | 104 | 69.3 Ų | 69.3 | 39% | 0.392 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 176.8 | -174.9 | 63.5 | 176.7 | -171.3 | -0.8 | 111.9 | E376 L380 N403 I404 Q405 K409 V410 L411 | E376-R407 IonicContact OE1-CZ 3.3Å; E376-R407 VanDerWaalsContact OE1-CZ 3.3Å; E376-R407 IonicContact OE1-NE 3.01Å; E376-R407 PolarHBondContact OE1-NE 3.01Å; E376-R407 IonicContact OE1-NH2 2.73Å; E376-R407 PolarHBondContact OE1-NH2 2.88Å; E376-R407 IonicContact OE2-NH2 3.74Å; L380-R407 HydrophobicContact CD1-CB 4.18Å; L380-R407 HydrophobicContact CD1-CG 3.54Å; L380-R407 HydrophobicContact CD2-CG 4.43Å; N403-R407 WeakPolarHBondContact O-CB 3.15Å; N403-R407 PolarHBondContact O-N 2.91Å; I404-R407 PolarHBondContact O-N 3.32Å; I404-R407 VanDerWaalsContact O-N 3.16Å; Q405-R407 VanDerWaalsContact C-N 3.34Å; Q405-R407 PolarHBondContact O-N 3.39Å; R407-K409 VanDerWaalsContact C-N 3.35Å; R407-K409 PolarHBondContact O-N 3.42Å; R407-V410 PolarHBondContact O-N 3.36Å; R407-L411 HydrophobicContact CG-CD1 4.03Å; R407-L411 HydrophobicContact CG-CG 4.43Å; R407-L411 WeakPolarHBondContact O-CB 3.36Å; R407-L411 WeakPolarHBondContact O-CG 3.3Å; R407-L411 PolarHBondContact O-N 3.06Å |
| 408 | I | 93.4 | Very high | 91.7 | Very high | 17 Ų | 17 | 64.5 Ų | 64.5 | 9% | 0.087 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 175.3 | -71.6 | 170.7 | 0 | 0 | 0 | 110.6 | L377 L380 I404 Q405 V410 L411 T412 Y430 | L377-I408 HydrophobicContact CD2-CB 4.39Å; L377-I408 HydrophobicContact CD2-CG1 4.48Å; L377-I408 HydrophobicContact CD2-CG2 4.11Å; L380-I408 HydrophobicContact CB-CD1 4.21Å; L380-I408 HydrophobicContact CB-CG1 3.92Å; L380-I408 HydrophobicContact CD1-CG1 4.06Å; I404-I408 HydrophobicContact CG2-CD1 3.93Å; I404-I408 HydrophobicContact CG2-CG1 4.47Å; I404-I408 WeakPolarHBondContact O-CG1 3.26Å; I404-I408 PolarHBondContact O-N 3.07Å; Q405-I408 PolarHBondContact O-N 3.31Å; I408-V410 PolarHBondContact O-N 3.17Å; I408-L411 PolarHBondContact O-N 2.68Å; I408-T412 VanDerWaalsContact O-CB 3.22Å; I408-T412 WeakPolarHBondContact O-CB 3.4Å; I408-T412 PolarHBondContact O-N 3.02Å; I408-T412 PolarHBondContact O-OG1 2.99Å; I408-Y430 HydrophobicContact CG2-CE1 3.98Å |
| 409 | K | 92.3 | Very high | 92.7 | Very high | 115 Ų | 115 | 60.6 Ų | 60.6 | 50% | 0.5 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 177.7 | -71.3 | -178.8 | -172.1 | -171.1 | 0 | 111.8 | E117 Q405 T406 R407 T412 H413 | E117-K409 IonicContact OE2-NZ 3.33Å; E117-K409 PolarHBondContact OE2-NZ 3.43Å; Q405-K409 WeakPolarHBondContact O-CG 3.19Å; Q405-K409 PolarHBondContact O-N 3.45Å; T406-K409 PolarHBondContact O-N 2.87Å; R407-K409 VanDerWaalsContact C-N 3.35Å; R407-K409 PolarHBondContact O-N 3.42Å; K409-T412 PolarHBondContact O-N 2.87Å; K409-H413 WeakPolarHBondContact O-CB 3.49Å; K409-H413 PolarHBondContact O-N 3.4Å |
| 410 | V | 94.2 | Very high | 93.3 | Very high | 68 Ų | 68 | 59.6 Ų | 59.6 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.2 | -45.8 | 178.9 | 171 | 0 | 0 | 0 | 0 | 111.8 | T406 R407 I408 H413 R414 | T406-V410 WeakPolarHBondContact O-CG2 3.47Å; T406-V410 PolarHBondContact O-N 3.44Å; R407-V410 PolarHBondContact O-N 3.36Å; I408-V410 PolarHBondContact O-N 3.17Å; V410-H413 PolarHBondContact O-N 2.81Å; V410-R414 WeakPolarHBondContact O-CB 3.23Å; V410-R414 VanDerWaalsContact O-CG 3.31Å; V410-R414 WeakPolarHBondContact O-CG 3.2Å; V410-R414 PolarHBondContact O-N 3.43Å |
| 411 | L | 94.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 178.7 | -71.3 | 174 | 0 | 0 | 0 | 111.9 | L373 E376 L377 L380 R407 I408 R414 M415 | L373-L411 HydrophobicContact CD2-CD2 4.08Å; E376-L411 HydrophobicContact CB-CD1 4.16Å; E376-L411 HydrophobicContact CG-CD1 3.69Å; E376-L411 WeakPolarHBondContact OE1-CD1 3.3Å; L377-L411 HydrophobicContact CD1-CB 4.47Å; L377-L411 HydrophobicContact CD2-CB 3.62Å; L377-L411 HydrophobicContact CD2-CD1 4.21Å; L377-L411 HydrophobicContact CG-CB 3.9Å; L377-L411 HydrophobicContact CG-CD1 4.36Å; L380-L411 HydrophobicContact CD1-CD1 3.5Å; R407-L411 HydrophobicContact CG-CD1 4.03Å; R407-L411 HydrophobicContact CG-CG 4.43Å; R407-L411 WeakPolarHBondContact O-CB 3.36Å; R407-L411 WeakPolarHBondContact O-CG 3.3Å; R407-L411 PolarHBondContact O-N 3.06Å; I408-L411 PolarHBondContact O-N 2.68Å; L411-R414 PolarHBondContact O-N 3.03Å; L411-M415 WeakPolarHBondContact O-CB 3.35Å; L411-M415 PolarHBondContact O-N 2.87Å |
| 412 | T | 95.2 | Very high | 94.2 | Very high | 26 Ų | 26 | 55.5 Ų | 55.5 | 16% | 0.16 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -56.6 | -51.6 | 174.3 | -64.5 | 0 | 0 | 0 | 0 | 110.6 | I408 K409 R414 M415 D416 | I408-T412 VanDerWaalsContact O-CB 3.22Å; I408-T412 WeakPolarHBondContact O-CB 3.4Å; I408-T412 PolarHBondContact O-N 3.02Å; I408-T412 PolarHBondContact O-OG1 2.99Å; K409-T412 PolarHBondContact O-N 2.87Å; T412-R414 PolarHBondContact O-N 3.34Å; T412-M415 PolarHBondContact O-N 3.21Å; T412-D416 WeakPolarHBondContact O-CB 3.18Å; T412-D416 VanDerWaalsContact O-CG 3.31Å; T412-D416 PolarHBondContact O-N 2.85Å |
| 413 | H | 94.6 | Very high | 94.5 | Very high | 114 Ų | 114 | 52.6 Ų | 52.6 | 53% | 0.528 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 177.3 | 178.9 | -86.7 | 0 | 0 | 0 | 112.3 | K409 V410 M415 D416 M417 | K409-H413 WeakPolarHBondContact O-CB 3.49Å; K409-H413 PolarHBondContact O-N 3.4Å; V410-H413 PolarHBondContact O-N 2.81Å; H413-M415 VanDerWaalsContact C-N 3.32Å; H413-M415 PolarHBondContact O-N 2.99Å; H413-D416 PolarHBondContact O-N 2.98Å; H413-M417 WeakPolarHBondContact O-CB 3.27Å; H413-M417 VanDerWaalsContact O-CG 3.27Å; H413-M417 WeakPolarHBondContact O-CG 3.3Å; H413-M417 PolarHBondContact O-N 3.46Å |
| 414 | R | 95.3 | Very high | 94.9 | Very high | 123 Ų | 123 | 46.3 Ų | 46.3 | 46% | 0.464 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.5 | -40.5 | 178.7 | -74.9 | 175.9 | 66.5 | -163.5 | -0.3 | 112.5 | V410 L411 T412 S418 | V410-R414 WeakPolarHBondContact O-CB 3.23Å; V410-R414 VanDerWaalsContact O-CG 3.31Å; V410-R414 WeakPolarHBondContact O-CG 3.2Å; V410-R414 PolarHBondContact O-N 3.43Å; L411-R414 PolarHBondContact O-N 3.03Å; T412-R414 PolarHBondContact O-N 3.34Å; R414-S418 PolarHBondContact O-OG 3.01Å; R414-S418 VanDerWaalsContact O-OG 3.1Å |
| 415 | M | 95.5 | Very high | 95.3 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68 | -48.3 | 177.9 | -171.3 | 179.3 | 78.2 | 0 | 0 | 110.5 | L373 F374 L377 L411 T412 H413 M417 S418 Y419 R427 G429 | L373-M415 HydrophobicContact CB-CB 4.48Å; L373-M415 HydrophobicContact CD1-CB 4.36Å; F374-M415 HydrophobicContact CB-SD 4.02Å; F374-M415 HydrophobicContact CD2-CE 4.34Å; F374-M415 HydrophobicContact CD2-SD 4.07Å; L377-M415 HydrophobicContact CD1-CE 4.2Å; L377-M415 HydrophobicContact CD1-SD 4.12Å; L411-M415 WeakPolarHBondContact O-CB 3.35Å; L411-M415 PolarHBondContact O-N 2.87Å; T412-M415 PolarHBondContact O-N 3.21Å; H413-M415 VanDerWaalsContact C-N 3.32Å; H413-M415 PolarHBondContact O-N 2.99Å; M415-M417 PolarHBondContact O-N 2.99Å; M415-S418 VanDerWaalsContact O-CB 3.27Å; M415-S418 WeakPolarHBondContact O-CB 3.34Å; M415-S418 PolarHBondContact O-N 2.77Å; M415-S418 VanDerWaalsContact O-N 3.07Å; M415-Y419 HydrophobicContact CG-CE2 4.34Å; M415-Y419 VanDerWaalsContact O-CD2 3.31Å; M415-Y419 WeakPolarHBondContact O-CD2 3.5Å; M415-R427 HydrophobicContact CE-CG 4.49Å; M415-G429 VanDerWaalsContact CE-O 3.26Å; M415-G429 WeakPolarHBondContact CE-O 3.44Å |
| 416 | D | 96.4 | Very high | 95.6 | Very high | 9 Ų | 9 | 42.8 Ų | 42.8 | 5% | 0.048 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | -178.7 | -73.9 | 5.5 | 0 | 0 | 0 | 111.3 | T412 H413 S418 Y419 G423 S428 G429 | T412-D416 WeakPolarHBondContact O-CB 3.18Å; T412-D416 VanDerWaalsContact O-CG 3.31Å; T412-D416 PolarHBondContact O-N 2.85Å; H413-D416 PolarHBondContact O-N 2.98Å; D416-S418 PolarHBondContact O-N 3.4Å; D416-Y419 PolarHBondContact O-N 2.69Å; D416-G423 WeakPolarHBondContact O-CA 3.31Å; D416-S428 WeakPolarHBondContact OD1-CA 3.4Å; D416-S428 WeakPolarHBondContact OD2-CA 3.36Å; D416-S428 VanDerWaalsContact OD2-CB 3.29Å; D416-S428 WeakPolarHBondContact OD2-CB 3.4Å; D416-S428 PolarHBondContact OD2-OG 2.89Å; D416-G429 PolarHBondContact OD1-N 2.96Å; D416-G429 VanDerWaalsContact OD1-N 3.08Å |
| 417 | M | 96.1 | Very high | 95.9 | Very high | 79 Ų | 79 | 41 Ų | 41 | 39% | 0.389 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -18.4 | 177.4 | -70.3 | -58.1 | 97.2 | 0 | 0 | 114.4 | H413 M415 Y419 Q421 | H413-M417 WeakPolarHBondContact O-CB 3.27Å; H413-M417 VanDerWaalsContact O-CG 3.27Å; H413-M417 WeakPolarHBondContact O-CG 3.3Å; H413-M417 PolarHBondContact O-N 3.46Å; M415-M417 PolarHBondContact O-N 2.99Å; M417-Y419 PolarHBondContact O-N 3.43Å; M417-Q421 WeakPolarHBondContact CE-O 3.39Å |
| 418 | S | 96.3 | Very high | 96 | Very high | 36 Ų | 36 | 36.7 Ų | 36.7 | 25% | 0.252 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -20.2 | 176.4 | -58.2 | 0 | 0 | 0 | 0 | 112.9 | R414 M415 D416 | R414-S418 PolarHBondContact O-OG 3.01Å; R414-S418 VanDerWaalsContact O-OG 3.1Å; M415-S418 VanDerWaalsContact O-CB 3.27Å; M415-S418 WeakPolarHBondContact O-CB 3.34Å; M415-S418 PolarHBondContact O-N 2.77Å; M415-S418 VanDerWaalsContact O-N 3.07Å; D416-S418 PolarHBondContact O-N 3.4Å |
| 419 | Y | 96.6 | Very high | 96.1 | Very high | 17 Ų | 17 | 35.9 Ų | 35.9 | 7% | 0.067 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -36.2 | 178.7 | -64.4 | -94.5 | 0 | 0 | 0 | 112.1 | K362 E363 V366 M415 D416 M417 | K362-Y419 PolarHBondContact NZ-O 3.29Å; E363-Y419 HydrophobicContact CB-CE1 4.45Å; E363-Y419 WeakPolarHBondContact OE2-CD1 3.18Å; E363-Y419 WeakPolarHBondContact OE2-CE1 3.35Å; V366-Y419 HydrophobicContact CB-CD1 4.03Å; V366-Y419 HydrophobicContact CB-CE1 3.73Å; V366-Y419 HydrophobicContact CG1-CD1 3.89Å; V366-Y419 HydrophobicContact CG1-CD2 3.95Å; V366-Y419 HydrophobicContact CG1-CE1 3.67Å; V366-Y419 HydrophobicContact CG1-CE2 3.72Å; V366-Y419 HydrophobicContact CG1-CG 4.02Å; M415-Y419 HydrophobicContact CG-CE2 4.34Å; M415-Y419 VanDerWaalsContact O-CD2 3.31Å; M415-Y419 WeakPolarHBondContact O-CD2 3.5Å; D416-Y419 PolarHBondContact O-N 2.69Å; M417-Y419 PolarHBondContact O-N 3.43Å |
| 420 | G | 96.2 | Very high | 96 | Very high | 13 Ų | 13 | 36.1 Ų | 36.1 | 13% | 0.134 | 17% | 0.174 | C | C | . | . | trans | 157.7 | 178.2 | -175 | 0 | 0 | 0 | 0 | 0 | 110.5 | S81 M422 G423 | S81-G420 CarbonylContact O-C 3.55Å; S81-G420 WeakPolarHBondContact O-CA 3.41Å; G420-M422 VanDerWaalsContact C-N 3.32Å; G420-M422 PolarHBondContact O-N 3.4Å; G420-G423 WeakPolarHBondContact O-CA 3.29Å; G420-G423 PolarHBondContact O-N 3.42Å | ||
| 421 | Q | 97.1 | Very high | 96 | Very high | 57 Ų | 57 | 34.9 Ų | 34.9 | 27% | 0.266 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -33.6 | -176.4 | -53.3 | -178.8 | 40.8 | 0 | 0 | 112.2 | D79 S81 F82 F114 M417 G423 | D79-Q421 PolarHBondContact OD2-NE2 2.86Å; S81-Q421 PolarHBondContact O-N 2.89Å; S81-Q421 PolarHBondContact OG-NE2 3.47Å; F82-Q421 HydrophobicContact CD2-CB 4.23Å; F114-Q421 VanDerWaalsContact CE1-O 3.3Å; F114-Q421 WeakPolarHBondContact CE1-O 3.38Å; F114-Q421 HydrophobicContact CE2-CB 4.07Å; F114-Q421 HydrophobicContact CZ-CB 3.73Å; F114-Q421 VanDerWaalsContact CZ-O 3.27Å; F114-Q421 WeakPolarHBondContact CZ-O 3.43Å; M417-Q421 WeakPolarHBondContact CE-O 3.39Å; Q421-G423 VanDerWaalsContact C-N 3.32Å |
| 422 | M | 97.3 | Very high | 96.1 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | 3.9 | 171.9 | -74.1 | -67.9 | -142.8 | 0 | 0 | 113.7 | F82 T84 I87 L96 K98 V107 F114 G420 | F82-M422 HydrophobicContact CE1-CE 4.46Å; F82-M422 HydrophobicContact CZ-CE 4.2Å; F82-M422 WeakPolarHBondContact O-CB 3.25Å; F82-M422 WeakPolarHBondContact O-CG 3.4Å; F82-M422 PolarHBondContact O-N 3.44Å; T84-M422 WeakPolarHBondContact OG1-CB 3.33Å; I87-M422 HydrophobicContact CD1-CB 4.36Å; I87-M422 HydrophobicContact CD1-CE 3.99Å; I87-M422 HydrophobicContact CD1-CG 4.34Å; I87-M422 HydrophobicContact CD1-SD 4.07Å; I87-M422 HydrophobicContact CG1-CE 4.38Å; I87-M422 HydrophobicContact CG2-CE 4.25Å; L96-M422 HydrophobicContact CB-CE 3.51Å; L96-M422 HydrophobicContact CD1-CE 4.05Å; L96-M422 HydrophobicContact CG-CE 4.45Å; K98-M422 WeakPolarHBondContact CD-O 3.4Å; K98-M422 PolarHBondContact NZ-O 2.92Å; V107-M422 HydrophobicContact CG1-SD 4.1Å; F114-M422 HydrophobicContact CE1-SD 3.84Å; F114-M422 HydrophobicContact CZ-SD 4.33Å; G420-M422 VanDerWaalsContact C-N 3.32Å; G420-M422 PolarHBondContact O-N 3.4Å |
| 423 | G | 97.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | trans | 69 | -168 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | T84 D416 G420 Q421 | T84-G423 WeakPolarHBondContact CG2-O 3.12Å; T84-G423 PolarHBondContact OG1-O 2.92Å; D416-G423 WeakPolarHBondContact O-CA 3.31Å; G420-G423 WeakPolarHBondContact O-CA 3.29Å; G420-G423 PolarHBondContact O-N 3.42Å; Q421-G423 VanDerWaalsContact C-N 3.32Å | ||
| 424 | S | 98.1 | Very high | 96.4 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | trans | -61.7 | 142.7 | -177.7 | 166.6 | 0 | 0 | 0 | 0 | 112.7 | K98 E363 L426 R427 | K98-S424 WeakPolarHBondContact CE-O 3.26Å; K98-S424 PolarHBondContact NZ-O 3.49Å; E363-S424 WeakPolarHBondContact OE1-CA 3.38Å; E363-S424 PolarHBondContact OE1-OG 3.04Å; E363-S424 WeakPolarHBondContact OE2-CB 3.22Å; E363-S424 PolarHBondContact OE2-OG 3.26Å; S424-L426 PolarHBondContact O-N 3.3Å; S424-L426 PolarHBondContact OG-N 2.96Å; S424-R427 PolarHBondContact OG-N 2.9Å | ||
| 425 | L | 97.9 | Very high | 96.5 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -54.5 | -33.1 | 169.6 | 175.8 | 58.5 | 0 | 0 | 0 | 112.1 | T84 R85 V357 E359 E363 T433 F435 | T84-L425 HydrophobicContact CG2-CB 4.15Å; T84-L425 HydrophobicContact CG2-CD1 4.45Å; R85-L425 HydrophobicContact CB-CD1 3.99Å; R85-L425 WeakPolarHBondContact O-CD1 3.38Å; V357-L425 HydrophobicContact CG1-CD2 3.72Å; E359-L425 HydrophobicContact CB-CD2 4.45Å; E363-L425 WeakPolarHBondContact OE1-CB 3.27Å; E363-L425 PolarHBondContact OE1-N 3.47Å; L425-T433 WeakPolarHBondContact O-CG2 3.36Å; L425-T433 PolarHBondContact O-OG1 3.46Å; L425-F435 HydrophobicContact CD1-CB 4.14Å; L425-F435 HydrophobicContact CD1-CD1 3.64Å; L425-F435 HydrophobicContact CD1-CD2 4.09Å; L425-F435 HydrophobicContact CD1-CE1 4.04Å; L425-F435 HydrophobicContact CD1-CE2 4.44Å; L425-F435 HydrophobicContact CD1-CG 3.67Å; L425-F435 HydrophobicContact CD1-CZ 4.42Å; L425-F435 HydrophobicContact CD2-CD1 3.96Å; L425-F435 HydrophobicContact CD2-CE1 3.6Å; L425-F435 HydrophobicContact CD2-CZ 4.1Å; L425-F435 HydrophobicContact CG-CD1 3.61Å; L425-F435 HydrophobicContact CG-CE1 3.83Å; L425-F435 HydrophobicContact CG-CG 4.18Å |
| 426 | L | 98 | Very high | 96.6 | Very high | 31 Ų | 31 | 27.5 Ų | 27.5 | 16% | 0.162 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -97.7 | -21.6 | -167.2 | -57.2 | 178.9 | 0 | 0 | 0 | 113.9 | L360 S424 Q432 T433 F435 A436 L439 | L360-L426 HydrophobicContact CD1-CD1 4.33Å; S424-L426 PolarHBondContact O-N 3.3Å; S424-L426 PolarHBondContact OG-N 2.96Å; L426-Q432 WeakPolarHBondContact O-CA 3.42Å; L426-T433 PolarHBondContact O-N 3.32Å; L426-T433 PolarHBondContact O-OG1 3.4Å; L426-F435 HydrophobicContact CD2-CD1 4.15Å; L426-F435 HydrophobicContact CD2-CE1 4.43Å; L426-A436 HydrophobicContact CB-CB 4.24Å; L426-A436 HydrophobicContact CD2-CB 4.19Å; L426-A436 WeakPolarHBondContact O-CB 3.44Å; L426-L439 HydrophobicContact CD2-CD1 4.33Å |
| 427 | R | 97.6 | Very high | 96.7 | Very high | 46 Ų | 46 | 28.7 Ų | 28.7 | 17% | 0.174 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 166.4 | -174.6 | 63 | -172.8 | 70.9 | -132.5 | 4.4 | 114.6 | K98 M415 S424 G429 T431 | K98-R427 PolarHBondContact NZ-O 3.43Å; M415-R427 HydrophobicContact CE-CG 4.49Å; S424-R427 PolarHBondContact OG-N 2.9Å; R427-G429 WeakPolarHBondContact CD-O 3.36Å; R427-T431 CarbonylContact C-O 3.55Å; R427-T431 WeakPolarHBondContact CA-O 3.27Å; R427-T431 VanDerWaalsContact CB-O 3.29Å; R427-T431 WeakPolarHBondContact CB-O 3.4Å |
| 428 | S | 96.8 | Very high | 96.7 | Very high | 13 Ų | 13 | 25.8 Ų | 25.8 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 115.7 | 157.2 | 177.5 | 0 | 0 | 0 | 0 | 107.4 | D416 Y430 T431 | D416-S428 WeakPolarHBondContact OD1-CA 3.4Å; D416-S428 WeakPolarHBondContact OD2-CA 3.36Å; D416-S428 VanDerWaalsContact OD2-CB 3.29Å; D416-S428 WeakPolarHBondContact OD2-CB 3.4Å; D416-S428 PolarHBondContact OD2-OG 2.89Å; S428-Y430 PolarHBondContact O-N 3Å; S428-T431 PolarHBondContact N-O 3.09Å; S428-T431 PolarHBondContact O-N 3.03Å |
| 429 | G | 94 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | -130.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | M415 D416 R427 T431 | M415-G429 VanDerWaalsContact CE-O 3.26Å; M415-G429 WeakPolarHBondContact CE-O 3.44Å; D416-G429 PolarHBondContact OD1-N 2.96Å; D416-G429 VanDerWaalsContact OD1-N 3.08Å; R427-G429 WeakPolarHBondContact CD-O 3.36Å; G429-T431 VanDerWaalsContact C-N 3.34Å |
| 430 | Y | 90.1 | Very high | 96.7 | Very high | 120 Ų | 120 | 27 Ų | 27 | 47% | 0.471 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -10.9 | 175.2 | 60.4 | -96.3 | 0 | 0 | 0 | 113.9 | I408 S428 | I408-Y430 HydrophobicContact CG2-CE1 3.98Å; S428-Y430 PolarHBondContact O-N 3Å |
| 431 | T | 95.1 | Very high | 96.7 | Very high | 41 Ų | 41 | 34 Ų | 34 | 25% | 0.252 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 128 | -173.5 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | D100 L106 R427 S428 G429 | D100-T431 HydrophobicContact CB-CG2 4.08Å; L106-T431 HydrophobicContact CD1-CG2 4.29Å; L106-T431 HydrophobicContact CD2-CG2 3.63Å; R427-T431 CarbonylContact C-O 3.55Å; R427-T431 WeakPolarHBondContact CA-O 3.27Å; R427-T431 VanDerWaalsContact CB-O 3.29Å; R427-T431 WeakPolarHBondContact CB-O 3.4Å; S428-T431 PolarHBondContact N-O 3.09Å; S428-T431 PolarHBondContact O-N 3.03Å; G429-T431 VanDerWaalsContact C-N 3.34Å |
| 432 | Q | 97.8 | Very high | 96.7 | Very high | 86 Ų | 86 | 32.4 Ų | 32.4 | 40% | 0.402 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 145.4 | 178.2 | -69 | -177.8 | -26.8 | 0 | 0 | 111.9 | D100 L426 A436 | D100-Q432 WeakPolarHBondContact CB-O 3.46Å; L426-Q432 WeakPolarHBondContact O-CA 3.42Å; Q432-A436 HydrophobicContact CB-CB 4.21Å |
| 433 | T | 98.3 | Very high | 96.8 | Very high | 6 Ų | 6 | 32.3 Ų | 32.3 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | P | Polyproline II helix | trans | -75.5 | 163.9 | 173.5 | 59.4 | 0 | 0 | 0 | 0 | 111.9 | K98 V99 L106 L425 L426 F435 A436 S437 | K98-T433 HydrophobicContact CD-CG2 4.29Å; K98-T433 HydrophobicContact CG-CG2 4.1Å; V99-T433 CarbonylContact O-C 3.46Å; V99-T433 WeakPolarHBondContact O-CA 3.44Å; L106-T433 HydrophobicContact CD1-CG2 4.35Å; L425-T433 WeakPolarHBondContact O-CG2 3.36Å; L425-T433 PolarHBondContact O-OG1 3.46Å; L426-T433 PolarHBondContact O-N 3.32Å; L426-T433 PolarHBondContact O-OG1 3.4Å; T433-F435 PolarHBondContact O-N 3.27Å; T433-A436 PolarHBondContact O-N 3.34Å; T433-A436 PolarHBondContact OG1-N 3.26Å; T433-A436 VanDerWaalsContact OG1-N 3.12Å; T433-S437 PolarHBondContact O-N 3.01Å |
| 434 | L | 96.9 | Very high | 96.8 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -52.5 | -43.1 | 166.8 | 177.4 | 61.2 | 0 | 0 | 0 | 111.4 | V99 M139 S437 Q438 | V99-L434 HydrophobicContact CG2-CB 4.16Å; V99-L434 HydrophobicContact CG2-CD2 4.22Å; V99-L434 PolarHBondContact O-N 3.04Å; M139-L434 HydrophobicContact CE-CD2 4.23Å; M139-L434 HydrophobicContact SD-CD2 3.95Å; L434-S437 PolarHBondContact O-N 3.42Å; L434-Q438 HydrophobicContact CD1-CG 4.23Å; L434-Q438 HydrophobicContact CG-CG 4.49Å; L434-Q438 WeakPolarHBondContact O-CG 3.34Å; L434-Q438 PolarHBondContact O-N 3.48Å |
| 435 | F | 97.6 | Very high | 96.9 | Very high | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.018 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.2 | -47.8 | 178.6 | -173.7 | -86 | 0 | 0 | 0 | 111.6 | I338 L355 V357 L425 L426 T433 S437 Q438 L439 | I338-F435 HydrophobicContact CB-CE2 3.97Å; I338-F435 HydrophobicContact CG2-CD2 4.08Å; I338-F435 HydrophobicContact CG2-CE2 3.77Å; L355-F435 HydrophobicContact CD2-CZ 4.38Å; V357-F435 HydrophobicContact CG1-CE1 4.5Å; L425-F435 HydrophobicContact CD1-CB 4.14Å; L425-F435 HydrophobicContact CD1-CD1 3.64Å; L425-F435 HydrophobicContact CD1-CD2 4.09Å; L425-F435 HydrophobicContact CD1-CE1 4.04Å; L425-F435 HydrophobicContact CD1-CE2 4.44Å; L425-F435 HydrophobicContact CD1-CG 3.67Å; L425-F435 HydrophobicContact CD1-CZ 4.42Å; L425-F435 HydrophobicContact CD2-CD1 3.96Å; L425-F435 HydrophobicContact CD2-CE1 3.6Å; L425-F435 HydrophobicContact CD2-CZ 4.1Å; L425-F435 HydrophobicContact CG-CD1 3.61Å; L425-F435 HydrophobicContact CG-CE1 3.83Å; L425-F435 HydrophobicContact CG-CG 4.18Å; L426-F435 HydrophobicContact CD2-CD1 4.15Å; L426-F435 HydrophobicContact CD2-CE1 4.43Å; T433-F435 PolarHBondContact O-N 3.27Å; F435-S437 VanDerWaalsContact C-N 3.34Å; F435-S437 PolarHBondContact O-N 2.94Å; F435-Q438 PolarHBondContact O-N 3.01Å; F435-L439 HydrophobicContact CE1-CD1 4.02Å; F435-L439 WeakPolarHBondContact O-CB 3.42Å; F435-L439 PolarHBondContact O-N 2.91Å |
| 436 | A | 97.9 | Very high | 96.9 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 5% | 0.05 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L426 Q432 T433 Q438 L439 I440 | L426-A436 HydrophobicContact CB-CB 4.24Å; L426-A436 HydrophobicContact CD2-CB 4.19Å; L426-A436 WeakPolarHBondContact O-CB 3.44Å; Q432-A436 HydrophobicContact CB-CB 4.21Å; T433-A436 PolarHBondContact O-N 3.34Å; T433-A436 PolarHBondContact OG1-N 3.26Å; T433-A436 VanDerWaalsContact OG1-N 3.12Å; A436-Q438 PolarHBondContact O-N 2.93Å; A436-L439 PolarHBondContact O-N 3.36Å; A436-I440 VanDerWaalsContact O-CG1 3.32Å; A436-I440 WeakPolarHBondContact O-CG1 3.41Å; A436-I440 PolarHBondContact O-N 3.41Å |
| 437 | S | 97.2 | Very high | 96.9 | Very high | 35 Ų | 35 | 32.8 Ų | 32.8 | 25% | 0.245 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.8 | -41.5 | 177.1 | -176 | 0 | 0 | 0 | 0 | 112.2 | S101 T433 L434 F435 R441 | S101-S437 WeakPolarHBondContact CB-OG 3.49Å; T433-S437 PolarHBondContact O-N 3.01Å; L434-S437 PolarHBondContact O-N 3.42Å; F435-S437 VanDerWaalsContact C-N 3.34Å; F435-S437 PolarHBondContact O-N 2.94Å; S437-R441 WeakPolarHBondContact O-CB 3.38Å; S437-R441 PolarHBondContact O-N 3.29Å |
| 438 | Q | 96.4 | Very high | 96.8 | Very high | 17 Ų | 17 | 31.1 Ų | 31.1 | 8% | 0.079 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.5 | -42.6 | 175.5 | -71.7 | -179.4 | -11.6 | 0 | 0 | 112 | I338 L434 F435 A436 R441 Y442 | I338-Q438 HydrophobicContact CD1-CB 4.24Å; I338-Q438 HydrophobicContact CG1-CB 3.83Å; L434-Q438 HydrophobicContact CD1-CG 4.23Å; L434-Q438 HydrophobicContact CG-CG 4.49Å; L434-Q438 WeakPolarHBondContact O-CG 3.34Å; L434-Q438 PolarHBondContact O-N 3.48Å; F435-Q438 PolarHBondContact O-N 3.01Å; A436-Q438 PolarHBondContact O-N 2.93Å; Q438-R441 PolarHBondContact O-N 2.98Å; Q438-Y442 HydrophobicContact CB-CD2 4.08Å; Q438-Y442 HydrophobicContact CB-CE2 4.34Å; Q438-Y442 HydrophobicContact CG-CD2 4.43Å; Q438-Y442 HydrophobicContact CG-CE2 4.2Å; Q438-Y442 WeakPolarHBondContact O-CB 3.36Å; Q438-Y442 VanDerWaalsContact O-CD2 3.23Å; Q438-Y442 WeakPolarHBondContact O-CD2 3.44Å; Q438-Y442 PolarHBondContact O-N 3.42Å |
| 439 | L | 97.6 | Very high | 96.9 | Very high | 7 Ų | 7 | 32.1 Ų | 32.1 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.6 | -54.1 | 175.2 | -178.7 | 161.1 | 0 | 0 | 0 | 110.3 | N25 I338 L355 V357 L426 F435 A436 R441 Y442 A443 Y446 | N25-L439 PolarHBondContact ND2-O 3.18Å; I338-L439 HydrophobicContact CD1-CB 4.47Å; L355-L439 HydrophobicContact CD2-CB 4.2Å; L355-L439 HydrophobicContact CD2-CD1 3.74Å; L355-L439 HydrophobicContact CD2-CG 3.72Å; V357-L439 HydrophobicContact CG2-CD1 3.97Å; L426-L439 HydrophobicContact CD2-CD1 4.33Å; F435-L439 HydrophobicContact CE1-CD1 4.02Å; F435-L439 WeakPolarHBondContact O-CB 3.42Å; F435-L439 PolarHBondContact O-N 2.91Å; A436-L439 PolarHBondContact O-N 3.36Å; L439-R441 VanDerWaalsContact C-N 3.27Å; L439-R441 PolarHBondContact O-N 3.18Å; L439-Y442 PolarHBondContact O-N 2.72Å; L439-A443 VanDerWaalsContact O-CB 3.32Å; L439-A443 WeakPolarHBondContact O-CB 3.41Å; L439-A443 PolarHBondContact O-N 3Å; L439-Y446 HydrophobicContact CD1-CD2 4.18Å; L439-Y446 HydrophobicContact CD1-CG 4.37Å; L439-Y446 HydrophobicContact CD2-CD1 3.68Å; L439-Y446 HydrophobicContact CD2-CD2 4.23Å; L439-Y446 HydrophobicContact CD2-CE1 3.78Å; L439-Y446 HydrophobicContact CD2-CE2 4.35Å; L439-Y446 HydrophobicContact CD2-CG 3.91Å; L439-Y446 HydrophobicContact CG-CG 4.39Å |
| 440 | I | 96.8 | Very high | 97 | Very high | 72 Ų | 72 | 32.2 Ų | 32.2 | 37% | 0.369 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 178.9 | -67.3 | 166.3 | 0 | 0 | 0 | 110.5 | R26 A436 | R26-I440 VanDerWaalsContact CZ-O 3.26Å; R26-I440 PolarHBondContact NH1-O 2.88Å; R26-I440 PolarHBondContact NH2-O 2.81Å; A436-I440 VanDerWaalsContact O-CG1 3.32Å; A436-I440 WeakPolarHBondContact O-CG1 3.41Å; A436-I440 PolarHBondContact O-N 3.41Å |
| 441 | R | 96.2 | Very high | 97.3 | Very high | 160 Ų | 160 | 26.9 Ų | 26.9 | 60% | 0.604 | 13% | 0.13 | S | C | * | . | H | α-helix | trans | -76 | -34.3 | -174 | -169.8 | 171.9 | -170.9 | 174.7 | 5.2 | 114.4 | R26 S437 Q438 L439 | R26-R441 VanDerWaalsContact CZ-O 3.24Å; R26-R441 PolarHBondContact NH1-O 3.21Å; R26-R441 VanDerWaalsContact NH1-O 3.08Å; R26-R441 PolarHBondContact NH2-O 3Å; S437-R441 WeakPolarHBondContact O-CB 3.38Å; S437-R441 PolarHBondContact O-N 3.29Å; Q438-R441 PolarHBondContact O-N 2.98Å; L439-R441 VanDerWaalsContact C-N 3.27Å; L439-R441 PolarHBondContact O-N 3.18Å |
| 442 | Y | 97.1 | Very high | 97.4 | Very high | 23 Ų | 23 | 25.2 Ų | 25.2 | 9% | 0.09 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -114.8 | -33.7 | -169.1 | -57.3 | -59.5 | 0 | 0 | 0 | 114.4 | R26 L343 K347 T353 Q438 L439 D444 | R26-Y442 VanDerWaalsContact NH2-C 3.3Å; L343-Y442 HydrophobicContact CB-CD2 4.12Å; L343-Y442 HydrophobicContact CB-CG 4.19Å; L343-Y442 HydrophobicContact CD1-CD2 3.73Å; L343-Y442 HydrophobicContact CD1-CE1 4.49Å; L343-Y442 HydrophobicContact CD1-CE2 3.35Å; L343-Y442 HydrophobicContact CD1-CG 4.43Å; L343-Y442 HydrophobicContact CG-CD1 4.25Å; L343-Y442 HydrophobicContact CG-CD2 3.9Å; L343-Y442 HydrophobicContact CG-CE1 4.21Å; L343-Y442 HydrophobicContact CG-CE2 3.85Å; L343-Y442 HydrophobicContact CG-CG 4.1Å; K347-Y442 HydrophobicContact CD-CE1 4.35Å; K347-Y442 VanDerWaalsContact CE-OH 3.23Å; K347-Y442 WeakPolarHBondContact CE-OH 3.33Å; K347-Y442 HydrophobicContact CG-CE1 4.29Å; K347-Y442 PolarHBondContact NZ-OH 3.11Å; K347-Y442 VanDerWaalsContact NZ-OH 3.1Å; T353-Y442 PolarHBondContact OG1-O 3.15Å; Q438-Y442 HydrophobicContact CB-CD2 4.08Å; Q438-Y442 HydrophobicContact CB-CE2 4.34Å; Q438-Y442 HydrophobicContact CG-CD2 4.43Å; Q438-Y442 HydrophobicContact CG-CE2 4.2Å; Q438-Y442 WeakPolarHBondContact O-CB 3.36Å; Q438-Y442 VanDerWaalsContact O-CD2 3.23Å; Q438-Y442 WeakPolarHBondContact O-CD2 3.44Å; Q438-Y442 PolarHBondContact O-N 3.42Å; L439-Y442 PolarHBondContact O-N 2.72Å; Y442-D444 PolarHBondContact O-N 3Å |
| 443 | A | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | trans | -83.1 | 111.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N25 R26 I342 T353 L355 L439 | N25-A443 WeakPolarHBondContact CB-O 3.42Å; N25-A443 PolarHBondContact ND2-O 3.33Å; R26-A443 PolarHBondContact NH2-O 2.82Å; I342-A443 HydrophobicContact CG2-CB 4.03Å; T353-A443 WeakPolarHBondContact OG1-CA 3.36Å; L355-A443 HydrophobicContact CB-CB 3.63Å; L355-A443 HydrophobicContact CD2-CB 4.34Å; L439-A443 VanDerWaalsContact O-CB 3.32Å; L439-A443 WeakPolarHBondContact O-CB 3.41Å; L439-A443 PolarHBondContact O-N 3Å | ||
| 444 | D | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -59.5 | -46.9 | 172.6 | -63.5 | -40.4 | 0 | 0 | 0 | 111.9 | N25 R26 L28 K346 K352 T353 Y442 | N25-D444 PolarHBondContact N-O 3.46Å; R26-D444 HydrophobicContact CB-CB 4.33Å; R26-D444 VanDerWaalsContact CD-OD1 3.26Å; R26-D444 WeakPolarHBondContact CD-OD1 3.35Å; R26-D444 IonicContact CZ-OD1 2.69Å; R26-D444 PolarHBondContact N-O 2.85Å; R26-D444 IonicContact NE-OD1 2.75Å; R26-D444 PolarHBondContact NE-OD1 3.24Å; L28-D444 HydrophobicContact CD1-CB 4.34Å; K346-D444 IonicContact NZ-OD1 2.7Å; K346-D444 PolarHBondContact NZ-OD1 3.41Å; K346-D444 IonicContact NZ-OD2 2.9Å; K346-D444 PolarHBondContact NZ-OD2 2.97Å; K352-D444 WeakPolarHBondContact CA-OD2 3.43Å; K352-D444 WeakPolarHBondContact CD-OD2 3.45Å; T353-D444 PolarHBondContact N-OD2 2.79Å; T353-D444 WeakPolarHBondContact O-CB 3.46Å; T353-D444 PolarHBondContact O-N 3.09Å; T353-D444 PolarHBondContact OG1-N 3.18Å; Y442-D444 PolarHBondContact O-N 3Å |
| 445 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 154 | 175.2 | -56.7 | 177.9 | 0 | 0 | 0 | 109.8 | V22 F23 V24 L28 T353 F354 L355 F462 | V22-L445 HydrophobicContact CG1-CB 4Å; V22-L445 HydrophobicContact CG1-CD1 4.24Å; V22-L445 HydrophobicContact CG1-CD2 4.23Å; V22-L445 HydrophobicContact CG1-CG 4.39Å; F23-L445 WeakPolarHBondContact O-CA 3.27Å; V24-L445 HydrophobicContact CB-CD2 4.22Å; V24-L445 HydrophobicContact CG1-CD2 3.93Å; V24-L445 HydrophobicContact CG2-CD2 3.94Å; L28-L445 HydrophobicContact CD1-CD1 4.1Å; L28-L445 HydrophobicContact CD1-CG 4.3Å; L28-L445 HydrophobicContact CD2-CD1 4.28Å; T353-L445 PolarHBondContact O-N 3.38Å; F354-L445 CarbonylContact C-O 3.54Å; F354-L445 WeakPolarHBondContact CA-O 3.44Å; F354-L445 HydrophobicContact CB-CB 4.44Å; F354-L445 HydrophobicContact CD2-CB 3.71Å; F354-L445 HydrophobicContact CD2-CD1 4.09Å; F354-L445 HydrophobicContact CE2-CB 4.31Å; F354-L445 HydrophobicContact CG-CB 4.23Å; L355-L445 PolarHBondContact N-O 2.89Å; L445-F462 HydrophobicContact CD1-CD2 3.76Å; L445-F462 HydrophobicContact CD1-CE2 3.84Å; L445-F462 HydrophobicContact CD1-CG 4.37Å; L445-F462 HydrophobicContact CD2-CB 3.82Å; L445-F462 HydrophobicContact CD2-CD1 4.18Å; L445-F462 HydrophobicContact CD2-CD2 3.94Å; L445-F462 HydrophobicContact CD2-CG 3.71Å |
| 446 | Y | 98.5 | Very high | 97.3 | Very high | 44 Ų | 44 | 26.1 Ų | 26.1 | 17% | 0.173 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 155.9 | 169.2 | 70.9 | -80.2 | 0 | 0 | 0 | 111.9 | F23 N25 L355 L360 L439 | F23-Y446 HydrophobicContact CB-CD1 3.71Å; F23-Y446 HydrophobicContact CB-CD2 4.1Å; F23-Y446 HydrophobicContact CB-CE1 3.25Å; F23-Y446 HydrophobicContact CB-CE2 3.67Å; F23-Y446 HydrophobicContact CB-CG 4.11Å; F23-Y446 HydrophobicContact CD2-CD2 4.19Å; F23-Y446 AromaticContact CD2-CE2 3.77Å; F23-Y446 HydrophobicContact CD2-CE2 3.77Å; F23-Y446 HydrophobicContact CG-CD2 4.48Å; F23-Y446 HydrophobicContact CG-CE1 4.24Å; F23-Y446 AromaticContact CG-CE2 3.84Å; F23-Y446 HydrophobicContact CG-CE2 3.84Å; F23-Y446 AromaticContact CG-CZ 3.69Å; F23-Y446 PolarHBondContact N-O 3.34Å; F23-Y446 PolarHBondContact O-N 3.04Å; N25-Y446 WeakPolarHBondContact ND2-CD1 2.92Å; L355-Y446 WeakPolarHBondContact O-CA 3.42Å; L355-Y446 WeakPolarHBondContact O-CB 3.2Å; L360-Y446 HydrophobicContact CD2-CD2 3.89Å; L360-Y446 HydrophobicContact CD2-CE2 3.84Å; L439-Y446 HydrophobicContact CD1-CD2 4.18Å; L439-Y446 HydrophobicContact CD1-CG 4.37Å; L439-Y446 HydrophobicContact CD2-CD1 3.68Å; L439-Y446 HydrophobicContact CD2-CD2 4.23Å; L439-Y446 HydrophobicContact CD2-CE1 3.78Å; L439-Y446 HydrophobicContact CD2-CE2 4.35Å; L439-Y446 HydrophobicContact CD2-CG 3.91Å; L439-Y446 HydrophobicContact CG-CG 4.39Å |
| 447 | S | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.4 | 171.4 | 175.9 | -163 | 0 | 0 | 0 | 0 | 111 | K21 L355 V357 T449 N452 | K21-S447 PolarHBondContact O-OG 3.33Å; L355-S447 PolarHBondContact O-N 3.45Å; L355-S447 VanDerWaalsContact O-N 3.09Å; V357-S447 PolarHBondContact N-O 3.42Å; S447-T449 VanDerWaalsContact C-N 3.26Å; S447-T449 PolarHBondContact O-N 3.39Å; S447-N452 PolarHBondContact OG-ND2 3.42Å |
| 448 | S | 96.6 | Very high | 97.1 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 7% | 0.07 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -66.4 | -29.8 | 173.3 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | V357 T361 | V357-S448 WeakPolarHBondContact O-CA 3.33Å; T361-S448 VanDerWaalsContact OG1-CB 3.27Å; T361-S448 WeakPolarHBondContact OG1-CB 3.14Å |
| 449 | T | 97.1 | Very high | 97 | Very high | 35 Ų | 35 | 34 Ų | 34 | 22% | 0.215 | 16% | 0.164 | C | C | . | . | trans | -146.8 | 149.1 | 178.9 | 176.7 | 0 | 0 | 0 | 0 | 111 | S447 I451 N452 | S447-T449 VanDerWaalsContact C-N 3.26Å; S447-T449 PolarHBondContact O-N 3.39Å; T449-I451 HydrophobicContact CG2-CB 4Å; T449-I451 PolarHBondContact O-N 3.14Å; T449-I451 WeakPolarHBondContact OG1-CG1 3.1Å; T449-I451 PolarHBondContact OG1-N 2.9Å; T449-N452 PolarHBondContact O-N 3.01Å | ||
| 450 | C | 96.8 | Very high | 97 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -65.4 | -21 | 171.8 | 64.8 | 0 | 0 | 0 | 0 | 112.6 | F38 T43 I334 V356 N452 L453 | F38-C450 HydrophobicContact CE1-CB 4.35Å; T43-C450 PolarHBondContact O-SG 3.47Å; I334-C450 HydrophobicContact CG2-CB 3.69Å; V356-C450 HydrophobicContact CG2-CB 4.12Å; C450-N452 PolarHBondContact O-N 3.09Å; C450-N452 VanDerWaalsContact O-N 3.16Å; C450-L453 WeakPolarHBondContact O-CB 3.38Å; C450-L453 PolarHBondContact O-N 2.63Å; C450-L453 VanDerWaalsContact O-N 3.16Å |
| 451 | I | 97.2 | Very high | 97 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -60.5 | -25.5 | 178.8 | -61.5 | -58.5 | 0 | 0 | 0 | 112.6 | N218 I219 L222 T449 L453 L454 | N218-I451 HydrophobicContact CB-CD1 4.48Å; N218-I451 HydrophobicContact CB-CG2 3.83Å; I219-I451 HydrophobicContact CB-CD1 4.13Å; I219-I451 HydrophobicContact CG1-CD1 3.49Å; I219-I451 VanDerWaalsContact CG1-CD1 3.49Å; I219-I451 HydrophobicContact CG1-CG1 4.26Å; L222-I451 HydrophobicContact CD2-CD1 4.06Å; T449-I451 HydrophobicContact CG2-CB 4Å; T449-I451 PolarHBondContact O-N 3.14Å; T449-I451 WeakPolarHBondContact OG1-CG1 3.1Å; T449-I451 PolarHBondContact OG1-N 2.9Å; I451-L453 PolarHBondContact O-N 3.01Å; I451-L454 WeakPolarHBondContact O-CB 3.5Å; I451-L454 PolarHBondContact O-N 2.87Å |
| 452 | N | 97.4 | Very high | 97.1 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -62.8 | -18.3 | 179.4 | -72.6 | -15.2 | 0 | 0 | 0 | 113.5 | E19 K20 V22 S447 T449 C450 L454 H455 Y456 | E19-N452 PolarHBondContact O-ND2 2.93Å; E19-N452 PolarHBondContact O-OD1 2.72Å; K20-N452 WeakPolarHBondContact CA-OD1 3.27Å; V22-N452 HydrophobicContact CG2-CB 3.86Å; S447-N452 PolarHBondContact OG-ND2 3.42Å; T449-N452 PolarHBondContact O-N 3.01Å; C450-N452 PolarHBondContact O-N 3.09Å; C450-N452 VanDerWaalsContact O-N 3.16Å; N452-L454 PolarHBondContact O-N 3.07Å; N452-H455 PolarHBondContact O-N 3.33Å; N452-Y456 VanDerWaalsContact O-CD2 3.25Å; N452-Y456 WeakPolarHBondContact O-CD2 3.47Å; N452-Y456 WeakPolarHBondContact O-CE2 3.21Å |
| 453 | L | 97.1 | Very high | 97 | Very high | 4 Ų | 4 | 34.9 Ų | 34.9 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -59.2 | -27.7 | 168.9 | -71.8 | 171.7 | 0 | 0 | 0 | 112.7 | V22 L222 F354 C450 I451 H455 Y456 F462 | V22-L453 HydrophobicContact CG2-CD2 4.3Å; L222-L453 HydrophobicContact CD1-CB 4.09Å; F354-L453 HydrophobicContact CD2-CD1 4.18Å; F354-L453 HydrophobicContact CD2-CD2 4.1Å; F354-L453 HydrophobicContact CD2-CG 4.25Å; F354-L453 HydrophobicContact CE2-CD1 4.09Å; F354-L453 HydrophobicContact CE2-CD2 3.73Å; F354-L453 HydrophobicContact CE2-CG 3.73Å; F354-L453 HydrophobicContact CZ-CG 4.41Å; C450-L453 WeakPolarHBondContact O-CB 3.38Å; C450-L453 PolarHBondContact O-N 2.63Å; C450-L453 VanDerWaalsContact O-N 3.16Å; I451-L453 PolarHBondContact O-N 3.01Å; L453-H455 PolarHBondContact O-N 3.42Å; L453-H455 VanDerWaalsContact O-N 3.1Å; L453-Y456 PolarHBondContact O-N 3.38Å; L453-Y456 VanDerWaalsContact O-N 3.11Å; L453-F462 HydrophobicContact CD2-CZ 4.48Å |
| 454 | L | 96.3 | Very high | 96.9 | Very high | 27 Ų | 27 | 35.9 Ų | 35.9 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -62 | -20.1 | 179.1 | -169.8 | 63 | 0 | 0 | 0 | 113.1 | N218 V221 L222 R225 I451 N452 Y456 | N218-L454 HydrophobicContact CB-CD2 3.96Å; V221-L454 HydrophobicContact CG1-CD1 4.15Å; V221-L454 HydrophobicContact CG1-CD2 4.47Å; L222-L454 HydrophobicContact CD1-CB 4.35Å; L222-L454 HydrophobicContact CD1-CD1 4.46Å; R225-L454 VanDerWaalsContact NH1-CD1 3.28Å; I451-L454 WeakPolarHBondContact O-CB 3.5Å; I451-L454 PolarHBondContact O-N 2.87Å; N452-L454 PolarHBondContact O-N 3.07Å; L454-Y456 VanDerWaalsContact C-N 3.3Å |
| 455 | H | 96.5 | Very high | 96.5 | Very high | 72 Ų | 72 | 41 Ų | 41 | 33% | 0.333 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -88.6 | 6.7 | -180 | -56.5 | -50.8 | 0 | 0 | 0 | 113.8 | R16 N452 L453 | R16-H455 PolarHBondContact NH1-O 3.3Å; R16-H455 PolarHBondContact NH2-O 3.01Å; N452-H455 PolarHBondContact O-N 3.33Å; L453-H455 PolarHBondContact O-N 3.42Å; L453-H455 VanDerWaalsContact O-N 3.1Å |
| 456 | Y | 96.9 | Very high | 96 | Very high | 19 Ų | 19 | 46.5 Ų | 46.5 | 8% | 0.075 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -127.5 | 140.3 | -180 | -61.4 | -95.9 | 0 | 0 | 0 | 109.7 | V22 N452 L453 L454 Y460 F462 | V22-Y456 HydrophobicContact CB-CE2 3.94Å; V22-Y456 HydrophobicContact CG2-CD2 4.17Å; V22-Y456 HydrophobicContact CG2-CE2 3.71Å; V22-Y456 PolarHBondContact N-OH 3.48Å; V22-Y456 VanDerWaalsContact N-OH 3.11Å; N452-Y456 VanDerWaalsContact O-CD2 3.25Å; N452-Y456 WeakPolarHBondContact O-CD2 3.47Å; N452-Y456 WeakPolarHBondContact O-CE2 3.21Å; L453-Y456 PolarHBondContact O-N 3.38Å; L453-Y456 VanDerWaalsContact O-N 3.11Å; L454-Y456 VanDerWaalsContact C-N 3.3Å; Y456-Y460 AromaticContact CD1-CD1 3.59Å; Y456-Y460 HydrophobicContact CD1-CD1 3.59Å; Y456-Y460 AromaticContact CD1-CD2 3.98Å; Y456-Y460 HydrophobicContact CD1-CD2 3.98Å; Y456-Y460 AromaticContact CD1-CE1 3.52Å; Y456-Y460 HydrophobicContact CD1-CE1 3.52Å; Y456-Y460 AromaticContact CD1-CE2 3.92Å; Y456-Y460 HydrophobicContact CD1-CE2 3.92Å; Y456-Y460 AromaticContact CD1-CG 3.83Å; Y456-Y460 HydrophobicContact CD1-CG 3.83Å; Y456-Y460 AromaticContact CD1-CZ 3.68Å; Y456-Y460 HydrophobicContact CE1-CD1 4.26Å; Y456-Y460 AromaticContact CE1-CE1 3.72Å; Y456-Y460 HydrophobicContact CE1-CE1 3.72Å; Y456-Y460 HydrophobicContact CE1-CE2 4.38Å; Y456-Y460 AromaticContact CE1-CZ 3.8Å; Y456-Y460 HydrophobicContact CG-CD1 4.42Å; Y456-F462 AromaticContact CD1-CE1 3.76Å; Y456-F462 HydrophobicContact CD1-CE1 3.76Å; Y456-F462 AromaticContact CD1-CZ 3.87Å; Y456-F462 HydrophobicContact CD1-CZ 3.87Å; Y456-F462 HydrophobicContact CD2-CE1 4.46Å; Y456-F462 HydrophobicContact CD2-CZ 4.16Å; Y456-F462 AromaticContact CE1-CE1 3.63Å; Y456-F462 HydrophobicContact CE1-CE1 3.63Å; Y456-F462 HydrophobicContact CE1-CZ 4.16Å; Y456-F462 HydrophobicContact CE2-CE1 4.39Å; Y456-F462 HydrophobicContact CE2-CZ 4.48Å; Y456-F462 HydrophobicContact CG-CE1 4.17Å; Y456-F462 AromaticContact CG-CZ 3.85Å; Y456-F462 HydrophobicContact CG-CZ 3.85Å; Y456-F462 AromaticContact CZ-CE1 3.96Å |
| 457 | P | 96.4 | Very high | 95.6 | Very high | 68 Ų | 68 | 51 Ų | 51 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | trans | -70.7 | 153.2 | 172.5 | 32 | -35.8 | 0 | 0 | 0 | 110.5 | N459 Y460 | P457-N459 WeakPolarHBondContact CB-OD1 3.47Å; P457-N459 WeakPolarHBondContact CG-OD1 3.49Å; P457-N459 PolarHBondContact O-N 3.3Å; P457-N459 VanDerWaalsContact O-N 3.12Å; P457-Y460 HydrophobicContact CG-CD2 4.22Å; P457-Y460 WeakPolarHBondContact O-CB 3.21Å; P457-Y460 PolarHBondContact O-N 2.98Å | ||
| 458 | F | 94.4 | Very high | 95.3 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 21% | 0.211 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -3.5 | -178.8 | -66.4 | -63.1 | 0 | 0 | 0 | 115 | L30 E31 R225 I226 V229 | L30-F458 CarbonylContact C-O 3.32Å; L30-F458 WeakPolarHBondContact CB-O 3.31Å; E31-F458 WeakPolarHBondContact CA-O 3.5Å; E31-F458 PolarHBondContact N-O 3.32Å; R225-F458 HydrophobicContact CB-CE2 3.81Å; R225-F458 HydrophobicContact CB-CZ 4.01Å; R225-F458 VanDerWaalsContact O-CE2 3.26Å; R225-F458 WeakPolarHBondContact O-CE2 3.49Å; I226-F458 HydrophobicContact CB-CZ 4.26Å; I226-F458 HydrophobicContact CG1-CE1 3.6Å; I226-F458 HydrophobicContact CG1-CZ 3.54Å; V229-F458 HydrophobicContact CG1-CD2 4.23Å; V229-F458 HydrophobicContact CG2-CB 4.16Å; V229-F458 HydrophobicContact CG2-CD1 4.27Å; V229-F458 HydrophobicContact CG2-CD2 3.7Å; V229-F458 HydrophobicContact CG2-CE2 4.1Å; V229-F458 HydrophobicContact CG2-CG 3.8Å |
| 459 | N | 95.2 | Very high | 95.1 | Very high | 106 Ų | 106 | 59.1 Ų | 59.1 | 57% | 0.567 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 13.4 | 167 | 67 | -12 | 0 | 0 | 0 | 112.8 | P457 | P457-N459 WeakPolarHBondContact CB-OD1 3.47Å; P457-N459 WeakPolarHBondContact CG-OD1 3.49Å; P457-N459 PolarHBondContact O-N 3.3Å; P457-N459 VanDerWaalsContact O-N 3.12Å |
| 460 | Y | 97.4 | Very high | 94.8 | Very high | 58 Ų | 58 | 62.5 Ų | 62.5 | 23% | 0.227 | 35% | 0.348 | C | S | . | . | trans | -67.8 | 139.1 | -179.6 | -165.6 | -100.5 | 0 | 0 | 0 | 112 | M13 L30 Y456 P457 F462 | M13-Y460 VanDerWaalsContact CE-OH 3.29Å; M13-Y460 WeakPolarHBondContact CE-OH 3.37Å; L30-Y460 PolarHBondContact N-O 2.92Å; Y456-Y460 AromaticContact CD1-CD1 3.59Å; Y456-Y460 HydrophobicContact CD1-CD1 3.59Å; Y456-Y460 AromaticContact CD1-CD2 3.98Å; Y456-Y460 HydrophobicContact CD1-CD2 3.98Å; Y456-Y460 AromaticContact CD1-CE1 3.52Å; Y456-Y460 HydrophobicContact CD1-CE1 3.52Å; Y456-Y460 AromaticContact CD1-CE2 3.92Å; Y456-Y460 HydrophobicContact CD1-CE2 3.92Å; Y456-Y460 AromaticContact CD1-CG 3.83Å; Y456-Y460 HydrophobicContact CD1-CG 3.83Å; Y456-Y460 AromaticContact CD1-CZ 3.68Å; Y456-Y460 HydrophobicContact CE1-CD1 4.26Å; Y456-Y460 AromaticContact CE1-CE1 3.72Å; Y456-Y460 HydrophobicContact CE1-CE1 3.72Å; Y456-Y460 HydrophobicContact CE1-CE2 4.38Å; Y456-Y460 AromaticContact CE1-CZ 3.8Å; Y456-Y460 HydrophobicContact CG-CD1 4.42Å; P457-Y460 HydrophobicContact CG-CD2 4.22Å; P457-Y460 WeakPolarHBondContact O-CB 3.21Å; P457-Y460 PolarHBondContact O-N 2.98Å; Y460-F462 AromaticContact CD1-CD1 3.76Å; Y460-F462 HydrophobicContact CD1-CD1 3.76Å; Y460-F462 AromaticContact CD1-CD2 4Å; Y460-F462 HydrophobicContact CD1-CD2 4Å; Y460-F462 AromaticContact CD1-CE1 3.73Å; Y460-F462 HydrophobicContact CD1-CE1 3.73Å; Y460-F462 AromaticContact CD1-CE2 3.99Å; Y460-F462 HydrophobicContact CD1-CE2 3.99Å; Y460-F462 AromaticContact CD1-CG 3.89Å; Y460-F462 HydrophobicContact CD1-CG 3.89Å; Y460-F462 AromaticContact CD1-CZ 3.86Å; Y460-F462 HydrophobicContact CD1-CZ 3.86Å; Y460-F462 AromaticContact CE1-CD1 3.52Å; Y460-F462 HydrophobicContact CE1-CD1 3.52Å; Y460-F462 AromaticContact CE1-CE1 3.64Å; Y460-F462 HydrophobicContact CE1-CE1 3.64Å; Y460-F462 HydrophobicContact CE1-CG 4.01Å; Y460-F462 HydrophobicContact CE1-CZ 4.24Å | ||
| 461 | L | 97.1 | Very high | 94.6 | Very high | 80 Ų | 80 | 68.8 Ų | 68.8 | 42% | 0.419 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 106 | 170.8 | 175.9 | 63.9 | 0 | 0 | 0 | 109.3 | T29 M463 | T29-L461 HydrophobicContact CG2-CD1 4.46Å; T29-L461 VanDerWaalsContact OG1-CD1 3.25Å; T29-L461 WeakPolarHBondContact OG1-CD1 3.48Å; L461-M463 HydrophobicContact CD2-CG 3.84Å; L461-M463 HydrophobicContact CD2-SD 3.85Å; L461-M463 HydrophobicContact CG-CG 3.69Å; L461-M463 HydrophobicContact CG-SD 4.36Å |
| 462 | F | 97.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 72.6 Ų | 72.6 | 2% | 0.018 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 125.2 | 165.9 | -69.6 | -72.6 | 0 | 0 | 0 | 109 | V22 V24 S27 L28 L30 L445 L453 Y456 Y460 | V22-F462 HydrophobicContact CB-CE1 3.72Å; V22-F462 HydrophobicContact CB-CZ 3.96Å; V22-F462 HydrophobicContact CG1-CD1 4.38Å; V22-F462 HydrophobicContact CG1-CE1 3.75Å; V22-F462 HydrophobicContact CG1-CZ 3.86Å; V22-F462 HydrophobicContact CG2-CZ 4.41Å; V24-F462 HydrophobicContact CB-CB 4.48Å; V24-F462 HydrophobicContact CG1-CB 3.87Å; V24-F462 HydrophobicContact CG2-CB 3.72Å; V24-F462 HydrophobicContact CG2-CD1 3.51Å; V24-F462 HydrophobicContact CG2-CG 3.98Å; S27-F462 CarbonylContact C-O 3.58Å; S27-F462 WeakPolarHBondContact CA-O 3.37Å; S27-F462 WeakPolarHBondContact CB-O 3.31Å; L28-F462 HydrophobicContact CB-CB 4.47Å; L28-F462 HydrophobicContact CD2-CD2 4.41Å; L28-F462 PolarHBondContact N-O 2.98Å; L28-F462 WeakPolarHBondContact O-CB 3.39Å; L28-F462 PolarHBondContact O-N 3.21Å; L30-F462 HydrophobicContact CD1-CE2 3.81Å; L30-F462 HydrophobicContact CD2-CD2 4.49Å; L30-F462 HydrophobicContact CD2-CE2 4.04Å; L30-F462 HydrophobicContact CG-CD2 4.23Å; L30-F462 HydrophobicContact CG-CE2 3.82Å; L445-F462 HydrophobicContact CD1-CD2 3.76Å; L445-F462 HydrophobicContact CD1-CE2 3.84Å; L445-F462 HydrophobicContact CD1-CG 4.37Å; L445-F462 HydrophobicContact CD2-CB 3.82Å; L445-F462 HydrophobicContact CD2-CD1 4.18Å; L445-F462 HydrophobicContact CD2-CD2 3.94Å; L445-F462 HydrophobicContact CD2-CG 3.71Å; L453-F462 HydrophobicContact CD2-CZ 4.48Å; Y456-F462 AromaticContact CD1-CE1 3.76Å; Y456-F462 HydrophobicContact CD1-CE1 3.76Å; Y456-F462 AromaticContact CD1-CZ 3.87Å; Y456-F462 HydrophobicContact CD1-CZ 3.87Å; Y456-F462 HydrophobicContact CD2-CE1 4.46Å; Y456-F462 HydrophobicContact CD2-CZ 4.16Å; Y456-F462 AromaticContact CE1-CE1 3.63Å; Y456-F462 HydrophobicContact CE1-CE1 3.63Å; Y456-F462 HydrophobicContact CE1-CZ 4.16Å; Y456-F462 HydrophobicContact CE2-CE1 4.39Å; Y456-F462 HydrophobicContact CE2-CZ 4.48Å; Y456-F462 HydrophobicContact CG-CE1 4.17Å; Y456-F462 AromaticContact CG-CZ 3.85Å; Y456-F462 HydrophobicContact CG-CZ 3.85Å; Y456-F462 AromaticContact CZ-CE1 3.96Å; Y460-F462 AromaticContact CD1-CD1 3.76Å; Y460-F462 HydrophobicContact CD1-CD1 3.76Å; Y460-F462 AromaticContact CD1-CD2 4Å; Y460-F462 HydrophobicContact CD1-CD2 4Å; Y460-F462 AromaticContact CD1-CE1 3.73Å; Y460-F462 HydrophobicContact CD1-CE1 3.73Å; Y460-F462 AromaticContact CD1-CE2 3.99Å; Y460-F462 HydrophobicContact CD1-CE2 3.99Å; Y460-F462 AromaticContact CD1-CG 3.89Å; Y460-F462 HydrophobicContact CD1-CG 3.89Å; Y460-F462 AromaticContact CD1-CZ 3.86Å; Y460-F462 HydrophobicContact CD1-CZ 3.86Å; Y460-F462 AromaticContact CE1-CD1 3.52Å; Y460-F462 HydrophobicContact CE1-CD1 3.52Å; Y460-F462 AromaticContact CE1-CE1 3.64Å; Y460-F462 HydrophobicContact CE1-CE1 3.64Å; Y460-F462 HydrophobicContact CE1-CG 4.01Å; Y460-F462 HydrophobicContact CE1-CZ 4.24Å |
| 463 | M | 96.2 | Very high | 93.6 | Very high | 139 Ų | 139 | 74.1 Ų | 74.1 | 69% | 0.685 | 41% | 0.408 | S | S | * | . | trans | -116.2 | 127.5 | -179.6 | -63.7 | -163.5 | -64.7 | 0 | 0 | 110.9 | L461 | L461-M463 HydrophobicContact CD2-CG 3.84Å; L461-M463 HydrophobicContact CD2-SD 3.85Å; L461-M463 HydrophobicContact CG-CG 3.69Å; L461-M463 HydrophobicContact CG-SD 4.36Å | ||
| 464 | A | 94.4 | Very high | 92.6 | Very high | 22 Ų | 22 | 78.5 Ų | 78.5 | 18% | 0.182 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -100.9 | 146 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | V24 N25 S27 | V24-A464 HydrophobicContact CG1-CB 4.11Å; N25-A464 WeakPolarHBondContact O-CB 3.1Å; S27-A464 PolarHBondContact OG-N 2.87Å |
| 465 | P | 89.9 | Confident | 90.7 | Very high | 109 Ų | 109 | 81.6 Ų | 81.6 | 71% | 0.708 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -61.7 | 148.8 | 172.3 | 27.3 | -33.7 | 0 | 0 | 0 | 110.6 | ||
| 466 | P | 89.1 | Confident | 88.8 | Confident | 115 Ų | 115 | 84.1 Ų | 84.1 | 75% | 0.747 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 138.3 | 173.6 | 26.8 | -33 | 0 | 0 | 0 | 110.1 | ||
| 467 | V | 90.6 | Very high | 86.5 | Confident | 138 Ų | 138 | 87 Ų | 87 | 84% | 0.836 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -84.1 | 120.9 | 176.1 | -179 | 0 | 0 | 0 | 0 | 108.2 | ||
| 468 | L | 90.2 | Very high | 83.7 | Confident | 72 Ų | 72 | 88.2 Ų | 88.2 | 38% | 0.377 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -100.7 | 138 | 174.2 | -62.3 | 179.5 | 0 | 0 | 0 | 110.1 | E472 | L468-E472 WeakPolarHBondContact CA-OE2 3.45Å; L468-E472 HydrophobicContact CB-CB 4.19Å; L468-E472 HydrophobicContact CD2-CB 4.23Å |
| 469 | M | 93.1 | Very high | 81.1 | Confident | 109 Ų | 109 | 89.7 Ų | 89.7 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 153.1 | 165.6 | -65.5 | -67.8 | -74.1 | 0 | 0 | 109.5 | H471 E472 A473 | M469-H471 VanDerWaalsContact CB-CE1 3.47Å; M469-H471 WeakPolarHBondContact CB-CE1 3.47Å; M469-H471 PolarHBondContact O-N 3.45Å; M469-H471 VanDerWaalsContact O-N 3.08Å; M469-E472 HydrophobicContact CB-CG 4.17Å; M469-E472 PolarHBondContact N-OE2 3.1Å; M469-E472 WeakPolarHBondContact O-CB 3.49Å; M469-E472 PolarHBondContact O-N 2.79Å; M469-A473 PolarHBondContact O-N 2.97Å |
| 470 | P | 91.4 | Very high | 78.2 | Confident | 106 Ų | 106 | 91.7 Ų | 91.7 | 69% | 0.688 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -53.5 | -36.9 | -176.9 | -29.8 | 36 | 0 | 0 | 0 | 114.3 | E472 A473 V474 | P470-E472 VanDerWaalsContact C-N 3.32Å; P470-E472 PolarHBondContact O-N 3.4Å; P470-A473 PolarHBondContact O-N 3.33Å; P470-V474 WeakPolarHBondContact O-CG2 3.5Å |
| 471 | H | 91.4 | Very high | 75.1 | Confident | 133 Ų | 133 | 95.6 Ų | 95.6 | 62% | 0.616 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.1 | -22.8 | 179.1 | 68.1 | -88 | 0 | 0 | 0 | 113.9 | M469 | M469-H471 VanDerWaalsContact CB-CE1 3.47Å; M469-H471 WeakPolarHBondContact CB-CE1 3.47Å; M469-H471 PolarHBondContact O-N 3.45Å; M469-H471 VanDerWaalsContact O-N 3.08Å |
| 472 | E | 89.6 | Confident | 71.8 | Confident | 88 Ų | 88 | 97 Ų | 97 | 41% | 0.411 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -78.9 | -25 | 175.7 | -60 | 173 | 143.6 | 0 | 0 | 111.3 | L468 M469 P470 | L468-E472 WeakPolarHBondContact CA-OE2 3.45Å; L468-E472 HydrophobicContact CB-CB 4.19Å; L468-E472 HydrophobicContact CD2-CB 4.23Å; M469-E472 HydrophobicContact CB-CG 4.17Å; M469-E472 PolarHBondContact N-OE2 3.1Å; M469-E472 WeakPolarHBondContact O-CB 3.49Å; M469-E472 PolarHBondContact O-N 2.79Å; P470-E472 VanDerWaalsContact C-N 3.32Å; P470-E472 PolarHBondContact O-N 3.4Å |
| 473 | A | 84.5 | Confident | 68.5 | Low | 40 Ų | 40 | 101.9 Ų | 101.9 | 33% | 0.331 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -80.6 | -21.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | M469 P470 S475 Q476 S477 | M469-A473 PolarHBondContact O-N 2.97Å; P470-A473 PolarHBondContact O-N 3.33Å; A473-S475 PolarHBondContact O-N 2.87Å; A473-Q476 PolarHBondContact O-N 2.93Å; A473-S477 PolarHBondContact O-N 3.48Å |
| 474 | V | 75.8 | Confident | 65.3 | Low | 95 Ų | 95 | 101.4 Ų | 101.4 | 58% | 0.576 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -58 | -37.8 | -178.3 | -179.9 | 0 | 0 | 0 | 0 | 111.9 | P470 Q476 S477 | P470-V474 WeakPolarHBondContact O-CG2 3.5Å; V474-Q476 VanDerWaalsContact C-N 3.27Å; V474-Q476 PolarHBondContact O-N 3.16Å; V474-S477 PolarHBondContact O-OG 2.96Å |
| 475 | S | 58.2 | Low | 62.2 | Low | 93 Ų | 93 | 109.2 Ų | 109.2 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.7 | -16.2 | 179.8 | -53.5 | 0 | 0 | 0 | 0 | 114 | A473 S478 | A473-S475 PolarHBondContact O-N 2.87Å; S475-S478 PolarHBondContact O-OG 3.25Å |
| 476 | Q | 55.6 | Low | 59.3 | Low | 125 Ų | 125 | 112.4 Ų | 112.4 | 58% | 0.584 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -88.3 | -33.9 | 177.4 | -66.8 | -176.7 | -4.3 | 0 | 0 | 111.7 | A473 V474 S478 A479 | A473-Q476 PolarHBondContact O-N 2.93Å; V474-Q476 VanDerWaalsContact C-N 3.27Å; V474-Q476 PolarHBondContact O-N 3.16Å; Q476-S478 PolarHBondContact O-N 2.97Å; Q476-A479 PolarHBondContact O-N 2.65Å |
| 477 | S | 47.6 | Very low | 56.5 | Low | 78 Ų | 78 | 114.9 Ų | 114.9 | 55% | 0.545 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -67 | -18.9 | 178.2 | 42.3 | 0 | 0 | 0 | 0 | 114.9 | A473 V474 A479 | A473-S477 PolarHBondContact O-N 3.48Å; V474-S477 PolarHBondContact O-OG 2.96Å; S477-A479 VanDerWaalsContact C-N 3.35Å |
| 478 | S | 39.6 | Very low | 53.7 | Low | 95 Ų | 95 | 114 Ų | 114 | 66% | 0.664 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -8.3 | 176.9 | 50.9 | 0 | 0 | 0 | 0 | 114.4 | S475 Q476 | S475-S478 PolarHBondContact O-OG 3.25Å; Q476-S478 PolarHBondContact O-N 2.97Å |
| 479 | A | 38.5 | Very low | 50.8 | Low | 79 Ų | 79 | 117.2 Ų | 117.2 | 65% | 0.653 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -96.1 | -13.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q476 S477 | Q476-A479 PolarHBondContact O-N 2.65Å; S477-A479 VanDerWaalsContact C-N 3.35Å |
| 480 | D | 34.3 | Very low | 47.8 | Very low | 147 Ų | 147 | 119.8 Ų | 119.8 | 79% | 0.786 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -121.5 | 27.9 | -170.8 | -78.6 | -28.3 | 0 | 0 | 0 | 114.7 | P482 | D480-P482 VanDerWaalsContact O-CD 3.28Å; D480-P482 WeakPolarHBondContact O-CD 3.39Å |
| 481 | I | 31.8 | Very low | 44.9 | Very low | 141 Ų | 141 | 122.8 Ų | 122.8 | 72% | 0.723 | 69% | 0.69 | S | S | * | * | trans | -100.9 | 100.6 | 164.3 | -52.8 | 177.3 | 0 | 0 | 0 | 108 | S483 | I481-S483 PolarHBondContact O-N 3.29Å; I481-S483 VanDerWaalsContact O-N 3.14Å | ||
| 482 | P | 29.2 | Very low | 42.1 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | -66.8 | 114.7 | 162.6 | 18.7 | -12.8 | 0 | 0 | 0 | 107.1 | D480 T484 | D480-P482 VanDerWaalsContact O-CD 3.28Å; D480-P482 WeakPolarHBondContact O-CD 3.39Å; P482-T484 VanDerWaalsContact C-N 3.34Å; P482-T484 PolarHBondContact O-N 3.09Å | ||
| 483 | S | 28.5 | Very low | 39.3 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 75% | 0.748 | 72% | 0.722 | S | S | * | * | trans | -61.5 | 94.4 | 167.2 | 51.9 | 0 | 0 | 0 | 0 | 109 | I481 E485 | I481-S483 PolarHBondContact O-N 3.29Å; I481-S483 VanDerWaalsContact O-N 3.14Å; S483-E485 VanDerWaalsContact C-N 3.31Å; S483-E485 PolarHBondContact O-N 2.89Å; S483-E485 VanDerWaalsContact O-N 3.08Å | ||
| 484 | T | 28.9 | Very low | 36.8 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 80% | 0.798 | 74% | 0.739 | S | S | * | * | trans | -74 | 88.9 | 162.6 | 16.8 | 0 | 0 | 0 | 0 | 108.2 | P482 Q486 | P482-T484 VanDerWaalsContact C-N 3.34Å; P482-T484 PolarHBondContact O-N 3.09Å; T484-Q486 PolarHBondContact O-N 3.26Å; T484-Q486 VanDerWaalsContact O-N 3.09Å | ||
| 485 | E | 29 | Very low | 34.7 | Very low | 186 Ų | 186 | 132.9 Ų | 132.9 | 87% | 0.869 | 75% | 0.75 | S | S | * | * | trans | -60.3 | 108.3 | 156.1 | -79.4 | -173.7 | 159.3 | 0 | 0 | 107.9 | S483 N487 | S483-E485 VanDerWaalsContact C-N 3.31Å; S483-E485 PolarHBondContact O-N 2.89Å; S483-E485 VanDerWaalsContact O-N 3.08Å; E485-N487 PolarHBondContact O-N 3.01Å | ||
| 486 | Q | 29.6 | Very low | 33.3 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -69.6 | 108.7 | 170 | -79.9 | -179.1 | -31.5 | 0 | 0 | 109.3 | T484 V488 | T484-Q486 PolarHBondContact O-N 3.26Å; T484-Q486 VanDerWaalsContact O-N 3.09Å; Q486-V488 PolarHBondContact O-N 2.73Å | ||
| 487 | N | 29.9 | Very low | 32.3 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | -57 | 110.2 | 153.5 | -89.4 | -37.4 | 0 | 0 | 0 | 109.2 | E485 | E485-N487 PolarHBondContact O-N 3.01Š| ||
| 488 | V | 31.2 | Very low | 31.5 | Very low | 119 Ų | 119 | 141.6 Ų | 141.6 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | trans | -108.6 | 108.7 | 162 | -178.1 | 0 | 0 | 0 | 0 | 107.8 | Q486 N490 | Q486-V488 PolarHBondContact O-N 2.73Å; V488-N490 PolarHBondContact O-N 3.42Å | ||
| 489 | N | 29.4 | Very low | 31.1 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 82% | 0.817 | S | S | * | * | trans | -47.9 | 126.7 | 168 | -80.5 | -29.3 | 0 | 0 | 0 | 111.5 | ||||
| 490 | N | 30.1 | Very low | 30.7 | Very low | 162 Ų | 162 | 147.4 Ų | 147.4 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | trans | -106.4 | 99 | 154 | -92.8 | -26 | 0 | 0 | 0 | 108.5 | V488 K492 | V488-N490 PolarHBondContact O-N 3.42Å; N490-K492 PolarHBondContact O-N 3.47Å | ||
| 491 | H | 31 | Very low | 30.5 | Very low | 169 Ų | 169 | 147.4 Ų | 147.4 | 78% | 0.782 | 83% | 0.828 | S | S | * | * | trans | -68.7 | 119.2 | 156 | -97.6 | -72.2 | 0 | 0 | 0 | 108.4 | ||||
| 492 | K | 31.5 | Very low | 30.5 | Very low | 204 Ų | 204 | 147.8 Ų | 147.8 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | -130.1 | 121.2 | 148.5 | -86.5 | -172 | 175.8 | 179.6 | 0 | 108.2 | N490 | N490-K492 PolarHBondContact O-N 3.47Š| ||
| 493 | D | 31.5 | Very low | 30.6 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 81% | 0.813 | 84% | 0.843 | S | S | * | * | trans | -53.1 | 147.5 | 170.7 | -66.1 | -54.5 | 0 | 0 | 0 | 112.7 | ||||
| 494 | A | 30.9 | Very low | 30.7 | Very low | 84 Ų | 84 | 153.1 Ų | 153.1 | 69% | 0.694 | 85% | 0.849 | S | S | * | * | 148.9 | 107.8 | 118.7 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 495 | T | 32.3 | Very low | 30.8 | Very low | 129 Ų | 129 | 154.8 Ų | 154.8 | 79% | 0.791 | 85% | 0.853 | S | S | * | * | trans | 36 | 117.2 | 134.5 | 47.7 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 496 | N | 29.5 | Very low | 31 | Very low | 167 Ų | 167 | 152.4 Ų | 152.4 | 89% | 0.893 | 85% | 0.851 | S | S | * | * | trans | -147.3 | 136.5 | 135 | -107.6 | -16.9 | 0 | 0 | 0 | 112.6 | ||||
| 497 | C | 33.3 | Very low | 31.1 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 80% | 0.804 | 85% | 0.854 | S | S | * | * | trans | -32.8 | 138.6 | 175.1 | -63.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 498 | S | 32.3 | Very low | 31.2 | Very low | 193 Ų | 193 | 148.9 Ų | 148.9 | 100% | 1.35 | 85% | 0.85 | S | S | * | * | -175.7 | 0 | 91.5 | 50.9 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 498 of 498 residues in 290.8 ms
(Link to these results)