| 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 | 73.3 | Confident | 39.6 | Very low | 30 Ų | 30 | 104 Ų | 104 | 15% | 0.148 | 55% | 0.546 | C | S | . | . | 0 | 137.9 | 0 | -58.6 | 176.1 | -167.1 | 0 | 0 | 108.1 | L392 V393 L400 A402 L426 T427 K429 | M1-L392 HydrophobicContact CB-CD1 3.64Å; M1-L392 HydrophobicContact CB-CG 4Å; M1-L392 HydrophobicContact SD-CD2 3.8Å; M1-L392 HydrophobicContact SD-CG 4.2Å; M1-V393 CarbonylContact C-O 3.58Å; M1-V393 WeakPolarHBondContact CA-O 3.34Å; M1-L400 HydrophobicContact CE-CB 4.14Å; M1-L400 HydrophobicContact CE-CD1 3.79Å; M1-A402 HydrophobicContact CE-CB 3.87Å; M1-A402 HydrophobicContact SD-CB 3.71Å; M1-L426 HydrophobicContact CE-CD1 4.31Å; M1-T427 PolarHBondContact N-O 2.98Å; M1-K429 PolarHBondContact O-N 3.46Å | |||
| 2 | E | 53.3 | Low | 38.5 | Very low | 91 Ų | 91 | 103.9 Ų | 103.9 | 43% | 0.425 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.9 | -177.8 | -176.8 | 162.6 | -152.1 | 0 | 0 | 110.9 | L392 V393 K429 | E2-L392 WeakPolarHBondContact O-CA 3.39Å; E2-V393 PolarHBondContact N-O 3.38Å; E2-V393 PolarHBondContact O-N 2.84Å; E2-K429 HydrophobicContact CG-CD 4.1Å; E2-K429 WeakPolarHBondContact OE1-CE 3.27Å; E2-K429 IonicContact OE1-NZ 4Å; E2-K429 PolarHBondContact OE1-NZ 3.31Å |
| 3 | F | 50.1 | Low | 37.5 | Very low | 1 Ų | 1 | 110.6 Ų | 110.6 | 0% | 0.004 | 58% | 0.577 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -81 | 125.9 | 176.7 | -156.6 | -89.4 | 0 | 0 | 0 | 108.8 | V390 A404 M406 A412 V414 K429 P431 W450 | F3-V390 HydrophobicContact CD1-CG2 4.31Å; F3-V390 HydrophobicContact CD2-CG2 4.41Å; F3-V390 HydrophobicContact CE1-CG2 3.61Å; F3-V390 HydrophobicContact CE2-CG2 3.75Å; F3-V390 HydrophobicContact CZ-CG2 3.31Å; F3-A404 HydrophobicContact CD2-CB 3.9Å; F3-A404 HydrophobicContact CE2-CB 3.64Å; F3-M406 HydrophobicContact CE1-CG 4.07Å; F3-M406 HydrophobicContact CE1-SD 4.21Å; F3-M406 HydrophobicContact CZ-CG 3.84Å; F3-A412 HydrophobicContact CE2-CB 4.13Å; F3-A412 HydrophobicContact CZ-CB 3.96Å; F3-V414 HydrophobicContact CD2-CG2 4.4Å; F3-V414 HydrophobicContact CE2-CG2 4.27Å; F3-K429 WeakPolarHBondContact CB-O 3.47Å; F3-K429 PolarHBondContact N-O 2.86Å; F3-P431 WeakPolarHBondContact O-CD 3.34Å; F3-P431 VanDerWaalsContact O-CG 3.28Å; F3-P431 WeakPolarHBondContact O-CG 2.88Å; F3-W450 HydrophobicContact CD2-CH2 4.47Å; F3-W450 HydrophobicContact CD2-CZ2 4.31Å; F3-W450 HydrophobicContact CE2-CH2 4.47Å; F3-W450 HydrophobicContact CE2-CZ2 4.33Å |
| 4 | S | 43.2 | Very low | 37.2 | Very low | 51 Ų | 51 | 108.6 Ų | 108.6 | 36% | 0.357 | 57% | 0.574 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.3 | 130.9 | 175.9 | 61 | 0 | 0 | 0 | 0 | 111.4 | G391 | S4-G391 PolarHBondContact N-O 3.44Å; S4-G391 WeakPolarHBondContact OG-CA 3.5Å |
| 5 | S | 39.8 | Very low | 36.8 | Very low | 83 Ų | 83 | 106 Ų | 106 | 58% | 0.58 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 147.9 | 165.1 | 41.2 | 0 | 0 | 0 | 0 | 109.9 | S7 | S5-S7 PolarHBondContact O-N 2.83Š|
| 6 | P | 33.3 | Very low | 36.9 | Very low | 90 Ų | 90 | 101.1 Ų | 101.1 | 58% | 0.584 | 55% | 0.551 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 125.9 | 179.2 | 18 | -26.5 | 0 | 0 | 0 | 110.7 | ||
| 7 | S | 29.7 | Very low | 37.3 | Very low | 91 Ų | 91 | 106.5 Ų | 106.5 | 64% | 0.636 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 140.1 | 174.7 | 50.7 | 0 | 0 | 0 | 0 | 110.1 | S5 E9 | S5-S7 PolarHBondContact O-N 2.83Å; S7-E9 VanDerWaalsContact C-N 3.28Å; S7-E9 PolarHBondContact O-N 3.26Å |
| 8 | R | 29.5 | Very low | 37.7 | Very low | 255 Ų | 255 | 101.1 Ų | 101.1 | 96% | 0.962 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -1.7 | -173.3 | -87.9 | -175.7 | 175.8 | -179 | -0.7 | 115.5 | ||
| 9 | E | 29.3 | Very low | 37.8 | Very low | 185 Ų | 185 | 96.4 Ų | 96.4 | 86% | 0.864 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.6 | 2.2 | -167.2 | -80.1 | -175.5 | 162.2 | 0 | 0 | 117.4 | S7 | S7-E9 VanDerWaalsContact C-N 3.28Å; S7-E9 PolarHBondContact O-N 3.26Å |
| 10 | E | 29.1 | Very low | 38.3 | Very low | 174 Ų | 174 | 91.8 Ų | 91.8 | 81% | 0.813 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -144.5 | 79 | 168.8 | -74.6 | -174.3 | 161.1 | 0 | 0 | 110.8 | ||
| 11 | C | 24.6 | Very low | 39 | Very low | 93 Ų | 93 | 87.5 Ų | 87.5 | 63% | 0.628 | 46% | 0.462 | S | S | * | . | trans | -148.9 | 108.8 | 167.3 | -95.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 12 | P | 26.7 | Very low | 37.7 | Very low | 103 Ų | 103 | 86 Ų | 86 | 67% | 0.669 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -56.6 | 140.4 | 144.5 | 14.3 | -6.2 | 0 | 0 | 0 | 107.3 | P14 | P12-P14 VanDerWaalsContact O-N 3.1Š|
| 13 | K | 25.8 | Very low | 37.1 | Very low | 191 Ų | 191 | 81.8 Ų | 81.8 | 83% | 0.83 | 44% | 0.436 | S | S | * | . | trans | -42.2 | 120.3 | -179.3 | -70.6 | 176.7 | 177.9 | 176.5 | 0 | 110.1 | S15 | K13-S15 PolarHBondContact O-N 3.11Å; K13-S15 VanDerWaalsContact O-N 3.1Å | ||
| 14 | P | 33 | Very low | 36.8 | Very low | 82 Ų | 82 | 81.8 Ų | 81.8 | 53% | 0.532 | 44% | 0.436 | S | S | . | . | trans | -68.6 | 115.4 | -178.2 | 24.1 | -28.6 | 0 | 0 | 0 | 108.8 | P12 G16 Q388 | P12-P14 VanDerWaalsContact O-N 3.1Å; P14-G16 PolarHBondContact O-N 2.85Å; P14-Q388 VanDerWaalsContact CG-NE2 3.3Å | ||
| 15 | S | 32.1 | Very low | 36.9 | Very low | 70 Ų | 70 | 79.6 Ų | 79.6 | 49% | 0.49 | 42% | 0.42 | S | S | . | . | trans | -75.3 | -5.9 | 168.5 | 57.7 | 0 | 0 | 0 | 0 | 112.7 | K13 R17 | K13-S15 PolarHBondContact O-N 3.11Å; K13-S15 VanDerWaalsContact O-N 3.1Å; S15-R17 PolarHBondContact O-N 3.37Å; S15-R17 VanDerWaalsContact O-N 3.15Å | ||
| 16 | G | 37.7 | Very low | 37 | Very low | 28 Ų | 28 | 75.9 Ų | 75.9 | 29% | 0.289 | 39% | 0.394 | S | S | . | . | trans | -85.9 | 81.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P14 | P14-G16 PolarHBondContact O-N 2.85Š| ||
| 17 | R | 43.1 | Very low | 37.1 | Very low | 192 Ų | 192 | 71.6 Ų | 71.6 | 73% | 0.725 | 37% | 0.366 | S | S | * | . | trans | -69.6 | 122.9 | 152.8 | -70 | -178.1 | -179.1 | -174.7 | -0.3 | 107.1 | S15 | S15-R17 PolarHBondContact O-N 3.37Å; S15-R17 VanDerWaalsContact O-N 3.15Å | ||
| 18 | V | 44.6 | Very low | 37.6 | Very low | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.055 | 34% | 0.338 | C | S | . | . | B | Isolated β-bridge | trans | -83.4 | 126.6 | 174.8 | -165.9 | 0 | 0 | 0 | 0 | 107.9 | I20 L327 V332 E385 G386 S387 L405 | V18-I20 HydrophobicContact CB-CD1 4.4Å; V18-I20 HydrophobicContact CG1-CD1 3.61Å; V18-I20 HydrophobicContact CG1-CG1 3.57Å; V18-L327 HydrophobicContact CG1-CD2 3.64Å; V18-V332 CarbonylContact C-O 3.38Å; V18-V332 WeakPolarHBondContact CA-O 3.46Å; V18-V332 WeakPolarHBondContact CG1-O 3.08Å; V18-E385 WeakPolarHBondContact O-CA 3.26Å; V18-G386 PolarHBondContact O-N 3.36Å; V18-S387 VanDerWaalsContact CB-O 3.23Å; V18-S387 WeakPolarHBondContact CB-O 3.19Å; V18-S387 VanDerWaalsContact CG2-O 3.29Å; V18-S387 WeakPolarHBondContact CG2-O 3.05Å; V18-S387 PolarHBondContact N-O 3.28Å; V18-L405 HydrophobicContact CG1-CD2 4.5Å; V18-L405 HydrophobicContact CG2-CD2 4.43Å |
| 19 | S | 40.8 | Very low | 38 | Very low | 13 Ų | 13 | 56 Ų | 56 | 9% | 0.091 | 30% | 0.295 | C | S | . | . | trans | -119.2 | 122.6 | 174.4 | -165.4 | 0 | 0 | 0 | 0 | 108.8 | N73 V332 G333 | S19-N73 PolarHBondContact OG-ND2 3.09Å; S19-V332 CarbonylContact C-O 3.58Å; S19-V332 PolarHBondContact N-O 3.5Å; S19-G333 WeakPolarHBondContact O-CA 3.48Å | ||
| 20 | I | 47.5 | Very low | 38.4 | Very low | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | trans | -119.4 | 105.6 | -157 | -65.5 | 171.9 | 0 | 0 | 0 | 112.2 | V18 N73 F379 I383 L405 | V18-I20 HydrophobicContact CB-CD1 4.4Å; V18-I20 HydrophobicContact CG1-CD1 3.61Å; V18-I20 HydrophobicContact CG1-CG1 3.57Å; I20-N73 PolarHBondContact O-OD1 3.23Å; I20-N73 VanDerWaalsContact O-OD1 3.12Å; I20-F379 HydrophobicContact CG2-CB 4.03Å; I20-I383 WeakPolarHBondContact CB-O 3.42Å; I20-I383 HydrophobicContact CD1-CB 3.28Å; I20-I383 HydrophobicContact CD1-CD1 3.84Å; I20-I383 HydrophobicContact CD1-CG1 4.17Å; I20-I383 HydrophobicContact CD1-CG2 3.07Å; I20-I383 HydrophobicContact CG1-CB 4.47Å; I20-I383 HydrophobicContact CG1-CG2 4.45Å; I20-I383 HydrophobicContact CG2-CB 4.48Å; I20-L405 HydrophobicContact CD1-CD2 4.44Å | ||
| 21 | M | 52.7 | Low | 38.7 | Very low | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | trans | 81.1 | 129.9 | 148.2 | -57.6 | -146.2 | -85.2 | 0 | 0 | 121 | N73 I323 W334 L376 F379 | M21-N73 PolarHBondContact O-N 2.97Å; M21-I323 HydrophobicContact CE-CD1 3.38Å; M21-I323 HydrophobicContact CE-CG1 4Å; M21-I323 HydrophobicContact CE-CG2 3.99Å; M21-I323 HydrophobicContact SD-CD1 3.47Å; M21-I323 WeakPolarHBondContact SD-CD1 3.37Å; M21-I323 HydrophobicContact SD-CG1 3.65Å; M21-I323 HydrophobicContact SD-CG2 4.26Å; M21-W334 WeakPolarHBondContact CA-O 3.21Å; M21-W334 WeakPolarHBondContact CB-O 3.44Å; M21-W334 HydrophobicContact CG-CB 3.91Å; M21-W334 HydrophobicContact CG-CE3 4.48Å; M21-W334 WeakPolarHBondContact CG-O 3.44Å; M21-W334 HydrophobicContact SD-CB 3.85Å; M21-W334 HydrophobicContact SD-CD2 3.96Å; M21-W334 HydrophobicContact SD-CE3 3.5Å; M21-W334 VanDerWaalsContact SD-CE3 3.5Å; M21-W334 HydrophobicContact SD-CG 4.15Å; M21-W334 HydrophobicContact SD-CZ3 4.38Å; M21-L376 HydrophobicContact CE-CD2 3.75Å; M21-L376 WeakPolarHBondContact CE-O 3.47Å; M21-L376 HydrophobicContact SD-CD2 3.36Å; M21-L376 WeakPolarHBondContact SD-CD2 3.19Å; M21-F379 HydrophobicContact CE-CB 3.23Å; M21-F379 HydrophobicContact CE-CD2 3.81Å; M21-F379 HydrophobicContact CE-CG 3.77Å | ||
| 22 | A | 45.1 | Very low | 39.3 | Very low | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 163.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I74 W334 T335 D336 | A22-I74 WeakPolarHBondContact CA-O 3.33Å; A22-I74 HydrophobicContact CB-CB 3.37Å; A22-I74 HydrophobicContact CB-CG2 3.5Å; A22-I74 WeakPolarHBondContact CB-O 3.36Å; A22-W334 PolarHBondContact N-O 3.5Å; A22-T335 HydrophobicContact CB-CG2 3.33Å; A22-D336 WeakPolarHBondContact O-CB 3.22Å; A22-D336 PolarHBondContact O-N 3.14Å |
| 23 | G | 41.5 | Very low | 39.5 | Very low | 2 Ų | 2 | 33.6 Ų | 33.6 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 152.1 | 148 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 24 | S | 44.9 | Very low | 39.8 | Very low | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 135.7 | 170.6 | 174 | 0 | 0 | 0 | 0 | 111.9 | T26 W76 D336 W337 L339 | S24-T26 PolarHBondContact O-N 3.07Å; S24-T26 PolarHBondContact OG-N 2.96Å; S24-T26 VanDerWaalsContact OG-N 3.09Å; S24-T26 PolarHBondContact OG-OG1 3.21Å; S24-W76 VanDerWaalsContact OG-CE3 3.26Å; S24-W76 PolarHBondContact OG-O 3.02Å; S24-D336 PolarHBondContact N-O 3.2Å; S24-W337 VanDerWaalsContact CA-O 3.28Å; S24-W337 WeakPolarHBondContact CA-O 3.05Å; S24-W337 WeakPolarHBondContact CB-O 3.36Å; S24-W337 PolarHBondContact N-O 3.28Å; S24-L339 WeakPolarHBondContact O-CB 3.31Å; S24-L339 PolarHBondContact O-N 3.35Å |
| 25 | L | 45.3 | Very low | 39.8 | Very low | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.026 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -8.2 | 174.1 | -78.2 | 167.8 | 0 | 0 | 0 | 114.3 | G27 L28 L29 I75 W76 L116 I117 L339 | L25-G27 VanDerWaalsContact C-N 3.32Å; L25-G27 PolarHBondContact O-N 3.25Å; L25-G27 VanDerWaalsContact O-N 3.14Å; L25-L28 HydrophobicContact CD2-CB 4.32Å; L25-L28 HydrophobicContact CD2-CD2 4.43Å; L25-L28 PolarHBondContact O-N 2.89Å; L25-L29 HydrophobicContact CB-CD1 4.14Å; L25-L29 WeakPolarHBondContact O-CD1 3.4Å; L25-L29 VanDerWaalsContact O-CG 3.23Å; L25-L29 WeakPolarHBondContact O-CG 3.48Å; L25-L29 PolarHBondContact O-N 3.26Å; L25-I75 HydrophobicContact CD1-CD1 4.38Å; L25-I75 HydrophobicContact CD1-CG2 3.55Å; L25-I75 HydrophobicContact CG-CG2 3.82Å; L25-W76 PolarHBondContact N-O 2.95Å; L25-L116 HydrophobicContact CD1-CB 4.33Å; L25-L116 HydrophobicContact CD2-CB 4.34Å; L25-L116 HydrophobicContact CD2-CD1 4.38Å; L25-I117 HydrophobicContact CD1-CB 4.32Å; L25-I117 HydrophobicContact CD1-CD1 4.29Å; L25-I117 HydrophobicContact CD1-CG1 3.28Å; L25-L339 HydrophobicContact CD2-CD2 3.74Å |
| 26 | T | 41.5 | Very low | 39.7 | Very low | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -48.8 | -48.1 | -171.2 | -42.2 | 0 | 0 | 0 | 0 | 113.5 | S24 L30 P78 C82 F84 N338 | S24-T26 PolarHBondContact O-N 3.07Å; S24-T26 PolarHBondContact OG-N 2.96Å; S24-T26 VanDerWaalsContact OG-N 3.09Å; S24-T26 PolarHBondContact OG-OG1 3.21Å; T26-L30 WeakPolarHBondContact O-CG 3.4Å; T26-P78 HydrophobicContact CG2-CG 3.95Å; T26-P78 WeakPolarHBondContact OG1-CG 3.22Å; T26-C82 VanDerWaalsContact CG2-SG 3.57Å; T26-F84 HydrophobicContact CG2-CB 3.59Å; T26-F84 WeakPolarHBondContact CG2-O 3.39Å; T26-N338 WeakPolarHBondContact CB-OD1 3.36Å |
| 27 | G | 35.2 | Very low | 39.3 | Very low | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -75.4 | -25.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | L25 L29 L30 N338 A340 | L25-G27 VanDerWaalsContact C-N 3.32Å; L25-G27 PolarHBondContact O-N 3.25Å; L25-G27 VanDerWaalsContact O-N 3.14Å; G27-L29 VanDerWaalsContact C-N 3.3Å; G27-L29 PolarHBondContact O-N 3.47Å; G27-L30 PolarHBondContact O-N 2.99Å; G27-N338 PolarHBondContact N-OD1 3.24Å; G27-A340 CarbonylContact C-O 3.57Å; G27-A340 WeakPolarHBondContact CA-O 3.46Å |
| 28 | L | 40.3 | Very low | 38.7 | Very low | 7 Ų | 7 | 23.9 Ų | 23.9 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67 | -36.2 | 177.1 | -139.7 | 96.9 | 0 | 0 | 0 | 111.5 | L25 L30 E57 T60 I61 L116 L339 A340 | L25-L28 HydrophobicContact CD2-CB 4.32Å; L25-L28 HydrophobicContact CD2-CD2 4.43Å; L25-L28 PolarHBondContact O-N 2.89Å; L28-L30 VanDerWaalsContact C-N 3.29Å; L28-L30 PolarHBondContact O-N 3.22Å; L28-E57 HydrophobicContact CD2-CG 3.87Å; L28-T60 HydrophobicContact CD1-CG2 3.4Å; L28-I61 HydrophobicContact CD2-CD1 4.29Å; L28-I61 HydrophobicContact CD2-CG1 4.07Å; L28-L116 HydrophobicContact CB-CD1 4.14Å; L28-L116 HydrophobicContact CD2-CD1 3.8Å; L28-L116 HydrophobicContact CD2-CD2 4.43Å; L28-L116 HydrophobicContact CG-CD1 4.5Å; L28-L339 HydrophobicContact CD1-CB 4.34Å; L28-L339 HydrophobicContact CD1-CD2 3.87Å; L28-L339 HydrophobicContact CD1-CG 4.1Å; L28-A340 HydrophobicContact CD1-CB 3.5Å; L28-A340 VanDerWaalsContact CD1-CB 3.5Å |
| 29 | L | 37.4 | Very low | 38 | Very low | 13 Ų | 13 | 26.4 Ų | 26.4 | 7% | 0.068 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -69 | -31.6 | -176.5 | -61.9 | 157.4 | 0 | 0 | 0 | 112.4 | L25 G27 Q32 A33 L112 K113 L116 | L25-L29 HydrophobicContact CB-CD1 4.14Å; L25-L29 WeakPolarHBondContact O-CD1 3.4Å; L25-L29 VanDerWaalsContact O-CG 3.23Å; L25-L29 WeakPolarHBondContact O-CG 3.48Å; L25-L29 PolarHBondContact O-N 3.26Å; G27-L29 VanDerWaalsContact C-N 3.3Å; G27-L29 PolarHBondContact O-N 3.47Å; L29-Q32 WeakPolarHBondContact O-CB 3.48Å; L29-Q32 PolarHBondContact O-N 2.82Å; L29-A33 PolarHBondContact O-N 3.37Å; L29-L112 HydrophobicContact CB-CB 4.38Å; L29-L112 HydrophobicContact CD2-CB 3.38Å; L29-K113 HydrophobicContact CD1-CB 4.37Å; L29-K113 HydrophobicContact CD1-CD 4.05Å; L29-K113 HydrophobicContact CD1-CG 3.21Å; L29-K113 VanDerWaalsContact CD2-CA 3.42Å; L29-K113 HydrophobicContact CD2-CB 4.19Å; L29-K113 HydrophobicContact CD2-CG 3.69Å; L29-K113 HydrophobicContact CG-CG 4.07Å; L29-L116 HydrophobicContact CD2-CD1 3.38Å; L29-L116 HydrophobicContact CD2-CG 4.08Å; L29-L116 HydrophobicContact CG-CD1 3.96Å |
| 30 | L | 37.3 | Very low | 37.5 | Very low | 11 Ų | 11 | 34.5 Ų | 34.5 | 6% | 0.058 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -77.9 | -28.5 | -175.5 | -71.8 | 168.3 | 0 | 0 | 0 | 113.1 | T26 G27 L28 Q32 A33 V34 F84 I86 P347 | T26-L30 WeakPolarHBondContact O-CG 3.4Å; G27-L30 PolarHBondContact O-N 2.99Å; L28-L30 VanDerWaalsContact C-N 3.29Å; L28-L30 PolarHBondContact O-N 3.22Å; L30-Q32 VanDerWaalsContact C-N 3.26Å; L30-Q32 PolarHBondContact O-N 2.68Å; L30-A33 PolarHBondContact O-N 2.74Å; L30-V34 WeakPolarHBondContact O-CG2 3.43Å; L30-V34 PolarHBondContact O-N 3.35Å; L30-F84 HydrophobicContact CD1-CB 3.97Å; L30-F84 HydrophobicContact CD1-CD1 4.46Å; L30-F84 WeakPolarHBondContact CD1-O 3.29Å; L30-I86 HydrophobicContact CD2-CG2 3.8Å; L30-P347 HydrophobicContact CB-CG 3.39Å; L30-P347 HydrophobicContact CD1-CG 3.93Å; L30-P347 WeakPolarHBondContact CD1-O 3.41Å; L30-P347 HydrophobicContact CD2-CG 4.03Å; L30-P347 HydrophobicContact CG-CG 3.98Å |
| 31 | L | 36.6 | Very low | 36.5 | Very low | 17 Ų | 17 | 39.6 Ų | 39.6 | 9% | 0.089 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.1 | -34 | 172.5 | -67.3 | 160.6 | 0 | 0 | 0 | 110.9 | S35 A340 N342 V360 I362 | L31-S35 PolarHBondContact O-N 2.88Å; L31-A340 HydrophobicContact CD1-CB 4.21Å; L31-N342 HydrophobicContact CD2-CB 3.97Å; L31-V360 HydrophobicContact CD1-CB 3.5Å; L31-V360 HydrophobicContact CD1-CG1 4.01Å; L31-V360 HydrophobicContact CD1-CG2 3.52Å; L31-V360 HydrophobicContact CD2-CB 4.07Å; L31-V360 HydrophobicContact CD2-CG1 4.34Å; L31-V360 HydrophobicContact CG-CB 4.43Å; L31-I362 HydrophobicContact CB-CD1 4.21Å; L31-I362 HydrophobicContact CD2-CD1 3.68Å; L31-I362 HydrophobicContact CD2-CG1 4.05Å |
| 32 | Q | 36 | Very low | 35.3 | Very low | 38 Ų | 38 | 46.4 Ų | 46.4 | 18% | 0.178 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69 | -42.2 | 171.3 | -68.3 | 179.9 | -36.9 | 0 | 0 | 112 | L29 L30 S35 W36 E57 L112 | L29-Q32 WeakPolarHBondContact O-CB 3.48Å; L29-Q32 PolarHBondContact O-N 2.82Å; L30-Q32 VanDerWaalsContact C-N 3.26Å; L30-Q32 PolarHBondContact O-N 2.68Å; Q32-S35 WeakPolarHBondContact O-CB 3.28Å; Q32-S35 PolarHBondContact O-N 3.37Å; Q32-W36 VanDerWaalsContact O-CD1 3.27Å; Q32-W36 PolarHBondContact O-N 3.1Å; Q32-W36 VanDerWaalsContact O-N 3.07Å; Q32-E57 PolarHBondContact NE2-OE1 3.39Å; Q32-E57 PolarHBondContact NE2-OE2 2.85Å; Q32-L112 HydrophobicContact CB-CD2 4.01Å |
| 33 | A | 31.6 | Very low | 34.5 | Very low | 17 Ų | 17 | 53.8 Ų | 53.8 | 14% | 0.14 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.2 | -35.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L29 L30 W36 A37 I86 L112 | L29-A33 PolarHBondContact O-N 3.37Å; L30-A33 PolarHBondContact O-N 2.74Å; A33-W36 PolarHBondContact O-N 2.68Å; A33-A37 WeakPolarHBondContact O-CB 3.24Å; A33-A37 PolarHBondContact O-N 3.09Å; A33-I86 HydrophobicContact CB-CD1 3.82Å; A33-L112 HydrophobicContact CB-CD1 4.32Å |
| 34 | V | 31.8 | Very low | 34.3 | Very low | 61 Ų | 61 | 58.4 Ų | 58.4 | 37% | 0.37 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69 | -36.2 | 174.7 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | L30 S38 P347 | L30-V34 WeakPolarHBondContact O-CG2 3.43Å; L30-V34 PolarHBondContact O-N 3.35Å; V34-S38 WeakPolarHBondContact O-CB 3.41Å; V34-S38 PolarHBondContact O-N 3.47Å; V34-S38 PolarHBondContact O-OG 2.96Å; V34-P347 HydrophobicContact CG2-CB 4.24Å; V34-P347 HydrophobicContact CG2-CG 3.82Å |
| 35 | S | 32.3 | Very low | 33.5 | Very low | 12 Ų | 12 | 65.6 Ų | 65.6 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.6 | -49 | 170 | 176.5 | 0 | 0 | 0 | 0 | 111 | L31 Q32 S38 D39 L53 | L31-S35 PolarHBondContact O-N 2.88Å; Q32-S35 WeakPolarHBondContact O-CB 3.28Å; Q32-S35 PolarHBondContact O-N 3.37Å; S35-S38 PolarHBondContact O-N 3.35Å; S35-S38 PolarHBondContact O-OG 2.88Å; S35-D39 PolarHBondContact O-N 2.96Å; S35-D39 VanDerWaalsContact O-N 3.16Å; S35-L53 WeakPolarHBondContact OG-CD1 3.36Å |
| 36 | W | 31.6 | Very low | 33 | Very low | 153 Ų | 153 | 72.8 Ų | 72.8 | 58% | 0.58 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.3 | -44.1 | 179 | -84.5 | 51.4 | 0 | 0 | 0 | 112.9 | Q32 A33 S38 D39 E40 K111 | Q32-W36 VanDerWaalsContact O-CD1 3.27Å; Q32-W36 PolarHBondContact O-N 3.1Å; Q32-W36 VanDerWaalsContact O-N 3.07Å; A33-W36 PolarHBondContact O-N 2.68Å; W36-S38 VanDerWaalsContact C-N 3.32Å; W36-S38 PolarHBondContact O-N 3.36Å; W36-D39 PolarHBondContact O-N 3.46Å; W36-E40 PolarHBondContact O-N 3.44Å; W36-K111 HydrophobicContact CH2-CD 4.37Å |
| 37 | A | 27.9 | Very low | 32.6 | Very low | 62 Ų | 62 | 81.6 Ų | 81.6 | 51% | 0.512 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.7 | -28.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A33 D39 | A33-A37 WeakPolarHBondContact O-CB 3.24Å; A33-A37 PolarHBondContact O-N 3.09Å; A37-D39 VanDerWaalsContact C-N 3.35Å |
| 38 | S | 29.8 | Very low | 32.3 | Very low | 71 Ų | 71 | 89.7 Ų | 89.7 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -74.4 | -25.1 | 173.4 | 68.6 | 0 | 0 | 0 | 0 | 113.3 | V34 S35 W36 | V34-S38 WeakPolarHBondContact O-CB 3.41Å; V34-S38 PolarHBondContact O-N 3.47Å; V34-S38 PolarHBondContact O-OG 2.96Å; S35-S38 PolarHBondContact O-N 3.35Å; S35-S38 PolarHBondContact O-OG 2.88Å; W36-S38 VanDerWaalsContact C-N 3.32Å; W36-S38 PolarHBondContact O-N 3.36Å |
| 39 | D | 31.7 | Very low | 32.1 | Very low | 62 Ų | 62 | 95.5 Ų | 95.5 | 33% | 0.332 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -81.8 | -19.2 | 178.6 | -77.7 | -34 | 0 | 0 | 0 | 113.1 | S35 W36 A37 C41 L42 | S35-D39 PolarHBondContact O-N 2.96Å; S35-D39 VanDerWaalsContact O-N 3.16Å; W36-D39 PolarHBondContact O-N 3.46Å; A37-D39 VanDerWaalsContact C-N 3.35Å; D39-C41 PolarHBondContact O-N 2.99Å; D39-L42 CarbonylContact O-C 3.47Å; D39-L42 PolarHBondContact O-N 3.29Å; D39-L42 VanDerWaalsContact O-N 3.17Å |
| 40 | E | 29.3 | Very low | 31.8 | Very low | 183 Ų | 183 | 102.1 Ų | 102.1 | 86% | 0.855 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -11.3 | 172.2 | -81.3 | -166.6 | 158.6 | 0 | 0 | 113.7 | W36 | W36-E40 PolarHBondContact O-N 3.44Š|
| 41 | C | 27.4 | Very low | 31.3 | Very low | 112 Ų | 112 | 111.4 Ų | 111.4 | 76% | 0.757 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | -6.9 | 173.4 | -129.4 | 0 | 0 | 0 | 0 | 113.8 | D39 | D39-C41 PolarHBondContact O-N 2.99Š|
| 42 | L | 27.7 | Very low | 31.1 | Very low | 144 Ų | 144 | 112 Ų | 112 | 75% | 0.754 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -151.4 | 93.1 | -178 | -73.8 | 170.9 | 0 | 0 | 0 | 111.4 | D39 | D39-L42 CarbonylContact O-C 3.47Å; D39-L42 PolarHBondContact O-N 3.29Å; D39-L42 VanDerWaalsContact O-N 3.17Å |
| 43 | Q | 26.7 | Very low | 31.3 | Very low | 155 Ų | 155 | 113.4 Ų | 113.4 | 72% | 0.724 | 58% | 0.576 | S | S | * | * | trans | -99.5 | 156.2 | 157.5 | -75.1 | -146.3 | -15 | 0 | 0 | 111 | ||||
| 44 | P | 38 | Very low | 32.2 | Very low | 99 Ų | 99 | 115.5 Ų | 115.5 | 64% | 0.643 | 59% | 0.585 | S | S | * | * | cis | -128.2 | 137.7 | -6.7 | 33.5 | -15.5 | 0 | 0 | 0 | 113.7 | ||||
| 45 | L | 28.7 | Very low | 33.2 | Very low | 150 Ų | 150 | 113.1 Ų | 113.1 | 79% | 0.785 | 57% | 0.572 | S | S | * | * | trans | -150.1 | 82.9 | 157.5 | -102.3 | 164.5 | 0 | 0 | 0 | 107.6 | ||||
| 46 | Q | 34.5 | Very low | 34.2 | Very low | 157 Ų | 157 | 113 Ų | 113 | 73% | 0.734 | 57% | 0.572 | S | S | * | * | trans | -97.7 | 10.5 | -156.3 | -143.6 | 163.8 | -9.5 | 0 | 0 | 115.3 | ||||
| 47 | E | 32.4 | Very low | 35.4 | Very low | 190 Ų | 190 | 106.7 Ų | 106.7 | 89% | 0.888 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -126 | -3.3 | -173.9 | -71.7 | -177 | 164 | 0 | 0 | 115.8 | ||
| 48 | Q | 30.2 | Very low | 36.8 | Very low | 170 Ų | 170 | 108.1 Ų | 108.1 | 79% | 0.794 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -112.5 | -7.8 | 180 | -79.6 | -176 | -13.4 | 0 | 0 | 116 | ||
| 49 | K | 34.3 | Very low | 38.3 | Very low | 128 Ų | 128 | 108.9 Ų | 108.9 | 56% | 0.557 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -101.2 | -17 | -172 | -74.1 | -178 | 176.1 | -179 | 0 | 116.2 | W51 A52 | K49-W51 PolarHBondContact O-N 2.77Å; K49-A52 PolarHBondContact O-N 3.01Å |
| 50 | Q | 31.5 | Very low | 39.6 | Very low | 153 Ų | 153 | 106 Ų | 106 | 72% | 0.715 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61 | -33.8 | 177.7 | -155.2 | 76.8 | 18.1 | 0 | 0 | 112 | D54 | Q50-D54 WeakPolarHBondContact O-CB 3.46Å; Q50-D54 PolarHBondContact O-N 3.01Å |
| 51 | W | 27.2 | Very low | 41.1 | Very low | 205 Ų | 205 | 97.4 Ų | 97.4 | 78% | 0.777 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -70.7 | -34.8 | -178.7 | 136.5 | -91.1 | 0 | 0 | 0 | 114.3 | K49 G55 | K49-W51 PolarHBondContact O-N 2.77Å; W51-G55 PolarHBondContact O-N 2.82Å |
| 52 | A | 32.7 | Very low | 42.5 | Very low | 30 Ų | 30 | 95.3 Ų | 95.3 | 25% | 0.248 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -74.2 | -41.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | K49 G55 A56 | K49-A52 PolarHBondContact O-N 3.01Å; A52-G55 WeakPolarHBondContact O-CA 3.4Å; A52-G55 PolarHBondContact O-N 2.79Å; A52-A56 PolarHBondContact O-N 2.92Å |
| 53 | L | 39.9 | Very low | 43.8 | Very low | 67 Ų | 67 | 89.1 Ų | 89.1 | 35% | 0.351 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.3 | -38.4 | 177.5 | -69.4 | 164.2 | 0 | 0 | 0 | 112.2 | S35 G55 E57 | S35-L53 WeakPolarHBondContact OG-CD1 3.36Å; L53-G55 PolarHBondContact O-N 2.99Å; L53-E57 WeakPolarHBondContact O-CB 3.45Å; L53-E57 PolarHBondContact O-N 2.91Å |
| 54 | D | 50.7 | Low | 45.3 | Very low | 62 Ų | 62 | 81.8 Ų | 81.8 | 33% | 0.332 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59 | -30.8 | 168.8 | -93.3 | -41.2 | 0 | 0 | 0 | 112.2 | Q50 Y58 R119 | Q50-D54 WeakPolarHBondContact O-CB 3.46Å; Q50-D54 PolarHBondContact O-N 3.01Å; D54-Y58 WeakPolarHBondContact O-CA 3.49Å; D54-Y58 WeakPolarHBondContact O-CB 3.33Å; D54-Y58 PolarHBondContact O-N 2.6Å; D54-R119 IonicContact OD1-CZ 3.67Å; D54-R119 IonicContact OD1-NH1 3.6Å; D54-R119 PolarHBondContact OD1-NH1 3.21Å; D54-R119 IonicContact OD1-NH2 3.37Å; D54-R119 PolarHBondContact OD1-NH2 3.44Å |
| 55 | G | 52.6 | Low | 46.2 | Very low | 10 Ų | 10 | 77.6 Ų | 77.6 | 10% | 0.103 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64 | -63.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | W51 A52 L53 E57 R59 | W51-G55 PolarHBondContact O-N 2.82Å; A52-G55 WeakPolarHBondContact O-CA 3.4Å; A52-G55 PolarHBondContact O-N 2.79Å; L53-G55 PolarHBondContact O-N 2.99Å; G55-E57 VanDerWaalsContact C-N 3.34Å; G55-E57 PolarHBondContact O-N 3.22Å; G55-R59 VanDerWaalsContact CA-NH1 3.3Å; G55-R59 WeakPolarHBondContact O-CB 3.35Å; G55-R59 WeakPolarHBondContact O-CG 3.22Å; G55-R59 VanDerWaalsContact O-CZ 3.31Å; G55-R59 PolarHBondContact O-N 2.81Å; G55-R59 PolarHBondContact O-NE 2.96Å |
| 56 | A | 53.8 | Low | 47.6 | Very low | 10 Ų | 10 | 71.1 Ų | 71.1 | 8% | 0.083 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.4 | -36.2 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A52 T60 | A52-A56 PolarHBondContact O-N 2.92Å; A56-T60 WeakPolarHBondContact O-CB 3.42Å; A56-T60 PolarHBondContact O-N 2.88Å; A56-T60 PolarHBondContact O-OG1 3.16Å |
| 57 | E | 57.5 | Low | 48.5 | Very low | 20 Ų | 20 | 65.2 Ų | 65.2 | 9% | 0.093 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.3 | -53.2 | 176.4 | -176 | -160.6 | 132.8 | 0 | 0 | 111.6 | L28 Q32 L53 G55 R59 T60 I61 L116 R119 | L28-E57 HydrophobicContact CD2-CG 3.87Å; Q32-E57 PolarHBondContact NE2-OE1 3.39Å; Q32-E57 PolarHBondContact NE2-OE2 2.85Å; L53-E57 WeakPolarHBondContact O-CB 3.45Å; L53-E57 PolarHBondContact O-N 2.91Å; G55-E57 VanDerWaalsContact C-N 3.34Å; G55-E57 PolarHBondContact O-N 3.22Å; E57-R59 VanDerWaalsContact C-N 3.3Å; E57-R59 PolarHBondContact O-N 2.99Å; E57-T60 WeakPolarHBondContact O-CB 2.77Å; E57-T60 PolarHBondContact O-N 2.86Å; E57-I61 HydrophobicContact CG-CD1 4.37Å; E57-I61 WeakPolarHBondContact O-CG1 3.48Å; E57-I61 PolarHBondContact O-N 2.63Å; E57-L116 HydrophobicContact CG-CD2 3.88Å; E57-L116 WeakPolarHBondContact OE1-CD2 3.38Å; E57-R119 IonicContact OE1-CZ 3.5Å; E57-R119 IonicContact OE1-NE 2.82Å; E57-R119 IonicContact OE1-NH1 2.99Å; E57-R119 PolarHBondContact OE1-NH1 3.16Å; E57-R119 IonicContact OE2-NH1 3.77Å |
| 58 | Y | 56.5 | Low | 50.2 | Low | 92 Ų | 92 | 61.9 Ų | 61.9 | 36% | 0.361 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.1 | -43.7 | 175.8 | -179.4 | -96.3 | 0 | 0 | 0 | 110.7 | D54 T60 I61 Q62 L123 | D54-Y58 WeakPolarHBondContact O-CA 3.49Å; D54-Y58 WeakPolarHBondContact O-CB 3.33Å; D54-Y58 PolarHBondContact O-N 2.6Å; Y58-T60 VanDerWaalsContact C-N 3.26Å; Y58-T60 PolarHBondContact O-N 2.91Å; Y58-I61 PolarHBondContact O-N 2.85Å; Y58-Q62 HydrophobicContact CE1-CB 4.43Å; Y58-Q62 VanDerWaalsContact CE1-OE1 3.3Å; Y58-Q62 WeakPolarHBondContact O-CA 3.43Å; Y58-Q62 WeakPolarHBondContact O-CB 3.48Å; Y58-Q62 PolarHBondContact O-N 2.99Å; Y58-L123 HydrophobicContact CD2-CD1 4.19Å; Y58-L123 HydrophobicContact CE2-CD1 3.89Å; Y58-L123 HydrophobicContact CE2-CD2 3.96Å; Y58-L123 HydrophobicContact CE2-CG 4.42Å |
| 59 | R | 60.5 | Low | 52.5 | Low | 88 Ų | 88 | 54.2 Ų | 54.2 | 33% | 0.332 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.8 | -34.8 | 176.5 | -73.5 | -178.9 | -62.6 | -102 | 10.4 | 112 | G55 E57 A63 D365 F367 | G55-R59 VanDerWaalsContact CA-NH1 3.3Å; G55-R59 WeakPolarHBondContact O-CB 3.35Å; G55-R59 WeakPolarHBondContact O-CG 3.22Å; G55-R59 VanDerWaalsContact O-CZ 3.31Å; G55-R59 PolarHBondContact O-N 2.81Å; G55-R59 PolarHBondContact O-NE 2.96Å; E57-R59 VanDerWaalsContact C-N 3.3Å; E57-R59 PolarHBondContact O-N 2.99Å; R59-A63 WeakPolarHBondContact O-CB 3.3Å; R59-A63 PolarHBondContact O-N 3.28Å; R59-D365 IonicContact NH2-OD1 3.45Å; R59-D365 PolarHBondContact NH2-OD1 3.28Å; R59-D365 IonicContact NH2-OD2 3.37Å; R59-F367 HydrophobicContact CB-CD1 4.45Å; R59-F367 HydrophobicContact CB-CE1 3.46Å; R59-F367 VanDerWaalsContact CB-CE1 3.46Å; R59-F367 HydrophobicContact CB-CZ 3.81Å; R59-F367 HydrophobicContact CG-CE1 4.34Å |
| 60 | T | 58.7 | Low | 54.8 | Low | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.3 | -50.9 | 176 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | L28 A56 E57 Y58 Q62 A63 N64 I358 | L28-T60 HydrophobicContact CD1-CG2 3.4Å; A56-T60 WeakPolarHBondContact O-CB 3.42Å; A56-T60 PolarHBondContact O-N 2.88Å; A56-T60 PolarHBondContact O-OG1 3.16Å; E57-T60 WeakPolarHBondContact O-CB 2.77Å; E57-T60 PolarHBondContact O-N 2.86Å; Y58-T60 VanDerWaalsContact C-N 3.26Å; Y58-T60 PolarHBondContact O-N 2.91Å; T60-Q62 VanDerWaalsContact C-N 3.28Å; T60-Q62 PolarHBondContact O-N 3.21Å; T60-A63 PolarHBondContact O-N 3.26Å; T60-N64 PolarHBondContact O-N 3.19Å; T60-N64 VanDerWaalsContact O-N 3.09Å; T60-N64 PolarHBondContact O-ND2 3.16Å; T60-I358 HydrophobicContact CG2-CD1 3.55Å; T60-I358 HydrophobicContact CG2-CG2 4.27Å |
| 61 | I | 62.6 | Low | 57.4 | Low | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.9 | -41.8 | 176.2 | -61.9 | 173.7 | 0 | 0 | 0 | 110.1 | L28 E57 Y58 A63 N64 C65 L116 R119 A120 L123 | L28-I61 HydrophobicContact CD2-CD1 4.29Å; L28-I61 HydrophobicContact CD2-CG1 4.07Å; E57-I61 HydrophobicContact CG-CD1 4.37Å; E57-I61 WeakPolarHBondContact O-CG1 3.48Å; E57-I61 PolarHBondContact O-N 2.63Å; Y58-I61 PolarHBondContact O-N 2.85Å; I61-A63 PolarHBondContact O-N 3.19Å; I61-N64 PolarHBondContact O-N 3.2Å; I61-C65 HydrophobicContact CG2-CB 4.47Å; I61-C65 WeakPolarHBondContact O-CB 3.28Å; I61-C65 PolarHBondContact O-N 3.48Å; I61-L116 HydrophobicContact CD1-CD2 4.12Å; I61-R119 HydrophobicContact CD1-CB 4.1Å; I61-A120 VanDerWaalsContact CG2-CA 3.47Å; I61-A120 HydrophobicContact CG2-CB 3.75Å; I61-L123 HydrophobicContact CB-CD1 4.16Å; I61-L123 HydrophobicContact CG2-CD1 3.57Å |
| 62 | Q | 55.8 | Low | 60.2 | Low | 68 Ų | 68 | 32.3 Ų | 32.3 | 32% | 0.318 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61 | -44.8 | 177 | -173 | -177.6 | 5.3 | 0 | 0 | 111.5 | Y58 T60 N64 T66 | Y58-Q62 HydrophobicContact CE1-CB 4.43Å; Y58-Q62 VanDerWaalsContact CE1-OE1 3.3Å; Y58-Q62 WeakPolarHBondContact O-CA 3.43Å; Y58-Q62 WeakPolarHBondContact O-CB 3.48Å; Y58-Q62 PolarHBondContact O-N 2.99Å; T60-Q62 VanDerWaalsContact C-N 3.28Å; T60-Q62 PolarHBondContact O-N 3.21Å; Q62-N64 PolarHBondContact O-N 2.75Å; Q62-T66 HydrophobicContact CB-CG2 4.41Å; Q62-T66 HydrophobicContact CG-CG2 3.8Å; Q62-T66 PolarHBondContact O-N 2.8Å; Q62-T66 PolarHBondContact O-OG1 3.47Å |
| 63 | A | 54.3 | Low | 62.7 | Low | 14 Ų | 14 | 31 Ų | 31 | 12% | 0.116 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -32.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R59 T60 I61 G69 I70 F373 | R59-A63 WeakPolarHBondContact O-CB 3.3Å; R59-A63 PolarHBondContact O-N 3.28Å; T60-A63 PolarHBondContact O-N 3.26Å; I61-A63 PolarHBondContact O-N 3.19Å; A63-G69 CarbonylContact O-C 3.49Å; A63-G69 WeakPolarHBondContact O-CA 3.31Å; A63-I70 PolarHBondContact O-N 2.75Å; A63-F373 HydrophobicContact CB-CE2 4.13Å; A63-F373 HydrophobicContact CB-CZ 4.04Å; A63-F373 WeakPolarHBondContact O-CZ 3.17Å |
| 64 | N | 59.8 | Low | 65 | Low | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -86.5 | -45 | -178.4 | -70.4 | -46.4 | 0 | 0 | 0 | 113.6 | T60 I61 Q62 I70 G71 Y72 L339 I358 F373 | T60-N64 PolarHBondContact O-N 3.19Å; T60-N64 VanDerWaalsContact O-N 3.09Å; T60-N64 PolarHBondContact O-ND2 3.16Å; I61-N64 PolarHBondContact O-N 3.2Å; Q62-N64 PolarHBondContact O-N 2.75Å; N64-I70 CarbonylContact O-C 3.57Å; N64-G71 PolarHBondContact O-N 2.66Å; N64-Y72 HydrophobicContact CB-CD2 4.05Å; N64-Y72 HydrophobicContact CB-CE2 4.42Å; N64-Y72 HydrophobicContact CB-CG 4.4Å; N64-Y72 PolarHBondContact O-N 3.06Å; N64-L339 HydrophobicContact CB-CD1 4.42Å; N64-L339 VanDerWaalsContact ND2-CD1 3.31Å; N64-L339 WeakPolarHBondContact ND2-CD1 3.44Å; N64-I358 WeakPolarHBondContact ND2-CD1 3.49Å; N64-F373 WeakPolarHBondContact OD1-CE2 3.19Å |
| 65 | C | 56.7 | Low | 66.8 | Low | 12 Ų | 12 | 25.4 Ų | 25.4 | 8% | 0.081 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -102.9 | -19.6 | -162.7 | -60.2 | 0 | 0 | 0 | 0 | 115 | I61 L123 A124 | I61-C65 HydrophobicContact CG2-CB 4.47Å; I61-C65 WeakPolarHBondContact O-CB 3.28Å; I61-C65 PolarHBondContact O-N 3.48Å; C65-L123 HydrophobicContact CB-CB 4.44Å; C65-A124 HydrophobicContact CB-CB 4.42Å; C65-A124 WeakPolarHBondContact O-CA 3.04Å |
| 66 | T | 57.2 | Low | 68.7 | Low | 13 Ų | 13 | 24.9 Ų | 24.9 | 8% | 0.08 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -84.9 | 163.5 | -174 | 64.1 | 0 | 0 | 0 | 0 | 114.1 | Q62 T68 G69 L123 | Q62-T66 HydrophobicContact CB-CG2 4.41Å; Q62-T66 HydrophobicContact CG-CG2 3.8Å; Q62-T66 PolarHBondContact O-N 2.8Å; Q62-T66 PolarHBondContact O-OG1 3.47Å; T66-T68 PolarHBondContact O-N 2.93Å; T66-T68 PolarHBondContact OG1-OG1 2.95Å; T66-G69 CarbonylContact O-C 3.56Å; T66-G69 WeakPolarHBondContact O-CA 3.41Å; T66-G69 PolarHBondContact O-N 3.46Å; T66-G69 PolarHBondContact OG1-N 2.77Å; T66-G69 VanDerWaalsContact OG1-N 3.09Å; T66-L123 HydrophobicContact CG2-CB 3.89Å; T66-L123 HydrophobicContact CG2-CD2 4.04Å; T66-L123 HydrophobicContact CG2-CG 4.46Å |
| 67 | G | 53.7 | Low | 70.8 | Confident | 33 Ų | 33 | 24.5 Ų | 24.5 | 34% | 0.34 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -24.7 | 170 | 0 | 0 | 0 | 0 | 0 | 113.9 | K381 | G67-K381 PolarHBondContact O-NZ 3.29Š|
| 68 | T | 67.5 | Low | 72.7 | Confident | 121 Ų | 121 | 23.8 Ų | 23.8 | 74% | 0.742 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -16.2 | 170.1 | 46.3 | 0 | 0 | 0 | 0 | 113.6 | T66 | T66-T68 PolarHBondContact O-N 2.93Å; T66-T68 PolarHBondContact OG1-OG1 2.95Å |
| 69 | G | 79.9 | Confident | 74.7 | Confident | 9 Ų | 9 | 19.5 Ų | 19.5 | 9% | 0.093 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -150.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | A63 T66 K381 | A63-G69 CarbonylContact O-C 3.49Å; A63-G69 WeakPolarHBondContact O-CA 3.31Å; T66-G69 CarbonylContact O-C 3.56Å; T66-G69 WeakPolarHBondContact O-CA 3.41Å; T66-G69 PolarHBondContact O-N 3.46Å; T66-G69 PolarHBondContact OG1-N 2.77Å; T66-G69 VanDerWaalsContact OG1-N 3.09Å; G69-K381 PolarHBondContact O-NZ 2.92Å |
| 70 | I | 82.6 | Confident | 76.4 | Confident | 12 Ų | 12 | 15.4 Ų | 15.4 | 6% | 0.062 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 0.7 | 178.8 | 61.1 | 174.3 | 0 | 0 | 0 | 114.5 | A63 N64 Y72 F373 S380 K381 | A63-I70 PolarHBondContact O-N 2.75Å; N64-I70 CarbonylContact O-C 3.57Å; I70-Y72 HydrophobicContact CD1-CD1 3.93Å; I70-Y72 HydrophobicContact CD1-CE1 3.24Å; I70-Y72 HydrophobicContact CG1-CD1 3.88Å; I70-Y72 HydrophobicContact CG1-CE1 3.73Å; I70-F373 HydrophobicContact CB-CZ 4.32Å; I70-F373 HydrophobicContact CD1-CD1 4.43Å; I70-F373 HydrophobicContact CD1-CD2 3.89Å; I70-F373 HydrophobicContact CD1-CE1 4.1Å; I70-F373 HydrophobicContact CD1-CE2 3.59Å; I70-F373 HydrophobicContact CD1-CG 4.31Å; I70-F373 HydrophobicContact CD1-CZ 3.68Å; I70-F373 HydrophobicContact CG1-CE1 4.4Å; I70-F373 HydrophobicContact CG1-CE2 4.06Å; I70-F373 HydrophobicContact CG1-CZ 3.8Å; I70-F373 HydrophobicContact CG2-CD1 4.33Å; I70-F373 HydrophobicContact CG2-CE1 3.45Å; I70-F373 VanDerWaalsContact CG2-CE1 3.45Å; I70-F373 HydrophobicContact CG2-CZ 3.63Å; I70-S380 CarbonylContact O-C 3.44Å; I70-S380 VanDerWaalsContact O-CB 3.3Å; I70-S380 WeakPolarHBondContact O-CB 3.48Å; I70-S380 PolarHBondContact O-OG 3.39Å; I70-S380 VanDerWaalsContact O-OG 3.09Å; I70-K381 WeakPolarHBondContact O-CA 3.35Å; I70-K381 PolarHBondContact O-N 3.19Å |
| 71 | G | 84.9 | Confident | 78.2 | Confident | 7 Ų | 7 | 15.5 Ų | 15.5 | 7% | 0.072 | 10% | 0.1 | C | C | . | . | trans | 67.3 | 40.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N64 R126 | N64-G71 PolarHBondContact O-N 2.66Å; G71-R126 PolarHBondContact O-NH1 2.91Å; G71-R126 VanDerWaalsContact O-NH1 3.12Å | ||
| 72 | Y | 85.6 | Confident | 79.8 | Confident | 7 Ų | 7 | 15.4 Ų | 15.4 | 3% | 0.027 | 10% | 0.1 | C | C | . | . | trans | -54.1 | 139.1 | 171.9 | -78.6 | 8.2 | 0 | 0 | 0 | 111.7 | N64 I70 L339 L376 | N64-Y72 HydrophobicContact CB-CD2 4.05Å; N64-Y72 HydrophobicContact CB-CE2 4.42Å; N64-Y72 HydrophobicContact CB-CG 4.4Å; N64-Y72 PolarHBondContact O-N 3.06Å; I70-Y72 HydrophobicContact CD1-CD1 3.93Å; I70-Y72 HydrophobicContact CD1-CE1 3.24Å; I70-Y72 HydrophobicContact CG1-CD1 3.88Å; I70-Y72 HydrophobicContact CG1-CE1 3.73Å; Y72-L339 HydrophobicContact CD2-CD1 4.11Å; Y72-L339 HydrophobicContact CE2-CD1 3.7Å; Y72-L376 WeakPolarHBondContact OH-CD1 3.44Å | ||
| 73 | N | 86.1 | Confident | 81.5 | Confident | 3 Ų | 3 | 12.4 Ų | 12.4 | 2% | 0.016 | 9% | 0.086 | C | C | . | . | trans | -130.6 | 10.5 | -178.5 | 80.2 | -39.7 | 0 | 0 | 0 | 113.4 | S19 I20 M21 R126 V128 S129 | S19-N73 PolarHBondContact OG-ND2 3.09Å; I20-N73 PolarHBondContact O-OD1 3.23Å; I20-N73 VanDerWaalsContact O-OD1 3.12Å; M21-N73 PolarHBondContact O-N 2.97Å; N73-R126 HydrophobicContact CB-CB 4.46Å; N73-V128 CarbonylContact O-C 3.5Å; N73-V128 VanDerWaalsContact O-CA 3.28Å; N73-V128 WeakPolarHBondContact O-CA 3.43Å; N73-S129 PolarHBondContact O-N 3.19Å | ||
| 74 | I | 87.8 | Confident | 83.3 | Confident | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 145.5 | 172.1 | -60.1 | 173.6 | 0 | 0 | 0 | 107.3 | A22 S129 F293 | A22-I74 WeakPolarHBondContact CA-O 3.33Å; A22-I74 HydrophobicContact CB-CB 3.37Å; A22-I74 HydrophobicContact CB-CG2 3.5Å; A22-I74 WeakPolarHBondContact CB-O 3.36Å; I74-S129 CarbonylContact C-O 3.37Å; I74-S129 VanDerWaalsContact CA-O 3.24Å; I74-S129 WeakPolarHBondContact CA-O 3.44Å; I74-F293 HydrophobicContact CD1-CE2 3.6Å; I74-F293 HydrophobicContact CD1-CZ 3.63Å; I74-F293 HydrophobicContact CG2-CZ 4.43Å |
| 75 | I | 89.4 | Confident | 84.7 | Confident | 9 Ų | 9 | 12.3 Ų | 12.3 | 5% | 0.046 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 124.2 | 167.9 | -63.9 | 172.4 | 0 | 0 | 0 | 107.4 | L25 V77 I117 A120 V128 S129 L130 L131 | L25-I75 HydrophobicContact CD1-CD1 4.38Å; L25-I75 HydrophobicContact CD1-CG2 3.55Å; L25-I75 HydrophobicContact CG-CG2 3.82Å; I75-V77 HydrophobicContact CG2-CG2 4.01Å; I75-I117 HydrophobicContact CD1-CG2 4.5Å; I75-I117 HydrophobicContact CG2-CG1 4.45Å; I75-A120 HydrophobicContact CD1-CB 3.77Å; I75-V128 HydrophobicContact CB-CG1 4.48Å; I75-V128 HydrophobicContact CD1-CG1 3.83Å; I75-V128 HydrophobicContact CG1-CG1 3.76Å; I75-S129 PolarHBondContact N-O 3.39Å; I75-L130 HydrophobicContact CB-CD2 3.8Å; I75-L130 HydrophobicContact CD1-CD2 4.25Å; I75-L130 HydrophobicContact CG1-CD2 4.45Å; I75-L130 HydrophobicContact CG2-CD2 4.39Å; I75-L130 WeakPolarHBondContact O-CA 3.44Å; I75-L131 PolarHBondContact O-N 3.31Å |
| 76 | W | 92.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 131 | 173.4 | -170 | 89.2 | 0 | 0 | 0 | 110.4 | S24 L25 P78 L131 S133 W135 T335 W337 | S24-W76 VanDerWaalsContact OG-CE3 3.26Å; S24-W76 PolarHBondContact OG-O 3.02Å; L25-W76 PolarHBondContact N-O 2.95Å; W76-P78 HydrophobicContact CE3-CG 4.33Å; W76-P78 HydrophobicContact CZ3-CG 4Å; W76-L131 CarbonylContact C-O 3.14Å; W76-L131 WeakPolarHBondContact CA-O 3.28Å; W76-S133 VanDerWaalsContact CZ2-CB 3.42Å; W76-S133 WeakPolarHBondContact CZ2-OG 3.33Å; W76-S133 PolarHBondContact NE1-OG 2.81Å; W76-W135 HydrophobicContact CE3-CH2 4.41Å; W76-W135 AromaticContact CH2-CH2 2.91Å; W76-W135 HydrophobicContact CH2-CH2 2.91Å; W76-W135 AromaticContact CH2-CZ2 3.11Å; W76-W135 HydrophobicContact CH2-CZ2 3.11Å; W76-W135 AromaticContact CH2-CZ3 3.8Å; W76-W135 HydrophobicContact CH2-CZ3 3.8Å; W76-W135 AromaticContact CZ2-CH2 3.94Å; W76-W135 HydrophobicContact CZ2-CH2 3.94Å; W76-W135 HydrophobicContact CZ2-CZ2 4.22Å; W76-W135 HydrophobicContact CZ2-CZ3 4.49Å; W76-W135 AromaticContact CZ3-CH2 3.2Å; W76-W135 HydrophobicContact CZ3-CH2 3.2Å; W76-W135 AromaticContact CZ3-CZ2 3.59Å; W76-W135 HydrophobicContact CZ3-CZ2 3.59Å; W76-W135 HydrophobicContact CZ3-CZ3 4.27Å; W76-T335 HydrophobicContact CB-CG2 3.97Å; W76-W337 HydrophobicContact CD2-CZ3 4.26Å; W76-W337 HydrophobicContact CE3-CE3 4.31Å; W76-W337 AromaticContact CE3-CZ3 3.85Å; W76-W337 HydrophobicContact CE3-CZ3 3.85Å; W76-W337 HydrophobicContact CH2-CE3 4.13Å; W76-W337 AromaticContact CH2-CH2 3.07Å; W76-W337 HydrophobicContact CH2-CH2 3.07Å; W76-W337 HydrophobicContact CH2-CZ2 4.19Å; W76-W337 AromaticContact CH2-CZ3 2.99Å; W76-W337 HydrophobicContact CH2-CZ3 2.99Å; W76-W337 AromaticContact CZ2-CH2 3.91Å; W76-W337 HydrophobicContact CZ2-CH2 3.91Å; W76-W337 AromaticContact CZ2-CZ3 3.6Å; W76-W337 HydrophobicContact CZ2-CZ3 3.6Å; W76-W337 AromaticContact CZ3-CE3 3.88Å; W76-W337 HydrophobicContact CZ3-CE3 3.88Å; W76-W337 AromaticContact CZ3-CH2 3.46Å; W76-W337 HydrophobicContact CZ3-CH2 3.46Å; W76-W337 VanDerWaalsContact CZ3-CH2 3.46Å; W76-W337 HydrophobicContact CZ3-CZ2 4.32Å; W76-W337 AromaticContact CZ3-CZ3 3.15Å; W76-W337 HydrophobicContact CZ3-CZ3 3.15Å |
| 77 | V | 96.2 | Very high | 87.9 | Confident | 2 Ų | 2 | 19.9 Ų | 19.9 | 1% | 0.012 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 113.7 | -170.7 | -173.8 | 0 | 0 | 0 | 0 | 109.6 | I75 M79 I117 L131 A132 S133 Y176 F183 | I75-V77 HydrophobicContact CG2-CG2 4.01Å; V77-M79 PolarHBondContact O-N 3.47Å; V77-I117 HydrophobicContact CG1-CD1 4.36Å; V77-I117 HydrophobicContact CG2-CD1 3.78Å; V77-L131 PolarHBondContact N-O 3.27Å; V77-A132 VanDerWaalsContact O-CA 3.24Å; V77-A132 WeakPolarHBondContact O-CA 3.18Å; V77-A132 WeakPolarHBondContact O-CB 3.46Å; V77-S133 PolarHBondContact O-N 3.45Å; V77-Y176 HydrophobicContact CG1-CE1 4.07Å; V77-F183 HydrophobicContact CB-CE1 3.99Å; V77-F183 HydrophobicContact CB-CZ 4.23Å; V77-F183 HydrophobicContact CG1-CZ 4.38Å; V77-F183 HydrophobicContact CG2-CE1 4.07Å; V77-F183 HydrophobicContact CG2-CZ 4.35Å |
| 78 | P | 97.5 | Very high | 89.9 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 3% | 0.026 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 136.6 | 171.9 | -26.4 | 29.8 | 0 | 0 | 0 | 113.2 | T26 W76 A80 K113 W135 | T26-P78 HydrophobicContact CG2-CG 3.95Å; T26-P78 WeakPolarHBondContact OG1-CG 3.22Å; W76-P78 HydrophobicContact CE3-CG 4.33Å; W76-P78 HydrophobicContact CZ3-CG 4Å; P78-A80 PolarHBondContact O-N 3.28Å; P78-K113 PolarHBondContact O-NZ 3.15Å; P78-W135 HydrophobicContact CB-CE3 4.44Å; P78-W135 HydrophobicContact CB-CH2 3.39Å; P78-W135 HydrophobicContact CB-CZ3 3.26Å; P78-W135 HydrophobicContact CG-CH2 3.63Å; P78-W135 HydrophobicContact CG-CZ3 4.05Å |
| 79 | M | 98.5 | Very high | 91.3 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.01 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 100.8 | 164.1 | -59.3 | 175.2 | 65.3 | 0 | 0 | 109.2 | V77 Y91 A132 S133 P134 Y168 I169 F172 | V77-M79 PolarHBondContact O-N 3.47Å; M79-Y91 HydrophobicContact CB-CE2 4.3Å; M79-A132 HydrophobicContact CG-CB 3.92Å; M79-A132 HydrophobicContact SD-CB 4.25Å; M79-S133 PolarHBondContact N-O 3.07Å; M79-P134 HydrophobicContact CB-CB 3.97Å; M79-P134 HydrophobicContact SD-CB 4.08Å; M79-P134 HydrophobicContact SD-CG 4.07Å; M79-Y168 HydrophobicContact CE-CD1 4.42Å; M79-Y168 HydrophobicContact CE-CE1 4.36Å; M79-I169 HydrophobicContact CE-CB 4.14Å; M79-I169 HydrophobicContact CE-CG1 3.8Å; M79-I169 HydrophobicContact CE-CG2 4.18Å; M79-F172 HydrophobicContact CE-CB 3.62Å; M79-F172 HydrophobicContact CE-CD1 3.51Å; M79-F172 HydrophobicContact CE-CD2 4.35Å; M79-F172 HydrophobicContact CE-CE1 4.25Å; M79-F172 HydrophobicContact CE-CG 3.56Å; M79-F172 HydrophobicContact CG-CD1 4.02Å; M79-F172 HydrophobicContact CG-CD2 4.24Å; M79-F172 HydrophobicContact CG-CE1 3.83Å; M79-F172 HydrophobicContact CG-CE2 4.02Å; M79-F172 HydrophobicContact CG-CG 4.21Å; M79-F172 HydrophobicContact CG-CZ 3.8Å; M79-F172 HydrophobicContact SD-CD1 4.02Å; M79-F172 HydrophobicContact SD-CE1 4.18Å; M79-F172 HydrophobicContact SD-CG 4.46Å |
| 80 | A | 97.8 | Very high | 92.2 | Very high | 3 Ų | 3 | 17.5 Ų | 17.5 | 3% | 0.025 | 9% | 0.091 | C | C | . | . | S | Bend | trans | 67.2 | -142 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P78 Y89 Y91 | P78-A80 PolarHBondContact O-N 3.28Å; A80-Y89 HydrophobicContact CB-CD2 3.92Å; A80-Y89 HydrophobicContact CB-CE2 3.73Å; A80-Y89 WeakPolarHBondContact CB-O 3.42Å; A80-Y91 HydrophobicContact CB-CD1 4Å; A80-Y91 HydrophobicContact CB-CD2 4.38Å; A80-Y91 HydrophobicContact CB-CE1 3.73Å; A80-Y91 HydrophobicContact CB-CE2 4.12Å; A80-Y91 HydrophobicContact CB-CG 4.32Å; A80-Y91 PolarHBondContact N-OH 2.99Å |
| 81 | S | 96.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | trans | -85.4 | 153 | -173.9 | 66.5 | 0 | 0 | 0 | 0 | 114.4 | S85 Y89 Q203 | S81-S85 WeakPolarHBondContact CA-OG 3.3Å; S81-Y89 WeakPolarHBondContact CB-O 3.39Å; S81-Y89 PolarHBondContact N-O 3.33Å; S81-Y89 PolarHBondContact OG-N 3.43Å; S81-Y89 PolarHBondContact OG-O 3.09Å; S81-Q203 VanDerWaalsContact CB-NE2 3.3Å; S81-Q203 PolarHBondContact OG-NE2 3.49Å | ||
| 82 | C | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -135.4 | -166.3 | 169.4 | 66.7 | 0 | 0 | 0 | 0 | 111.4 | T26 F84 S85 W135 Q203 W349 | T26-C82 VanDerWaalsContact CG2-SG 3.57Å; C82-F84 PolarHBondContact SG-N 3.18Å; C82-S85 PolarHBondContact N-OG 3.01Å; C82-S85 VanDerWaalsContact O-CB 3.26Å; C82-S85 WeakPolarHBondContact O-CB 3.12Å; C82-S85 PolarHBondContact O-N 2.98Å; C82-S85 PolarHBondContact O-OG 3.24Å; C82-W135 HydrophobicContact CB-CD2 3.36Å; C82-W135 HydrophobicContact CB-CE3 3.71Å; C82-W135 HydrophobicContact CB-CG 3.91Å; C82-W135 HydrophobicContact CB-CH2 3.56Å; C82-W135 HydrophobicContact CB-CZ2 3.13Å; C82-W135 HydrophobicContact CB-CZ3 3.87Å; C82-Q203 VanDerWaalsContact C-CD 3.5Å; C82-Q203 VanDerWaalsContact C-NE2 3.32Å; C82-Q203 VanDerWaalsContact C-OE1 3.31Å; C82-Q203 PolarHBondContact O-NE2 3.42Å; C82-Q203 PolarHBondContact O-OE1 2.67Å; C82-W349 PolarHBondContact O-NE1 2.99Å | ||
| 83 | D | 91.2 | Very high | 93.9 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.021 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -39.1 | 174.6 | 66.4 | -37.9 | 0 | 0 | 0 | 112.3 | S85 F202 N348 W349 V350 N352 | D83-S85 PolarHBondContact O-N 2.93Å; D83-F202 HydrophobicContact CB-CB 3.86Å; D83-F202 HydrophobicContact CB-CD1 3.99Å; D83-F202 HydrophobicContact CB-CD2 3.78Å; D83-F202 HydrophobicContact CB-CE1 4.45Å; D83-F202 HydrophobicContact CB-CE2 4.24Å; D83-F202 HydrophobicContact CB-CG 3.62Å; D83-N348 VanDerWaalsContact C-ND2 3.28Å; D83-N348 WeakPolarHBondContact O-CA 3.43Å; D83-N348 PolarHBondContact O-ND2 3.34Å; D83-N348 PolarHBondContact O-OD1 3.31Å; D83-N348 PolarHBondContact OD2-ND2 2.99Å; D83-W349 VanDerWaalsContact O-CD1 3.25Å; D83-W349 PolarHBondContact O-N 3.42Å; D83-W349 VanDerWaalsContact O-N 3.14Å; D83-V350 HydrophobicContact CB-CG2 3.9Å; D83-N352 PolarHBondContact OD2-ND2 2.83Å |
| 84 | F | 91.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 43.2 | 167.5 | -71.1 | -87 | 0 | 0 | 0 | 112.2 | T26 L30 C82 W337 N338 L341 N348 N352 V354 | T26-F84 HydrophobicContact CG2-CB 3.59Å; T26-F84 WeakPolarHBondContact CG2-O 3.39Å; L30-F84 HydrophobicContact CD1-CB 3.97Å; L30-F84 HydrophobicContact CD1-CD1 4.46Å; L30-F84 WeakPolarHBondContact CD1-O 3.29Å; C82-F84 PolarHBondContact SG-N 3.18Å; F84-W337 AromaticContact CD2-NE1 3.5Å; F84-W337 AromaticContact CE2-CD1 3.97Å; F84-W337 AromaticContact CE2-NE1 3.5Å; F84-N338 WeakPolarHBondContact CD1-ND2 3.27Å; F84-N338 WeakPolarHBondContact CD2-ND2 3.46Å; F84-N338 VanDerWaalsContact CE1-ND2 3.29Å; F84-N338 WeakPolarHBondContact CE1-ND2 3.29Å; F84-N338 WeakPolarHBondContact CE2-ND2 3.48Å; F84-N338 WeakPolarHBondContact CG-ND2 3.37Å; F84-N338 VanDerWaalsContact CZ-ND2 3.35Å; F84-N338 WeakPolarHBondContact CZ-ND2 3.39Å; F84-L341 HydrophobicContact CD1-CD2 3.76Å; F84-L341 HydrophobicContact CE1-CD1 4.06Å; F84-L341 HydrophobicContact CE1-CD2 3.69Å; F84-N348 HydrophobicContact CD1-CB 4.2Å; F84-N348 WeakPolarHBondContact CD2-ND2 3.48Å; F84-N348 HydrophobicContact CE1-CB 4.17Å; F84-N348 WeakPolarHBondContact CE2-ND2 3.28Å; F84-N348 WeakPolarHBondContact CZ-ND2 3.33Å; F84-N352 VanDerWaalsContact CZ-O 3.31Å; F84-N352 WeakPolarHBondContact CZ-O 3.46Å; F84-V354 HydrophobicContact CE1-CG2 4.13Å; F84-V354 HydrophobicContact CE2-CG2 4.16Å; F84-V354 HydrophobicContact CZ-CB 4.33Å; F84-V354 HydrophobicContact CZ-CG1 4.19Å; F84-V354 HydrophobicContact CZ-CG2 3.43Å; F84-V354 VanDerWaalsContact CZ-CG2 3.43Å |
| 85 | S | 89.9 | Confident | 94 | Very high | 12 Ų | 12 | 27.8 Ų | 27.8 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -120.7 | 155.8 | 164.3 | -59.3 | 0 | 0 | 0 | 0 | 108.7 | S81 C82 D83 R87 W349 | S81-S85 WeakPolarHBondContact CA-OG 3.3Å; C82-S85 PolarHBondContact N-OG 3.01Å; C82-S85 VanDerWaalsContact O-CB 3.26Å; C82-S85 WeakPolarHBondContact O-CB 3.12Å; C82-S85 PolarHBondContact O-N 2.98Å; C82-S85 PolarHBondContact O-OG 3.24Å; D83-S85 PolarHBondContact O-N 2.93Å; S85-R87 WeakPolarHBondContact CB-O 3.15Å; S85-W349 VanDerWaalsContact O-CB 3.25Å; S85-W349 WeakPolarHBondContact O-CB 3.39Å; S85-W349 VanDerWaalsContact O-CD1 3.27Å; S85-W349 PolarHBondContact O-N 3.39Å; S85-W349 VanDerWaalsContact O-N 3.14Å |
| 86 | I | 88.2 | Confident | 93.5 | Very high | 82 Ų | 82 | 33.3 Ų | 33.3 | 42% | 0.421 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -88.5 | -15.2 | 173.7 | 58.5 | 172.5 | 0 | 0 | 0 | 113.2 | L30 A33 P347 | L30-I86 HydrophobicContact CD2-CG2 3.8Å; A33-I86 HydrophobicContact CB-CD1 3.82Å; I86-P347 HydrophobicContact CG2-CB 4.07Å; I86-P347 HydrophobicContact CG2-CG 3.98Å |
| 87 | R | 92.9 | Very high | 93.4 | Very high | 103 Ų | 103 | 34.1 Ų | 34.1 | 39% | 0.389 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -139 | 155.6 | 173.7 | 72.5 | 178.9 | -177.4 | 90.4 | 8.5 | 110.3 | S85 Y89 E108 | S85-R87 WeakPolarHBondContact CB-O 3.15Å; R87-Y89 HydrophobicContact CG-CD1 3.94Å; R87-E108 IonicContact CZ-OE1 3.66Å; R87-E108 VanDerWaalsContact CZ-OE1 3.25Å; R87-E108 IonicContact CZ-OE2 3.47Å; R87-E108 IonicContact NE-OE1 2.7Å; R87-E108 PolarHBondContact NE-OE1 3.41Å; R87-E108 IonicContact NE-OE2 2.93Å; R87-E108 IonicContact NH2-OE1 2.91Å; R87-E108 PolarHBondContact NH2-OE1 2.84Å; R87-E108 VanDerWaalsContact NH2-OE1 3.11Å; R87-E108 IonicContact NH2-OE2 3.86Å; R87-E108 PolarHBondContact NH2-OE2 2.89Å |
| 88 | T | 95.8 | Very high | 93.3 | Very high | 86 Ų | 86 | 36 Ų | 36 | 53% | 0.528 | 19% | 0.194 | S | C | . | . | trans | -91.3 | 130.8 | 174.9 | 55.3 | 0 | 0 | 0 | 0 | 109.9 | W349 | T88-W349 HydrophobicContact CG2-CD2 4Å; T88-W349 HydrophobicContact CG2-CE3 4.4Å; T88-W349 HydrophobicContact CG2-CH2 4.08Å; T88-W349 HydrophobicContact CG2-CZ2 3.62Å; T88-W349 HydrophobicContact CG2-CZ3 4.44Å | ||
| 89 | Y | 97.1 | Very high | 93.2 | Very high | 12 Ų | 12 | 41.6 Ų | 41.6 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | trans | -160.5 | 156.6 | 179.2 | 70 | -89.8 | 0 | 0 | 0 | 112.3 | A80 S81 R87 Y91 P106 E108 D109 | A80-Y89 HydrophobicContact CB-CD2 3.92Å; A80-Y89 HydrophobicContact CB-CE2 3.73Å; A80-Y89 WeakPolarHBondContact CB-O 3.42Å; S81-Y89 WeakPolarHBondContact CB-O 3.39Å; S81-Y89 PolarHBondContact N-O 3.33Å; S81-Y89 PolarHBondContact OG-N 3.43Å; S81-Y89 PolarHBondContact OG-O 3.09Å; R87-Y89 HydrophobicContact CG-CD1 3.94Å; Y89-Y91 HydrophobicContact CE2-CE1 4.2Å; Y89-P106 HydrophobicContact CD2-CG 3.72Å; Y89-P106 HydrophobicContact CE2-CG 3.33Å; Y89-E108 HydrophobicContact CE1-CB 4.36Å; Y89-E108 HydrophobicContact CE1-CG 3.99Å; Y89-E108 WeakPolarHBondContact OH-CB 3.48Å; Y89-D109 PolarHBondContact OH-OD2 2.63Å | ||
| 90 | T | 98.3 | Very high | 93.2 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 9% | 0.086 | 22% | 0.22 | C | C | . | . | trans | -122.5 | 175.9 | 163.4 | 81.1 | 0 | 0 | 0 | 0 | 109.8 | A92 D93 T136 | T90-A92 VanDerWaalsContact C-N 3.27Å; T90-A92 PolarHBondContact OG1-N 2.79Å; T90-D93 WeakPolarHBondContact CB-OD1 3.46Å; T90-D93 WeakPolarHBondContact CG2-OD1 3.28Å; T90-D93 PolarHBondContact N-OD1 2.78Å; T90-D93 PolarHBondContact N-OD2 3.36Å; T90-D93 VanDerWaalsContact OG1-CG 3.26Å; T90-D93 PolarHBondContact OG1-OD1 3.25Å; T90-T136 HydrophobicContact CG2-CG2 4.13Å | ||
| 91 | Y | 98.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -80 | -9.4 | 176.1 | -54.6 | -43.6 | 0 | 0 | 0 | 113 | M79 A80 Y89 F103 S104 L105 D109 K113 Y168 F172 | M79-Y91 HydrophobicContact CB-CE2 4.3Å; A80-Y91 HydrophobicContact CB-CD1 4Å; A80-Y91 HydrophobicContact CB-CD2 4.38Å; A80-Y91 HydrophobicContact CB-CE1 3.73Å; A80-Y91 HydrophobicContact CB-CE2 4.12Å; A80-Y91 HydrophobicContact CB-CG 4.32Å; A80-Y91 PolarHBondContact N-OH 2.99Å; Y89-Y91 HydrophobicContact CE2-CE1 4.2Å; Y91-F103 VanDerWaalsContact CB-CE2 3.43Å; Y91-F103 AromaticContact CD2-CE2 3.79Å; Y91-F103 HydrophobicContact CD2-CE2 3.79Å; Y91-F103 AromaticContact CD2-CZ 3.54Å; Y91-F103 HydrophobicContact CD2-CZ 3.54Å; Y91-F103 HydrophobicContact CE2-CZ 4.46Å; Y91-F103 HydrophobicContact CG-CE2 4.04Å; Y91-F103 AromaticContact CG-CZ 3.84Å; Y91-F103 HydrophobicContact CG-CZ 3.84Å; Y91-F103 CarbonylContact O-C 3.26Å; Y91-F103 VanDerWaalsContact O-CA 3.26Å; Y91-F103 WeakPolarHBondContact O-CA 3.47Å; Y91-S104 WeakPolarHBondContact CA-O 3.48Å; Y91-S104 WeakPolarHBondContact CB-O 3.44Å; Y91-S104 WeakPolarHBondContact CD1-O 3.41Å; Y91-S104 PolarHBondContact O-N 3.36Å; Y91-L105 HydrophobicContact CD1-CD2 3.92Å; Y91-L105 HydrophobicContact CD2-CD2 4.37Å; Y91-L105 HydrophobicContact CE1-CD2 3.66Å; Y91-L105 HydrophobicContact CE2-CD2 4.14Å; Y91-L105 HydrophobicContact CG-CD2 4.27Å; Y91-D109 WeakPolarHBondContact CE1-OD2 3.4Å; Y91-D109 PolarHBondContact OH-OD1 3.44Å; Y91-K113 PolarHBondContact OH-NZ 3.46Å; Y91-Y168 WeakPolarHBondContact CB-OH 3.35Å; Y91-Y168 AromaticContact CD2-CE1 3.81Å; Y91-Y168 HydrophobicContact CD2-CE1 3.81Å; Y91-Y168 HydrophobicContact CD2-CE2 4.31Å; Y91-Y168 AromaticContact CD2-CZ 3.48Å; Y91-Y168 VanDerWaalsContact CD2-CZ 3.48Å; Y91-Y168 WeakPolarHBondContact CD2-OH 3.26Å; Y91-Y168 HydrophobicContact CE2-CE1 4.48Å; Y91-Y168 HydrophobicContact CG-CE2 4.48Å; Y91-Y168 AromaticContact CG-CZ 3.94Å; Y91-Y168 VanDerWaalsContact CG-OH 3.31Å; Y91-Y168 PolarHBondContact N-OH 2.9Å; Y91-F172 HydrophobicContact CD2-CD2 4.33Å; Y91-F172 HydrophobicContact CE2-CB 4.35Å; Y91-F172 AromaticContact CE2-CD2 3.43Å; Y91-F172 HydrophobicContact CE2-CD2 3.43Å; Y91-F172 VanDerWaalsContact CE2-CD2 3.43Å; Y91-F172 HydrophobicContact CE2-CE2 4.11Å; Y91-F172 HydrophobicContact CE2-CG 4.25Å; Y91-F172 AromaticContact CZ-CD2 3.98Å |
| 92 | A | 97.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | trans | -142.9 | 52.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T90 T94 L100 F103 P138 Y168 | T90-A92 VanDerWaalsContact C-N 3.27Å; T90-A92 PolarHBondContact OG1-N 2.79Å; A92-T94 PolarHBondContact O-N 2.86Å; A92-L100 HydrophobicContact CB-CD2 3.84Å; A92-F103 HydrophobicContact CB-CD2 4.41Å; A92-P138 HydrophobicContact CB-CG 4.01Å; A92-P138 WeakPolarHBondContact O-CB 3.33Å; A92-Y168 HydrophobicContact CB-CD2 4.07Å; A92-Y168 HydrophobicContact CB-CE2 3.91Å | ||
| 93 | D | 92.6 | Very high | 93.3 | Very high | 87 Ų | 87 | 54 Ų | 54 | 47% | 0.465 | 28% | 0.279 | S | S | . | . | trans | -73.9 | -6.3 | -178.3 | -71.4 | -34.5 | 0 | 0 | 0 | 114.1 | T90 | T90-D93 WeakPolarHBondContact CB-OD1 3.46Å; T90-D93 WeakPolarHBondContact CG2-OD1 3.28Å; T90-D93 PolarHBondContact N-OD1 2.78Å; T90-D93 PolarHBondContact N-OD2 3.36Å; T90-D93 VanDerWaalsContact OG1-CG 3.26Å; T90-D93 PolarHBondContact OG1-OD1 3.25Å | ||
| 94 | T | 91.3 | Very high | 93.6 | Very high | 56 Ų | 56 | 57.4 Ų | 57.4 | 34% | 0.344 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -63.1 | 129.1 | 174.4 | -59.5 | 0 | 0 | 0 | 0 | 110.2 | A92 N102 R140 | A92-T94 PolarHBondContact O-N 2.86Å; T94-N102 HydrophobicContact CG2-CB 4.47Å; T94-N102 WeakPolarHBondContact CG2-ND2 3.32Å; T94-N102 WeakPolarHBondContact OG1-CB 3.46Å; T94-N102 PolarHBondContact OG1-ND2 3.38Å; T94-R140 PolarHBondContact O-NE 3.39Å |
| 95 | P | 84.8 | Confident | 93.9 | Very high | 99 Ų | 99 | 58.5 Ų | 58.5 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 145.2 | 176.8 | -25.9 | 35 | 0 | 0 | 0 | 113 | D97 | P95-D97 PolarHBondContact O-N 2.92Š|
| 96 | D | 78.9 | Confident | 94.2 | Very high | 125 Ų | 125 | 59.3 Ų | 59.3 | 67% | 0.668 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.9 | 15.7 | 173.6 | -56.8 | -36.2 | 0 | 0 | 0 | 117.7 | F98 | D96-F98 VanDerWaalsContact C-N 3.34Å; D96-F98 WeakPolarHBondContact O-CD2 3.31Å; D96-F98 PolarHBondContact O-N 3.12Å |
| 97 | D | 91.8 | Very high | 94.5 | Very high | 16 Ų | 16 | 60.1 Ų | 60.1 | 9% | 0.086 | 32% | 0.316 | C | S | . | . | trans | -81.6 | 70.2 | 177.5 | -175.7 | 18.5 | 0 | 0 | 0 | 113 | P95 Q99 L100 H101 N102 R140 | P95-D97 PolarHBondContact O-N 2.92Å; D97-Q99 PolarHBondContact O-N 2.91Å; D97-Q99 PolarHBondContact OD1-N 2.87Å; D97-L100 PolarHBondContact O-N 3.26Å; D97-L100 WeakPolarHBondContact OD1-CA 3.38Å; D97-L100 PolarHBondContact OD1-N 3.17Å; D97-L100 VanDerWaalsContact OD2-C 3.29Å; D97-L100 VanDerWaalsContact OD2-CA 3.26Å; D97-L100 WeakPolarHBondContact OD2-CA 3.31Å; D97-H101 PolarHBondContact OD1-N 3.09Å; D97-H101 PolarHBondContact OD2-N 2.81Å; D97-N102 WeakPolarHBondContact OD2-CB 3.42Å; D97-N102 PolarHBondContact OD2-N 3.04Å; D97-R140 VanDerWaalsContact O-CZ 3.3Å; D97-R140 PolarHBondContact O-NH2 3.24Å | ||
| 98 | F | 94.3 | Very high | 94.5 | Very high | 41 Ų | 41 | 57.1 Ų | 57.1 | 18% | 0.18 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.1 | 174.6 | -66.8 | -78.8 | 0 | 0 | 0 | 113.5 | D96 L100 L141 I160 Y161 T164 R167 | D96-F98 VanDerWaalsContact C-N 3.34Å; D96-F98 WeakPolarHBondContact O-CD2 3.31Å; D96-F98 PolarHBondContact O-N 3.12Å; F98-L100 VanDerWaalsContact C-N 3.33Å; F98-L141 HydrophobicContact CD1-CD2 4.33Å; F98-L141 HydrophobicContact CE1-CD2 3.98Å; F98-I160 HydrophobicContact CB-CD1 3.93Å; F98-I160 HydrophobicContact CB-CG1 4.23Å; F98-I160 HydrophobicContact CD1-CD1 3.86Å; F98-I160 HydrophobicContact CD1-CG1 3.73Å; F98-I160 HydrophobicContact CD2-CD1 4.16Å; F98-I160 HydrophobicContact CE1-CD1 4.4Å; F98-I160 HydrophobicContact CE1-CG1 4.3Å; F98-I160 HydrophobicContact CE1-CG2 4.25Å; F98-I160 HydrophobicContact CG-CD1 3.72Å; F98-I160 HydrophobicContact CG-CG1 4.06Å; F98-Y161 AromaticContact CE1-CD1 3.77Å; F98-Y161 HydrophobicContact CE1-CD1 3.77Å; F98-Y161 AromaticContact CE1-CE1 3.75Å; F98-Y161 HydrophobicContact CE1-CE1 3.75Å; F98-Y161 HydrophobicContact CZ-CD1 4.31Å; F98-Y161 AromaticContact CZ-CE1 3.81Å; F98-Y161 HydrophobicContact CZ-CE1 3.81Å; F98-T164 HydrophobicContact CD1-CG2 4.42Å; F98-T164 PolarHBondContact O-OG1 3.16Å; F98-R167 PolarHBondContact O-NH2 3.34Å |
| 99 | Q | 95.4 | Very high | 94.4 | Very high | 123 Ų | 123 | 53 Ų | 53 | 58% | 0.575 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -11 | 176.9 | -61 | -58.7 | -26.1 | 0 | 0 | 112.8 | D97 H101 | D97-Q99 PolarHBondContact O-N 2.91Å; D97-Q99 PolarHBondContact OD1-N 2.87Å; Q99-H101 WeakPolarHBondContact CB-NE2 3.36Å; Q99-H101 PolarHBondContact O-N 3Å |
| 100 | L | 97.5 | Very high | 94.3 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 29% | 0.293 | C | S | . | . | trans | 58.9 | 36.7 | -178.1 | -56.2 | 173.9 | 0 | 0 | 0 | 112 | A92 D97 F98 N102 F103 T164 R167 Y168 K171 | A92-L100 HydrophobicContact CB-CD2 3.84Å; D97-L100 PolarHBondContact O-N 3.26Å; D97-L100 WeakPolarHBondContact OD1-CA 3.38Å; D97-L100 PolarHBondContact OD1-N 3.17Å; D97-L100 VanDerWaalsContact OD2-C 3.29Å; D97-L100 VanDerWaalsContact OD2-CA 3.26Å; D97-L100 WeakPolarHBondContact OD2-CA 3.31Å; F98-L100 VanDerWaalsContact C-N 3.33Å; L100-N102 VanDerWaalsContact C-N 3.27Å; L100-F103 HydrophobicContact CB-CB 4.17Å; L100-F103 WeakPolarHBondContact O-CB 3.21Å; L100-F103 PolarHBondContact O-N 3.19Å; L100-T164 HydrophobicContact CD1-CG2 4.38Å; L100-T164 HydrophobicContact CD2-CG2 3.93Å; L100-T164 HydrophobicContact CG-CG2 4.11Å; L100-R167 HydrophobicContact CD1-CB 3.88Å; L100-Y168 HydrophobicContact CD2-CD2 4.29Å; L100-K171 HydrophobicContact CB-CG 4.48Å; L100-K171 HydrophobicContact CD1-CG 4.14Å | ||
| 101 | H | 96.5 | Very high | 93.9 | Very high | 151 Ų | 151 | 58.6 Ų | 58.6 | 70% | 0.699 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -32.2 | 175.6 | -69.1 | 167.2 | 0 | 0 | 0 | 112.1 | D97 Q99 F103 | D97-H101 PolarHBondContact OD1-N 3.09Å; D97-H101 PolarHBondContact OD2-N 2.81Å; Q99-H101 WeakPolarHBondContact CB-NE2 3.36Å; Q99-H101 PolarHBondContact O-N 3Å; H101-F103 VanDerWaalsContact C-N 3.32Å |
| 102 | N | 96.4 | Very high | 93.3 | Very high | 84 Ų | 84 | 59.4 Ų | 59.4 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 15.1 | -178.8 | -66.3 | 27.7 | 0 | 0 | 0 | 111.7 | T94 D97 L100 S104 | T94-N102 HydrophobicContact CG2-CB 4.47Å; T94-N102 WeakPolarHBondContact CG2-ND2 3.32Å; T94-N102 WeakPolarHBondContact OG1-CB 3.46Å; T94-N102 PolarHBondContact OG1-ND2 3.38Å; D97-N102 WeakPolarHBondContact OD2-CB 3.42Å; D97-N102 PolarHBondContact OD2-N 3.04Å; L100-N102 VanDerWaalsContact C-N 3.27Å; N102-S104 PolarHBondContact O-N 2.82Å |
| 103 | F | 98.5 | Very high | 92.8 | Very high | 30 Ų | 30 | 59.7 Ų | 59.7 | 13% | 0.132 | 31% | 0.314 | C | S | . | . | trans | -62.5 | 124.1 | 172.8 | -176 | -78.2 | 0 | 0 | 0 | 109.9 | Y91 A92 L100 H101 Y168 K171 F172 A175 | Y91-F103 VanDerWaalsContact CB-CE2 3.43Å; Y91-F103 AromaticContact CD2-CE2 3.79Å; Y91-F103 HydrophobicContact CD2-CE2 3.79Å; Y91-F103 AromaticContact CD2-CZ 3.54Å; Y91-F103 HydrophobicContact CD2-CZ 3.54Å; Y91-F103 HydrophobicContact CE2-CZ 4.46Å; Y91-F103 HydrophobicContact CG-CE2 4.04Å; Y91-F103 AromaticContact CG-CZ 3.84Å; Y91-F103 HydrophobicContact CG-CZ 3.84Å; Y91-F103 CarbonylContact O-C 3.26Å; Y91-F103 VanDerWaalsContact O-CA 3.26Å; Y91-F103 WeakPolarHBondContact O-CA 3.47Å; A92-F103 HydrophobicContact CB-CD2 4.41Å; L100-F103 HydrophobicContact CB-CB 4.17Å; L100-F103 WeakPolarHBondContact O-CB 3.21Å; L100-F103 PolarHBondContact O-N 3.19Å; H101-F103 VanDerWaalsContact C-N 3.32Å; F103-Y168 AromaticContact CD2-CD2 3.84Å; F103-Y168 HydrophobicContact CD2-CD2 3.84Å; F103-Y168 HydrophobicContact CD2-CE2 4Å; F103-Y168 HydrophobicContact CD2-CG 4.46Å; F103-Y168 HydrophobicContact CE2-CD1 4.31Å; F103-Y168 AromaticContact CE2-CD2 3.71Å; F103-Y168 HydrophobicContact CE2-CD2 3.71Å; F103-Y168 HydrophobicContact CE2-CE1 4.31Å; F103-Y168 AromaticContact CE2-CE2 3.73Å; F103-Y168 HydrophobicContact CE2-CE2 3.73Å; F103-Y168 HydrophobicContact CE2-CG 4.03Å; F103-K171 HydrophobicContact CD1-CB 3.93Å; F103-K171 HydrophobicContact CD2-CB 3.72Å; F103-K171 HydrophobicContact CD2-CG 4.45Å; F103-K171 HydrophobicContact CE1-CB 3.95Å; F103-K171 WeakPolarHBondContact CE1-O 3.45Å; F103-K171 HydrophobicContact CE2-CB 3.71Å; F103-K171 HydrophobicContact CG-CB 3.84Å; F103-K171 HydrophobicContact CG-CG 4.38Å; F103-K171 HydrophobicContact CZ-CB 3.85Å; F103-F172 HydrophobicContact CZ-CB 4.01Å; F103-A175 HydrophobicContact CE1-CB 4.07Å | ||
| 104 | S | 98.2 | Very high | 92.8 | Very high | 75 Ų | 75 | 55.8 Ų | 55.8 | 52% | 0.524 | 29% | 0.293 | S | S | . | . | trans | -153.2 | 151.3 | 175.8 | 56.6 | 0 | 0 | 0 | 0 | 112.5 | Y91 N102 | Y91-S104 WeakPolarHBondContact CA-O 3.48Å; Y91-S104 WeakPolarHBondContact CB-O 3.44Å; Y91-S104 WeakPolarHBondContact CD1-O 3.41Å; Y91-S104 PolarHBondContact O-N 3.36Å; N102-S104 PolarHBondContact O-N 2.82Å | ||
| 105 | L | 98.4 | Very high | 92.8 | Very high | 25 Ų | 25 | 55.6 Ų | 55.6 | 13% | 0.131 | 29% | 0.293 | C | S | . | . | trans | -84.1 | 124.7 | 171.1 | -63.7 | -176.3 | 0 | 0 | 0 | 109.3 | Y91 D109 T110 I114 A175 Y176 | Y91-L105 HydrophobicContact CD1-CD2 3.92Å; Y91-L105 HydrophobicContact CD2-CD2 4.37Å; Y91-L105 HydrophobicContact CE1-CD2 3.66Å; Y91-L105 HydrophobicContact CE2-CD2 4.14Å; Y91-L105 HydrophobicContact CG-CD2 4.27Å; L105-D109 HydrophobicContact CB-CB 3.85Å; L105-D109 HydrophobicContact CD1-CB 4.42Å; L105-D109 HydrophobicContact CD2-CB 4.29Å; L105-D109 HydrophobicContact CG-CB 4.41Å; L105-T110 HydrophobicContact CB-CG2 3.88Å; L105-I114 HydrophobicContact CD1-CD1 3.86Å; L105-A175 HydrophobicContact CD1-CB 3.64Å; L105-A175 HydrophobicContact CD2-CB 4.23Å; L105-A175 HydrophobicContact CG-CB 3.76Å; L105-Y176 HydrophobicContact CD1-CD2 3.76Å; L105-Y176 HydrophobicContact CD1-CE2 3.79Å; L105-Y176 HydrophobicContact CD2-CD2 4.25Å; L105-Y176 HydrophobicContact CD2-CE2 3.92Å | ||
| 106 | P | 96.1 | Very high | 92.8 | Very high | 29 Ų | 29 | 50.9 Ų | 50.9 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | trans | -78.6 | -174 | 177.2 | 33.9 | -36 | 0 | 0 | 0 | 111.8 | Y89 E108 D109 T110 | Y89-P106 HydrophobicContact CD2-CG 3.72Å; Y89-P106 HydrophobicContact CE2-CG 3.33Å; P106-E108 VanDerWaalsContact C-N 3.3Å; P106-E108 WeakPolarHBondContact CB-OE2 3.45Å; P106-E108 PolarHBondContact O-N 2.79Å; P106-D109 PolarHBondContact O-N 2.88Å; P106-D109 VanDerWaalsContact O-N 3.11Å; P106-T110 PolarHBondContact O-N 2.86Å; P106-T110 PolarHBondContact O-OG1 3.33Å | ||
| 107 | E | 94.3 | Very high | 93.3 | Very high | 99 Ų | 99 | 45 Ų | 45 | 46% | 0.463 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.1 | -30.9 | -178 | -58.7 | -158.6 | 164 | 0 | 0 | 113.4 | D109 T110 K111 L112 | E107-D109 PolarHBondContact O-N 2.9Å; E107-T110 WeakPolarHBondContact CA-OG1 3.36Å; E107-T110 PolarHBondContact O-N 3.31Å; E107-K111 HydrophobicContact CB-CD 4.14Å; E107-K111 HydrophobicContact CB-CG 4.27Å; E107-K111 VanDerWaalsContact CD-CE 3.41Å; E107-K111 HydrophobicContact CG-CD 4.23Å; E107-K111 WeakPolarHBondContact O-CA 3.49Å; E107-K111 WeakPolarHBondContact O-CB 3.18Å; E107-K111 PolarHBondContact O-N 2.75Å; E107-K111 WeakPolarHBondContact OE1-CE 3.27Å; E107-K111 IonicContact OE1-NZ 3.77Å; E107-K111 PolarHBondContact OE1-NZ 3.43Å; E107-K111 WeakPolarHBondContact OE2-CE 3.39Å; E107-K111 IonicContact OE2-NZ 2.85Å; E107-K111 PolarHBondContact OE2-NZ 2.85Å; E107-L112 PolarHBondContact O-N 2.77Å |
| 108 | E | 92.3 | Very high | 93.3 | Very high | 40 Ų | 40 | 46.6 Ų | 46.6 | 19% | 0.187 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -57.5 | -32.2 | 173.3 | -70 | 81.4 | 173.2 | 0 | 0 | 111.8 | R87 Y89 P106 L112 K113 | R87-E108 IonicContact CZ-OE1 3.66Å; R87-E108 VanDerWaalsContact CZ-OE1 3.25Å; R87-E108 IonicContact CZ-OE2 3.47Å; R87-E108 IonicContact NE-OE1 2.7Å; R87-E108 PolarHBondContact NE-OE1 3.41Å; R87-E108 IonicContact NE-OE2 2.93Å; R87-E108 IonicContact NH2-OE1 2.91Å; R87-E108 PolarHBondContact NH2-OE1 2.84Å; R87-E108 VanDerWaalsContact NH2-OE1 3.11Å; R87-E108 IonicContact NH2-OE2 3.86Å; R87-E108 PolarHBondContact NH2-OE2 2.89Å; Y89-E108 HydrophobicContact CE1-CB 4.36Å; Y89-E108 HydrophobicContact CE1-CG 3.99Å; Y89-E108 WeakPolarHBondContact OH-CB 3.48Å; P106-E108 VanDerWaalsContact C-N 3.3Å; P106-E108 WeakPolarHBondContact CB-OE2 3.45Å; P106-E108 PolarHBondContact O-N 2.79Å; E108-L112 WeakPolarHBondContact O-CB 3.34Å; E108-K113 WeakPolarHBondContact O-CD 3.11Å; E108-K113 VanDerWaalsContact O-CG 3.22Å; E108-K113 WeakPolarHBondContact O-CG 3.22Å; E108-K113 PolarHBondContact O-N 2.94Å |
| 109 | D | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -84.7 | -56.6 | 175.7 | -74.1 | -93.6 | 0 | 0 | 0 | 110.9 | Y89 Y91 L105 P106 E107 K113 I114 Y176 | Y89-D109 PolarHBondContact OH-OD2 2.63Å; Y91-D109 WeakPolarHBondContact CE1-OD2 3.4Å; Y91-D109 PolarHBondContact OH-OD1 3.44Å; L105-D109 HydrophobicContact CB-CB 3.85Å; L105-D109 HydrophobicContact CD1-CB 4.42Å; L105-D109 HydrophobicContact CD2-CB 4.29Å; L105-D109 HydrophobicContact CG-CB 4.41Å; P106-D109 PolarHBondContact O-N 2.88Å; P106-D109 VanDerWaalsContact O-N 3.11Å; E107-D109 PolarHBondContact O-N 2.9Å; D109-K113 PolarHBondContact O-N 2.81Å; D109-K113 WeakPolarHBondContact OD1-CE 3.39Å; D109-K113 IonicContact OD1-NZ 2.75Å; D109-K113 PolarHBondContact OD1-NZ 2.69Å; D109-K113 IonicContact OD2-NZ 3.79Å; D109-I114 HydrophobicContact CB-CD1 4.47Å; D109-I114 VanDerWaalsContact O-CB 3.28Å; D109-I114 WeakPolarHBondContact O-CB 3.41Å; D109-I114 WeakPolarHBondContact O-CG1 3.25Å; D109-I114 PolarHBondContact O-N 3.49Å; D109-Y176 WeakPolarHBondContact OD1-CE2 3.38Å; D109-Y176 PolarHBondContact OD1-OH 2.98Å |
| 110 | T | 95.6 | Very high | 92.4 | Very high | 48 Ų | 48 | 41.8 Ų | 41.8 | 29% | 0.294 | 21% | 0.214 | S | C | . | . | I | π-helix | trans | -76.7 | -29.4 | -168.4 | 54.9 | 0 | 0 | 0 | 0 | 114.6 | L105 P106 E107 P115 | L105-T110 HydrophobicContact CB-CG2 3.88Å; P106-T110 PolarHBondContact O-N 2.86Å; P106-T110 PolarHBondContact O-OG1 3.33Å; E107-T110 WeakPolarHBondContact CA-OG1 3.36Å; E107-T110 PolarHBondContact O-N 3.31Å; T110-P115 WeakPolarHBondContact O-CD 3.42Å |
| 111 | K | 90.6 | Very high | 91.9 | Very high | 94 Ų | 94 | 44.4 Ų | 44.4 | 41% | 0.409 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -105.5 | -22.1 | -179.6 | -59.9 | -171 | -173.5 | 167 | 0 | 113.6 | W36 E107 | W36-K111 HydrophobicContact CH2-CD 4.37Å; E107-K111 HydrophobicContact CB-CD 4.14Å; E107-K111 HydrophobicContact CB-CG 4.27Å; E107-K111 VanDerWaalsContact CD-CE 3.41Å; E107-K111 HydrophobicContact CG-CD 4.23Å; E107-K111 WeakPolarHBondContact O-CA 3.49Å; E107-K111 WeakPolarHBondContact O-CB 3.18Å; E107-K111 PolarHBondContact O-N 2.75Å; E107-K111 WeakPolarHBondContact OE1-CE 3.27Å; E107-K111 IonicContact OE1-NZ 3.77Å; E107-K111 PolarHBondContact OE1-NZ 3.43Å; E107-K111 WeakPolarHBondContact OE2-CE 3.39Å; E107-K111 IonicContact OE2-NZ 2.85Å; E107-K111 PolarHBondContact OE2-NZ 2.85Å |
| 112 | L | 84.4 | Confident | 91.6 | Very high | 21 Ų | 21 | 44.6 Ų | 44.6 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -111.7 | -71.7 | -179 | -44.3 | 177.4 | 0 | 0 | 0 | 111.3 | L29 Q32 A33 E107 E108 I114 P115 L116 | L29-L112 HydrophobicContact CB-CB 4.38Å; L29-L112 HydrophobicContact CD2-CB 3.38Å; Q32-L112 HydrophobicContact CB-CD2 4.01Å; A33-L112 HydrophobicContact CB-CD1 4.32Å; E107-L112 PolarHBondContact O-N 2.77Å; E108-L112 WeakPolarHBondContact O-CB 3.34Å; L112-I114 PolarHBondContact O-N 3.19Å; L112-P115 WeakPolarHBondContact O-CD 3.34Å; L112-L116 VanDerWaalsContact O-CG 3.25Å; L112-L116 WeakPolarHBondContact O-CG 3.4Å; L112-L116 PolarHBondContact O-N 3.11Å; L112-L116 VanDerWaalsContact O-N 3.14Å |
| 113 | K | 87.4 | Confident | 90.9 | Very high | 7 Ų | 7 | 42.2 Ų | 42.2 | 3% | 0.03 | 22% | 0.215 | C | C | . | . | I | π-helix | trans | -57.5 | -55.4 | -171.4 | -69.5 | 157.3 | 70.8 | -170.4 | 0 | 112.7 | L29 P78 Y91 E108 D109 L116 I117 Y176 | L29-K113 HydrophobicContact CD1-CB 4.37Å; L29-K113 HydrophobicContact CD1-CD 4.05Å; L29-K113 HydrophobicContact CD1-CG 3.21Å; L29-K113 VanDerWaalsContact CD2-CA 3.42Å; L29-K113 HydrophobicContact CD2-CB 4.19Å; L29-K113 HydrophobicContact CD2-CG 3.69Å; L29-K113 HydrophobicContact CG-CG 4.07Å; P78-K113 PolarHBondContact O-NZ 3.15Å; Y91-K113 PolarHBondContact OH-NZ 3.46Å; E108-K113 WeakPolarHBondContact O-CD 3.11Å; E108-K113 VanDerWaalsContact O-CG 3.22Å; E108-K113 WeakPolarHBondContact O-CG 3.22Å; E108-K113 PolarHBondContact O-N 2.94Å; D109-K113 PolarHBondContact O-N 2.81Å; D109-K113 WeakPolarHBondContact OD1-CE 3.39Å; D109-K113 IonicContact OD1-NZ 2.75Å; D109-K113 PolarHBondContact OD1-NZ 2.69Å; D109-K113 IonicContact OD2-NZ 3.79Å; K113-L116 PolarHBondContact O-N 2.85Å; K113-I117 WeakPolarHBondContact O-CD1 3.49Å; K113-I117 WeakPolarHBondContact O-CG1 3.23Å; K113-I117 PolarHBondContact O-N 2.93Å; K113-Y176 VanDerWaalsContact CE-OH 3.24Å; K113-Y176 WeakPolarHBondContact CE-OH 3.41Å; K113-Y176 PolarHBondContact NZ-OH 2.98Å |
| 114 | I | 93.4 | Very high | 90.1 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -49.3 | -172.4 | -71.1 | 165.4 | 0 | 0 | 0 | 111.2 | L105 D109 L112 L116 I117 H118 Y176 H179 L181 | L105-I114 HydrophobicContact CD1-CD1 3.86Å; D109-I114 HydrophobicContact CB-CD1 4.47Å; D109-I114 VanDerWaalsContact O-CB 3.28Å; D109-I114 WeakPolarHBondContact O-CB 3.41Å; D109-I114 WeakPolarHBondContact O-CG1 3.25Å; D109-I114 PolarHBondContact O-N 3.49Å; L112-I114 PolarHBondContact O-N 3.19Å; I114-L116 PolarHBondContact O-N 2.82Å; I114-I117 PolarHBondContact O-N 2.88Å; I114-H118 PolarHBondContact O-CD2 2.89Å; I114-H118 VanDerWaalsContact O-CD2 3.23Å; I114-H118 PolarHBondContact O-N 2.94Å; I114-Y176 HydrophobicContact CD1-CE1 4.33Å; I114-Y176 HydrophobicContact CD1-CE2 4.24Å; I114-Y176 HydrophobicContact CG1-CD1 4.24Å; I114-Y176 HydrophobicContact CG1-CE1 3.77Å; I114-Y176 HydrophobicContact CG1-CE2 4.5Å; I114-H179 HydrophobicContact CD1-CB 4.07Å; I114-H179 HydrophobicContact CG2-CB 3.76Å; I114-L181 HydrophobicContact CB-CD1 4.29Å; I114-L181 HydrophobicContact CG1-CD1 4.01Å; I114-L181 HydrophobicContact CG2-CD1 4.07Å |
| 115 | P | 91.1 | Very high | 89.5 | Confident | 52 Ų | 52 | 45.7 Ų | 45.7 | 34% | 0.338 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.8 | -43 | 174.6 | -29 | 37.8 | 0 | 0 | 0 | 113.8 | T110 L112 H118 R119 | T110-P115 WeakPolarHBondContact O-CD 3.42Å; L112-P115 WeakPolarHBondContact O-CD 3.34Å; P115-H118 PolarHBondContact O-N 2.73Å; P115-R119 WeakPolarHBondContact O-CG 2.99Å; P115-R119 PolarHBondContact O-N 2.86Å |
| 116 | L | 84.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 177.8 | -69 | -167.3 | 0 | 0 | 0 | 112.5 | L25 L28 L29 E57 I61 L112 K113 I114 H118 R119 A120 | L25-L116 HydrophobicContact CD1-CB 4.33Å; L25-L116 HydrophobicContact CD2-CB 4.34Å; L25-L116 HydrophobicContact CD2-CD1 4.38Å; L28-L116 HydrophobicContact CB-CD1 4.14Å; L28-L116 HydrophobicContact CD2-CD1 3.8Å; L28-L116 HydrophobicContact CD2-CD2 4.43Å; L28-L116 HydrophobicContact CG-CD1 4.5Å; L29-L116 HydrophobicContact CD2-CD1 3.38Å; L29-L116 HydrophobicContact CD2-CG 4.08Å; L29-L116 HydrophobicContact CG-CD1 3.96Å; E57-L116 HydrophobicContact CG-CD2 3.88Å; E57-L116 WeakPolarHBondContact OE1-CD2 3.38Å; I61-L116 HydrophobicContact CD1-CD2 4.12Å; L112-L116 VanDerWaalsContact O-CG 3.25Å; L112-L116 WeakPolarHBondContact O-CG 3.4Å; L112-L116 PolarHBondContact O-N 3.11Å; L112-L116 VanDerWaalsContact O-N 3.14Å; K113-L116 PolarHBondContact O-N 2.85Å; I114-L116 PolarHBondContact O-N 2.82Å; L116-H118 VanDerWaalsContact C-N 3.33Å; L116-H118 PolarHBondContact O-N 3.47Å; L116-R119 PolarHBondContact O-N 2.7Å; L116-A120 PolarHBondContact O-N 3.3Å |
| 117 | I | 88.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 175.9 | -66.9 | 162.8 | 0 | 0 | 0 | 109 | L25 I75 V77 K113 I114 R119 A120 L121 L130 Y176 L181 | L25-I117 HydrophobicContact CD1-CB 4.32Å; L25-I117 HydrophobicContact CD1-CD1 4.29Å; L25-I117 HydrophobicContact CD1-CG1 3.28Å; I75-I117 HydrophobicContact CD1-CG2 4.5Å; I75-I117 HydrophobicContact CG2-CG1 4.45Å; V77-I117 HydrophobicContact CG1-CD1 4.36Å; V77-I117 HydrophobicContact CG2-CD1 3.78Å; K113-I117 WeakPolarHBondContact O-CD1 3.49Å; K113-I117 WeakPolarHBondContact O-CG1 3.23Å; K113-I117 PolarHBondContact O-N 2.93Å; I114-I117 PolarHBondContact O-N 2.88Å; I117-R119 VanDerWaalsContact C-N 3.33Å; I117-R119 PolarHBondContact O-N 3.17Å; I117-A120 WeakPolarHBondContact O-CB 3.11Å; I117-A120 PolarHBondContact O-N 3Å; I117-L121 HydrophobicContact CG2-CD1 4.05Å; I117-L121 HydrophobicContact CG2-CG 4.07Å; I117-L121 VanDerWaalsContact O-CG 3.29Å; I117-L121 WeakPolarHBondContact O-CG 3.25Å; I117-L121 PolarHBondContact O-N 2.77Å; I117-L130 HydrophobicContact CG2-CD1 4.04Å; I117-L130 HydrophobicContact CG2-CD2 3.83Å; I117-Y176 HydrophobicContact CD1-CE1 4.11Å; I117-L181 HydrophobicContact CB-CD1 4.08Å; I117-L181 HydrophobicContact CB-CD2 4.44Å; I117-L181 HydrophobicContact CD1-CD1 4.05Å; I117-L181 HydrophobicContact CG2-CD1 3.9Å; I117-L181 HydrophobicContact CG2-CD2 3.59Å; I117-L181 HydrophobicContact CG2-CG 4.4Å |
| 118 | H | 92.7 | Very high | 88.3 | Confident | 51 Ų | 51 | 48 Ų | 48 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.8 | -43.5 | 177.8 | -82.2 | -60.7 | 0 | 0 | 0 | 112.9 | I114 P115 L116 A120 L121 Q122 H179 L181 | I114-H118 PolarHBondContact O-CD2 2.89Å; I114-H118 VanDerWaalsContact O-CD2 3.23Å; I114-H118 PolarHBondContact O-N 2.94Å; P115-H118 PolarHBondContact O-N 2.73Å; L116-H118 VanDerWaalsContact C-N 3.33Å; L116-H118 PolarHBondContact O-N 3.47Å; H118-A120 VanDerWaalsContact C-N 3.34Å; H118-A120 PolarHBondContact O-N 3.21Å; H118-L121 PolarHBondContact O-N 2.94Å; H118-Q122 WeakPolarHBondContact O-CB 3.41Å; H118-Q122 VanDerWaalsContact O-CG 3.22Å; H118-Q122 WeakPolarHBondContact O-CG 3.48Å; H118-Q122 PolarHBondContact O-N 3.07Å; H118-H179 PolarHBondContact CE1-O 2.99Å; H118-H179 VanDerWaalsContact CE1-O 3.25Å; H118-H179 PolarHBondContact NE2-O 2.87Å; H118-L181 VanDerWaalsContact CE1-CD2 3.46Å; H118-L181 WeakPolarHBondContact CE1-CD2 3.24Å |
| 119 | R | 87.3 | Confident | 88.3 | Confident | 61 Ų | 61 | 47.1 Ų | 47.1 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -43.3 | 175 | -68.4 | 178 | 84 | 161.6 | 16.1 | 111.6 | D54 E57 I61 P115 L116 I117 Q122 L123 | D54-R119 IonicContact OD1-CZ 3.67Å; D54-R119 IonicContact OD1-NH1 3.6Å; D54-R119 PolarHBondContact OD1-NH1 3.21Å; D54-R119 IonicContact OD1-NH2 3.37Å; D54-R119 PolarHBondContact OD1-NH2 3.44Å; E57-R119 IonicContact OE1-CZ 3.5Å; E57-R119 IonicContact OE1-NE 2.82Å; E57-R119 IonicContact OE1-NH1 2.99Å; E57-R119 PolarHBondContact OE1-NH1 3.16Å; E57-R119 IonicContact OE2-NH1 3.77Å; I61-R119 HydrophobicContact CD1-CB 4.1Å; P115-R119 WeakPolarHBondContact O-CG 2.99Å; P115-R119 PolarHBondContact O-N 2.86Å; L116-R119 PolarHBondContact O-N 2.7Å; I117-R119 VanDerWaalsContact C-N 3.33Å; I117-R119 PolarHBondContact O-N 3.17Å; R119-Q122 PolarHBondContact O-N 3.21Å; R119-L123 WeakPolarHBondContact O-CG 3.11Å; R119-L123 PolarHBondContact O-N 3.37Å; R119-L123 VanDerWaalsContact O-N 3.1Å |
| 120 | A | 83.1 | Confident | 88.5 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.2 | -44.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I61 I75 L116 I117 H118 Q122 L123 A124 | I61-A120 VanDerWaalsContact CG2-CA 3.47Å; I61-A120 HydrophobicContact CG2-CB 3.75Å; I75-A120 HydrophobicContact CD1-CB 3.77Å; L116-A120 PolarHBondContact O-N 3.3Å; I117-A120 WeakPolarHBondContact O-CB 3.11Å; I117-A120 PolarHBondContact O-N 3Å; H118-A120 VanDerWaalsContact C-N 3.34Å; H118-A120 PolarHBondContact O-N 3.21Å; A120-Q122 VanDerWaalsContact C-N 3.34Å; A120-Q122 PolarHBondContact O-N 3.34Å; A120-L123 PolarHBondContact O-N 3.32Å; A120-A124 WeakPolarHBondContact O-CB 3.49Å; A120-A124 PolarHBondContact O-N 2.77Å |
| 121 | L | 86.7 | Confident | 88.5 | Confident | 57 Ų | 57 | 45 Ų | 45 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 176 | -63.7 | -174.4 | 0 | 0 | 0 | 112.1 | I117 H118 L123 A124 V128 L181 | I117-L121 HydrophobicContact CG2-CD1 4.05Å; I117-L121 HydrophobicContact CG2-CG 4.07Å; I117-L121 VanDerWaalsContact O-CG 3.29Å; I117-L121 WeakPolarHBondContact O-CG 3.25Å; I117-L121 PolarHBondContact O-N 2.77Å; H118-L121 PolarHBondContact O-N 2.94Å; L121-L123 VanDerWaalsContact C-N 3.33Å; L121-A124 PolarHBondContact O-N 3.35Å; L121-V128 HydrophobicContact CD2-CB 3.42Å; L121-V128 VanDerWaalsContact CD2-CB 3.42Å; L121-V128 HydrophobicContact CD2-CG1 3.83Å; L121-V128 HydrophobicContact CD2-CG2 3.95Å; L121-L181 HydrophobicContact CD1-CD2 3.58Å |
| 122 | Q | 89.5 | Confident | 88.9 | Confident | 156 Ų | 156 | 40.5 Ų | 40.5 | 73% | 0.729 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -67.9 | -32.5 | 178.5 | -73.2 | 169 | 8.3 | 0 | 0 | 113 | H118 R119 A120 | H118-Q122 WeakPolarHBondContact O-CB 3.41Å; H118-Q122 VanDerWaalsContact O-CG 3.22Å; H118-Q122 WeakPolarHBondContact O-CG 3.48Å; H118-Q122 PolarHBondContact O-N 3.07Å; R119-Q122 PolarHBondContact O-N 3.21Å; A120-Q122 VanDerWaalsContact C-N 3.34Å; A120-Q122 PolarHBondContact O-N 3.34Å |
| 123 | L | 83.3 | Confident | 89.6 | Confident | 33 Ų | 33 | 39.5 Ų | 39.5 | 17% | 0.173 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -83 | -23.2 | 178.8 | -73.5 | 171.7 | 0 | 0 | 0 | 112.9 | Y58 I61 C65 T66 R119 A120 L121 | Y58-L123 HydrophobicContact CD2-CD1 4.19Å; Y58-L123 HydrophobicContact CE2-CD1 3.89Å; Y58-L123 HydrophobicContact CE2-CD2 3.96Å; Y58-L123 HydrophobicContact CE2-CG 4.42Å; I61-L123 HydrophobicContact CB-CD1 4.16Å; I61-L123 HydrophobicContact CG2-CD1 3.57Å; C65-L123 HydrophobicContact CB-CB 4.44Å; T66-L123 HydrophobicContact CG2-CB 3.89Å; T66-L123 HydrophobicContact CG2-CD2 4.04Å; T66-L123 HydrophobicContact CG2-CG 4.46Å; R119-L123 WeakPolarHBondContact O-CG 3.11Å; R119-L123 PolarHBondContact O-N 3.37Å; R119-L123 VanDerWaalsContact O-N 3.1Å; A120-L123 PolarHBondContact O-N 3.32Å; L121-L123 VanDerWaalsContact C-N 3.33Å |
| 124 | A | 81.4 | Confident | 90.1 | Very high | 19 Ų | 19 | 39.1 Ų | 39.1 | 16% | 0.157 | 20% | 0.201 | C | C | . | . | trans | -71.8 | 129.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | C65 A120 L121 R126 V128 | C65-A124 HydrophobicContact CB-CB 4.42Å; C65-A124 WeakPolarHBondContact O-CA 3.04Å; A120-A124 WeakPolarHBondContact O-CB 3.49Å; A120-A124 PolarHBondContact O-N 2.77Å; L121-A124 PolarHBondContact O-N 3.35Å; A124-R126 WeakPolarHBondContact CB-O 3.24Å; A124-V128 HydrophobicContact CB-CG2 3.39Å | ||
| 125 | Q | 84.4 | Confident | 90.3 | Very high | 160 Ų | 160 | 39 Ų | 39 | 75% | 0.748 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -85.5 | -17 | 170.3 | -66.5 | 179 | -0.6 | 0 | 0 | 112.2 | ||
| 126 | R | 85.9 | Confident | 90.7 | Very high | 74 Ų | 74 | 36.9 Ų | 36.9 | 28% | 0.279 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -103.3 | 147.7 | 177.9 | -63.5 | 175.2 | -178.4 | 167.6 | -2.7 | 108.7 | G71 N73 A124 V128 S380 K381 | G71-R126 PolarHBondContact O-NH1 2.91Å; G71-R126 VanDerWaalsContact O-NH1 3.12Å; N73-R126 HydrophobicContact CB-CB 4.46Å; A124-R126 WeakPolarHBondContact CB-O 3.24Å; R126-V128 PolarHBondContact O-N 2.68Å; R126-S380 PolarHBondContact NH1-O 2.98Å; R126-K381 PolarHBondContact NH2-O 2.73Å |
| 127 | P | 89.7 | Confident | 91.3 | Very high | 101 Ų | 101 | 36.8 Ų | 36.8 | 66% | 0.656 | 19% | 0.185 | S | C | * | . | trans | -53.7 | 132.2 | 167.3 | -22.7 | 33.6 | 0 | 0 | 0 | 110 | ||||
| 128 | V | 88.2 | Confident | 91.8 | Very high | 26 Ų | 26 | 36.8 Ų | 36.8 | 16% | 0.158 | 19% | 0.185 | C | C | . | . | trans | -106.7 | 128.9 | 178.5 | 179 | 0 | 0 | 0 | 0 | 108.8 | N73 I75 L121 A124 R126 | N73-V128 CarbonylContact O-C 3.5Å; N73-V128 VanDerWaalsContact O-CA 3.28Å; N73-V128 WeakPolarHBondContact O-CA 3.43Å; I75-V128 HydrophobicContact CB-CG1 4.48Å; I75-V128 HydrophobicContact CD1-CG1 3.83Å; I75-V128 HydrophobicContact CG1-CG1 3.76Å; L121-V128 HydrophobicContact CD2-CB 3.42Å; L121-V128 VanDerWaalsContact CD2-CB 3.42Å; L121-V128 HydrophobicContact CD2-CG1 3.83Å; L121-V128 HydrophobicContact CD2-CG2 3.95Å; A124-V128 HydrophobicContact CB-CG2 3.39Å; R126-V128 PolarHBondContact O-N 2.68Å | ||
| 129 | S | 93.6 | Very high | 92 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 15% | 0.147 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 128.2 | 177.4 | -68.9 | 0 | 0 | 0 | 0 | 110.8 | N73 I74 I75 | N73-S129 PolarHBondContact O-N 3.19Å; I74-S129 CarbonylContact C-O 3.37Å; I74-S129 VanDerWaalsContact CA-O 3.24Å; I74-S129 WeakPolarHBondContact CA-O 3.44Å; I75-S129 PolarHBondContact N-O 3.39Å |
| 130 | L | 96.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 130.7 | 172.4 | -49 | -178 | 0 | 0 | 0 | 110 | I75 I117 L181 F183 W184 A185 | I75-L130 HydrophobicContact CB-CD2 3.8Å; I75-L130 HydrophobicContact CD1-CD2 4.25Å; I75-L130 HydrophobicContact CG1-CD2 4.45Å; I75-L130 HydrophobicContact CG2-CD2 4.39Å; I75-L130 WeakPolarHBondContact O-CA 3.44Å; I117-L130 HydrophobicContact CG2-CD1 4.04Å; I117-L130 HydrophobicContact CG2-CD2 3.83Å; L130-L181 HydrophobicContact CD1-CB 3.98Å; L130-L181 HydrophobicContact CD1-CD2 4.27Å; L130-F183 HydrophobicContact CB-CD1 3.55Å; L130-F183 HydrophobicContact CB-CE1 3.66Å; L130-F183 HydrophobicContact CB-CG 4.16Å; L130-F183 HydrophobicContact CB-CZ 4.38Å; L130-F183 HydrophobicContact CD1-CZ 4.45Å; L130-W184 PolarHBondContact O-N 3.4Å; L130-A185 PolarHBondContact O-N 2.96Å |
| 131 | L | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 135.7 | 172.4 | 172.2 | 60.4 | 0 | 0 | 0 | 108.3 | I75 W76 V77 W184 A185 T187 L235 F293 | I75-L131 PolarHBondContact O-N 3.31Å; W76-L131 CarbonylContact C-O 3.14Å; W76-L131 WeakPolarHBondContact CA-O 3.28Å; V77-L131 PolarHBondContact N-O 3.27Å; L131-W184 HydrophobicContact CB-CE3 4.3Å; L131-W184 HydrophobicContact CB-CZ3 4.4Å; L131-W184 HydrophobicContact CD2-CZ3 4.44Å; L131-A185 WeakPolarHBondContact CA-O 3.32Å; L131-A185 HydrophobicContact CD1-CB 3.66Å; L131-T187 HydrophobicContact CD1-CG2 3.85Å; L131-L235 HydrophobicContact CD1-CD1 4.06Å; L131-L235 HydrophobicContact CD2-CD1 4.44Å; L131-F293 HydrophobicContact CD2-CD1 4.21Å; L131-F293 HydrophobicContact CD2-CE1 3.58Å; L131-F293 HydrophobicContact CD2-CZ 4.4Å |
| 132 | A | 98.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 142.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V77 M79 F172 F183 A185 V186 T187 | V77-A132 VanDerWaalsContact O-CA 3.24Å; V77-A132 WeakPolarHBondContact O-CA 3.18Å; V77-A132 WeakPolarHBondContact O-CB 3.46Å; M79-A132 HydrophobicContact CG-CB 3.92Å; M79-A132 HydrophobicContact SD-CB 4.25Å; A132-F172 HydrophobicContact CB-CE1 3.54Å; A132-F172 HydrophobicContact CB-CZ 3.78Å; A132-F183 HydrophobicContact CB-CD1 3.74Å; A132-F183 HydrophobicContact CB-CE1 3.43Å; A132-F183 VanDerWaalsContact CB-CE1 3.43Å; A132-F183 HydrophobicContact CB-CZ 4.15Å; A132-A185 PolarHBondContact N-O 3.4Å; A132-A185 VanDerWaalsContact N-O 3.1Å; A132-V186 HydrophobicContact CB-CG1 4.24Å; A132-V186 CarbonylContact O-C 3.59Å; A132-V186 WeakPolarHBondContact O-CA 3.36Å; A132-T187 PolarHBondContact O-N 3.48Å |
| 133 | S | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 136.4 | 174.1 | -51.1 | 0 | 0 | 0 | 0 | 110.4 | W76 V77 M79 W135 T187 D238 | W76-S133 VanDerWaalsContact CZ2-CB 3.42Å; W76-S133 WeakPolarHBondContact CZ2-OG 3.33Å; W76-S133 PolarHBondContact NE1-OG 2.81Å; V77-S133 PolarHBondContact O-N 3.45Å; M79-S133 PolarHBondContact N-O 3.07Å; S133-W135 WeakPolarHBondContact O-CZ3 3.3Å; S133-T187 WeakPolarHBondContact CB-OG1 3.47Å; S133-T187 VanDerWaalsContact OG-CG2 3.28Å; S133-T187 WeakPolarHBondContact OG-CG2 3.39Å; S133-T187 PolarHBondContact OG-OG1 3.01Å; S133-D238 WeakPolarHBondContact CB-OD2 3.47Å; S133-D238 PolarHBondContact OG-OD2 3.27Å |
| 134 | P | 98.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 146.1 | 166.7 | 32.8 | -28.8 | 0 | 0 | 0 | 111.7 | M79 W165 N190 | M79-P134 HydrophobicContact CB-CB 3.97Å; M79-P134 HydrophobicContact SD-CB 4.08Å; M79-P134 HydrophobicContact SD-CG 4.07Å; P134-W165 HydrophobicContact CB-CH2 3.66Å; P134-W165 HydrophobicContact CB-CZ2 3.59Å; P134-W165 HydrophobicContact CG-CH2 4.21Å; P134-W165 HydrophobicContact CG-CZ2 3.65Å; P134-N190 WeakPolarHBondContact O-CB 3.36Å; P134-N190 PolarHBondContact O-N 3.04Å |
| 135 | W | 98.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -100.2 | -27.8 | 168.5 | -73.9 | -109.1 | 0 | 0 | 0 | 111.8 | W76 P78 C82 S133 E189 N190 Q203 C204 L205 W337 | W76-W135 HydrophobicContact CE3-CH2 4.41Å; W76-W135 AromaticContact CH2-CH2 2.91Å; W76-W135 HydrophobicContact CH2-CH2 2.91Å; W76-W135 AromaticContact CH2-CZ2 3.11Å; W76-W135 HydrophobicContact CH2-CZ2 3.11Å; W76-W135 AromaticContact CH2-CZ3 3.8Å; W76-W135 HydrophobicContact CH2-CZ3 3.8Å; W76-W135 AromaticContact CZ2-CH2 3.94Å; W76-W135 HydrophobicContact CZ2-CH2 3.94Å; W76-W135 HydrophobicContact CZ2-CZ2 4.22Å; W76-W135 HydrophobicContact CZ2-CZ3 4.49Å; W76-W135 AromaticContact CZ3-CH2 3.2Å; W76-W135 HydrophobicContact CZ3-CH2 3.2Å; W76-W135 AromaticContact CZ3-CZ2 3.59Å; W76-W135 HydrophobicContact CZ3-CZ2 3.59Å; W76-W135 HydrophobicContact CZ3-CZ3 4.27Å; P78-W135 HydrophobicContact CB-CE3 4.44Å; P78-W135 HydrophobicContact CB-CH2 3.39Å; P78-W135 HydrophobicContact CB-CZ3 3.26Å; P78-W135 HydrophobicContact CG-CH2 3.63Å; P78-W135 HydrophobicContact CG-CZ3 4.05Å; C82-W135 HydrophobicContact CB-CD2 3.36Å; C82-W135 HydrophobicContact CB-CE3 3.71Å; C82-W135 HydrophobicContact CB-CG 3.91Å; C82-W135 HydrophobicContact CB-CH2 3.56Å; C82-W135 HydrophobicContact CB-CZ2 3.13Å; C82-W135 HydrophobicContact CB-CZ3 3.87Å; S133-W135 WeakPolarHBondContact O-CZ3 3.3Å; W135-E189 WeakPolarHBondContact CA-OE1 3.15Å; W135-N190 VanDerWaalsContact CD1-ND2 3.26Å; W135-N190 HydrophobicContact CD2-CB 4.18Å; W135-N190 HydrophobicContact CG-CB 4.15Å; W135-N190 PolarHBondContact NE1-ND2 3.18Å; W135-Q203 HydrophobicContact CB-CB 3.64Å; W135-Q203 HydrophobicContact CG-CB 4.37Å; W135-Q203 CarbonylContact O-C 3.55Å; W135-C204 CarbonylContact O-C 2.86Å; W135-C204 WeakPolarHBondContact O-CA 3.3Å; W135-C204 PolarHBondContact O-N 2.95Å; W135-C204 VanDerWaalsContact O-N 3.12Å; W135-L205 PolarHBondContact O-N 2.67Å; W135-W337 HydrophobicContact CH2-CH2 4.37Å; W135-W337 AromaticContact CZ2-CH2 3.47Å; W135-W337 HydrophobicContact CZ2-CH2 3.47Å; W135-W337 VanDerWaalsContact CZ2-CH2 3.47Å; W135-W337 AromaticContact CZ2-CZ2 3.74Å; W135-W337 HydrophobicContact CZ2-CZ2 3.74Å; W135-W337 HydrophobicContact CZ2-CZ3 4.46Å |
| 136 | T | 98.6 | Very high | 95.4 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 4% | 0.043 | 16% | 0.16 | C | C | . | . | trans | -154.4 | 144.5 | -178.3 | -144.5 | 0 | 0 | 0 | 0 | 111.7 | T90 K142 G147 Q203 C204 | T90-T136 HydrophobicContact CG2-CG2 4.13Å; T136-K142 PolarHBondContact OG1-NZ 3.24Å; T136-G147 PolarHBondContact OG1-O 3.14Å; T136-Q203 HydrophobicContact CG2-CB 4.08Å; T136-Q203 HydrophobicContact CG2-CG 3.95Å; T136-C204 PolarHBondContact OG1-O 3.49Å; T136-C204 VanDerWaalsContact OG1-O 3.04Å | ||
| 137 | S | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | trans | -83.3 | 163.3 | 169.8 | 60.9 | 0 | 0 | 0 | 0 | 111 | T139 K142 W165 | S137-T139 PolarHBondContact O-N 3.02Å; S137-K142 VanDerWaalsContact OG-CG 3.29Å; S137-K142 WeakPolarHBondContact OG-CG 3.5Å; S137-W165 VanDerWaalsContact CA-CZ3 3.47Å; S137-W165 VanDerWaalsContact CB-CE3 3.47Å | ||
| 138 | P | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -45.7 | 130.2 | 167.2 | -28.9 | 32.8 | 0 | 0 | 0 | 110.8 | A92 R140 L141 Y168 | A92-P138 HydrophobicContact CB-CG 4.01Å; A92-P138 WeakPolarHBondContact O-CB 3.33Å; P138-R140 HydrophobicContact CB-CG 4.17Å; P138-R140 PolarHBondContact O-N 2.86Å; P138-L141 HydrophobicContact CB-CG 4.48Å; P138-L141 HydrophobicContact CG-CD1 4.44Å; P138-L141 WeakPolarHBondContact O-CB 3.27Å; P138-L141 PolarHBondContact O-N 3.29Å; P138-Y168 HydrophobicContact CG-CD2 4.14Å; P138-Y168 HydrophobicContact CG-CE2 3.9Å | ||
| 139 | T | 96.6 | Very high | 96.5 | Very high | 58 Ų | 58 | 21 Ų | 21 | 36% | 0.356 | 13% | 0.131 | S | C | . | . | G | 310 helix | trans | -55.9 | -31 | -168.2 | 58.1 | 0 | 0 | 0 | 0 | 113.3 | S137 L141 K142 G145 | S137-T139 PolarHBondContact O-N 3.02Å; T139-L141 PolarHBondContact O-N 2.81Å; T139-K142 WeakPolarHBondContact O-CB 3.42Å; T139-K142 PolarHBondContact O-N 3.41Å; T139-G145 WeakPolarHBondContact O-CA 3.49Å |
| 140 | R | 94.1 | Very high | 96.7 | Very high | 28 Ų | 28 | 25.3 Ų | 25.3 | 11% | 0.106 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -58.4 | -28.9 | 174.8 | 64.4 | 178.4 | 175.5 | 77.3 | 6.4 | 114.2 | T94 D97 P138 K142 K154 | T94-R140 PolarHBondContact O-NE 3.39Å; D97-R140 VanDerWaalsContact O-CZ 3.3Å; D97-R140 PolarHBondContact O-NH2 3.24Å; P138-R140 HydrophobicContact CB-CG 4.17Å; P138-R140 PolarHBondContact O-N 2.86Å; R140-K142 VanDerWaalsContact C-N 3.26Å; R140-K154 WeakPolarHBondContact O-CE 3.19Å; R140-K154 PolarHBondContact O-NZ 3.18Å |
| 141 | L | 97.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -78.1 | -12.1 | 177 | -61.4 | -176 | 0 | 0 | 0 | 112.4 | F98 P138 T139 L153 K154 Y161 T164 W165 | F98-L141 HydrophobicContact CD1-CD2 4.33Å; F98-L141 HydrophobicContact CE1-CD2 3.98Å; P138-L141 HydrophobicContact CB-CG 4.48Å; P138-L141 HydrophobicContact CG-CD1 4.44Å; P138-L141 WeakPolarHBondContact O-CB 3.27Å; P138-L141 PolarHBondContact O-N 3.29Å; T139-L141 PolarHBondContact O-N 2.81Å; L141-L153 HydrophobicContact CB-CD2 3.89Å; L141-L153 CarbonylContact O-C 3.56Å; L141-L153 WeakPolarHBondContact O-CA 3.13Å; L141-K154 PolarHBondContact O-N 3.13Å; L141-Y161 HydrophobicContact CD2-CD1 3.86Å; L141-T164 HydrophobicContact CD1-CG2 4.23Å; L141-T164 HydrophobicContact CD2-CG2 4.23Å; L141-W165 HydrophobicContact CD1-CB 4.35Å; L141-W165 HydrophobicContact CD1-CE3 4.44Å |
| 142 | K | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | B | Isolated β-bridge | trans | -99.6 | 141.8 | -173.1 | -55.1 | -178.8 | 69.7 | -172 | 0 | 111.8 | T136 S137 T139 R140 K144 G145 A146 G147 G151 K154 C204 L205 | T136-K142 PolarHBondContact OG1-NZ 3.24Å; S137-K142 VanDerWaalsContact OG-CG 3.29Å; S137-K142 WeakPolarHBondContact OG-CG 3.5Å; T139-K142 WeakPolarHBondContact O-CB 3.42Å; T139-K142 PolarHBondContact O-N 3.41Å; R140-K142 VanDerWaalsContact C-N 3.26Å; K142-K144 VanDerWaalsContact C-N 3.26Å; K142-K144 PolarHBondContact O-N 3.01Å; K142-G145 PolarHBondContact O-N 2.91Å; K142-G145 VanDerWaalsContact O-N 3.08Å; K142-A146 WeakPolarHBondContact CD-O 3.42Å; K142-A146 WeakPolarHBondContact CE-O 3.4Å; K142-A146 PolarHBondContact NZ-O 3.43Å; K142-G147 VanDerWaalsContact NZ-C 3.31Å; K142-G147 PolarHBondContact NZ-O 3.31Å; K142-G151 WeakPolarHBondContact CE-O 3.41Å; K142-K154 WeakPolarHBondContact O-CE 3.44Å; K142-C204 WeakPolarHBondContact CE-O 3.11Å; K142-C204 PolarHBondContact NZ-O 3.35Å; K142-L205 HydrophobicContact CD-CD1 4.09Å; K142-L205 HydrophobicContact CG-CD1 3.87Å |
| 143 | T | 96.9 | Very high | 96.6 | Very high | 79 Ų | 79 | 27 Ų | 27 | 49% | 0.485 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -38.1 | 177.3 | 46.9 | 0 | 0 | 0 | 0 | 113.3 | G151 P152 K154 | T143-G151 WeakPolarHBondContact OG1-CA 3.15Å; T143-P152 HydrophobicContact CG2-CG 4.21Å; T143-P152 PolarHBondContact N-O 3.25Å; T143-P152 VanDerWaalsContact OG1-CD 3.26Å; T143-P152 WeakPolarHBondContact OG1-CD 3.38Å; T143-P152 PolarHBondContact OG1-O 2.97Å; T143-K154 HydrophobicContact CG2-CG 4.17Å |
| 144 | K | 92.7 | Very high | 96.6 | Very high | 101 Ų | 101 | 30.1 Ų | 30.1 | 44% | 0.439 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -22.1 | 178.3 | -175.2 | -179.3 | 168.1 | -159.5 | 0 | 113.9 | K142 A146 N148 K150 | K142-K144 VanDerWaalsContact C-N 3.26Å; K142-K144 PolarHBondContact O-N 3.01Å; K144-A146 VanDerWaalsContact C-N 3.28Å; K144-A146 HydrophobicContact CD-CB 4.12Å; K144-A146 HydrophobicContact CG-CB 4.09Å; K144-A146 PolarHBondContact O-N 3.36Å; K144-N148 WeakPolarHBondContact CD-O 3.47Å; K144-N148 PolarHBondContact NZ-O 3.37Å; K144-N148 PolarHBondContact NZ-OD1 2.63Å; K144-K150 WeakPolarHBondContact CB-O 3.34Å; K144-K150 WeakPolarHBondContact CD-O 3.46Å |
| 145 | G | 94.8 | Very high | 96.5 | Very high | 44 Ų | 44 | 32.1 Ų | 32.1 | 45% | 0.454 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 69.6 | 19.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | T139 K142 | T139-G145 WeakPolarHBondContact O-CA 3.49Å; K142-G145 PolarHBondContact O-N 2.91Å; K142-G145 VanDerWaalsContact O-N 3.08Å |
| 146 | A | 95.3 | Very high | 96.5 | Very high | 26 Ų | 26 | 38.7 Ų | 38.7 | 22% | 0.215 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -136.6 | 151.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K142 K144 N148 | K142-A146 WeakPolarHBondContact CD-O 3.42Å; K142-A146 WeakPolarHBondContact CE-O 3.4Å; K142-A146 PolarHBondContact NZ-O 3.43Å; K144-A146 VanDerWaalsContact C-N 3.28Å; K144-A146 HydrophobicContact CD-CB 4.12Å; K144-A146 HydrophobicContact CG-CB 4.09Å; K144-A146 PolarHBondContact O-N 3.36Å; A146-N148 VanDerWaalsContact C-N 3.33Å; A146-N148 PolarHBondContact O-N 3.01Å |
| 147 | G | 93.3 | Very high | 96.4 | Very high | 21 Ų | 21 | 38.7 Ų | 38.7 | 22% | 0.216 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -68.1 | -28.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | T136 K142 Q203 C204 | T136-G147 PolarHBondContact OG1-O 3.14Å; K142-G147 VanDerWaalsContact NZ-C 3.31Å; K142-G147 PolarHBondContact NZ-O 3.31Å; G147-Q203 WeakPolarHBondContact O-CA 3.32Å; G147-C204 PolarHBondContact O-N 3.37Å; G147-C204 VanDerWaalsContact O-N 3.08Å |
| 148 | N | 96.3 | Very high | 96.3 | Very high | 51 Ų | 51 | 48.2 Ų | 48.2 | 27% | 0.273 | 26% | 0.259 | S | S | . | . | B | Isolated β-bridge | trans | -112.5 | 172.7 | -179.6 | 69.1 | -0.6 | 0 | 0 | 0 | 113.5 | K144 A146 P201 F202 | K144-N148 WeakPolarHBondContact CD-O 3.47Å; K144-N148 PolarHBondContact NZ-O 3.37Å; K144-N148 PolarHBondContact NZ-OD1 2.63Å; A146-N148 VanDerWaalsContact C-N 3.33Å; A146-N148 PolarHBondContact O-N 3.01Å; N148-P201 PolarHBondContact ND2-O 3.36Å; N148-F202 WeakPolarHBondContact CA-O 3.2Å; N148-F202 VanDerWaalsContact CB-C 3.45Å; N148-F202 WeakPolarHBondContact CB-O 3.24Å |
| 149 | G | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | 65.8 | 174.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G151 Y200 | G149-G151 PolarHBondContact O-N 3.29Å; G149-G151 VanDerWaalsContact O-N 3.08Å; G149-Y200 WeakPolarHBondContact CA-O 3.48Å; G149-Y200 PolarHBondContact N-O 3.36Å |
| 150 | K | 97.4 | Very high | 96.4 | Very high | 112 Ų | 112 | 51.6 Ų | 51.6 | 49% | 0.487 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -49.8 | 115.6 | -177.6 | -174.4 | 173 | -175.9 | 167.4 | 0 | 112.9 | K144 G195 L196 L197 | K144-K150 WeakPolarHBondContact CB-O 3.34Å; K144-K150 WeakPolarHBondContact CD-O 3.46Å; K150-G195 VanDerWaalsContact CA-O 3.28Å; K150-G195 WeakPolarHBondContact CA-O 3.35Å; K150-L196 WeakPolarHBondContact CD-O 3.21Å; K150-L197 PolarHBondContact N-O 3.33Å |
| 151 | G | 96.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | trans | -177.4 | 85.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | K142 T143 G149 G195 | K142-G151 WeakPolarHBondContact CE-O 3.41Å; T143-G151 WeakPolarHBondContact OG1-CA 3.15Å; G149-G151 PolarHBondContact O-N 3.29Å; G149-G151 VanDerWaalsContact O-N 3.08Å; G151-G195 PolarHBondContact N-O 3.07Å | ||
| 152 | P | 97.1 | Very high | 96.6 | Very high | 33 Ų | 33 | 53.2 Ų | 53.2 | 21% | 0.214 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -66.3 | 171.5 | 168.1 | 30.5 | -37.9 | 0 | 0 | 0 | 111.5 | T143 G206 | T143-P152 HydrophobicContact CG2-CG 4.21Å; T143-P152 PolarHBondContact N-O 3.25Å; T143-P152 VanDerWaalsContact OG1-CD 3.26Å; T143-P152 WeakPolarHBondContact OG1-CD 3.38Å; T143-P152 PolarHBondContact OG1-O 2.97Å; P152-G206 WeakPolarHBondContact CA-O 3.49Å; P152-G206 WeakPolarHBondContact CB-O 3.33Å |
| 153 | L | 97.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -55 | 146.9 | 167.2 | -69.5 | 175.3 | 0 | 0 | 0 | 111.3 | L141 W165 L205 F207 | L141-L153 HydrophobicContact CB-CD2 3.89Å; L141-L153 CarbonylContact O-C 3.56Å; L141-L153 WeakPolarHBondContact O-CA 3.13Å; L153-W165 HydrophobicContact CD1-CB 4.12Å; L153-W165 HydrophobicContact CD1-CG 4.13Å; L153-W165 HydrophobicContact CD2-CB 4.39Å; L153-W165 HydrophobicContact CD2-CG 4.39Å; L153-L205 HydrophobicContact CD2-CD1 4.02Å; L153-L205 HydrophobicContact CD2-CD2 4.01Å; L153-L205 HydrophobicContact CG-CD1 4.07Å; L153-L205 HydrophobicContact CG-CD2 4.06Å; L153-L205 HydrophobicContact CG-CG 4.43Å; L153-F207 HydrophobicContact CD1-CE1 4.04Å; L153-F207 HydrophobicContact CD1-CZ 3.84Å; L153-F207 HydrophobicContact CG-CZ 4.22Å |
| 154 | K | 97.8 | Very high | 96.8 | Very high | 66 Ų | 66 | 51.9 Ų | 51.9 | 29% | 0.287 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -67.3 | 153.1 | 171.4 | -72.8 | 175.1 | 178 | 166.7 | 0 | 110.6 | R140 L141 K142 T143 Y161 H162 | R140-K154 WeakPolarHBondContact O-CE 3.19Å; R140-K154 PolarHBondContact O-NZ 3.18Å; L141-K154 PolarHBondContact O-N 3.13Å; K142-K154 WeakPolarHBondContact O-CE 3.44Å; T143-K154 HydrophobicContact CG2-CG 4.17Å; K154-Y161 HydrophobicContact CB-CD1 3.79Å; K154-Y161 HydrophobicContact CB-CD2 3.76Å; K154-Y161 HydrophobicContact CB-CE1 3.87Å; K154-Y161 HydrophobicContact CB-CE2 3.85Å; K154-Y161 HydrophobicContact CB-CG 3.74Å; K154-Y161 HydrophobicContact CD-CD1 4.17Å; K154-Y161 HydrophobicContact CD-CE1 3.6Å; K154-Y161 HydrophobicContact CG-CE1 4.37Å; K154-Y161 WeakPolarHBondContact O-CB 3.45Å; K154-H162 PolarHBondContact O-CE1 2.94Å |
| 155 | G | 96.9 | Very high | 97 | Very high | 42 Ų | 42 | 47 Ų | 47 | 43% | 0.433 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 68.3 | -140 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | D159 | G155-D159 WeakPolarHBondContact CA-OD2 3Š|
| 156 | Q | 97 | Very high | 97.2 | Very high | 140 Ų | 140 | 45 Ų | 45 | 65% | 0.654 | 23% | 0.226 | S | C | * | . | trans | -140.7 | 149.9 | -172.2 | -64.7 | -62.8 | -36.7 | 0 | 0 | 111.7 | R158 D159 H162 | Q156-R158 PolarHBondContact O-N 3.05Å; Q156-D159 PolarHBondContact N-OD2 3.48Å; Q156-D159 WeakPolarHBondContact O-CB 3.29Å; Q156-D159 PolarHBondContact O-N 3.22Å; Q156-H162 VanDerWaalsContact C-ND1 3.25Å; Q156-H162 PolarHBondContact N-CE1 3.23Å; Q156-H162 PolarHBondContact O-ND1 3.45Å; Q156-H162 VanDerWaalsContact O-ND1 3.1Å | ||
| 157 | P | 97.8 | Very high | 97.4 | Very high | 8 Ų | 8 | 47.4 Ų | 47.4 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 139.6 | 175.7 | -31.7 | 39 | 0 | 0 | 0 | 113 | D214 R218 D219 | P157-D214 HydrophobicContact CB-CB 3.79Å; P157-D214 HydrophobicContact CG-CB 3.63Å; P157-R218 HydrophobicContact CB-CB 4.47Å; P157-D219 WeakPolarHBondContact CA-OD2 3.48Å |
| 158 | R | 95.6 | Very high | 97.6 | Very high | 199 Ų | 199 | 46.4 Ų | 46.4 | 75% | 0.751 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.6 | -7.5 | -166.6 | -158.8 | 176.5 | 173.8 | 177.9 | -0.1 | 116.4 | Q156 R218 D219 | Q156-R158 PolarHBondContact O-N 3.05Å; R158-R218 HydrophobicContact CB-CB 4.25Å; R158-D219 WeakPolarHBondContact CA-OD1 3.4Å; R158-D219 VanDerWaalsContact N-CG 3.34Å; R158-D219 PolarHBondContact N-OD1 2.98Å; R158-D219 PolarHBondContact N-OD2 3.46Å |
| 159 | D | 97.9 | Very high | 97.8 | Very high | 41 Ų | 41 | 44 Ų | 44 | 22% | 0.219 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -84.9 | -178.9 | 178.1 | 78.6 | 7.8 | 0 | 0 | 0 | 114 | G155 Q156 Y161 H162 Q163 | G155-D159 WeakPolarHBondContact CA-OD2 3Å; Q156-D159 PolarHBondContact N-OD2 3.48Å; Q156-D159 WeakPolarHBondContact O-CB 3.29Å; Q156-D159 PolarHBondContact O-N 3.22Å; D159-Y161 VanDerWaalsContact C-N 3.27Å; D159-Y161 PolarHBondContact O-N 2.88Å; D159-Y161 WeakPolarHBondContact OD1-CA 3.25Å; D159-Y161 WeakPolarHBondContact OD1-CB 3.23Å; D159-Y161 PolarHBondContact OD1-N 3.31Å; D159-Y161 WeakPolarHBondContact OD2-CD2 3.33Å; D159-H162 PolarHBondContact O-N 3.44Å; D159-H162 IonicContact OD1-CE1 3.99Å; D159-H162 IonicContact OD1-CG 3.47Å; D159-H162 PolarHBondContact OD1-N 3.26Å; D159-H162 IonicContact OD1-ND1 3.6Å; D159-H162 PolarHBondContact OD1-ND1 3.14Å; D159-H162 IonicContact OD2-ND1 3.61Å; D159-Q163 VanDerWaalsContact O-CB 3.26Å; D159-Q163 WeakPolarHBondContact O-CB 3.41Å; D159-Q163 VanDerWaalsContact O-CG 3.24Å; D159-Q163 WeakPolarHBondContact O-CG 3.45Å; D159-Q163 PolarHBondContact O-N 3.32Å |
| 160 | I | 97.7 | Very high | 97.9 | Very high | 88 Ų | 88 | 44.9 Ų | 44.9 | 45% | 0.451 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.9 | -33.2 | -179.7 | -165.8 | 172 | 0 | 0 | 0 | 112.9 | F98 T164 | F98-I160 HydrophobicContact CB-CD1 3.93Å; F98-I160 HydrophobicContact CB-CG1 4.23Å; F98-I160 HydrophobicContact CD1-CD1 3.86Å; F98-I160 HydrophobicContact CD1-CG1 3.73Å; F98-I160 HydrophobicContact CD2-CD1 4.16Å; F98-I160 HydrophobicContact CE1-CD1 4.4Å; F98-I160 HydrophobicContact CE1-CG1 4.3Å; F98-I160 HydrophobicContact CE1-CG2 4.25Å; F98-I160 HydrophobicContact CG-CD1 3.72Å; F98-I160 HydrophobicContact CG-CG1 4.06Å; I160-T164 WeakPolarHBondContact O-CB 3.21Å; I160-T164 PolarHBondContact O-N 3.39Å; I160-T164 PolarHBondContact O-OG1 3.24Å |
| 161 | Y | 98.3 | Very high | 97.9 | Very high | 62 Ų | 62 | 43.8 Ų | 43.8 | 24% | 0.243 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -72 | -46.4 | -177.7 | -59.9 | -79.4 | 0 | 0 | 0 | 110.7 | F98 L141 K154 D159 T164 W165 | F98-Y161 AromaticContact CE1-CD1 3.77Å; F98-Y161 HydrophobicContact CE1-CD1 3.77Å; F98-Y161 AromaticContact CE1-CE1 3.75Å; F98-Y161 HydrophobicContact CE1-CE1 3.75Å; F98-Y161 HydrophobicContact CZ-CD1 4.31Å; F98-Y161 AromaticContact CZ-CE1 3.81Å; F98-Y161 HydrophobicContact CZ-CE1 3.81Å; L141-Y161 HydrophobicContact CD2-CD1 3.86Å; K154-Y161 HydrophobicContact CB-CD1 3.79Å; K154-Y161 HydrophobicContact CB-CD2 3.76Å; K154-Y161 HydrophobicContact CB-CE1 3.87Å; K154-Y161 HydrophobicContact CB-CE2 3.85Å; K154-Y161 HydrophobicContact CB-CG 3.74Å; K154-Y161 HydrophobicContact CD-CD1 4.17Å; K154-Y161 HydrophobicContact CD-CE1 3.6Å; K154-Y161 HydrophobicContact CG-CE1 4.37Å; K154-Y161 WeakPolarHBondContact O-CB 3.45Å; D159-Y161 VanDerWaalsContact C-N 3.27Å; D159-Y161 PolarHBondContact O-N 2.88Å; D159-Y161 WeakPolarHBondContact OD1-CA 3.25Å; D159-Y161 WeakPolarHBondContact OD1-CB 3.23Å; D159-Y161 PolarHBondContact OD1-N 3.31Å; D159-Y161 WeakPolarHBondContact OD2-CD2 3.33Å; Y161-T164 PolarHBondContact O-N 2.84Å; Y161-W165 PolarHBondContact O-N 2.86Å |
| 162 | H | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -70.8 | -42.5 | -179.2 | -64.9 | 74.9 | 0 | 0 | 0 | 111.9 | K154 Q156 D159 T164 W165 A166 H211 F215 D219 | K154-H162 PolarHBondContact O-CE1 2.94Å; Q156-H162 VanDerWaalsContact C-ND1 3.25Å; Q156-H162 PolarHBondContact N-CE1 3.23Å; Q156-H162 PolarHBondContact O-ND1 3.45Å; Q156-H162 VanDerWaalsContact O-ND1 3.1Å; D159-H162 PolarHBondContact O-N 3.44Å; D159-H162 IonicContact OD1-CE1 3.99Å; D159-H162 IonicContact OD1-CG 3.47Å; D159-H162 PolarHBondContact OD1-N 3.26Å; D159-H162 IonicContact OD1-ND1 3.6Å; D159-H162 PolarHBondContact OD1-ND1 3.14Å; D159-H162 IonicContact OD2-ND1 3.61Å; H162-T164 VanDerWaalsContact C-N 3.31Å; H162-T164 PolarHBondContact O-N 3.08Å; H162-W165 PolarHBondContact O-N 3.14Å; H162-A166 PolarHBondContact O-N 3.05Å; H162-H211 AromaticContact CD2-NE2 3.65Å; H162-H211 AromaticContact CE1-NE2 3.9Å; H162-H211 AromaticContact NE2-CD2 3.83Å; H162-H211 AromaticContact NE2-CE1 3.69Å; H162-H211 AromaticContact NE2-NE2 2.82Å; H162-H211 PolarHBondContact NE2-NE2 3.01Å; H162-F215 HydrophobicContact CB-CD2 4.19Å; H162-F215 HydrophobicContact CB-CE2 4.5Å; H162-F215 AromaticContact CD2-CD2 3.99Å; H162-D219 HydrophobicContact CB-CB 4.27Å; H162-D219 VanDerWaalsContact CB-OD2 3.27Å; H162-D219 WeakPolarHBondContact CB-OD2 3.47Å; H162-D219 IonicContact CG-OD2 2.77Å |
| 163 | Q | 98.4 | Very high | 98.1 | Very high | 51 Ų | 51 | 42.3 Ų | 42.3 | 24% | 0.238 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.7 | -38.4 | 173.8 | -72.6 | -69.8 | -25.5 | 0 | 0 | 111.8 | D159 A166 R167 R218 D219 | D159-Q163 VanDerWaalsContact O-CB 3.26Å; D159-Q163 WeakPolarHBondContact O-CB 3.41Å; D159-Q163 VanDerWaalsContact O-CG 3.24Å; D159-Q163 WeakPolarHBondContact O-CG 3.45Å; D159-Q163 PolarHBondContact O-N 3.32Å; Q163-A166 PolarHBondContact O-N 2.88Å; Q163-R167 WeakPolarHBondContact O-CG 3.44Å; Q163-R167 PolarHBondContact O-N 2.95Å; Q163-R167 PolarHBondContact O-NH1 3.27Å; Q163-R218 PolarHBondContact NE2-O 2.91Å; Q163-D219 VanDerWaalsContact CD-OD1 3.26Å; Q163-D219 WeakPolarHBondContact CG-OD1 3.2Å; Q163-D219 PolarHBondContact NE2-OD1 2.88Å |
| 164 | T | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -40.1 | 174.6 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | F98 L100 L141 I160 Y161 H162 R167 Y168 | F98-T164 HydrophobicContact CD1-CG2 4.42Å; F98-T164 PolarHBondContact O-OG1 3.16Å; L100-T164 HydrophobicContact CD1-CG2 4.38Å; L100-T164 HydrophobicContact CD2-CG2 3.93Å; L100-T164 HydrophobicContact CG-CG2 4.11Å; L141-T164 HydrophobicContact CD1-CG2 4.23Å; L141-T164 HydrophobicContact CD2-CG2 4.23Å; I160-T164 WeakPolarHBondContact O-CB 3.21Å; I160-T164 PolarHBondContact O-N 3.39Å; I160-T164 PolarHBondContact O-OG1 3.24Å; Y161-T164 PolarHBondContact O-N 2.84Å; H162-T164 VanDerWaalsContact C-N 3.31Å; H162-T164 PolarHBondContact O-N 3.08Å; T164-R167 PolarHBondContact O-N 2.73Å; T164-R167 PolarHBondContact OG1-NH2 3.11Å; T164-Y168 WeakPolarHBondContact O-CB 3.21Å; T164-Y168 PolarHBondContact O-N 3.45Å |
| 165 | W | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.8 | -41.9 | 176.2 | -175.5 | -129.7 | 0 | 0 | 0 | 112.7 | P134 S137 L141 L153 Y161 H162 R167 Y168 I169 L205 F215 | P134-W165 HydrophobicContact CB-CH2 3.66Å; P134-W165 HydrophobicContact CB-CZ2 3.59Å; P134-W165 HydrophobicContact CG-CH2 4.21Å; P134-W165 HydrophobicContact CG-CZ2 3.65Å; S137-W165 VanDerWaalsContact CA-CZ3 3.47Å; S137-W165 VanDerWaalsContact CB-CE3 3.47Å; L141-W165 HydrophobicContact CD1-CB 4.35Å; L141-W165 HydrophobicContact CD1-CE3 4.44Å; L153-W165 HydrophobicContact CD1-CB 4.12Å; L153-W165 HydrophobicContact CD1-CG 4.13Å; L153-W165 HydrophobicContact CD2-CB 4.39Å; L153-W165 HydrophobicContact CD2-CG 4.39Å; Y161-W165 PolarHBondContact O-N 2.86Å; H162-W165 PolarHBondContact O-N 3.14Å; W165-R167 PolarHBondContact O-N 2.81Å; W165-Y168 AromaticContact CE3-CD1 3.82Å; W165-Y168 HydrophobicContact CE3-CD1 3.82Å; W165-Y168 HydrophobicContact CE3-CE1 4.5Å; W165-Y168 AromaticContact CE3-CG 3.85Å; W165-Y168 HydrophobicContact CE3-CG 3.85Å; W165-Y168 AromaticContact CH2-CD1 3.92Å; W165-Y168 HydrophobicContact CH2-CD1 3.92Å; W165-Y168 AromaticContact CH2-CE1 3.95Å; W165-Y168 HydrophobicContact CH2-CE1 3.95Å; W165-Y168 AromaticContact CZ3-CD1 3.22Å; W165-Y168 HydrophobicContact CZ3-CD1 3.22Å; W165-Y168 HydrophobicContact CZ3-CD2 4.25Å; W165-Y168 AromaticContact CZ3-CE1 3.51Å; W165-Y168 HydrophobicContact CZ3-CE1 3.51Å; W165-Y168 HydrophobicContact CZ3-CE2 4.46Å; W165-Y168 AromaticContact CZ3-CG 3.64Å; W165-Y168 HydrophobicContact CZ3-CG 3.64Å; W165-Y168 WeakPolarHBondContact O-CB 3.5Å; W165-Y168 PolarHBondContact O-N 3.3Å; W165-I169 PolarHBondContact O-N 2.98Å; W165-L205 HydrophobicContact CZ2-CD2 4.15Å; W165-F215 HydrophobicContact CB-CE2 4.49Å; W165-F215 AromaticContact CD1-CE1 3.86Å; W165-F215 AromaticContact CD1-CE2 3.82Å; W165-F215 AromaticContact CD1-CZ 3.27Å; W165-F215 HydrophobicContact CG-CZ 4.18Å; W165-F215 AromaticContact NE1-CZ 3.94Å |
| 166 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61 | -43.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H162 Q163 Y168 I169 V170 F215 D219 L220 T223 | H162-A166 PolarHBondContact O-N 3.05Å; Q163-A166 PolarHBondContact O-N 2.88Å; A166-Y168 VanDerWaalsContact C-N 3.31Å; A166-Y168 PolarHBondContact O-N 3.43Å; A166-I169 PolarHBondContact O-N 3.42Å; A166-V170 PolarHBondContact O-N 2.91Å; A166-F215 HydrophobicContact CB-CE2 4.25Å; A166-D219 HydrophobicContact CB-CB 4.1Å; A166-L220 HydrophobicContact CB-CD1 4.48Å; A166-T223 HydrophobicContact CB-CG2 4.07Å |
| 167 | R | 98.6 | Very high | 98.3 | Very high | 77 Ų | 77 | 35.3 Ų | 35.3 | 29% | 0.291 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.2 | -31.8 | 174.4 | -72.4 | -166.3 | -54.3 | -79.2 | -0.6 | 113.2 | F98 L100 Q163 T164 W165 I169 V170 K171 T223 | F98-R167 PolarHBondContact O-NH2 3.34Å; L100-R167 HydrophobicContact CD1-CB 3.88Å; Q163-R167 WeakPolarHBondContact O-CG 3.44Å; Q163-R167 PolarHBondContact O-N 2.95Å; Q163-R167 PolarHBondContact O-NH1 3.27Å; T164-R167 PolarHBondContact O-N 2.73Å; T164-R167 PolarHBondContact OG1-NH2 3.11Å; W165-R167 PolarHBondContact O-N 2.81Å; R167-I169 VanDerWaalsContact C-N 3.29Å; R167-I169 PolarHBondContact O-N 3.32Å; R167-V170 PolarHBondContact O-N 3.42Å; R167-K171 WeakPolarHBondContact O-CB 3.15Å; R167-K171 WeakPolarHBondContact O-CG 3.28Å; R167-K171 PolarHBondContact O-N 3Å; R167-T223 HydrophobicContact CG-CG2 4.24Å |
| 168 | Y | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.9 | -41 | 174.8 | 179 | -78.4 | 0 | 0 | 0 | 111.1 | M79 Y91 A92 L100 F103 P138 T164 W165 A166 K171 F172 | M79-Y168 HydrophobicContact CE-CD1 4.42Å; M79-Y168 HydrophobicContact CE-CE1 4.36Å; Y91-Y168 WeakPolarHBondContact CB-OH 3.35Å; Y91-Y168 AromaticContact CD2-CE1 3.81Å; Y91-Y168 HydrophobicContact CD2-CE1 3.81Å; Y91-Y168 HydrophobicContact CD2-CE2 4.31Å; Y91-Y168 AromaticContact CD2-CZ 3.48Å; Y91-Y168 VanDerWaalsContact CD2-CZ 3.48Å; Y91-Y168 WeakPolarHBondContact CD2-OH 3.26Å; Y91-Y168 HydrophobicContact CE2-CE1 4.48Å; Y91-Y168 HydrophobicContact CG-CE2 4.48Å; Y91-Y168 AromaticContact CG-CZ 3.94Å; Y91-Y168 VanDerWaalsContact CG-OH 3.31Å; Y91-Y168 PolarHBondContact N-OH 2.9Å; A92-Y168 HydrophobicContact CB-CD2 4.07Å; A92-Y168 HydrophobicContact CB-CE2 3.91Å; L100-Y168 HydrophobicContact CD2-CD2 4.29Å; F103-Y168 AromaticContact CD2-CD2 3.84Å; F103-Y168 HydrophobicContact CD2-CD2 3.84Å; F103-Y168 HydrophobicContact CD2-CE2 4Å; F103-Y168 HydrophobicContact CD2-CG 4.46Å; F103-Y168 HydrophobicContact CE2-CD1 4.31Å; F103-Y168 AromaticContact CE2-CD2 3.71Å; F103-Y168 HydrophobicContact CE2-CD2 3.71Å; F103-Y168 HydrophobicContact CE2-CE1 4.31Å; F103-Y168 AromaticContact CE2-CE2 3.73Å; F103-Y168 HydrophobicContact CE2-CE2 3.73Å; F103-Y168 HydrophobicContact CE2-CG 4.03Å; P138-Y168 HydrophobicContact CG-CD2 4.14Å; P138-Y168 HydrophobicContact CG-CE2 3.9Å; T164-Y168 WeakPolarHBondContact O-CB 3.21Å; T164-Y168 PolarHBondContact O-N 3.45Å; W165-Y168 AromaticContact CE3-CD1 3.82Å; W165-Y168 HydrophobicContact CE3-CD1 3.82Å; W165-Y168 HydrophobicContact CE3-CE1 4.5Å; W165-Y168 AromaticContact CE3-CG 3.85Å; W165-Y168 HydrophobicContact CE3-CG 3.85Å; W165-Y168 AromaticContact CH2-CD1 3.92Å; W165-Y168 HydrophobicContact CH2-CD1 3.92Å; W165-Y168 AromaticContact CH2-CE1 3.95Å; W165-Y168 HydrophobicContact CH2-CE1 3.95Å; W165-Y168 AromaticContact CZ3-CD1 3.22Å; W165-Y168 HydrophobicContact CZ3-CD1 3.22Å; W165-Y168 HydrophobicContact CZ3-CD2 4.25Å; W165-Y168 AromaticContact CZ3-CE1 3.51Å; W165-Y168 HydrophobicContact CZ3-CE1 3.51Å; W165-Y168 HydrophobicContact CZ3-CE2 4.46Å; W165-Y168 AromaticContact CZ3-CG 3.64Å; W165-Y168 HydrophobicContact CZ3-CG 3.64Å; W165-Y168 WeakPolarHBondContact O-CB 3.5Å; W165-Y168 PolarHBondContact O-N 3.3Å; A166-Y168 VanDerWaalsContact C-N 3.31Å; A166-Y168 PolarHBondContact O-N 3.43Å; Y168-K171 PolarHBondContact O-N 3.32Å; Y168-F172 PolarHBondContact O-N 3Å |
| 169 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 176 | -65.6 | 165.6 | 0 | 0 | 0 | 110.8 | M79 W165 A166 R167 F172 L173 L220 L224 | M79-I169 HydrophobicContact CE-CB 4.14Å; M79-I169 HydrophobicContact CE-CG1 3.8Å; M79-I169 HydrophobicContact CE-CG2 4.18Å; W165-I169 PolarHBondContact O-N 2.98Å; A166-I169 PolarHBondContact O-N 3.42Å; R167-I169 VanDerWaalsContact C-N 3.29Å; R167-I169 PolarHBondContact O-N 3.32Å; I169-F172 WeakPolarHBondContact O-CB 3.46Å; I169-F172 PolarHBondContact O-N 3.48Å; I169-L173 WeakPolarHBondContact O-CG 3.35Å; I169-L173 PolarHBondContact O-N 2.94Å; I169-L220 HydrophobicContact CB-CD1 4.23Å; I169-L220 HydrophobicContact CD1-CD1 3.6Å; I169-L220 HydrophobicContact CD1-CD2 4.16Å; I169-L220 HydrophobicContact CG1-CD1 4.5Å; I169-L220 HydrophobicContact CG2-CD1 4.22Å; I169-L224 HydrophobicContact CG2-CD2 4.48Å |
| 170 | V | 98.5 | Very high | 98.5 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 12% | 0.121 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -63.8 | -43.9 | 174.6 | 175 | 0 | 0 | 0 | 0 | 111.8 | A166 R167 F172 L173 D174 T223 L224 | A166-V170 PolarHBondContact O-N 2.91Å; R167-V170 PolarHBondContact O-N 3.42Å; V170-F172 VanDerWaalsContact C-N 3.27Å; V170-F172 PolarHBondContact O-N 2.81Å; V170-L173 WeakPolarHBondContact O-CB 3.45Å; V170-L173 PolarHBondContact O-N 2.81Å; V170-D174 PolarHBondContact O-N 2.97Å; V170-T223 HydrophobicContact CG2-CG2 3.65Å; V170-L224 HydrophobicContact CG2-CD2 4.14Å |
| 171 | K | 98.5 | Very high | 98.5 | Very high | 88 Ų | 88 | 39 Ų | 39 | 38% | 0.383 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -60 | -35.6 | 176.3 | -79.5 | -72.3 | -171.8 | 177.5 | 0 | 112.8 | L100 F103 R167 Y168 A175 | L100-K171 HydrophobicContact CB-CG 4.48Å; L100-K171 HydrophobicContact CD1-CG 4.14Å; F103-K171 HydrophobicContact CD1-CB 3.93Å; F103-K171 HydrophobicContact CD2-CB 3.72Å; F103-K171 HydrophobicContact CD2-CG 4.45Å; F103-K171 HydrophobicContact CE1-CB 3.95Å; F103-K171 WeakPolarHBondContact CE1-O 3.45Å; F103-K171 HydrophobicContact CE2-CB 3.71Å; F103-K171 HydrophobicContact CG-CB 3.84Å; F103-K171 HydrophobicContact CG-CG 4.38Å; F103-K171 HydrophobicContact CZ-CB 3.85Å; R167-K171 WeakPolarHBondContact O-CB 3.15Å; R167-K171 WeakPolarHBondContact O-CG 3.28Å; R167-K171 PolarHBondContact O-N 3Å; Y168-K171 PolarHBondContact O-N 3.32Å; K171-A175 WeakPolarHBondContact O-CB 3.35Å; K171-A175 PolarHBondContact O-N 2.87Å |
| 172 | F | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -46.3 | 171.9 | 162.9 | -99.2 | 0 | 0 | 0 | 112 | M79 Y91 F103 A132 Y168 I169 V170 A175 Y176 F183 | M79-F172 HydrophobicContact CE-CB 3.62Å; M79-F172 HydrophobicContact CE-CD1 3.51Å; M79-F172 HydrophobicContact CE-CD2 4.35Å; M79-F172 HydrophobicContact CE-CE1 4.25Å; M79-F172 HydrophobicContact CE-CG 3.56Å; M79-F172 HydrophobicContact CG-CD1 4.02Å; M79-F172 HydrophobicContact CG-CD2 4.24Å; M79-F172 HydrophobicContact CG-CE1 3.83Å; M79-F172 HydrophobicContact CG-CE2 4.02Å; M79-F172 HydrophobicContact CG-CG 4.21Å; M79-F172 HydrophobicContact CG-CZ 3.8Å; M79-F172 HydrophobicContact SD-CD1 4.02Å; M79-F172 HydrophobicContact SD-CE1 4.18Å; M79-F172 HydrophobicContact SD-CG 4.46Å; Y91-F172 HydrophobicContact CD2-CD2 4.33Å; Y91-F172 HydrophobicContact CE2-CB 4.35Å; Y91-F172 AromaticContact CE2-CD2 3.43Å; Y91-F172 HydrophobicContact CE2-CD2 3.43Å; Y91-F172 VanDerWaalsContact CE2-CD2 3.43Å; Y91-F172 HydrophobicContact CE2-CE2 4.11Å; Y91-F172 HydrophobicContact CE2-CG 4.25Å; Y91-F172 AromaticContact CZ-CD2 3.98Å; F103-F172 HydrophobicContact CZ-CB 4.01Å; A132-F172 HydrophobicContact CB-CE1 3.54Å; A132-F172 HydrophobicContact CB-CZ 3.78Å; Y168-F172 PolarHBondContact O-N 3Å; I169-F172 WeakPolarHBondContact O-CB 3.46Å; I169-F172 PolarHBondContact O-N 3.48Å; V170-F172 VanDerWaalsContact C-N 3.27Å; V170-F172 PolarHBondContact O-N 2.81Å; F172-A175 PolarHBondContact O-N 3.12Å; F172-Y176 AromaticContact CD2-CD2 3.8Å; F172-Y176 HydrophobicContact CD2-CD2 3.8Å; F172-Y176 AromaticContact CD2-CE2 3.85Å; F172-Y176 HydrophobicContact CD2-CE2 3.85Å; F172-Y176 AromaticContact CE2-CD2 3.47Å; F172-Y176 HydrophobicContact CE2-CD2 3.47Å; F172-Y176 VanDerWaalsContact CE2-CD2 3.47Å; F172-Y176 AromaticContact CE2-CE2 3.26Å; F172-Y176 HydrophobicContact CE2-CE2 3.26Å; F172-Y176 HydrophobicContact CE2-CG 4.24Å; F172-Y176 AromaticContact CE2-CZ 3.86Å; F172-Y176 HydrophobicContact CZ-CD2 4.04Å; F172-Y176 HydrophobicContact CZ-CE2 4.04Å; F172-Y176 HydrophobicContact CZ-CG 4.39Å; F172-Y176 PolarHBondContact O-N 3.05Å; F172-F183 HydrophobicContact CE1-CD2 4.23Å; F172-F183 HydrophobicContact CE1-CE1 4.15Å; F172-F183 AromaticContact CE1-CE2 3.68Å; F172-F183 HydrophobicContact CE1-CE2 3.68Å; F172-F183 AromaticContact CE1-CZ 3.66Å; F172-F183 HydrophobicContact CE1-CZ 3.66Å; F172-F183 HydrophobicContact CZ-CE1 4.09Å; F172-F183 AromaticContact CZ-CE2 3.76Å; F172-F183 HydrophobicContact CZ-CE2 3.76Å; F172-F183 AromaticContact CZ-CZ 3.4Å; F172-F183 HydrophobicContact CZ-CZ 3.4Å |
| 173 | L | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 177.5 | -64 | 171.6 | 0 | 0 | 0 | 111.5 | I169 V170 A177 F183 V186 L224 H229 V232 | I169-L173 WeakPolarHBondContact O-CG 3.35Å; I169-L173 PolarHBondContact O-N 2.94Å; V170-L173 WeakPolarHBondContact O-CB 3.45Å; V170-L173 PolarHBondContact O-N 2.81Å; L173-A177 VanDerWaalsContact O-CB 3.27Å; L173-A177 WeakPolarHBondContact O-CB 3.36Å; L173-A177 PolarHBondContact O-N 2.97Å; L173-F183 HydrophobicContact CD2-CB 3.83Å; L173-F183 HydrophobicContact CD2-CD2 3.54Å; L173-F183 HydrophobicContact CD2-CE2 4.37Å; L173-F183 HydrophobicContact CD2-CG 3.81Å; L173-V186 HydrophobicContact CD2-CG1 4.12Å; L173-L224 HydrophobicContact CD1-CD2 3.76Å; L173-H229 HydrophobicContact CB-CB 4.36Å; L173-H229 HydrophobicContact CD1-CB 3.76Å; L173-H229 PolarHBondContact O-CE1 3.03Å; L173-V232 HydrophobicContact CD1-CG1 4.46Å; L173-V232 HydrophobicContact CD1-CG2 4.27Å; L173-V232 HydrophobicContact CD2-CG2 4.49Å |
| 174 | D | 98.6 | Very high | 98.5 | Very high | 53 Ų | 53 | 45.5 Ų | 45.5 | 28% | 0.283 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.4 | -51.4 | 172.9 | -69.9 | -28.4 | 0 | 0 | 0 | 110.9 | V170 Y176 A177 E178 H229 | V170-D174 PolarHBondContact O-N 2.97Å; D174-Y176 PolarHBondContact O-N 3.22Å; D174-A177 WeakPolarHBondContact O-CB 3.44Å; D174-A177 PolarHBondContact O-N 3.12Å; D174-A177 VanDerWaalsContact O-N 3.11Å; D174-E178 PolarHBondContact O-N 3.35Å; D174-H229 PolarHBondContact N-NE2 2.92Å; D174-H229 IonicContact OD1-CD2 3.19Å; D174-H229 PolarHBondContact OD1-CD2 2.75Å; D174-H229 IonicContact OD1-CE1 3.94Å; D174-H229 IonicContact OD1-NE2 3.1Å; D174-H229 PolarHBondContact OD1-NE2 3.05Å |
| 175 | A | 98.7 | Very high | 98.4 | Very high | 12 Ų | 12 | 45.5 Ų | 45.5 | 10% | 0.099 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.8 | -41.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | F103 L105 K171 F172 A177 E178 H179 | F103-A175 HydrophobicContact CE1-CB 4.07Å; L105-A175 HydrophobicContact CD1-CB 3.64Å; L105-A175 HydrophobicContact CD2-CB 4.23Å; L105-A175 HydrophobicContact CG-CB 3.76Å; K171-A175 WeakPolarHBondContact O-CB 3.35Å; K171-A175 PolarHBondContact O-N 2.87Å; F172-A175 PolarHBondContact O-N 3.12Å; A175-A177 VanDerWaalsContact C-N 3.33Å; A175-A177 PolarHBondContact O-N 2.99Å; A175-E178 WeakPolarHBondContact O-CB 3.45Å; A175-E178 PolarHBondContact O-N 2.79Å; A175-H179 PolarHBondContact O-CD2 2.63Å; A175-H179 VanDerWaalsContact O-CD2 3.27Å; A175-H179 PolarHBondContact O-N 3.05Å |
| 176 | Y | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.6 | -31.5 | 174.7 | -92.4 | -113.4 | 0 | 0 | 0 | 112.8 | V77 L105 D109 K113 I114 I117 F172 D174 H179 K180 L181 F183 | V77-Y176 HydrophobicContact CG1-CE1 4.07Å; L105-Y176 HydrophobicContact CD1-CD2 3.76Å; L105-Y176 HydrophobicContact CD1-CE2 3.79Å; L105-Y176 HydrophobicContact CD2-CD2 4.25Å; L105-Y176 HydrophobicContact CD2-CE2 3.92Å; D109-Y176 WeakPolarHBondContact OD1-CE2 3.38Å; D109-Y176 PolarHBondContact OD1-OH 2.98Å; K113-Y176 VanDerWaalsContact CE-OH 3.24Å; K113-Y176 WeakPolarHBondContact CE-OH 3.41Å; K113-Y176 PolarHBondContact NZ-OH 2.98Å; I114-Y176 HydrophobicContact CD1-CE1 4.33Å; I114-Y176 HydrophobicContact CD1-CE2 4.24Å; I114-Y176 HydrophobicContact CG1-CD1 4.24Å; I114-Y176 HydrophobicContact CG1-CE1 3.77Å; I114-Y176 HydrophobicContact CG1-CE2 4.5Å; I117-Y176 HydrophobicContact CD1-CE1 4.11Å; F172-Y176 AromaticContact CD2-CD2 3.8Å; F172-Y176 HydrophobicContact CD2-CD2 3.8Å; F172-Y176 AromaticContact CD2-CE2 3.85Å; F172-Y176 HydrophobicContact CD2-CE2 3.85Å; F172-Y176 AromaticContact CE2-CD2 3.47Å; F172-Y176 HydrophobicContact CE2-CD2 3.47Å; F172-Y176 VanDerWaalsContact CE2-CD2 3.47Å; F172-Y176 AromaticContact CE2-CE2 3.26Å; F172-Y176 HydrophobicContact CE2-CE2 3.26Å; F172-Y176 HydrophobicContact CE2-CG 4.24Å; F172-Y176 AromaticContact CE2-CZ 3.86Å; F172-Y176 HydrophobicContact CZ-CD2 4.04Å; F172-Y176 HydrophobicContact CZ-CE2 4.04Å; F172-Y176 HydrophobicContact CZ-CG 4.39Å; F172-Y176 PolarHBondContact O-N 3.05Å; D174-Y176 PolarHBondContact O-N 3.22Å; Y176-H179 CarbonylContact O-C 3.5Å; Y176-H179 WeakPolarHBondContact O-CA 3.17Å; Y176-H179 WeakPolarHBondContact O-CB 2.98Å; Y176-H179 PolarHBondContact O-N 3.48Å; Y176-H179 VanDerWaalsContact O-N 3.11Å; Y176-K180 PolarHBondContact O-N 2.98Å; Y176-L181 CarbonylContact C-O 3.52Å; Y176-L181 HydrophobicContact CD1-CB 4.11Å; Y176-L181 HydrophobicContact CD1-CD1 3.76Å; Y176-L181 HydrophobicContact CE1-CD1 4.08Å; Y176-L181 PolarHBondContact O-N 2.93Å; Y176-F183 AromaticContact CD1-CE2 3.56Å; Y176-F183 HydrophobicContact CD1-CE2 3.56Å; Y176-F183 AromaticContact CD1-CZ 3.69Å; Y176-F183 HydrophobicContact CD1-CZ 3.69Å; Y176-F183 HydrophobicContact CE1-CE2 4.37Å; Y176-F183 HydrophobicContact CE1-CZ 4.05Å; Y176-F183 AromaticContact CG-CE2 3.69Å; Y176-F183 HydrophobicContact CG-CE2 3.69Å; Y176-F183 HydrophobicContact CG-CZ 4.16Å |
| 177 | A | 98.4 | Very high | 98.5 | Very high | 41 Ų | 41 | 45.5 Ų | 45.5 | 34% | 0.339 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.2 | -34.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L173 D174 A175 H179 K180 L181 | L173-A177 VanDerWaalsContact O-CB 3.27Å; L173-A177 WeakPolarHBondContact O-CB 3.36Å; L173-A177 PolarHBondContact O-N 2.97Å; D174-A177 WeakPolarHBondContact O-CB 3.44Å; D174-A177 PolarHBondContact O-N 3.12Å; D174-A177 VanDerWaalsContact O-N 3.11Å; A175-A177 VanDerWaalsContact C-N 3.33Å; A175-A177 PolarHBondContact O-N 2.99Å; A177-H179 PolarHBondContact O-N 2.99Å; A177-K180 WeakPolarHBondContact O-CA 3.08Å; A177-K180 PolarHBondContact O-N 3.31Å; A177-L181 WeakPolarHBondContact CA-O 3.47Å; A177-L181 PolarHBondContact N-O 2.72Å |
| 178 | E | 98.5 | Very high | 98.5 | Very high | 159 Ų | 159 | 41.9 Ų | 41.9 | 74% | 0.743 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -59.4 | -32.1 | 170.2 | -68.4 | 175.3 | -173.2 | 0 | 0 | 111.7 | D174 A175 K180 | D174-E178 PolarHBondContact O-N 3.35Å; A175-E178 WeakPolarHBondContact O-CB 3.45Å; A175-E178 PolarHBondContact O-N 2.79Å; E178-K180 VanDerWaalsContact C-N 3.26Å; E178-K180 PolarHBondContact O-N 3.15Å |
| 179 | H | 98.3 | Very high | 98.5 | Very high | 69 Ų | 69 | 41.9 Ų | 41.9 | 32% | 0.319 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 14.4 | 171.8 | -70.9 | -83.2 | 0 | 0 | 0 | 114.1 | I114 H118 A175 Y176 A177 L181 | I114-H179 HydrophobicContact CD1-CB 4.07Å; I114-H179 HydrophobicContact CG2-CB 3.76Å; H118-H179 PolarHBondContact CE1-O 2.99Å; H118-H179 VanDerWaalsContact CE1-O 3.25Å; H118-H179 PolarHBondContact NE2-O 2.87Å; A175-H179 PolarHBondContact O-CD2 2.63Å; A175-H179 VanDerWaalsContact O-CD2 3.27Å; A175-H179 PolarHBondContact O-N 3.05Å; Y176-H179 CarbonylContact O-C 3.5Å; Y176-H179 WeakPolarHBondContact O-CA 3.17Å; Y176-H179 WeakPolarHBondContact O-CB 2.98Å; Y176-H179 PolarHBondContact O-N 3.48Å; Y176-H179 VanDerWaalsContact O-N 3.11Å; A177-H179 PolarHBondContact O-N 2.99Å; H179-L181 VanDerWaalsContact C-N 3.27Å; H179-L181 PolarHBondContact O-N 3.45Å |
| 180 | K | 98.4 | Very high | 98.5 | Very high | 184 Ų | 184 | 42 Ų | 42 | 80% | 0.8 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 30.1 | 178.3 | -51.5 | 178.3 | -178.6 | 178 | 0 | 114.1 | Y176 A177 E178 | Y176-K180 PolarHBondContact O-N 2.98Å; A177-K180 WeakPolarHBondContact O-CA 3.08Å; A177-K180 PolarHBondContact O-N 3.31Å; E178-K180 VanDerWaalsContact C-N 3.26Å; E178-K180 PolarHBondContact O-N 3.15Å |
| 181 | L | 97.9 | Very high | 98.5 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | trans | -109.4 | 133.3 | 173.2 | -64.7 | 177.6 | 0 | 0 | 0 | 109.7 | I114 I117 H118 L121 L130 Y176 A177 H179 | I114-L181 HydrophobicContact CB-CD1 4.29Å; I114-L181 HydrophobicContact CG1-CD1 4.01Å; I114-L181 HydrophobicContact CG2-CD1 4.07Å; I117-L181 HydrophobicContact CB-CD1 4.08Å; I117-L181 HydrophobicContact CB-CD2 4.44Å; I117-L181 HydrophobicContact CD1-CD1 4.05Å; I117-L181 HydrophobicContact CG2-CD1 3.9Å; I117-L181 HydrophobicContact CG2-CD2 3.59Å; I117-L181 HydrophobicContact CG2-CG 4.4Å; H118-L181 VanDerWaalsContact CE1-CD2 3.46Å; H118-L181 WeakPolarHBondContact CE1-CD2 3.24Å; L121-L181 HydrophobicContact CD1-CD2 3.58Å; L130-L181 HydrophobicContact CD1-CB 3.98Å; L130-L181 HydrophobicContact CD1-CD2 4.27Å; Y176-L181 CarbonylContact C-O 3.52Å; Y176-L181 HydrophobicContact CD1-CB 4.11Å; Y176-L181 HydrophobicContact CD1-CD1 3.76Å; Y176-L181 HydrophobicContact CE1-CD1 4.08Å; Y176-L181 PolarHBondContact O-N 2.93Å; A177-L181 WeakPolarHBondContact CA-O 3.47Å; A177-L181 PolarHBondContact N-O 2.72Å; H179-L181 VanDerWaalsContact C-N 3.27Å; H179-L181 PolarHBondContact O-N 3.45Å | ||
| 182 | Q | 97.6 | Very high | 98.5 | Very high | 168 Ų | 168 | 38 Ų | 38 | 79% | 0.785 | 18% | 0.183 | S | C | * | . | trans | -118.1 | 137.7 | 178.7 | -69.5 | -173.4 | -23.4 | 0 | 0 | 110.1 | ||||
| 183 | F | 98.1 | Very high | 98.4 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 138.5 | 177.8 | -75.5 | -91.7 | 0 | 0 | 0 | 111.4 | V77 L130 A132 F172 L173 Y176 V232 | V77-F183 HydrophobicContact CB-CE1 3.99Å; V77-F183 HydrophobicContact CB-CZ 4.23Å; V77-F183 HydrophobicContact CG1-CZ 4.38Å; V77-F183 HydrophobicContact CG2-CE1 4.07Å; V77-F183 HydrophobicContact CG2-CZ 4.35Å; L130-F183 HydrophobicContact CB-CD1 3.55Å; L130-F183 HydrophobicContact CB-CE1 3.66Å; L130-F183 HydrophobicContact CB-CG 4.16Å; L130-F183 HydrophobicContact CB-CZ 4.38Å; L130-F183 HydrophobicContact CD1-CZ 4.45Å; A132-F183 HydrophobicContact CB-CD1 3.74Å; A132-F183 HydrophobicContact CB-CE1 3.43Å; A132-F183 VanDerWaalsContact CB-CE1 3.43Å; A132-F183 HydrophobicContact CB-CZ 4.15Å; F172-F183 HydrophobicContact CE1-CD2 4.23Å; F172-F183 HydrophobicContact CE1-CE1 4.15Å; F172-F183 AromaticContact CE1-CE2 3.68Å; F172-F183 HydrophobicContact CE1-CE2 3.68Å; F172-F183 AromaticContact CE1-CZ 3.66Å; F172-F183 HydrophobicContact CE1-CZ 3.66Å; F172-F183 HydrophobicContact CZ-CE1 4.09Å; F172-F183 AromaticContact CZ-CE2 3.76Å; F172-F183 HydrophobicContact CZ-CE2 3.76Å; F172-F183 AromaticContact CZ-CZ 3.4Å; F172-F183 HydrophobicContact CZ-CZ 3.4Å; L173-F183 HydrophobicContact CD2-CB 3.83Å; L173-F183 HydrophobicContact CD2-CD2 3.54Å; L173-F183 HydrophobicContact CD2-CE2 4.37Å; L173-F183 HydrophobicContact CD2-CG 3.81Å; Y176-F183 AromaticContact CD1-CE2 3.56Å; Y176-F183 HydrophobicContact CD1-CE2 3.56Å; Y176-F183 AromaticContact CD1-CZ 3.69Å; Y176-F183 HydrophobicContact CD1-CZ 3.69Å; Y176-F183 HydrophobicContact CE1-CE2 4.37Å; Y176-F183 HydrophobicContact CE1-CZ 4.05Å; Y176-F183 AromaticContact CG-CE2 3.69Å; Y176-F183 HydrophobicContact CG-CE2 3.69Å; Y176-F183 HydrophobicContact CG-CZ 4.16Å; F183-V232 HydrophobicContact CB-CG1 4.31Å; F183-V232 HydrophobicContact CB-CG2 4.39Å |
| 184 | W | 98.1 | Very high | 98.4 | Very high | 62 Ų | 62 | 39.6 Ų | 39.6 | 24% | 0.235 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -45 | 166.1 | 159.1 | 59.4 | 0 | 0 | 0 | 110 | L130 L131 R233 M291 F293 | L130-W184 PolarHBondContact O-N 3.4Å; L131-W184 HydrophobicContact CB-CE3 4.3Å; L131-W184 HydrophobicContact CB-CZ3 4.4Å; L131-W184 HydrophobicContact CD2-CZ3 4.44Å; W184-R233 WeakPolarHBondContact O-CG 3.37Å; W184-R233 PolarHBondContact O-N 3.19Å; W184-M291 HydrophobicContact CH2-CE 3.83Å; W184-M291 HydrophobicContact CZ2-CE 3.49Å; W184-M291 VanDerWaalsContact CZ2-CE 3.49Å; W184-F293 AromaticContact CH2-CD2 3.95Å; W184-F293 HydrophobicContact CH2-CD2 3.95Å; W184-F293 AromaticContact CH2-CE2 3.85Å; W184-F293 HydrophobicContact CH2-CE2 3.85Å; W184-F293 HydrophobicContact CH2-CG 4.35Å; W184-F293 HydrophobicContact CH2-CZ 4.18Å; W184-F293 HydrophobicContact CZ3-CE1 4.37Å; W184-F293 HydrophobicContact CZ3-CE2 4.13Å; W184-F293 HydrophobicContact CZ3-CZ 4.02Å |
| 185 | A | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 159.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L130 L131 A132 R233 L235 | L130-A185 PolarHBondContact O-N 2.96Å; L131-A185 WeakPolarHBondContact CA-O 3.32Å; L131-A185 HydrophobicContact CD1-CB 3.66Å; A132-A185 PolarHBondContact N-O 3.4Å; A132-A185 VanDerWaalsContact N-O 3.1Å; A185-R233 CarbonylContact C-O 3.56Å; A185-R233 WeakPolarHBondContact CA-O 3.08Å; A185-R233 HydrophobicContact CB-CB 3.94Å; A185-L235 HydrophobicContact CB-CD1 4.47Å; A185-L235 HydrophobicContact CB-CG 4.31Å |
| 186 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 152.6 | 163.5 | -64 | 0 | 0 | 0 | 0 | 109.4 | A132 L173 L224 V232 R233 L234 L235 | A132-V186 HydrophobicContact CB-CG1 4.24Å; A132-V186 CarbonylContact O-C 3.59Å; A132-V186 WeakPolarHBondContact O-CA 3.36Å; L173-V186 HydrophobicContact CD2-CG1 4.12Å; V186-L224 HydrophobicContact CG2-CD1 4.25Å; V186-V232 HydrophobicContact CG1-CG1 4.02Å; V186-V232 HydrophobicContact CG2-CG1 4.27Å; V186-R233 PolarHBondContact N-O 3.11Å; V186-L234 HydrophobicContact CG2-CD1 4.02Å; V186-L234 WeakPolarHBondContact O-CA 3.48Å; V186-L235 PolarHBondContact O-N 3.39Å |
| 187 | T | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 154.9 | 165.6 | 82 | 0 | 0 | 0 | 0 | 110.4 | L131 A132 S133 E189 L235 D238 A265 | L131-T187 HydrophobicContact CD1-CG2 3.85Å; A132-T187 PolarHBondContact O-N 3.48Å; S133-T187 WeakPolarHBondContact CB-OG1 3.47Å; S133-T187 VanDerWaalsContact OG-CG2 3.28Å; S133-T187 WeakPolarHBondContact OG-CG2 3.39Å; S133-T187 PolarHBondContact OG-OG1 3.01Å; T187-E189 VanDerWaalsContact C-N 3.31Å; T187-E189 PolarHBondContact O-N 2.66Å; T187-L235 CarbonylContact C-O 3.5Å; T187-L235 VanDerWaalsContact CA-O 3.28Å; T187-L235 WeakPolarHBondContact CA-O 3.49Å; T187-L235 HydrophobicContact CG2-CB 4.16Å; T187-D238 VanDerWaalsContact CB-OD2 3.22Å; T187-D238 WeakPolarHBondContact CB-OD2 3.5Å; T187-D238 HydrophobicContact CG2-CB 3.99Å; T187-D238 VanDerWaalsContact CG2-CG 3.47Å; T187-D238 VanDerWaalsContact CG2-OD2 3.25Å; T187-D238 WeakPolarHBondContact CG2-OD2 3.38Å; T187-D238 PolarHBondContact OG1-OD2 3.24Å; T187-A265 HydrophobicContact CG2-CB 4.26Å |
| 188 | A | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -66.9 | -32.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q212 I216 L220 L234 L235 | A188-Q212 HydrophobicContact CB-CG 4.11Å; A188-I216 HydrophobicContact CB-CD1 4.24Å; A188-I216 HydrophobicContact CB-CG1 4.48Å; A188-L220 HydrophobicContact CB-CD2 4.37Å; A188-L234 HydrophobicContact CB-CD1 4.28Å; A188-L235 PolarHBondContact N-O 3.46Å |
| 189 | E | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -174.2 | 139.9 | 177.8 | 177 | 59.1 | -156.2 | 0 | 0 | 108.1 | W135 T187 P192 L205 F207 D238 | W135-E189 WeakPolarHBondContact CA-OE1 3.15Å; T187-E189 VanDerWaalsContact C-N 3.31Å; T187-E189 PolarHBondContact O-N 2.66Å; E189-P192 HydrophobicContact CB-CB 4.28Å; E189-P192 HydrophobicContact CG-CB 4.14Å; E189-P192 WeakPolarHBondContact O-CD 3.21Å; E189-L205 HydrophobicContact CG-CB 4.29Å; E189-L205 WeakPolarHBondContact CG-O 3.24Å; E189-L205 VanDerWaalsContact OE1-CB 3.31Å; E189-L205 WeakPolarHBondContact OE1-CB 3.22Å; E189-L205 PolarHBondContact OE1-N 2.71Å; E189-F207 HydrophobicContact CB-CD2 4.03Å; E189-F207 HydrophobicContact CB-CE2 3.95Å; E189-F207 HydrophobicContact CG-CD2 3.97Å; E189-F207 HydrophobicContact CG-CE2 3.95Å; E189-D238 WeakPolarHBondContact O-CB 3.37Å | ||
| 190 | N | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -74.3 | 123.9 | 170 | 178.9 | 99.7 | 0 | 0 | 0 | 110.5 | P134 W135 | P134-N190 WeakPolarHBondContact O-CB 3.36Å; P134-N190 PolarHBondContact O-N 3.04Å; W135-N190 VanDerWaalsContact CD1-ND2 3.26Å; W135-N190 HydrophobicContact CD2-CB 4.18Å; W135-N190 HydrophobicContact CG-CB 4.15Å; W135-N190 PolarHBondContact NE1-ND2 3.18Å |
| 191 | E | 98.3 | Very high | 97.6 | Very high | 22 Ų | 22 | 35.5 Ų | 35.5 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 46.5 | 58 | 178.6 | -60.2 | -165.9 | 167.3 | 0 | 0 | 114 | S193 A194 Y200 D238 D239 Q240 H267 | E191-S193 PolarHBondContact O-N 3.09Å; E191-A194 HydrophobicContact CB-CB 4.02Å; E191-A194 WeakPolarHBondContact O-CB 3.29Å; E191-A194 PolarHBondContact O-N 3.19Å; E191-Y200 PolarHBondContact OE2-OH 3.44Å; E191-Y200 VanDerWaalsContact OE2-OH 3.08Å; E191-D238 WeakPolarHBondContact CA-O 3.39Å; E191-D238 PolarHBondContact N-O 3.14Å; E191-D239 VanDerWaalsContact C-OD2 3.28Å; E191-D239 WeakPolarHBondContact CA-OD2 3.45Å; E191-Q240 PolarHBondContact OE1-NE2 3.32Å; E191-H267 IonicContact OE1-CE1 3.52Å; E191-H267 IonicContact OE1-ND1 3.68Å; E191-H267 PolarHBondContact OE1-ND1 2.77Å |
| 192 | P | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -25.4 | -178.7 | 20.7 | -34.6 | 0 | 0 | 0 | 113.9 | E189 A194 G206 F207 L237 D239 W247 | E189-P192 HydrophobicContact CB-CB 4.28Å; E189-P192 HydrophobicContact CG-CB 4.14Å; E189-P192 WeakPolarHBondContact O-CD 3.21Å; P192-A194 VanDerWaalsContact C-N 3.34Å; P192-G206 WeakPolarHBondContact O-CA 3.38Å; P192-F207 HydrophobicContact CB-CB 3.88Å; P192-F207 HydrophobicContact CB-CD2 4.14Å; P192-F207 PolarHBondContact O-N 2.96Å; P192-L237 WeakPolarHBondContact CD-O 3.45Å; P192-L237 VanDerWaalsContact CG-O 3.25Å; P192-L237 WeakPolarHBondContact CG-O 3.36Å; P192-D239 HydrophobicContact CG-CB 4.47Å; P192-W247 HydrophobicContact CB-CH2 3.86Å; P192-W247 HydrophobicContact CB-CZ2 4.12Å; P192-W247 HydrophobicContact CG-CH2 3.38Å; P192-W247 HydrophobicContact CG-CZ2 3.82Å; P192-W247 HydrophobicContact CG-CZ3 4.1Å |
| 193 | S | 98.4 | Very high | 97.6 | Very high | 35 Ų | 35 | 28.4 Ų | 28.4 | 25% | 0.245 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -28.1 | 175.9 | 72.6 | 0 | 0 | 0 | 0 | 113.1 | E191 G195 L196 D239 | E191-S193 PolarHBondContact O-N 3.09Å; S193-G195 VanDerWaalsContact C-N 3.33Å; S193-G195 PolarHBondContact O-N 2.65Å; S193-L196 VanDerWaalsContact O-CB 3.32Å; S193-L196 WeakPolarHBondContact O-CB 3.22Å; S193-L196 PolarHBondContact O-N 2.9Å; S193-D239 WeakPolarHBondContact CB-OD2 3.29Å; S193-D239 PolarHBondContact N-OD2 3.28Å; S193-D239 PolarHBondContact OG-OD1 2.8Å; S193-D239 PolarHBondContact OG-OD2 3.36Å |
| 194 | A | 97.3 | Very high | 97.6 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 2% | 0.017 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -60.4 | -41.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E191 P192 L196 L197 Y200 C204 | E191-A194 HydrophobicContact CB-CB 4.02Å; E191-A194 WeakPolarHBondContact O-CB 3.29Å; E191-A194 PolarHBondContact O-N 3.19Å; P192-A194 VanDerWaalsContact C-N 3.34Å; A194-L196 PolarHBondContact O-N 3.01Å; A194-L196 VanDerWaalsContact O-N 3.09Å; A194-L197 WeakPolarHBondContact O-CB 3.2Å; A194-L197 PolarHBondContact O-N 3.18Å; A194-Y200 HydrophobicContact CB-CD1 4.16Å; A194-Y200 HydrophobicContact CB-CD2 3.88Å; A194-Y200 HydrophobicContact CB-CE1 3.77Å; A194-Y200 HydrophobicContact CB-CE2 3.45Å; A194-Y200 VanDerWaalsContact CB-CE2 3.45Å; A194-Y200 HydrophobicContact CB-CG 4.19Å; A194-C204 HydrophobicContact CB-CB 4.08Å |
| 195 | G | 97.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -71.3 | 1.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | K150 G151 S193 G206 | K150-G195 VanDerWaalsContact CA-O 3.28Å; K150-G195 WeakPolarHBondContact CA-O 3.35Å; G151-G195 PolarHBondContact N-O 3.07Å; S193-G195 VanDerWaalsContact C-N 3.33Å; S193-G195 PolarHBondContact O-N 2.65Å; G195-G206 VanDerWaalsContact C-CA 3.42Å; G195-G206 VanDerWaalsContact CA-CA 3.48Å |
| 196 | L | 97.6 | Very high | 97.6 | Very high | 59 Ų | 59 | 24.7 Ų | 24.7 | 31% | 0.309 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -93.8 | -12.3 | 169.4 | -54.6 | -179.9 | 0 | 0 | 0 | 112.6 | K150 S193 A194 T208 | K150-L196 WeakPolarHBondContact CD-O 3.21Å; S193-L196 VanDerWaalsContact O-CB 3.32Å; S193-L196 WeakPolarHBondContact O-CB 3.22Å; S193-L196 PolarHBondContact O-N 2.9Å; A194-L196 PolarHBondContact O-N 3.01Å; A194-L196 VanDerWaalsContact O-N 3.09Å; L196-T208 HydrophobicContact CD1-CG2 4.29Å; L196-T208 HydrophobicContact CD2-CG2 4.38Å |
| 197 | L | 96.4 | Very high | 97.6 | Very high | 102 Ų | 102 | 24.7 Ų | 24.7 | 53% | 0.534 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -88.8 | 125.3 | -178.3 | -59.2 | 177 | 0 | 0 | 0 | 111.7 | K150 A194 G199 Y200 | K150-L197 PolarHBondContact N-O 3.33Å; A194-L197 WeakPolarHBondContact O-CB 3.2Å; A194-L197 PolarHBondContact O-N 3.18Å; L197-G199 PolarHBondContact O-N 3.18Å; L197-Y200 HydrophobicContact CD1-CD2 4.29Å; L197-Y200 PolarHBondContact O-N 3.28Å |
| 198 | S | 94.8 | Very high | 97.6 | Very high | 103 Ų | 103 | 27.3 Ų | 27.3 | 72% | 0.72 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 130.8 | 173.1 | -65.4 | 0 | 0 | 0 | 0 | 110 | Y200 | S198-Y200 VanDerWaalsContact C-N 3.34Å; S198-Y200 PolarHBondContact O-N 3.01Å |
| 199 | G | 94.2 | Very high | 97.6 | Very high | 66 Ų | 66 | 27.9 Ų | 27.9 | 68% | 0.68 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 12.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L197 | L197-G199 PolarHBondContact O-N 3.18Š|
| 200 | Y | 97.3 | Very high | 97.6 | Very high | 32 Ų | 32 | 31.5 Ų | 31.5 | 13% | 0.125 | 20% | 0.195 | C | C | . | . | trans | -53.4 | 128.7 | 173 | -166.7 | -96.8 | 0 | 0 | 0 | 110.9 | G149 E191 A194 L197 S198 F202 C204 | G149-Y200 WeakPolarHBondContact CA-O 3.48Å; G149-Y200 PolarHBondContact N-O 3.36Å; E191-Y200 PolarHBondContact OE2-OH 3.44Å; E191-Y200 VanDerWaalsContact OE2-OH 3.08Å; A194-Y200 HydrophobicContact CB-CD1 4.16Å; A194-Y200 HydrophobicContact CB-CD2 3.88Å; A194-Y200 HydrophobicContact CB-CE1 3.77Å; A194-Y200 HydrophobicContact CB-CE2 3.45Å; A194-Y200 VanDerWaalsContact CB-CE2 3.45Å; A194-Y200 HydrophobicContact CB-CG 4.19Å; L197-Y200 HydrophobicContact CD1-CD2 4.29Å; L197-Y200 PolarHBondContact O-N 3.28Å; S198-Y200 VanDerWaalsContact C-N 3.34Å; S198-Y200 PolarHBondContact O-N 3.01Å; Y200-F202 HydrophobicContact CD1-CD2 4.4Å; Y200-F202 WeakPolarHBondContact CD1-O 3.36Å; Y200-F202 HydrophobicContact CE1-CD1 4.2Å; Y200-F202 AromaticContact CE1-CD2 3.5Å; Y200-F202 HydrophobicContact CE1-CD2 3.5Å; Y200-F202 HydrophobicContact CE1-CE1 4.03Å; Y200-F202 AromaticContact CE1-CE2 3.31Å; Y200-F202 HydrophobicContact CE1-CE2 3.31Å; Y200-F202 AromaticContact CE1-CG 3.97Å; Y200-F202 HydrophobicContact CE1-CG 3.97Å; Y200-F202 AromaticContact CE1-CZ 3.6Å; Y200-F202 HydrophobicContact CE1-CZ 3.6Å; Y200-F202 HydrophobicContact CE2-CZ 4.41Å; Y200-F202 AromaticContact CZ-CE1 3.98Å; Y200-F202 AromaticContact CZ-CE2 3.5Å; Y200-F202 AromaticContact CZ-CZ 3.39Å; Y200-F202 PolarHBondContact O-N 2.59Å; Y200-F202 WeakPolarHBondContact OH-CE2 3.35Å; Y200-F202 WeakPolarHBondContact OH-CZ 3.45Å; Y200-C204 HydrophobicContact CD1-CB 3.75Å; Y200-C204 VanDerWaalsContact CD1-SG 3.59Å; Y200-C204 HydrophobicContact CE1-CB 3.9Å | ||
| 201 | P | 96.2 | Very high | 97.7 | Very high | 70 Ų | 70 | 32.9 Ų | 32.9 | 46% | 0.455 | 20% | 0.201 | S | C | . | . | trans | -77.4 | -27.3 | -157.6 | 22.1 | -28.2 | 0 | 0 | 0 | 115.1 | N148 | N148-P201 PolarHBondContact ND2-O 3.36Š| ||
| 202 | F | 96.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 31.9 Ų | 31.9 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -128 | -174.5 | -174.3 | 52.7 | -97.4 | 0 | 0 | 0 | 113 | D83 N148 Y200 C204 W349 V350 | D83-F202 HydrophobicContact CB-CB 3.86Å; D83-F202 HydrophobicContact CB-CD1 3.99Å; D83-F202 HydrophobicContact CB-CD2 3.78Å; D83-F202 HydrophobicContact CB-CE1 4.45Å; D83-F202 HydrophobicContact CB-CE2 4.24Å; D83-F202 HydrophobicContact CB-CG 3.62Å; N148-F202 WeakPolarHBondContact CA-O 3.2Å; N148-F202 VanDerWaalsContact CB-C 3.45Å; N148-F202 WeakPolarHBondContact CB-O 3.24Å; Y200-F202 HydrophobicContact CD1-CD2 4.4Å; Y200-F202 WeakPolarHBondContact CD1-O 3.36Å; Y200-F202 HydrophobicContact CE1-CD1 4.2Å; Y200-F202 AromaticContact CE1-CD2 3.5Å; Y200-F202 HydrophobicContact CE1-CD2 3.5Å; Y200-F202 HydrophobicContact CE1-CE1 4.03Å; Y200-F202 AromaticContact CE1-CE2 3.31Å; Y200-F202 HydrophobicContact CE1-CE2 3.31Å; Y200-F202 AromaticContact CE1-CG 3.97Å; Y200-F202 HydrophobicContact CE1-CG 3.97Å; Y200-F202 AromaticContact CE1-CZ 3.6Å; Y200-F202 HydrophobicContact CE1-CZ 3.6Å; Y200-F202 HydrophobicContact CE2-CZ 4.41Å; Y200-F202 AromaticContact CZ-CE1 3.98Å; Y200-F202 AromaticContact CZ-CE2 3.5Å; Y200-F202 AromaticContact CZ-CZ 3.39Å; Y200-F202 PolarHBondContact O-N 2.59Å; Y200-F202 WeakPolarHBondContact OH-CE2 3.35Å; Y200-F202 WeakPolarHBondContact OH-CZ 3.45Å; F202-C204 PolarHBondContact O-N 2.71Å; F202-W349 HydrophobicContact CB-CZ2 3.97Å; F202-V350 HydrophobicContact CB-CG1 4.09Å; F202-V350 HydrophobicContact CB-CG2 3.96Å; F202-V350 HydrophobicContact CD1-CG2 3.89Å; F202-V350 HydrophobicContact CG-CG2 4.3Å |
| 203 | Q | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -49.8 | 124 | -176.7 | -66.8 | 92.2 | -42.7 | 0 | 0 | 111.1 | S81 C82 W135 T136 G147 | S81-Q203 VanDerWaalsContact CB-NE2 3.3Å; S81-Q203 PolarHBondContact OG-NE2 3.49Å; C82-Q203 VanDerWaalsContact C-CD 3.5Å; C82-Q203 VanDerWaalsContact C-NE2 3.32Å; C82-Q203 VanDerWaalsContact C-OE1 3.31Å; C82-Q203 PolarHBondContact O-NE2 3.42Å; C82-Q203 PolarHBondContact O-OE1 2.67Å; W135-Q203 HydrophobicContact CB-CB 3.64Å; W135-Q203 HydrophobicContact CG-CB 4.37Å; W135-Q203 CarbonylContact O-C 3.55Å; T136-Q203 HydrophobicContact CG2-CB 4.08Å; T136-Q203 HydrophobicContact CG2-CG 3.95Å; G147-Q203 WeakPolarHBondContact O-CA 3.32Å |
| 204 | C | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 1% | 0.014 | 20% | 0.201 | C | C | . | . | trans | -154.3 | 153.4 | 174.8 | 60.7 | 0 | 0 | 0 | 0 | 110.6 | W135 T136 K142 G147 A194 Y200 F202 | W135-C204 CarbonylContact O-C 2.86Å; W135-C204 WeakPolarHBondContact O-CA 3.3Å; W135-C204 PolarHBondContact O-N 2.95Å; W135-C204 VanDerWaalsContact O-N 3.12Å; T136-C204 PolarHBondContact OG1-O 3.49Å; T136-C204 VanDerWaalsContact OG1-O 3.04Å; K142-C204 WeakPolarHBondContact CE-O 3.11Å; K142-C204 PolarHBondContact NZ-O 3.35Å; G147-C204 PolarHBondContact O-N 3.37Å; G147-C204 VanDerWaalsContact O-N 3.08Å; A194-C204 HydrophobicContact CB-CB 4.08Å; Y200-C204 HydrophobicContact CD1-CB 3.75Å; Y200-C204 VanDerWaalsContact CD1-SG 3.59Å; Y200-C204 HydrophobicContact CE1-CB 3.9Å; F202-C204 PolarHBondContact O-N 2.71Å | ||
| 205 | L | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -131.1 | 120.3 | 168.2 | -178.2 | 64.3 | 0 | 0 | 0 | 109.7 | W135 K142 L153 W165 E189 F207 | W135-L205 PolarHBondContact O-N 2.67Å; K142-L205 HydrophobicContact CD-CD1 4.09Å; K142-L205 HydrophobicContact CG-CD1 3.87Å; L153-L205 HydrophobicContact CD2-CD1 4.02Å; L153-L205 HydrophobicContact CD2-CD2 4.01Å; L153-L205 HydrophobicContact CG-CD1 4.07Å; L153-L205 HydrophobicContact CG-CD2 4.06Å; L153-L205 HydrophobicContact CG-CG 4.43Å; W165-L205 HydrophobicContact CZ2-CD2 4.15Å; E189-L205 HydrophobicContact CG-CB 4.29Å; E189-L205 WeakPolarHBondContact CG-O 3.24Å; E189-L205 VanDerWaalsContact OE1-CB 3.31Å; E189-L205 WeakPolarHBondContact OE1-CB 3.22Å; E189-L205 PolarHBondContact OE1-N 2.71Å; L205-F207 HydrophobicContact CB-CE2 4.27Å; L205-F207 HydrophobicContact CD2-CE2 3.59Å; L205-F207 HydrophobicContact CD2-CZ 3.8Å; L205-F207 HydrophobicContact CG-CD2 4.38Å; L205-F207 HydrophobicContact CG-CE2 3.58Å; L205-F207 HydrophobicContact CG-CZ 4.08Å | ||
| 206 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -78.5 | 130.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P152 P192 G195 | P152-G206 WeakPolarHBondContact CA-O 3.49Å; P152-G206 WeakPolarHBondContact CB-O 3.33Å; P192-G206 WeakPolarHBondContact O-CA 3.38Å; G195-G206 VanDerWaalsContact C-CA 3.42Å; G195-G206 VanDerWaalsContact CA-CA 3.48Å |
| 207 | F | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 32 Ų | 32 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | trans | -134.5 | 133.3 | 165.8 | -63.9 | -93.3 | 0 | 0 | 0 | 110.9 | L153 E189 P192 L205 H211 Q212 F215 | L153-F207 HydrophobicContact CD1-CE1 4.04Å; L153-F207 HydrophobicContact CD1-CZ 3.84Å; L153-F207 HydrophobicContact CG-CZ 4.22Å; E189-F207 HydrophobicContact CB-CD2 4.03Å; E189-F207 HydrophobicContact CB-CE2 3.95Å; E189-F207 HydrophobicContact CG-CD2 3.97Å; E189-F207 HydrophobicContact CG-CE2 3.95Å; P192-F207 HydrophobicContact CB-CB 3.88Å; P192-F207 HydrophobicContact CB-CD2 4.14Å; P192-F207 PolarHBondContact O-N 2.96Å; L205-F207 HydrophobicContact CB-CE2 4.27Å; L205-F207 HydrophobicContact CD2-CE2 3.59Å; L205-F207 HydrophobicContact CD2-CZ 3.8Å; L205-F207 HydrophobicContact CG-CD2 4.38Å; L205-F207 HydrophobicContact CG-CE2 3.58Å; L205-F207 HydrophobicContact CG-CZ 4.08Å; F207-H211 HydrophobicContact CB-CB 4.45Å; F207-H211 HydrophobicContact CD1-CB 4.17Å; F207-H211 AromaticContact CD1-CD2 3.77Å; F207-H211 AromaticContact CD1-CE1 3.95Å; F207-H211 AromaticContact CD1-CG 3.64Å; F207-H211 AromaticContact CD1-ND1 3.78Å; F207-H211 AromaticContact CD1-NE2 3.94Å; F207-H211 AromaticContact CE1-NE2 3.87Å; F207-Q212 HydrophobicContact CB-CB 4.16Å; F207-F215 HydrophobicContact CE1-CB 4.31Å; F207-F215 HydrophobicContact CE1-CD1 4.15Å; F207-F215 HydrophobicContact CE1-CG 4.24Å; F207-F215 HydrophobicContact CZ-CD1 4.34Å | ||
| 208 | T | 98.8 | Very high | 98 | Very high | 54 Ų | 54 | 32.4 Ų | 32.4 | 33% | 0.331 | 19% | 0.186 | S | C | . | . | trans | -74.2 | 162.2 | 158.5 | 81.4 | 0 | 0 | 0 | 0 | 108.8 | L196 E210 H211 Q212 | L196-T208 HydrophobicContact CD1-CG2 4.29Å; L196-T208 HydrophobicContact CD2-CG2 4.38Å; T208-E210 WeakPolarHBondContact CB-OE2 3.06Å; T208-E210 PolarHBondContact O-N 3.32Å; T208-E210 PolarHBondContact OG1-N 2.8Å; T208-E210 PolarHBondContact OG1-OE2 3.13Å; T208-H211 PolarHBondContact O-N 3.18Å; T208-H211 VanDerWaalsContact O-N 3.11Å; T208-H211 PolarHBondContact OG1-N 2.97Å; T208-Q212 PolarHBondContact O-N 3.48Å | ||
| 209 | P | 98.8 | Very high | 98.2 | Very high | 14 Ų | 14 | 27.5 Ų | 27.5 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -33.2 | 177.5 | 19.7 | -27.3 | 0 | 0 | 0 | 113 | R213 W247 V250 | P209-R213 WeakPolarHBondContact O-CB 3.01Å; P209-R213 PolarHBondContact O-N 3.43Å; P209-W247 HydrophobicContact CB-CD2 3.82Å; P209-W247 HydrophobicContact CB-CG 3.79Å; P209-W247 HydrophobicContact CB-CZ2 4.29Å; P209-W247 HydrophobicContact CG-CG 4.42Å; P209-V250 HydrophobicContact CB-CB 3.79Å; P209-V250 HydrophobicContact CB-CG1 3.75Å; P209-V250 HydrophobicContact CB-CG2 4.16Å; P209-V250 HydrophobicContact CG-CB 4.38Å; P209-V250 HydrophobicContact CG-CG1 4.31Å; P209-V250 HydrophobicContact CG-CG2 4.22Å |
| 210 | E | 98.9 | Very high | 98.5 | Very high | 76 Ų | 76 | 24.4 Ų | 24.4 | 36% | 0.355 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -68.4 | -39.4 | 175.3 | -56.9 | 72.2 | -157.9 | 0 | 0 | 111.6 | T208 R213 D214 V250 | T208-E210 WeakPolarHBondContact CB-OE2 3.06Å; T208-E210 PolarHBondContact O-N 3.32Å; T208-E210 PolarHBondContact OG1-N 2.8Å; T208-E210 PolarHBondContact OG1-OE2 3.13Å; E210-R213 WeakPolarHBondContact O-CB 3.28Å; E210-R213 PolarHBondContact O-N 3.48Å; E210-D214 WeakPolarHBondContact O-CB 3.47Å; E210-D214 PolarHBondContact O-N 3.35Å; E210-V250 HydrophobicContact CB-CG1 4.46Å; E210-V250 HydrophobicContact CG-CG1 3.91Å |
| 211 | H | 98.8 | Very high | 98.5 | Very high | 31 Ų | 31 | 23 Ų | 23 | 14% | 0.144 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.8 | -44.1 | 176.3 | -168.1 | 177.4 | 0 | 0 | 0 | 110.5 | H162 F207 T208 D214 F215 | H162-H211 AromaticContact CD2-NE2 3.65Å; H162-H211 AromaticContact CE1-NE2 3.9Å; H162-H211 AromaticContact NE2-CD2 3.83Å; H162-H211 AromaticContact NE2-CE1 3.69Å; H162-H211 AromaticContact NE2-NE2 2.82Å; H162-H211 PolarHBondContact NE2-NE2 3.01Å; F207-H211 HydrophobicContact CB-CB 4.45Å; F207-H211 HydrophobicContact CD1-CB 4.17Å; F207-H211 AromaticContact CD1-CD2 3.77Å; F207-H211 AromaticContact CD1-CE1 3.95Å; F207-H211 AromaticContact CD1-CG 3.64Å; F207-H211 AromaticContact CD1-ND1 3.78Å; F207-H211 AromaticContact CD1-NE2 3.94Å; F207-H211 AromaticContact CE1-NE2 3.87Å; T208-H211 PolarHBondContact O-N 3.18Å; T208-H211 VanDerWaalsContact O-N 3.11Å; T208-H211 PolarHBondContact OG1-N 2.97Å; H211-D214 PolarHBondContact O-N 3.36Å; H211-F215 VanDerWaalsContact O-CB 3.29Å; H211-F215 WeakPolarHBondContact O-CB 3.31Å; H211-F215 PolarHBondContact O-N 2.9Å |
| 212 | Q | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 175.1 | -166.3 | -176.8 | 94.1 | 0 | 0 | 111.4 | A188 F207 T208 D214 F215 I216 W247 | A188-Q212 HydrophobicContact CB-CG 4.11Å; F207-Q212 HydrophobicContact CB-CB 4.16Å; T208-Q212 PolarHBondContact O-N 3.48Å; Q212-D214 PolarHBondContact O-N 2.8Å; Q212-F215 PolarHBondContact O-N 3Å; Q212-I216 HydrophobicContact CG-CD1 3.79Å; Q212-I216 HydrophobicContact CG-CG1 4.2Å; Q212-I216 WeakPolarHBondContact O-CB 3.38Å; Q212-I216 VanDerWaalsContact O-CG1 3.25Å; Q212-I216 WeakPolarHBondContact O-CG1 3.25Å; Q212-I216 PolarHBondContact O-N 2.94Å; Q212-W247 HydrophobicContact CB-CH2 3.6Å; Q212-W247 HydrophobicContact CB-CZ2 4.35Å; Q212-W247 HydrophobicContact CB-CZ3 4.06Å; Q212-W247 HydrophobicContact CG-CH2 4Å; Q212-W247 HydrophobicContact CG-CZ3 4.15Å |
| 213 | R | 98.9 | Very high | 98.7 | Very high | 61 Ų | 61 | 21.3 Ų | 21.3 | 23% | 0.23 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -52.6 | -54.3 | 174.4 | 178.7 | -162 | 71.1 | -160.2 | -2.3 | 111.3 | P209 E210 I216 A217 V250 V251 D254 A257 | P209-R213 WeakPolarHBondContact O-CB 3.01Å; P209-R213 PolarHBondContact O-N 3.43Å; E210-R213 WeakPolarHBondContact O-CB 3.28Å; E210-R213 PolarHBondContact O-N 3.48Å; R213-I216 PolarHBondContact O-N 3.28Å; R213-A217 WeakPolarHBondContact O-CB 3.21Å; R213-A217 PolarHBondContact O-N 2.91Å; R213-V250 VanDerWaalsContact CD-O 3.31Å; R213-V250 WeakPolarHBondContact CD-O 3.32Å; R213-V251 HydrophobicContact CB-CB 4.41Å; R213-V251 HydrophobicContact CB-CG1 4.49Å; R213-V251 HydrophobicContact CB-CG2 4.04Å; R213-D254 WeakPolarHBondContact CD-OD2 3.48Å; R213-D254 HydrophobicContact CG-CB 3.95Å; R213-D254 IonicContact NE-OD2 3.79Å; R213-A257 HydrophobicContact CG-CB 3.79Å |
| 214 | D | 98.9 | Very high | 98.7 | Very high | 23 Ų | 23 | 21.6 Ų | 21.6 | 12% | 0.123 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.8 | -37.4 | -175.6 | -78.6 | 10.6 | 0 | 0 | 0 | 111.6 | P157 E210 H211 Q212 A217 R218 | P157-D214 HydrophobicContact CB-CB 3.79Å; P157-D214 HydrophobicContact CG-CB 3.63Å; E210-D214 WeakPolarHBondContact O-CB 3.47Å; E210-D214 PolarHBondContact O-N 3.35Å; H211-D214 PolarHBondContact O-N 3.36Å; Q212-D214 PolarHBondContact O-N 2.8Å; D214-A217 PolarHBondContact O-N 3.43Å; D214-R218 VanDerWaalsContact O-CB 3.23Å; D214-R218 WeakPolarHBondContact O-CB 3.4Å; D214-R218 WeakPolarHBondContact O-CG 3.13Å; D214-R218 PolarHBondContact O-N 3.32Å; D214-R218 IonicContact OD1-NH2 3.73Å; D214-R218 IonicContact OD2-CZ 3.35Å; D214-R218 IonicContact OD2-NH1 3.53Å; D214-R218 PolarHBondContact OD2-NH1 3.14Å; D214-R218 IonicContact OD2-NH2 2.91Å; D214-R218 PolarHBondContact OD2-NH2 2.75Å |
| 215 | F | 98.9 | Very high | 98.7 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.9 | -44.1 | 173.8 | 172.8 | -121.1 | 0 | 0 | 0 | 111.8 | H162 W165 A166 F207 H211 Q212 D219 L220 | H162-F215 HydrophobicContact CB-CD2 4.19Å; H162-F215 HydrophobicContact CB-CE2 4.5Å; H162-F215 AromaticContact CD2-CD2 3.99Å; W165-F215 HydrophobicContact CB-CE2 4.49Å; W165-F215 AromaticContact CD1-CE1 3.86Å; W165-F215 AromaticContact CD1-CE2 3.82Å; W165-F215 AromaticContact CD1-CZ 3.27Å; W165-F215 HydrophobicContact CG-CZ 4.18Å; W165-F215 AromaticContact NE1-CZ 3.94Å; A166-F215 HydrophobicContact CB-CE2 4.25Å; F207-F215 HydrophobicContact CE1-CB 4.31Å; F207-F215 HydrophobicContact CE1-CD1 4.15Å; F207-F215 HydrophobicContact CE1-CG 4.24Å; F207-F215 HydrophobicContact CZ-CD1 4.34Å; H211-F215 VanDerWaalsContact O-CB 3.29Å; H211-F215 WeakPolarHBondContact O-CB 3.31Å; H211-F215 PolarHBondContact O-N 2.9Å; Q212-F215 PolarHBondContact O-N 3Å; F215-D219 HydrophobicContact CD2-CB 3.7Å; F215-D219 HydrophobicContact CE2-CB 3.82Å; F215-D219 CarbonylContact O-C 3.59Å; F215-D219 WeakPolarHBondContact O-CA 3.35Å; F215-D219 WeakPolarHBondContact O-CB 3.23Å; F215-D219 PolarHBondContact O-N 3.32Å; F215-L220 HydrophobicContact CD1-CB 4.29Å; F215-L220 HydrophobicContact CD1-CD2 4.49Å; F215-L220 HydrophobicContact CE1-CB 3.8Å; F215-L220 HydrophobicContact CE1-CD2 3.74Å; F215-L220 HydrophobicContact CE1-CG 4.32Å; F215-L220 HydrophobicContact CE2-CB 4.19Å; F215-L220 HydrophobicContact CZ-CB 3.72Å; F215-L220 HydrophobicContact CZ-CD2 4.23Å; F215-L220 HydrophobicContact CZ-CG 4.38Å; F215-L220 PolarHBondContact O-N 2.83Å |
| 216 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -62.7 | -50.4 | 175.8 | -69.3 | 173.7 | 0 | 0 | 0 | 110.5 | A188 Q212 R213 R218 G221 P222 L234 M236 V251 A257 V261 | A188-I216 HydrophobicContact CB-CD1 4.24Å; A188-I216 HydrophobicContact CB-CG1 4.48Å; Q212-I216 HydrophobicContact CG-CD1 3.79Å; Q212-I216 HydrophobicContact CG-CG1 4.2Å; Q212-I216 WeakPolarHBondContact O-CB 3.38Å; Q212-I216 VanDerWaalsContact O-CG1 3.25Å; Q212-I216 WeakPolarHBondContact O-CG1 3.25Å; Q212-I216 PolarHBondContact O-N 2.94Å; R213-I216 PolarHBondContact O-N 3.28Å; I216-R218 PolarHBondContact O-N 2.78Å; I216-G221 WeakPolarHBondContact O-CA 3.34Å; I216-G221 PolarHBondContact O-N 2.96Å; I216-P222 WeakPolarHBondContact O-CD 3.4Å; I216-L234 HydrophobicContact CD1-CD2 4.37Å; I216-L234 HydrophobicContact CG1-CD2 4.12Å; I216-L234 HydrophobicContact CG2-CD2 3.86Å; I216-M236 HydrophobicContact CD1-CB 4.22Å; I216-V251 HydrophobicContact CD1-CG1 4.36Å; I216-A257 HydrophobicContact CG2-CB 4.33Å; I216-V261 HydrophobicContact CD1-CG2 4.1Å; I216-V261 HydrophobicContact CG2-CG2 4.02Å |
| 217 | A | 98.8 | Very high | 98.1 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 11% | 0.107 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -65.2 | -40.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R213 D214 P222 E256 A257 | R213-A217 WeakPolarHBondContact O-CB 3.21Å; R213-A217 PolarHBondContact O-N 2.91Å; D214-A217 PolarHBondContact O-N 3.43Å; A217-P222 WeakPolarHBondContact O-CD 3.27Å; A217-P222 WeakPolarHBondContact O-CG 3.32Å; A217-E256 HydrophobicContact CB-CB 4.12Å; A217-A257 HydrophobicContact CB-CB 4.07Å |
| 218 | R | 98.8 | Very high | 97.9 | Very high | 112 Ų | 112 | 37 Ų | 37 | 42% | 0.423 | 21% | 0.205 | S | C | . | . | I | π-helix | trans | -99.7 | -25.7 | -168.8 | -59.8 | -178.2 | -173 | 154.4 | 15.2 | 114.1 | P157 R158 Q163 D214 I216 | P157-R218 HydrophobicContact CB-CB 4.47Å; R158-R218 HydrophobicContact CB-CB 4.25Å; Q163-R218 PolarHBondContact NE2-O 2.91Å; D214-R218 VanDerWaalsContact O-CB 3.23Å; D214-R218 WeakPolarHBondContact O-CB 3.4Å; D214-R218 WeakPolarHBondContact O-CG 3.13Å; D214-R218 PolarHBondContact O-N 3.32Å; D214-R218 IonicContact OD1-NH2 3.73Å; D214-R218 IonicContact OD2-CZ 3.35Å; D214-R218 IonicContact OD2-NH1 3.53Å; D214-R218 PolarHBondContact OD2-NH1 3.14Å; D214-R218 IonicContact OD2-NH2 2.91Å; D214-R218 PolarHBondContact OD2-NH2 2.75Å; I216-R218 PolarHBondContact O-N 2.78Å |
| 219 | D | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -126.1 | -69.5 | -170 | -53.9 | -70.7 | 0 | 0 | 0 | 111.8 | P157 R158 H162 Q163 A166 F215 T223 | P157-D219 WeakPolarHBondContact CA-OD2 3.48Å; R158-D219 WeakPolarHBondContact CA-OD1 3.4Å; R158-D219 VanDerWaalsContact N-CG 3.34Å; R158-D219 PolarHBondContact N-OD1 2.98Å; R158-D219 PolarHBondContact N-OD2 3.46Å; H162-D219 HydrophobicContact CB-CB 4.27Å; H162-D219 VanDerWaalsContact CB-OD2 3.27Å; H162-D219 WeakPolarHBondContact CB-OD2 3.47Å; H162-D219 IonicContact CG-OD2 2.77Å; Q163-D219 VanDerWaalsContact CD-OD1 3.26Å; Q163-D219 WeakPolarHBondContact CG-OD1 3.2Å; Q163-D219 PolarHBondContact NE2-OD1 2.88Å; A166-D219 HydrophobicContact CB-CB 4.1Å; F215-D219 HydrophobicContact CD2-CB 3.7Å; F215-D219 HydrophobicContact CE2-CB 3.82Å; F215-D219 CarbonylContact O-C 3.59Å; F215-D219 WeakPolarHBondContact O-CA 3.35Å; F215-D219 WeakPolarHBondContact O-CB 3.23Å; F215-D219 PolarHBondContact O-N 3.32Å; D219-T223 WeakPolarHBondContact O-CB 3.33Å; D219-T223 PolarHBondContact O-N 2.77Å; D219-T223 PolarHBondContact O-OG1 2.95Å |
| 220 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -65.7 | -49.4 | -169.8 | -177.8 | 56.5 | 0 | 0 | 0 | 112.8 | A166 I169 A188 F215 T223 L224 L234 | A166-L220 HydrophobicContact CB-CD1 4.48Å; I169-L220 HydrophobicContact CB-CD1 4.23Å; I169-L220 HydrophobicContact CD1-CD1 3.6Å; I169-L220 HydrophobicContact CD1-CD2 4.16Å; I169-L220 HydrophobicContact CG1-CD1 4.5Å; I169-L220 HydrophobicContact CG2-CD1 4.22Å; A188-L220 HydrophobicContact CB-CD2 4.37Å; F215-L220 HydrophobicContact CD1-CB 4.29Å; F215-L220 HydrophobicContact CD1-CD2 4.49Å; F215-L220 HydrophobicContact CE1-CB 3.8Å; F215-L220 HydrophobicContact CE1-CD2 3.74Å; F215-L220 HydrophobicContact CE1-CG 4.32Å; F215-L220 HydrophobicContact CE2-CB 4.19Å; F215-L220 HydrophobicContact CZ-CB 3.72Å; F215-L220 HydrophobicContact CZ-CD2 4.23Å; F215-L220 HydrophobicContact CZ-CG 4.38Å; F215-L220 PolarHBondContact O-N 2.83Å; L220-T223 PolarHBondContact O-N 3.37Å; L220-L224 HydrophobicContact CD1-CD1 3.74Å; L220-L224 HydrophobicContact CD1-CG 3.98Å; L220-L224 HydrophobicContact CG-CD1 3.92Å; L220-L224 WeakPolarHBondContact O-CB 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.41Å; L220-L224 PolarHBondContact O-N 3.45Å; L220-L234 HydrophobicContact CD2-CD1 3.63Å; L220-L234 HydrophobicContact CD2-CD2 4.05Å; L220-L234 HydrophobicContact CG-CD1 4.41Å; L220-L234 HydrophobicContact CG-CD2 4.25Å |
| 221 | G | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 42 Ų | 42 | 3% | 0.031 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.5 | -56.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I216 T223 L224 A225 Y260 | I216-G221 WeakPolarHBondContact O-CA 3.34Å; I216-G221 PolarHBondContact O-N 2.96Å; G221-T223 VanDerWaalsContact C-N 3.32Å; G221-T223 PolarHBondContact O-N 3.09Å; G221-L224 PolarHBondContact O-N 2.71Å; G221-A225 VanDerWaalsContact O-CB 3.31Å; G221-A225 WeakPolarHBondContact O-CB 3.29Å; G221-A225 PolarHBondContact O-N 3.28Å; G221-Y260 VanDerWaalsContact CA-CG 3.46Å |
| 222 | P | 98.6 | Very high | 97.6 | Very high | 28 Ų | 28 | 41.4 Ų | 41.4 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.4 | -38.3 | 176 | -24.5 | 33.1 | 0 | 0 | 0 | 113.6 | I216 A217 A225 N226 Y260 | I216-P222 WeakPolarHBondContact O-CD 3.4Å; A217-P222 WeakPolarHBondContact O-CD 3.27Å; A217-P222 WeakPolarHBondContact O-CG 3.32Å; P222-A225 PolarHBondContact O-N 3.48Å; P222-N226 VanDerWaalsContact O-CB 3.31Å; P222-N226 WeakPolarHBondContact O-CB 3.36Å; P222-N226 PolarHBondContact O-N 3.29Å; P222-N226 PolarHBondContact O-ND2 2.84Å; P222-Y260 HydrophobicContact CG-CE2 3.97Å |
| 223 | T | 98.6 | Very high | 97.6 | Very high | 24 Ų | 24 | 47 Ų | 47 | 15% | 0.147 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68 | -40.8 | -179.2 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | A166 R167 V170 D219 L220 G221 G227 | A166-T223 HydrophobicContact CB-CG2 4.07Å; R167-T223 HydrophobicContact CG-CG2 4.24Å; V170-T223 HydrophobicContact CG2-CG2 3.65Å; D219-T223 WeakPolarHBondContact O-CB 3.33Å; D219-T223 PolarHBondContact O-N 2.77Å; D219-T223 PolarHBondContact O-OG1 2.95Å; L220-T223 PolarHBondContact O-N 3.37Å; G221-T223 VanDerWaalsContact C-N 3.32Å; G221-T223 PolarHBondContact O-N 3.09Å; T223-G227 PolarHBondContact O-N 3.11Å |
| 224 | L | 97.9 | Very high | 97.6 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.9 | -45.2 | 173 | -74.1 | 170.3 | 0 | 0 | 0 | 111.8 | I169 V170 L173 V186 L220 G221 N226 G227 H230 | I169-L224 HydrophobicContact CG2-CD2 4.48Å; V170-L224 HydrophobicContact CG2-CD2 4.14Å; L173-L224 HydrophobicContact CD1-CD2 3.76Å; V186-L224 HydrophobicContact CG2-CD1 4.25Å; L220-L224 HydrophobicContact CD1-CD1 3.74Å; L220-L224 HydrophobicContact CD1-CG 3.98Å; L220-L224 HydrophobicContact CG-CD1 3.92Å; L220-L224 WeakPolarHBondContact O-CB 3.28Å; L220-L224 WeakPolarHBondContact O-CG 3.41Å; L220-L224 PolarHBondContact O-N 3.45Å; G221-L224 PolarHBondContact O-N 2.71Å; L224-N226 VanDerWaalsContact C-N 3.32Å; L224-N226 PolarHBondContact O-N 2.85Å; L224-G227 PolarHBondContact O-N 2.86Å; L224-H230 WeakPolarHBondContact O-CA 3.27Å; L224-H230 PolarHBondContact O-N 3.44Å |
| 225 | A | 97.4 | Very high | 97.6 | Very high | 45 Ų | 45 | 43.2 Ų | 43.2 | 37% | 0.372 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.6 | -32.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G221 P222 H230 Y260 | G221-A225 VanDerWaalsContact O-CB 3.31Å; G221-A225 WeakPolarHBondContact O-CB 3.29Å; G221-A225 PolarHBondContact O-N 3.28Å; P222-A225 PolarHBondContact O-N 3.48Å; A225-H230 WeakPolarHBondContact O-CB 3.35Å; A225-Y260 HydrophobicContact CB-CE1 3.94Å |
| 226 | N | 95.4 | Very high | 97.6 | Very high | 146 Ų | 146 | 43.1 Ų | 43.1 | 78% | 0.781 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -10.2 | 178 | -67.7 | -16.9 | 0 | 0 | 0 | 113.4 | P222 L224 | P222-N226 VanDerWaalsContact O-CB 3.31Å; P222-N226 WeakPolarHBondContact O-CB 3.36Å; P222-N226 PolarHBondContact O-N 3.29Å; P222-N226 PolarHBondContact O-ND2 2.84Å; L224-N226 VanDerWaalsContact C-N 3.32Å; L224-N226 PolarHBondContact O-N 2.85Å |
| 227 | G | 90.9 | Very high | 97.6 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 24% | 0.237 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -89 | 174.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | T223 L224 H229 H230 | T223-G227 PolarHBondContact O-N 3.11Å; L224-G227 PolarHBondContact O-N 2.86Å; G227-H229 PolarHBondContact O-N 3.37Å; G227-H230 PolarHBondContact O-N 2.93Å |
| 228 | T | 94.4 | Very high | 97.6 | Very high | 111 Ų | 111 | 42.5 Ų | 42.5 | 68% | 0.681 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.5 | 173.4 | 46.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 229 | H | 96.8 | Very high | 97.6 | Very high | 29 Ų | 29 | 37.2 Ų | 37.2 | 13% | 0.134 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 21.2 | -177.6 | -54.9 | -70.2 | 0 | 0 | 0 | 113.8 | L173 D174 G227 N231 V232 | L173-H229 HydrophobicContact CB-CB 4.36Å; L173-H229 HydrophobicContact CD1-CB 3.76Å; L173-H229 PolarHBondContact O-CE1 3.03Å; D174-H229 PolarHBondContact N-NE2 2.92Å; D174-H229 IonicContact OD1-CD2 3.19Å; D174-H229 PolarHBondContact OD1-CD2 2.75Å; D174-H229 IonicContact OD1-CE1 3.94Å; D174-H229 IonicContact OD1-NE2 3.1Å; D174-H229 PolarHBondContact OD1-NE2 3.05Å; G227-H229 PolarHBondContact O-N 3.37Å; H229-N231 PolarHBondContact O-N 3.3Å; H229-V232 HydrophobicContact CB-CG2 3.91Å; H229-V232 VanDerWaalsContact O-CB 3.32Å; H229-V232 WeakPolarHBondContact O-CB 3.43Å; H229-V232 WeakPolarHBondContact O-CG2 3.08Å; H229-V232 PolarHBondContact O-N 2.91Å |
| 230 | H | 95.8 | Very high | 97.5 | Very high | 107 Ų | 107 | 37.8 Ų | 37.8 | 50% | 0.495 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -14.3 | -177.6 | 67.5 | 75.5 | 0 | 0 | 0 | 115.1 | L224 A225 G227 | L224-H230 WeakPolarHBondContact O-CA 3.27Å; L224-H230 PolarHBondContact O-N 3.44Å; A225-H230 WeakPolarHBondContact O-CB 3.35Å; G227-H230 PolarHBondContact O-N 2.93Å |
| 231 | N | 97.1 | Very high | 97.3 | Very high | 115 Ų | 115 | 38.4 Ų | 38.4 | 62% | 0.615 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -16.8 | 175.2 | -69 | -40.2 | 0 | 0 | 0 | 113.4 | H229 R233 | H229-N231 PolarHBondContact O-N 3.3Å; N231-R233 PolarHBondContact O-N 3.3Å |
| 232 | V | 98.4 | Very high | 97.2 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 11% | 0.109 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -66 | 127.9 | 176.5 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | L173 F183 V186 H229 | L173-V232 HydrophobicContact CD1-CG1 4.46Å; L173-V232 HydrophobicContact CD1-CG2 4.27Å; L173-V232 HydrophobicContact CD2-CG2 4.49Å; F183-V232 HydrophobicContact CB-CG1 4.31Å; F183-V232 HydrophobicContact CB-CG2 4.39Å; V186-V232 HydrophobicContact CG1-CG1 4.02Å; V186-V232 HydrophobicContact CG2-CG1 4.27Å; H229-V232 HydrophobicContact CB-CG2 3.91Å; H229-V232 VanDerWaalsContact O-CB 3.32Å; H229-V232 WeakPolarHBondContact O-CB 3.43Å; H229-V232 WeakPolarHBondContact O-CG2 3.08Å; H229-V232 PolarHBondContact O-N 2.91Å |
| 233 | R | 98.7 | Very high | 97.2 | Very high | 117 Ų | 117 | 42.3 Ų | 42.3 | 44% | 0.442 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 144.8 | -179.6 | -54 | -55.6 | -176.5 | -176.9 | -3 | 110.6 | W184 A185 V186 N231 H262 | W184-R233 WeakPolarHBondContact O-CG 3.37Å; W184-R233 PolarHBondContact O-N 3.19Å; A185-R233 CarbonylContact C-O 3.56Å; A185-R233 WeakPolarHBondContact CA-O 3.08Å; A185-R233 HydrophobicContact CB-CB 3.94Å; V186-R233 PolarHBondContact N-O 3.11Å; N231-R233 PolarHBondContact O-N 3.3Å; R233-H262 HydrophobicContact CB-CB 3.83Å; R233-H262 HydrophobicContact CG-CB 4.37Å |
| 234 | L | 98.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.8 | 173 | 178 | 61.9 | 0 | 0 | 0 | 110.2 | V186 A188 I216 L220 H262 | V186-L234 HydrophobicContact CG2-CD1 4.02Å; V186-L234 WeakPolarHBondContact O-CA 3.48Å; A188-L234 HydrophobicContact CB-CD1 4.28Å; I216-L234 HydrophobicContact CD1-CD2 4.37Å; I216-L234 HydrophobicContact CG1-CD2 4.12Å; I216-L234 HydrophobicContact CG2-CD2 3.86Å; L220-L234 HydrophobicContact CD2-CD1 3.63Å; L220-L234 HydrophobicContact CD2-CD2 4.05Å; L220-L234 HydrophobicContact CG-CD1 4.41Å; L220-L234 HydrophobicContact CG-CD2 4.25Å; L234-H262 PolarHBondContact O-N 3.43Å |
| 235 | L | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 130.7 | 171.9 | -49.7 | -173.1 | 0 | 0 | 0 | 109.9 | L131 A185 V186 T187 A188 G263 A265 M291 F293 | L131-L235 HydrophobicContact CD1-CD1 4.06Å; L131-L235 HydrophobicContact CD2-CD1 4.44Å; A185-L235 HydrophobicContact CB-CD1 4.47Å; A185-L235 HydrophobicContact CB-CG 4.31Å; V186-L235 PolarHBondContact O-N 3.39Å; T187-L235 CarbonylContact C-O 3.5Å; T187-L235 VanDerWaalsContact CA-O 3.28Å; T187-L235 WeakPolarHBondContact CA-O 3.49Å; T187-L235 HydrophobicContact CG2-CB 4.16Å; A188-L235 PolarHBondContact N-O 3.46Å; L235-G263 WeakPolarHBondContact CA-O 3.31Å; L235-A265 HydrophobicContact CB-CB 4Å; L235-A265 HydrophobicContact CD1-CB 4.2Å; L235-M291 HydrophobicContact CD2-CE 3.76Å; L235-M291 HydrophobicContact CD2-SD 4.37Å; L235-F293 HydrophobicContact CD1-CB 4.48Å; L235-F293 HydrophobicContact CD1-CD1 4.18Å |
| 236 | M | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 174.7 | 174.3 | 69.2 | 166.4 | -74.2 | 0 | 0 | 111.3 | I216 D238 W247 V251 L252 V261 G263 I264 A265 | I216-M236 HydrophobicContact CD1-CB 4.22Å; M236-D238 PolarHBondContact O-N 3.46Å; M236-D238 VanDerWaalsContact O-N 3.08Å; M236-W247 HydrophobicContact CE-CE3 3.74Å; M236-W247 HydrophobicContact CE-CZ3 4.4Å; M236-V251 HydrophobicContact CE-CB 3.49Å; M236-V251 VanDerWaalsContact CE-CB 3.49Å; M236-V251 HydrophobicContact CE-CG1 3.99Å; M236-V251 HydrophobicContact CE-CG2 3.42Å; M236-V251 VanDerWaalsContact CE-CG2 3.42Å; M236-V251 HydrophobicContact SD-CB 3.73Å; M236-V251 HydrophobicContact SD-CG1 3.71Å; M236-V251 HydrophobicContact SD-CG2 4.28Å; M236-L252 HydrophobicContact SD-CD1 4.28Å; M236-L252 HydrophobicContact SD-CD2 3.87Å; M236-L252 HydrophobicContact SD-CG 3.86Å; M236-V261 HydrophobicContact CB-CG1 4Å; M236-V261 HydrophobicContact CB-CG2 4.38Å; M236-V261 HydrophobicContact CG-CG1 3.67Å; M236-V261 HydrophobicContact SD-CG1 4.03Å; M236-G263 PolarHBondContact N-O 2.99Å; M236-I264 HydrophobicContact CG-CB 4.29Å; M236-I264 HydrophobicContact CG-CG1 3.73Å; M236-I264 HydrophobicContact SD-CG1 3.99Å; M236-A265 PolarHBondContact O-N 2.86Å |
| 237 | L | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 68.4 | -85.5 | -177.9 | -173.5 | 65.1 | 0 | 0 | 0 | 114.1 | P192 D239 L243 L244 W247 I264 A265 V266 | P192-L237 WeakPolarHBondContact CD-O 3.45Å; P192-L237 VanDerWaalsContact CG-O 3.25Å; P192-L237 WeakPolarHBondContact CG-O 3.36Å; L237-D239 VanDerWaalsContact C-N 3.31Å; L237-D239 HydrophobicContact CD1-CB 3.72Å; L237-D239 HydrophobicContact CG-CB 3.99Å; L237-D239 PolarHBondContact O-N 2.91Å; L237-L243 HydrophobicContact CD1-CB 4.05Å; L237-L243 HydrophobicContact CD1-CD1 3.95Å; L237-L244 HydrophobicContact CD2-CD1 4.08Å; L237-L244 HydrophobicContact CD2-CD2 3.8Å; L237-L244 HydrophobicContact CD2-CG 3.72Å; L237-W247 VanDerWaalsContact CA-CZ3 3.43Å; L237-W247 HydrophobicContact CB-CE3 3.87Å; L237-W247 HydrophobicContact CB-CZ3 4.18Å; L237-W247 HydrophobicContact CD1-CB 4.07Å; L237-W247 HydrophobicContact CD1-CD2 3.59Å; L237-W247 HydrophobicContact CD1-CE3 3.47Å; L237-W247 VanDerWaalsContact CD1-CE3 3.47Å; L237-W247 HydrophobicContact CD1-CG 3.83Å; L237-W247 HydrophobicContact CD1-CZ3 4.03Å; L237-W247 HydrophobicContact CG-CE3 4.28Å; L237-I264 HydrophobicContact CB-CG2 3.89Å; L237-I264 HydrophobicContact CD2-CG2 3.83Å; L237-A265 WeakPolarHBondContact CB-O 3.29Å; L237-A265 WeakPolarHBondContact CG-O 3.4Å; L237-V266 HydrophobicContact CD2-CG1 4.05Å |
| 238 | D | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 53.3 | 48.1 | -174.1 | -154.6 | 37.6 | 0 | 0 | 0 | 112.3 | S133 T187 E189 E191 M236 A265 H267 S295 | S133-D238 WeakPolarHBondContact CB-OD2 3.47Å; S133-D238 PolarHBondContact OG-OD2 3.27Å; T187-D238 VanDerWaalsContact CB-OD2 3.22Å; T187-D238 WeakPolarHBondContact CB-OD2 3.5Å; T187-D238 HydrophobicContact CG2-CB 3.99Å; T187-D238 VanDerWaalsContact CG2-CG 3.47Å; T187-D238 VanDerWaalsContact CG2-OD2 3.25Å; T187-D238 WeakPolarHBondContact CG2-OD2 3.38Å; T187-D238 PolarHBondContact OG1-OD2 3.24Å; E189-D238 WeakPolarHBondContact O-CB 3.37Å; E191-D238 WeakPolarHBondContact CA-O 3.39Å; E191-D238 PolarHBondContact N-O 3.14Å; M236-D238 PolarHBondContact O-N 3.46Å; M236-D238 VanDerWaalsContact O-N 3.08Å; D238-A265 WeakPolarHBondContact CA-O 3.22Å; D238-A265 HydrophobicContact CB-CB 3.85Å; D238-A265 PolarHBondContact N-O 3.45Å; D238-A265 WeakPolarHBondContact OD1-CB 3.42Å; D238-H267 PolarHBondContact O-CE1 3.08Å; D238-H267 VanDerWaalsContact O-CE1 3.27Å; D238-H267 PolarHBondContact O-NE2 3.33Å; D238-H267 IonicContact OD1-CD2 2.66Å; D238-H267 IonicContact OD1-NE2 3.78Å; D238-H267 PolarHBondContact OD1-NE2 3.41Å; D238-H267 VanDerWaalsContact OD1-NE2 3.1Å; D238-S295 WeakPolarHBondContact OD1-CB 3.44Å; D238-S295 PolarHBondContact OD1-OG 3.47Å |
| 239 | D | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 177.1 | -172 | -151.1 | -33.9 | 0 | 0 | 0 | 109.8 | E191 P192 S193 L237 R241 L243 V266 H267 | E191-D239 VanDerWaalsContact C-OD2 3.28Å; E191-D239 WeakPolarHBondContact CA-OD2 3.45Å; P192-D239 HydrophobicContact CG-CB 4.47Å; S193-D239 WeakPolarHBondContact CB-OD2 3.29Å; S193-D239 PolarHBondContact N-OD2 3.28Å; S193-D239 PolarHBondContact OG-OD1 2.8Å; S193-D239 PolarHBondContact OG-OD2 3.36Å; L237-D239 VanDerWaalsContact C-N 3.31Å; L237-D239 HydrophobicContact CD1-CB 3.72Å; L237-D239 HydrophobicContact CG-CB 3.99Å; L237-D239 PolarHBondContact O-N 2.91Å; D239-R241 PolarHBondContact O-N 2.91Å; D239-L243 HydrophobicContact CB-CD1 3.89Å; D239-V266 CarbonylContact O-C 3.57Å; D239-V266 WeakPolarHBondContact O-CA 3.47Å; D239-H267 PolarHBondContact O-N 2.54Å |
| 240 | Q | 97.5 | Very high | 98.1 | Very high | 11 Ų | 11 | 36.8 Ų | 36.8 | 5% | 0.051 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 134.6 | -175.7 | -50.5 | -45.4 | -50.6 | 0 | 0 | 112.6 | E191 L242 L243 L270 | E191-Q240 PolarHBondContact OE1-NE2 3.32Å; Q240-L242 HydrophobicContact CB-CD2 3.16Å; Q240-L242 HydrophobicContact CG-CD2 4.1Å; Q240-L242 PolarHBondContact O-N 2.9Å; Q240-L243 PolarHBondContact O-N 3.28Å; Q240-L243 VanDerWaalsContact O-N 3.11Å; Q240-L270 HydrophobicContact CB-CB 4.4Å; Q240-L270 HydrophobicContact CB-CD1 4.34Å; Q240-L270 HydrophobicContact CG-CB 4.4Å; Q240-L270 HydrophobicContact CG-CD1 3.89Å; Q240-L270 HydrophobicContact CG-CG 4.01Å |
| 241 | R | 95.3 | Very high | 98.2 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 5% | 0.049 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -63.6 | -12.2 | -177.7 | 69.7 | 174.7 | 177.3 | 73.1 | 6.7 | 115.5 | D239 L243 L244 V266 H267 D271 A274 P275 T279 L280 | D239-R241 PolarHBondContact O-N 2.91Å; R241-L243 PolarHBondContact O-N 3.02Å; R241-L244 WeakPolarHBondContact O-CB 3.18Å; R241-L244 PolarHBondContact O-N 3.43Å; R241-L244 VanDerWaalsContact O-N 3.09Å; R241-V266 HydrophobicContact CB-CB 4.35Å; R241-V266 HydrophobicContact CB-CG1 4.39Å; R241-H267 PolarHBondContact N-O 3.29Å; R241-D271 WeakPolarHBondContact CD-OD1 3.41Å; R241-D271 WeakPolarHBondContact CG-OD1 3.45Å; R241-D271 IonicContact CZ-OD1 3.66Å; R241-D271 IonicContact CZ-OD2 2.65Å; R241-D271 IonicContact NE-OD1 2.82Å; R241-D271 PolarHBondContact NE-OD1 2.97Å; R241-D271 IonicContact NE-OD2 2.94Å; R241-D271 PolarHBondContact NE-OD2 3.47Å; R241-D271 PolarHBondContact NH2-O 3.34Å; R241-D271 IonicContact NH2-OD1 3.84Å; R241-D271 IonicContact NH2-OD2 3.87Å; R241-D271 PolarHBondContact NH2-OD2 2.85Å; R241-A274 PolarHBondContact NH1-O 3.37Å; R241-A274 PolarHBondContact NH2-O 3.1Å; R241-P275 PolarHBondContact NH1-O 3.15Å; R241-T279 PolarHBondContact NH1-OG1 3.47Å; R241-T279 WeakPolarHBondContact O-CB 3.26Å; R241-T279 WeakPolarHBondContact O-CG2 3.49Å; R241-L280 HydrophobicContact CB-CD2 4.29Å |
| 242 | L | 96.4 | Very high | 98.3 | Very high | 71 Ų | 71 | 27 Ų | 27 | 37% | 0.372 | 13% | 0.127 | S | C | . | . | G | 310 helix | trans | -63.9 | -20.7 | 173.4 | 85.9 | 169.2 | 0 | 0 | 0 | 113.2 | Q240 L244 L270 L273 | Q240-L242 HydrophobicContact CB-CD2 3.16Å; Q240-L242 HydrophobicContact CG-CD2 4.1Å; Q240-L242 PolarHBondContact O-N 2.9Å; L242-L244 PolarHBondContact O-N 2.64Å; L242-L270 HydrophobicContact CD1-CD1 4.11Å; L242-L270 HydrophobicContact CD2-CB 4.29Å; L242-L270 HydrophobicContact CD2-CD1 3.9Å; L242-L273 HydrophobicContact CD1-CD1 4.22Å |
| 243 | L | 97.9 | Very high | 98.3 | Very high | 43 Ų | 43 | 30.9 Ų | 30.9 | 23% | 0.225 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -74.1 | -12.1 | 176.1 | -61.4 | 175.9 | 0 | 0 | 0 | 112.1 | L237 D239 Q240 R241 H246 W247 | L237-L243 HydrophobicContact CD1-CB 4.05Å; L237-L243 HydrophobicContact CD1-CD1 3.95Å; D239-L243 HydrophobicContact CB-CD1 3.89Å; Q240-L243 PolarHBondContact O-N 3.28Å; Q240-L243 VanDerWaalsContact O-N 3.11Å; R241-L243 PolarHBondContact O-N 3.02Å; L243-H246 PolarHBondContact O-N 3.21Å; L243-W247 HydrophobicContact CB-CB 4.49Å; L243-W247 HydrophobicContact CB-CG 4.41Å; L243-W247 PolarHBondContact O-N 2.89Å |
| 244 | L | 98.3 | Very high | 98.3 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 148.5 | 173.6 | -67.3 | 178.8 | 0 | 0 | 0 | 112 | L237 R241 L242 A248 I264 V266 L280 T283 L292 | L237-L244 HydrophobicContact CD2-CD1 4.08Å; L237-L244 HydrophobicContact CD2-CD2 3.8Å; L237-L244 HydrophobicContact CD2-CG 3.72Å; R241-L244 WeakPolarHBondContact O-CB 3.18Å; R241-L244 PolarHBondContact O-N 3.43Å; R241-L244 VanDerWaalsContact O-N 3.09Å; L242-L244 PolarHBondContact O-N 2.64Å; L244-A248 HydrophobicContact CD2-CB 3.8Å; L244-I264 HydrophobicContact CD1-CG2 4.27Å; L244-I264 HydrophobicContact CD2-CG2 4.16Å; L244-V266 HydrophobicContact CD1-CG1 3.6Å; L244-L280 HydrophobicContact CD1-CD2 4.32Å; L244-T283 WeakPolarHBondContact CB-OG1 3.32Å; L244-T283 HydrophobicContact CD1-CG2 4.36Å; L244-T283 HydrophobicContact CD2-CG2 4.1Å; L244-L292 HydrophobicContact CD1-CD2 4.28Å |
| 245 | P | 98.1 | Very high | 98.3 | Very high | 28 Ų | 28 | 31.3 Ų | 31.3 | 18% | 0.182 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -88 | 4.2 | 2.3 | 35.1 | -36.5 | 0 | 0 | 0 | 113.9 | W247 A248 K249 E282 T283 L286 | P245-W247 PolarHBondContact O-N 3.11Å; P245-A248 PolarHBondContact O-N 3.23Å; P245-K249 WeakPolarHBondContact O-CG 3.49Å; P245-K249 PolarHBondContact O-N 3.02Å; P245-E282 HydrophobicContact CG-CB 4.49Å; P245-T283 WeakPolarHBondContact CA-OG1 3.37Å; P245-T283 WeakPolarHBondContact CB-OG1 3.35Å; P245-L286 HydrophobicContact CB-CD1 4.03Å |
| 246 | H | 98.7 | Very high | 98.3 | Very high | 112 Ų | 112 | 36 Ų | 36 | 52% | 0.519 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.1 | -48.8 | -172 | 175.7 | 61.6 | 0 | 0 | 0 | 112.5 | L243 A248 K249 V250 | L243-H246 PolarHBondContact O-N 3.21Å; H246-A248 VanDerWaalsContact C-N 3.33Å; H246-A248 PolarHBondContact O-N 2.94Å; H246-K249 WeakPolarHBondContact O-CB 3.44Å; H246-K249 PolarHBondContact O-N 3.27Å; H246-K249 VanDerWaalsContact O-N 3.11Å; H246-V250 PolarHBondContact O-N 3.14Å |
| 247 | W | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 36 Ų | 36 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.1 | -45.7 | 178.4 | -115.5 | 71.7 | 0 | 0 | 0 | 112.6 | P192 P209 Q212 M236 L237 L243 P245 K249 V250 V251 | P192-W247 HydrophobicContact CB-CH2 3.86Å; P192-W247 HydrophobicContact CB-CZ2 4.12Å; P192-W247 HydrophobicContact CG-CH2 3.38Å; P192-W247 HydrophobicContact CG-CZ2 3.82Å; P192-W247 HydrophobicContact CG-CZ3 4.1Å; P209-W247 HydrophobicContact CB-CD2 3.82Å; P209-W247 HydrophobicContact CB-CG 3.79Å; P209-W247 HydrophobicContact CB-CZ2 4.29Å; P209-W247 HydrophobicContact CG-CG 4.42Å; Q212-W247 HydrophobicContact CB-CH2 3.6Å; Q212-W247 HydrophobicContact CB-CZ2 4.35Å; Q212-W247 HydrophobicContact CB-CZ3 4.06Å; Q212-W247 HydrophobicContact CG-CH2 4Å; Q212-W247 HydrophobicContact CG-CZ3 4.15Å; M236-W247 HydrophobicContact CE-CE3 3.74Å; M236-W247 HydrophobicContact CE-CZ3 4.4Å; L237-W247 VanDerWaalsContact CA-CZ3 3.43Å; L237-W247 HydrophobicContact CB-CE3 3.87Å; L237-W247 HydrophobicContact CB-CZ3 4.18Å; L237-W247 HydrophobicContact CD1-CB 4.07Å; L237-W247 HydrophobicContact CD1-CD2 3.59Å; L237-W247 HydrophobicContact CD1-CE3 3.47Å; L237-W247 VanDerWaalsContact CD1-CE3 3.47Å; L237-W247 HydrophobicContact CD1-CG 3.83Å; L237-W247 HydrophobicContact CD1-CZ3 4.03Å; L237-W247 HydrophobicContact CG-CE3 4.28Å; L243-W247 HydrophobicContact CB-CB 4.49Å; L243-W247 HydrophobicContact CB-CG 4.41Å; L243-W247 PolarHBondContact O-N 2.89Å; P245-W247 PolarHBondContact O-N 3.11Å; W247-K249 VanDerWaalsContact C-N 3.34Å; W247-K249 PolarHBondContact O-N 3.14Å; W247-V250 PolarHBondContact O-N 3.27Å; W247-V251 PolarHBondContact O-N 3.21Å; W247-V251 VanDerWaalsContact O-N 3.15Å |
| 248 | A | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.6 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L244 P245 H246 L252 I264 T283 F287 | L244-A248 HydrophobicContact CD2-CB 3.8Å; P245-A248 PolarHBondContact O-N 3.23Å; H246-A248 VanDerWaalsContact C-N 3.33Å; H246-A248 PolarHBondContact O-N 2.94Å; A248-L252 HydrophobicContact CB-CD1 4.24Å; A248-L252 WeakPolarHBondContact O-CB 3.45Å; A248-L252 WeakPolarHBondContact O-CG 3.27Å; A248-L252 PolarHBondContact O-N 3.28Å; A248-I264 HydrophobicContact CB-CD1 3.82Å; A248-T283 HydrophobicContact CB-CG2 3.77Å; A248-F287 HydrophobicContact CB-CD2 3.98Å; A248-F287 HydrophobicContact CB-CE2 3.9Å |
| 249 | K | 98.8 | Very high | 98.3 | Very high | 94 Ų | 94 | 42.9 Ų | 42.9 | 41% | 0.409 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60 | -48.4 | 176 | -71.6 | 175.2 | -179.9 | -177.6 | 0 | 111.9 | P245 H246 W247 V251 T253 L286 F287 | P245-K249 WeakPolarHBondContact O-CG 3.49Å; P245-K249 PolarHBondContact O-N 3.02Å; H246-K249 WeakPolarHBondContact O-CB 3.44Å; H246-K249 PolarHBondContact O-N 3.27Å; H246-K249 VanDerWaalsContact O-N 3.11Å; W247-K249 VanDerWaalsContact C-N 3.34Å; W247-K249 PolarHBondContact O-N 3.14Å; K249-V251 VanDerWaalsContact C-N 3.35Å; K249-V251 PolarHBondContact O-N 3.11Å; K249-T253 VanDerWaalsContact O-CB 3.27Å; K249-T253 WeakPolarHBondContact O-CB 3.38Å; K249-T253 WeakPolarHBondContact O-CG2 3.25Å; K249-T253 PolarHBondContact O-N 3.48Å; K249-T253 PolarHBondContact O-OG1 2.7Å; K249-L286 HydrophobicContact CD-CD1 4.35Å; K249-L286 HydrophobicContact CG-CD1 4.18Å; K249-F287 HydrophobicContact CG-CE2 4.18Å; K249-F287 HydrophobicContact CG-CZ 4.34Å |
| 250 | V | 98.9 | Very high | 98.3 | Very high | 21 Ų | 21 | 46 Ų | 46 | 13% | 0.127 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | -176.7 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | P209 E210 R213 H246 W247 | P209-V250 HydrophobicContact CB-CB 3.79Å; P209-V250 HydrophobicContact CB-CG1 3.75Å; P209-V250 HydrophobicContact CB-CG2 4.16Å; P209-V250 HydrophobicContact CG-CB 4.38Å; P209-V250 HydrophobicContact CG-CG1 4.31Å; P209-V250 HydrophobicContact CG-CG2 4.22Å; E210-V250 HydrophobicContact CB-CG1 4.46Å; E210-V250 HydrophobicContact CG-CG1 3.91Å; R213-V250 VanDerWaalsContact CD-O 3.31Å; R213-V250 WeakPolarHBondContact CD-O 3.32Å; H246-V250 PolarHBondContact O-N 3.14Å; W247-V250 PolarHBondContact O-N 3.27Å |
| 251 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -80.9 | -47.2 | -177.4 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | R213 I216 M236 W247 K249 D254 A257 V261 | R213-V251 HydrophobicContact CB-CB 4.41Å; R213-V251 HydrophobicContact CB-CG1 4.49Å; R213-V251 HydrophobicContact CB-CG2 4.04Å; I216-V251 HydrophobicContact CD1-CG1 4.36Å; M236-V251 HydrophobicContact CE-CB 3.49Å; M236-V251 VanDerWaalsContact CE-CB 3.49Å; M236-V251 HydrophobicContact CE-CG1 3.99Å; M236-V251 HydrophobicContact CE-CG2 3.42Å; M236-V251 VanDerWaalsContact CE-CG2 3.42Å; M236-V251 HydrophobicContact SD-CB 3.73Å; M236-V251 HydrophobicContact SD-CG1 3.71Å; M236-V251 HydrophobicContact SD-CG2 4.28Å; W247-V251 PolarHBondContact O-N 3.21Å; W247-V251 VanDerWaalsContact O-N 3.15Å; K249-V251 VanDerWaalsContact C-N 3.35Å; K249-V251 PolarHBondContact O-N 3.11Å; V251-D254 PolarHBondContact O-N 2.88Å; V251-A257 HydrophobicContact CG1-CB 4.08Å; V251-V261 HydrophobicContact CG1-CG2 4.2Å |
| 252 | L | 98.8 | Very high | 98.5 | Very high | 16 Ų | 16 | 48.7 Ų | 48.7 | 8% | 0.084 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -85.7 | -13.5 | -168.5 | -59.3 | 177.2 | 0 | 0 | 0 | 114.3 | M236 A248 D254 A258 V261 I264 F287 T290 | M236-L252 HydrophobicContact SD-CD1 4.28Å; M236-L252 HydrophobicContact SD-CD2 3.87Å; M236-L252 HydrophobicContact SD-CG 3.86Å; A248-L252 HydrophobicContact CB-CD1 4.24Å; A248-L252 WeakPolarHBondContact O-CB 3.45Å; A248-L252 WeakPolarHBondContact O-CG 3.27Å; A248-L252 PolarHBondContact O-N 3.28Å; L252-D254 VanDerWaalsContact C-N 3.27Å; L252-A258 HydrophobicContact CD2-CB 4.37Å; L252-V261 HydrophobicContact CD2-CB 3.91Å; L252-V261 HydrophobicContact CD2-CG1 3.87Å; L252-V261 HydrophobicContact CD2-CG2 4.33Å; L252-I264 HydrophobicContact CD1-CD1 3.93Å; L252-I264 HydrophobicContact CD1-CG1 4.38Å; L252-F287 HydrophobicContact CB-CD1 3.75Å; L252-F287 HydrophobicContact CB-CE1 3.56Å; L252-F287 HydrophobicContact CB-CE2 4.43Å; L252-F287 HydrophobicContact CB-CG 4.28Å; L252-F287 HydrophobicContact CB-CZ 3.94Å; L252-F287 HydrophobicContact CD1-CB 3.94Å; L252-F287 HydrophobicContact CD1-CD1 3.91Å; L252-F287 HydrophobicContact CD1-CD2 3.88Å; L252-F287 HydrophobicContact CD1-CE1 4.42Å; L252-F287 HydrophobicContact CD1-CE2 4.38Å; L252-F287 HydrophobicContact CD1-CG 3.62Å; L252-T290 HydrophobicContact CD1-CG2 3.94Å; L252-T290 HydrophobicContact CD2-CG2 4.5Å |
| 253 | T | 98.8 | Very high | 98.6 | Very high | 99 Ų | 99 | 45.3 Ų | 45.3 | 61% | 0.607 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -15.7 | 170.6 | 58.2 | 0 | 0 | 0 | 0 | 112.5 | K249 P255 F287 | K249-T253 VanDerWaalsContact O-CB 3.27Å; K249-T253 WeakPolarHBondContact O-CB 3.38Å; K249-T253 WeakPolarHBondContact O-CG2 3.25Å; K249-T253 PolarHBondContact O-N 3.48Å; K249-T253 PolarHBondContact O-OG1 2.7Å; T253-P255 WeakPolarHBondContact O-CD 3.36Å; T253-F287 HydrophobicContact CG2-CE1 4.46Å; T253-F287 HydrophobicContact CG2-CZ 4.17Å |
| 254 | D | 98.8 | Very high | 98.7 | Very high | 40 Ų | 40 | 43.3 Ų | 43.3 | 21% | 0.214 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -88.5 | 111.5 | 170.4 | -175.1 | -22 | 0 | 0 | 0 | 109.8 | R213 V251 L252 E256 A257 A258 | R213-D254 WeakPolarHBondContact CD-OD2 3.48Å; R213-D254 HydrophobicContact CG-CB 3.95Å; R213-D254 IonicContact NE-OD2 3.79Å; V251-D254 PolarHBondContact O-N 2.88Å; L252-D254 VanDerWaalsContact C-N 3.27Å; D254-E256 PolarHBondContact O-N 3.16Å; D254-E256 WeakPolarHBondContact OD1-CB 3.26Å; D254-E256 PolarHBondContact OD1-N 3.42Å; D254-A257 HydrophobicContact CB-CB 4.42Å; D254-A257 PolarHBondContact O-N 3.34Å; D254-A258 VanDerWaalsContact O-CB 3.31Å; D254-A258 WeakPolarHBondContact O-CB 3.32Å; D254-A258 PolarHBondContact O-N 3.36Å |
| 255 | P | 98.6 | Very high | 98.7 | Very high | 91 Ų | 91 | 42.9 Ų | 42.9 | 59% | 0.591 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -63.8 | -24.3 | -177.2 | 27.2 | -34.9 | 0 | 0 | 0 | 113.3 | T253 K259 | T253-P255 WeakPolarHBondContact O-CD 3.36Å; P255-K259 PolarHBondContact O-N 3.45Å |
| 256 | E | 98.6 | Very high | 98.7 | Very high | 100 Ų | 100 | 41.8 Ų | 41.8 | 47% | 0.467 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -75.1 | -28.5 | -180 | -67.1 | -60.9 | 104 | 0 | 0 | 112.3 | A217 D254 K259 Y260 | A217-E256 HydrophobicContact CB-CB 4.12Å; D254-E256 PolarHBondContact O-N 3.16Å; D254-E256 WeakPolarHBondContact OD1-CB 3.26Å; D254-E256 PolarHBondContact OD1-N 3.42Å; E256-K259 WeakPolarHBondContact O-CE 3.48Å; E256-K259 IonicContact OE1-NZ 2.71Å; E256-K259 PolarHBondContact OE1-NZ 3.17Å; E256-K259 IonicContact OE2-NZ 2.8Å; E256-K259 PolarHBondContact OE2-NZ 2.77Å; E256-Y260 VanDerWaalsContact O-CD2 3.3Å; E256-Y260 WeakPolarHBondContact O-CD2 3.35Å; E256-Y260 WeakPolarHBondContact O-CE2 3.33Å |
| 257 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -83.7 | -47.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | R213 I216 A217 V251 D254 K259 Y260 V261 | R213-A257 HydrophobicContact CG-CB 3.79Å; I216-A257 HydrophobicContact CG2-CB 4.33Å; A217-A257 HydrophobicContact CB-CB 4.07Å; V251-A257 HydrophobicContact CG1-CB 4.08Å; D254-A257 HydrophobicContact CB-CB 4.42Å; D254-A257 PolarHBondContact O-N 3.34Å; A257-K259 VanDerWaalsContact C-N 3.26Å; A257-K259 PolarHBondContact O-N 3Å; A257-K259 VanDerWaalsContact O-N 3.15Å; A257-Y260 PolarHBondContact O-N 3.31Å; A257-V261 PolarHBondContact O-N 2.83Å |
| 258 | A | 98.7 | Very high | 98.1 | Very high | 30 Ų | 30 | 37.8 Ų | 37.8 | 25% | 0.248 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.2 | -35.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L252 D254 Y260 V261 | L252-A258 HydrophobicContact CD2-CB 4.37Å; D254-A258 VanDerWaalsContact O-CB 3.31Å; D254-A258 WeakPolarHBondContact O-CB 3.32Å; D254-A258 PolarHBondContact O-N 3.36Å; A258-Y260 PolarHBondContact O-N 2.96Å; A258-Y260 VanDerWaalsContact O-N 3.16Å; A258-V261 PolarHBondContact O-N 3.41Å; A258-V261 VanDerWaalsContact O-N 3.16Å |
| 259 | K | 98.5 | Very high | 97.4 | Very high | 114 Ų | 114 | 39.4 Ų | 39.4 | 50% | 0.496 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -20.9 | 178.3 | 69.9 | -172.3 | 175.2 | -163.9 | 0 | 114.4 | P255 E256 A257 | P255-K259 PolarHBondContact O-N 3.45Å; E256-K259 WeakPolarHBondContact O-CE 3.48Å; E256-K259 IonicContact OE1-NZ 2.71Å; E256-K259 PolarHBondContact OE1-NZ 3.17Å; E256-K259 IonicContact OE2-NZ 2.8Å; E256-K259 PolarHBondContact OE2-NZ 2.77Å; A257-K259 VanDerWaalsContact C-N 3.26Å; A257-K259 PolarHBondContact O-N 3Å; A257-K259 VanDerWaalsContact O-N 3.15Å |
| 260 | Y | 98.8 | Very high | 96.5 | Very high | 65 Ų | 65 | 37.8 Ų | 37.8 | 26% | 0.255 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -18.3 | 177.9 | -61.7 | -62.1 | 0 | 0 | 0 | 113.2 | G221 P222 A225 E256 A257 A258 | G221-Y260 VanDerWaalsContact CA-CG 3.46Å; P222-Y260 HydrophobicContact CG-CE2 3.97Å; A225-Y260 HydrophobicContact CB-CE1 3.94Å; E256-Y260 VanDerWaalsContact O-CD2 3.3Å; E256-Y260 WeakPolarHBondContact O-CD2 3.35Å; E256-Y260 WeakPolarHBondContact O-CE2 3.33Å; A257-Y260 PolarHBondContact O-N 3.31Å; A258-Y260 PolarHBondContact O-N 2.96Å; A258-Y260 VanDerWaalsContact O-N 3.16Å |
| 261 | V | 98.8 | Very high | 95.8 | Very high | 14 Ų | 14 | 38.7 Ų | 38.7 | 9% | 0.085 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 120.2 | -176.9 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | I216 M236 V251 L252 A257 A258 G263 T290 | I216-V261 HydrophobicContact CD1-CG2 4.1Å; I216-V261 HydrophobicContact CG2-CG2 4.02Å; M236-V261 HydrophobicContact CB-CG1 4Å; M236-V261 HydrophobicContact CB-CG2 4.38Å; M236-V261 HydrophobicContact CG-CG1 3.67Å; M236-V261 HydrophobicContact SD-CG1 4.03Å; V251-V261 HydrophobicContact CG1-CG2 4.2Å; L252-V261 HydrophobicContact CD2-CB 3.91Å; L252-V261 HydrophobicContact CD2-CG1 3.87Å; L252-V261 HydrophobicContact CD2-CG2 4.33Å; A257-V261 PolarHBondContact O-N 2.83Å; A258-V261 PolarHBondContact O-N 3.41Å; A258-V261 VanDerWaalsContact O-N 3.16Å; V261-G263 VanDerWaalsContact CG1-O 3.28Å; V261-G263 WeakPolarHBondContact CG1-O 3.31Å; V261-T290 HydrophobicContact CG1-CG2 4.43Å |
| 262 | H | 98.6 | Very high | 95 | Very high | 68 Ų | 68 | 44.8 Ų | 44.8 | 32% | 0.315 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -34.5 | 176.4 | -179.2 | 58.2 | 0 | 0 | 0 | 112.7 | R233 L234 | R233-H262 HydrophobicContact CB-CB 3.83Å; R233-H262 HydrophobicContact CG-CB 4.37Å; L234-H262 PolarHBondContact O-N 3.43Å |
| 263 | G | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 177 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L235 M236 V261 M291 | L235-G263 WeakPolarHBondContact CA-O 3.31Å; M236-G263 PolarHBondContact N-O 2.99Å; V261-G263 VanDerWaalsContact CG1-O 3.28Å; V261-G263 WeakPolarHBondContact CG1-O 3.31Å; G263-M291 CarbonylContact C-O 3.49Å; G263-M291 WeakPolarHBondContact CA-O 3.15Å |
| 264 | I | 98.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 119.5 | 178.4 | -59.2 | 160.9 | 0 | 0 | 0 | 107.4 | M236 L237 L244 A248 L252 V266 T283 T290 M291 L292 F293 | M236-I264 HydrophobicContact CG-CB 4.29Å; M236-I264 HydrophobicContact CG-CG1 3.73Å; M236-I264 HydrophobicContact SD-CG1 3.99Å; L237-I264 HydrophobicContact CB-CG2 3.89Å; L237-I264 HydrophobicContact CD2-CG2 3.83Å; L244-I264 HydrophobicContact CD1-CG2 4.27Å; L244-I264 HydrophobicContact CD2-CG2 4.16Å; A248-I264 HydrophobicContact CB-CD1 3.82Å; L252-I264 HydrophobicContact CD1-CD1 3.93Å; L252-I264 HydrophobicContact CD1-CG1 4.38Å; I264-V266 HydrophobicContact CG2-CG1 4.24Å; I264-T283 HydrophobicContact CD1-CG2 3.49Å; I264-T283 VanDerWaalsContact CD1-CG2 3.49Å; I264-T290 HydrophobicContact CD1-CG2 4.14Å; I264-T290 HydrophobicContact CG1-CG2 3.92Å; I264-M291 PolarHBondContact N-O 2.79Å; I264-L292 HydrophobicContact CB-CD2 3.99Å; I264-L292 HydrophobicContact CD1-CD2 4.14Å; I264-L292 HydrophobicContact CG2-CD2 4.2Å; I264-L292 WeakPolarHBondContact O-CA 3.35Å; I264-F293 PolarHBondContact O-N 3.27Å |
| 265 | A | 98.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 137.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T187 L235 M236 L237 D238 F293 | T187-A265 HydrophobicContact CG2-CB 4.26Å; L235-A265 HydrophobicContact CB-CB 4Å; L235-A265 HydrophobicContact CD1-CB 4.2Å; M236-A265 PolarHBondContact O-N 2.86Å; L237-A265 WeakPolarHBondContact CB-O 3.29Å; L237-A265 WeakPolarHBondContact CG-O 3.4Å; D238-A265 WeakPolarHBondContact CA-O 3.22Å; D238-A265 HydrophobicContact CB-CB 3.85Å; D238-A265 PolarHBondContact N-O 3.45Å; D238-A265 WeakPolarHBondContact OD1-CB 3.42Å; A265-F293 CarbonylContact C-O 3.6Å; A265-F293 VanDerWaalsContact CA-O 3.22Å; A265-F293 WeakPolarHBondContact CA-O 3.44Å |
| 266 | V | 98.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.024 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142 | -176 | -64.7 | 0 | 0 | 0 | 0 | 113.3 | L237 D239 R241 L244 I264 L280 F293 A294 S295 | L237-V266 HydrophobicContact CD2-CG1 4.05Å; D239-V266 CarbonylContact O-C 3.57Å; D239-V266 WeakPolarHBondContact O-CA 3.47Å; R241-V266 HydrophobicContact CB-CB 4.35Å; R241-V266 HydrophobicContact CB-CG1 4.39Å; L244-V266 HydrophobicContact CD1-CG1 3.6Å; I264-V266 HydrophobicContact CG2-CG1 4.24Å; V266-L280 HydrophobicContact CG1-CD2 4.16Å; V266-L280 HydrophobicContact CG2-CD2 4.13Å; V266-F293 PolarHBondContact N-O 3.34Å; V266-A294 HydrophobicContact CG2-CB 4.14Å; V266-A294 VanDerWaalsContact O-CA 3.31Å; V266-A294 WeakPolarHBondContact O-CA 3.44Å; V266-S295 PolarHBondContact O-N 3.48Å; V266-S295 VanDerWaalsContact O-N 3.17Å |
| 267 | H | 95.7 | Very high | 92.1 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 161.3 | 175.2 | -59.7 | -171.6 | 0 | 0 | 0 | 111 | E191 D238 D239 R241 Y269 S295 E296 | E191-H267 IonicContact OE1-CE1 3.52Å; E191-H267 IonicContact OE1-ND1 3.68Å; E191-H267 PolarHBondContact OE1-ND1 2.77Å; D238-H267 PolarHBondContact O-CE1 3.08Å; D238-H267 VanDerWaalsContact O-CE1 3.27Å; D238-H267 PolarHBondContact O-NE2 3.33Å; D238-H267 IonicContact OD1-CD2 2.66Å; D238-H267 IonicContact OD1-NE2 3.78Å; D238-H267 PolarHBondContact OD1-NE2 3.41Å; D238-H267 VanDerWaalsContact OD1-NE2 3.1Å; D239-H267 PolarHBondContact O-N 2.54Å; R241-H267 PolarHBondContact N-O 3.29Å; H267-Y269 HydrophobicContact CB-CD2 4.29Å; H267-Y269 HydrophobicContact CB-CE2 4.38Å; H267-S295 PolarHBondContact CD2-OG 3.4Å; H267-S295 VanDerWaalsContact CD2-OG 3.24Å; H267-S295 PolarHBondContact NE2-OG 3.5Å; H267-E296 WeakPolarHBondContact CA-O 3.17Å; H267-E296 IonicContact CE1-OE2 2.82Å; H267-E296 PolarHBondContact CE1-OE2 3.1Å; H267-E296 IonicContact ND1-OE2 3.44Å; H267-E296 PolarHBondContact ND1-OE2 3.39Å; H267-E296 IonicContact NE2-OE2 3.06Å |
| 268 | W | 90.3 | Very high | 91.9 | Very high | 34 Ų | 34 | 46 Ų | 46 | 13% | 0.129 | 24% | 0.238 | C | C | . | . | trans | -111.5 | -3.9 | -167.7 | 89.9 | -37.7 | 0 | 0 | 0 | 117.2 | L270 D271 A297 C298 V299 Q318 Y319 | W268-L270 PolarHBondContact O-N 3.23Å; W268-L270 VanDerWaalsContact O-N 3.13Å; W268-D271 VanDerWaalsContact CA-OD1 3.31Å; W268-D271 WeakPolarHBondContact CA-OD1 3.33Å; W268-D271 WeakPolarHBondContact O-CB 3.19Å; W268-D271 PolarHBondContact O-N 3.33Å; W268-D271 VanDerWaalsContact O-N 3.08Å; W268-A297 HydrophobicContact CB-CB 4.3Å; W268-A297 VanDerWaalsContact CD1-CA 3.43Å; W268-A297 VanDerWaalsContact CD1-CB 3.46Å; W268-A297 HydrophobicContact CD2-CB 3.82Å; W268-A297 HydrophobicContact CG-CB 3.6Å; W268-C298 VanDerWaalsContact CE2-O 3.25Å; W268-C298 WeakPolarHBondContact CZ2-O 3.28Å; W268-C298 PolarHBondContact NE1-O 3.24Å; W268-V299 HydrophobicContact CH2-CG1 3.58Å; W268-V299 HydrophobicContact CZ2-CG1 3.44Å; W268-V299 VanDerWaalsContact CZ2-CG1 3.44Å; W268-Q318 HydrophobicContact CH2-CB 4.07Å; W268-Q318 HydrophobicContact CZ3-CB 4.38Å; W268-Y319 HydrophobicContact CH2-CD2 4.24Å; W268-Y319 HydrophobicContact CH2-CE2 4.41Å; W268-Y319 HydrophobicContact CZ2-CE2 4.42Å | ||
| 269 | Y | 82.8 | Confident | 91.8 | Very high | 34 Ų | 34 | 44.8 Ų | 44.8 | 13% | 0.133 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67 | -24.2 | -163.7 | -58.1 | -67.5 | 0 | 0 | 0 | 114.2 | H267 F272 E296 C298 | H267-Y269 HydrophobicContact CB-CD2 4.29Å; H267-Y269 HydrophobicContact CB-CE2 4.38Å; Y269-F272 WeakPolarHBondContact O-CE1 3.22Å; Y269-E296 HydrophobicContact CE2-CG 3.94Å; Y269-E296 WeakPolarHBondContact CE2-OE1 3.24Å; Y269-E296 VanDerWaalsContact OH-CD 3.31Å; Y269-E296 WeakPolarHBondContact OH-CG 3.43Å; Y269-E296 PolarHBondContact OH-OE1 3.38Å; Y269-C298 HydrophobicContact CE1-CB 4.17Å; Y269-C298 VanDerWaalsContact CE1-N 3.29Å; Y269-C298 WeakPolarHBondContact CE1-O 3.35Å; Y269-C298 WeakPolarHBondContact CE1-SG 3.19Å; Y269-C298 PolarHBondContact OH-N 2.99Å; Y269-C298 PolarHBondContact OH-SG 3.13Å |
| 270 | L | 80.9 | Confident | 91.8 | Very high | 61 Ų | 61 | 39.4 Ų | 39.4 | 32% | 0.319 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | 19.1 | 179 | -61.5 | -172.4 | 0 | 0 | 0 | 113.3 | Q240 L242 W268 F272 L273 | Q240-L270 HydrophobicContact CB-CB 4.4Å; Q240-L270 HydrophobicContact CB-CD1 4.34Å; Q240-L270 HydrophobicContact CG-CB 4.4Å; Q240-L270 HydrophobicContact CG-CD1 3.89Å; Q240-L270 HydrophobicContact CG-CG 4.01Å; L242-L270 HydrophobicContact CD1-CD1 4.11Å; L242-L270 HydrophobicContact CD2-CB 4.29Å; L242-L270 HydrophobicContact CD2-CD1 3.9Å; W268-L270 PolarHBondContact O-N 3.23Å; W268-L270 VanDerWaalsContact O-N 3.13Å; L270-F272 HydrophobicContact CD2-CE1 4.07Å; L270-F272 HydrophobicContact CD2-CZ 4.16Å; L270-F272 PolarHBondContact O-N 3.1Å; L270-F272 VanDerWaalsContact O-N 3.08Å; L270-L273 HydrophobicContact CB-CD1 4.11Å; L270-L273 HydrophobicContact CD1-CD1 4.29Å; L270-L273 HydrophobicContact CD2-CD1 4.24Å; L270-L273 HydrophobicContact CG-CD1 4.45Å; L270-L273 WeakPolarHBondContact O-CB 3.45Å; L270-L273 PolarHBondContact O-N 2.99Å |
| 271 | D | 84.2 | Confident | 91.6 | Very high | 39 Ų | 39 | 40.7 Ų | 40.7 | 21% | 0.209 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -58.3 | -26.5 | -176.3 | -92.1 | 26.4 | 0 | 0 | 0 | 114.6 | R241 W268 L273 | R241-D271 WeakPolarHBondContact CD-OD1 3.41Å; R241-D271 WeakPolarHBondContact CG-OD1 3.45Å; R241-D271 IonicContact CZ-OD1 3.66Å; R241-D271 IonicContact CZ-OD2 2.65Å; R241-D271 IonicContact NE-OD1 2.82Å; R241-D271 PolarHBondContact NE-OD1 2.97Å; R241-D271 IonicContact NE-OD2 2.94Å; R241-D271 PolarHBondContact NE-OD2 3.47Å; R241-D271 PolarHBondContact NH2-O 3.34Å; R241-D271 IonicContact NH2-OD1 3.84Å; R241-D271 IonicContact NH2-OD2 3.87Å; R241-D271 PolarHBondContact NH2-OD2 2.85Å; W268-D271 VanDerWaalsContact CA-OD1 3.31Å; W268-D271 WeakPolarHBondContact CA-OD1 3.33Å; W268-D271 WeakPolarHBondContact O-CB 3.19Å; W268-D271 PolarHBondContact O-N 3.33Å; W268-D271 VanDerWaalsContact O-N 3.08Å; D271-L273 PolarHBondContact O-N 2.91Å |
| 272 | F | 80.3 | Confident | 91.5 | Very high | 128 Ų | 128 | 42.7 Ų | 42.7 | 56% | 0.561 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -69.4 | -15 | 176.7 | 65.1 | -89 | 0 | 0 | 0 | 113.5 | Y269 L270 | Y269-F272 WeakPolarHBondContact O-CE1 3.22Å; L270-F272 HydrophobicContact CD2-CE1 4.07Å; L270-F272 HydrophobicContact CD2-CZ 4.16Å; L270-F272 PolarHBondContact O-N 3.1Å; L270-F272 VanDerWaalsContact O-N 3.08Å |
| 273 | L | 77.8 | Confident | 91.5 | Very high | 104 Ų | 104 | 39.5 Ų | 39.5 | 55% | 0.545 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -86.5 | -20.9 | -179.7 | -64.1 | -179.2 | 0 | 0 | 0 | 113.7 | L242 L270 D271 | L242-L273 HydrophobicContact CD1-CD1 4.22Å; L270-L273 HydrophobicContact CB-CD1 4.11Å; L270-L273 HydrophobicContact CD1-CD1 4.29Å; L270-L273 HydrophobicContact CD2-CD1 4.24Å; L270-L273 HydrophobicContact CG-CD1 4.45Å; L270-L273 WeakPolarHBondContact O-CB 3.45Å; L270-L273 PolarHBondContact O-N 2.99Å; D271-L273 PolarHBondContact O-N 2.91Å |
| 274 | A | 81.7 | Confident | 91.5 | Very high | 22 Ų | 22 | 41.9 Ų | 41.9 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -149.6 | 140 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | R241 T279 | R241-A274 PolarHBondContact NH1-O 3.37Å; R241-A274 PolarHBondContact NH2-O 3.1Å; A274-T279 HydrophobicContact CB-CG2 4.02Å |
| 275 | P | 89.9 | Confident | 91.4 | Very high | 89 Ų | 89 | 48.5 Ų | 48.5 | 58% | 0.578 | 24% | 0.244 | S | C | * | . | trans | -71.1 | 146.7 | 173.8 | 29 | -33.5 | 0 | 0 | 0 | 111.8 | R241 K277 A278 T279 | R241-P275 PolarHBondContact NH1-O 3.15Å; P275-K277 PolarHBondContact O-N 2.56Å; P275-K277 VanDerWaalsContact O-N 3.14Å; P275-A278 HydrophobicContact CG-CB 4.06Å; P275-A278 PolarHBondContact O-N 3.31Å; P275-T279 PolarHBondContact O-OG1 3.17Å | ||
| 276 | A | 92.6 | Very high | 91.4 | Very high | 6 Ų | 6 | 52.3 Ų | 52.3 | 5% | 0.05 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.9 | -31.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | A278 T279 L280 R281 T325 Y329 | A276-A278 VanDerWaalsContact C-N 3.32Å; A276-A278 PolarHBondContact O-N 2.75Å; A276-T279 WeakPolarHBondContact CA-OG1 3.2Å; A276-T279 PolarHBondContact O-N 2.87Å; A276-T279 PolarHBondContact O-OG1 3.24Å; A276-L280 HydrophobicContact CB-CD1 4.14Å; A276-L280 PolarHBondContact O-N 3.33Å; A276-R281 PolarHBondContact O-N 3.24Å; A276-T325 HydrophobicContact CB-CG2 3.73Å; A276-Y329 HydrophobicContact CB-CD2 3.41Å; A276-Y329 VanDerWaalsContact CB-CD2 3.41Å; A276-Y329 HydrophobicContact CB-CE2 3.65Å; A276-Y329 HydrophobicContact CB-CG 4.13Å |
| 277 | K | 91.8 | Very high | 91.4 | Very high | 102 Ų | 102 | 53.7 Ų | 53.7 | 44% | 0.443 | 27% | 0.269 | S | S | . | . | I | π-helix | trans | -58.4 | -37.9 | 174.8 | -170.5 | 179.2 | 174.7 | 178.1 | 0 | 113.5 | P275 T279 R281 Y329 | P275-K277 PolarHBondContact O-N 2.56Å; P275-K277 VanDerWaalsContact O-N 3.14Å; K277-T279 VanDerWaalsContact C-N 3.32Å; K277-R281 VanDerWaalsContact CG-CZ 3.43Å; K277-R281 WeakPolarHBondContact O-CB 3.38Å; K277-Y329 HydrophobicContact CB-CE1 4.11Å; K277-Y329 HydrophobicContact CG-CE1 4.44Å |
| 278 | A | 94.5 | Very high | 91.5 | Very high | 50 Ų | 50 | 56 Ų | 56 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | I | π-helix | trans | -82.9 | -12 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | P275 A276 | P275-A278 HydrophobicContact CG-CB 4.06Å; P275-A278 PolarHBondContact O-N 3.31Å; A276-A278 VanDerWaalsContact C-N 3.32Å; A276-A278 PolarHBondContact O-N 2.75Å |
| 279 | T | 97.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 3% | 0.025 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -116.3 | -76.6 | -171.8 | 47.8 | 0 | 0 | 0 | 0 | 110.2 | R241 A274 P275 A276 K277 T283 | R241-T279 PolarHBondContact NH1-OG1 3.47Å; R241-T279 WeakPolarHBondContact O-CB 3.26Å; R241-T279 WeakPolarHBondContact O-CG2 3.49Å; A274-T279 HydrophobicContact CB-CG2 4.02Å; P275-T279 PolarHBondContact O-OG1 3.17Å; A276-T279 WeakPolarHBondContact CA-OG1 3.2Å; A276-T279 PolarHBondContact O-N 2.87Å; A276-T279 PolarHBondContact O-OG1 3.24Å; K277-T279 VanDerWaalsContact C-N 3.32Å; T279-T283 WeakPolarHBondContact O-CB 3.07Å; T279-T283 PolarHBondContact O-N 3.21Å; T279-T283 PolarHBondContact O-OG1 3.17Å |
| 280 | L | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | I | π-helix | trans | -61.3 | -50 | -178.6 | -59.6 | 179 | 0 | 0 | 0 | 112.3 | R241 L244 V266 A276 T283 H284 L292 V331 | R241-L280 HydrophobicContact CB-CD2 4.29Å; L244-L280 HydrophobicContact CD1-CD2 4.32Å; V266-L280 HydrophobicContact CG1-CD2 4.16Å; V266-L280 HydrophobicContact CG2-CD2 4.13Å; A276-L280 HydrophobicContact CB-CD1 4.14Å; A276-L280 PolarHBondContact O-N 3.33Å; L280-T283 PolarHBondContact O-N 3.3Å; L280-H284 PolarHBondContact O-N 2.83Å; L280-L292 HydrophobicContact CB-CD1 4.27Å; L280-L292 HydrophobicContact CD2-CD1 4.41Å; L280-L292 HydrophobicContact CD2-CD2 4.48Å; L280-L292 WeakPolarHBondContact O-CD1 3.36Å; L280-V331 HydrophobicContact CD1-CG2 3.83Å; L280-V331 HydrophobicContact CD2-CG2 4.25Å |
| 281 | R | 95.8 | Very high | 93.1 | Very high | 92 Ų | 92 | 57.4 Ų | 57.4 | 35% | 0.347 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -64.7 | -46.5 | -176.7 | -167.1 | -174.5 | 66.7 | 152.1 | 6.9 | 112.4 | A276 K277 T283 H284 H285 Y329 | A276-R281 PolarHBondContact O-N 3.24Å; K277-R281 VanDerWaalsContact CG-CZ 3.43Å; K277-R281 WeakPolarHBondContact O-CB 3.38Å; R281-T283 VanDerWaalsContact C-N 3.27Å; R281-T283 PolarHBondContact O-N 2.81Å; R281-H284 PolarHBondContact O-N 2.84Å; R281-H285 WeakPolarHBondContact O-CB 3.44Å; R281-H285 PolarHBondContact O-N 2.82Å; R281-Y329 HydrophobicContact CB-CD1 3.75Å; R281-Y329 HydrophobicContact CB-CE1 4.15Å; R281-Y329 HydrophobicContact CG-CD1 4.24Å |
| 282 | E | 97.3 | Very high | 93.8 | Very high | 57 Ų | 57 | 55.6 Ų | 55.6 | 27% | 0.266 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.2 | -32.5 | 179.2 | -60.5 | -43.6 | 148.9 | 0 | 0 | 111.9 | P245 H285 L286 | P245-E282 HydrophobicContact CG-CB 4.49Å; E282-H285 PolarHBondContact O-N 3.02Å; E282-H285 IonicContact OE2-ND1 3.57Å; E282-L286 VanDerWaalsContact O-CG 3.26Å; E282-L286 WeakPolarHBondContact O-CG 2.92Å; E282-L286 PolarHBondContact O-N 3.07Å |
| 283 | T | 98.5 | Very high | 94.6 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 172.8 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | L244 P245 A248 I264 T279 L280 R281 H285 L286 F287 L292 | L244-T283 WeakPolarHBondContact CB-OG1 3.32Å; L244-T283 HydrophobicContact CD1-CG2 4.36Å; L244-T283 HydrophobicContact CD2-CG2 4.1Å; P245-T283 WeakPolarHBondContact CA-OG1 3.37Å; P245-T283 WeakPolarHBondContact CB-OG1 3.35Å; A248-T283 HydrophobicContact CB-CG2 3.77Å; I264-T283 HydrophobicContact CD1-CG2 3.49Å; I264-T283 VanDerWaalsContact CD1-CG2 3.49Å; T279-T283 WeakPolarHBondContact O-CB 3.07Å; T279-T283 PolarHBondContact O-N 3.21Å; T279-T283 PolarHBondContact O-OG1 3.17Å; L280-T283 PolarHBondContact O-N 3.3Å; R281-T283 VanDerWaalsContact C-N 3.27Å; R281-T283 PolarHBondContact O-N 2.81Å; T283-H285 VanDerWaalsContact C-N 3.32Å; T283-H285 PolarHBondContact O-N 3.32Å; T283-L286 PolarHBondContact O-N 2.83Å; T283-F287 PolarHBondContact O-N 3.06Å; T283-L292 HydrophobicContact CG2-CD2 3.99Å |
| 284 | H | 97.6 | Very high | 95.5 | Very high | 49 Ų | 49 | 44.8 Ų | 44.8 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 175.6 | -177.3 | 68.2 | 0 | 0 | 0 | 112.1 | L280 R281 L286 F287 P288 L292 H330 | L280-H284 PolarHBondContact O-N 2.83Å; R281-H284 PolarHBondContact O-N 2.84Å; H284-L286 PolarHBondContact O-N 2.86Å; H284-F287 CarbonylContact O-C 3.37Å; H284-F287 PolarHBondContact O-N 2.9Å; H284-P288 PolarHBondContact CE1-O 2.95Å; H284-P288 WeakPolarHBondContact O-CA 3.45Å; H284-P288 WeakPolarHBondContact O-CB 2.92Å; H284-P288 WeakPolarHBondContact O-CD 3.41Å; H284-L292 HydrophobicContact CB-CD1 4.08Å; H284-H330 HydrophobicContact CB-CB 4.12Å; H284-H330 AromaticContact CD2-CD2 3.34Å; H284-H330 PolarHBondContact CD2-CD2 3.47Å; H284-H330 AromaticContact CD2-CE1 3.5Å; H284-H330 AromaticContact CD2-CG 3.28Å; H284-H330 AromaticContact CD2-ND1 3.39Å; H284-H330 PolarHBondContact CD2-ND1 3.26Å; H284-H330 AromaticContact CD2-NE2 3.5Å; H284-H330 AromaticContact CG-CD2 3.6Å; H284-H330 AromaticContact CG-CG 3.5Å; H284-H330 VanDerWaalsContact CG-CG 3.5Å; H284-H330 AromaticContact ND1-CG 3.97Å; H284-H330 AromaticContact NE2-CE1 3.75Å; H284-H330 AromaticContact NE2-CG 3.65Å; H284-H330 AromaticContact NE2-ND1 3.38Å; H284-H330 PolarHBondContact NE2-ND1 3.25Å |
| 285 | H | 97.9 | Very high | 96.1 | Very high | 139 Ų | 139 | 43.8 Ų | 43.8 | 64% | 0.644 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -62.8 | -41.7 | 176.9 | -177.3 | -167.5 | 0 | 0 | 0 | 112 | R281 E282 T283 | R281-H285 WeakPolarHBondContact O-CB 3.44Å; R281-H285 PolarHBondContact O-N 2.82Å; E282-H285 PolarHBondContact O-N 3.02Å; E282-H285 IonicContact OE2-ND1 3.57Å; T283-H285 VanDerWaalsContact C-N 3.32Å; T283-H285 PolarHBondContact O-N 3.32Å |
| 286 | L | 98.2 | Very high | 96.2 | Very high | 80 Ų | 80 | 39.9 Ų | 39.9 | 42% | 0.419 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -73.1 | -36.6 | 178.3 | -67.7 | 167.1 | 0 | 0 | 0 | 112.7 | P245 K249 E282 T283 H284 | P245-L286 HydrophobicContact CB-CD1 4.03Å; K249-L286 HydrophobicContact CD-CD1 4.35Å; K249-L286 HydrophobicContact CG-CD1 4.18Å; E282-L286 VanDerWaalsContact O-CG 3.26Å; E282-L286 WeakPolarHBondContact O-CG 2.92Å; E282-L286 PolarHBondContact O-N 3.07Å; T283-L286 PolarHBondContact O-N 2.83Å; H284-L286 PolarHBondContact O-N 2.86Å |
| 287 | F | 98.2 | Very high | 96.1 | Very high | 33 Ų | 33 | 39.6 Ų | 39.6 | 15% | 0.145 | 20% | 0.201 | C | C | . | . | trans | -132.4 | 62.8 | -173.2 | -54 | -72.2 | 0 | 0 | 0 | 111.7 | A248 K249 L252 T253 T283 H284 N289 T290 | A248-F287 HydrophobicContact CB-CD2 3.98Å; A248-F287 HydrophobicContact CB-CE2 3.9Å; K249-F287 HydrophobicContact CG-CE2 4.18Å; K249-F287 HydrophobicContact CG-CZ 4.34Å; L252-F287 HydrophobicContact CB-CD1 3.75Å; L252-F287 HydrophobicContact CB-CE1 3.56Å; L252-F287 HydrophobicContact CB-CE2 4.43Å; L252-F287 HydrophobicContact CB-CG 4.28Å; L252-F287 HydrophobicContact CB-CZ 3.94Å; L252-F287 HydrophobicContact CD1-CB 3.94Å; L252-F287 HydrophobicContact CD1-CD1 3.91Å; L252-F287 HydrophobicContact CD1-CD2 3.88Å; L252-F287 HydrophobicContact CD1-CE1 4.42Å; L252-F287 HydrophobicContact CD1-CE2 4.38Å; L252-F287 HydrophobicContact CD1-CG 3.62Å; T253-F287 HydrophobicContact CG2-CE1 4.46Å; T253-F287 HydrophobicContact CG2-CZ 4.17Å; T283-F287 PolarHBondContact O-N 3.06Å; H284-F287 CarbonylContact O-C 3.37Å; H284-F287 PolarHBondContact O-N 2.9Å; F287-N289 PolarHBondContact O-N 3.06Å; F287-N289 VanDerWaalsContact O-N 3.09Å; F287-T290 PolarHBondContact O-N 3.42Å | ||
| 288 | P | 96.5 | Very high | 96 | Very high | 53 Ų | 53 | 35 Ų | 35 | 34% | 0.344 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -21.5 | -168.6 | 25.2 | -35.6 | 0 | 0 | 0 | 114.2 | H284 | H284-P288 PolarHBondContact CE1-O 2.95Å; H284-P288 WeakPolarHBondContact O-CA 3.45Å; H284-P288 WeakPolarHBondContact O-CB 2.92Å; H284-P288 WeakPolarHBondContact O-CD 3.41Å |
| 289 | N | 94.6 | Very high | 95.7 | Very high | 114 Ų | 114 | 32.8 Ų | 32.8 | 61% | 0.61 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -6.1 | 179.4 | -62.4 | -38.7 | 0 | 0 | 0 | 113.4 | F287 | F287-N289 PolarHBondContact O-N 3.06Å; F287-N289 VanDerWaalsContact O-N 3.09Å |
| 290 | T | 97.8 | Very high | 95 | Very high | 23 Ų | 23 | 32.7 Ų | 32.7 | 14% | 0.141 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -98.1 | 114.7 | 174.2 | -53.9 | 0 | 0 | 0 | 0 | 108.2 | L252 V261 I264 F287 | L252-T290 HydrophobicContact CD1-CG2 3.94Å; L252-T290 HydrophobicContact CD2-CG2 4.5Å; V261-T290 HydrophobicContact CG1-CG2 4.43Å; I264-T290 HydrophobicContact CD1-CG2 4.14Å; I264-T290 HydrophobicContact CG1-CG2 3.92Å; F287-T290 PolarHBondContact O-N 3.42Å |
| 291 | M | 96.4 | Very high | 94 | Very high | 21 Ų | 21 | 34.7 Ų | 34.7 | 10% | 0.103 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 146.1 | -173.1 | 64.7 | 88.4 | 145.7 | 0 | 0 | 111.8 | W184 L235 G263 I264 F293 V332 | W184-M291 HydrophobicContact CH2-CE 3.83Å; W184-M291 HydrophobicContact CZ2-CE 3.49Å; W184-M291 VanDerWaalsContact CZ2-CE 3.49Å; L235-M291 HydrophobicContact CD2-CE 3.76Å; L235-M291 HydrophobicContact CD2-SD 4.37Å; G263-M291 CarbonylContact C-O 3.49Å; G263-M291 WeakPolarHBondContact CA-O 3.15Å; I264-M291 PolarHBondContact N-O 2.79Å; M291-F293 HydrophobicContact CE-CB 4.4Å; M291-F293 HydrophobicContact SD-CB 3.77Å; M291-V332 HydrophobicContact CB-CG1 4.18Å; M291-V332 HydrophobicContact CB-CG2 4.14Å; M291-V332 HydrophobicContact CE-CG2 4.38Å; M291-V332 HydrophobicContact CG-CG2 4.37Å; M291-V332 HydrophobicContact SD-CG2 3.73Å |
| 292 | L | 98 | Very high | 93.1 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 132.5 | 171.7 | -68.7 | 164.7 | 0 | 0 | 0 | 108.6 | L244 I264 L280 T283 H284 V331 V332 | L244-L292 HydrophobicContact CD1-CD2 4.28Å; I264-L292 HydrophobicContact CB-CD2 3.99Å; I264-L292 HydrophobicContact CD1-CD2 4.14Å; I264-L292 HydrophobicContact CG2-CD2 4.2Å; I264-L292 WeakPolarHBondContact O-CA 3.35Å; L280-L292 HydrophobicContact CB-CD1 4.27Å; L280-L292 HydrophobicContact CD2-CD1 4.41Å; L280-L292 HydrophobicContact CD2-CD2 4.48Å; L280-L292 WeakPolarHBondContact O-CD1 3.36Å; T283-L292 HydrophobicContact CG2-CD2 3.99Å; H284-L292 HydrophobicContact CB-CD1 4.08Å; L292-V331 HydrophobicContact CB-CG2 3.96Å; L292-V331 CarbonylContact O-C 3.47Å; L292-V331 VanDerWaalsContact O-CA 3.31Å; L292-V331 WeakPolarHBondContact O-CA 3.21Å; L292-V332 WeakPolarHBondContact O-CG2 3.49Å; L292-V332 PolarHBondContact O-N 2.98Å |
| 293 | F | 97.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 125.2 | -178.7 | -177.4 | -95.5 | 0 | 0 | 0 | 110 | I74 L131 W184 L235 I264 A265 V266 M291 S295 V332 T335 | I74-F293 HydrophobicContact CD1-CE2 3.6Å; I74-F293 HydrophobicContact CD1-CZ 3.63Å; I74-F293 HydrophobicContact CG2-CZ 4.43Å; L131-F293 HydrophobicContact CD2-CD1 4.21Å; L131-F293 HydrophobicContact CD2-CE1 3.58Å; L131-F293 HydrophobicContact CD2-CZ 4.4Å; W184-F293 AromaticContact CH2-CD2 3.95Å; W184-F293 HydrophobicContact CH2-CD2 3.95Å; W184-F293 AromaticContact CH2-CE2 3.85Å; W184-F293 HydrophobicContact CH2-CE2 3.85Å; W184-F293 HydrophobicContact CH2-CG 4.35Å; W184-F293 HydrophobicContact CH2-CZ 4.18Å; W184-F293 HydrophobicContact CZ3-CE1 4.37Å; W184-F293 HydrophobicContact CZ3-CE2 4.13Å; W184-F293 HydrophobicContact CZ3-CZ 4.02Å; L235-F293 HydrophobicContact CD1-CB 4.48Å; L235-F293 HydrophobicContact CD1-CD1 4.18Å; I264-F293 PolarHBondContact O-N 3.27Å; A265-F293 CarbonylContact C-O 3.6Å; A265-F293 VanDerWaalsContact CA-O 3.22Å; A265-F293 WeakPolarHBondContact CA-O 3.44Å; V266-F293 PolarHBondContact N-O 3.34Å; M291-F293 HydrophobicContact CE-CB 4.4Å; M291-F293 HydrophobicContact SD-CB 3.77Å; F293-S295 PolarHBondContact O-N 3.22Å; F293-V332 HydrophobicContact CD2-CG2 4.24Å; F293-T335 WeakPolarHBondContact CE1-OG1 3.33Å; F293-T335 VanDerWaalsContact CZ-OG1 3.25Å; F293-T335 WeakPolarHBondContact CZ-OG1 3.22Å |
| 294 | A | 96.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 107 | 173.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | V266 V331 G333 W334 T335 | V266-A294 HydrophobicContact CG2-CB 4.14Å; V266-A294 VanDerWaalsContact O-CA 3.31Å; V266-A294 WeakPolarHBondContact O-CA 3.44Å; A294-V331 HydrophobicContact CB-CG1 4.05Å; A294-G333 PolarHBondContact N-O 2.94Å; A294-W334 HydrophobicContact CB-CB 4.23Å; A294-W334 HydrophobicContact CB-CG 4.02Å; A294-W334 CarbonylContact O-C 3.46Å; A294-W334 VanDerWaalsContact O-CA 3.27Å; A294-W334 WeakPolarHBondContact O-CA 3.19Å; A294-T335 WeakPolarHBondContact O-CB 3.42Å; A294-T335 PolarHBondContact O-N 3.08Å; A294-T335 PolarHBondContact O-OG1 2.89Å |
| 295 | S | 94.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -18.1 | -172.7 | 45.6 | 0 | 0 | 0 | 0 | 113.8 | D238 V266 H267 F293 T335 | D238-S295 WeakPolarHBondContact OD1-CB 3.44Å; D238-S295 PolarHBondContact OD1-OG 3.47Å; V266-S295 PolarHBondContact O-N 3.48Å; V266-S295 VanDerWaalsContact O-N 3.17Å; H267-S295 PolarHBondContact CD2-OG 3.4Å; H267-S295 VanDerWaalsContact CD2-OG 3.24Å; H267-S295 PolarHBondContact NE2-OG 3.5Å; F293-S295 PolarHBondContact O-N 3.22Å; S295-T335 VanDerWaalsContact O-CB 3.23Å; S295-T335 WeakPolarHBondContact O-CB 3.26Å; S295-T335 WeakPolarHBondContact O-CG2 3.48Å |
| 296 | E | 92.3 | Very high | 89.5 | Confident | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 137.9 | 179.7 | 174.2 | 179.8 | 165.8 | 0 | 0 | 112.2 | H267 Y269 T335 W337 | H267-E296 WeakPolarHBondContact CA-O 3.17Å; H267-E296 IonicContact CE1-OE2 2.82Å; H267-E296 PolarHBondContact CE1-OE2 3.1Å; H267-E296 IonicContact ND1-OE2 3.44Å; H267-E296 PolarHBondContact ND1-OE2 3.39Å; H267-E296 IonicContact NE2-OE2 3.06Å; Y269-E296 HydrophobicContact CE2-CG 3.94Å; Y269-E296 WeakPolarHBondContact CE2-OE1 3.24Å; Y269-E296 VanDerWaalsContact OH-CD 3.31Å; Y269-E296 WeakPolarHBondContact OH-CG 3.43Å; Y269-E296 PolarHBondContact OH-OE1 3.38Å; E296-T335 CarbonylContact C-O 3.45Å; E296-T335 WeakPolarHBondContact CA-O 3.41Å; E296-W337 HydrophobicContact CB-CE3 3.92Å; E296-W337 HydrophobicContact CB-CZ3 3.93Å; E296-W337 VanDerWaalsContact CD-CD2 3.49Å; E296-W337 HydrophobicContact CG-CB 4.31Å; E296-W337 HydrophobicContact CG-CD2 3.7Å; E296-W337 HydrophobicContact CG-CE3 3.26Å; E296-W337 HydrophobicContact CG-CG 4.19Å; E296-W337 HydrophobicContact CG-CH2 4.21Å; E296-W337 HydrophobicContact CG-CZ3 3.53Å; E296-W337 WeakPolarHBondContact OE1-CZ2 3.37Å; E296-W337 WeakPolarHBondContact OE2-CH2 3.39Å; E296-W337 WeakPolarHBondContact OE2-CZ3 3.46Å |
| 297 | A | 90.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -156.2 | 137.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112 | W268 W334 T335 D336 W337 | W268-A297 HydrophobicContact CB-CB 4.3Å; W268-A297 VanDerWaalsContact CD1-CA 3.43Å; W268-A297 VanDerWaalsContact CD1-CB 3.46Å; W268-A297 HydrophobicContact CD2-CB 3.82Å; W268-A297 HydrophobicContact CG-CB 3.6Å; A297-W334 HydrophobicContact CB-CH2 3.44Å; A297-W334 VanDerWaalsContact CB-CH2 3.44Å; A297-W334 HydrophobicContact CB-CZ2 3.13Å; A297-W334 HydrophobicContact CB-CZ3 4.38Å; A297-T335 PolarHBondContact N-O 3.32Å; A297-T335 VanDerWaalsContact N-O 3.08Å; A297-D336 VanDerWaalsContact O-OD1 3.08Å; A297-W337 PolarHBondContact O-N 3.36Å | ||
| 298 | C | 88 | Confident | 88.9 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.027 | 21% | 0.212 | C | C | . | . | trans | -147.6 | 162.6 | 165.2 | 76 | 0 | 0 | 0 | 0 | 113.7 | W268 Y269 W337 V354 | W268-C298 VanDerWaalsContact CE2-O 3.25Å; W268-C298 WeakPolarHBondContact CZ2-O 3.28Å; W268-C298 PolarHBondContact NE1-O 3.24Å; Y269-C298 HydrophobicContact CE1-CB 4.17Å; Y269-C298 VanDerWaalsContact CE1-N 3.29Å; Y269-C298 WeakPolarHBondContact CE1-O 3.35Å; Y269-C298 WeakPolarHBondContact CE1-SG 3.19Å; Y269-C298 PolarHBondContact OH-N 2.99Å; Y269-C298 PolarHBondContact OH-SG 3.13Å; C298-W337 HydrophobicContact CB-CB 3.73Å; C298-W337 HydrophobicContact CB-CG 4.45Å; C298-V354 HydrophobicContact CB-CG2 4.28Å | ||
| 299 | V | 89.5 | Confident | 88.8 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -109 | 162.2 | 174 | -70.7 | 0 | 0 | 0 | 0 | 110.9 | W268 S301 R315 Q318 Y319 D355 M372 | W268-V299 HydrophobicContact CH2-CG1 3.58Å; W268-V299 HydrophobicContact CZ2-CG1 3.44Å; W268-V299 VanDerWaalsContact CZ2-CG1 3.44Å; V299-S301 VanDerWaalsContact C-N 3.32Å; V299-R315 HydrophobicContact CB-CG 4.24Å; V299-R315 HydrophobicContact CG1-CG 4.44Å; V299-R315 HydrophobicContact CG2-CB 4.11Å; V299-R315 VanDerWaalsContact CG2-CD 3.44Å; V299-R315 HydrophobicContact CG2-CG 3.75Å; V299-Q318 HydrophobicContact CG1-CB 4.49Å; V299-Y319 HydrophobicContact CB-CE2 4.47Å; V299-Y319 HydrophobicContact CG1-CD2 4.32Å; V299-Y319 HydrophobicContact CG1-CE2 3.89Å; V299-Y319 HydrophobicContact CG2-CE2 3.95Å; V299-D355 HydrophobicContact CG2-CB 3.74Å; V299-D355 PolarHBondContact O-N 3.09Å; V299-M372 HydrophobicContact CG2-CE 4.38Å; V299-M372 HydrophobicContact CG2-SD 3.45Å; V299-M372 WeakPolarHBondContact CG2-SD 3.13Å |
| 300 | G | 81.4 | Confident | 88.9 | Confident | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 82.3 | 9.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | E305 | G300-E305 WeakPolarHBondContact CA-OE2 3.5Å; G300-E305 PolarHBondContact N-OE2 3.33Å; G300-E305 VanDerWaalsContact N-OE2 3.16Å |
| 301 | S | 76.1 | Confident | 88.9 | Confident | 43 Ų | 43 | 46.9 Ų | 46.9 | 30% | 0.301 | 23% | 0.231 | S | C | . | . | trans | -81 | -13 | 176.5 | 57 | 0 | 0 | 0 | 0 | 114.3 | V299 | V299-S301 VanDerWaalsContact C-N 3.32Š| ||
| 302 | K | 77.8 | Confident | 89 | Confident | 61 Ų | 61 | 46.5 Ų | 46.5 | 27% | 0.265 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -82.9 | 138.5 | -179.8 | -54.6 | -173.2 | -161.7 | 145.3 | 0 | 110 | W304 E305 | K302-W304 HydrophobicContact CB-CD2 3.99Å; K302-W304 HydrophobicContact CB-CE3 4.15Å; K302-W304 HydrophobicContact CB-CH2 4.14Å; K302-W304 HydrophobicContact CB-CZ2 3.96Å; K302-W304 HydrophobicContact CB-CZ3 4.22Å; K302-W304 HydrophobicContact CD-CH2 3.74Å; K302-W304 HydrophobicContact CD-CZ2 3.23Å; K302-W304 HydrophobicContact CG-CH2 4.35Å; K302-W304 HydrophobicContact CG-CZ2 4.15Å; K302-W304 PolarHBondContact O-N 3Å; K302-E305 HydrophobicContact CB-CB 4.49Å; K302-E305 HydrophobicContact CB-CG 4.08Å; K302-E305 WeakPolarHBondContact CD-OE1 3.14Å; K302-E305 IonicContact NZ-OE1 3.41Å; K302-E305 PolarHBondContact NZ-OE1 2.95Å; K302-E305 PolarHBondContact O-N 2.89Å |
| 303 | F | 76.4 | Confident | 89 | Confident | 192 Ų | 192 | 51 Ų | 51 | 84% | 0.842 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -18.7 | -174 | 72.2 | -101.2 | 0 | 0 | 0 | 115.4 | ||
| 304 | W | 76.5 | Confident | 88.9 | Confident | 157 Ų | 157 | 55 Ų | 55 | 60% | 0.595 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -3.1 | 178 | 62.6 | 82.8 | 0 | 0 | 0 | 113.7 | K302 | K302-W304 HydrophobicContact CB-CD2 3.99Å; K302-W304 HydrophobicContact CB-CE3 4.15Å; K302-W304 HydrophobicContact CB-CH2 4.14Å; K302-W304 HydrophobicContact CB-CZ2 3.96Å; K302-W304 HydrophobicContact CB-CZ3 4.22Å; K302-W304 HydrophobicContact CD-CH2 3.74Å; K302-W304 HydrophobicContact CD-CZ2 3.23Å; K302-W304 HydrophobicContact CG-CH2 4.35Å; K302-W304 HydrophobicContact CG-CZ2 4.15Å; K302-W304 PolarHBondContact O-N 3Å |
| 305 | E | 78.3 | Confident | 88.9 | Confident | 50 Ų | 50 | 55 Ų | 55 | 23% | 0.234 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -95.2 | 140.1 | 176.9 | -67.9 | -179.7 | -169.6 | 0 | 0 | 109.7 | G300 K302 S307 R315 | G300-E305 WeakPolarHBondContact CA-OE2 3.5Å; G300-E305 PolarHBondContact N-OE2 3.33Å; G300-E305 VanDerWaalsContact N-OE2 3.16Å; K302-E305 HydrophobicContact CB-CB 4.49Å; K302-E305 HydrophobicContact CB-CG 4.08Å; K302-E305 WeakPolarHBondContact CD-OE1 3.14Å; K302-E305 IonicContact NZ-OE1 3.41Å; K302-E305 PolarHBondContact NZ-OE1 2.95Å; K302-E305 PolarHBondContact O-N 2.89Å; E305-S307 PolarHBondContact O-N 2.98Å; E305-R315 IonicContact OE2-NH2 2.77Å |
| 306 | Q | 83.3 | Confident | 89 | Confident | 136 Ų | 136 | 55 Ų | 55 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | trans | -64.9 | 130.1 | 165.4 | -179.7 | -177.6 | 4.2 | 0 | 0 | 108.9 | V308 R309 R315 | Q306-V308 WeakPolarHBondContact CG-O 3.46Å; Q306-V308 PolarHBondContact NE2-O 3.42Å; Q306-R309 HydrophobicContact CB-CG 4.1Å; Q306-R309 HydrophobicContact CG-CG 4.29Å; Q306-R315 PolarHBondContact O-NH1 2.93Å; Q306-R315 PolarHBondContact O-NH2 3.19Å | ||
| 307 | S | 89.6 | Confident | 89.3 | Confident | 27 Ų | 27 | 55.2 Ų | 55.2 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -55.9 | -59.9 | -177.2 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | E305 R315 F353 V354 D355 | E305-S307 PolarHBondContact O-N 2.98Å; S307-R315 PolarHBondContact O-NH1 3.31Å; S307-R315 PolarHBondContact O-NH2 3.31Å; S307-F353 WeakPolarHBondContact CB-O 3.31Å; S307-F353 VanDerWaalsContact OG-CB 3.27Å; S307-F353 WeakPolarHBondContact OG-CB 3.36Å; S307-F353 PolarHBondContact OG-O 2.88Å; S307-V354 CarbonylContact O-C 3.46Å; S307-D355 WeakPolarHBondContact O-CA 3.04Å; S307-D355 WeakPolarHBondContact O-CB 3.37Å; S307-D355 PolarHBondContact O-N 3.43Å; S307-D355 VanDerWaalsContact O-N 3.11Å |
| 308 | V | 94.1 | Very high | 89.6 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | trans | -104.6 | 129.4 | 176.5 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | Q306 L310 P343 G345 I359 | Q306-V308 WeakPolarHBondContact CG-O 3.46Å; Q306-V308 PolarHBondContact NE2-O 3.42Å; V308-L310 HydrophobicContact CG1-CD2 4.22Å; V308-L310 HydrophobicContact CG1-CG 4.31Å; V308-P343 WeakPolarHBondContact CB-O 3.28Å; V308-G345 VanDerWaalsContact CG2-CA 3.41Å; V308-I359 HydrophobicContact CB-CD1 4.46Å; V308-I359 HydrophobicContact CG1-CD1 3.75Å; V308-I359 HydrophobicContact CG1-CG1 3.8Å; V308-I359 HydrophobicContact CG1-CG2 4.42Å; V308-I359 HydrophobicContact CG2-CD1 3.79Å | ||
| 309 | R | 96.1 | Very high | 90 | Very high | 116 Ų | 116 | 58.6 Ų | 58.6 | 44% | 0.438 | 28% | 0.284 | S | S | . | . | trans | -126 | 95.3 | 171.9 | -68.5 | -176.9 | 69.1 | -162.3 | -2.3 | 109.7 | Q306 G311 S312 R315 D355 Q370 | Q306-R309 HydrophobicContact CB-CG 4.1Å; Q306-R309 HydrophobicContact CG-CG 4.29Å; R309-G311 PolarHBondContact O-N 2.71Å; R309-S312 WeakPolarHBondContact O-CB 3.39Å; R309-S312 PolarHBondContact O-N 2.92Å; R309-R315 VanDerWaalsContact N-NH1 3.2Å; R309-D355 PolarHBondContact N-OD2 2.57Å; R309-D355 VanDerWaalsContact N-OD2 3.15Å; R309-Q370 PolarHBondContact O-NE2 2.94Å | ||
| 310 | L | 96.5 | Very high | 90.4 | Very high | 98 Ų | 98 | 58.4 Ų | 58.4 | 51% | 0.513 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 124.9 | -179.9 | -68.4 | 177.2 | 0 | 0 | 0 | 111.2 | V308 I359 Y368 | V308-L310 HydrophobicContact CG1-CD2 4.22Å; V308-L310 HydrophobicContact CG1-CG 4.31Å; L310-I359 HydrophobicContact CD2-CB 3.9Å; L310-I359 HydrophobicContact CD2-CG1 3.89Å; L310-I359 HydrophobicContact CD2-CG2 4.05Å; L310-Y368 HydrophobicContact CD1-CD2 4.43Å; L310-Y368 HydrophobicContact CD2-CD2 4.03Å; L310-Y368 HydrophobicContact CD2-CG 4.26Å |
| 311 | G | 96.9 | Very high | 91.2 | Very high | 52 Ų | 52 | 61 Ų | 61 | 54% | 0.536 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 12 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R309 W313 | R309-G311 PolarHBondContact O-N 2.71Å; G311-W313 PolarHBondContact O-N 2.94Å |
| 312 | S | 98 | Very high | 92.1 | Very high | 13 Ų | 13 | 59.3 Ų | 59.3 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | trans | -69.2 | 99.7 | -176.1 | -178.8 | 0 | 0 | 0 | 0 | 113.5 | R309 D314 R315 G316 | R309-S312 WeakPolarHBondContact O-CB 3.39Å; R309-S312 PolarHBondContact O-N 2.92Å; S312-D314 VanDerWaalsContact C-N 3.32Å; S312-D314 PolarHBondContact O-N 2.88Å; S312-R315 PolarHBondContact O-N 3.28Å; S312-G316 PolarHBondContact O-N 2.87Å | ||
| 313 | W | 97.9 | Very high | 93 | Very high | 96 Ų | 96 | 56.5 Ų | 56.5 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.8 | -39.3 | 176.4 | -167.3 | -104.4 | 0 | 0 | 0 | 112.8 | G311 R315 G316 M317 P371 H375 Y443 | G311-W313 PolarHBondContact O-N 2.94Å; W313-R315 PolarHBondContact O-N 3.26Å; W313-G316 WeakPolarHBondContact O-CA 3.43Å; W313-G316 PolarHBondContact O-N 2.93Å; W313-M317 PolarHBondContact O-N 3.08Å; W313-P371 HydrophobicContact CE3-CB 4.03Å; W313-P371 HydrophobicContact CE3-CG 4.36Å; W313-H375 AromaticContact CE2-NE2 3.69Å; W313-H375 AromaticContact CH2-NE2 3.62Å; W313-H375 AromaticContact CZ2-NE2 3.49Å; W313-H375 WeakPolarHBondContact CZ2-NE2 3.4Å; W313-H375 AromaticContact CZ3-NE2 3.93Å; W313-Y443 VanDerWaalsContact CE2-O 3.22Å; W313-Y443 WeakPolarHBondContact CZ2-O 3.43Å; W313-Y443 PolarHBondContact NE1-O 3.44Å; W313-Y443 VanDerWaalsContact NE1-O 3.14Å |
| 314 | D | 96.8 | Very high | 94 | Very high | 85 Ų | 85 | 47.4 Ų | 47.4 | 46% | 0.455 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.7 | -32.6 | 177.2 | -66.6 | -23.6 | 0 | 0 | 0 | 113.2 | S312 M317 Q318 | S312-D314 VanDerWaalsContact C-N 3.32Å; S312-D314 PolarHBondContact O-N 2.88Å; D314-M317 HydrophobicContact CB-CE 4.46Å; D314-M317 WeakPolarHBondContact OD1-CE 3.15Å; D314-Q318 VanDerWaalsContact O-CG 3.3Å; D314-Q318 WeakPolarHBondContact O-CG 3.45Å; D314-Q318 PolarHBondContact O-N 2.82Å; D314-Q318 PolarHBondContact O-NE2 3.38Å |
| 315 | R | 96.4 | Very high | 95 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73.9 | -39.2 | 176.9 | -77.6 | -177.4 | 162.8 | 173.1 | -2.1 | 110.9 | V299 E305 Q306 S307 R309 S312 W313 Q318 Y319 D355 M372 | V299-R315 HydrophobicContact CB-CG 4.24Å; V299-R315 HydrophobicContact CG1-CG 4.44Å; V299-R315 HydrophobicContact CG2-CB 4.11Å; V299-R315 VanDerWaalsContact CG2-CD 3.44Å; V299-R315 HydrophobicContact CG2-CG 3.75Å; E305-R315 IonicContact OE2-NH2 2.77Å; Q306-R315 PolarHBondContact O-NH1 2.93Å; Q306-R315 PolarHBondContact O-NH2 3.19Å; S307-R315 PolarHBondContact O-NH1 3.31Å; S307-R315 PolarHBondContact O-NH2 3.31Å; R309-R315 VanDerWaalsContact N-NH1 3.2Å; S312-R315 PolarHBondContact O-N 3.28Å; W313-R315 PolarHBondContact O-N 3.26Å; R315-Q318 PolarHBondContact O-N 2.9Å; R315-Y319 WeakPolarHBondContact O-CD2 3.46Å; R315-Y319 PolarHBondContact O-N 3.21Å; R315-D355 VanDerWaalsContact CD-OD2 3.29Å; R315-D355 WeakPolarHBondContact CD-OD2 3.35Å; R315-D355 IonicContact CZ-OD2 3.44Å; R315-D355 IonicContact NE-OD2 3.23Å; R315-D355 VanDerWaalsContact NH1-CG 3.33Å; R315-D355 IonicContact NH1-OD2 3.77Å; R315-D355 PolarHBondContact NH1-OD2 3.41Å; R315-M372 HydrophobicContact CB-CG 3.86Å; R315-M372 HydrophobicContact CB-SD 3.84Å |
| 316 | G | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.5 | -49.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S312 W313 Q318 Y319 S320 H375 | S312-G316 PolarHBondContact O-N 2.87Å; W313-G316 WeakPolarHBondContact O-CA 3.43Å; W313-G316 PolarHBondContact O-N 2.93Å; G316-Q318 VanDerWaalsContact C-N 3.33Å; G316-Q318 PolarHBondContact O-N 3.08Å; G316-Y319 WeakPolarHBondContact O-CB 3.43Å; G316-Y319 PolarHBondContact O-N 3.42Å; G316-S320 PolarHBondContact O-N 3.36Å; G316-S320 VanDerWaalsContact O-N 3.13Å; G316-S320 PolarHBondContact O-OG 2.78Å; G316-H375 VanDerWaalsContact C-ND1 3.29Å; G316-H375 VanDerWaalsContact CA-CD2 3.48Å; G316-H375 WeakPolarHBondContact CA-CD2 3.47Å; G316-H375 WeakPolarHBondContact O-CB 3.15Å; G316-H375 PolarHBondContact O-ND1 2.81Å; G316-H375 VanDerWaalsContact O-ND1 3.08Å |
| 317 | M | 98.2 | Very high | 96.4 | Very high | 12 Ų | 12 | 33.4 Ų | 33.4 | 6% | 0.059 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.4 | -39.1 | 178.3 | -67.3 | -167 | -65.8 | 0 | 0 | 112.8 | W313 D314 S320 H321 L417 R419 Y443 | W313-M317 PolarHBondContact O-N 3.08Å; D314-M317 HydrophobicContact CB-CE 4.46Å; D314-M317 WeakPolarHBondContact OD1-CE 3.15Å; M317-S320 PolarHBondContact O-OG 2.62Å; M317-H321 WeakPolarHBondContact O-CB 3.32Å; M317-H321 PolarHBondContact O-N 3.13Å; M317-L417 HydrophobicContact CG-CD1 4.31Å; M317-R419 HydrophobicContact CB-CG 4.17Å; M317-R419 HydrophobicContact CG-CG 4.34Å; M317-R419 HydrophobicContact SD-CB 3.92Å; M317-R419 HydrophobicContact SD-CG 3.86Å; M317-Y443 HydrophobicContact CE-CD1 4.03Å; M317-Y443 HydrophobicContact CE-CE1 4.34Å; M317-Y443 HydrophobicContact SD-CD1 3.94Å |
| 318 | Q | 96.3 | Very high | 96.7 | Very high | 74 Ų | 74 | 35.4 Ų | 35.4 | 35% | 0.346 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.6 | -44.6 | 175.2 | -78 | 173.2 | 76.3 | 0 | 0 | 112.2 | W268 V299 D314 R315 G316 S322 | W268-Q318 HydrophobicContact CH2-CB 4.07Å; W268-Q318 HydrophobicContact CZ3-CB 4.38Å; V299-Q318 HydrophobicContact CG1-CB 4.49Å; D314-Q318 VanDerWaalsContact O-CG 3.3Å; D314-Q318 WeakPolarHBondContact O-CG 3.45Å; D314-Q318 PolarHBondContact O-N 2.82Å; D314-Q318 PolarHBondContact O-NE2 3.38Å; R315-Q318 PolarHBondContact O-N 2.9Å; G316-Q318 VanDerWaalsContact C-N 3.33Å; G316-Q318 PolarHBondContact O-N 3.08Å; Q318-S322 VanDerWaalsContact O-CB 3.31Å; Q318-S322 WeakPolarHBondContact O-CB 3.22Å; Q318-S322 PolarHBondContact O-N 2.97Å |
| 319 | Y | 96.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.8 | -57.6 | 176.5 | -88.5 | -121.5 | 0 | 0 | 0 | 111 | W268 V299 R315 G316 H321 S322 I323 W334 D336 P357 M372 L376 | W268-Y319 HydrophobicContact CH2-CD2 4.24Å; W268-Y319 HydrophobicContact CH2-CE2 4.41Å; W268-Y319 HydrophobicContact CZ2-CE2 4.42Å; V299-Y319 HydrophobicContact CB-CE2 4.47Å; V299-Y319 HydrophobicContact CG1-CD2 4.32Å; V299-Y319 HydrophobicContact CG1-CE2 3.89Å; V299-Y319 HydrophobicContact CG2-CE2 3.95Å; R315-Y319 WeakPolarHBondContact O-CD2 3.46Å; R315-Y319 PolarHBondContact O-N 3.21Å; G316-Y319 WeakPolarHBondContact O-CB 3.43Å; G316-Y319 PolarHBondContact O-N 3.42Å; Y319-H321 VanDerWaalsContact C-N 3.31Å; Y319-H321 PolarHBondContact O-N 2.97Å; Y319-S322 WeakPolarHBondContact O-CB 3.49Å; Y319-S322 PolarHBondContact O-N 3.31Å; Y319-S322 VanDerWaalsContact O-N 3.14Å; Y319-I323 WeakPolarHBondContact O-CD1 3.06Å; Y319-I323 VanDerWaalsContact O-CG1 3.28Å; Y319-I323 WeakPolarHBondContact O-CG1 3.35Å; Y319-I323 PolarHBondContact O-N 3.48Å; Y319-W334 AromaticContact CD1-CH2 3.47Å; Y319-W334 HydrophobicContact CD1-CH2 3.47Å; Y319-W334 VanDerWaalsContact CD1-CH2 3.47Å; Y319-W334 HydrophobicContact CD1-CZ2 4.33Å; Y319-W334 AromaticContact CD1-CZ3 3.99Å; Y319-W334 HydrophobicContact CD1-CZ3 3.99Å; Y319-W334 AromaticContact CE1-CH2 3.48Å; Y319-W334 HydrophobicContact CE1-CH2 3.48Å; Y319-W334 VanDerWaalsContact CE1-CH2 3.48Å; Y319-W334 AromaticContact CE1-CZ3 3.99Å; Y319-W334 HydrophobicContact CE1-CZ3 3.99Å; Y319-W334 HydrophobicContact CG-CH2 4.24Å; Y319-D336 HydrophobicContact CE1-CB 4.45Å; Y319-D336 WeakPolarHBondContact CE1-OD1 3.25Å; Y319-D336 PolarHBondContact OH-OD1 2.84Å; Y319-P357 HydrophobicContact CE1-CG 4.29Å; Y319-M372 HydrophobicContact CD1-CB 4.38Å; Y319-M372 HydrophobicContact CD2-CB 4.37Å; Y319-M372 HydrophobicContact CD2-CG 3.84Å; Y319-M372 HydrophobicContact CD2-SD 3.92Å; Y319-M372 HydrophobicContact CE1-CB 4.43Å; Y319-M372 HydrophobicContact CE2-CB 4.42Å; Y319-M372 HydrophobicContact CE2-CG 3.89Å; Y319-M372 HydrophobicContact CE2-SD 3.35Å; Y319-M372 WeakPolarHBondContact CE2-SD 3.25Å; Y319-M372 HydrophobicContact CG-CB 4.34Å; Y319-M372 HydrophobicContact CG-CG 4.26Å; Y319-L376 HydrophobicContact CD1-CD1 3.53Å; Y319-L376 HydrophobicContact CD1-CD2 4Å; Y319-L376 HydrophobicContact CD1-CG 3.67Å; Y319-L376 HydrophobicContact CE1-CD1 3.62Å; Y319-L376 HydrophobicContact CE1-CG 4.27Å |
| 320 | S | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -36 | -177.7 | 49.4 | 0 | 0 | 0 | 0 | 113.5 | G316 M317 I323 I324 H375 L417 | G316-S320 PolarHBondContact O-N 3.36Å; G316-S320 VanDerWaalsContact O-N 3.13Å; G316-S320 PolarHBondContact O-OG 2.78Å; M317-S320 PolarHBondContact O-OG 2.62Å; S320-I323 PolarHBondContact O-N 3.25Å; S320-I324 VanDerWaalsContact O-CG1 3.29Å; S320-I324 WeakPolarHBondContact O-CG1 3.35Å; S320-I324 PolarHBondContact O-N 2.91Å; S320-H375 WeakPolarHBondContact CB-ND1 3.44Å; S320-H375 PolarHBondContact OG-ND1 3.31Å; S320-L417 WeakPolarHBondContact OG-CD1 3.28Å; S320-L417 VanDerWaalsContact OG-CD2 3.27Å; S320-L417 WeakPolarHBondContact OG-CD2 3.17Å |
| 321 | H | 97.8 | Very high | 96.8 | Very high | 57 Ų | 57 | 31.2 Ų | 31.2 | 26% | 0.264 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.6 | -43 | 175.4 | 178.1 | 69.4 | 0 | 0 | 0 | 111.3 | M317 Y319 T325 D401 L417 R419 | M317-H321 WeakPolarHBondContact O-CB 3.32Å; M317-H321 PolarHBondContact O-N 3.13Å; Y319-H321 VanDerWaalsContact C-N 3.31Å; Y319-H321 PolarHBondContact O-N 2.97Å; H321-T325 WeakPolarHBondContact O-CB 3.14Å; H321-T325 PolarHBondContact O-N 2.83Å; H321-T325 PolarHBondContact O-OG1 3.1Å; H321-D401 IonicContact CE1-OD1 3.31Å; H321-D401 IonicContact CE1-OD2 3.33Å; H321-D401 IonicContact CG-OD2 2.93Å; H321-D401 IonicContact ND1-OD1 3.98Å; H321-D401 PolarHBondContact ND1-OD1 3.15Å; H321-D401 IonicContact ND1-OD2 3.67Å; H321-D401 PolarHBondContact ND1-OD2 3.2Å; H321-L417 HydrophobicContact CB-CD2 3.89Å; H321-R419 PolarHBondContact CE1-NH2 3.26Å; H321-R419 VanDerWaalsContact CE1-NH2 3.33Å; H321-R419 PolarHBondContact ND1-NE 2.98Å; H321-R419 PolarHBondContact ND1-NH2 2.91Å |
| 322 | S | 96.7 | Very high | 96.7 | Very high | 7 Ų | 7 | 29.5 Ų | 29.5 | 5% | 0.049 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 174.6 | 179.3 | 0 | 0 | 0 | 0 | 111.3 | Q318 Y319 I324 T325 N326 W334 | Q318-S322 VanDerWaalsContact O-CB 3.31Å; Q318-S322 WeakPolarHBondContact O-CB 3.22Å; Q318-S322 PolarHBondContact O-N 2.97Å; Y319-S322 WeakPolarHBondContact O-CB 3.49Å; Y319-S322 PolarHBondContact O-N 3.31Å; Y319-S322 VanDerWaalsContact O-N 3.14Å; S322-I324 PolarHBondContact O-N 3.06Å; S322-T325 WeakPolarHBondContact O-CB 3.37Å; S322-T325 PolarHBondContact O-N 3.33Å; S322-N326 WeakPolarHBondContact O-CB 3.31Å; S322-N326 PolarHBondContact O-N 3.27Å; S322-N326 PolarHBondContact O-ND2 2.88Å; S322-N326 PolarHBondContact OG-ND2 3.26Å; S322-W334 PolarHBondContact OG-NE1 2.87Å |
| 323 | I | 96.4 | Very high | 96.3 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 179.6 | -64.1 | 152.6 | 0 | 0 | 0 | 111.1 | M21 Y319 S320 T325 N326 L327 W334 L376 F379 | M21-I323 HydrophobicContact CE-CD1 3.38Å; M21-I323 HydrophobicContact CE-CG1 4Å; M21-I323 HydrophobicContact CE-CG2 3.99Å; M21-I323 HydrophobicContact SD-CD1 3.47Å; M21-I323 WeakPolarHBondContact SD-CD1 3.37Å; M21-I323 HydrophobicContact SD-CG1 3.65Å; M21-I323 HydrophobicContact SD-CG2 4.26Å; Y319-I323 WeakPolarHBondContact O-CD1 3.06Å; Y319-I323 VanDerWaalsContact O-CG1 3.28Å; Y319-I323 WeakPolarHBondContact O-CG1 3.35Å; Y319-I323 PolarHBondContact O-N 3.48Å; S320-I323 PolarHBondContact O-N 3.25Å; I323-T325 VanDerWaalsContact C-N 3.33Å; I323-T325 PolarHBondContact O-N 2.85Å; I323-N326 PolarHBondContact O-N 3.46Å; I323-L327 HydrophobicContact CG2-CD1 3.95Å; I323-L327 HydrophobicContact CG2-CG 4.4Å; I323-L327 WeakPolarHBondContact O-CB 3.47Å; I323-L327 VanDerWaalsContact O-CG 3.31Å; I323-L327 WeakPolarHBondContact O-CG 3.48Å; I323-L327 PolarHBondContact O-N 3.27Å; I323-W334 HydrophobicContact CG1-CD2 3.81Å; I323-W334 HydrophobicContact CG1-CE3 4.3Å; I323-W334 HydrophobicContact CG1-CG 3.91Å; I323-L376 HydrophobicContact CD1-CD2 3.89Å; I323-F379 HydrophobicContact CB-CD2 4.46Å; I323-F379 HydrophobicContact CB-CE1 4.33Å; I323-F379 HydrophobicContact CB-CE2 4.25Å; I323-F379 HydrophobicContact CB-CZ 4.17Å; I323-F379 HydrophobicContact CD1-CD2 3.94Å; I323-F379 HydrophobicContact CD1-CE2 4.02Å; I323-F379 HydrophobicContact CG2-CB 4.42Å; I323-F379 HydrophobicContact CG2-CD1 3.57Å; I323-F379 HydrophobicContact CG2-CD2 4.04Å; I323-F379 HydrophobicContact CG2-CE1 3.71Å; I323-F379 HydrophobicContact CG2-CE2 4.18Å; I323-F379 HydrophobicContact CG2-CG 3.76Å; I323-F379 HydrophobicContact CG2-CZ 4.03Å |
| 324 | I | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.2 | -46.8 | 176.1 | -69.8 | 165.2 | 0 | 0 | 0 | 110.2 | S320 S322 N326 L327 L328 F379 D401 V403 L417 | S320-I324 VanDerWaalsContact O-CG1 3.29Å; S320-I324 WeakPolarHBondContact O-CG1 3.35Å; S320-I324 PolarHBondContact O-N 2.91Å; S322-I324 PolarHBondContact O-N 3.06Å; I324-N326 PolarHBondContact O-N 2.82Å; I324-L327 PolarHBondContact O-N 3.43Å; I324-L328 HydrophobicContact CG2-CD1 3.73Å; I324-L328 HydrophobicContact CG2-CG 4.21Å; I324-L328 WeakPolarHBondContact O-CB 3.46Å; I324-L328 WeakPolarHBondContact O-CG 3.44Å; I324-L328 PolarHBondContact O-N 3.47Å; I324-F379 HydrophobicContact CD1-CE1 4.45Å; I324-F379 HydrophobicContact CD1-CZ 4.05Å; I324-F379 HydrophobicContact CG1-CE1 3.72Å; I324-F379 HydrophobicContact CG1-CZ 3.68Å; I324-D401 HydrophobicContact CD1-CB 3.78Å; I324-D401 HydrophobicContact CG2-CB 4.11Å; I324-V403 HydrophobicContact CG1-CG1 4.08Å; I324-V403 HydrophobicContact CG2-CB 4.36Å; I324-L417 HydrophobicContact CD1-CB 3.81Å; I324-L417 HydrophobicContact CD1-CD2 4.38Å |
| 325 | T | 97.1 | Very high | 95.9 | Very high | 29 Ų | 29 | 20.7 Ų | 20.7 | 18% | 0.178 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.7 | -48.2 | 177.9 | -61.6 | 0 | 0 | 0 | 0 | 111.4 | A276 H321 S322 I323 L328 Y329 | A276-T325 HydrophobicContact CB-CG2 3.73Å; H321-T325 WeakPolarHBondContact O-CB 3.14Å; H321-T325 PolarHBondContact O-N 2.83Å; H321-T325 PolarHBondContact O-OG1 3.1Å; S322-T325 WeakPolarHBondContact O-CB 3.37Å; S322-T325 PolarHBondContact O-N 3.33Å; I323-T325 VanDerWaalsContact C-N 3.33Å; I323-T325 PolarHBondContact O-N 2.85Å; T325-L328 PolarHBondContact O-N 3.38Å; T325-Y329 HydrophobicContact CG2-CD2 3.8Å; T325-Y329 HydrophobicContact CG2-CE2 4.01Å; T325-Y329 WeakPolarHBondContact O-CD2 3.48Å; T325-Y329 PolarHBondContact O-N 3.01Å |
| 326 | N | 95.7 | Very high | 95.6 | Very high | 9 Ų | 9 | 20.5 Ų | 20.5 | 5% | 0.048 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.3 | -49 | 178.7 | -85.7 | -90.5 | 0 | 0 | 0 | 111.3 | S322 I323 I324 L328 Y329 H330 V331 | S322-N326 WeakPolarHBondContact O-CB 3.31Å; S322-N326 PolarHBondContact O-N 3.27Å; S322-N326 PolarHBondContact O-ND2 2.88Å; S322-N326 PolarHBondContact OG-ND2 3.26Å; I323-N326 PolarHBondContact O-N 3.46Å; I324-N326 PolarHBondContact O-N 2.82Å; N326-L328 PolarHBondContact O-N 2.98Å; N326-Y329 CarbonylContact O-C 3.57Å; N326-Y329 VanDerWaalsContact O-C 3.26Å; N326-Y329 PolarHBondContact O-N 2.77Å; N326-H330 PolarHBondContact O-N 2.7Å; N326-V331 HydrophobicContact CB-CB 3.82Å; N326-V331 HydrophobicContact CB-CG1 4.11Å; N326-V331 HydrophobicContact CB-CG2 4.02Å; N326-V331 VanDerWaalsContact O-CB 3.28Å; N326-V331 WeakPolarHBondContact O-CB 3.03Å; N326-V331 WeakPolarHBondContact O-CG2 2.93Å; N326-V331 PolarHBondContact O-N 3.33Å; N326-V331 WeakPolarHBondContact OD1-CG2 3.4Å |
| 327 | L | 95.5 | Very high | 95.2 | Very high | 10 Ų | 10 | 20.8 Ų | 20.8 | 5% | 0.052 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.1 | -42.4 | 177.5 | -69.4 | 172 | 0 | 0 | 0 | 112 | V18 I323 I324 Y329 H330 F379 R389 V403 | V18-L327 HydrophobicContact CG1-CD2 3.64Å; I323-L327 HydrophobicContact CG2-CD1 3.95Å; I323-L327 HydrophobicContact CG2-CG 4.4Å; I323-L327 WeakPolarHBondContact O-CB 3.47Å; I323-L327 VanDerWaalsContact O-CG 3.31Å; I323-L327 WeakPolarHBondContact O-CG 3.48Å; I323-L327 PolarHBondContact O-N 3.27Å; I324-L327 PolarHBondContact O-N 3.43Å; L327-Y329 PolarHBondContact O-N 2.9Å; L327-H330 PolarHBondContact O-N 3.18Å; L327-F379 HydrophobicContact CD1-CD1 4.22Å; L327-F379 HydrophobicContact CD1-CE1 4.47Å; L327-R389 WeakPolarHBondContact O-CD 3.43Å; L327-V403 HydrophobicContact CB-CG2 4.05Å; L327-V403 HydrophobicContact CD1-CG1 4.09Å; L327-V403 HydrophobicContact CD1-CG2 4.35Å |
| 328 | L | 96.2 | Very high | 94.7 | Very high | 70 Ų | 70 | 20.3 Ų | 20.3 | 37% | 0.366 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -64.7 | -23.2 | 176.5 | -70.6 | 176.1 | 0 | 0 | 0 | 113 | I324 T325 N326 V403 | I324-L328 HydrophobicContact CG2-CD1 3.73Å; I324-L328 HydrophobicContact CG2-CG 4.21Å; I324-L328 WeakPolarHBondContact O-CB 3.46Å; I324-L328 WeakPolarHBondContact O-CG 3.44Å; I324-L328 PolarHBondContact O-N 3.47Å; T325-L328 PolarHBondContact O-N 3.38Å; N326-L328 PolarHBondContact O-N 2.98Å; L328-V403 HydrophobicContact CD2-CG2 4.3Å |
| 329 | Y | 96.4 | Very high | 94.2 | Very high | 65 Ų | 65 | 17.3 Ų | 17.3 | 26% | 0.255 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 37.9 | 177.6 | -67.7 | -64.4 | 0 | 0 | 0 | 113.6 | A276 K277 R281 T325 N326 L327 V331 | A276-Y329 HydrophobicContact CB-CD2 3.41Å; A276-Y329 VanDerWaalsContact CB-CD2 3.41Å; A276-Y329 HydrophobicContact CB-CE2 3.65Å; A276-Y329 HydrophobicContact CB-CG 4.13Å; K277-Y329 HydrophobicContact CB-CE1 4.11Å; K277-Y329 HydrophobicContact CG-CE1 4.44Å; R281-Y329 HydrophobicContact CB-CD1 3.75Å; R281-Y329 HydrophobicContact CB-CE1 4.15Å; R281-Y329 HydrophobicContact CG-CD1 4.24Å; T325-Y329 HydrophobicContact CG2-CD2 3.8Å; T325-Y329 HydrophobicContact CG2-CE2 4.01Å; T325-Y329 WeakPolarHBondContact O-CD2 3.48Å; T325-Y329 PolarHBondContact O-N 3.01Å; N326-Y329 CarbonylContact O-C 3.57Å; N326-Y329 VanDerWaalsContact O-C 3.26Å; N326-Y329 PolarHBondContact O-N 2.77Å; L327-Y329 PolarHBondContact O-N 2.9Å; Y329-V331 VanDerWaalsContact C-N 3.27Å; Y329-V331 PolarHBondContact O-N 3.47Å |
| 330 | H | 95.9 | Very high | 93.6 | Very high | 63 Ų | 63 | 17.3 Ų | 17.3 | 29% | 0.292 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 11.3 | 165.9 | -43.2 | -84.6 | 0 | 0 | 0 | 116.3 | H284 N326 L327 | H284-H330 HydrophobicContact CB-CB 4.12Å; H284-H330 AromaticContact CD2-CD2 3.34Å; H284-H330 PolarHBondContact CD2-CD2 3.47Å; H284-H330 AromaticContact CD2-CE1 3.5Å; H284-H330 AromaticContact CD2-CG 3.28Å; H284-H330 AromaticContact CD2-ND1 3.39Å; H284-H330 PolarHBondContact CD2-ND1 3.26Å; H284-H330 AromaticContact CD2-NE2 3.5Å; H284-H330 AromaticContact CG-CD2 3.6Å; H284-H330 AromaticContact CG-CG 3.5Å; H284-H330 VanDerWaalsContact CG-CG 3.5Å; H284-H330 AromaticContact ND1-CG 3.97Å; H284-H330 AromaticContact NE2-CE1 3.75Å; H284-H330 AromaticContact NE2-CG 3.65Å; H284-H330 AromaticContact NE2-ND1 3.38Å; H284-H330 PolarHBondContact NE2-ND1 3.25Å; N326-H330 PolarHBondContact O-N 2.7Å; L327-H330 PolarHBondContact O-N 3.18Å |
| 331 | V | 95.6 | Very high | 93.1 | Very high | 5 Ų | 5 | 17.3 Ų | 17.3 | 3% | 0.03 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 131.4 | 173.7 | 178.6 | 0 | 0 | 0 | 0 | 109.5 | L280 L292 A294 N326 Y329 G333 | L280-V331 HydrophobicContact CD1-CG2 3.83Å; L280-V331 HydrophobicContact CD2-CG2 4.25Å; L292-V331 HydrophobicContact CB-CG2 3.96Å; L292-V331 CarbonylContact O-C 3.47Å; L292-V331 VanDerWaalsContact O-CA 3.31Å; L292-V331 WeakPolarHBondContact O-CA 3.21Å; A294-V331 HydrophobicContact CB-CG1 4.05Å; N326-V331 HydrophobicContact CB-CB 3.82Å; N326-V331 HydrophobicContact CB-CG1 4.11Å; N326-V331 HydrophobicContact CB-CG2 4.02Å; N326-V331 VanDerWaalsContact O-CB 3.28Å; N326-V331 WeakPolarHBondContact O-CB 3.03Å; N326-V331 WeakPolarHBondContact O-CG2 2.93Å; N326-V331 PolarHBondContact O-N 3.33Å; N326-V331 WeakPolarHBondContact OD1-CG2 3.4Å; Y329-V331 VanDerWaalsContact C-N 3.27Å; Y329-V331 PolarHBondContact O-N 3.47Å; V331-G333 WeakPolarHBondContact CG1-O 3.39Å |
| 332 | V | 94.1 | Very high | 92.6 | Very high | 16 Ų | 16 | 16.1 Ų | 16.1 | 10% | 0.097 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -10.5 | -171.4 | -53.9 | 0 | 0 | 0 | 0 | 113.6 | V18 S19 M291 L292 F293 | V18-V332 CarbonylContact C-O 3.38Å; V18-V332 WeakPolarHBondContact CA-O 3.46Å; V18-V332 WeakPolarHBondContact CG1-O 3.08Å; S19-V332 CarbonylContact C-O 3.58Å; S19-V332 PolarHBondContact N-O 3.5Å; M291-V332 HydrophobicContact CB-CG1 4.18Å; M291-V332 HydrophobicContact CB-CG2 4.14Å; M291-V332 HydrophobicContact CE-CG2 4.38Å; M291-V332 HydrophobicContact CG-CG2 4.37Å; M291-V332 HydrophobicContact SD-CG2 3.73Å; L292-V332 WeakPolarHBondContact O-CG2 3.49Å; L292-V332 PolarHBondContact O-N 2.98Å; F293-V332 HydrophobicContact CD2-CG2 4.24Å |
| 333 | G | 90.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 3% | 0.031 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.1 | 163.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S19 A294 V331 | S19-G333 WeakPolarHBondContact O-CA 3.48Å; A294-G333 PolarHBondContact N-O 2.94Å; V331-G333 WeakPolarHBondContact CG1-O 3.39Å |
| 334 | W | 95.5 | Very high | 92.1 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 2% | 0.023 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 126.7 | -172.3 | -169.7 | 103.6 | 0 | 0 | 0 | 110.9 | M21 A22 A294 A297 Y319 S322 I323 D336 L376 | M21-W334 WeakPolarHBondContact CA-O 3.21Å; M21-W334 WeakPolarHBondContact CB-O 3.44Å; M21-W334 HydrophobicContact CG-CB 3.91Å; M21-W334 HydrophobicContact CG-CE3 4.48Å; M21-W334 WeakPolarHBondContact CG-O 3.44Å; M21-W334 HydrophobicContact SD-CB 3.85Å; M21-W334 HydrophobicContact SD-CD2 3.96Å; M21-W334 HydrophobicContact SD-CE3 3.5Å; M21-W334 VanDerWaalsContact SD-CE3 3.5Å; M21-W334 HydrophobicContact SD-CG 4.15Å; M21-W334 HydrophobicContact SD-CZ3 4.38Å; A22-W334 PolarHBondContact N-O 3.5Å; A294-W334 HydrophobicContact CB-CB 4.23Å; A294-W334 HydrophobicContact CB-CG 4.02Å; A294-W334 CarbonylContact O-C 3.46Å; A294-W334 VanDerWaalsContact O-CA 3.27Å; A294-W334 WeakPolarHBondContact O-CA 3.19Å; A297-W334 HydrophobicContact CB-CH2 3.44Å; A297-W334 VanDerWaalsContact CB-CH2 3.44Å; A297-W334 HydrophobicContact CB-CZ2 3.13Å; A297-W334 HydrophobicContact CB-CZ3 4.38Å; Y319-W334 AromaticContact CD1-CH2 3.47Å; Y319-W334 HydrophobicContact CD1-CH2 3.47Å; Y319-W334 VanDerWaalsContact CD1-CH2 3.47Å; Y319-W334 HydrophobicContact CD1-CZ2 4.33Å; Y319-W334 AromaticContact CD1-CZ3 3.99Å; Y319-W334 HydrophobicContact CD1-CZ3 3.99Å; Y319-W334 AromaticContact CE1-CH2 3.48Å; Y319-W334 HydrophobicContact CE1-CH2 3.48Å; Y319-W334 VanDerWaalsContact CE1-CH2 3.48Å; Y319-W334 AromaticContact CE1-CZ3 3.99Å; Y319-W334 HydrophobicContact CE1-CZ3 3.99Å; Y319-W334 HydrophobicContact CG-CH2 4.24Å; S322-W334 PolarHBondContact OG-NE1 2.87Å; I323-W334 HydrophobicContact CG1-CD2 3.81Å; I323-W334 HydrophobicContact CG1-CE3 4.3Å; I323-W334 HydrophobicContact CG1-CG 3.91Å; W334-D336 HydrophobicContact CZ3-CB 3.84Å; W334-D336 VanDerWaalsContact CZ3-N 3.35Å; W334-L376 HydrophobicContact CE3-CD2 3.91Å; W334-L376 HydrophobicContact CH2-CD2 4.44Å; W334-L376 HydrophobicContact CZ3-CD2 3.6Å |
| 335 | T | 90.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 123.3 | -171.5 | -54.7 | 0 | 0 | 0 | 0 | 109.6 | A22 W76 F293 A294 S295 E296 A297 | A22-T335 HydrophobicContact CB-CG2 3.33Å; W76-T335 HydrophobicContact CB-CG2 3.97Å; F293-T335 WeakPolarHBondContact CE1-OG1 3.33Å; F293-T335 VanDerWaalsContact CZ-OG1 3.25Å; F293-T335 WeakPolarHBondContact CZ-OG1 3.22Å; A294-T335 WeakPolarHBondContact O-CB 3.42Å; A294-T335 PolarHBondContact O-N 3.08Å; A294-T335 PolarHBondContact O-OG1 2.89Å; S295-T335 VanDerWaalsContact O-CB 3.23Å; S295-T335 WeakPolarHBondContact O-CB 3.26Å; S295-T335 WeakPolarHBondContact O-CG2 3.48Å; E296-T335 CarbonylContact C-O 3.45Å; E296-T335 WeakPolarHBondContact CA-O 3.41Å; A297-T335 PolarHBondContact N-O 3.32Å; A297-T335 VanDerWaalsContact N-O 3.08Å |
| 336 | D | 90.5 | Very high | 91.3 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 156.9 | 168.2 | -175.4 | 45.3 | 0 | 0 | 0 | 110.2 | A22 S24 A297 Y319 W334 P357 L376 | A22-D336 WeakPolarHBondContact O-CB 3.22Å; A22-D336 PolarHBondContact O-N 3.14Å; S24-D336 PolarHBondContact N-O 3.2Å; A297-D336 VanDerWaalsContact O-OD1 3.08Å; Y319-D336 HydrophobicContact CE1-CB 4.45Å; Y319-D336 WeakPolarHBondContact CE1-OD1 3.25Å; Y319-D336 PolarHBondContact OH-OD1 2.84Å; W334-D336 HydrophobicContact CZ3-CB 3.84Å; W334-D336 VanDerWaalsContact CZ3-N 3.35Å; D336-P357 WeakPolarHBondContact OD2-CD 3.39Å; D336-P357 WeakPolarHBondContact OD2-CG 3.45Å; D336-L376 HydrophobicContact CB-CD1 4.42Å |
| 337 | W | 88.4 | Confident | 90.9 | Very high | 6 Ų | 6 | 23.4 Ų | 23.4 | 2% | 0.023 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | -116.1 | 173.5 | -160.8 | -140.2 | 0 | 0 | 0 | 111 | S24 W76 F84 W135 E296 A297 C298 L339 | S24-W337 VanDerWaalsContact CA-O 3.28Å; S24-W337 WeakPolarHBondContact CA-O 3.05Å; S24-W337 WeakPolarHBondContact CB-O 3.36Å; S24-W337 PolarHBondContact N-O 3.28Å; W76-W337 HydrophobicContact CD2-CZ3 4.26Å; W76-W337 HydrophobicContact CE3-CE3 4.31Å; W76-W337 AromaticContact CE3-CZ3 3.85Å; W76-W337 HydrophobicContact CE3-CZ3 3.85Å; W76-W337 HydrophobicContact CH2-CE3 4.13Å; W76-W337 AromaticContact CH2-CH2 3.07Å; W76-W337 HydrophobicContact CH2-CH2 3.07Å; W76-W337 HydrophobicContact CH2-CZ2 4.19Å; W76-W337 AromaticContact CH2-CZ3 2.99Å; W76-W337 HydrophobicContact CH2-CZ3 2.99Å; W76-W337 AromaticContact CZ2-CH2 3.91Å; W76-W337 HydrophobicContact CZ2-CH2 3.91Å; W76-W337 AromaticContact CZ2-CZ3 3.6Å; W76-W337 HydrophobicContact CZ2-CZ3 3.6Å; W76-W337 AromaticContact CZ3-CE3 3.88Å; W76-W337 HydrophobicContact CZ3-CE3 3.88Å; W76-W337 AromaticContact CZ3-CH2 3.46Å; W76-W337 HydrophobicContact CZ3-CH2 3.46Å; W76-W337 VanDerWaalsContact CZ3-CH2 3.46Å; W76-W337 HydrophobicContact CZ3-CZ2 4.32Å; W76-W337 AromaticContact CZ3-CZ3 3.15Å; W76-W337 HydrophobicContact CZ3-CZ3 3.15Å; F84-W337 AromaticContact CD2-NE1 3.5Å; F84-W337 AromaticContact CE2-CD1 3.97Å; F84-W337 AromaticContact CE2-NE1 3.5Å; W135-W337 HydrophobicContact CH2-CH2 4.37Å; W135-W337 AromaticContact CZ2-CH2 3.47Å; W135-W337 HydrophobicContact CZ2-CH2 3.47Å; W135-W337 VanDerWaalsContact CZ2-CH2 3.47Å; W135-W337 AromaticContact CZ2-CZ2 3.74Å; W135-W337 HydrophobicContact CZ2-CZ2 3.74Å; W135-W337 HydrophobicContact CZ2-CZ3 4.46Å; E296-W337 HydrophobicContact CB-CE3 3.92Å; E296-W337 HydrophobicContact CB-CZ3 3.93Å; E296-W337 VanDerWaalsContact CD-CD2 3.49Å; E296-W337 HydrophobicContact CG-CB 4.31Å; E296-W337 HydrophobicContact CG-CD2 3.7Å; E296-W337 HydrophobicContact CG-CE3 3.26Å; E296-W337 HydrophobicContact CG-CG 4.19Å; E296-W337 HydrophobicContact CG-CH2 4.21Å; E296-W337 HydrophobicContact CG-CZ3 3.53Å; E296-W337 WeakPolarHBondContact OE1-CZ2 3.37Å; E296-W337 WeakPolarHBondContact OE2-CH2 3.39Å; E296-W337 WeakPolarHBondContact OE2-CZ3 3.46Å; A297-W337 PolarHBondContact O-N 3.36Å; C298-W337 HydrophobicContact CB-CB 3.73Å; C298-W337 HydrophobicContact CB-CG 4.45Å; W337-L339 PolarHBondContact O-N 2.94Å |
| 338 | N | 87.3 | Confident | 90.7 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 123.2 | -175.4 | -63.5 | -68.7 | 0 | 0 | 0 | 113.1 | T26 G27 F84 A340 L341 S356 | T26-N338 WeakPolarHBondContact CB-OD1 3.36Å; G27-N338 PolarHBondContact N-OD1 3.24Å; F84-N338 WeakPolarHBondContact CD1-ND2 3.27Å; F84-N338 WeakPolarHBondContact CD2-ND2 3.46Å; F84-N338 VanDerWaalsContact CE1-ND2 3.29Å; F84-N338 WeakPolarHBondContact CE1-ND2 3.29Å; F84-N338 WeakPolarHBondContact CE2-ND2 3.48Å; F84-N338 WeakPolarHBondContact CG-ND2 3.37Å; F84-N338 VanDerWaalsContact CZ-ND2 3.35Å; F84-N338 WeakPolarHBondContact CZ-ND2 3.39Å; N338-A340 VanDerWaalsContact C-N 3.28Å; N338-A340 PolarHBondContact O-N 3.37Å; N338-L341 HydrophobicContact CB-CD1 3.97Å; N338-L341 HydrophobicContact CB-CD2 3.78Å; N338-L341 HydrophobicContact CB-CG 3.72Å; N338-S356 WeakPolarHBondContact O-CB 3.45Å; N338-S356 PolarHBondContact O-OG 3.48Å |
| 339 | L | 85 | Confident | 90.4 | Very high | 12 Ų | 12 | 24.5 Ų | 24.5 | 6% | 0.063 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -60.3 | -34.9 | 178.5 | -171.3 | 67.5 | 0 | 0 | 0 | 113.3 | S24 L25 L28 N64 Y72 W337 S356 | S24-L339 WeakPolarHBondContact O-CB 3.31Å; S24-L339 PolarHBondContact O-N 3.35Å; L25-L339 HydrophobicContact CD2-CD2 3.74Å; L28-L339 HydrophobicContact CD1-CB 4.34Å; L28-L339 HydrophobicContact CD1-CD2 3.87Å; L28-L339 HydrophobicContact CD1-CG 4.1Å; N64-L339 HydrophobicContact CB-CD1 4.42Å; N64-L339 VanDerWaalsContact ND2-CD1 3.31Å; N64-L339 WeakPolarHBondContact ND2-CD1 3.44Å; Y72-L339 HydrophobicContact CD2-CD1 4.11Å; Y72-L339 HydrophobicContact CE2-CD1 3.7Å; W337-L339 PolarHBondContact O-N 2.94Å; L339-S356 PolarHBondContact O-OG 3.44Å |
| 340 | A | 84.4 | Confident | 90.3 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | trans | -149.7 | 151.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G27 L28 L31 N338 S356 I358 V360 | G27-A340 CarbonylContact C-O 3.57Å; G27-A340 WeakPolarHBondContact CA-O 3.46Å; L28-A340 HydrophobicContact CD1-CB 3.5Å; L28-A340 VanDerWaalsContact CD1-CB 3.5Å; L31-A340 HydrophobicContact CD1-CB 4.21Å; N338-A340 VanDerWaalsContact C-N 3.28Å; N338-A340 PolarHBondContact O-N 3.37Å; A340-S356 VanDerWaalsContact CA-OG 3.24Å; A340-S356 WeakPolarHBondContact CA-OG 3.19Å; A340-S356 PolarHBondContact N-OG 3.28Å; A340-I358 CarbonylContact C-O 3.57Å; A340-I358 WeakPolarHBondContact CA-O 3.38Å; A340-I358 HydrophobicContact CB-CB 4.08Å; A340-I358 HydrophobicContact CB-CG2 4.06Å; A340-V360 HydrophobicContact CB-CG2 3.99Å | ||
| 341 | L | 87.3 | Confident | 90.1 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | B | Isolated β-bridge | trans | -137.1 | 168.1 | 172.8 | -68.9 | 172.5 | 0 | 0 | 0 | 110.8 | F84 N338 G346 V354 I358 I359 V360 | F84-L341 HydrophobicContact CD1-CD2 3.76Å; F84-L341 HydrophobicContact CE1-CD1 4.06Å; F84-L341 HydrophobicContact CE1-CD2 3.69Å; N338-L341 HydrophobicContact CB-CD1 3.97Å; N338-L341 HydrophobicContact CB-CD2 3.78Å; N338-L341 HydrophobicContact CB-CG 3.72Å; L341-G346 WeakPolarHBondContact CD2-O 3.17Å; L341-V354 HydrophobicContact CD1-CG2 3.74Å; L341-V354 WeakPolarHBondContact CD1-O 3.39Å; L341-I358 PolarHBondContact N-O 3.46Å; L341-I359 HydrophobicContact CB-CD1 4.33Å; L341-I359 CarbonylContact O-C 3.46Å; L341-I359 VanDerWaalsContact O-CA 3.27Å; L341-I359 WeakPolarHBondContact O-CA 3.46Å; L341-V360 PolarHBondContact O-N 3.08Å |
| 342 | N | 87.9 | Confident | 89.9 | Confident | 32 Ų | 32 | 32.3 Ų | 32.3 | 17% | 0.171 | 15% | 0.153 | C | C | . | . | trans | -76.8 | 174.1 | 170.3 | 76.6 | 6.5 | 0 | 0 | 0 | 111.5 | L31 E344 G345 G346 | L31-N342 HydrophobicContact CD2-CB 3.97Å; N342-E344 PolarHBondContact O-N 3.02Å; N342-E344 VanDerWaalsContact O-N 3.12Å; N342-E344 WeakPolarHBondContact OD1-CA 3.46Å; N342-E344 WeakPolarHBondContact OD1-CB 3.41Å; N342-E344 PolarHBondContact OD1-N 3.37Å; N342-G345 PolarHBondContact O-N 2.94Å; N342-G345 PolarHBondContact OD1-N 2.85Å; N342-G346 PolarHBondContact N-O 3.43Å; N342-G346 PolarHBondContact OD1-N 2.92Å; N342-G346 PolarHBondContact OD1-O 3.34Å | ||
| 343 | P | 91.5 | Very high | 89.8 | Confident | 64 Ų | 64 | 33.1 Ų | 33.1 | 42% | 0.416 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -12.9 | 180 | -23.4 | 35.8 | 0 | 0 | 0 | 115.4 | V308 I359 V360 D361 | V308-P343 WeakPolarHBondContact CB-O 3.28Å; P343-I359 HydrophobicContact CB-CG2 4.2Å; P343-I359 HydrophobicContact CG-CG2 3.96Å; P343-V360 WeakPolarHBondContact CD-O 3.29Å; P343-D361 HydrophobicContact CG-CB 4.44Å |
| 344 | E | 91.5 | Very high | 89.9 | Confident | 117 Ų | 117 | 33 Ų | 33 | 55% | 0.547 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -19.8 | 173.1 | -167.3 | 177.1 | -170 | 0 | 0 | 111.9 | N342 F353 | N342-E344 PolarHBondContact O-N 3.02Å; N342-E344 VanDerWaalsContact O-N 3.12Å; N342-E344 WeakPolarHBondContact OD1-CA 3.46Å; N342-E344 WeakPolarHBondContact OD1-CB 3.41Å; N342-E344 PolarHBondContact OD1-N 3.37Å; E344-F353 HydrophobicContact CG-CD2 4Å; E344-F353 HydrophobicContact CG-CE2 3.74Å; E344-F353 HydrophobicContact CG-CZ 4.17Å; E344-F353 WeakPolarHBondContact OE1-CE2 3.48Å |
| 345 | G | 89.9 | Confident | 89.9 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | S | Bend | trans | 93.8 | 24.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V308 N342 F353 V354 | V308-G345 VanDerWaalsContact CG2-CA 3.41Å; N342-G345 PolarHBondContact O-N 2.94Å; N342-G345 PolarHBondContact OD1-N 2.85Å; G345-F353 WeakPolarHBondContact O-CA 3.46Å; G345-F353 WeakPolarHBondContact O-CB 3.31Å; G345-F353 WeakPolarHBondContact O-CD1 3.31Å; G345-V354 WeakPolarHBondContact CA-O 3.4Å; G345-V354 PolarHBondContact O-N 3.3Å |
| 346 | G | 86.5 | Confident | 90 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -135.4 | -153.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L341 N342 | L341-G346 WeakPolarHBondContact CD2-O 3.17Å; N342-G346 PolarHBondContact N-O 3.43Å; N342-G346 PolarHBondContact OD1-N 2.92Å; N342-G346 PolarHBondContact OD1-O 3.34Å | ||
| 347 | P | 89.2 | Confident | 90 | Very high | 20 Ų | 20 | 32.9 Ų | 32.9 | 13% | 0.13 | 15% | 0.154 | C | C | . | . | cis | -74.7 | 156.6 | 5.4 | 35 | -39.6 | 0 | 0 | 0 | 112.7 | L30 V34 I86 | L30-P347 HydrophobicContact CB-CG 3.39Å; L30-P347 HydrophobicContact CD1-CG 3.93Å; L30-P347 WeakPolarHBondContact CD1-O 3.41Å; L30-P347 HydrophobicContact CD2-CG 4.03Å; L30-P347 HydrophobicContact CG-CG 3.98Å; V34-P347 HydrophobicContact CG2-CB 4.24Å; V34-P347 HydrophobicContact CG2-CG 3.82Å; I86-P347 HydrophobicContact CG2-CB 4.07Å; I86-P347 HydrophobicContact CG2-CG 3.98Å | ||
| 348 | N | 91.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 32.6 Ų | 32.6 | 5% | 0.053 | 15% | 0.153 | C | C | . | . | trans | -155 | 122.7 | -178.4 | 179.1 | -62.5 | 0 | 0 | 0 | 107.3 | D83 F84 V350 R351 N352 F353 | D83-N348 VanDerWaalsContact C-ND2 3.28Å; D83-N348 WeakPolarHBondContact O-CA 3.43Å; D83-N348 PolarHBondContact O-ND2 3.34Å; D83-N348 PolarHBondContact O-OD1 3.31Å; D83-N348 PolarHBondContact OD2-ND2 2.99Å; F84-N348 HydrophobicContact CD1-CB 4.2Å; F84-N348 WeakPolarHBondContact CD2-ND2 3.48Å; F84-N348 HydrophobicContact CE1-CB 4.17Å; F84-N348 WeakPolarHBondContact CE2-ND2 3.28Å; F84-N348 WeakPolarHBondContact CZ-ND2 3.33Å; N348-V350 PolarHBondContact O-N 2.89Å; N348-V350 WeakPolarHBondContact OD1-CG2 3.46Å; N348-V350 PolarHBondContact OD1-N 3.16Å; N348-V350 VanDerWaalsContact OD1-N 3.13Å; N348-R351 PolarHBondContact O-N 3.3Å; N348-R351 PolarHBondContact OD1-N 3.48Å; N348-R351 VanDerWaalsContact OD1-N 3.1Å; N348-N352 PolarHBondContact ND2-O 3.44Å; N348-N352 PolarHBondContact OD1-N 2.93Å; N348-F353 HydrophobicContact CB-CD1 3.8Å; N348-F353 HydrophobicContact CB-CE1 3.85Å | ||
| 349 | W | 90.1 | Very high | 90.3 | Very high | 93 Ų | 93 | 32.5 Ų | 32.5 | 35% | 0.352 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -22.4 | -169.2 | 72.8 | -85.1 | 0 | 0 | 0 | 113.8 | C82 D83 S85 T88 F202 | C82-W349 PolarHBondContact O-NE1 2.99Å; D83-W349 VanDerWaalsContact O-CD1 3.25Å; D83-W349 PolarHBondContact O-N 3.42Å; D83-W349 VanDerWaalsContact O-N 3.14Å; S85-W349 VanDerWaalsContact O-CB 3.25Å; S85-W349 WeakPolarHBondContact O-CB 3.39Å; S85-W349 VanDerWaalsContact O-CD1 3.27Å; S85-W349 PolarHBondContact O-N 3.39Å; S85-W349 VanDerWaalsContact O-N 3.14Å; T88-W349 HydrophobicContact CG2-CD2 4Å; T88-W349 HydrophobicContact CG2-CE3 4.4Å; T88-W349 HydrophobicContact CG2-CH2 4.08Å; T88-W349 HydrophobicContact CG2-CZ2 3.62Å; T88-W349 HydrophobicContact CG2-CZ3 4.44Å; F202-W349 HydrophobicContact CB-CZ2 3.97Å |
| 350 | V | 93.4 | Very high | 90.4 | Very high | 41 Ų | 41 | 32.5 Ų | 32.5 | 25% | 0.248 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | 5.4 | 174.5 | -69.6 | 0 | 0 | 0 | 0 | 113.5 | D83 F202 N348 N352 | D83-V350 HydrophobicContact CB-CG2 3.9Å; F202-V350 HydrophobicContact CB-CG1 4.09Å; F202-V350 HydrophobicContact CB-CG2 3.96Å; F202-V350 HydrophobicContact CD1-CG2 3.89Å; F202-V350 HydrophobicContact CG-CG2 4.3Å; N348-V350 PolarHBondContact O-N 2.89Å; N348-V350 WeakPolarHBondContact OD1-CG2 3.46Å; N348-V350 PolarHBondContact OD1-N 3.16Å; N348-V350 VanDerWaalsContact OD1-N 3.13Å; V350-N352 HydrophobicContact CG2-CB 3.85Å; V350-N352 PolarHBondContact O-N 3.16Å |
| 351 | R | 92.3 | Very high | 90.5 | Very high | 201 Ų | 201 | 33.3 Ų | 33.3 | 76% | 0.758 | 16% | 0.157 | S | C | * | . | trans | 58 | 31.7 | -176.6 | -54.4 | -178.5 | 172.3 | -173.9 | -4.8 | 113.8 | N348 F353 | N348-R351 PolarHBondContact O-N 3.3Å; N348-R351 PolarHBondContact OD1-N 3.48Å; N348-R351 VanDerWaalsContact OD1-N 3.1Å; R351-F353 HydrophobicContact CB-CD2 4.39Å; R351-F353 HydrophobicContact CB-CE1 4.43Å; R351-F353 HydrophobicContact CB-CE2 3.89Å; R351-F353 HydrophobicContact CB-CZ 3.91Å; R351-F353 HydrophobicContact CG-CE2 4.18Å; R351-F353 HydrophobicContact CG-CZ 3.9Å; R351-F353 PolarHBondContact O-N 3.02Å | ||
| 352 | N | 90.6 | Very high | 90.3 | Very high | 55 Ų | 55 | 36.7 Ų | 36.7 | 29% | 0.294 | 18% | 0.175 | S | C | . | . | trans | -80.6 | 60.1 | 171.4 | -174.3 | 43.6 | 0 | 0 | 0 | 110.3 | D83 F84 N348 V350 | D83-N352 PolarHBondContact OD2-ND2 2.83Å; F84-N352 VanDerWaalsContact CZ-O 3.31Å; F84-N352 WeakPolarHBondContact CZ-O 3.46Å; N348-N352 PolarHBondContact ND2-O 3.44Å; N348-N352 PolarHBondContact OD1-N 2.93Å; V350-N352 HydrophobicContact CG2-CB 3.85Å; V350-N352 PolarHBondContact O-N 3.16Å | ||
| 353 | F | 93.1 | Very high | 90.2 | Very high | 33 Ų | 33 | 41.2 Ų | 41.2 | 15% | 0.145 | 20% | 0.204 | C | C | . | . | trans | -72.9 | 144 | -171.6 | -58.4 | -43.6 | 0 | 0 | 0 | 112.8 | S307 E344 G345 N348 R351 | S307-F353 WeakPolarHBondContact CB-O 3.31Å; S307-F353 VanDerWaalsContact OG-CB 3.27Å; S307-F353 WeakPolarHBondContact OG-CB 3.36Å; S307-F353 PolarHBondContact OG-O 2.88Å; E344-F353 HydrophobicContact CG-CD2 4Å; E344-F353 HydrophobicContact CG-CE2 3.74Å; E344-F353 HydrophobicContact CG-CZ 4.17Å; E344-F353 WeakPolarHBondContact OE1-CE2 3.48Å; G345-F353 WeakPolarHBondContact O-CA 3.46Å; G345-F353 WeakPolarHBondContact O-CB 3.31Å; G345-F353 WeakPolarHBondContact O-CD1 3.31Å; N348-F353 HydrophobicContact CB-CD1 3.8Å; N348-F353 HydrophobicContact CB-CE1 3.85Å; R351-F353 HydrophobicContact CB-CD2 4.39Å; R351-F353 HydrophobicContact CB-CE1 4.43Å; R351-F353 HydrophobicContact CB-CE2 3.89Å; R351-F353 HydrophobicContact CB-CZ 3.91Å; R351-F353 HydrophobicContact CG-CE2 4.18Å; R351-F353 HydrophobicContact CG-CZ 3.9Å; R351-F353 PolarHBondContact O-N 3.02Å | ||
| 354 | V | 92.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | trans | -138.3 | 175.7 | -178.8 | -55.6 | 0 | 0 | 0 | 0 | 111 | F84 C298 S307 L341 G345 | F84-V354 HydrophobicContact CE1-CG2 4.13Å; F84-V354 HydrophobicContact CE2-CG2 4.16Å; F84-V354 HydrophobicContact CZ-CB 4.33Å; F84-V354 HydrophobicContact CZ-CG1 4.19Å; F84-V354 HydrophobicContact CZ-CG2 3.43Å; F84-V354 VanDerWaalsContact CZ-CG2 3.43Å; C298-V354 HydrophobicContact CB-CG2 4.28Å; S307-V354 CarbonylContact O-C 3.46Å; L341-V354 HydrophobicContact CD1-CG2 3.74Å; L341-V354 WeakPolarHBondContact CD1-O 3.39Å; G345-V354 WeakPolarHBondContact CA-O 3.4Å; G345-V354 PolarHBondContact O-N 3.3Å | ||
| 355 | D | 95.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | trans | -85.5 | 165.2 | 171.1 | -145 | -26.1 | 0 | 0 | 0 | 111 | V299 S307 R309 R315 Q370 M372 | V299-D355 HydrophobicContact CG2-CB 3.74Å; V299-D355 PolarHBondContact O-N 3.09Å; S307-D355 WeakPolarHBondContact O-CA 3.04Å; S307-D355 WeakPolarHBondContact O-CB 3.37Å; S307-D355 PolarHBondContact O-N 3.43Å; S307-D355 VanDerWaalsContact O-N 3.11Å; R309-D355 PolarHBondContact N-OD2 2.57Å; R309-D355 VanDerWaalsContact N-OD2 3.15Å; R315-D355 VanDerWaalsContact CD-OD2 3.29Å; R315-D355 WeakPolarHBondContact CD-OD2 3.35Å; R315-D355 IonicContact CZ-OD2 3.44Å; R315-D355 IonicContact NE-OD2 3.23Å; R315-D355 VanDerWaalsContact NH1-CG 3.33Å; R315-D355 IonicContact NH1-OD2 3.77Å; R315-D355 PolarHBondContact NH1-OD2 3.41Å; D355-Q370 PolarHBondContact OD1-NE2 3.32Å; D355-M372 HydrophobicContact CB-CE 3.84Å; D355-M372 WeakPolarHBondContact OD1-CE 3.38Å | ||
| 356 | S | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -141.1 | 150.5 | 172.9 | 170.5 | 0 | 0 | 0 | 0 | 110 | N338 L339 A340 I358 Q370 M372 | N338-S356 WeakPolarHBondContact O-CB 3.45Å; N338-S356 PolarHBondContact O-OG 3.48Å; L339-S356 PolarHBondContact O-OG 3.44Å; A340-S356 VanDerWaalsContact CA-OG 3.24Å; A340-S356 WeakPolarHBondContact CA-OG 3.19Å; A340-S356 PolarHBondContact N-OG 3.28Å; S356-I358 PolarHBondContact O-N 2.92Å; S356-I358 PolarHBondContact OG-N 2.89Å; S356-I358 PolarHBondContact OG-O 2.89Å; S356-Q370 WeakPolarHBondContact O-CG 3.49Å; S356-M372 VanDerWaalsContact O-CE 3.25Å; S356-M372 WeakPolarHBondContact O-CE 3.05Å | ||
| 357 | P | 90.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.013 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -54.7 | -23.1 | 172.6 | -28.6 | 37.9 | 0 | 0 | 0 | 114.6 | Y319 D336 Q370 M372 F373 L376 | Y319-P357 HydrophobicContact CE1-CG 4.29Å; D336-P357 WeakPolarHBondContact OD2-CD 3.39Å; D336-P357 WeakPolarHBondContact OD2-CG 3.45Å; P357-Q370 WeakPolarHBondContact O-CB 3.47Å; P357-Q370 PolarHBondContact O-N 2.98Å; P357-M372 HydrophobicContact CB-CB 4.27Å; P357-M372 HydrophobicContact CG-CB 4.19Å; P357-F373 HydrophobicContact CB-CB 3.97Å; P357-L376 HydrophobicContact CB-CD1 4.26Å; P357-L376 HydrophobicContact CG-CD1 3.6Å |
| 358 | I | 90.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 126.3 | 177.6 | -61.8 | 176.8 | 0 | 0 | 0 | 109.8 | T60 N64 A340 L341 S356 V360 F367 Y368 F373 | T60-I358 HydrophobicContact CG2-CD1 3.55Å; T60-I358 HydrophobicContact CG2-CG2 4.27Å; N64-I358 WeakPolarHBondContact ND2-CD1 3.49Å; A340-I358 CarbonylContact C-O 3.57Å; A340-I358 WeakPolarHBondContact CA-O 3.38Å; A340-I358 HydrophobicContact CB-CB 4.08Å; A340-I358 HydrophobicContact CB-CG2 4.06Å; L341-I358 PolarHBondContact N-O 3.46Å; S356-I358 PolarHBondContact O-N 2.92Å; S356-I358 PolarHBondContact OG-N 2.89Å; S356-I358 PolarHBondContact OG-O 2.89Å; I358-V360 HydrophobicContact CG2-CG2 4.2Å; I358-F367 HydrophobicContact CG2-CB 3.99Å; I358-F367 HydrophobicContact CG2-CD2 3.94Å; I358-F367 HydrophobicContact CG2-CG 4.34Å; I358-Y368 WeakPolarHBondContact CA-O 3.16Å; I358-F373 HydrophobicContact CD1-CD2 3.85Å; I358-F373 HydrophobicContact CD1-CE2 3.96Å; I358-F373 HydrophobicContact CG1-CD2 3.88Å; I358-F373 HydrophobicContact CG1-CE2 4.47Å |
| 359 | I | 90.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 121.9 | 175.9 | -58.1 | -59.5 | 0 | 0 | 0 | 109.7 | V308 L310 L341 P343 F367 Y368 Q370 | V308-I359 HydrophobicContact CB-CD1 4.46Å; V308-I359 HydrophobicContact CG1-CD1 3.75Å; V308-I359 HydrophobicContact CG1-CG1 3.8Å; V308-I359 HydrophobicContact CG1-CG2 4.42Å; V308-I359 HydrophobicContact CG2-CD1 3.79Å; L310-I359 HydrophobicContact CD2-CB 3.9Å; L310-I359 HydrophobicContact CD2-CG1 3.89Å; L310-I359 HydrophobicContact CD2-CG2 4.05Å; L341-I359 HydrophobicContact CB-CD1 4.33Å; L341-I359 CarbonylContact O-C 3.46Å; L341-I359 VanDerWaalsContact O-CA 3.27Å; L341-I359 WeakPolarHBondContact O-CA 3.46Å; P343-I359 HydrophobicContact CB-CG2 4.2Å; P343-I359 HydrophobicContact CG-CG2 3.96Å; I359-F367 CarbonylContact O-C 3.36Å; I359-F367 VanDerWaalsContact O-CA 3.22Å; I359-F367 WeakPolarHBondContact O-CA 2.88Å; I359-Y368 HydrophobicContact CB-CD2 4.27Å; I359-Y368 HydrophobicContact CG2-CD2 4.25Å; I359-Y368 PolarHBondContact N-O 2.92Å; I359-Y368 WeakPolarHBondContact O-CD2 3.37Å; I359-Y368 PolarHBondContact O-N 3.12Å; I359-Q370 HydrophobicContact CG1-CG 4.05Å |
| 360 | V | 86.6 | Confident | 89.8 | Confident | 12 Ų | 12 | 47.9 Ų | 47.9 | 7% | 0.073 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 120.4 | -177 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | L31 A340 L341 P343 I358 I362 F367 | L31-V360 HydrophobicContact CD1-CB 3.5Å; L31-V360 HydrophobicContact CD1-CG1 4.01Å; L31-V360 HydrophobicContact CD1-CG2 3.52Å; L31-V360 HydrophobicContact CD2-CB 4.07Å; L31-V360 HydrophobicContact CD2-CG1 4.34Å; L31-V360 HydrophobicContact CG-CB 4.43Å; A340-V360 HydrophobicContact CB-CG2 3.99Å; L341-V360 PolarHBondContact O-N 3.08Å; P343-V360 WeakPolarHBondContact CD-O 3.29Å; I358-V360 HydrophobicContact CG2-CG2 4.2Å; V360-I362 HydrophobicContact CG1-CG1 4.17Å; V360-F367 HydrophobicContact CG2-CB 4.01Å |
| 361 | D | 87.4 | Confident | 90.1 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 9% | 0.086 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 93.3 | 171.6 | -174.2 | -11.7 | 0 | 0 | 0 | 109.1 | P343 T363 K364 D365 T366 Y368 | P343-D361 HydrophobicContact CG-CB 4.44Å; D361-T363 PolarHBondContact O-N 3.08Å; D361-T363 PolarHBondContact OD1-N 2.97Å; D361-T363 PolarHBondContact OD1-OG1 3.34Å; D361-K364 PolarHBondContact O-N 3.24Å; D361-K364 VanDerWaalsContact O-N 3.16Å; D361-K364 WeakPolarHBondContact OD2-CD 3.31Å; D361-K364 WeakPolarHBondContact OD2-CE 3.37Å; D361-K364 IonicContact OD2-NZ 3.25Å; D361-K364 PolarHBondContact OD2-NZ 3.03Å; D361-D365 PolarHBondContact O-N 3.04Å; D361-T366 PolarHBondContact N-O 2.62Å; D361-T366 PolarHBondContact O-N 3.04Å; D361-Y368 HydrophobicContact CB-CE2 3.87Å |
| 362 | I | 83.2 | Confident | 90.2 | Very high | 71 Ų | 71 | 37.1 Ų | 37.1 | 36% | 0.364 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -60.1 | -33.3 | -178.4 | -59.5 | 172.8 | 0 | 0 | 0 | 110.9 | L31 V360 K364 D365 | L31-I362 HydrophobicContact CB-CD1 4.21Å; L31-I362 HydrophobicContact CD2-CD1 3.68Å; L31-I362 HydrophobicContact CD2-CG1 4.05Å; V360-I362 HydrophobicContact CG1-CG1 4.17Å; I362-K364 PolarHBondContact O-N 3.26Å; I362-D365 PolarHBondContact O-N 3.5Å |
| 363 | T | 84.8 | Confident | 90.4 | Very high | 127 Ų | 127 | 34.6 Ų | 34.6 | 78% | 0.779 | 17% | 0.174 | S | C | * | . | G | 310 helix | trans | -66.7 | -21.6 | -177.9 | 72.2 | 0 | 0 | 0 | 0 | 113 | D361 | D361-T363 PolarHBondContact O-N 3.08Å; D361-T363 PolarHBondContact OD1-N 2.97Å; D361-T363 PolarHBondContact OD1-OG1 3.34Å |
| 364 | K | 86 | Confident | 90.6 | Very high | 127 Ų | 127 | 38.5 Ų | 38.5 | 55% | 0.552 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -113.4 | 6.1 | 179.8 | -58.7 | -171 | -169.7 | 114.4 | 0 | 113.6 | D361 I362 T366 | D361-K364 PolarHBondContact O-N 3.24Å; D361-K364 VanDerWaalsContact O-N 3.16Å; D361-K364 WeakPolarHBondContact OD2-CD 3.31Å; D361-K364 WeakPolarHBondContact OD2-CE 3.37Å; D361-K364 IonicContact OD2-NZ 3.25Å; D361-K364 PolarHBondContact OD2-NZ 3.03Å; I362-K364 PolarHBondContact O-N 3.26Å; K364-T366 PolarHBondContact O-N 2.84Å; K364-T366 VanDerWaalsContact O-N 3.11Å; K364-T366 PolarHBondContact O-OG1 2.99Å |
| 365 | D | 83.3 | Confident | 90.8 | Very high | 64 Ų | 64 | 38.4 Ų | 38.4 | 34% | 0.342 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 44.6 | 42.7 | -170.6 | -174.3 | 28 | 0 | 0 | 0 | 112.7 | R59 D361 I362 | R59-D365 IonicContact NH2-OD1 3.45Å; R59-D365 PolarHBondContact NH2-OD1 3.28Å; R59-D365 IonicContact NH2-OD2 3.37Å; D361-D365 PolarHBondContact O-N 3.04Å; I362-D365 PolarHBondContact O-N 3.5Å |
| 366 | T | 86.3 | Confident | 90.8 | Very high | 56 Ų | 56 | 38.4 Ų | 38.4 | 34% | 0.344 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 148.6 | -172.1 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | D361 K364 Y368 | D361-T366 PolarHBondContact N-O 2.62Å; D361-T366 PolarHBondContact O-N 3.04Å; K364-T366 PolarHBondContact O-N 2.84Å; K364-T366 VanDerWaalsContact O-N 3.11Å; K364-T366 PolarHBondContact O-OG1 2.99Å; T366-Y368 HydrophobicContact CG2-CD1 4.5Å; T366-Y368 HydrophobicContact CG2-CE1 4.03Å |
| 367 | F | 89.2 | Confident | 90.8 | Very high | 43 Ų | 43 | 38.6 Ų | 38.6 | 19% | 0.189 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147.2 | 168.5 | 67.7 | -84.7 | 0 | 0 | 0 | 110.8 | R59 I358 I359 V360 K369 | R59-F367 HydrophobicContact CB-CD1 4.45Å; R59-F367 HydrophobicContact CB-CE1 3.46Å; R59-F367 VanDerWaalsContact CB-CE1 3.46Å; R59-F367 HydrophobicContact CB-CZ 3.81Å; R59-F367 HydrophobicContact CG-CE1 4.34Å; I358-F367 HydrophobicContact CG2-CB 3.99Å; I358-F367 HydrophobicContact CG2-CD2 3.94Å; I358-F367 HydrophobicContact CG2-CG 4.34Å; I359-F367 CarbonylContact O-C 3.36Å; I359-F367 VanDerWaalsContact O-CA 3.22Å; I359-F367 WeakPolarHBondContact O-CA 2.88Å; V360-F367 HydrophobicContact CG2-CB 4.01Å; F367-K369 HydrophobicContact CD2-CG 4.03Å; F367-K369 HydrophobicContact CE2-CD 3.94Å; F367-K369 HydrophobicContact CE2-CG 3.75Å |
| 368 | Y | 89.8 | Confident | 91.1 | Very high | 76 Ų | 76 | 40.6 Ų | 40.6 | 30% | 0.298 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 119.9 | 178.7 | -50.2 | -73.1 | 0 | 0 | 0 | 109 | L310 I358 I359 D361 T366 Q370 | L310-Y368 HydrophobicContact CD1-CD2 4.43Å; L310-Y368 HydrophobicContact CD2-CD2 4.03Å; L310-Y368 HydrophobicContact CD2-CG 4.26Å; I358-Y368 WeakPolarHBondContact CA-O 3.16Å; I359-Y368 HydrophobicContact CB-CD2 4.27Å; I359-Y368 HydrophobicContact CG2-CD2 4.25Å; I359-Y368 PolarHBondContact N-O 2.92Å; I359-Y368 WeakPolarHBondContact O-CD2 3.37Å; I359-Y368 PolarHBondContact O-N 3.12Å; D361-Y368 HydrophobicContact CB-CE2 3.87Å; T366-Y368 HydrophobicContact CG2-CD1 4.5Å; T366-Y368 HydrophobicContact CG2-CE1 4.03Å; Y368-Q370 PolarHBondContact O-N 2.86Å |
| 369 | K | 93.8 | Very high | 91.4 | Very high | 73 Ų | 73 | 40.6 Ų | 40.6 | 32% | 0.317 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 111.7 | 171.4 | -65.7 | 169.8 | 57.4 | 176.8 | 0 | 108.6 | F367 F373 Y374 | F367-K369 HydrophobicContact CD2-CG 4.03Å; F367-K369 HydrophobicContact CE2-CD 3.94Å; F367-K369 HydrophobicContact CE2-CG 3.75Å; K369-F373 HydrophobicContact CB-CB 4.45Å; K369-F373 HydrophobicContact CB-CD1 4.43Å; K369-F373 HydrophobicContact CB-CG 4.32Å; K369-F373 HydrophobicContact CD-CE1 4.44Å; K369-F373 VanDerWaalsContact CE-CZ 3.47Å; K369-F373 VanDerWaalsContact NZ-CE1 3.32Å; K369-Y374 HydrophobicContact CB-CE2 3.95Å; K369-Y374 WeakPolarHBondContact CE-OH 3.33Å |
| 370 | Q | 94.6 | Very high | 91.3 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 2% | 0.023 | 20% | 0.199 | C | C | . | . | trans | -73.6 | 162.1 | -178.1 | -65.3 | -83.5 | 55.4 | 0 | 0 | 111.4 | R309 D355 S356 P357 I359 Y368 M372 F373 Y374 | R309-Q370 PolarHBondContact O-NE2 2.94Å; D355-Q370 PolarHBondContact OD1-NE2 3.32Å; S356-Q370 WeakPolarHBondContact O-CG 3.49Å; P357-Q370 WeakPolarHBondContact O-CB 3.47Å; P357-Q370 PolarHBondContact O-N 2.98Å; I359-Q370 HydrophobicContact CG1-CG 4.05Å; Y368-Q370 PolarHBondContact O-N 2.86Å; Q370-M372 HydrophobicContact CB-CB 4.49Å; Q370-M372 HydrophobicContact CB-CE 3.93Å; Q370-M372 HydrophobicContact CG-CE 4.11Å; Q370-M372 PolarHBondContact O-N 3.37Å; Q370-M372 VanDerWaalsContact O-N 3.13Å; Q370-F373 VanDerWaalsContact O-CB 3.28Å; Q370-F373 WeakPolarHBondContact O-CB 3.35Å; Q370-F373 PolarHBondContact O-N 2.62Å; Q370-Y374 VanDerWaalsContact O-CD2 3.3Å; Q370-Y374 WeakPolarHBondContact O-CD2 3.45Å | ||
| 371 | P | 98.2 | Very high | 91.5 | Very high | 15 Ų | 15 | 43.1 Ų | 43.1 | 10% | 0.097 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -49.7 | -37 | 169.1 | -30.7 | 38.5 | 0 | 0 | 0 | 113.3 | W313 F373 Y374 H375 | W313-P371 HydrophobicContact CE3-CB 4.03Å; W313-P371 HydrophobicContact CE3-CG 4.36Å; P371-F373 VanDerWaalsContact C-N 3.27Å; P371-F373 PolarHBondContact O-N 2.97Å; P371-Y374 PolarHBondContact O-N 3.47Å; P371-H375 PolarHBondContact O-CD2 2.71Å; P371-H375 PolarHBondContact O-N 2.97Å |
| 372 | M | 96.1 | Very high | 91.8 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -52.8 | -41 | 174.9 | -63.5 | 176.9 | -71.2 | 0 | 0 | 113.2 | V299 R315 Y319 D355 S356 P357 Q370 Y374 H375 L376 | V299-M372 HydrophobicContact CG2-CE 4.38Å; V299-M372 HydrophobicContact CG2-SD 3.45Å; V299-M372 WeakPolarHBondContact CG2-SD 3.13Å; R315-M372 HydrophobicContact CB-CG 3.86Å; R315-M372 HydrophobicContact CB-SD 3.84Å; Y319-M372 HydrophobicContact CD1-CB 4.38Å; Y319-M372 HydrophobicContact CD2-CB 4.37Å; Y319-M372 HydrophobicContact CD2-CG 3.84Å; Y319-M372 HydrophobicContact CD2-SD 3.92Å; Y319-M372 HydrophobicContact CE1-CB 4.43Å; Y319-M372 HydrophobicContact CE2-CB 4.42Å; Y319-M372 HydrophobicContact CE2-CG 3.89Å; Y319-M372 HydrophobicContact CE2-SD 3.35Å; Y319-M372 WeakPolarHBondContact CE2-SD 3.25Å; Y319-M372 HydrophobicContact CG-CB 4.34Å; Y319-M372 HydrophobicContact CG-CG 4.26Å; D355-M372 HydrophobicContact CB-CE 3.84Å; D355-M372 WeakPolarHBondContact OD1-CE 3.38Å; S356-M372 VanDerWaalsContact O-CE 3.25Å; S356-M372 WeakPolarHBondContact O-CE 3.05Å; P357-M372 HydrophobicContact CB-CB 4.27Å; P357-M372 HydrophobicContact CG-CB 4.19Å; Q370-M372 HydrophobicContact CB-CB 4.49Å; Q370-M372 HydrophobicContact CB-CE 3.93Å; Q370-M372 HydrophobicContact CG-CE 4.11Å; Q370-M372 PolarHBondContact O-N 3.37Å; Q370-M372 VanDerWaalsContact O-N 3.13Å; M372-Y374 VanDerWaalsContact C-N 3.33Å; M372-Y374 PolarHBondContact O-N 3.36Å; M372-H375 PolarHBondContact O-N 3.07Å; M372-L376 WeakPolarHBondContact O-CB 3.25Å; M372-L376 WeakPolarHBondContact O-CD1 3.4Å; M372-L376 WeakPolarHBondContact O-CG 3.38Å; M372-L376 PolarHBondContact O-N 3.43Å |
| 373 | F | 94 | Very high | 92.4 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.013 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.4 | -45.5 | 176.9 | 175.7 | -79.6 | 0 | 0 | 0 | 111.5 | A63 N64 I70 P357 I358 K369 Q370 P371 G377 | A63-F373 HydrophobicContact CB-CE2 4.13Å; A63-F373 HydrophobicContact CB-CZ 4.04Å; A63-F373 WeakPolarHBondContact O-CZ 3.17Å; N64-F373 WeakPolarHBondContact OD1-CE2 3.19Å; I70-F373 HydrophobicContact CB-CZ 4.32Å; I70-F373 HydrophobicContact CD1-CD1 4.43Å; I70-F373 HydrophobicContact CD1-CD2 3.89Å; I70-F373 HydrophobicContact CD1-CE1 4.1Å; I70-F373 HydrophobicContact CD1-CE2 3.59Å; I70-F373 HydrophobicContact CD1-CG 4.31Å; I70-F373 HydrophobicContact CD1-CZ 3.68Å; I70-F373 HydrophobicContact CG1-CE1 4.4Å; I70-F373 HydrophobicContact CG1-CE2 4.06Å; I70-F373 HydrophobicContact CG1-CZ 3.8Å; I70-F373 HydrophobicContact CG2-CD1 4.33Å; I70-F373 HydrophobicContact CG2-CE1 3.45Å; I70-F373 VanDerWaalsContact CG2-CE1 3.45Å; I70-F373 HydrophobicContact CG2-CZ 3.63Å; P357-F373 HydrophobicContact CB-CB 3.97Å; I358-F373 HydrophobicContact CD1-CD2 3.85Å; I358-F373 HydrophobicContact CD1-CE2 3.96Å; I358-F373 HydrophobicContact CG1-CD2 3.88Å; I358-F373 HydrophobicContact CG1-CE2 4.47Å; K369-F373 HydrophobicContact CB-CB 4.45Å; K369-F373 HydrophobicContact CB-CD1 4.43Å; K369-F373 HydrophobicContact CB-CG 4.32Å; K369-F373 HydrophobicContact CD-CE1 4.44Å; K369-F373 VanDerWaalsContact CE-CZ 3.47Å; K369-F373 VanDerWaalsContact NZ-CE1 3.32Å; Q370-F373 VanDerWaalsContact O-CB 3.28Å; Q370-F373 WeakPolarHBondContact O-CB 3.35Å; Q370-F373 PolarHBondContact O-N 2.62Å; P371-F373 VanDerWaalsContact C-N 3.27Å; P371-F373 PolarHBondContact O-N 2.97Å; F373-G377 PolarHBondContact O-N 2.58Å |
| 374 | Y | 96.6 | Very high | 92.6 | Very high | 115 Ų | 115 | 37.4 Ų | 37.4 | 45% | 0.451 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -72.6 | -42.2 | -178.4 | -59.9 | -81.1 | 0 | 0 | 0 | 111.2 | K369 Q370 P371 M372 L376 G377 H378 | K369-Y374 HydrophobicContact CB-CE2 3.95Å; K369-Y374 WeakPolarHBondContact CE-OH 3.33Å; Q370-Y374 VanDerWaalsContact O-CD2 3.3Å; Q370-Y374 WeakPolarHBondContact O-CD2 3.45Å; P371-Y374 PolarHBondContact O-N 3.47Å; M372-Y374 VanDerWaalsContact C-N 3.33Å; M372-Y374 PolarHBondContact O-N 3.36Å; Y374-L376 VanDerWaalsContact C-N 3.3Å; Y374-L376 PolarHBondContact O-N 3.11Å; Y374-G377 CarbonylContact O-C 3.51Å; Y374-G377 WeakPolarHBondContact O-CA 3.16Å; Y374-G377 PolarHBondContact O-N 2.96Å; Y374-H378 PolarHBondContact O-CD2 2.99Å; Y374-H378 VanDerWaalsContact O-CD2 3.24Å; Y374-H378 PolarHBondContact O-N 3.26Å |
| 375 | H | 98 | Very high | 92.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.8 | -39.1 | 174.7 | -82 | -103.6 | 0 | 0 | 0 | 112 | W313 G316 S320 P371 M372 F379 | W313-H375 AromaticContact CE2-NE2 3.69Å; W313-H375 AromaticContact CH2-NE2 3.62Å; W313-H375 AromaticContact CZ2-NE2 3.49Å; W313-H375 WeakPolarHBondContact CZ2-NE2 3.4Å; W313-H375 AromaticContact CZ3-NE2 3.93Å; G316-H375 VanDerWaalsContact C-ND1 3.29Å; G316-H375 VanDerWaalsContact CA-CD2 3.48Å; G316-H375 WeakPolarHBondContact CA-CD2 3.47Å; G316-H375 WeakPolarHBondContact O-CB 3.15Å; G316-H375 PolarHBondContact O-ND1 2.81Å; G316-H375 VanDerWaalsContact O-ND1 3.08Å; S320-H375 WeakPolarHBondContact CB-ND1 3.44Å; S320-H375 PolarHBondContact OG-ND1 3.31Å; P371-H375 PolarHBondContact O-CD2 2.71Å; P371-H375 PolarHBondContact O-N 2.97Å; M372-H375 PolarHBondContact O-N 3.07Å; H375-F379 WeakPolarHBondContact O-CD2 3.33Å; H375-F379 VanDerWaalsContact O-CE2 3.3Å; H375-F379 WeakPolarHBondContact O-CE2 3.4Å |
| 376 | L | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 169.4 | -80.6 | 159.9 | 0 | 0 | 0 | 112.3 | M21 Y72 Y319 I323 W334 D336 P357 M372 Y374 H378 F379 S380 | M21-L376 HydrophobicContact CE-CD2 3.75Å; M21-L376 WeakPolarHBondContact CE-O 3.47Å; M21-L376 HydrophobicContact SD-CD2 3.36Å; M21-L376 WeakPolarHBondContact SD-CD2 3.19Å; Y72-L376 WeakPolarHBondContact OH-CD1 3.44Å; Y319-L376 HydrophobicContact CD1-CD1 3.53Å; Y319-L376 HydrophobicContact CD1-CD2 4Å; Y319-L376 HydrophobicContact CD1-CG 3.67Å; Y319-L376 HydrophobicContact CE1-CD1 3.62Å; Y319-L376 HydrophobicContact CE1-CG 4.27Å; I323-L376 HydrophobicContact CD1-CD2 3.89Å; W334-L376 HydrophobicContact CE3-CD2 3.91Å; W334-L376 HydrophobicContact CH2-CD2 4.44Å; W334-L376 HydrophobicContact CZ3-CD2 3.6Å; D336-L376 HydrophobicContact CB-CD1 4.42Å; P357-L376 HydrophobicContact CB-CD1 4.26Å; P357-L376 HydrophobicContact CG-CD1 3.6Å; M372-L376 WeakPolarHBondContact O-CB 3.25Å; M372-L376 WeakPolarHBondContact O-CD1 3.4Å; M372-L376 WeakPolarHBondContact O-CG 3.38Å; M372-L376 PolarHBondContact O-N 3.43Å; Y374-L376 VanDerWaalsContact C-N 3.3Å; Y374-L376 PolarHBondContact O-N 3.11Å; L376-H378 VanDerWaalsContact C-N 3.29Å; L376-H378 PolarHBondContact O-N 3.18Å; L376-F379 PolarHBondContact O-N 2.99Å; L376-S380 PolarHBondContact O-N 3.48Å; L376-S380 PolarHBondContact O-OG 3.09Å |
| 377 | G | 92.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 30.8 Ų | 30.8 | 5% | 0.052 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.1 | -33.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | F373 Y374 F379 S380 K381 | F373-G377 PolarHBondContact O-N 2.58Å; Y374-G377 CarbonylContact O-C 3.51Å; Y374-G377 WeakPolarHBondContact O-CA 3.16Å; Y374-G377 PolarHBondContact O-N 2.96Å; G377-F379 PolarHBondContact O-N 3.43Å; G377-S380 WeakPolarHBondContact CA-OG 3.5Å; G377-K381 WeakPolarHBondContact O-CB 3.49Å; G377-K381 PolarHBondContact O-N 3.03Å |
| 378 | H | 97.2 | Very high | 93.5 | Very high | 43 Ų | 43 | 32.7 Ų | 32.7 | 20% | 0.199 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.8 | -14.8 | 176.9 | -88.4 | -84.3 | 0 | 0 | 0 | 114.4 | Y374 L376 V415 I445 T447 | Y374-H378 PolarHBondContact O-CD2 2.99Å; Y374-H378 VanDerWaalsContact O-CD2 3.24Å; Y374-H378 PolarHBondContact O-N 3.26Å; L376-H378 VanDerWaalsContact C-N 3.29Å; L376-H378 PolarHBondContact O-N 3.18Å; H378-V415 HydrophobicContact CB-CG1 4.48Å; H378-I445 HydrophobicContact CB-CD1 3.65Å; H378-I445 HydrophobicContact CB-CG1 4.05Å; H378-I445 PolarHBondContact CE1-O 3.11Å; H378-I445 PolarHBondContact NE2-O 3.39Å; H378-T447 WeakPolarHBondContact CB-OG1 3.49Å; H378-T447 PolarHBondContact ND1-OG1 3.21Å; H378-T447 PolarHBondContact O-OG1 2.59Å |
| 379 | F | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -116.4 | -55.7 | 177.5 | -56.1 | -94 | 0 | 0 | 0 | 111.1 | I20 M21 I323 I324 L327 H375 L376 G377 K381 F382 I383 V403 V415 I445 | I20-F379 HydrophobicContact CG2-CB 4.03Å; M21-F379 HydrophobicContact CE-CB 3.23Å; M21-F379 HydrophobicContact CE-CD2 3.81Å; M21-F379 HydrophobicContact CE-CG 3.77Å; I323-F379 HydrophobicContact CB-CD2 4.46Å; I323-F379 HydrophobicContact CB-CE1 4.33Å; I323-F379 HydrophobicContact CB-CE2 4.25Å; I323-F379 HydrophobicContact CB-CZ 4.17Å; I323-F379 HydrophobicContact CD1-CD2 3.94Å; I323-F379 HydrophobicContact CD1-CE2 4.02Å; I323-F379 HydrophobicContact CG2-CB 4.42Å; I323-F379 HydrophobicContact CG2-CD1 3.57Å; I323-F379 HydrophobicContact CG2-CD2 4.04Å; I323-F379 HydrophobicContact CG2-CE1 3.71Å; I323-F379 HydrophobicContact CG2-CE2 4.18Å; I323-F379 HydrophobicContact CG2-CG 3.76Å; I323-F379 HydrophobicContact CG2-CZ 4.03Å; I324-F379 HydrophobicContact CD1-CE1 4.45Å; I324-F379 HydrophobicContact CD1-CZ 4.05Å; I324-F379 HydrophobicContact CG1-CE1 3.72Å; I324-F379 HydrophobicContact CG1-CZ 3.68Å; L327-F379 HydrophobicContact CD1-CD1 4.22Å; L327-F379 HydrophobicContact CD1-CE1 4.47Å; H375-F379 WeakPolarHBondContact O-CD2 3.33Å; H375-F379 VanDerWaalsContact O-CE2 3.3Å; H375-F379 WeakPolarHBondContact O-CE2 3.4Å; L376-F379 PolarHBondContact O-N 2.99Å; G377-F379 PolarHBondContact O-N 3.43Å; F379-K381 VanDerWaalsContact C-N 3.3Å; F379-K381 PolarHBondContact O-N 2.64Å; F379-F382 PolarHBondContact O-N 2.91Å; F379-F382 VanDerWaalsContact O-N 3.11Å; F379-I383 HydrophobicContact CB-CD1 3.85Å; F379-I383 HydrophobicContact CD1-CD1 3.86Å; F379-I383 HydrophobicContact CG-CD1 4.32Å; F379-I383 WeakPolarHBondContact O-CB 3.32Å; F379-I383 VanDerWaalsContact O-CG1 3.31Å; F379-I383 WeakPolarHBondContact O-CG1 3.3Å; F379-I383 PolarHBondContact O-N 2.9Å; F379-V403 HydrophobicContact CE1-CG1 4.22Å; F379-V415 HydrophobicContact CD1-CB 4.32Å; F379-V415 HydrophobicContact CD1-CG1 4.32Å; F379-V415 HydrophobicContact CD1-CG2 3.88Å; F379-V415 HydrophobicContact CE1-CB 3.83Å; F379-V415 HydrophobicContact CE1-CG1 3.66Å; F379-V415 HydrophobicContact CE1-CG2 3.93Å; F379-V415 HydrophobicContact CE2-CG1 4.23Å; F379-V415 HydrophobicContact CZ-CB 4.29Å; F379-V415 HydrophobicContact CZ-CG1 3.6Å; F379-I445 HydrophobicContact CE2-CD1 3.96Å; F379-I445 HydrophobicContact CZ-CD1 4.35Å |
| 380 | S | 89.9 | Confident | 93.8 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -54.5 | -44.4 | -177.5 | 47.7 | 0 | 0 | 0 | 0 | 112.3 | I70 R126 L376 G377 F382 | I70-S380 CarbonylContact O-C 3.44Å; I70-S380 VanDerWaalsContact O-CB 3.3Å; I70-S380 WeakPolarHBondContact O-CB 3.48Å; I70-S380 PolarHBondContact O-OG 3.39Å; I70-S380 VanDerWaalsContact O-OG 3.09Å; R126-S380 PolarHBondContact NH1-O 2.98Å; L376-S380 PolarHBondContact O-N 3.48Å; L376-S380 PolarHBondContact O-OG 3.09Å; G377-S380 WeakPolarHBondContact CA-OG 3.5Å; S380-F382 VanDerWaalsContact C-N 3.34Å; S380-F382 PolarHBondContact O-N 2.88Å |
| 381 | K | 90.6 | Very high | 93.8 | Very high | 65 Ų | 65 | 31.1 Ų | 31.1 | 28% | 0.283 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -38.9 | -178.4 | -169.8 | 175.6 | -179.5 | 63.5 | 0 | 111.8 | G67 G69 I70 R126 G377 F379 | G67-K381 PolarHBondContact O-NZ 3.29Å; G69-K381 PolarHBondContact O-NZ 2.92Å; I70-K381 WeakPolarHBondContact O-CA 3.35Å; I70-K381 PolarHBondContact O-N 3.19Å; R126-K381 PolarHBondContact NH2-O 2.73Å; G377-K381 WeakPolarHBondContact O-CB 3.49Å; G377-K381 PolarHBondContact O-N 3.03Å; F379-K381 VanDerWaalsContact C-N 3.3Å; F379-K381 PolarHBondContact O-N 2.64Å |
| 382 | F | 94.6 | Very high | 93.6 | Very high | 60 Ų | 60 | 32.3 Ų | 32.3 | 26% | 0.263 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -3 | -163.3 | -60.7 | -59.5 | 0 | 0 | 0 | 114.4 | F379 S380 H407 V413 T447 L449 | F379-F382 PolarHBondContact O-N 2.91Å; F379-F382 VanDerWaalsContact O-N 3.11Å; S380-F382 VanDerWaalsContact C-N 3.34Å; S380-F382 PolarHBondContact O-N 2.88Å; F382-H407 PolarHBondContact O-CE1 2.97Å; F382-H407 PolarHBondContact O-NE2 3.49Å; F382-V413 HydrophobicContact CB-CG2 4.28Å; F382-T447 HydrophobicContact CB-CG2 3.69Å; F382-T447 HydrophobicContact CD2-CG2 3.63Å; F382-T447 HydrophobicContact CE2-CG2 4.43Å; F382-T447 HydrophobicContact CG-CG2 3.8Å; F382-L449 HydrophobicContact CB-CD1 4.41Å; F382-L449 HydrophobicContact CD1-CD1 3.51Å; F382-L449 HydrophobicContact CE1-CD1 4Å; F382-L449 HydrophobicContact CG-CD1 4.17Å |
| 383 | I | 94.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -129.4 | 89.3 | -179.1 | -42.2 | 166.1 | 0 | 0 | 0 | 108.3 | I20 F379 S387 L405 V413 V415 | I20-I383 WeakPolarHBondContact CB-O 3.42Å; I20-I383 HydrophobicContact CD1-CB 3.28Å; I20-I383 HydrophobicContact CD1-CD1 3.84Å; I20-I383 HydrophobicContact CD1-CG1 4.17Å; I20-I383 HydrophobicContact CD1-CG2 3.07Å; I20-I383 HydrophobicContact CG1-CB 4.47Å; I20-I383 HydrophobicContact CG1-CG2 4.45Å; I20-I383 HydrophobicContact CG2-CB 4.48Å; F379-I383 HydrophobicContact CB-CD1 3.85Å; F379-I383 HydrophobicContact CD1-CD1 3.86Å; F379-I383 HydrophobicContact CG-CD1 4.32Å; F379-I383 WeakPolarHBondContact O-CB 3.32Å; F379-I383 VanDerWaalsContact O-CG1 3.31Å; F379-I383 WeakPolarHBondContact O-CG1 3.3Å; F379-I383 PolarHBondContact O-N 2.9Å; I383-S387 VanDerWaalsContact CG2-CB 3.48Å; I383-S387 WeakPolarHBondContact CG2-OG 3.42Å; I383-L405 HydrophobicContact CD1-CD1 3.8Å; I383-L405 HydrophobicContact CG1-CD1 4.43Å; I383-L405 HydrophobicContact CG2-CB 4.38Å; I383-L405 HydrophobicContact CG2-CD1 4.33Å; I383-L405 HydrophobicContact CG2-CD2 3.85Å; I383-L405 HydrophobicContact CG2-CG 4.4Å; I383-V413 HydrophobicContact CG1-CG1 4.07Å; I383-V413 HydrophobicContact CG1-CG2 4.16Å; I383-V413 HydrophobicContact CG2-CG1 4.28Å; I383-V415 HydrophobicContact CD1-CG2 4.34Å |
| 384 | P | 89.5 | Confident | 93.7 | Very high | 33 Ų | 33 | 38.6 Ų | 38.6 | 21% | 0.214 | 20% | 0.203 | C | C | . | . | trans | -69.8 | 162.4 | -178 | 30.2 | -35.5 | 0 | 0 | 0 | 112.2 | G386 S387 | P384-G386 PolarHBondContact O-N 3.49Å; P384-S387 WeakPolarHBondContact CD-OG 3.31Å; P384-S387 VanDerWaalsContact O-CB 3.32Å; P384-S387 WeakPolarHBondContact O-CB 3.43Å; P384-S387 PolarHBondContact O-N 2.89Å; P384-S387 VanDerWaalsContact O-N 3.15Å; P384-S387 PolarHBondContact O-OG 3.32Å | ||
| 385 | E | 89.1 | Confident | 93.7 | Very high | 84 Ų | 84 | 38.4 Ų | 38.4 | 39% | 0.393 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 137.1 | 173.2 | -177.4 | 176.5 | -179.7 | 0 | 0 | 111.9 | V18 S387 | V18-E385 WeakPolarHBondContact O-CA 3.26Å; E385-S387 VanDerWaalsContact C-N 3.32Å |
| 386 | G | 88.9 | Confident | 93.5 | Very high | 25 Ų | 25 | 45.4 Ų | 45.4 | 26% | 0.258 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | -3.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | V18 P384 | V18-G386 PolarHBondContact O-N 3.36Å; P384-G386 PolarHBondContact O-N 3.49Å |
| 387 | S | 93.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -60 | 148.7 | 168.6 | -60 | 0 | 0 | 0 | 0 | 110.6 | V18 I383 P384 E385 M406 H407 | V18-S387 VanDerWaalsContact CB-O 3.23Å; V18-S387 WeakPolarHBondContact CB-O 3.19Å; V18-S387 VanDerWaalsContact CG2-O 3.29Å; V18-S387 WeakPolarHBondContact CG2-O 3.05Å; V18-S387 PolarHBondContact N-O 3.28Å; I383-S387 VanDerWaalsContact CG2-CB 3.48Å; I383-S387 WeakPolarHBondContact CG2-OG 3.42Å; P384-S387 WeakPolarHBondContact CD-OG 3.31Å; P384-S387 VanDerWaalsContact O-CB 3.32Å; P384-S387 WeakPolarHBondContact O-CB 3.43Å; P384-S387 PolarHBondContact O-N 2.89Å; P384-S387 VanDerWaalsContact O-N 3.15Å; P384-S387 PolarHBondContact O-OG 3.32Å; E385-S387 VanDerWaalsContact C-N 3.32Å; S387-M406 CarbonylContact C-O 3.46Å; S387-M406 WeakPolarHBondContact CA-O 3.38Å; S387-M406 WeakPolarHBondContact CB-O 3.33Å; S387-H407 PolarHBondContact OG-CD2 2.65Å |
| 388 | Q | 93 | Very high | 93.6 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 39% | 0.388 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.1 | -177.8 | -171.5 | 176.3 | 24.9 | 0 | 0 | 110.3 | P14 L405 M406 | P14-Q388 VanDerWaalsContact CG-NE2 3.3Å; Q388-L405 CarbonylContact O-C 3.59Å; Q388-L405 WeakPolarHBondContact O-CA 3.19Å; Q388-L405 WeakPolarHBondContact O-CB 3.48Å; Q388-M406 PolarHBondContact N-O 3.04Å; Q388-M406 PolarHBondContact O-N 3.42Å |
| 389 | R | 95.6 | Very high | 93.6 | Very high | 88 Ų | 88 | 60.8 Ų | 60.8 | 33% | 0.332 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 134.7 | 172.7 | -172.5 | -154.6 | 71.6 | 96.4 | -0.5 | 110.4 | L327 V403 A404 L405 | L327-R389 WeakPolarHBondContact O-CD 3.43Å; R389-V403 HydrophobicContact CG-CG2 4.09Å; R389-A404 WeakPolarHBondContact CA-O 3.19Å; R389-L405 HydrophobicContact CB-CD2 4.24Å; R389-L405 HydrophobicContact CB-CG 4.33Å |
| 390 | V | 93.9 | Very high | 93.6 | Very high | 11 Ų | 11 | 61.7 Ų | 61.7 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 175 | 177.8 | -63 | 0 | 0 | 0 | 0 | 111.5 | F3 A404 M406 | F3-V390 HydrophobicContact CD1-CG2 4.31Å; F3-V390 HydrophobicContact CD2-CG2 4.41Å; F3-V390 HydrophobicContact CE1-CG2 3.61Å; F3-V390 HydrophobicContact CE2-CG2 3.75Å; F3-V390 HydrophobicContact CZ-CG2 3.31Å; V390-A404 HydrophobicContact CG2-CB 3.96Å; V390-A404 PolarHBondContact N-O 3.21Å; V390-M406 HydrophobicContact CG1-CB 4.47Å; V390-M406 HydrophobicContact CG1-CG 3.93Å; V390-M406 HydrophobicContact CG1-SD 4.12Å; V390-M406 HydrophobicContact CG2-CG 4.32Å |
| 391 | G | 94.1 | Very high | 94 | Very high | 22 Ų | 22 | 63.1 Ų | 63.1 | 23% | 0.227 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 135.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S4 | S4-G391 PolarHBondContact N-O 3.44Å; S4-G391 WeakPolarHBondContact OG-CA 3.5Å |
| 392 | L | 95.3 | Very high | 94.4 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 21% | 0.209 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 107.7 | 171.1 | -174.7 | 66 | 0 | 0 | 0 | 108.4 | M1 E2 A402 A404 V414 | M1-L392 HydrophobicContact CB-CD1 3.64Å; M1-L392 HydrophobicContact CB-CG 4Å; M1-L392 HydrophobicContact SD-CD2 3.8Å; M1-L392 HydrophobicContact SD-CG 4.2Å; E2-L392 WeakPolarHBondContact O-CA 3.39Å; L392-A402 HydrophobicContact CD2-CB 3.82Å; L392-A404 HydrophobicContact CB-CB 3.82Å; L392-A404 HydrophobicContact CD1-CB 4.34Å; L392-A404 HydrophobicContact CD2-CB 4.14Å; L392-A404 HydrophobicContact CG-CB 4.33Å; L392-V414 HydrophobicContact CD2-CG1 4.1Å |
| 393 | V | 96.1 | Very high | 94.6 | Very high | 89 Ų | 89 | 58 Ų | 58 | 54% | 0.539 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128 | -174.2 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | M1 E2 | M1-V393 CarbonylContact C-O 3.58Å; M1-V393 WeakPolarHBondContact CA-O 3.34Å; E2-V393 PolarHBondContact N-O 3.38Å; E2-V393 PolarHBondContact O-N 2.84Å |
| 394 | A | 95.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 58 Ų | 58 | 38% | 0.38 | 32% | 0.318 | S | S | . | . | trans | -81.2 | 135.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q396 N398 | A394-Q396 WeakPolarHBondContact CB-O 3.42Å; A394-Q396 PolarHBondContact O-N 3.37Å; A394-N398 WeakPolarHBondContact CB-ND2 3.4Å | ||
| 395 | S | 95.1 | Very high | 95.1 | Very high | 111 Ų | 111 | 56.5 Ų | 56.5 | 78% | 0.776 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -69.1 | -21.3 | 176.7 | 50.2 | 0 | 0 | 0 | 0 | 113 | ||
| 396 | Q | 93.8 | Very high | 95.4 | Very high | 147 Ų | 147 | 54.3 Ų | 54.3 | 69% | 0.687 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -153.8 | 163.7 | -179.5 | 62.1 | -173.4 | 65.3 | 0 | 0 | 110.7 | A394 N398 | A394-Q396 WeakPolarHBondContact CB-O 3.42Å; A394-Q396 PolarHBondContact O-N 3.37Å; Q396-N398 PolarHBondContact O-N 2.71Å; Q396-N398 PolarHBondContact O-ND2 3.06Å |
| 397 | K | 94.6 | Very high | 95.7 | Very high | 195 Ų | 195 | 54.5 Ų | 54.5 | 85% | 0.848 | 29% | 0.292 | S | S | * | . | trans | -59.2 | 135.6 | 171 | -172.1 | 179 | 178.9 | -176 | 0 | 110 | ||||
| 398 | N | 95.6 | Very high | 95.7 | Very high | 59 Ų | 59 | 58.9 Ų | 58.9 | 32% | 0.316 | 32% | 0.321 | S | S | . | . | trans | -153.8 | 168.9 | 178.8 | 64.8 | 89.6 | 0 | 0 | 0 | 109.6 | A394 Q396 L400 | A394-N398 WeakPolarHBondContact CB-ND2 3.4Å; Q396-N398 PolarHBondContact O-N 2.71Å; Q396-N398 PolarHBondContact O-ND2 3.06Å; N398-L400 VanDerWaalsContact OD1-CB 3.29Å; N398-L400 WeakPolarHBondContact OD1-CB 3.41Å; N398-L400 PolarHBondContact OD1-N 2.88Å; N398-L400 VanDerWaalsContact OD1-N 3.09Å | ||
| 399 | D | 95.4 | Very high | 95.8 | Very high | 118 Ų | 118 | 60.6 Ų | 60.6 | 63% | 0.631 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -100.3 | 15.1 | -175.8 | -58.6 | -36.6 | 0 | 0 | 0 | 112.9 | ||
| 400 | L | 98 | Very high | 95.8 | Very high | 19 Ų | 19 | 57.5 Ų | 57.5 | 10% | 0.099 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 138.6 | 178.6 | -55.2 | 177.5 | 0 | 0 | 0 | 110.6 | M1 N398 V416 N418 V424 | M1-L400 HydrophobicContact CE-CB 4.14Å; M1-L400 HydrophobicContact CE-CD1 3.79Å; N398-L400 VanDerWaalsContact OD1-CB 3.29Å; N398-L400 WeakPolarHBondContact OD1-CB 3.41Å; N398-L400 PolarHBondContact OD1-N 2.88Å; N398-L400 VanDerWaalsContact OD1-N 3.09Å; L400-V416 HydrophobicContact CB-CG1 4.31Å; L400-V416 HydrophobicContact CD1-CG1 4.03Å; L400-N418 HydrophobicContact CD2-CB 3.53Å; L400-V424 HydrophobicContact CD1-CB 4.32Å; L400-V424 HydrophobicContact CD1-CG1 3.94Å; L400-V424 HydrophobicContact CD2-CB 4.3Å; L400-V424 HydrophobicContact CD2-CG2 4.19Å; L400-V424 HydrophobicContact CG-CG1 4.41Å |
| 401 | D | 98.4 | Very high | 96 | Very high | 30 Ų | 30 | 57.8 Ų | 57.8 | 16% | 0.16 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 125.1 | 165.5 | -58.8 | -57.4 | 0 | 0 | 0 | 107.7 | H321 I324 L417 R419 | H321-D401 IonicContact CE1-OD1 3.31Å; H321-D401 IonicContact CE1-OD2 3.33Å; H321-D401 IonicContact CG-OD2 2.93Å; H321-D401 IonicContact ND1-OD1 3.98Å; H321-D401 PolarHBondContact ND1-OD1 3.15Å; H321-D401 IonicContact ND1-OD2 3.67Å; H321-D401 PolarHBondContact ND1-OD2 3.2Å; I324-D401 HydrophobicContact CD1-CB 3.78Å; I324-D401 HydrophobicContact CG2-CB 4.11Å; D401-L417 HydrophobicContact CB-CB 4.23Å; D401-L417 HydrophobicContact CB-CD2 4.33Å; D401-L417 PolarHBondContact N-O 3.02Å; D401-L417 PolarHBondContact O-N 3.49Å; D401-R419 IonicContact OD1-NH2 3.54Å; D401-R419 IonicContact OD2-CZ 2.68Å; D401-R419 IonicContact OD2-NE 3.85Å; D401-R419 PolarHBondContact OD2-NE 2.99Å; D401-R419 IonicContact OD2-NH2 2.63Å; D401-R419 PolarHBondContact OD2-NH2 3.05Å |
| 402 | A | 98.4 | Very high | 96.1 | Very high | 17 Ų | 17 | 56.8 Ų | 56.8 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 147.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1 L392 V415 V416 | M1-A402 HydrophobicContact CE-CB 3.87Å; M1-A402 HydrophobicContact SD-CB 3.71Å; L392-A402 HydrophobicContact CD2-CB 3.82Å; A402-V415 VanDerWaalsContact CA-O 3.25Å; A402-V415 WeakPolarHBondContact CA-O 3.39Å; A402-V416 HydrophobicContact CB-CG2 4.23Å |
| 403 | V | 98.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 140.6 | 175.8 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | I324 L327 L328 F379 R389 L405 V414 V415 | I324-V403 HydrophobicContact CG1-CG1 4.08Å; I324-V403 HydrophobicContact CG2-CB 4.36Å; L327-V403 HydrophobicContact CB-CG2 4.05Å; L327-V403 HydrophobicContact CD1-CG1 4.09Å; L327-V403 HydrophobicContact CD1-CG2 4.35Å; L328-V403 HydrophobicContact CD2-CG2 4.3Å; F379-V403 HydrophobicContact CE1-CG1 4.22Å; R389-V403 HydrophobicContact CG-CG2 4.09Å; V403-L405 HydrophobicContact CG1-CD1 4.17Å; V403-L405 HydrophobicContact CG2-CD1 4.11Å; V403-V414 WeakPolarHBondContact O-CA 3.21Å; V403-V415 HydrophobicContact CG1-CB 4.17Å; V403-V415 PolarHBondContact N-O 3.41Å; V403-V415 PolarHBondContact O-N 2.75Å |
| 404 | A | 97.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | F3 R389 V390 L392 V413 V414 | F3-A404 HydrophobicContact CD2-CB 3.9Å; F3-A404 HydrophobicContact CE2-CB 3.64Å; R389-A404 WeakPolarHBondContact CA-O 3.19Å; V390-A404 HydrophobicContact CG2-CB 3.96Å; V390-A404 PolarHBondContact N-O 3.21Å; L392-A404 HydrophobicContact CB-CB 3.82Å; L392-A404 HydrophobicContact CD1-CB 4.34Å; L392-A404 HydrophobicContact CD2-CB 4.14Å; L392-A404 HydrophobicContact CG-CB 4.33Å; A404-V413 WeakPolarHBondContact CA-O 3.34Å; A404-V414 HydrophobicContact CB-CG2 3.89Å |
| 405 | L | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 158.8 | 173.8 | -48.5 | 91.4 | 0 | 0 | 0 | 110.5 | V18 I20 I383 Q388 R389 V403 V413 | V18-L405 HydrophobicContact CG1-CD2 4.5Å; V18-L405 HydrophobicContact CG2-CD2 4.43Å; I20-L405 HydrophobicContact CD1-CD2 4.44Å; I383-L405 HydrophobicContact CD1-CD1 3.8Å; I383-L405 HydrophobicContact CG1-CD1 4.43Å; I383-L405 HydrophobicContact CG2-CB 4.38Å; I383-L405 HydrophobicContact CG2-CD1 4.33Å; I383-L405 HydrophobicContact CG2-CD2 3.85Å; I383-L405 HydrophobicContact CG2-CG 4.4Å; Q388-L405 CarbonylContact O-C 3.59Å; Q388-L405 WeakPolarHBondContact O-CA 3.19Å; Q388-L405 WeakPolarHBondContact O-CB 3.48Å; R389-L405 HydrophobicContact CB-CD2 4.24Å; R389-L405 HydrophobicContact CB-CG 4.33Å; V403-L405 HydrophobicContact CG1-CD1 4.17Å; V403-L405 HydrophobicContact CG2-CD1 4.11Å; L405-V413 HydrophobicContact CB-CG1 3.74Å; L405-V413 HydrophobicContact CD1-CG1 4.16Å; L405-V413 PolarHBondContact N-O 2.92Å; L405-V413 PolarHBondContact O-N 3.08Å |
| 406 | M | 96 | Very high | 96.7 | Very high | 39 Ų | 39 | 43.1 Ų | 43.1 | 19% | 0.192 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.4 | 168.6 | -71.4 | -172.8 | 61.8 | 0 | 0 | 109.8 | F3 S387 Q388 V390 S411 | F3-M406 HydrophobicContact CE1-CG 4.07Å; F3-M406 HydrophobicContact CE1-SD 4.21Å; F3-M406 HydrophobicContact CZ-CG 3.84Å; S387-M406 CarbonylContact C-O 3.46Å; S387-M406 WeakPolarHBondContact CA-O 3.38Å; S387-M406 WeakPolarHBondContact CB-O 3.33Å; Q388-M406 PolarHBondContact N-O 3.04Å; Q388-M406 PolarHBondContact O-N 3.42Å; V390-M406 HydrophobicContact CG1-CB 4.47Å; V390-M406 HydrophobicContact CG1-CG 3.93Å; V390-M406 HydrophobicContact CG1-SD 4.12Å; V390-M406 HydrophobicContact CG2-CG 4.32Å; M406-S411 WeakPolarHBondContact CA-O 3.4Å |
| 407 | H | 95.3 | Very high | 97 | Very high | 28 Ų | 28 | 36.1 Ų | 36.1 | 13% | 0.13 | 20% | 0.196 | C | C | . | . | trans | -73.7 | 162.1 | 172.3 | -70.6 | 176.9 | 0 | 0 | 0 | 111.6 | F382 S387 D409 G410 S411 V413 | F382-H407 PolarHBondContact O-CE1 2.97Å; F382-H407 PolarHBondContact O-NE2 3.49Å; S387-H407 PolarHBondContact OG-CD2 2.65Å; H407-D409 WeakPolarHBondContact CB-OD1 3.32Å; H407-D409 PolarHBondContact O-N 3.28Å; H407-D409 VanDerWaalsContact O-N 3.16Å; H407-G410 PolarHBondContact O-N 2.78Å; H407-S411 WeakPolarHBondContact CB-OG 3.39Å; H407-S411 PolarHBondContact N-O 2.94Å; H407-S411 PolarHBondContact ND1-OG 3.44Å; H407-V413 WeakPolarHBondContact NE2-CG1 3.28Å | ||
| 408 | P | 92.8 | Very high | 97.1 | Very high | 92 Ų | 92 | 26.9 Ų | 26.9 | 60% | 0.597 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.3 | 173.8 | -26.7 | 35.5 | 0 | 0 | 0 | 114.5 | G410 | P408-G410 VanDerWaalsContact C-N 3.28Š|
| 409 | D | 95 | Very high | 97.3 | Very high | 120 Ų | 120 | 29 Ų | 29 | 64% | 0.642 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -1.3 | 177.3 | 70.3 | -0.3 | 0 | 0 | 0 | 113.9 | H407 S411 | H407-D409 WeakPolarHBondContact CB-OD1 3.32Å; H407-D409 PolarHBondContact O-N 3.28Å; H407-D409 VanDerWaalsContact O-N 3.16Å; D409-S411 VanDerWaalsContact OD1-CB 3.28Å; D409-S411 WeakPolarHBondContact OD1-CB 3.41Å; D409-S411 PolarHBondContact OD1-N 3.35Å; D409-S411 PolarHBondContact OD1-OG 3.08Å |
| 410 | G | 95.6 | Very high | 97.4 | Very high | 23 Ų | 23 | 24.8 Ų | 24.8 | 24% | 0.237 | 14% | 0.139 | C | C | . | . | S | Bend | trans | 86.8 | -1.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | H407 P408 R452 | H407-G410 PolarHBondContact O-N 2.78Å; P408-G410 VanDerWaalsContact C-N 3.28Å; G410-R452 VanDerWaalsContact O-CD 3.24Å; G410-R452 WeakPolarHBondContact O-CD 3.36Å; G410-R452 WeakPolarHBondContact O-CG 3.21Å |
| 411 | S | 97.1 | Very high | 97.4 | Very high | 17 Ų | 17 | 27.6 Ų | 27.6 | 12% | 0.119 | 16% | 0.161 | C | C | . | . | trans | -68.3 | 156 | 170.4 | 62.4 | 0 | 0 | 0 | 0 | 111.9 | M406 H407 D409 W450 | M406-S411 WeakPolarHBondContact CA-O 3.4Å; H407-S411 WeakPolarHBondContact CB-OG 3.39Å; H407-S411 PolarHBondContact N-O 2.94Å; H407-S411 PolarHBondContact ND1-OG 3.44Å; D409-S411 VanDerWaalsContact OD1-CB 3.28Å; D409-S411 WeakPolarHBondContact OD1-CB 3.41Å; D409-S411 PolarHBondContact OD1-N 3.35Å; D409-S411 PolarHBondContact OD1-OG 3.08Å; S411-W450 WeakPolarHBondContact CB-O 3.16Å | ||
| 412 | A | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 145.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F3 L449 W450 R452 | F3-A412 HydrophobicContact CE2-CB 4.13Å; F3-A412 HydrophobicContact CZ-CB 3.96Å; A412-L449 WeakPolarHBondContact O-CA 3.46Å; A412-W450 HydrophobicContact CB-CD2 3.89Å; A412-W450 VanDerWaalsContact CB-CE2 3.41Å; A412-W450 HydrophobicContact CB-CE3 4.35Å; A412-W450 HydrophobicContact CB-CG 4.46Å; A412-W450 HydrophobicContact CB-CH2 3.98Å; A412-W450 HydrophobicContact CB-CZ2 3.46Å; A412-W450 VanDerWaalsContact CB-CZ2 3.46Å; A412-W450 HydrophobicContact CB-CZ3 4.39Å; A412-W450 PolarHBondContact N-O 2.82Å; A412-W450 PolarHBondContact O-N 3.05Å; A412-R452 HydrophobicContact CB-CG 4.19Å |
| 413 | V | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 133.3 | 170.8 | 61.7 | 0 | 0 | 0 | 0 | 110.3 | F382 I383 A404 L405 H407 T447 Y448 L449 | F382-V413 HydrophobicContact CB-CG2 4.28Å; I383-V413 HydrophobicContact CG1-CG1 4.07Å; I383-V413 HydrophobicContact CG1-CG2 4.16Å; I383-V413 HydrophobicContact CG2-CG1 4.28Å; A404-V413 WeakPolarHBondContact CA-O 3.34Å; L405-V413 HydrophobicContact CB-CG1 3.74Å; L405-V413 HydrophobicContact CD1-CG1 4.16Å; L405-V413 PolarHBondContact N-O 2.92Å; L405-V413 PolarHBondContact O-N 3.08Å; H407-V413 WeakPolarHBondContact NE2-CG1 3.28Å; V413-T447 HydrophobicContact CG2-CG2 3.6Å; V413-Y448 CarbonylContact C-O 3.46Å; V413-Y448 VanDerWaalsContact CA-O 3.31Å; V413-Y448 WeakPolarHBondContact CA-O 3.26Å; V413-L449 HydrophobicContact CB-CD2 3.57Å; V413-L449 HydrophobicContact CG2-CD2 3.59Å; V413-L449 HydrophobicContact CG2-CG 4.37Å |
| 414 | V | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 126.9 | 172.9 | 177 | 0 | 0 | 0 | 0 | 109.5 | F3 L392 V403 A404 V416 I428 T447 Y448 W450 | F3-V414 HydrophobicContact CD2-CG2 4.4Å; F3-V414 HydrophobicContact CE2-CG2 4.27Å; L392-V414 HydrophobicContact CD2-CG1 4.1Å; V403-V414 WeakPolarHBondContact O-CA 3.21Å; A404-V414 HydrophobicContact CB-CG2 3.89Å; V414-V416 HydrophobicContact CG1-CG2 3.86Å; V414-I428 HydrophobicContact CB-CD1 4.42Å; V414-I428 HydrophobicContact CG1-CD1 4.11Å; V414-T447 CarbonylContact O-C 3.52Å; V414-T447 WeakPolarHBondContact O-CA 3.44Å; V414-Y448 PolarHBondContact N-O 2.81Å; V414-Y448 PolarHBondContact O-N 3.16Å; V414-W450 HydrophobicContact CB-CH2 4.38Å; V414-W450 HydrophobicContact CB-CZ3 4.3Å; V414-W450 HydrophobicContact CG2-CH2 3.52Å; V414-W450 HydrophobicContact CG2-CZ3 3.9Å |
| 415 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 131.2 | 171.1 | -172.8 | 0 | 0 | 0 | 0 | 108.7 | H378 F379 I383 A402 V403 I445 H446 T447 | H378-V415 HydrophobicContact CB-CG1 4.48Å; F379-V415 HydrophobicContact CD1-CB 4.32Å; F379-V415 HydrophobicContact CD1-CG1 4.32Å; F379-V415 HydrophobicContact CD1-CG2 3.88Å; F379-V415 HydrophobicContact CE1-CB 3.83Å; F379-V415 HydrophobicContact CE1-CG1 3.66Å; F379-V415 HydrophobicContact CE1-CG2 3.93Å; F379-V415 HydrophobicContact CE2-CG1 4.23Å; F379-V415 HydrophobicContact CZ-CB 4.29Å; F379-V415 HydrophobicContact CZ-CG1 3.6Å; I383-V415 HydrophobicContact CD1-CG2 4.34Å; A402-V415 VanDerWaalsContact CA-O 3.25Å; A402-V415 WeakPolarHBondContact CA-O 3.39Å; V403-V415 HydrophobicContact CG1-CB 4.17Å; V403-V415 PolarHBondContact N-O 3.41Å; V403-V415 PolarHBondContact O-N 2.75Å; V415-I445 HydrophobicContact CG1-CD1 4.1Å; V415-I445 HydrophobicContact CG1-CG1 4.09Å; V415-H446 CarbonylContact C-O 3.57Å; V415-H446 WeakPolarHBondContact CA-O 3.27Å; V415-T447 HydrophobicContact CG2-CG2 4Å |
| 416 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125.1 | 177.6 | -176 | 0 | 0 | 0 | 0 | 108.8 | L400 A402 V414 L426 I445 H446 Y448 | L400-V416 HydrophobicContact CB-CG1 4.31Å; L400-V416 HydrophobicContact CD1-CG1 4.03Å; A402-V416 HydrophobicContact CB-CG2 4.23Å; V414-V416 HydrophobicContact CG1-CG2 3.86Å; V416-L426 HydrophobicContact CG2-CD1 4.4Å; V416-I445 CarbonylContact O-C 3.52Å; V416-I445 WeakPolarHBondContact O-CA 3.12Å; V416-H446 PolarHBondContact N-O 3.49Å; V416-H446 PolarHBondContact O-N 3.02Å; V416-Y448 HydrophobicContact CB-CE2 4.36Å; V416-Y448 HydrophobicContact CG2-CD2 4.3Å; V416-Y448 HydrophobicContact CG2-CE2 3.97Å |
| 417 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 126.8 | 175.8 | 170.7 | 71.3 | 0 | 0 | 0 | 109.3 | M317 S320 H321 I324 D401 R419 I445 | M317-L417 HydrophobicContact CG-CD1 4.31Å; S320-L417 WeakPolarHBondContact OG-CD1 3.28Å; S320-L417 VanDerWaalsContact OG-CD2 3.27Å; S320-L417 WeakPolarHBondContact OG-CD2 3.17Å; H321-L417 HydrophobicContact CB-CD2 3.89Å; I324-L417 HydrophobicContact CD1-CB 3.81Å; I324-L417 HydrophobicContact CD1-CD2 4.38Å; D401-L417 HydrophobicContact CB-CB 4.23Å; D401-L417 HydrophobicContact CB-CD2 4.33Å; D401-L417 PolarHBondContact N-O 3.02Å; D401-L417 PolarHBondContact O-N 3.49Å; L417-R419 HydrophobicContact CD1-CG 4.18Å; L417-R419 HydrophobicContact CD2-CG 3.75Å; L417-R419 HydrophobicContact CG-CG 3.77Å; L417-I445 HydrophobicContact CD1-CB 4.01Å |
| 418 | N | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 107 | 170 | -173.1 | -2.1 | 0 | 0 | 0 | 109.8 | L400 S420 K422 S440 P441 Y443 S444 | L400-N418 HydrophobicContact CD2-CB 3.53Å; N418-S420 WeakPolarHBondContact OD1-CB 3.24Å; N418-S420 PolarHBondContact OD1-N 3.25Å; N418-S420 PolarHBondContact OD1-O 3.01Å; N418-S420 PolarHBondContact OD1-OG 2.85Å; N418-K422 PolarHBondContact ND2-O 3.4Å; N418-S440 WeakPolarHBondContact CB-OG 3.45Å; N418-S440 PolarHBondContact ND2-O 2.86Å; N418-P441 WeakPolarHBondContact CB-O 3.48Å; N418-P441 PolarHBondContact ND2-O 2.92Å; N418-Y443 CarbonylContact O-C 3.42Å; N418-Y443 VanDerWaalsContact O-CA 3.24Å; N418-Y443 WeakPolarHBondContact O-CA 3.44Å; N418-Y443 PolarHBondContact O-N 3.45Å; N418-S444 PolarHBondContact N-O 3.04Å; N418-S444 PolarHBondContact O-N 3.31Å; N418-S444 VanDerWaalsContact O-N 3.14Å |
| 419 | R | 98.3 | Very high | 97.9 | Very high | 105 Ų | 105 | 43.6 Ų | 43.6 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | trans | -89.1 | -6.7 | 176.5 | -59.7 | -173.5 | -73.9 | 127.5 | 2.2 | 113.3 | M317 H321 D401 L417 Y443 | M317-R419 HydrophobicContact CB-CG 4.17Å; M317-R419 HydrophobicContact CG-CG 4.34Å; M317-R419 HydrophobicContact SD-CB 3.92Å; M317-R419 HydrophobicContact SD-CG 3.86Å; H321-R419 PolarHBondContact CE1-NH2 3.26Å; H321-R419 VanDerWaalsContact CE1-NH2 3.33Å; H321-R419 PolarHBondContact ND1-NE 2.98Å; H321-R419 PolarHBondContact ND1-NH2 2.91Å; D401-R419 IonicContact OD1-NH2 3.54Å; D401-R419 IonicContact OD2-CZ 2.68Å; D401-R419 IonicContact OD2-NE 3.85Å; D401-R419 PolarHBondContact OD2-NE 2.99Å; D401-R419 IonicContact OD2-NH2 2.63Å; D401-R419 PolarHBondContact OD2-NH2 3.05Å; L417-R419 HydrophobicContact CD1-CG 4.18Å; L417-R419 HydrophobicContact CD2-CG 3.75Å; L417-R419 HydrophobicContact CG-CG 3.77Å; R419-Y443 VanDerWaalsContact O-CE1 3.22Å; R419-Y443 WeakPolarHBondContact O-CE1 3.37Å | ||
| 420 | S | 98.1 | Very high | 98 | Very high | 28 Ų | 28 | 37.9 Ų | 37.9 | 20% | 0.196 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -83.6 | 162.6 | 177.2 | 84.8 | 0 | 0 | 0 | 0 | 110.7 | N418 K422 G442 Y443 | N418-S420 WeakPolarHBondContact OD1-CB 3.24Å; N418-S420 PolarHBondContact OD1-N 3.25Å; N418-S420 PolarHBondContact OD1-O 3.01Å; N418-S420 PolarHBondContact OD1-OG 2.85Å; S420-K422 PolarHBondContact O-N 3.09Å; S420-K422 PolarHBondContact OG-N 3.06Å; S420-K422 PolarHBondContact OG-O 3.39Å; S420-G442 CarbonylContact O-C 3.02Å; S420-G442 WeakPolarHBondContact O-CA 3.34Å; S420-Y443 PolarHBondContact O-N 2.89Å |
| 421 | S | 97.9 | Very high | 98 | Very high | 79 Ų | 79 | 40.5 Ų | 40.5 | 55% | 0.552 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -81 | -0.8 | 174.1 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 422 | K | 98.2 | Very high | 98 | Very high | 153 Ų | 153 | 42.7 Ų | 42.7 | 67% | 0.665 | 24% | 0.24 | S | C | * | . | S | Bend | trans | -102.7 | 135.4 | -173 | -63.6 | 179.2 | -176.5 | 175.5 | 0 | 109.9 | N418 S420 | N418-K422 PolarHBondContact ND2-O 3.4Å; S420-K422 PolarHBondContact O-N 3.09Å; S420-K422 PolarHBondContact OG-N 3.06Å; S420-K422 PolarHBondContact OG-O 3.39Å |
| 423 | D | 98.5 | Very high | 97.9 | Very high | 101 Ų | 101 | 46.4 Ų | 46.4 | 54% | 0.54 | 26% | 0.263 | S | S | . | . | trans | -67.8 | 135.2 | 169.7 | -65.7 | -0.9 | 0 | 0 | 0 | 109.9 | I439 P441 G442 | D423-I439 HydrophobicContact CB-CD1 3.84Å; D423-I439 HydrophobicContact CB-CG1 4.19Å; D423-P441 VanDerWaalsContact OD1-CA 3.27Å; D423-P441 WeakPolarHBondContact OD1-CA 3.32Å; D423-G442 PolarHBondContact OD1-N 2.81Å | ||
| 424 | V | 98.3 | Very high | 97.8 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 24% | 0.242 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 104.9 | -179.5 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | L400 L426 S440 | L400-V424 HydrophobicContact CD1-CB 4.32Å; L400-V424 HydrophobicContact CD1-CG1 3.94Å; L400-V424 HydrophobicContact CD2-CB 4.3Å; L400-V424 HydrophobicContact CD2-CG2 4.19Å; L400-V424 HydrophobicContact CG-CG1 4.41Å; V424-L426 WeakPolarHBondContact O-CD2 3.26Å; V424-L426 PolarHBondContact O-N 3.01Å; V424-S440 PolarHBondContact N-O 3.03Å; V424-S440 PolarHBondContact O-N 3.28Å |
| 425 | P | 98.1 | Very high | 97.7 | Very high | 106 Ų | 106 | 54.2 Ų | 54.2 | 69% | 0.688 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 133.3 | 166.2 | -21.1 | 33.1 | 0 | 0 | 0 | 109.6 | ||
| 426 | L | 97.8 | Very high | 97.7 | Very high | 18 Ų | 18 | 56.5 Ų | 56.5 | 9% | 0.094 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 153.8 | 175.8 | 72.4 | 145.9 | 0 | 0 | 0 | 112.2 | M1 V416 V424 I428 T438 | M1-L426 HydrophobicContact CE-CD1 4.31Å; V416-L426 HydrophobicContact CG2-CD1 4.4Å; V424-L426 WeakPolarHBondContact O-CD2 3.26Å; V424-L426 PolarHBondContact O-N 3.01Å; L426-I428 HydrophobicContact CD1-CD1 4.29Å; L426-I428 HydrophobicContact CD1-CG1 3.93Å; L426-T438 HydrophobicContact CD1-CG2 4.23Å; L426-T438 HydrophobicContact CD2-CG2 3.77Å; L426-T438 HydrophobicContact CG-CG2 3.65Å; L426-T438 PolarHBondContact N-O 3.47Å; L426-T438 PolarHBondContact O-N 3.27Å |
| 427 | T | 98.4 | Very high | 97.6 | Very high | 56 Ų | 56 | 64.5 Ų | 64.5 | 34% | 0.344 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.3 | 169.9 | -46.9 | 0 | 0 | 0 | 0 | 109 | M1 F435 L436 E437 | M1-T427 PolarHBondContact N-O 2.98Å; T427-F435 HydrophobicContact CG2-CB 3.84Å; T427-F435 HydrophobicContact CG2-CD1 3.82Å; T427-F435 HydrophobicContact CG2-CG 4.3Å; T427-L436 CarbonylContact C-O 3.46Å; T427-L436 VanDerWaalsContact CA-O 3.29Å; T427-L436 WeakPolarHBondContact CA-O 3.23Å; T427-E437 HydrophobicContact CG2-CG 4.07Å |
| 428 | I | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 122.6 | 171.2 | -56.4 | 172.5 | 0 | 0 | 0 | 107.6 | V414 L426 F435 L436 Y448 W450 | V414-I428 HydrophobicContact CB-CD1 4.42Å; V414-I428 HydrophobicContact CG1-CD1 4.11Å; L426-I428 HydrophobicContact CD1-CD1 4.29Å; L426-I428 HydrophobicContact CD1-CG1 3.93Å; I428-F435 CarbonylContact O-C 3.6Å; I428-F435 WeakPolarHBondContact O-CA 3.33Å; I428-L436 HydrophobicContact CB-CB 4.35Å; I428-L436 PolarHBondContact N-O 3.21Å; I428-L436 PolarHBondContact O-N 3.11Å; I428-Y448 HydrophobicContact CD1-CD2 3.78Å; I428-Y448 HydrophobicContact CD1-CE2 4.09Å; I428-Y448 HydrophobicContact CD1-CG 4.14Å; I428-W450 HydrophobicContact CG2-CH2 3.97Å |
| 429 | K | 98 | Very high | 97.6 | Very high | 69 Ų | 69 | 70 Ų | 70 | 30% | 0.3 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.5 | 177.2 | -179.4 | -171 | 176.2 | -164.9 | 0 | 109.7 | M1 E2 F3 G434 F435 | M1-K429 PolarHBondContact O-N 3.46Å; E2-K429 HydrophobicContact CG-CD 4.1Å; E2-K429 WeakPolarHBondContact OE1-CE 3.27Å; E2-K429 IonicContact OE1-NZ 4Å; E2-K429 PolarHBondContact OE1-NZ 3.31Å; F3-K429 WeakPolarHBondContact CB-O 3.47Å; F3-K429 PolarHBondContact N-O 2.86Å; K429-G434 WeakPolarHBondContact CA-O 3.13Å; K429-F435 HydrophobicContact CB-CD1 3.84Å; K429-F435 HydrophobicContact CB-CE1 3.87Å; K429-F435 HydrophobicContact CD-CD1 4.44Å; K429-F435 HydrophobicContact CD-CE1 3.64Å; K429-F435 HydrophobicContact CD-CZ 3.99Å; K429-F435 HydrophobicContact CG-CD1 3.93Å; K429-F435 HydrophobicContact CG-CE1 3.59Å; K429-F435 HydrophobicContact CG-CZ 4.08Å |
| 430 | D | 97.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 114.7 | 162.2 | -174.8 | -21.9 | 0 | 0 | 0 | 108.1 | A432 V433 G434 W450 R452 | D430-A432 PolarHBondContact O-N 2.82Å; D430-A432 WeakPolarHBondContact OD1-CB 3.29Å; D430-A432 PolarHBondContact OD1-N 2.82Å; D430-V433 HydrophobicContact CB-CB 4.35Å; D430-V433 PolarHBondContact O-N 2.9Å; D430-G434 PolarHBondContact N-O 2.89Å; D430-G434 PolarHBondContact O-N 3.39Å; D430-W450 HydrophobicContact CB-CZ2 3.96Å; D430-W450 PolarHBondContact OD2-NE1 3.47Å; D430-R452 IonicContact OD1-CZ 2.64Å; D430-R452 IonicContact OD1-NE 2.68Å; D430-R452 PolarHBondContact OD1-NE 2.91Å; D430-R452 IonicContact OD1-NH2 3.11Å; D430-R452 PolarHBondContact OD1-NH2 3.5Å; D430-R452 IonicContact OD2-CZ 3.81Å; D430-R452 IonicContact OD2-NE 2.71Å; D430-R452 PolarHBondContact OD2-NE 3.1Å; D430-R452 IonicContact OD2-NH2 3.61Å |
| 431 | P | 95.3 | Very high | 97.6 | Very high | 79 Ų | 79 | 65.7 Ų | 65.7 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -23.5 | -179.3 | -26.9 | 34.6 | 0 | 0 | 0 | 114.9 | F3 | F3-P431 WeakPolarHBondContact O-CD 3.34Å; F3-P431 VanDerWaalsContact O-CG 3.28Å; F3-P431 WeakPolarHBondContact O-CG 2.88Å |
| 432 | A | 95.6 | Very high | 97.7 | Very high | 62 Ų | 62 | 62.9 Ų | 62.9 | 51% | 0.512 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -21.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D430 R452 | D430-A432 PolarHBondContact O-N 2.82Å; D430-A432 WeakPolarHBondContact OD1-CB 3.29Å; D430-A432 PolarHBondContact OD1-N 2.82Å; A432-R452 VanDerWaalsContact CB-NH2 3.33Å |
| 433 | V | 96.5 | Very high | 97.7 | Very high | 79 Ų | 79 | 61.2 Ų | 61.2 | 48% | 0.479 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | -37.4 | -169 | -172.9 | 0 | 0 | 0 | 0 | 112.6 | D430 R452 | D430-V433 HydrophobicContact CB-CB 4.35Å; D430-V433 PolarHBondContact O-N 2.9Å; V433-R452 HydrophobicContact CG2-CB 4.43Å |
| 434 | G | 95.8 | Very high | 97.7 | Very high | 24 Ų | 24 | 57 Ų | 57 | 25% | 0.247 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.5 | -137.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K429 D430 | K429-G434 WeakPolarHBondContact CA-O 3.13Å; D430-G434 PolarHBondContact N-O 2.89Å; D430-G434 PolarHBondContact O-N 3.39Å |
| 435 | F | 97.4 | Very high | 97.7 | Very high | 140 Ų | 140 | 55.6 Ų | 55.6 | 61% | 0.614 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 135.8 | -169.7 | -59.5 | -92.4 | 0 | 0 | 0 | 111.3 | T427 I428 K429 | T427-F435 HydrophobicContact CG2-CB 3.84Å; T427-F435 HydrophobicContact CG2-CD1 3.82Å; T427-F435 HydrophobicContact CG2-CG 4.3Å; I428-F435 CarbonylContact O-C 3.6Å; I428-F435 WeakPolarHBondContact O-CA 3.33Å; K429-F435 HydrophobicContact CB-CD1 3.84Å; K429-F435 HydrophobicContact CB-CE1 3.87Å; K429-F435 HydrophobicContact CD-CD1 4.44Å; K429-F435 HydrophobicContact CD-CE1 3.64Å; K429-F435 HydrophobicContact CD-CZ 3.99Å; K429-F435 HydrophobicContact CG-CD1 3.93Å; K429-F435 HydrophobicContact CG-CE1 3.59Å; K429-F435 HydrophobicContact CG-CZ 4.08Å |
| 436 | L | 97.6 | Very high | 97.7 | Very high | 47 Ų | 47 | 53.1 Ų | 53.1 | 25% | 0.246 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 105.9 | 169.3 | -67.9 | 79.3 | 0 | 0 | 0 | 107.9 | T427 I428 W450 | T427-L436 CarbonylContact C-O 3.46Å; T427-L436 VanDerWaalsContact CA-O 3.29Å; T427-L436 WeakPolarHBondContact CA-O 3.23Å; I428-L436 HydrophobicContact CB-CB 4.35Å; I428-L436 PolarHBondContact N-O 3.21Å; I428-L436 PolarHBondContact O-N 3.11Å; L436-W450 HydrophobicContact CD2-CD2 4.44Å; L436-W450 HydrophobicContact CD2-CE3 3.99Å; L436-W450 HydrophobicContact CD2-CZ3 4.39Å |
| 437 | E | 97.9 | Very high | 97.8 | Very high | 168 Ų | 168 | 53.7 Ų | 53.7 | 79% | 0.785 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 128.4 | 172.4 | -64.9 | -175.2 | 175.1 | 0 | 0 | 109.9 | T427 | T427-E437 HydrophobicContact CG2-CG 4.07Å |
| 438 | T | 98.3 | Very high | 97.8 | Very high | 43 Ų | 43 | 52.6 Ų | 52.6 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 176.7 | -176.2 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | L426 Y448 | L426-T438 HydrophobicContact CD1-CG2 4.23Å; L426-T438 HydrophobicContact CD2-CG2 3.77Å; L426-T438 HydrophobicContact CG-CG2 3.65Å; L426-T438 PolarHBondContact N-O 3.47Å; L426-T438 PolarHBondContact O-N 3.27Å; T438-Y448 HydrophobicContact CG2-CE1 3.98Å; T438-Y448 VanDerWaalsContact CG2-OH 3.26Å; T438-Y448 WeakPolarHBondContact CG2-OH 3.42Å; T438-Y448 PolarHBondContact OG1-OH 3.03Å |
| 439 | I | 98.2 | Very high | 97.8 | Very high | 74 Ų | 74 | 56.7 Ų | 56.7 | 38% | 0.379 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 142.5 | 171.9 | -165.3 | 168.3 | 0 | 0 | 0 | 108.7 | D423 P441 H446 | D423-I439 HydrophobicContact CB-CD1 3.84Å; D423-I439 HydrophobicContact CB-CG1 4.19Å; I439-P441 HydrophobicContact CG2-CG 4.4Å; I439-P441 WeakPolarHBondContact O-CD 3.38Å; I439-H446 PolarHBondContact O-CE1 2.9Å; I439-H446 VanDerWaalsContact O-CE1 3.31Å |
| 440 | S | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 95.6 | 167.2 | -169.3 | 0 | 0 | 0 | 0 | 107.6 | N418 V424 | N418-S440 WeakPolarHBondContact CB-OG 3.45Å; N418-S440 PolarHBondContact ND2-O 2.86Å; V424-S440 PolarHBondContact N-O 3.03Å; V424-S440 PolarHBondContact O-N 3.28Å |
| 441 | P | 98.7 | Very high | 97.8 | Very high | 42 Ų | 42 | 64.8 Ų | 64.8 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | trans | -56.7 | 156.9 | 179.8 | -24.4 | 34.2 | 0 | 0 | 0 | 112 | N418 D423 I439 Y443 S444 H446 | N418-P441 WeakPolarHBondContact CB-O 3.48Å; N418-P441 PolarHBondContact ND2-O 2.92Å; D423-P441 VanDerWaalsContact OD1-CA 3.27Å; D423-P441 WeakPolarHBondContact OD1-CA 3.32Å; I439-P441 HydrophobicContact CG2-CG 4.4Å; I439-P441 WeakPolarHBondContact O-CD 3.38Å; P441-Y443 PolarHBondContact O-N 3.15Å; P441-S444 WeakPolarHBondContact CD-OG 3.31Å; P441-S444 WeakPolarHBondContact O-CB 3.4Å; P441-S444 PolarHBondContact O-OG 3.44Å; P441-H446 WeakPolarHBondContact CD-CE1 3.49Å | ||
| 442 | G | 98.2 | Very high | 97.7 | Very high | 19 Ų | 19 | 64.1 Ų | 64.1 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 139.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | S420 D423 S444 | S420-G442 CarbonylContact O-C 3.02Å; S420-G442 WeakPolarHBondContact O-CA 3.34Å; D423-G442 PolarHBondContact OD1-N 2.81Å; G442-S444 PolarHBondContact O-N 2.97Å |
| 443 | Y | 98.4 | Very high | 97.3 | Very high | 119 Ų | 119 | 72.2 Ų | 72.2 | 47% | 0.467 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 51.2 | -179.4 | -56.1 | -60.1 | 0 | 0 | 0 | 113.6 | W313 M317 N418 R419 S420 P441 | W313-Y443 VanDerWaalsContact CE2-O 3.22Å; W313-Y443 WeakPolarHBondContact CZ2-O 3.43Å; W313-Y443 PolarHBondContact NE1-O 3.44Å; W313-Y443 VanDerWaalsContact NE1-O 3.14Å; M317-Y443 HydrophobicContact CE-CD1 4.03Å; M317-Y443 HydrophobicContact CE-CE1 4.34Å; M317-Y443 HydrophobicContact SD-CD1 3.94Å; N418-Y443 CarbonylContact O-C 3.42Å; N418-Y443 VanDerWaalsContact O-CA 3.24Å; N418-Y443 WeakPolarHBondContact O-CA 3.44Å; N418-Y443 PolarHBondContact O-N 3.45Å; R419-Y443 VanDerWaalsContact O-CE1 3.22Å; R419-Y443 WeakPolarHBondContact O-CE1 3.37Å; S420-Y443 PolarHBondContact O-N 2.89Å; P441-Y443 PolarHBondContact O-N 3.15Å |
| 444 | S | 98.7 | Very high | 97.4 | Very high | 11 Ų | 11 | 71.9 Ų | 71.9 | 8% | 0.077 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 160.3 | -178.7 | 71.1 | 0 | 0 | 0 | 0 | 112.8 | N418 P441 G442 | N418-S444 PolarHBondContact N-O 3.04Å; N418-S444 PolarHBondContact O-N 3.31Å; N418-S444 VanDerWaalsContact O-N 3.14Å; P441-S444 WeakPolarHBondContact CD-OG 3.31Å; P441-S444 WeakPolarHBondContact O-CB 3.4Å; P441-S444 PolarHBondContact O-OG 3.44Å; G442-S444 PolarHBondContact O-N 2.97Å |
| 445 | I | 98.8 | Very high | 97.5 | Very high | 11 Ų | 11 | 74.4 Ų | 74.4 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 127.3 | 168.3 | -179.4 | 169.7 | 0 | 0 | 0 | 109 | H378 F379 V415 V416 L417 | H378-I445 HydrophobicContact CB-CD1 3.65Å; H378-I445 HydrophobicContact CB-CG1 4.05Å; H378-I445 PolarHBondContact CE1-O 3.11Å; H378-I445 PolarHBondContact NE2-O 3.39Å; F379-I445 HydrophobicContact CE2-CD1 3.96Å; F379-I445 HydrophobicContact CZ-CD1 4.35Å; V415-I445 HydrophobicContact CG1-CD1 4.1Å; V415-I445 HydrophobicContact CG1-CG1 4.09Å; V416-I445 CarbonylContact O-C 3.52Å; V416-I445 WeakPolarHBondContact O-CA 3.12Å; L417-I445 HydrophobicContact CD1-CB 4.01Å |
| 446 | H | 98.8 | Very high | 97.5 | Very high | 55 Ų | 55 | 70.8 Ų | 70.8 | 26% | 0.255 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 143.7 | -179.3 | -67.4 | 178.3 | 0 | 0 | 0 | 110.6 | V415 V416 I439 P441 Y448 | V415-H446 CarbonylContact C-O 3.57Å; V415-H446 WeakPolarHBondContact CA-O 3.27Å; V416-H446 PolarHBondContact N-O 3.49Å; V416-H446 PolarHBondContact O-N 3.02Å; I439-H446 PolarHBondContact O-CE1 2.9Å; I439-H446 VanDerWaalsContact O-CE1 3.31Å; P441-H446 WeakPolarHBondContact CD-CE1 3.49Å; H446-Y448 HydrophobicContact CB-CD2 4.32Å; H446-Y448 HydrophobicContact CB-CE2 3.56Å; H446-Y448 AromaticContact ND1-CZ 3.71Å; H446-Y448 PolarHBondContact ND1-OH 3.47Å |
| 447 | T | 98.6 | Very high | 97.4 | Very high | 29 Ų | 29 | 72.2 Ų | 72.2 | 18% | 0.178 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 117.9 | 168.7 | -54.6 | 0 | 0 | 0 | 0 | 109.1 | H378 F382 V413 V414 V415 | H378-T447 WeakPolarHBondContact CB-OG1 3.49Å; H378-T447 PolarHBondContact ND1-OG1 3.21Å; H378-T447 PolarHBondContact O-OG1 2.59Å; F382-T447 HydrophobicContact CB-CG2 3.69Å; F382-T447 HydrophobicContact CD2-CG2 3.63Å; F382-T447 HydrophobicContact CE2-CG2 4.43Å; F382-T447 HydrophobicContact CG-CG2 3.8Å; V413-T447 HydrophobicContact CG2-CG2 3.6Å; V414-T447 CarbonylContact O-C 3.52Å; V414-T447 WeakPolarHBondContact O-CA 3.44Å; V415-T447 HydrophobicContact CG2-CG2 4Å |
| 448 | Y | 98.6 | Very high | 97.4 | Very high | 34 Ų | 34 | 66.2 Ų | 66.2 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 137 | 179.6 | -57.9 | -85.5 | 0 | 0 | 0 | 109.8 | V413 V414 V416 I428 T438 H446 | V413-Y448 CarbonylContact C-O 3.46Å; V413-Y448 VanDerWaalsContact CA-O 3.31Å; V413-Y448 WeakPolarHBondContact CA-O 3.26Å; V414-Y448 PolarHBondContact N-O 2.81Å; V414-Y448 PolarHBondContact O-N 3.16Å; V416-Y448 HydrophobicContact CB-CE2 4.36Å; V416-Y448 HydrophobicContact CG2-CD2 4.3Å; V416-Y448 HydrophobicContact CG2-CE2 3.97Å; I428-Y448 HydrophobicContact CD1-CD2 3.78Å; I428-Y448 HydrophobicContact CD1-CE2 4.09Å; I428-Y448 HydrophobicContact CD1-CG 4.14Å; T438-Y448 HydrophobicContact CG2-CE1 3.98Å; T438-Y448 VanDerWaalsContact CG2-OH 3.26Å; T438-Y448 WeakPolarHBondContact CG2-OH 3.42Å; T438-Y448 PolarHBondContact OG1-OH 3.03Å; H446-Y448 HydrophobicContact CB-CD2 4.32Å; H446-Y448 HydrophobicContact CB-CE2 3.56Å; H446-Y448 AromaticContact ND1-CZ 3.71Å; H446-Y448 PolarHBondContact ND1-OH 3.47Å |
| 449 | L | 98.1 | Very high | 97.4 | Very high | 85 Ų | 85 | 67.7 Ų | 67.7 | 45% | 0.445 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 134.9 | -178.7 | -70.4 | 163.1 | 0 | 0 | 0 | 109.6 | F382 A412 V413 | F382-L449 HydrophobicContact CB-CD1 4.41Å; F382-L449 HydrophobicContact CD1-CD1 3.51Å; F382-L449 HydrophobicContact CE1-CD1 4Å; F382-L449 HydrophobicContact CG-CD1 4.17Å; A412-L449 WeakPolarHBondContact O-CA 3.46Å; V413-L449 HydrophobicContact CB-CD2 3.57Å; V413-L449 HydrophobicContact CG2-CD2 3.59Å; V413-L449 HydrophobicContact CG2-CG 4.37Å |
| 450 | W | 98.1 | Very high | 97.3 | Very high | 30 Ų | 30 | 67.3 Ų | 67.3 | 11% | 0.114 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 155.5 | 172.6 | 65.5 | 95.8 | 0 | 0 | 0 | 112.2 | F3 S411 A412 V414 I428 D430 L436 | F3-W450 HydrophobicContact CD2-CH2 4.47Å; F3-W450 HydrophobicContact CD2-CZ2 4.31Å; F3-W450 HydrophobicContact CE2-CH2 4.47Å; F3-W450 HydrophobicContact CE2-CZ2 4.33Å; S411-W450 WeakPolarHBondContact CB-O 3.16Å; A412-W450 HydrophobicContact CB-CD2 3.89Å; A412-W450 VanDerWaalsContact CB-CE2 3.41Å; A412-W450 HydrophobicContact CB-CE3 4.35Å; A412-W450 HydrophobicContact CB-CG 4.46Å; A412-W450 HydrophobicContact CB-CH2 3.98Å; A412-W450 HydrophobicContact CB-CZ2 3.46Å; A412-W450 VanDerWaalsContact CB-CZ2 3.46Å; A412-W450 HydrophobicContact CB-CZ3 4.39Å; A412-W450 PolarHBondContact N-O 2.82Å; A412-W450 PolarHBondContact O-N 3.05Å; V414-W450 HydrophobicContact CB-CH2 4.38Å; V414-W450 HydrophobicContact CB-CZ3 4.3Å; V414-W450 HydrophobicContact CG2-CH2 3.52Å; V414-W450 HydrophobicContact CG2-CZ3 3.9Å; I428-W450 HydrophobicContact CG2-CH2 3.97Å; D430-W450 HydrophobicContact CB-CZ2 3.96Å; D430-W450 PolarHBondContact OD2-NE1 3.47Å; L436-W450 HydrophobicContact CD2-CD2 4.44Å; L436-W450 HydrophobicContact CD2-CE3 3.99Å; L436-W450 HydrophobicContact CD2-CZ3 4.39Å |
| 451 | R | 96.9 | Very high | 97.2 | Very high | 209 Ų | 209 | 72.5 Ų | 72.5 | 79% | 0.789 | 33% | 0.332 | S | S | * | . | trans | -80.1 | 142.7 | 170.2 | -65.6 | -172.5 | -179.2 | -152.3 | 0.1 | 109.6 | ||||
| 452 | R | 94.3 | Very high | 97.1 | Very high | 66 Ų | 66 | 75 Ų | 75 | 25% | 0.249 | 34% | 0.337 | C | S | . | . | trans | -97.6 | -12.3 | 178.4 | -57.3 | -171.6 | 73.5 | -123.1 | -3 | 113.6 | G410 A412 D430 A432 V433 | G410-R452 VanDerWaalsContact O-CD 3.24Å; G410-R452 WeakPolarHBondContact O-CD 3.36Å; G410-R452 WeakPolarHBondContact O-CG 3.21Å; A412-R452 HydrophobicContact CB-CG 4.19Å; D430-R452 IonicContact OD1-CZ 2.64Å; D430-R452 IonicContact OD1-NE 2.68Å; D430-R452 PolarHBondContact OD1-NE 2.91Å; D430-R452 IonicContact OD1-NH2 3.11Å; D430-R452 PolarHBondContact OD1-NH2 3.5Å; D430-R452 IonicContact OD2-CZ 3.81Å; D430-R452 IonicContact OD2-NE 2.71Å; D430-R452 PolarHBondContact OD2-NE 3.1Å; D430-R452 IonicContact OD2-NH2 3.61Å; A432-R452 VanDerWaalsContact CB-NH2 3.33Å; V433-R452 HydrophobicContact CG2-CB 4.43Å | ||
| 453 | Q | 87.6 | Confident | 97 | Very high | 232 Ų | 232 | 80.1 Ų | 80.1 | 100% | 1.084 | 35% | 0.35 | S | S | * | . | trans | -157.3 | 0 | 176.4 | 60 | -172.7 | 3.3 | 0 | 0 | 110.5 |
Retrieved 453 of 453 residues in 536.3 ms
(Link to these results)