| 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 | 33.2 | Very low | 34 | Very low | 233 Ų | 233 | 149.9 Ų | 149.9 | 100% | 1.148 | 82% | 0.818 | S | S | * | * | 0 | 98.8 | 0 | -79.3 | 173.2 | 165.9 | 0 | 0 | 108.3 | |||||
| 2 | H | 36.3 | Very low | 33.6 | Very low | 197 Ų | 197 | 150.4 Ų | 150.4 | 91% | 0.912 | 81% | 0.807 | S | S | * | * | trans | -144.3 | 117.1 | 155.5 | -85.4 | -63.3 | 0 | 0 | 0 | 107.2 | ||||
| 3 | T | 36.3 | Very low | 33.1 | Very low | 136 Ų | 136 | 149.2 Ų | 149.2 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -66.9 | 125.9 | -172.3 | 40.3 | 0 | 0 | 0 | 0 | 111.1 | S5 | T3-S5 PolarHBondContact O-N 3.14Š| ||
| 4 | V | 37.2 | Very low | 33.4 | Very low | 140 Ų | 140 | 143.4 Ų | 143.4 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | -68.1 | 110.8 | 165.4 | 179 | 0 | 0 | 0 | 0 | 107.1 | A6 | V4-A6 PolarHBondContact O-N 3.48Å; V4-A6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | S | 35.1 | Very low | 33.6 | Very low | 96 Ų | 96 | 139.7 Ų | 139.7 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | -67.4 | 104.7 | 175.9 | -169.1 | 0 | 0 | 0 | 0 | 108.8 | T3 Y7 | T3-S5 PolarHBondContact O-N 3.14Å; S5-Y7 PolarHBondContact O-N 3.48Å | ||
| 6 | A | 37.9 | Very low | 33.8 | Very low | 80 Ų | 80 | 135.5 Ų | 135.5 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | trans | -69.1 | 110.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | V4 T8 | V4-A6 PolarHBondContact O-N 3.48Å; V4-A6 VanDerWaalsContact O-N 3.09Å; A6-T8 VanDerWaalsContact C-N 3.34Å; A6-T8 PolarHBondContact O-N 3.31Å | ||
| 7 | Y | 34.1 | Very low | 35.3 | Very low | 223 Ų | 223 | 129.2 Ų | 129.2 | 88% | 0.875 | 74% | 0.74 | S | S | * | * | trans | -59.5 | 101 | 166.8 | -73.8 | -88.6 | 0 | 0 | 0 | 107.9 | S5 A9 | S5-Y7 PolarHBondContact O-N 3.48Å; Y7-A9 PolarHBondContact O-N 3.35Å | ||
| 8 | T | 32.8 | Very low | 37.9 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 77% | 0.767 | 73% | 0.733 | S | S | * | * | trans | -70.5 | 104.8 | 171.3 | -50.6 | 0 | 0 | 0 | 0 | 105.7 | A6 L10 | A6-T8 VanDerWaalsContact C-N 3.34Å; A6-T8 PolarHBondContact O-N 3.31Å; T8-L10 PolarHBondContact O-N 3.43Å | ||
| 9 | A | 33.8 | Very low | 40.8 | Very low | 86 Ų | 86 | 122.2 Ų | 122.2 | 71% | 0.711 | 70% | 0.697 | S | S | * | * | trans | -56.4 | 112 | 172.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | Y7 K11 | Y7-A9 PolarHBondContact O-N 3.35Å; A9-K11 PolarHBondContact O-N 3.17Å | ||
| 10 | L | 29.4 | Very low | 43.6 | Very low | 135 Ų | 135 | 116.8 Ų | 116.8 | 71% | 0.707 | 67% | 0.666 | S | S | * | * | trans | -62.1 | 101.7 | 175.6 | -140.3 | 85.9 | 0 | 0 | 0 | 106.9 | T8 F12 | T8-L10 PolarHBondContact O-N 3.43Å; L10-F12 VanDerWaalsContact C-N 3.35Å; L10-F12 HydrophobicContact CB-CE2 4.39Å; L10-F12 HydrophobicContact CD2-CD2 4.3Å; L10-F12 HydrophobicContact CD2-CE2 3.67Å; L10-F12 HydrophobicContact CD2-CZ 3.79Å; L10-F12 PolarHBondContact O-N 2.74Å | ||
| 11 | K | 27.8 | Very low | 46 | Very low | 198 Ų | 198 | 112.2 Ų | 112.2 | 86% | 0.861 | 64% | 0.638 | S | S | * | * | trans | -70 | 95.7 | 170.5 | -71.2 | -174.6 | 178.2 | -176.6 | 0 | 107.2 | A9 T13 | A9-K11 PolarHBondContact O-N 3.17Å; K11-T13 PolarHBondContact O-N 3.16Å; K11-T13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | F | 29.1 | Very low | 49.1 | Very low | 156 Ų | 156 | 101.1 Ų | 101.1 | 68% | 0.684 | 58% | 0.583 | S | S | * | * | trans | -68 | 103.5 | 165 | -81.9 | -87 | 0 | 0 | 0 | 107.9 | L10 V14 | L10-F12 VanDerWaalsContact C-N 3.35Å; L10-F12 HydrophobicContact CB-CE2 4.39Å; L10-F12 HydrophobicContact CD2-CD2 4.3Å; L10-F12 HydrophobicContact CD2-CE2 3.67Å; L10-F12 HydrophobicContact CD2-CZ 3.79Å; L10-F12 PolarHBondContact O-N 2.74Å; F12-V14 PolarHBondContact O-N 3.09Å; F12-V14 VanDerWaalsContact O-N 3.13Å | ||
| 13 | T | 27.3 | Very low | 52.1 | Low | 134 Ų | 134 | 91.7 Ų | 91.7 | 82% | 0.822 | 54% | 0.54 | S | S | * | . | trans | -70 | 100.6 | 160.6 | 40.2 | 0 | 0 | 0 | 0 | 107.7 | K11 S15 | K11-T13 PolarHBondContact O-N 3.16Å; K11-T13 VanDerWaalsContact O-N 3.11Å; T13-S15 PolarHBondContact O-N 3.03Å | ||
| 14 | V | 36.8 | Very low | 55.1 | Low | 69 Ų | 69 | 85.3 Ų | 85.3 | 42% | 0.418 | 50% | 0.5 | S | S | . | . | trans | -60.6 | 122.9 | 162.7 | 177.5 | 0 | 0 | 0 | 0 | 106.2 | F12 G16 R396 | F12-V14 PolarHBondContact O-N 3.09Å; F12-V14 VanDerWaalsContact O-N 3.13Å; V14-G16 PolarHBondContact O-N 3Å; V14-G16 VanDerWaalsContact O-N 3.09Å; V14-R396 HydrophobicContact CG1-CB 3.97Å | ||
| 15 | S | 36.7 | Very low | 58 | Low | 87 Ų | 87 | 78.7 Ų | 78.7 | 61% | 0.608 | 46% | 0.46 | S | S | * | . | trans | -54.5 | 120.5 | 174.5 | 60.5 | 0 | 0 | 0 | 0 | 108.3 | T13 G17 | T13-S15 PolarHBondContact O-N 3.03Å; S15-G17 PolarHBondContact O-N 3.27Å | ||
| 16 | G | 37 | Very low | 61 | Low | 73 Ų | 73 | 74.2 Ų | 74.2 | 75% | 0.753 | 43% | 0.429 | S | S | * | . | trans | -67.4 | 70.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V14 | V14-G16 PolarHBondContact O-N 3Å; V14-G16 VanDerWaalsContact O-N 3.09Å | ||
| 17 | G | 59.3 | Low | 63.9 | Low | 29 Ų | 29 | 70.5 Ų | 70.5 | 30% | 0.299 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -102.3 | 159.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S15 R396 | S15-G17 PolarHBondContact O-N 3.27Å; G17-R396 WeakPolarHBondContact O-CB 3.48Å; G17-R396 WeakPolarHBondContact O-CD 3.4Å; G17-R396 WeakPolarHBondContact O-CG 3.43Å; G17-R396 PolarHBondContact O-NE 2.88Å |
| 18 | N | 82.8 | Confident | 66.9 | Low | 116 Ų | 116 | 64 Ų | 64 | 62% | 0.62 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 154 | 174.1 | -64 | -14.7 | 0 | 0 | 0 | 110.7 | R396 | N18-R396 PolarHBondContact O-NH2 3.24Š|
| 19 | Y | 92.7 | Very high | 69.9 | Low | 9 Ų | 9 | 58 Ų | 58 | 4% | 0.035 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -72 | 136 | 170.1 | -72.2 | -79.7 | 0 | 0 | 0 | 110.6 | R21 L350 M351 Y355 G356 L391 S394 R396 | Y19-R21 PolarHBondContact O-N 2.63Å; Y19-L350 HydrophobicContact CD1-CD1 4.27Å; Y19-L350 HydrophobicContact CE1-CD1 4.33Å; Y19-M351 HydrophobicContact CD1-CG 4.38Å; Y19-M351 HydrophobicContact CD2-CE 4.43Å; Y19-M351 HydrophobicContact CE1-CB 4.21Å; Y19-M351 HydrophobicContact CE1-CG 3.74Å; Y19-M351 HydrophobicContact CE2-CE 3.7Å; Y19-M351 HydrophobicContact CE2-CG 3.92Å; Y19-M351 VanDerWaalsContact CZ-CG 3.48Å; Y19-M351 WeakPolarHBondContact OH-CA 2.99Å; Y19-M351 WeakPolarHBondContact OH-CB 3.3Å; Y19-Y355 WeakPolarHBondContact CE1-O 3.48Å; Y19-G356 WeakPolarHBondContact CA-O 3.39Å; Y19-L391 HydrophobicContact CD1-CD2 4.32Å; Y19-L391 HydrophobicContact CD2-CD2 4.31Å; Y19-L391 HydrophobicContact CG-CD2 3.98Å; Y19-S394 WeakPolarHBondContact CE2-O 3.42Å; Y19-R396 HydrophobicContact CD1-CG 4.49Å; Y19-R396 HydrophobicContact CD2-CG 4.27Å; Y19-R396 HydrophobicContact CE1-CG 4.05Å; Y19-R396 HydrophobicContact CE2-CG 3.79Å |
| 20 | V | 95.5 | Very high | 72.9 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 9% | 0.085 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 127.5 | 174.7 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | E49 Y50 F200 I255 G356 G357 A358 | V20-E49 VanDerWaalsContact CA-OE1 3.28Å; V20-E49 WeakPolarHBondContact CA-OE1 3.23Å; V20-Y50 HydrophobicContact CG1-CD2 3.76Å; V20-Y50 HydrophobicContact CG1-CE2 4.07Å; V20-Y50 HydrophobicContact CG2-CE2 4.24Å; V20-F200 HydrophobicContact CG1-CE1 4.22Å; V20-F200 HydrophobicContact CG1-CE2 4.18Å; V20-F200 HydrophobicContact CG1-CZ 3.97Å; V20-F200 HydrophobicContact CG2-CD1 4.27Å; V20-F200 HydrophobicContact CG2-CE1 4.38Å; V20-I255 HydrophobicContact CB-CD1 3.67Å; V20-I255 HydrophobicContact CB-CG1 4.2Å; V20-I255 HydrophobicContact CB-CG2 4.42Å; V20-I255 HydrophobicContact CG1-CD1 4.07Å; V20-I255 HydrophobicContact CG1-CG1 4.02Å; V20-I255 HydrophobicContact CG1-CG2 4.03Å; V20-I255 HydrophobicContact CG2-CD1 3.88Å; V20-G356 PolarHBondContact N-O 2.88Å; V20-G357 CarbonylContact O-C 3.56Å; V20-G357 VanDerWaalsContact O-CA 3.31Å; V20-G357 WeakPolarHBondContact O-CA 3.19Å; V20-A358 PolarHBondContact O-N 2.72Å; V20-A358 VanDerWaalsContact O-O 3.07Å |
| 21 | R | 95.8 | Very high | 76.1 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 8% | 0.075 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 100.4 | 171.1 | -63.8 | 175.9 | -63.3 | 147.7 | -5.9 | 109.9 | Y19 D46 L47 C48 E49 Y50 A358 M387 L391 | Y19-R21 PolarHBondContact O-N 2.63Å; R21-D46 PolarHBondContact NH1-O 3.05Å; R21-D46 IonicContact NH1-OD1 2.63Å; R21-D46 IonicContact NH2-OD1 2.67Å; R21-L47 PolarHBondContact NH1-O 2.82Å; R21-C48 WeakPolarHBondContact O-CB 3.28Å; R21-E49 HydrophobicContact CB-CG 4.42Å; R21-E49 IonicContact CZ-OE2 2.95Å; R21-E49 PolarHBondContact N-OE1 3.33Å; R21-E49 IonicContact NE-OE2 3.51Å; R21-E49 PolarHBondContact NE-OE2 3.3Å; R21-E49 IonicContact NH2-OE2 2.63Å; R21-E49 PolarHBondContact NH2-OE2 3.11Å; R21-E49 PolarHBondContact O-N 2.86Å; R21-Y50 PolarHBondContact O-N 3.08Å; R21-Y50 VanDerWaalsContact O-N 3.09Å; R21-A358 WeakPolarHBondContact CA-O 3.22Å; R21-M387 HydrophobicContact CB-CE 4.21Å; R21-L391 HydrophobicContact CG-CB 4.2Å; R21-L391 HydrophobicContact CG-CD1 4.2Å |
| 22 | G | 97.8 | Very high | 79.3 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 146.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y50 A358 F359 V360 | G22-Y50 CarbonylContact C-O 3.55Å; G22-Y50 WeakPolarHBondContact CA-O 3.39Å; G22-A358 PolarHBondContact N-O 3.31Å; G22-F359 CarbonylContact O-C 3.45Å; G22-F359 WeakPolarHBondContact O-CA 3.27Å; G22-F359 WeakPolarHBondContact O-CB 3.24Å; G22-V360 PolarHBondContact O-N 2.94Å |
| 23 | C | 98.6 | Very high | 82.2 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 121.7 | 177.2 | -71 | 0 | 0 | 0 | 0 | 112 | C48 Y50 V51 F52 V360 L363 | C23-C48 HydrophobicContact CB-CB 3.68Å; C23-C48 WeakPolarHBondContact CB-SG 3.4Å; C23-C48 WeakPolarHBondContact SG-CB 3.33Å; C23-C48 CovalentContact SG-SG 2Å; C23-C48 PolarHBondContact SG-SG 3.22Å; C23-Y50 PolarHBondContact N-O 2.76Å; C23-V51 CarbonylContact O-C 3.59Å; C23-V51 VanDerWaalsContact O-CA 3.29Å; C23-V51 WeakPolarHBondContact O-CA 3.41Å; C23-F52 PolarHBondContact O-N 3.18Å; C23-V360 HydrophobicContact CB-CG2 3.99Å; C23-V360 VanDerWaalsContact SG-CG2 3.55Å; C23-L363 HydrophobicContact CB-CD1 3.96Å; C23-L363 HydrophobicContact CB-CD2 3.83Å; C23-L363 HydrophobicContact CB-CG 3.81Å |
| 24 | Y | 98.8 | Very high | 85 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 131.5 | 170.6 | -78 | -94 | 0 | 0 | 0 | 110.9 | F52 A54 S94 D135 N202 F359 V360 W361 L363 | Y24-F52 WeakPolarHBondContact CA-O 3.39Å; Y24-F52 HydrophobicContact CD1-CB 3.44Å; Y24-F52 VanDerWaalsContact CD1-CB 3.44Å; Y24-F52 HydrophobicContact CD1-CG 4.28Å; Y24-F52 HydrophobicContact CD2-CB 4.26Å; Y24-F52 AromaticContact CD2-CD2 3.85Å; Y24-F52 HydrophobicContact CD2-CD2 3.85Å; Y24-F52 HydrophobicContact CD2-CG 4.37Å; Y24-F52 HydrophobicContact CE1-CB 3.44Å; Y24-F52 VanDerWaalsContact CE1-CB 3.44Å; Y24-F52 HydrophobicContact CE1-CD2 4.39Å; Y24-F52 AromaticContact CE1-CG 3.98Å; Y24-F52 HydrophobicContact CE1-CG 3.98Å; Y24-F52 HydrophobicContact CE2-CB 4.25Å; Y24-F52 AromaticContact CE2-CD2 3.67Å; Y24-F52 HydrophobicContact CE2-CD2 3.67Å; Y24-F52 HydrophobicContact CE2-CE2 4.28Å; Y24-F52 HydrophobicContact CE2-CG 4.06Å; Y24-F52 HydrophobicContact CG-CB 3.87Å; Y24-F52 HydrophobicContact CG-CD2 4.28Å; Y24-F52 HydrophobicContact CG-CG 4.47Å; Y24-F52 AromaticContact CZ-CD2 3.96Å; Y24-F52 AromaticContact CZ-CG 3.85Å; Y24-A54 HydrophobicContact CD1-CB 4.18Å; Y24-S94 WeakPolarHBondContact CE1-OG 3.23Å; Y24-D135 WeakPolarHBondContact CE1-OD2 3.19Å; Y24-D135 PolarHBondContact OH-OD1 2.92Å; Y24-D135 PolarHBondContact OH-OD2 3.02Å; Y24-N202 PolarHBondContact OH-ND2 2.98Å; Y24-F359 AromaticContact CD2-CD2 3.65Å; Y24-F359 HydrophobicContact CD2-CD2 3.65Å; Y24-F359 AromaticContact CD2-CE2 3.95Å; Y24-F359 HydrophobicContact CD2-CE2 3.95Å; Y24-F359 AromaticContact CE2-CD2 3.52Å; Y24-F359 HydrophobicContact CE2-CD2 3.52Å; Y24-F359 AromaticContact CE2-CE2 3.62Å; Y24-F359 HydrophobicContact CE2-CE2 3.62Å; Y24-F359 HydrophobicContact CE2-CG 4.39Å; Y24-V360 PolarHBondContact N-O 2.74Å; Y24-V360 VanDerWaalsContact N-O 3.11Å; Y24-W361 AromaticContact CD1-CE3 3.77Å; Y24-W361 HydrophobicContact CD1-CE3 3.77Å; Y24-W361 AromaticContact CD1-CZ3 3.5Å; Y24-W361 HydrophobicContact CD1-CZ3 3.5Å; Y24-W361 VanDerWaalsContact CD1-CZ3 3.5Å; Y24-W361 AromaticContact CD2-CE3 3.89Å; Y24-W361 HydrophobicContact CD2-CE3 3.89Å; Y24-W361 HydrophobicContact CD2-CZ3 4.46Å; Y24-W361 HydrophobicContact CE1-CE3 4.42Å; Y24-W361 HydrophobicContact CE1-CZ3 4.13Å; Y24-W361 AromaticContact CG-CE3 3.47Å; Y24-W361 HydrophobicContact CG-CE3 3.47Å; Y24-W361 VanDerWaalsContact CG-CE3 3.47Å; Y24-W361 AromaticContact CG-CZ3 3.69Å; Y24-W361 HydrophobicContact CG-CZ3 3.69Å; Y24-L363 WeakPolarHBondContact O-CG 3.22Å; Y24-L363 PolarHBondContact O-N 2.84Å |
| 25 | F | 98.7 | Very high | 87.4 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 123.3 | 170.6 | 175.2 | -82.3 | 0 | 0 | 0 | 108.2 | Y38 P40 V51 F52 Y53 A54 L363 | F25-Y38 HydrophobicContact CD2-CD1 4.25Å; F25-Y38 AromaticContact CD2-CE1 3.55Å; F25-Y38 HydrophobicContact CD2-CE1 3.55Å; F25-Y38 AromaticContact CE2-CD1 3.77Å; F25-Y38 HydrophobicContact CE2-CD1 3.77Å; F25-Y38 AromaticContact CE2-CE1 3.41Å; F25-Y38 HydrophobicContact CE2-CE1 3.41Å; F25-Y38 VanDerWaalsContact CE2-CE1 3.41Å; F25-Y38 HydrophobicContact CZ-CD1 4.42Å; F25-Y38 HydrophobicContact CZ-CE1 4.44Å; F25-P40 HydrophobicContact CE1-CG 4.49Å; F25-P40 HydrophobicContact CE2-CB 4.39Å; F25-P40 HydrophobicContact CE2-CG 3.88Å; F25-P40 HydrophobicContact CZ-CG 3.65Å; F25-V51 HydrophobicContact CB-CG1 4Å; F25-F52 PolarHBondContact N-O 3.12Å; F25-Y53 AromaticContact CD1-CD2 3.77Å; F25-Y53 HydrophobicContact CD1-CD2 3.77Å; F25-Y53 AromaticContact CD1-CE2 3.68Å; F25-Y53 HydrophobicContact CD1-CE2 3.68Å; F25-Y53 HydrophobicContact CD1-CG 4.49Å; F25-Y53 HydrophobicContact CE1-CD2 4.24Å; F25-Y53 AromaticContact CE1-CE2 3.68Å; F25-Y53 HydrophobicContact CE1-CE2 3.68Å; F25-A54 WeakPolarHBondContact O-CB 3.24Å; F25-A54 PolarHBondContact O-N 3.1Å; F25-L363 HydrophobicContact CB-CD1 4.27Å |
| 26 | T | 98.5 | Very high | 90.1 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 125.9 | -179.6 | 63.8 | 0 | 0 | 0 | 0 | 111.6 | W28 A29 A54 W361 T362 D364 | T26-W28 VanDerWaalsContact C-N 3.35Å; T26-W28 HydrophobicContact CG2-CH2 3.32Å; T26-W28 HydrophobicContact CG2-CZ2 3.38Å; T26-W28 HydrophobicContact CG2-CZ3 3.94Å; T26-W28 PolarHBondContact O-N 3.42Å; T26-A29 PolarHBondContact O-N 3.1Å; T26-A29 WeakPolarHBondContact OG1-CB 3.47Å; T26-A54 WeakPolarHBondContact CA-O 3.3Å; T26-A54 HydrophobicContact CG2-CB 4.4Å; T26-W361 HydrophobicContact CG2-CH2 4.36Å; T26-T362 HydrophobicContact CG2-CG2 3.64Å; T26-D364 PolarHBondContact OG1-OD1 3.4Å; T26-D364 PolarHBondContact OG1-OD2 3.39Å |
| 27 | N | 97.7 | Very high | 93 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -74.5 | -22.7 | -176.5 | 64.5 | -1.3 | 0 | 0 | 0 | 113.8 | Q30 Y53 A54 F55 E68 D71 L75 | N27-Q30 WeakPolarHBondContact O-CG 3.38Å; N27-Q30 PolarHBondContact O-NE2 2.64Å; N27-Y53 HydrophobicContact CB-CE1 3.66Å; N27-Y53 VanDerWaalsContact CB-OH 3.26Å; N27-Y53 WeakPolarHBondContact CB-OH 3.35Å; N27-A54 PolarHBondContact N-O 3.06Å; N27-A54 PolarHBondContact OD1-O 3.45Å; N27-F55 PolarHBondContact ND2-O 3.32Å; N27-E68 HydrophobicContact CB-CG 4.07Å; N27-E68 WeakPolarHBondContact ND2-CG 3.49Å; N27-D71 PolarHBondContact ND2-OD1 3.16Å; N27-D71 VanDerWaalsContact ND2-OD1 3.16Å; N27-D71 PolarHBondContact ND2-OD2 3.42Å; N27-L75 HydrophobicContact CB-CD1 4.06Å |
| 28 | W | 97 | Very high | 94.8 | Very high | 87 Ų | 87 | 37.1 Ų | 37.1 | 33% | 0.33 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -79.9 | -14.8 | 177.6 | 65.3 | 91.6 | 0 | 0 | 0 | 113.7 | T26 Q30 Y31 A54 F55 W361 | T26-W28 VanDerWaalsContact C-N 3.35Å; T26-W28 HydrophobicContact CG2-CH2 3.32Å; T26-W28 HydrophobicContact CG2-CZ2 3.38Å; T26-W28 HydrophobicContact CG2-CZ3 3.94Å; T26-W28 PolarHBondContact O-N 3.42Å; W28-Q30 PolarHBondContact O-N 2.65Å; W28-Y31 HydrophobicContact CB-CD2 4.32Å; W28-Y31 WeakPolarHBondContact O-CD2 3.44Å; W28-Y31 PolarHBondContact O-N 3.05Å; W28-A54 HydrophobicContact CH2-CB 4.35Å; W28-A54 HydrophobicContact CZ3-CB 4.2Å; W28-F55 HydrophobicContact CH2-CD2 4.09Å; W28-F55 AromaticContact CH2-CE2 3.81Å; W28-F55 HydrophobicContact CH2-CE2 3.81Å; W28-F55 AromaticContact CZ3-CD2 3.72Å; W28-F55 HydrophobicContact CZ3-CD2 3.72Å; W28-F55 AromaticContact CZ3-CE2 3.94Å; W28-F55 HydrophobicContact CZ3-CE2 3.94Å; W28-W361 AromaticContact CH2-CH2 3.98Å; W28-W361 HydrophobicContact CH2-CH2 3.98Å; W28-W361 HydrophobicContact CH2-CZ2 4.18Å; W28-W361 HydrophobicContact CZ2-CZ2 4.32Å |
| 29 | A | 97.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -61.9 | -16 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | T26 Y31 R32 Y38 D364 | T26-A29 PolarHBondContact O-N 3.1Å; T26-A29 WeakPolarHBondContact OG1-CB 3.47Å; A29-Y31 PolarHBondContact O-N 2.9Å; A29-R32 PolarHBondContact O-N 3.07Å; A29-Y38 PolarHBondContact O-N 3.34Å; A29-D364 HydrophobicContact CB-CB 3.83Å |
| 30 | Q | 97 | Very high | 95.7 | Very high | 11 Ų | 11 | 32.7 Ų | 32.7 | 5% | 0.051 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -60.4 | -20.1 | 170 | 74.5 | 178.6 | -63.4 | 0 | 0 | 114.3 | N27 W28 K37 Y38 F39 N70 | N27-Q30 WeakPolarHBondContact O-CG 3.38Å; N27-Q30 PolarHBondContact O-NE2 2.64Å; W28-Q30 PolarHBondContact O-N 2.65Å; Q30-K37 WeakPolarHBondContact O-CE 3.42Å; Q30-K37 WeakPolarHBondContact O-CG 3.2Å; Q30-Y38 WeakPolarHBondContact CA-O 3.48Å; Q30-Y38 PolarHBondContact N-O 2.89Å; Q30-F39 HydrophobicContact CB-CD1 4.11Å; Q30-F39 HydrophobicContact CB-CE1 3.49Å; Q30-F39 VanDerWaalsContact CB-CE1 3.49Å; Q30-F39 HydrophobicContact CB-CZ 3.92Å; Q30-N70 PolarHBondContact NE2-OD1 3.47Å; Q30-N70 VanDerWaalsContact NE2-OD1 3.12Å; Q30-N70 PolarHBondContact OE1-ND2 2.94Å; Q30-N70 PolarHBondContact OE1-OD1 3.31Å |
| 31 | Y | 96.4 | Very high | 95.7 | Very high | 106 Ų | 106 | 37.3 Ų | 37.3 | 42% | 0.416 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -95.8 | -5.4 | -176.7 | -58.5 | -56.4 | 0 | 0 | 0 | 113.9 | W28 A29 E68 W69 | W28-Y31 HydrophobicContact CB-CD2 4.32Å; W28-Y31 WeakPolarHBondContact O-CD2 3.44Å; W28-Y31 PolarHBondContact O-N 3.05Å; A29-Y31 PolarHBondContact O-N 2.9Å; Y31-E68 VanDerWaalsContact CE2-OE2 3.24Å; Y31-E68 WeakPolarHBondContact CE2-OE2 3.28Å; Y31-E68 VanDerWaalsContact CZ-OE2 3.3Å; Y31-E68 PolarHBondContact OH-OE2 3.13Å; Y31-W69 PolarHBondContact OH-NE1 3.31Å |
| 32 | R | 95 | Very high | 95.8 | Very high | 21 Ų | 21 | 38 Ų | 38 | 8% | 0.079 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -65.2 | 153.8 | 177 | -67.9 | 176.6 | -171.3 | 153.6 | 10.1 | 111.5 | A29 G36 D364 | A29-R32 PolarHBondContact O-N 3.07Å; R32-G36 WeakPolarHBondContact CB-O 3.33Å; R32-G36 WeakPolarHBondContact CD-O 3.36Å; R32-D364 IonicContact CZ-OD2 3.61Å; R32-D364 PolarHBondContact NH1-O 3Å; R32-D364 VanDerWaalsContact NH1-O 3.1Å; R32-D364 IonicContact NH1-OD2 2.65Å; R32-D364 PolarHBondContact NH1-OD2 2.7Å; R32-D364 IonicContact NH2-OD2 3.83Å; R32-D364 PolarHBondContact NH2-OD2 3.43Å |
| 33 | Q | 88.8 | Confident | 95.7 | Very high | 134 Ų | 134 | 38.6 Ų | 38.6 | 63% | 0.626 | 18% | 0.183 | S | C | * | . | trans | -79.8 | 149.7 | -178.5 | -61 | -59.4 | -33 | 0 | 0 | 111.4 | E35 G36 | Q33-E35 PolarHBondContact O-N 3.35Å; Q33-G36 PolarHBondContact O-N 3.27Å | ||
| 34 | A | 87 | Confident | 95.5 | Very high | 69 Ų | 69 | 41.3 Ų | 41.3 | 57% | 0.57 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | 43.2 | -116.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | G36 K37 Y288 | A34-G36 VanDerWaalsContact C-N 3.26Å; A34-G36 PolarHBondContact O-N 2.88Å; A34-K37 WeakPolarHBondContact O-CB 3.42Å; A34-K37 PolarHBondContact O-N 3.21Å; A34-Y288 HydrophobicContact CB-CE1 4.21Å |
| 35 | E | 87.7 | Confident | 95.2 | Very high | 91 Ų | 91 | 43.8 Ų | 43.8 | 43% | 0.425 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -72 | -15.4 | -174.8 | -60.3 | -51.6 | 135 | 0 | 0 | 114.5 | Q33 K37 Y288 F368 K369 | Q33-E35 PolarHBondContact O-N 3.35Å; E35-K37 VanDerWaalsContact C-N 3.34Å; E35-Y288 HydrophobicContact CB-CD1 4.39Å; E35-Y288 HydrophobicContact CB-CE1 3.88Å; E35-Y288 HydrophobicContact CG-CE1 4.49Å; E35-F368 WeakPolarHBondContact O-CZ 3.16Å; E35-K369 HydrophobicContact CB-CD 4.5Å; E35-K369 WeakPolarHBondContact O-CE 3.3Å; E35-K369 PolarHBondContact O-NZ 3.36Å; E35-K369 WeakPolarHBondContact OE2-CD 3.36Å; E35-K369 WeakPolarHBondContact OE2-CE 3.49Å; E35-K369 IonicContact OE2-NZ 2.89Å; E35-K369 PolarHBondContact OE2-NZ 2.99Å |
| 36 | G | 93.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -82.6 | -9.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R32 Q33 A34 Y38 | R32-G36 WeakPolarHBondContact CB-O 3.33Å; R32-G36 WeakPolarHBondContact CD-O 3.36Å; Q33-G36 PolarHBondContact O-N 3.27Å; A34-G36 VanDerWaalsContact C-N 3.26Å; A34-G36 PolarHBondContact O-N 2.88Å; G36-Y38 PolarHBondContact O-N 2.86Å |
| 37 | K | 95.9 | Very high | 94.6 | Very high | 95 Ų | 95 | 46.9 Ų | 46.9 | 41% | 0.413 | 23% | 0.231 | S | C | . | . | trans | -67.5 | 127.3 | -178.3 | -160.4 | 172.7 | -150.3 | 173.9 | 0 | 110.8 | Q30 A34 E35 F39 F368 | Q30-K37 WeakPolarHBondContact O-CE 3.42Å; Q30-K37 WeakPolarHBondContact O-CG 3.2Å; A34-K37 WeakPolarHBondContact O-CB 3.42Å; A34-K37 PolarHBondContact O-N 3.21Å; E35-K37 VanDerWaalsContact C-N 3.34Å; K37-F39 HydrophobicContact CD-CE2 3.66Å; K37-F39 HydrophobicContact CD-CZ 4.2Å; K37-F39 HydrophobicContact CG-CD2 4.3Å; K37-F39 HydrophobicContact CG-CE2 3.62Å; K37-F39 HydrophobicContact CG-CZ 4.24Å; K37-F368 WeakPolarHBondContact O-CE2 3.32Å; K37-F368 WeakPolarHBondContact O-CZ 3.45Å | ||
| 38 | Y | 97.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | trans | -127.6 | 133.2 | -175 | -170.5 | -105.4 | 0 | 0 | 0 | 111.9 | F25 A29 Q30 G36 D42 L363 D364 F368 Y381 | F25-Y38 HydrophobicContact CD2-CD1 4.25Å; F25-Y38 AromaticContact CD2-CE1 3.55Å; F25-Y38 HydrophobicContact CD2-CE1 3.55Å; F25-Y38 AromaticContact CE2-CD1 3.77Å; F25-Y38 HydrophobicContact CE2-CD1 3.77Å; F25-Y38 AromaticContact CE2-CE1 3.41Å; F25-Y38 HydrophobicContact CE2-CE1 3.41Å; F25-Y38 VanDerWaalsContact CE2-CE1 3.41Å; F25-Y38 HydrophobicContact CZ-CD1 4.42Å; F25-Y38 HydrophobicContact CZ-CE1 4.44Å; A29-Y38 PolarHBondContact O-N 3.34Å; Q30-Y38 WeakPolarHBondContact CA-O 3.48Å; Q30-Y38 PolarHBondContact N-O 2.89Å; G36-Y38 PolarHBondContact O-N 2.86Å; Y38-D42 HydrophobicContact CD2-CB 3.84Å; Y38-D42 HydrophobicContact CE2-CB 3.63Å; Y38-L363 HydrophobicContact CE1-CB 4.14Å; Y38-L363 WeakPolarHBondContact OH-CB 3.44Å; Y38-D364 HydrophobicContact CD1-CB 3.56Å; Y38-D364 HydrophobicContact CD2-CB 4.04Å; Y38-D364 HydrophobicContact CE1-CB 4.1Å; Y38-D364 HydrophobicContact CG-CB 3.51Å; Y38-F368 HydrophobicContact CD2-CB 4.28Å; Y38-F368 AromaticContact CD2-CD1 3.86Å; Y38-F368 HydrophobicContact CD2-CD1 3.86Å; Y38-F368 AromaticContact CD2-CD2 3.54Å; Y38-F368 HydrophobicContact CD2-CD2 3.54Å; Y38-F368 HydrophobicContact CD2-CE1 4.02Å; Y38-F368 AromaticContact CD2-CE2 3.66Å; Y38-F368 HydrophobicContact CD2-CE2 3.66Å; Y38-F368 AromaticContact CD2-CG 3.65Å; Y38-F368 HydrophobicContact CD2-CG 3.65Å; Y38-F368 AromaticContact CD2-CZ 3.92Å; Y38-F368 HydrophobicContact CD2-CZ 3.92Å; Y38-F368 HydrophobicContact CE2-CB 3.88Å; Y38-F368 HydrophobicContact CE2-CD1 4.24Å; Y38-F368 AromaticContact CE2-CD2 3.88Å; Y38-F368 HydrophobicContact CE2-CD2 3.88Å; Y38-F368 HydrophobicContact CE2-CE2 4.45Å; Y38-F368 AromaticContact CE2-CG 3.77Å; Y38-F368 HydrophobicContact CE2-CG 3.77Å; Y38-Y381 HydrophobicContact CE2-CE1 4.15Å; Y38-Y381 WeakPolarHBondContact CE2-OH 3.46Å; Y38-Y381 PolarHBondContact OH-OH 3.32Å | ||
| 39 | F | 97.7 | Very high | 94.4 | Very high | 32 Ų | 32 | 43.6 Ų | 43.6 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | trans | -133 | 165.6 | 175.1 | -69.8 | -76.2 | 0 | 0 | 0 | 111.3 | Q30 K37 E41 D42 R74 L75 | Q30-F39 HydrophobicContact CB-CD1 4.11Å; Q30-F39 HydrophobicContact CB-CE1 3.49Å; Q30-F39 VanDerWaalsContact CB-CE1 3.49Å; Q30-F39 HydrophobicContact CB-CZ 3.92Å; K37-F39 HydrophobicContact CD-CE2 3.66Å; K37-F39 HydrophobicContact CD-CZ 4.2Å; K37-F39 HydrophobicContact CG-CD2 4.3Å; K37-F39 HydrophobicContact CG-CE2 3.62Å; K37-F39 HydrophobicContact CG-CZ 4.24Å; F39-E41 VanDerWaalsContact CB-OE2 3.27Å; F39-E41 WeakPolarHBondContact CB-OE2 3.33Å; F39-E41 PolarHBondContact O-N 2.97Å; F39-E41 VanDerWaalsContact O-N 3.12Å; F39-D42 PolarHBondContact N-OD2 3.49Å; F39-D42 WeakPolarHBondContact O-CB 3.47Å; F39-D42 PolarHBondContact O-N 3.2Å; F39-R74 VanDerWaalsContact CE1-CZ 3.43Å; F39-L75 HydrophobicContact CD1-CD2 4.13Å | ||
| 40 | P | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -54.1 | -31.8 | 173.9 | -26.8 | 37.2 | 0 | 0 | 0 | 112.7 | F25 D42 Y43 L75 A78 L79 F82 | F25-P40 HydrophobicContact CE1-CG 4.49Å; F25-P40 HydrophobicContact CE2-CB 4.39Å; F25-P40 HydrophobicContact CE2-CG 3.88Å; F25-P40 HydrophobicContact CZ-CG 3.65Å; P40-D42 PolarHBondContact O-N 3.05Å; P40-Y43 WeakPolarHBondContact O-CB 3.45Å; P40-Y43 PolarHBondContact O-N 3.42Å; P40-Y43 VanDerWaalsContact O-N 3.09Å; P40-L75 HydrophobicContact CG-CD2 4.19Å; P40-A78 HydrophobicContact CB-CB 3.82Å; P40-A78 HydrophobicContact CG-CB 3.95Å; P40-L79 HydrophobicContact CB-CB 4.4Å; P40-L79 HydrophobicContact CB-CD1 4.5Å; P40-F82 HydrophobicContact CB-CE2 4.29Å; P40-F82 WeakPolarHBondContact O-CE2 3.26Å; P40-F82 WeakPolarHBondContact O-CZ 3.5Å |
| 41 | E | 95.7 | Very high | 94.5 | Very high | 110 Ų | 110 | 44.5 Ų | 44.5 | 51% | 0.514 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -64.3 | -19 | 177.6 | -66.1 | 77.8 | -164.8 | 0 | 0 | 114.7 | F39 Y43 | F39-E41 VanDerWaalsContact CB-OE2 3.27Å; F39-E41 WeakPolarHBondContact CB-OE2 3.33Å; F39-E41 PolarHBondContact O-N 2.97Å; F39-E41 VanDerWaalsContact O-N 3.12Å; E41-Y43 VanDerWaalsContact C-N 3.31Å |
| 42 | D | 96.6 | Very high | 94.6 | Very high | 36 Ų | 36 | 39.5 Ų | 39.5 | 19% | 0.193 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -76.5 | -21.9 | 175.1 | -64.8 | -62.3 | 0 | 0 | 0 | 112.2 | Y38 F39 P40 F368 Y381 | Y38-D42 HydrophobicContact CD2-CB 3.84Å; Y38-D42 HydrophobicContact CE2-CB 3.63Å; F39-D42 PolarHBondContact N-OD2 3.49Å; F39-D42 WeakPolarHBondContact O-CB 3.47Å; F39-D42 PolarHBondContact O-N 3.2Å; P40-D42 PolarHBondContact O-N 3.05Å; D42-F368 HydrophobicContact CB-CD2 4.05Å; D42-Y381 VanDerWaalsContact C-OH 3.28Å; D42-Y381 PolarHBondContact O-OH 3.01Å; D42-Y381 VanDerWaalsContact O-OH 3.05Å |
| 43 | Y | 95.9 | Very high | 94.8 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 4% | 0.043 | 20% | 0.199 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 134.9 | -176.9 | -176.1 | -110.1 | 0 | 0 | 0 | 112.9 | P40 E41 L47 C48 F82 L363 Y381 | P40-Y43 WeakPolarHBondContact O-CB 3.45Å; P40-Y43 PolarHBondContact O-N 3.42Å; P40-Y43 VanDerWaalsContact O-N 3.09Å; E41-Y43 VanDerWaalsContact C-N 3.31Å; Y43-L47 HydrophobicContact CE2-CB 4.15Å; Y43-L47 HydrophobicContact CE2-CD1 4.18Å; Y43-C48 PolarHBondContact OH-N 3.36Å; Y43-C48 PolarHBondContact OH-O 3.05Å; Y43-F82 HydrophobicContact CD1-CD1 4.12Å; Y43-F82 HydrophobicContact CD1-CD2 4.02Å; Y43-F82 HydrophobicContact CD1-CE1 4.12Å; Y43-F82 HydrophobicContact CD1-CE2 4.05Å; Y43-F82 HydrophobicContact CD1-CG 4.05Å; Y43-F82 HydrophobicContact CD1-CZ 4.08Å; Y43-L363 HydrophobicContact CD2-CD1 3.93Å; Y43-L363 HydrophobicContact CD2-CD2 4.22Å; Y43-L363 HydrophobicContact CE2-CD1 4.05Å; Y43-L363 HydrophobicContact CE2-CD2 4.06Å; Y43-Y381 VanDerWaalsContact CA-OH 3.29Å; Y43-Y381 WeakPolarHBondContact CA-OH 3.47Å; Y43-Y381 PolarHBondContact N-OH 3.12Å |
| 44 | V | 94.3 | Very high | 95.2 | Very high | 58 Ų | 58 | 32.1 Ų | 32.1 | 35% | 0.352 | 17% | 0.169 | S | C | . | . | P | Polyproline II helix | trans | -97.4 | 127.1 | 172.4 | 174.7 | 0 | 0 | 0 | 0 | 109.3 | L47 K380 Y381 | V44-L47 HydrophobicContact CB-CD1 3.92Å; V44-L47 HydrophobicContact CB-CG 4.17Å; V44-L47 HydrophobicContact CG1-CG 4.41Å; V44-L47 VanDerWaalsContact O-CG 3.32Å; V44-L47 WeakPolarHBondContact O-CG 3.36Å; V44-K380 HydrophobicContact CG2-CB 4.37Å; V44-K380 HydrophobicContact CG2-CD 3.93Å; V44-Y381 HydrophobicContact CB-CD2 4.38Å; V44-Y381 HydrophobicContact CB-CE2 4.25Å; V44-Y381 HydrophobicContact CG2-CD2 4.12Å; V44-Y381 HydrophobicContact CG2-CE2 3.88Å |
| 45 | V | 92.4 | Very high | 95.8 | Very high | 53 Ų | 53 | 30 Ų | 30 | 32% | 0.321 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | 148.2 | -179.6 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | L47 F82 Q86 | V45-L47 PolarHBondContact O-N 3.28Å; V45-F82 HydrophobicContact CG2-CD1 3.67Å; V45-F82 HydrophobicContact CG2-CE1 4.01Å; V45-Q86 HydrophobicContact CG1-CB 3.75Å; V45-Q86 HydrophobicContact CG1-CG 4.48Å |
| 46 | D | 91.2 | Very high | 96.3 | Very high | 63 Ų | 63 | 25.8 Ų | 25.8 | 34% | 0.337 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 17.5 | 174.7 | -174.4 | 34.7 | 0 | 0 | 0 | 114.1 | R21 K388 | R21-D46 PolarHBondContact NH1-O 3.05Å; R21-D46 IonicContact NH1-OD1 2.63Å; R21-D46 IonicContact NH2-OD1 2.67Å; D46-K388 WeakPolarHBondContact O-CD 3.35Å; D46-K388 WeakPolarHBondContact O-CE 3.43Å; D46-K388 PolarHBondContact O-NZ 3.25Å; D46-K388 IonicContact OD1-NZ 2.79Å; D46-K388 VanDerWaalsContact OD2-CE 3.28Å; D46-K388 WeakPolarHBondContact OD2-CE 3.49Å; D46-K388 IonicContact OD2-NZ 3.06Å; D46-K388 PolarHBondContact OD2-NZ 3.03Å |
| 47 | L | 93.7 | Very high | 96.5 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -68.5 | -44.8 | 166.4 | -74.7 | 177.9 | 0 | 0 | 0 | 111.1 | R21 Y43 V44 V45 Y381 V384 | R21-L47 PolarHBondContact NH1-O 2.82Å; Y43-L47 HydrophobicContact CE2-CB 4.15Å; Y43-L47 HydrophobicContact CE2-CD1 4.18Å; V44-L47 HydrophobicContact CB-CD1 3.92Å; V44-L47 HydrophobicContact CB-CG 4.17Å; V44-L47 HydrophobicContact CG1-CG 4.41Å; V44-L47 VanDerWaalsContact O-CG 3.32Å; V44-L47 WeakPolarHBondContact O-CG 3.36Å; V45-L47 PolarHBondContact O-N 3.28Å; L47-Y381 HydrophobicContact CD1-CD1 4.19Å; L47-Y381 HydrophobicContact CD1-CD2 3.59Å; L47-Y381 HydrophobicContact CD1-CE2 4.01Å; L47-Y381 HydrophobicContact CD1-CG 3.68Å; L47-V384 HydrophobicContact CB-CG1 4.02Å; L47-V384 HydrophobicContact CD1-CG1 4.32Å; L47-V384 HydrophobicContact CD2-CG1 4.38Å; L47-V384 HydrophobicContact CG-CG1 4.49Å |
| 48 | C | 95.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -139.1 | 149.5 | -171 | -20.5 | 0 | 0 | 0 | 0 | 108.9 | R21 C23 Y43 Q86 | R21-C48 WeakPolarHBondContact O-CB 3.28Å; C23-C48 HydrophobicContact CB-CB 3.68Å; C23-C48 WeakPolarHBondContact CB-SG 3.4Å; C23-C48 WeakPolarHBondContact SG-CB 3.33Å; C23-C48 CovalentContact SG-SG 2Å; C23-C48 PolarHBondContact SG-SG 3.22Å; Y43-C48 PolarHBondContact OH-N 3.36Å; Y43-C48 PolarHBondContact OH-O 3.05Å; C48-Q86 PolarHBondContact O-NE2 2.86Å | ||
| 49 | E | 94.8 | Very high | 96.6 | Very high | 21 Ų | 21 | 28.6 Ų | 28.6 | 10% | 0.098 | 14% | 0.143 | C | C | . | . | S | Bend | trans | -100.7 | -17.6 | 176.3 | 68.9 | -147.7 | -152.4 | 0 | 0 | 111.9 | V20 R21 L89 K90 | V20-E49 VanDerWaalsContact CA-OE1 3.28Å; V20-E49 WeakPolarHBondContact CA-OE1 3.23Å; R21-E49 HydrophobicContact CB-CG 4.42Å; R21-E49 IonicContact CZ-OE2 2.95Å; R21-E49 PolarHBondContact N-OE1 3.33Å; R21-E49 IonicContact NE-OE2 3.51Å; R21-E49 PolarHBondContact NE-OE2 3.3Å; R21-E49 IonicContact NH2-OE2 2.63Å; R21-E49 PolarHBondContact NH2-OE2 3.11Å; R21-E49 PolarHBondContact O-N 2.86Å; E49-L89 CarbonylContact O-C 3.56Å; E49-L89 WeakPolarHBondContact O-CA 3.34Å; E49-K90 PolarHBondContact O-N 2.85Å |
| 50 | Y | 98 | Very high | 96.6 | Very high | 30 Ų | 30 | 31.2 Ų | 31.2 | 12% | 0.118 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124.5 | 167.3 | -61.7 | -90.8 | 0 | 0 | 0 | 109.7 | V20 R21 G22 C23 K90 L92 Y173 F200 | V20-Y50 HydrophobicContact CG1-CD2 3.76Å; V20-Y50 HydrophobicContact CG1-CE2 4.07Å; V20-Y50 HydrophobicContact CG2-CE2 4.24Å; R21-Y50 PolarHBondContact O-N 3.08Å; R21-Y50 VanDerWaalsContact O-N 3.09Å; G22-Y50 CarbonylContact C-O 3.55Å; G22-Y50 WeakPolarHBondContact CA-O 3.39Å; C23-Y50 PolarHBondContact N-O 2.76Å; Y50-K90 CarbonylContact C-O 3.58Å; Y50-K90 WeakPolarHBondContact CA-O 3.49Å; Y50-K90 HydrophobicContact CD1-CB 3.7Å; Y50-K90 HydrophobicContact CD1-CG 4.23Å; Y50-K90 HydrophobicContact CE1-CB 3.88Å; Y50-K90 HydrophobicContact CE1-CG 3.91Å; Y50-L92 HydrophobicContact CD1-CD1 4.03Å; Y50-Y173 AromaticContact CE1-CD1 3.74Å; Y50-Y173 HydrophobicContact CE1-CD1 3.74Å; Y50-Y173 AromaticContact CE1-CE1 3.7Å; Y50-Y173 HydrophobicContact CE1-CE1 3.7Å; Y50-Y173 HydrophobicContact CE1-CG 4.26Å; Y50-Y173 AromaticContact CZ-CE1 3.96Å; Y50-Y173 VanDerWaalsContact OH-CE1 3.3Å; Y50-Y173 WeakPolarHBondContact OH-CE1 3.43Å; Y50-F200 HydrophobicContact CD1-CE1 4.05Å; Y50-F200 AromaticContact CD1-CZ 3.93Å; Y50-F200 HydrophobicContact CD1-CZ 3.93Å; Y50-F200 HydrophobicContact CD2-CE1 4.24Å; Y50-F200 HydrophobicContact CD2-CZ 4.13Å; Y50-F200 AromaticContact CE1-CE1 3.83Å; Y50-F200 HydrophobicContact CE1-CE1 3.83Å; Y50-F200 HydrophobicContact CE1-CZ 4.2Å; Y50-F200 HydrophobicContact CE2-CE1 4.03Å; Y50-F200 HydrophobicContact CE2-CZ 4.39Å; Y50-F200 HydrophobicContact CG-CE1 4.26Å; Y50-F200 AromaticContact CG-CZ 3.9Å; Y50-F200 HydrophobicContact CG-CZ 3.9Å; Y50-F200 AromaticContact CZ-CE1 3.83Å |
| 51 | V | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 126.6 | 169.8 | 174.6 | 0 | 0 | 0 | 0 | 108.9 | C23 F25 L79 L89 K90 V91 L92 | C23-V51 CarbonylContact O-C 3.59Å; C23-V51 VanDerWaalsContact O-CA 3.29Å; C23-V51 WeakPolarHBondContact O-CA 3.41Å; F25-V51 HydrophobicContact CB-CG1 4Å; V51-L79 HydrophobicContact CG1-CD1 4.29Å; V51-L79 HydrophobicContact CG1-CD2 3.9Å; V51-L89 HydrophobicContact CG2-CD1 3.85Å; V51-K90 PolarHBondContact N-O 2.88Å; V51-V91 CarbonylContact O-C 3.57Å; V51-V91 WeakPolarHBondContact O-CA 3.44Å; V51-L92 PolarHBondContact O-N 3.39Å |
| 52 | F | 98.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 113 | -179.7 | -55.3 | -77.8 | 0 | 0 | 0 | 109 | C23 Y24 F25 A54 L92 S94 D135 T175 F200 N202 | C23-F52 PolarHBondContact O-N 3.18Å; Y24-F52 WeakPolarHBondContact CA-O 3.39Å; Y24-F52 HydrophobicContact CD1-CB 3.44Å; Y24-F52 VanDerWaalsContact CD1-CB 3.44Å; Y24-F52 HydrophobicContact CD1-CG 4.28Å; Y24-F52 HydrophobicContact CD2-CB 4.26Å; Y24-F52 AromaticContact CD2-CD2 3.85Å; Y24-F52 HydrophobicContact CD2-CD2 3.85Å; Y24-F52 HydrophobicContact CD2-CG 4.37Å; Y24-F52 HydrophobicContact CE1-CB 3.44Å; Y24-F52 VanDerWaalsContact CE1-CB 3.44Å; Y24-F52 HydrophobicContact CE1-CD2 4.39Å; Y24-F52 AromaticContact CE1-CG 3.98Å; Y24-F52 HydrophobicContact CE1-CG 3.98Å; Y24-F52 HydrophobicContact CE2-CB 4.25Å; Y24-F52 AromaticContact CE2-CD2 3.67Å; Y24-F52 HydrophobicContact CE2-CD2 3.67Å; Y24-F52 HydrophobicContact CE2-CE2 4.28Å; Y24-F52 HydrophobicContact CE2-CG 4.06Å; Y24-F52 HydrophobicContact CG-CB 3.87Å; Y24-F52 HydrophobicContact CG-CD2 4.28Å; Y24-F52 HydrophobicContact CG-CG 4.47Å; Y24-F52 AromaticContact CZ-CD2 3.96Å; Y24-F52 AromaticContact CZ-CG 3.85Å; F25-F52 PolarHBondContact N-O 3.12Å; F52-A54 PolarHBondContact O-N 3.42Å; F52-L92 HydrophobicContact CD1-CB 4Å; F52-L92 HydrophobicContact CD1-CD2 4.3Å; F52-L92 HydrophobicContact CE1-CB 4.43Å; F52-L92 HydrophobicContact CE1-CD2 3.93Å; F52-S94 WeakPolarHBondContact CB-OG 3.43Å; F52-D135 HydrophobicContact CD1-CB 3.79Å; F52-D135 HydrophobicContact CE1-CB 4.35Å; F52-T175 HydrophobicContact CE1-CG2 4.41Å; F52-F200 HydrophobicContact CE1-CE2 4.3Å; F52-F200 HydrophobicContact CE1-CZ 4.35Å; F52-F200 AromaticContact CZ-CE2 3.75Å; F52-F200 HydrophobicContact CZ-CE2 3.75Å; F52-F200 AromaticContact CZ-CZ 3.88Å; F52-F200 HydrophobicContact CZ-CZ 3.88Å; F52-N202 WeakPolarHBondContact CE2-ND2 3.46Å; F52-N202 WeakPolarHBondContact CZ-ND2 3.1Å |
| 53 | Y | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 105.1 | 179.2 | -167.6 | -74.7 | 0 | 0 | 0 | 110.4 | F25 N27 D71 L75 Y76 L79 L92 S94 F131 | F25-Y53 AromaticContact CD1-CD2 3.77Å; F25-Y53 HydrophobicContact CD1-CD2 3.77Å; F25-Y53 AromaticContact CD1-CE2 3.68Å; F25-Y53 HydrophobicContact CD1-CE2 3.68Å; F25-Y53 HydrophobicContact CD1-CG 4.49Å; F25-Y53 HydrophobicContact CE1-CD2 4.24Å; F25-Y53 AromaticContact CE1-CE2 3.68Å; F25-Y53 HydrophobicContact CE1-CE2 3.68Å; N27-Y53 HydrophobicContact CB-CE1 3.66Å; N27-Y53 VanDerWaalsContact CB-OH 3.26Å; N27-Y53 WeakPolarHBondContact CB-OH 3.35Å; Y53-D71 PolarHBondContact OH-OD1 2.94Å; Y53-L75 HydrophobicContact CE2-CB 4.19Å; Y53-L75 WeakPolarHBondContact OH-CB 3.45Å; Y53-L75 VanDerWaalsContact OH-CD1 3.23Å; Y53-L75 WeakPolarHBondContact OH-CD1 3.31Å; Y53-Y76 HydrophobicContact CD1-CD1 4.37Å; Y53-Y76 AromaticContact CD1-CE1 3.73Å; Y53-Y76 HydrophobicContact CD1-CE1 3.73Å; Y53-Y76 HydrophobicContact CD2-CD1 4.06Å; Y53-Y76 HydrophobicContact CD2-CE1 4.24Å; Y53-Y76 HydrophobicContact CE1-CD1 4.05Å; Y53-Y76 AromaticContact CE1-CE1 3.36Å; Y53-Y76 HydrophobicContact CE1-CE1 3.36Å; Y53-Y76 AromaticContact CE2-CD1 3.66Å; Y53-Y76 HydrophobicContact CE2-CD1 3.66Å; Y53-Y76 AromaticContact CE2-CE1 3.88Å; Y53-Y76 HydrophobicContact CE2-CE1 3.88Å; Y53-Y76 HydrophobicContact CG-CD1 4.39Å; Y53-Y76 HydrophobicContact CG-CE1 4.16Å; Y53-Y76 AromaticContact CZ-CD1 3.63Å; Y53-Y76 AromaticContact CZ-CE1 3.41Å; Y53-Y76 VanDerWaalsContact CZ-CE1 3.41Å; Y53-L79 HydrophobicContact CD2-CD2 3.74Å; Y53-L79 HydrophobicContact CE2-CD2 4.47Å; Y53-L92 PolarHBondContact N-O 2.94Å; Y53-S94 WeakPolarHBondContact O-CB 3.28Å; Y53-S94 PolarHBondContact O-N 2.87Å; Y53-F131 HydrophobicContact CG-CE1 4.33Å; Y53-F131 HydrophobicContact CG-CZ 4.46Å |
| 54 | A | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 119.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | Y24 F25 T26 N27 W28 F52 W361 | Y24-A54 HydrophobicContact CD1-CB 4.18Å; F25-A54 WeakPolarHBondContact O-CB 3.24Å; F25-A54 PolarHBondContact O-N 3.1Å; T26-A54 WeakPolarHBondContact CA-O 3.3Å; T26-A54 HydrophobicContact CG2-CB 4.4Å; N27-A54 PolarHBondContact N-O 3.06Å; N27-A54 PolarHBondContact OD1-O 3.45Å; W28-A54 HydrophobicContact CH2-CB 4.35Å; W28-A54 HydrophobicContact CZ3-CB 4.2Å; F52-A54 PolarHBondContact O-N 3.42Å; A54-W361 HydrophobicContact CB-CH2 4.31Å; A54-W361 HydrophobicContact CB-CZ3 4.27Å |
| 55 | F | 98.5 | Very high | 97.2 | Very high | 24 Ų | 24 | 29.1 Ų | 29.1 | 11% | 0.105 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | cis | -133.4 | 155.6 | -11 | -63.8 | -81.9 | 0 | 0 | 0 | 110.5 | N27 W28 F67 S94 D137 W361 | N27-F55 PolarHBondContact ND2-O 3.32Å; W28-F55 HydrophobicContact CH2-CD2 4.09Å; W28-F55 AromaticContact CH2-CE2 3.81Å; W28-F55 HydrophobicContact CH2-CE2 3.81Å; W28-F55 AromaticContact CZ3-CD2 3.72Å; W28-F55 HydrophobicContact CZ3-CD2 3.72Å; W28-F55 AromaticContact CZ3-CE2 3.94Å; W28-F55 HydrophobicContact CZ3-CE2 3.94Å; F55-F67 WeakPolarHBondContact O-CB 3.48Å; F55-S94 WeakPolarHBondContact CA-O 3.44Å; F55-D137 HydrophobicContact CE1-CB 4.03Å; F55-D137 WeakPolarHBondContact CE1-OD2 3.35Å; F55-D137 WeakPolarHBondContact CZ-OD2 3.25Å; F55-W361 AromaticContact CE2-CH2 3.8Å; F55-W361 HydrophobicContact CE2-CH2 3.8Å; F55-W361 AromaticContact CZ-CH2 3.62Å; F55-W361 HydrophobicContact CZ-CH2 3.62Å; F55-W361 AromaticContact CZ-CZ3 3.97Å; F55-W361 HydrophobicContact CZ-CZ3 3.97Å |
| 56 | A | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 157.8 | 156.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V64 T65 L93 S94 I95 | A56-V64 HydrophobicContact CB-CG1 3.88Å; A56-T65 WeakPolarHBondContact CB-O 3.27Å; A56-L93 HydrophobicContact CB-CD1 3.68Å; A56-L93 HydrophobicContact CB-CD2 3.74Å; A56-L93 HydrophobicContact CB-CG 3.77Å; A56-S94 PolarHBondContact N-O 3.21Å; A56-I95 HydrophobicContact CB-CG1 4.12Å |
| 57 | K | 97.8 | Very high | 97.8 | Very high | 99 Ų | 99 | 31.1 Ų | 31.1 | 43% | 0.43 | 16% | 0.162 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 129.2 | 178.8 | -175.5 | 176.8 | 179.4 | 178.4 | 0 | 111.1 | V64 T65 F67 | K57-V64 WeakPolarHBondContact O-CA 3.25Å; K57-T65 HydrophobicContact CB-CG2 3.94Å; K57-T65 HydrophobicContact CD-CG2 4.21Å; K57-T65 HydrophobicContact CG-CG2 4.36Å; K57-T65 PolarHBondContact N-O 3.39Å; K57-T65 PolarHBondContact O-N 2.89Å; K57-F67 HydrophobicContact CB-CB 4.38Å; K57-F67 HydrophobicContact CB-CD2 3.91Å; K57-F67 HydrophobicContact CG-CD2 4.34Å |
| 58 | L | 98.2 | Very high | 98 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 11% | 0.11 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 112.2 | 164.2 | 178.7 | 58.3 | 0 | 0 | 0 | 109.6 | I95 V104 F105 L108 F118 | L58-I95 HydrophobicContact CB-CG2 3.87Å; L58-V104 HydrophobicContact CD2-CB 4.25Å; L58-V104 HydrophobicContact CD2-CG1 3.8Å; L58-V104 HydrophobicContact CG-CG1 3.76Å; L58-F105 HydrophobicContact CD2-CD1 3.95Å; L58-F105 HydrophobicContact CD2-CD2 4.4Å; L58-F105 HydrophobicContact CD2-CE1 3.9Å; L58-F105 HydrophobicContact CD2-CE2 4.37Å; L58-F105 HydrophobicContact CD2-CG 4.2Å; L58-F105 HydrophobicContact CD2-CZ 4.13Å; L58-L108 HydrophobicContact CD1-CD2 4.44Å; L58-L108 HydrophobicContact CD2-CD2 4.17Å; L58-F118 HydrophobicContact CD1-CD2 3.65Å; L58-F118 HydrophobicContact CD1-CE2 3.8Å |
| 59 | N | 98.1 | Very high | 98.1 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 19% | 0.193 | 20% | 0.201 | C | C | . | . | trans | -73.9 | 158.6 | 178.9 | -68.5 | -42.4 | 0 | 0 | 0 | 111.8 | D61 F62 T63 T65 V104 | N59-D61 VanDerWaalsContact CB-OD1 3.28Å; N59-D61 WeakPolarHBondContact CB-OD1 3.44Å; N59-D61 PolarHBondContact O-N 2.95Å; N59-D61 VanDerWaalsContact O-N 3.1Å; N59-F62 WeakPolarHBondContact O-CA 3.38Å; N59-F62 PolarHBondContact O-N 3.47Å; N59-T63 WeakPolarHBondContact CB-O 3.2Å; N59-T63 PolarHBondContact N-O 2.81Å; N59-T63 PolarHBondContact ND2-OG1 2.8Å; N59-T65 WeakPolarHBondContact ND2-CG2 3.47Å; N59-V104 WeakPolarHBondContact O-CG1 3.11Å | ||
| 60 | S | 97.3 | Very high | 98.3 | Very high | 87 Ų | 87 | 40.4 Ų | 40.4 | 61% | 0.608 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.5 | 177.8 | 56.1 | 0 | 0 | 0 | 0 | 113.9 | F62 | S60-F62 VanDerWaalsContact C-N 3.32Š|
| 61 | D | 97.9 | Very high | 98.3 | Very high | 66 Ų | 66 | 39 Ų | 39 | 35% | 0.353 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 10.1 | 176 | 87.8 | -38.6 | 0 | 0 | 0 | 112.9 | N59 T63 K117 | N59-D61 VanDerWaalsContact CB-OD1 3.28Å; N59-D61 WeakPolarHBondContact CB-OD1 3.44Å; N59-D61 PolarHBondContact O-N 2.95Å; N59-D61 VanDerWaalsContact O-N 3.1Å; D61-T63 VanDerWaalsContact C-N 3.28Å; D61-T63 PolarHBondContact O-N 3.21Å; D61-T63 WeakPolarHBondContact OD1-CB 3.49Å; D61-T63 PolarHBondContact OD1-N 3.37Å; D61-T63 VanDerWaalsContact OD1-N 3.13Å; D61-T63 PolarHBondContact OD1-OG1 3Å; D61-T63 WeakPolarHBondContact OD2-CG2 3.4Å; D61-K117 WeakPolarHBondContact O-CD 2.86Å; D61-K117 WeakPolarHBondContact O-CE 3.46Å; D61-K117 PolarHBondContact O-NZ 3.09Å; D61-K117 IonicContact OD2-NZ 2.65Å; D61-K117 PolarHBondContact OD2-NZ 2.79Å |
| 62 | F | 98.5 | Very high | 98.3 | Very high | 20 Ų | 20 | 41.4 Ų | 41.4 | 9% | 0.088 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 72.8 | 8.4 | 178.4 | -42.9 | -49.5 | 0 | 0 | 0 | 115.9 | N59 S60 V104 R107 L108 D114 F118 | N59-F62 WeakPolarHBondContact O-CA 3.38Å; N59-F62 PolarHBondContact O-N 3.47Å; S60-F62 VanDerWaalsContact C-N 3.32Å; F62-V104 HydrophobicContact CD1-CG1 3.94Å; F62-V104 HydrophobicContact CE1-CG1 4.06Å; F62-R107 HydrophobicContact CE1-CB 3.88Å; F62-R107 HydrophobicContact CZ-CB 3.77Å; F62-L108 HydrophobicContact CB-CD1 4.1Å; F62-L108 HydrophobicContact CD1-CB 3.64Å; F62-L108 HydrophobicContact CD1-CD1 4.38Å; F62-L108 HydrophobicContact CE1-CB 3.86Å; F62-L108 HydrophobicContact CG-CB 4.27Å; F62-L108 HydrophobicContact CG-CD1 4.19Å; F62-D114 HydrophobicContact CD2-CB 3.63Å; F62-D114 WeakPolarHBondContact CD2-OD1 3.4Å; F62-D114 HydrophobicContact CE2-CB 3.67Å; F62-D114 VanDerWaalsContact CE2-OD1 3.27Å; F62-D114 WeakPolarHBondContact CE2-OD1 3.44Å; F62-D114 HydrophobicContact CG-CB 4.42Å; F62-D114 HydrophobicContact CZ-CB 4.47Å; F62-F118 HydrophobicContact CB-CB 4.37Å; F62-F118 VanDerWaalsContact O-CA 3.24Å; F62-F118 WeakPolarHBondContact O-CA 3.5Å; F62-F118 WeakPolarHBondContact O-CB 3.44Å |
| 63 | T | 98.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 48 Ų | 48 | 22% | 0.221 | 24% | 0.239 | C | C | . | . | trans | -82.9 | 158.1 | 169.3 | 63.1 | 0 | 0 | 0 | 0 | 111.7 | N59 D61 S121 | N59-T63 WeakPolarHBondContact CB-O 3.2Å; N59-T63 PolarHBondContact N-O 2.81Å; N59-T63 PolarHBondContact ND2-OG1 2.8Å; D61-T63 VanDerWaalsContact C-N 3.28Å; D61-T63 PolarHBondContact O-N 3.21Å; D61-T63 WeakPolarHBondContact OD1-CB 3.49Å; D61-T63 PolarHBondContact OD1-N 3.37Å; D61-T63 VanDerWaalsContact OD1-N 3.13Å; D61-T63 PolarHBondContact OD1-OG1 3Å; D61-T63 WeakPolarHBondContact OD2-CG2 3.4Å; T63-S121 WeakPolarHBondContact CA-OG 3.34Å | ||
| 64 | V | 98.5 | Very high | 98.2 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 136.3 | 178.2 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | A56 K57 L93 I95 F118 S121 V122 F125 | A56-V64 HydrophobicContact CB-CG1 3.88Å; K57-V64 WeakPolarHBondContact O-CA 3.25Å; V64-L93 HydrophobicContact CG1-CD2 4.18Å; V64-I95 HydrophobicContact CB-CD1 4.22Å; V64-I95 HydrophobicContact CG1-CD1 3.59Å; V64-I95 HydrophobicContact CG1-CG1 4.32Å; V64-I95 HydrophobicContact CG2-CD1 3.54Å; V64-F118 HydrophobicContact CG2-CD2 3.85Å; V64-F118 HydrophobicContact CG2-CE2 3.58Å; V64-S121 PolarHBondContact N-OG 3.31Å; V64-V122 HydrophobicContact CG2-CG2 3.7Å; V64-F125 HydrophobicContact CG1-CD1 4.45Å; V64-F125 HydrophobicContact CG1-CG 4.44Å |
| 65 | T | 98.2 | Very high | 98.2 | Very high | 41 Ų | 41 | 52.9 Ų | 52.9 | 25% | 0.252 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 171 | 176.1 | -168 | 0 | 0 | 0 | 0 | 110.7 | A56 K57 N59 | A56-T65 WeakPolarHBondContact CB-O 3.27Å; K57-T65 HydrophobicContact CB-CG2 3.94Å; K57-T65 HydrophobicContact CD-CG2 4.21Å; K57-T65 HydrophobicContact CG-CG2 4.36Å; K57-T65 PolarHBondContact N-O 3.39Å; K57-T65 PolarHBondContact O-N 2.89Å; N59-T65 WeakPolarHBondContact ND2-CG2 3.47Å |
| 66 | N | 98.2 | Very high | 98.2 | Very high | 35 Ų | 35 | 51.9 Ų | 51.9 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 150.4 | 169.4 | 59 | -56.2 | 0 | 0 | 0 | 112.7 | E68 D71 I72 Y76 F125 | N66-E68 PolarHBondContact ND2-O 2.9Å; N66-D71 HydrophobicContact CB-CB 3.56Å; N66-I72 HydrophobicContact CB-CD1 4.1Å; N66-I72 HydrophobicContact CB-CG1 3.92Å; N66-I72 VanDerWaalsContact OD1-CD1 3.3Å; N66-I72 WeakPolarHBondContact OD1-CD1 3.5Å; N66-Y76 HydrophobicContact CB-CE2 4.44Å; N66-F125 HydrophobicContact CB-CZ 4.44Å |
| 67 | F | 98.1 | Very high | 98.2 | Very high | 122 Ų | 122 | 54.5 Ų | 54.5 | 54% | 0.535 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -91.1 | -47.7 | 176.5 | -164.1 | -79.9 | 0 | 0 | 0 | 110.6 | F55 K57 D71 | F55-F67 WeakPolarHBondContact O-CB 3.48Å; K57-F67 HydrophobicContact CB-CB 4.38Å; K57-F67 HydrophobicContact CB-CD2 3.91Å; K57-F67 HydrophobicContact CG-CD2 4.34Å; F67-D71 PolarHBondContact N-OD2 3.46Å |
| 68 | E | 98.1 | Very high | 98.2 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 12% | 0.121 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -93 | 147.1 | -179.4 | -63.1 | -63.3 | 160.4 | 0 | 0 | 111.8 | N27 Y31 N66 N70 D71 | N27-E68 HydrophobicContact CB-CG 4.07Å; N27-E68 WeakPolarHBondContact ND2-CG 3.49Å; Y31-E68 VanDerWaalsContact CE2-OE2 3.24Å; Y31-E68 WeakPolarHBondContact CE2-OE2 3.28Å; Y31-E68 VanDerWaalsContact CZ-OE2 3.3Å; Y31-E68 PolarHBondContact OH-OE2 3.13Å; N66-E68 PolarHBondContact ND2-O 2.9Å; E68-N70 PolarHBondContact O-N 2.86Å; E68-N70 VanDerWaalsContact O-N 3.1Å; E68-D71 WeakPolarHBondContact CB-OD1 3.27Å; E68-D71 PolarHBondContact N-OD2 2.92Å; E68-D71 WeakPolarHBondContact O-CB 3.4Å; E68-D71 PolarHBondContact O-N 3.43Å |
| 69 | W | 98.1 | Very high | 98.1 | Very high | 190 Ų | 190 | 49.1 Ų | 49.1 | 72% | 0.72 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.5 | -176.9 | 67.6 | -85.6 | 0 | 0 | 0 | 113.8 | Y31 | Y31-W69 PolarHBondContact OH-NE1 3.31Š|
| 70 | N | 98.2 | Very high | 98 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.021 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 7.6 | -177.8 | 67.4 | -8.4 | 0 | 0 | 0 | 114.3 | Q30 E68 R74 L75 | Q30-N70 PolarHBondContact NE2-OD1 3.47Å; Q30-N70 VanDerWaalsContact NE2-OD1 3.12Å; Q30-N70 PolarHBondContact OE1-ND2 2.94Å; Q30-N70 PolarHBondContact OE1-OD1 3.31Å; E68-N70 PolarHBondContact O-N 2.86Å; E68-N70 VanDerWaalsContact O-N 3.1Å; N70-R74 HydrophobicContact CB-CB 4.24Å; N70-R74 WeakPolarHBondContact O-CA 3.44Å; N70-R74 WeakPolarHBondContact O-CB 3.45Å; N70-R74 PolarHBondContact O-N 2.83Å; N70-L75 PolarHBondContact O-N 3.38Å; N70-L75 WeakPolarHBondContact OD1-CD1 3.39Å |
| 71 | D | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -54.9 | -55 | 176.8 | -87.2 | -14.9 | 0 | 0 | 0 | 110.9 | N27 Y53 N66 F67 E68 L75 Y76 | N27-D71 PolarHBondContact ND2-OD1 3.16Å; N27-D71 VanDerWaalsContact ND2-OD1 3.16Å; N27-D71 PolarHBondContact ND2-OD2 3.42Å; Y53-D71 PolarHBondContact OH-OD1 2.94Å; N66-D71 HydrophobicContact CB-CB 3.56Å; F67-D71 PolarHBondContact N-OD2 3.46Å; E68-D71 WeakPolarHBondContact CB-OD1 3.27Å; E68-D71 PolarHBondContact N-OD2 2.92Å; E68-D71 WeakPolarHBondContact O-CB 3.4Å; E68-D71 PolarHBondContact O-N 3.43Å; D71-L75 PolarHBondContact O-N 2.9Å; D71-Y76 HydrophobicContact CB-CD1 4.3Å; D71-Y76 HydrophobicContact CB-CE1 3.71Å; D71-Y76 HydrophobicContact CB-CE2 3.99Å; D71-Y76 WeakPolarHBondContact O-CD2 3.27Å; D71-Y76 PolarHBondContact O-N 3.1Å; D71-Y76 PolarHBondContact OD2-OH 3.06Å |
| 72 | I | 98.4 | Very high | 97.9 | Very high | 52 Ų | 52 | 48.9 Ų | 48.9 | 27% | 0.267 | 23% | 0.231 | S | C | . | . | I | π-helix | trans | -66.8 | -47.9 | -173.4 | -69.6 | 175.7 | 0 | 0 | 0 | 112.3 | N66 Y76 P77 | N66-I72 HydrophobicContact CB-CD1 4.1Å; N66-I72 HydrophobicContact CB-CG1 3.92Å; N66-I72 VanDerWaalsContact OD1-CD1 3.3Å; N66-I72 WeakPolarHBondContact OD1-CD1 3.5Å; I72-Y76 HydrophobicContact CG1-CD2 4.26Å; I72-Y76 HydrophobicContact CG1-CE2 3.92Å; I72-P77 WeakPolarHBondContact O-CD 3.17Å; I72-P77 VanDerWaalsContact O-CG 3.27Å; I72-P77 WeakPolarHBondContact O-CG 3.27Å |
| 73 | D | 97.8 | Very high | 97.7 | Very high | 139 Ų | 139 | 50.2 Ų | 50.2 | 74% | 0.743 | 24% | 0.237 | S | C | * | . | I | π-helix | trans | -90.3 | -15 | -169.5 | -62.9 | -40.2 | 0 | 0 | 0 | 113.3 | ||
| 74 | R | 98.2 | Very high | 97.4 | Very high | 100 Ų | 100 | 56.9 Ų | 56.9 | 38% | 0.377 | 26% | 0.263 | S | S | . | . | I | π-helix | trans | -130.8 | -61.1 | -176.1 | -175.5 | -174.9 | 171.9 | -154.8 | -6.7 | 113.7 | F39 N70 P77 A78 | F39-R74 VanDerWaalsContact CE1-CZ 3.43Å; N70-R74 HydrophobicContact CB-CB 4.24Å; N70-R74 WeakPolarHBondContact O-CA 3.44Å; N70-R74 WeakPolarHBondContact O-CB 3.45Å; N70-R74 PolarHBondContact O-N 2.83Å; R74-P77 WeakPolarHBondContact O-CD 3.34Å; R74-A78 WeakPolarHBondContact O-CB 3.16Å; R74-A78 PolarHBondContact O-N 3.33Å |
| 75 | L | 98.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | I | π-helix | trans | -73.4 | -45.1 | -166.7 | -58.6 | -178.7 | 0 | 0 | 0 | 112.8 | N27 F39 P40 Y53 N70 D71 A78 L79 | N27-L75 HydrophobicContact CB-CD1 4.06Å; F39-L75 HydrophobicContact CD1-CD2 4.13Å; P40-L75 HydrophobicContact CG-CD2 4.19Å; Y53-L75 HydrophobicContact CE2-CB 4.19Å; Y53-L75 WeakPolarHBondContact OH-CB 3.45Å; Y53-L75 VanDerWaalsContact OH-CD1 3.23Å; Y53-L75 WeakPolarHBondContact OH-CD1 3.31Å; N70-L75 PolarHBondContact O-N 3.38Å; N70-L75 WeakPolarHBondContact OD1-CD1 3.39Å; D71-L75 PolarHBondContact O-N 2.9Å; L75-A78 PolarHBondContact O-N 3.49Å; L75-L79 PolarHBondContact O-N 2.94Å |
| 76 | Y | 98.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 58.6 Ų | 58.6 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -52.2 | 175 | -50.1 | -27.3 | 0 | 0 | 0 | 110.9 | Y53 N66 D71 I72 A78 L79 M80 F125 H129 F131 | Y53-Y76 HydrophobicContact CD1-CD1 4.37Å; Y53-Y76 AromaticContact CD1-CE1 3.73Å; Y53-Y76 HydrophobicContact CD1-CE1 3.73Å; Y53-Y76 HydrophobicContact CD2-CD1 4.06Å; Y53-Y76 HydrophobicContact CD2-CE1 4.24Å; Y53-Y76 HydrophobicContact CE1-CD1 4.05Å; Y53-Y76 AromaticContact CE1-CE1 3.36Å; Y53-Y76 HydrophobicContact CE1-CE1 3.36Å; Y53-Y76 AromaticContact CE2-CD1 3.66Å; Y53-Y76 HydrophobicContact CE2-CD1 3.66Å; Y53-Y76 AromaticContact CE2-CE1 3.88Å; Y53-Y76 HydrophobicContact CE2-CE1 3.88Å; Y53-Y76 HydrophobicContact CG-CD1 4.39Å; Y53-Y76 HydrophobicContact CG-CE1 4.16Å; Y53-Y76 AromaticContact CZ-CD1 3.63Å; Y53-Y76 AromaticContact CZ-CE1 3.41Å; Y53-Y76 VanDerWaalsContact CZ-CE1 3.41Å; N66-Y76 HydrophobicContact CB-CE2 4.44Å; D71-Y76 HydrophobicContact CB-CD1 4.3Å; D71-Y76 HydrophobicContact CB-CE1 3.71Å; D71-Y76 HydrophobicContact CB-CE2 3.99Å; D71-Y76 WeakPolarHBondContact O-CD2 3.27Å; D71-Y76 PolarHBondContact O-N 3.1Å; D71-Y76 PolarHBondContact OD2-OH 3.06Å; I72-Y76 HydrophobicContact CG1-CD2 4.26Å; I72-Y76 HydrophobicContact CG1-CE2 3.92Å; Y76-A78 VanDerWaalsContact C-N 3.27Å; Y76-A78 PolarHBondContact O-N 2.62Å; Y76-L79 PolarHBondContact O-N 3.01Å; Y76-M80 WeakPolarHBondContact O-CB 3.06Å; Y76-M80 WeakPolarHBondContact O-CG 3.49Å; Y76-M80 PolarHBondContact O-N 3.33Å; Y76-F125 AromaticContact CE2-CE1 3.93Å; Y76-F125 HydrophobicContact CE2-CE1 3.93Å; Y76-F125 AromaticContact CE2-CZ 3.9Å; Y76-F125 HydrophobicContact CE2-CZ 3.9Å; Y76-H129 HydrophobicContact CD2-CB 4.02Å; Y76-H129 AromaticContact CD2-CG 3.91Å; Y76-F131 HydrophobicContact CD1-CE2 4.23Å; Y76-F131 AromaticContact CD1-CZ 3.64Å; Y76-F131 HydrophobicContact CD1-CZ 3.64Å; Y76-F131 HydrophobicContact CD2-CE2 4.04Å; Y76-F131 HydrophobicContact CD2-CZ 4.29Å; Y76-F131 HydrophobicContact CE1-CE2 4.38Å; Y76-F131 AromaticContact CE1-CZ 3.83Å; Y76-F131 HydrophobicContact CE1-CZ 3.83Å; Y76-F131 HydrophobicContact CE2-CE2 4.23Å; Y76-F131 HydrophobicContact CE2-CZ 4.47Å; Y76-F131 HydrophobicContact CG-CE2 4.05Å; Y76-F131 AromaticContact CG-CZ 3.88Å; Y76-F131 HydrophobicContact CG-CZ 3.88Å |
| 77 | P | 98.1 | Very high | 96.6 | Very high | 57 Ų | 57 | 66.9 Ų | 66.9 | 37% | 0.37 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.8 | -36.4 | 178.7 | -25.1 | 36.2 | 0 | 0 | 0 | 113.2 | I72 R74 K81 | I72-P77 WeakPolarHBondContact O-CD 3.17Å; I72-P77 VanDerWaalsContact O-CG 3.27Å; I72-P77 WeakPolarHBondContact O-CG 3.27Å; R74-P77 WeakPolarHBondContact O-CD 3.34Å; P77-K81 WeakPolarHBondContact O-CG 3.2Å; P77-K81 PolarHBondContact O-N 3.08Å |
| 78 | A | 97.8 | Very high | 96.3 | Very high | 7 Ų | 7 | 65 Ų | 65 | 6% | 0.058 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.3 | -45.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P40 R74 L75 Y76 K81 | P40-A78 HydrophobicContact CB-CB 3.82Å; P40-A78 HydrophobicContact CG-CB 3.95Å; R74-A78 WeakPolarHBondContact O-CB 3.16Å; R74-A78 PolarHBondContact O-N 3.33Å; L75-A78 PolarHBondContact O-N 3.49Å; Y76-A78 VanDerWaalsContact C-N 3.27Å; Y76-A78 PolarHBondContact O-N 2.62Å; A78-K81 WeakPolarHBondContact O-CB 3.42Å; A78-K81 PolarHBondContact O-N 3.15Å |
| 79 | L | 97.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.6 | -40 | 177.4 | -168.9 | 64.7 | 0 | 0 | 0 | 112 | P40 V51 Y53 L75 Y76 K81 F82 V91 | P40-L79 HydrophobicContact CB-CB 4.4Å; P40-L79 HydrophobicContact CB-CD1 4.5Å; V51-L79 HydrophobicContact CG1-CD1 4.29Å; V51-L79 HydrophobicContact CG1-CD2 3.9Å; Y53-L79 HydrophobicContact CD2-CD2 3.74Å; Y53-L79 HydrophobicContact CE2-CD2 4.47Å; L75-L79 PolarHBondContact O-N 2.94Å; Y76-L79 PolarHBondContact O-N 3.01Å; L79-K81 PolarHBondContact O-N 3.04Å; L79-F82 HydrophobicContact CD1-CD2 4.14Å; L79-F82 WeakPolarHBondContact O-CD2 3.23Å; L79-F82 PolarHBondContact O-N 3.27Å; L79-F82 VanDerWaalsContact O-N 3.13Å; L79-V91 HydrophobicContact CD2-CG1 3.61Å; L79-V91 HydrophobicContact CG-CG1 4.2Å |
| 80 | M | 96.3 | Very high | 96.2 | Very high | 22 Ų | 22 | 56.6 Ų | 56.6 | 11% | 0.108 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.2 | -22.6 | 178.6 | -67.4 | -58.3 | 167.7 | 0 | 0 | 113.2 | Y76 F82 K83 V91 H129 H130 F131 | Y76-M80 WeakPolarHBondContact O-CB 3.06Å; Y76-M80 WeakPolarHBondContact O-CG 3.49Å; Y76-M80 PolarHBondContact O-N 3.33Å; M80-F82 PolarHBondContact O-N 3.2Å; M80-K83 WeakPolarHBondContact O-CB 3.38Å; M80-K83 PolarHBondContact O-N 3.28Å; M80-K83 HydrophobicContact SD-CD 3.52Å; M80-K83 VanDerWaalsContact SD-CD 3.52Å; M80-V91 HydrophobicContact CE-CB 3.93Å; M80-V91 HydrophobicContact CE-CG1 3.76Å; M80-V91 HydrophobicContact SD-CB 4.09Å; M80-V91 HydrophobicContact SD-CG1 4.37Å; M80-V91 HydrophobicContact SD-CG2 4.29Å; M80-H129 WeakPolarHBondContact CE-O 3.47Å; M80-H130 HydrophobicContact SD-CB 4.43Å; M80-H130 VanDerWaalsContact SD-O 3.33Å; M80-F131 HydrophobicContact CE-CB 4.22Å; M80-F131 HydrophobicContact CE-CD1 3.42Å; M80-F131 VanDerWaalsContact CE-CD1 3.42Å; M80-F131 HydrophobicContact CE-CD2 3.91Å; M80-F131 HydrophobicContact CE-CE1 3.61Å; M80-F131 HydrophobicContact CE-CE2 4.08Å; M80-F131 HydrophobicContact CE-CG 3.57Å; M80-F131 HydrophobicContact CE-CZ 3.93Å |
| 81 | K | 96.2 | Very high | 96.2 | Very high | 130 Ų | 130 | 56.4 Ų | 56.4 | 57% | 0.565 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -32.8 | 174.1 | -75.6 | 167.1 | -171.2 | 174 | 0 | 112.1 | P77 A78 L79 K83 K84 | P77-K81 WeakPolarHBondContact O-CG 3.2Å; P77-K81 PolarHBondContact O-N 3.08Å; A78-K81 WeakPolarHBondContact O-CB 3.42Å; A78-K81 PolarHBondContact O-N 3.15Å; L79-K81 PolarHBondContact O-N 3.04Å; K81-K83 PolarHBondContact O-N 3.13Å; K81-K84 WeakPolarHBondContact O-CB 3.4Å; K81-K84 PolarHBondContact O-N 3.24Å |
| 82 | F | 96 | Very high | 96.2 | Very high | 31 Ų | 31 | 56.4 Ų | 56.4 | 14% | 0.136 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.2 | -23.7 | -179.3 | -66.8 | -68.3 | 0 | 0 | 0 | 113.5 | P40 Y43 V45 L79 M80 K84 S85 Q86 L89 | P40-F82 HydrophobicContact CB-CE2 4.29Å; P40-F82 WeakPolarHBondContact O-CE2 3.26Å; P40-F82 WeakPolarHBondContact O-CZ 3.5Å; Y43-F82 HydrophobicContact CD1-CD1 4.12Å; Y43-F82 HydrophobicContact CD1-CD2 4.02Å; Y43-F82 HydrophobicContact CD1-CE1 4.12Å; Y43-F82 HydrophobicContact CD1-CE2 4.05Å; Y43-F82 HydrophobicContact CD1-CG 4.05Å; Y43-F82 HydrophobicContact CD1-CZ 4.08Å; V45-F82 HydrophobicContact CG2-CD1 3.67Å; V45-F82 HydrophobicContact CG2-CE1 4.01Å; L79-F82 HydrophobicContact CD1-CD2 4.14Å; L79-F82 WeakPolarHBondContact O-CD2 3.23Å; L79-F82 PolarHBondContact O-N 3.27Å; L79-F82 VanDerWaalsContact O-N 3.13Å; M80-F82 PolarHBondContact O-N 3.2Å; F82-K84 PolarHBondContact O-N 2.97Å; F82-K84 VanDerWaalsContact O-N 3.15Å; F82-S85 PolarHBondContact O-N 2.79Å; F82-S85 VanDerWaalsContact O-N 3.08Å; F82-S85 PolarHBondContact O-OG 2.68Å; F82-Q86 PolarHBondContact O-N 2.72Å; F82-L89 HydrophobicContact CB-CD2 3.68Å |
| 83 | K | 94.4 | Very high | 96.2 | Very high | 49 Ų | 49 | 54 Ų | 54 | 21% | 0.213 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.3 | -21.1 | 172.9 | -62.2 | 173.9 | 63 | 160.6 | 0 | 112.7 | M80 K81 L89 V91 H130 D132 | M80-K83 WeakPolarHBondContact O-CB 3.38Å; M80-K83 PolarHBondContact O-N 3.28Å; M80-K83 HydrophobicContact SD-CD 3.52Å; M80-K83 VanDerWaalsContact SD-CD 3.52Å; K81-K83 PolarHBondContact O-N 3.13Å; K83-L89 HydrophobicContact CG-CD2 4.2Å; K83-L89 HydrophobicContact CG-CG 4.42Å; K83-V91 HydrophobicContact CD-CG2 4.05Å; K83-V91 HydrophobicContact CG-CG2 4.09Å; K83-H130 PolarHBondContact NZ-O 2.94Å; K83-D132 VanDerWaalsContact CE-OD2 3.27Å; K83-D132 WeakPolarHBondContact CE-OD2 3.43Å; K83-D132 IonicContact NZ-OD1 2.72Å; K83-D132 PolarHBondContact NZ-OD1 3.2Å; K83-D132 IonicContact NZ-OD2 3.1Å; K83-D132 PolarHBondContact NZ-OD2 3.36Å |
| 84 | K | 92.2 | Very high | 96.2 | Very high | 176 Ų | 176 | 47.3 Ų | 47.3 | 77% | 0.765 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -76.7 | -38.2 | 174.4 | -61 | -177.7 | -179.9 | 179.9 | 0 | 111.8 | K81 F82 | K81-K84 WeakPolarHBondContact O-CB 3.4Å; K81-K84 PolarHBondContact O-N 3.24Å; F82-K84 PolarHBondContact O-N 2.97Å; F82-K84 VanDerWaalsContact O-N 3.15Å |
| 85 | S | 93.1 | Very high | 96.3 | Very high | 77 Ų | 77 | 42.6 Ų | 42.6 | 54% | 0.538 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -84.9 | -26.4 | 179.8 | 50 | 0 | 0 | 0 | 0 | 113.5 | F82 | F82-S85 PolarHBondContact O-N 2.79Å; F82-S85 VanDerWaalsContact O-N 3.08Å; F82-S85 PolarHBondContact O-OG 2.68Å |
| 86 | Q | 93.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 42.9 Ų | 42.9 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | trans | -127.8 | 100.3 | 178.2 | -178.1 | -177.4 | -10.7 | 0 | 0 | 108.9 | V45 C48 F82 D88 L89 | V45-Q86 HydrophobicContact CG1-CB 3.75Å; V45-Q86 HydrophobicContact CG1-CG 4.48Å; C48-Q86 PolarHBondContact O-NE2 2.86Å; F82-Q86 PolarHBondContact O-N 2.72Å; Q86-D88 VanDerWaalsContact C-N 3.29Å; Q86-D88 WeakPolarHBondContact CG-OD1 3.43Å; Q86-D88 PolarHBondContact O-N 3.09Å; Q86-L89 HydrophobicContact CB-CB 4.06Å; Q86-L89 HydrophobicContact CG-CB 3.85Å; Q86-L89 VanDerWaalsContact O-CB 3.29Å; Q86-L89 WeakPolarHBondContact O-CB 3.43Å; Q86-L89 PolarHBondContact O-N 2.8Å | ||
| 87 | R | 91.1 | Very high | 96.2 | Very high | 210 Ų | 210 | 42.9 Ų | 42.9 | 79% | 0.792 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -23.9 | -168.6 | -66 | -59.4 | -56.6 | -88.6 | -4 | 113.8 | ||
| 88 | D | 91.8 | Very high | 96.1 | Very high | 81 Ų | 81 | 48.7 Ų | 48.7 | 43% | 0.433 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -13.1 | 177.4 | 61.9 | -41.3 | 0 | 0 | 0 | 113 | Q86 K90 | Q86-D88 VanDerWaalsContact C-N 3.29Å; Q86-D88 WeakPolarHBondContact CG-OD1 3.43Å; Q86-D88 PolarHBondContact O-N 3.09Å; D88-K90 VanDerWaalsContact C-NZ 3.34Å; D88-K90 PolarHBondContact O-N 2.97Å; D88-K90 PolarHBondContact O-NZ 3.2Å |
| 89 | L | 96 | Very high | 96 | Very high | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | trans | -57.1 | 135.2 | 176.3 | -177.2 | 63.1 | 0 | 0 | 0 | 111.7 | E49 V51 F82 K83 Q86 V91 | E49-L89 CarbonylContact O-C 3.56Å; E49-L89 WeakPolarHBondContact O-CA 3.34Å; V51-L89 HydrophobicContact CG2-CD1 3.85Å; F82-L89 HydrophobicContact CB-CD2 3.68Å; K83-L89 HydrophobicContact CG-CD2 4.2Å; K83-L89 HydrophobicContact CG-CG 4.42Å; Q86-L89 HydrophobicContact CB-CB 4.06Å; Q86-L89 HydrophobicContact CG-CB 3.85Å; Q86-L89 VanDerWaalsContact O-CB 3.29Å; Q86-L89 WeakPolarHBondContact O-CB 3.43Å; Q86-L89 PolarHBondContact O-N 2.8Å; L89-V91 HydrophobicContact CD2-CG2 4.19Å; L89-V91 HydrophobicContact CG-CG2 4.14Å | ||
| 90 | K | 97.4 | Very high | 95.9 | Very high | 39 Ų | 39 | 58.2 Ų | 58.2 | 17% | 0.17 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 130.4 | 170.9 | -57.7 | -64.2 | 163.8 | -75.1 | 0 | 108.8 | E49 Y50 V51 D88 L92 D132 Y173 | E49-K90 PolarHBondContact O-N 2.85Å; Y50-K90 CarbonylContact C-O 3.58Å; Y50-K90 WeakPolarHBondContact CA-O 3.49Å; Y50-K90 HydrophobicContact CD1-CB 3.7Å; Y50-K90 HydrophobicContact CD1-CG 4.23Å; Y50-K90 HydrophobicContact CE1-CB 3.88Å; Y50-K90 HydrophobicContact CE1-CG 3.91Å; V51-K90 PolarHBondContact N-O 2.88Å; D88-K90 VanDerWaalsContact C-NZ 3.34Å; D88-K90 PolarHBondContact O-N 2.97Å; D88-K90 PolarHBondContact O-NZ 3.2Å; K90-L92 HydrophobicContact CB-CD1 3.95Å; K90-D132 WeakPolarHBondContact CA-OD2 3.19Å; K90-D132 HydrophobicContact CB-CB 4.11Å; K90-D132 HydrophobicContact CD-CB 3.86Å; K90-Y173 HydrophobicContact CD-CD2 4.27Å; K90-Y173 HydrophobicContact CD-CE2 3.61Å; K90-Y173 HydrophobicContact CG-CD2 4.41Å; K90-Y173 HydrophobicContact CG-CE2 3.9Å |
| 91 | V | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 112.4 | 178.4 | -174 | 0 | 0 | 0 | 0 | 107.9 | V51 L79 M80 K83 L89 F131 D132 | V51-V91 CarbonylContact O-C 3.57Å; V51-V91 WeakPolarHBondContact O-CA 3.44Å; L79-V91 HydrophobicContact CD2-CG1 3.61Å; L79-V91 HydrophobicContact CG-CG1 4.2Å; M80-V91 HydrophobicContact CE-CB 3.93Å; M80-V91 HydrophobicContact CE-CG1 3.76Å; M80-V91 HydrophobicContact SD-CB 4.09Å; M80-V91 HydrophobicContact SD-CG1 4.37Å; M80-V91 HydrophobicContact SD-CG2 4.29Å; K83-V91 HydrophobicContact CD-CG2 4.05Å; K83-V91 HydrophobicContact CG-CG2 4.09Å; L89-V91 HydrophobicContact CD2-CG2 4.19Å; L89-V91 HydrophobicContact CG-CG2 4.14Å; V91-F131 HydrophobicContact CG1-CD1 3.94Å; V91-F131 HydrophobicContact CG1-CE1 3.93Å; V91-F131 CarbonylContact O-C 3.58Å; V91-F131 WeakPolarHBondContact O-CA 3.24Å; V91-F131 WeakPolarHBondContact O-CD1 3.18Å; V91-D132 PolarHBondContact N-OD2 3.11Å; V91-D132 PolarHBondContact O-N 3.22Å |
| 92 | L | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 145.1 | -179.1 | -80.4 | 66.3 | 0 | 0 | 0 | 109.6 | Y50 V51 F52 Y53 K90 D132 D135 T175 | Y50-L92 HydrophobicContact CD1-CD1 4.03Å; V51-L92 PolarHBondContact O-N 3.39Å; F52-L92 HydrophobicContact CD1-CB 4Å; F52-L92 HydrophobicContact CD1-CD2 4.3Å; F52-L92 HydrophobicContact CE1-CB 4.43Å; F52-L92 HydrophobicContact CE1-CD2 3.93Å; Y53-L92 PolarHBondContact N-O 2.94Å; K90-L92 HydrophobicContact CB-CD1 3.95Å; L92-D132 HydrophobicContact CD1-CB 4.48Å; L92-D135 HydrophobicContact CB-CB 4.46Å; L92-T175 HydrophobicContact CD2-CG2 3.76Å |
| 93 | L | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 120 | 172.9 | -173.6 | 70.7 | 0 | 0 | 0 | 109.1 | A56 V64 I95 F125 I126 F131 G133 D135 | A56-L93 HydrophobicContact CB-CD1 3.68Å; A56-L93 HydrophobicContact CB-CD2 3.74Å; A56-L93 HydrophobicContact CB-CG 3.77Å; V64-L93 HydrophobicContact CG1-CD2 4.18Å; L93-I95 HydrophobicContact CD2-CD1 4.5Å; L93-I95 HydrophobicContact CD2-CG1 4.48Å; L93-F125 HydrophobicContact CD1-CE1 4.47Å; L93-F125 HydrophobicContact CD2-CD1 3.59Å; L93-F125 HydrophobicContact CD2-CE1 3.87Å; L93-I126 HydrophobicContact CB-CG2 4.15Å; L93-I126 HydrophobicContact CD2-CG2 4.06Å; L93-F131 HydrophobicContact CB-CD1 3.87Å; L93-F131 HydrophobicContact CB-CD2 4.35Å; L93-F131 HydrophobicContact CB-CE1 4.13Å; L93-F131 HydrophobicContact CB-CG 4Å; L93-F131 HydrophobicContact CB-CZ 4.48Å; L93-F131 HydrophobicContact CD1-CD1 4.42Å; L93-F131 HydrophobicContact CD1-CD2 4.43Å; L93-F131 HydrophobicContact CD1-CE1 3.87Å; L93-F131 HydrophobicContact CD1-CE2 3.87Å; L93-F131 HydrophobicContact CD1-CZ 3.57Å; L93-G133 PolarHBondContact N-O 2.92Å; L93-G133 VanDerWaalsContact N-O 3.09Å; L93-D135 PolarHBondContact O-N 3.44Å |
| 94 | S | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 134.6 | 173.4 | -60.5 | 0 | 0 | 0 | 0 | 110.9 | Y24 F52 Y53 F55 A56 D135 | Y24-S94 WeakPolarHBondContact CE1-OG 3.23Å; F52-S94 WeakPolarHBondContact CB-OG 3.43Å; Y53-S94 WeakPolarHBondContact O-CB 3.28Å; Y53-S94 PolarHBondContact O-N 2.87Å; F55-S94 WeakPolarHBondContact CA-O 3.44Å; A56-S94 PolarHBondContact N-O 3.21Å; S94-D135 VanDerWaalsContact CA-O 3.29Å; S94-D135 WeakPolarHBondContact CA-O 3.25Å; S94-D135 WeakPolarHBondContact OG-CB 3.3Å; S94-D135 PolarHBondContact OG-OD2 2.89Å |
| 95 | I | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 125.7 | 176.6 | -58 | 179.8 | 0 | 0 | 0 | 109 | A56 L58 V64 L93 F105 F118 V122 L134 D135 D137 | A56-I95 HydrophobicContact CB-CG1 4.12Å; L58-I95 HydrophobicContact CB-CG2 3.87Å; V64-I95 HydrophobicContact CB-CD1 4.22Å; V64-I95 HydrophobicContact CG1-CD1 3.59Å; V64-I95 HydrophobicContact CG1-CG1 4.32Å; V64-I95 HydrophobicContact CG2-CD1 3.54Å; L93-I95 HydrophobicContact CD2-CD1 4.5Å; L93-I95 HydrophobicContact CD2-CG1 4.48Å; I95-F105 HydrophobicContact CG2-CZ 4.27Å; I95-F118 HydrophobicContact CD1-CE2 4.03Å; I95-F118 HydrophobicContact CD1-CZ 4.16Å; I95-V122 HydrophobicContact CD1-CG2 4.04Å; I95-L134 HydrophobicContact CB-CD1 4.43Å; I95-L134 HydrophobicContact CD1-CD1 3.48Å; I95-L134 VanDerWaalsContact CD1-CD1 3.48Å; I95-L134 HydrophobicContact CG1-CD1 3.78Å; I95-D135 PolarHBondContact N-O 3.44Å; I95-D137 PolarHBondContact O-N 2.97Å |
| 96 | G | 98 | Very high | 96.8 | Very high | 8 Ų | 8 | 45.8 Ų | 45.8 | 8% | 0.082 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 122.5 | -121.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A100 D137 | G96-A100 WeakPolarHBondContact O-CB 3.3Å; G96-D137 CarbonylContact C-O 3.32Å; G96-D137 VanDerWaalsContact CA-O 3.29Å; G96-D137 WeakPolarHBondContact CA-O 3.36Å |
| 97 | G | 97.2 | Very high | 97 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 4% | 0.041 | 26% | 0.257 | C | S | . | . | trans | 79.3 | 161.3 | -170 | 0 | 0 | 0 | 0 | 0 | 112.1 | N99 A100 D137 | G97-N99 VanDerWaalsContact C-N 3.25Å; G97-N99 PolarHBondContact O-N 3.28Å; G97-A100 WeakPolarHBondContact O-CB 3.03Å; G97-A100 PolarHBondContact O-N 2.96Å; G97-D137 WeakPolarHBondContact CA-OD2 3.45Å; G97-D137 PolarHBondContact N-O 2.5Å | ||
| 98 | W | 96.1 | Very high | 97.3 | Very high | 178 Ų | 178 | 41.3 Ų | 41.3 | 67% | 0.674 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -39.7 | -48.3 | -178.5 | -176.8 | -105.7 | 0 | 0 | 0 | 115 | A100 G101 E139 | W98-A100 VanDerWaalsContact C-N 3.3Å; W98-A100 PolarHBondContact O-N 3.32Å; W98-G101 PolarHBondContact O-N 3.16Å; W98-E139 PolarHBondContact N-OE1 3.32Å |
| 99 | N | 95 | Very high | 97.6 | Very high | 160 Ų | 160 | 37.5 Ų | 37.5 | 86% | 0.856 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -72.8 | -15.8 | -175.2 | -71.7 | -24.2 | 0 | 0 | 0 | 114.5 | G97 G101 | G97-N99 VanDerWaalsContact C-N 3.25Å; G97-N99 PolarHBondContact O-N 3.28Å; N99-G101 PolarHBondContact O-N 2.93Å |
| 100 | A | 95.7 | Very high | 97.7 | Very high | 48 Ų | 48 | 43.2 Ų | 43.2 | 40% | 0.397 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -70.8 | -23.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | G96 G97 W98 | G96-A100 WeakPolarHBondContact O-CB 3.3Å; G97-A100 WeakPolarHBondContact O-CB 3.03Å; G97-A100 PolarHBondContact O-N 2.96Å; W98-A100 VanDerWaalsContact C-N 3.3Å; W98-A100 PolarHBondContact O-N 3.32Å |
| 101 | G | 96.1 | Very high | 97.7 | Very high | 32 Ų | 32 | 43.1 Ų | 43.1 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | trans | 60.2 | -172.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | W98 N99 | W98-G101 PolarHBondContact O-N 3.16Å; N99-G101 PolarHBondContact O-N 2.93Å | ||
| 102 | T | 97.6 | Very high | 97.7 | Very high | 46 Ų | 46 | 49.4 Ų | 49.4 | 28% | 0.282 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -102.9 | -18.4 | -171.6 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | V104 F105 K106 E139 | T102-V104 PolarHBondContact O-N 2.97Å; T102-F105 PolarHBondContact O-N 2.68Å; T102-K106 WeakPolarHBondContact O-CB 3.49Å; T102-K106 VanDerWaalsContact O-CG 3.25Å; T102-K106 WeakPolarHBondContact O-CG 3.42Å; T102-K106 PolarHBondContact O-N 2.7Å; T102-E139 WeakPolarHBondContact CG2-O 3.04Å |
| 103 | S | 97.9 | Very high | 97.7 | Very high | 74 Ų | 74 | 52.5 Ų | 52.5 | 52% | 0.517 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | -166.3 | 66.4 | 0 | 0 | 0 | 0 | 114.1 | R107 | S103-R107 WeakPolarHBondContact O-CG 3.29Å; S103-R107 PolarHBondContact O-N 3.16Å |
| 104 | V | 98.1 | Very high | 97.7 | Very high | 23 Ų | 23 | 54.9 Ų | 54.9 | 14% | 0.139 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73.3 | -41.7 | -178.8 | -174 | 0 | 0 | 0 | 0 | 110.7 | L58 N59 F62 T102 K106 R107 L108 | L58-V104 HydrophobicContact CD2-CB 4.25Å; L58-V104 HydrophobicContact CD2-CG1 3.8Å; L58-V104 HydrophobicContact CG-CG1 3.76Å; N59-V104 WeakPolarHBondContact O-CG1 3.11Å; F62-V104 HydrophobicContact CD1-CG1 3.94Å; F62-V104 HydrophobicContact CE1-CG1 4.06Å; T102-V104 PolarHBondContact O-N 2.97Å; V104-K106 PolarHBondContact O-N 3.38Å; V104-R107 PolarHBondContact O-N 3.5Å; V104-L108 VanDerWaalsContact O-CB 3.23Å; V104-L108 WeakPolarHBondContact O-CB 3.15Å; V104-L108 PolarHBondContact O-N 3.29Å |
| 105 | F | 98.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 55.8 Ų | 55.8 | 1% | 0.013 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 174.1 | -80 | -69.2 | 0 | 0 | 0 | 112.5 | L58 I95 T102 R107 L108 A109 L136 W138 | L58-F105 HydrophobicContact CD2-CD1 3.95Å; L58-F105 HydrophobicContact CD2-CD2 4.4Å; L58-F105 HydrophobicContact CD2-CE1 3.9Å; L58-F105 HydrophobicContact CD2-CE2 4.37Å; L58-F105 HydrophobicContact CD2-CG 4.2Å; L58-F105 HydrophobicContact CD2-CZ 4.13Å; I95-F105 HydrophobicContact CG2-CZ 4.27Å; T102-F105 PolarHBondContact O-N 2.68Å; F105-R107 PolarHBondContact O-N 2.56Å; F105-L108 PolarHBondContact O-N 2.84Å; F105-A109 WeakPolarHBondContact O-CB 3.16Å; F105-A109 PolarHBondContact O-N 3.47Å; F105-L136 HydrophobicContact CE1-CD2 4.47Å; F105-W138 HydrophobicContact CB-CD2 3.47Å; F105-W138 VanDerWaalsContact CB-CD2 3.47Å; F105-W138 HydrophobicContact CB-CE3 3.91Å; F105-W138 HydrophobicContact CB-CG 3.84Å; F105-W138 HydrophobicContact CB-CH2 4.13Å; F105-W138 HydrophobicContact CB-CZ2 3.76Å; F105-W138 HydrophobicContact CB-CZ3 4.21Å; F105-W138 HydrophobicContact CD1-CB 4.16Å; F105-W138 HydrophobicContact CD1-CD2 4.1Å; F105-W138 HydrophobicContact CD1-CE3 4.14Å; F105-W138 HydrophobicContact CD1-CG 4.11Å; F105-W138 HydrophobicContact CD2-CB 4.12Å; F105-W138 AromaticContact CD2-CD1 3.85Å; F105-W138 HydrophobicContact CD2-CD2 4.41Å; F105-W138 AromaticContact CD2-CG 3.87Å; F105-W138 HydrophobicContact CD2-CG 3.87Å; F105-W138 HydrophobicContact CE1-CB 4.22Å; F105-W138 HydrophobicContact CE2-CB 4.17Å; F105-W138 HydrophobicContact CE2-CG 4.41Å; F105-W138 HydrophobicContact CG-CB 4.12Å; F105-W138 AromaticContact CG-CD1 3.97Å; F105-W138 AromaticContact CG-CD2 3.78Å; F105-W138 HydrophobicContact CG-CD2 3.78Å; F105-W138 HydrophobicContact CG-CE3 4.23Å; F105-W138 AromaticContact CG-CG 3.69Å; F105-W138 HydrophobicContact CG-CG 3.69Å; F105-W138 HydrophobicContact CZ-CB 4.22Å |
| 106 | K | 98.4 | Very high | 97.7 | Very high | 47 Ų | 47 | 60.7 Ų | 60.7 | 20% | 0.204 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56 | -51.4 | 176.3 | -74.3 | 175.4 | 169.9 | -70.3 | 0 | 111.6 | T102 V104 A109 Q110 W138 D142 D145 | T102-K106 WeakPolarHBondContact O-CB 3.49Å; T102-K106 VanDerWaalsContact O-CG 3.25Å; T102-K106 WeakPolarHBondContact O-CG 3.42Å; T102-K106 PolarHBondContact O-N 2.7Å; V104-K106 PolarHBondContact O-N 3.38Å; K106-A109 PolarHBondContact O-N 3.48Å; K106-Q110 VanDerWaalsContact O-CG 3.25Å; K106-Q110 WeakPolarHBondContact O-CG 3.29Å; K106-Q110 PolarHBondContact O-N 3.35Å; K106-W138 HydrophobicContact CG-CZ2 3.82Å; K106-D142 IonicContact NZ-OD1 3.88Å; K106-D142 IonicContact NZ-OD2 3.04Å; K106-D142 PolarHBondContact NZ-OD2 2.92Å; K106-D145 IonicContact NZ-OD1 2.72Å; K106-D145 IonicContact NZ-OD2 3.75Å; K106-D145 PolarHBondContact NZ-OD2 2.98Å |
| 107 | R | 98.4 | Very high | 97.7 | Very high | 123 Ų | 123 | 64.4 Ų | 64.4 | 46% | 0.464 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 179 | -66.8 | -167.9 | -54.3 | -145.1 | 3.6 | 112.3 | F62 S103 V104 F105 A109 Q110 | F62-R107 HydrophobicContact CE1-CB 3.88Å; F62-R107 HydrophobicContact CZ-CB 3.77Å; S103-R107 WeakPolarHBondContact O-CG 3.29Å; S103-R107 PolarHBondContact O-N 3.16Å; V104-R107 PolarHBondContact O-N 3.5Å; F105-R107 PolarHBondContact O-N 2.56Å; R107-A109 PolarHBondContact O-N 2.89Å; R107-Q110 PolarHBondContact O-N 3.22Å |
| 108 | L | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.2 | -48.6 | 177.4 | 161.8 | 59.3 | 0 | 0 | 0 | 111.7 | L58 F62 V104 F105 Q110 D114 R115 F118 | L58-L108 HydrophobicContact CD1-CD2 4.44Å; L58-L108 HydrophobicContact CD2-CD2 4.17Å; F62-L108 HydrophobicContact CB-CD1 4.1Å; F62-L108 HydrophobicContact CD1-CB 3.64Å; F62-L108 HydrophobicContact CD1-CD1 4.38Å; F62-L108 HydrophobicContact CE1-CB 3.86Å; F62-L108 HydrophobicContact CG-CB 4.27Å; F62-L108 HydrophobicContact CG-CD1 4.19Å; V104-L108 VanDerWaalsContact O-CB 3.23Å; V104-L108 WeakPolarHBondContact O-CB 3.15Å; V104-L108 PolarHBondContact O-N 3.29Å; F105-L108 PolarHBondContact O-N 2.84Å; L108-Q110 PolarHBondContact O-N 2.83Å; L108-D114 VanDerWaalsContact CD1-C 3.46Å; L108-D114 HydrophobicContact CD1-CB 4.26Å; L108-D114 WeakPolarHBondContact CD1-O 3.29Å; L108-R115 WeakPolarHBondContact O-CG 3.46Å; L108-F118 HydrophobicContact CD1-CB 3.33Å; L108-F118 HydrophobicContact CD1-CD1 4.37Å; L108-F118 HydrophobicContact CD1-CG 3.93Å; L108-F118 HydrophobicContact CD2-CB 3.96Å; L108-F118 HydrophobicContact CD2-CD1 3.88Å; L108-F118 HydrophobicContact CD2-CD2 3.81Å; L108-F118 HydrophobicContact CD2-CE1 4.3Å; L108-F118 HydrophobicContact CD2-CE2 4.25Å; L108-F118 HydrophobicContact CD2-CG 3.6Å; L108-F118 HydrophobicContact CD2-CZ 4.47Å; L108-F118 HydrophobicContact CG-CB 4.29Å; L108-F118 HydrophobicContact CG-CG 4.41Å |
| 109 | A | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.3 | -26.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F105 K106 R107 S111 R115 W138 N148 | F105-A109 WeakPolarHBondContact O-CB 3.16Å; F105-A109 PolarHBondContact O-N 3.47Å; K106-A109 PolarHBondContact O-N 3.48Å; R107-A109 PolarHBondContact O-N 2.89Å; A109-S111 VanDerWaalsContact C-N 3.34Å; A109-S111 PolarHBondContact O-N 3.29Å; A109-R115 PolarHBondContact O-NH1 2.9Å; A109-W138 HydrophobicContact CB-CH2 3.89Å; A109-W138 HydrophobicContact CB-CZ3 3.87Å; A109-N148 HydrophobicContact CB-CB 3.79Å; A109-N148 VanDerWaalsContact O-CB 3.3Å; A109-N148 WeakPolarHBondContact O-CB 3.2Å |
| 110 | Q | 97.1 | Very high | 98.1 | Very high | 123 Ų | 123 | 50.9 Ų | 50.9 | 58% | 0.575 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27 | -171.5 | -81.2 | 170.7 | -14.9 | 0 | 0 | 115.5 | K106 R107 L108 | K106-Q110 VanDerWaalsContact O-CG 3.25Å; K106-Q110 WeakPolarHBondContact O-CG 3.29Å; K106-Q110 PolarHBondContact O-N 3.35Å; R107-Q110 PolarHBondContact O-N 3.22Å; L108-Q110 PolarHBondContact O-N 2.83Å |
| 111 | S | 97.7 | Very high | 98.3 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 26% | 0.259 | 26% | 0.263 | S | S | . | . | trans | -129.5 | 143.1 | -174 | 98.8 | 0 | 0 | 0 | 0 | 112.6 | A109 A113 D114 R115 | A109-S111 VanDerWaalsContact C-N 3.34Å; A109-S111 PolarHBondContact O-N 3.29Å; S111-A113 PolarHBondContact O-N 3.48Å; S111-A113 PolarHBondContact OG-N 3.45Å; S111-D114 WeakPolarHBondContact CB-OD2 3.3Å; S111-D114 PolarHBondContact O-N 3.46Å; S111-D114 WeakPolarHBondContact OG-CB 3.34Å; S111-D114 PolarHBondContact OG-N 2.86Å; S111-D114 PolarHBondContact OG-OD2 3.38Å; S111-R115 VanDerWaalsContact O-CG 3.3Å; S111-R115 WeakPolarHBondContact O-CG 3.38Å; S111-R115 PolarHBondContact O-N 3.25Å | ||
| 112 | F | 98.5 | Very high | 98.4 | Very high | 131 Ų | 131 | 48.1 Ų | 48.1 | 58% | 0.575 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -58.2 | -38.2 | 174.9 | 175 | -94.9 | 0 | 0 | 0 | 112.2 | K116 E155 | F112-K116 HydrophobicContact CE1-CD 4.39Å; F112-K116 VanDerWaalsContact O-CB 3.25Å; F112-K116 WeakPolarHBondContact O-CB 3.46Å; F112-K116 PolarHBondContact O-N 2.77Å; F112-E155 WeakPolarHBondContact CD2-OE1 3.32Å |
| 113 | A | 98.7 | Very high | 98.4 | Very high | 66 Ų | 66 | 46.1 Ų | 46.1 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.6 | -42.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S111 K116 K117 | S111-A113 PolarHBondContact O-N 3.48Å; S111-A113 PolarHBondContact OG-N 3.45Å; A113-K116 PolarHBondContact O-N 3.45Å; A113-K117 PolarHBondContact O-N 2.99Å |
| 114 | D | 98.7 | Very high | 98.4 | Very high | 49 Ų | 49 | 46.3 Ų | 46.3 | 26% | 0.262 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -72.4 | -43 | -179.6 | -62 | -40.5 | 0 | 0 | 0 | 111.3 | F62 L108 S111 K116 K117 F118 | F62-D114 HydrophobicContact CD2-CB 3.63Å; F62-D114 WeakPolarHBondContact CD2-OD1 3.4Å; F62-D114 HydrophobicContact CE2-CB 3.67Å; F62-D114 VanDerWaalsContact CE2-OD1 3.27Å; F62-D114 WeakPolarHBondContact CE2-OD1 3.44Å; F62-D114 HydrophobicContact CG-CB 4.42Å; F62-D114 HydrophobicContact CZ-CB 4.47Å; L108-D114 VanDerWaalsContact CD1-C 3.46Å; L108-D114 HydrophobicContact CD1-CB 4.26Å; L108-D114 WeakPolarHBondContact CD1-O 3.29Å; S111-D114 WeakPolarHBondContact CB-OD2 3.3Å; S111-D114 PolarHBondContact O-N 3.46Å; S111-D114 WeakPolarHBondContact OG-CB 3.34Å; S111-D114 PolarHBondContact OG-N 2.86Å; S111-D114 PolarHBondContact OG-OD2 3.38Å; D114-K116 VanDerWaalsContact C-N 3.32Å; D114-K116 PolarHBondContact O-N 2.79Å; D114-K117 WeakPolarHBondContact O-CB 3.25Å; D114-K117 PolarHBondContact O-N 3.23Å; D114-K117 VanDerWaalsContact O-N 3.16Å; D114-F118 PolarHBondContact O-N 3.42Å |
| 115 | R | 98.8 | Very high | 98.4 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 8% | 0.075 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56 | -47.7 | 171.4 | -67.8 | -167.9 | -52.9 | -97.7 | 5.3 | 111.1 | L108 A109 S111 K117 F118 I119 L152 E155 | L108-R115 WeakPolarHBondContact O-CG 3.46Å; A109-R115 PolarHBondContact O-NH1 2.9Å; S111-R115 VanDerWaalsContact O-CG 3.3Å; S111-R115 WeakPolarHBondContact O-CG 3.38Å; S111-R115 PolarHBondContact O-N 3.25Å; R115-K117 PolarHBondContact O-N 3.12Å; R115-F118 PolarHBondContact O-N 2.84Å; R115-I119 HydrophobicContact CB-CD1 4.48Å; R115-I119 WeakPolarHBondContact O-CB 3.49Å; R115-I119 WeakPolarHBondContact O-CD1 3.47Å; R115-I119 WeakPolarHBondContact O-CG1 3.15Å; R115-I119 PolarHBondContact O-N 2.69Å; R115-L152 HydrophobicContact CB-CD1 4.18Å; R115-L152 HydrophobicContact CG-CB 4.42Å; R115-L152 HydrophobicContact CG-CD1 4.06Å; R115-E155 VanDerWaalsContact CB-OE2 3.25Å; R115-E155 WeakPolarHBondContact CB-OE2 3.02Å; R115-E155 IonicContact CZ-OE1 3.7Å; R115-E155 IonicContact CZ-OE2 2.64Å; R115-E155 VanDerWaalsContact NE-CD 3.3Å; R115-E155 IonicContact NE-OE1 3.81Å; R115-E155 PolarHBondContact NE-OE1 3.47Å; R115-E155 VanDerWaalsContact NE-OE1 3.16Å; R115-E155 IonicContact NE-OE2 2.63Å; R115-E155 PolarHBondContact NE-OE2 3.03Å; R115-E155 IonicContact NH2-OE1 3.51Å; R115-E155 PolarHBondContact NH2-OE1 3.28Å; R115-E155 IonicContact NH2-OE2 2.71Å |
| 116 | K | 98.8 | Very high | 98.4 | Very high | 102 Ų | 102 | 46 Ų | 46 | 44% | 0.443 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 175.9 | -175.4 | -176.7 | -179.9 | -59.6 | 0 | 112 | F112 A113 D114 F118 I119 D120 | F112-K116 HydrophobicContact CE1-CD 4.39Å; F112-K116 VanDerWaalsContact O-CB 3.25Å; F112-K116 WeakPolarHBondContact O-CB 3.46Å; F112-K116 PolarHBondContact O-N 2.77Å; A113-K116 PolarHBondContact O-N 3.45Å; D114-K116 VanDerWaalsContact C-N 3.32Å; D114-K116 PolarHBondContact O-N 2.79Å; K116-F118 PolarHBondContact O-N 2.85Å; K116-I119 PolarHBondContact O-N 2.83Å; K116-D120 IonicContact NZ-OD2 3.06Å; K116-D120 PolarHBondContact NZ-OD2 2.85Å; K116-D120 WeakPolarHBondContact O-CB 3.5Å; K116-D120 PolarHBondContact O-N 3.42Å |
| 117 | K | 98.8 | Very high | 98.3 | Very high | 87 Ų | 87 | 47.6 Ų | 47.6 | 38% | 0.378 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.8 | -46.9 | 178.3 | -174.4 | -179.3 | 178.8 | -165.7 | 0 | 111.3 | D61 A113 D114 R115 S121 | D61-K117 WeakPolarHBondContact O-CD 2.86Å; D61-K117 WeakPolarHBondContact O-CE 3.46Å; D61-K117 PolarHBondContact O-NZ 3.09Å; D61-K117 IonicContact OD2-NZ 2.65Å; D61-K117 PolarHBondContact OD2-NZ 2.79Å; A113-K117 PolarHBondContact O-N 2.99Å; D114-K117 WeakPolarHBondContact O-CB 3.25Å; D114-K117 PolarHBondContact O-N 3.23Å; D114-K117 VanDerWaalsContact O-N 3.16Å; R115-K117 PolarHBondContact O-N 3.12Å; K117-S121 PolarHBondContact O-N 2.83Å; K117-S121 VanDerWaalsContact O-N 3.07Å |
| 118 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.6 | -48.4 | 175.1 | 168.9 | -106 | 0 | 0 | 0 | 112.4 | L58 F62 V64 I95 L108 D114 R115 K116 D120 S121 V122 L136 L152 L156 | L58-F118 HydrophobicContact CD1-CD2 3.65Å; L58-F118 HydrophobicContact CD1-CE2 3.8Å; F62-F118 HydrophobicContact CB-CB 4.37Å; F62-F118 VanDerWaalsContact O-CA 3.24Å; F62-F118 WeakPolarHBondContact O-CA 3.5Å; F62-F118 WeakPolarHBondContact O-CB 3.44Å; V64-F118 HydrophobicContact CG2-CD2 3.85Å; V64-F118 HydrophobicContact CG2-CE2 3.58Å; I95-F118 HydrophobicContact CD1-CE2 4.03Å; I95-F118 HydrophobicContact CD1-CZ 4.16Å; L108-F118 HydrophobicContact CD1-CB 3.33Å; L108-F118 HydrophobicContact CD1-CD1 4.37Å; L108-F118 HydrophobicContact CD1-CG 3.93Å; L108-F118 HydrophobicContact CD2-CB 3.96Å; L108-F118 HydrophobicContact CD2-CD1 3.88Å; L108-F118 HydrophobicContact CD2-CD2 3.81Å; L108-F118 HydrophobicContact CD2-CE1 4.3Å; L108-F118 HydrophobicContact CD2-CE2 4.25Å; L108-F118 HydrophobicContact CD2-CG 3.6Å; L108-F118 HydrophobicContact CD2-CZ 4.47Å; L108-F118 HydrophobicContact CG-CB 4.29Å; L108-F118 HydrophobicContact CG-CG 4.41Å; D114-F118 PolarHBondContact O-N 3.42Å; R115-F118 PolarHBondContact O-N 2.84Å; K116-F118 PolarHBondContact O-N 2.85Å; F118-D120 VanDerWaalsContact C-N 3.33Å; F118-D120 PolarHBondContact O-N 3.22Å; F118-S121 CarbonylContact O-C 3.51Å; F118-S121 WeakPolarHBondContact O-CA 3.41Å; F118-S121 WeakPolarHBondContact O-CB 3.43Å; F118-S121 PolarHBondContact O-N 2.85Å; F118-S121 VanDerWaalsContact O-N 3.1Å; F118-V122 HydrophobicContact CD1-CG2 4.24Å; F118-V122 HydrophobicContact CD2-CG2 4Å; F118-V122 HydrophobicContact CE1-CG2 3.84Å; F118-V122 HydrophobicContact CE2-CG2 3.57Å; F118-V122 HydrophobicContact CG-CG2 4.32Å; F118-V122 HydrophobicContact CZ-CG2 3.49Å; F118-V122 VanDerWaalsContact CZ-CG2 3.49Å; F118-V122 WeakPolarHBondContact O-CG2 3.29Å; F118-V122 PolarHBondContact O-N 2.87Å; F118-L136 HydrophobicContact CE1-CD2 4.4Å; F118-L136 HydrophobicContact CZ-CD2 4.08Å; F118-L152 HydrophobicContact CD1-CD1 3.86Å; F118-L152 HydrophobicContact CE1-CD1 4.12Å; F118-L156 HydrophobicContact CE1-CD1 4.36Å; F118-L156 HydrophobicContact CE1-CD2 4.49Å |
| 119 | I | 98.9 | Very high | 98.2 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.036 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.6 | -44.8 | -179.9 | -71.7 | 166.5 | 0 | 0 | 0 | 111.2 | R115 K116 S121 V122 V123 L152 E155 L156 R159 | R115-I119 HydrophobicContact CB-CD1 4.48Å; R115-I119 WeakPolarHBondContact O-CB 3.49Å; R115-I119 WeakPolarHBondContact O-CD1 3.47Å; R115-I119 WeakPolarHBondContact O-CG1 3.15Å; R115-I119 PolarHBondContact O-N 2.69Å; K116-I119 PolarHBondContact O-N 2.83Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 3.42Å; I119-V122 PolarHBondContact O-N 2.93Å; I119-V123 WeakPolarHBondContact O-CG2 3.43Å; I119-V123 PolarHBondContact O-N 2.85Å; I119-L152 HydrophobicContact CD1-CD1 4.34Å; I119-L152 HydrophobicContact CG1-CD1 4.36Å; I119-E155 HydrophobicContact CD1-CB 3.44Å; I119-E155 VanDerWaalsContact CD1-CB 3.44Å; I119-L156 HydrophobicContact CB-CD2 4.43Å; I119-L156 HydrophobicContact CD1-CG 4.21Å; I119-L156 HydrophobicContact CG1-CD2 3.7Å; I119-L156 HydrophobicContact CG1-CG 3.79Å; I119-L156 HydrophobicContact CG2-CD2 4.44Å; I119-R159 HydrophobicContact CG2-CB 3.65Å; I119-R159 HydrophobicContact CG2-CG 3.42Å; I119-R159 VanDerWaalsContact CG2-CG 3.42Å |
| 120 | D | 98.6 | Very high | 98.1 | Very high | 50 Ų | 50 | 54.8 Ų | 54.8 | 27% | 0.267 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 177.2 | -73.4 | -26.2 | 0 | 0 | 0 | 111.5 | K116 F118 S124 R159 | K116-D120 IonicContact NZ-OD2 3.06Å; K116-D120 PolarHBondContact NZ-OD2 2.85Å; K116-D120 WeakPolarHBondContact O-CB 3.5Å; K116-D120 PolarHBondContact O-N 3.42Å; F118-D120 VanDerWaalsContact C-N 3.33Å; F118-D120 PolarHBondContact O-N 3.22Å; D120-S124 WeakPolarHBondContact O-CB 3.41Å; D120-S124 PolarHBondContact O-N 2.92Å; D120-S124 PolarHBondContact O-OG 3.04Å; D120-R159 IonicContact OD1-NE 2.73Å |
| 121 | S | 98.8 | Very high | 98.1 | Very high | 23 Ų | 23 | 49.2 Ų | 49.2 | 16% | 0.161 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 174.8 | -169.3 | 0 | 0 | 0 | 0 | 112.1 | T63 V64 K117 F118 I119 S124 F125 | T63-S121 WeakPolarHBondContact CA-OG 3.34Å; V64-S121 PolarHBondContact N-OG 3.31Å; K117-S121 PolarHBondContact O-N 2.83Å; K117-S121 VanDerWaalsContact O-N 3.07Å; F118-S121 CarbonylContact O-C 3.51Å; F118-S121 WeakPolarHBondContact O-CA 3.41Å; F118-S121 WeakPolarHBondContact O-CB 3.43Å; F118-S121 PolarHBondContact O-N 2.85Å; F118-S121 VanDerWaalsContact O-N 3.1Å; I119-S121 VanDerWaalsContact C-N 3.32Å; I119-S121 PolarHBondContact O-N 3.42Å; S121-S124 PolarHBondContact O-N 3.19Å; S121-F125 VanDerWaalsContact O-CB 3.28Å; S121-F125 WeakPolarHBondContact O-CB 3.22Å; S121-F125 PolarHBondContact O-N 3.31Å |
| 122 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.7 | -54.7 | 176.5 | 165.5 | 0 | 0 | 0 | 0 | 109.8 | V64 I95 F118 I119 S124 F125 I126 L134 F160 | V64-V122 HydrophobicContact CG2-CG2 3.7Å; I95-V122 HydrophobicContact CD1-CG2 4.04Å; F118-V122 HydrophobicContact CD1-CG2 4.24Å; F118-V122 HydrophobicContact CD2-CG2 4Å; F118-V122 HydrophobicContact CE1-CG2 3.84Å; F118-V122 HydrophobicContact CE2-CG2 3.57Å; F118-V122 HydrophobicContact CG-CG2 4.32Å; F118-V122 HydrophobicContact CZ-CG2 3.49Å; F118-V122 VanDerWaalsContact CZ-CG2 3.49Å; F118-V122 WeakPolarHBondContact O-CG2 3.29Å; F118-V122 PolarHBondContact O-N 2.87Å; I119-V122 PolarHBondContact O-N 2.93Å; V122-S124 VanDerWaalsContact C-N 3.28Å; V122-S124 PolarHBondContact O-N 2.97Å; V122-F125 PolarHBondContact O-N 3.49Å; V122-F125 VanDerWaalsContact O-N 3.11Å; V122-I126 HydrophobicContact CG1-CD1 4.22Å; V122-I126 HydrophobicContact CG1-CG2 4.17Å; V122-I126 WeakPolarHBondContact O-CG1 3.32Å; V122-I126 WeakPolarHBondContact O-CG2 3.39Å; V122-I126 PolarHBondContact O-N 2.9Å; V122-L134 HydrophobicContact CG1-CB 4.3Å; V122-L134 HydrophobicContact CG1-CD1 4.14Å; V122-L134 HydrophobicContact CG1-CD2 4.09Å; V122-L134 HydrophobicContact CG1-CG 4.41Å; V122-L134 HydrophobicContact CG2-CD1 4.44Å; V122-L134 HydrophobicContact CG2-CD2 4.47Å; V122-F160 HydrophobicContact CG1-CZ 4.47Å |
| 123 | V | 98.2 | Very high | 98.1 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.018 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.8 | -41.9 | -177.1 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | I119 K127 R159 F160 E163 | I119-V123 WeakPolarHBondContact O-CG2 3.43Å; I119-V123 PolarHBondContact O-N 2.85Å; V123-K127 HydrophobicContact CG1-CD 3.82Å; V123-K127 HydrophobicContact CG1-CG 4.48Å; V123-K127 WeakPolarHBondContact O-CB 3.41Å; V123-K127 WeakPolarHBondContact O-CG 3.46Å; V123-K127 PolarHBondContact O-N 3.25Å; V123-R159 HydrophobicContact CG2-CG 3.72Å; V123-F160 HydrophobicContact CG2-CD1 4.17Å; V123-F160 HydrophobicContact CG2-CE1 3.89Å; V123-E163 HydrophobicContact CG1-CG 3.74Å |
| 124 | S | 97.7 | Very high | 98.1 | Very high | 79 Ų | 79 | 39.5 Ų | 39.5 | 55% | 0.552 | 20% | 0.198 | S | C | * | . | H | α-helix | trans | -62.1 | -46 | 176.9 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | D120 S121 V122 L128 | D120-S124 WeakPolarHBondContact O-CB 3.41Å; D120-S124 PolarHBondContact O-N 2.92Å; D120-S124 PolarHBondContact O-OG 3.04Å; S121-S124 PolarHBondContact O-N 3.19Å; V122-S124 VanDerWaalsContact C-N 3.28Å; V122-S124 PolarHBondContact O-N 2.97Å; S124-L128 VanDerWaalsContact O-CB 3.24Å; S124-L128 WeakPolarHBondContact O-CB 3.29Å; S124-L128 PolarHBondContact O-N 2.93Å |
| 125 | F | 98.5 | Very high | 98.1 | Very high | 18 Ų | 18 | 37.1 Ų | 37.1 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.3 | -48.3 | -176.4 | -163.8 | -86.9 | 0 | 0 | 0 | 112.8 | V64 N66 Y76 L93 S121 V122 K127 L128 H129 | V64-F125 HydrophobicContact CG1-CD1 4.45Å; V64-F125 HydrophobicContact CG1-CG 4.44Å; N66-F125 HydrophobicContact CB-CZ 4.44Å; Y76-F125 AromaticContact CE2-CE1 3.93Å; Y76-F125 HydrophobicContact CE2-CE1 3.93Å; Y76-F125 AromaticContact CE2-CZ 3.9Å; Y76-F125 HydrophobicContact CE2-CZ 3.9Å; L93-F125 HydrophobicContact CD1-CE1 4.47Å; L93-F125 HydrophobicContact CD2-CD1 3.59Å; L93-F125 HydrophobicContact CD2-CE1 3.87Å; S121-F125 VanDerWaalsContact O-CB 3.28Å; S121-F125 WeakPolarHBondContact O-CB 3.22Å; S121-F125 PolarHBondContact O-N 3.31Å; V122-F125 PolarHBondContact O-N 3.49Å; V122-F125 VanDerWaalsContact O-N 3.11Å; F125-K127 VanDerWaalsContact C-N 3.29Å; F125-K127 PolarHBondContact O-N 2.81Å; F125-L128 PolarHBondContact O-N 2.97Å; F125-H129 AromaticContact CD1-CD2 3.74Å; F125-H129 AromaticContact CD2-CD2 3.96Å; F125-H129 AromaticContact CE1-CD2 3.56Å; F125-H129 AromaticContact CE2-CD2 3.76Å; F125-H129 AromaticContact CE2-NE2 3.67Å; F125-H129 AromaticContact CG-CD2 3.96Å; F125-H129 AromaticContact CZ-CD2 3.56Å; F125-H129 AromaticContact CZ-NE2 3.79Å; F125-H129 PolarHBondContact O-CD2 3.48Å; F125-H129 PolarHBondContact O-N 2.87Å |
| 126 | I | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.4 | -36.9 | -179.7 | 68.2 | -176 | 0 | 0 | 0 | 111.3 | L93 V122 H130 F131 F160 L172 | L93-I126 HydrophobicContact CB-CG2 4.15Å; L93-I126 HydrophobicContact CD2-CG2 4.06Å; V122-I126 HydrophobicContact CG1-CD1 4.22Å; V122-I126 HydrophobicContact CG1-CG2 4.17Å; V122-I126 WeakPolarHBondContact O-CG1 3.32Å; V122-I126 WeakPolarHBondContact O-CG2 3.39Å; V122-I126 PolarHBondContact O-N 2.9Å; I126-H130 CarbonylContact O-C 3.53Å; I126-H130 WeakPolarHBondContact O-CA 3.35Å; I126-H130 PolarHBondContact O-N 2.74Å; I126-F131 HydrophobicContact CB-CB 3.85Å; I126-F131 HydrophobicContact CG2-CB 4.16Å; I126-F131 PolarHBondContact O-N 3.39Å; I126-F160 HydrophobicContact CD1-CE1 3.94Å; I126-F160 HydrophobicContact CD1-CZ 3.89Å; I126-L172 HydrophobicContact CD1-CD1 4.07Å; I126-L172 HydrophobicContact CD1-CD2 4.12Å |
| 127 | K | 95.9 | Very high | 98.1 | Very high | 81 Ų | 81 | 31.5 Ų | 31.5 | 35% | 0.352 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -69.8 | -44.8 | 176 | -71.3 | 179.9 | 71.5 | 172.9 | 0 | 111.9 | V123 F125 H129 H130 E163 S169 | V123-K127 HydrophobicContact CG1-CD 3.82Å; V123-K127 HydrophobicContact CG1-CG 4.48Å; V123-K127 WeakPolarHBondContact O-CB 3.41Å; V123-K127 WeakPolarHBondContact O-CG 3.46Å; V123-K127 PolarHBondContact O-N 3.25Å; F125-K127 VanDerWaalsContact C-N 3.29Å; F125-K127 PolarHBondContact O-N 2.81Å; K127-H129 PolarHBondContact O-N 2.77Å; K127-H130 PolarHBondContact O-N 2.9Å; K127-E163 IonicContact NZ-OE2 2.74Å; K127-E163 PolarHBondContact NZ-OE2 2.92Å; K127-S169 WeakPolarHBondContact CE-OG 3.38Å; K127-S169 PolarHBondContact NZ-OG 3.42Å |
| 128 | L | 96.7 | Very high | 98.1 | Very high | 119 Ų | 119 | 27.4 Ų | 27.4 | 62% | 0.623 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -58.8 | -39.1 | 179.5 | -179.8 | 61.3 | 0 | 0 | 0 | 111.7 | S124 F125 | S124-L128 VanDerWaalsContact O-CB 3.24Å; S124-L128 WeakPolarHBondContact O-CB 3.29Å; S124-L128 PolarHBondContact O-N 2.93Å; F125-L128 PolarHBondContact O-N 2.97Å |
| 129 | H | 97.7 | Very high | 98 | Very high | 25 Ų | 25 | 28.9 Ų | 28.9 | 12% | 0.116 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 12.5 | -177.5 | -59.4 | -62.5 | 0 | 0 | 0 | 114.1 | Y76 M80 F125 K127 F131 | Y76-H129 HydrophobicContact CD2-CB 4.02Å; Y76-H129 AromaticContact CD2-CG 3.91Å; M80-H129 WeakPolarHBondContact CE-O 3.47Å; F125-H129 AromaticContact CD1-CD2 3.74Å; F125-H129 AromaticContact CD2-CD2 3.96Å; F125-H129 AromaticContact CE1-CD2 3.56Å; F125-H129 AromaticContact CE2-CD2 3.76Å; F125-H129 AromaticContact CE2-NE2 3.67Å; F125-H129 AromaticContact CG-CD2 3.96Å; F125-H129 AromaticContact CZ-CD2 3.56Å; F125-H129 AromaticContact CZ-NE2 3.79Å; F125-H129 PolarHBondContact O-CD2 3.48Å; F125-H129 PolarHBondContact O-N 2.87Å; K127-H129 PolarHBondContact O-N 2.77Å; H129-F131 VanDerWaalsContact C-N 3.33Å; H129-F131 HydrophobicContact CB-CD2 3.77Å; H129-F131 HydrophobicContact CB-CE2 3.64Å; H129-F131 PolarHBondContact O-N 2.94Å |
| 130 | H | 95.7 | Very high | 98 | Very high | 130 Ų | 130 | 30.7 Ų | 30.7 | 60% | 0.602 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 27.2 | 172.9 | -48.9 | -57 | 0 | 0 | 0 | 116.6 | M80 K83 I126 K127 | M80-H130 HydrophobicContact SD-CB 4.43Å; M80-H130 VanDerWaalsContact SD-O 3.33Å; K83-H130 PolarHBondContact NZ-O 2.94Å; I126-H130 CarbonylContact O-C 3.53Å; I126-H130 WeakPolarHBondContact O-CA 3.35Å; I126-H130 PolarHBondContact O-N 2.74Å; K127-H130 PolarHBondContact O-N 2.9Å |
| 131 | F | 98 | Very high | 98 | Very high | 7 Ų | 7 | 28.5 Ų | 28.5 | 3% | 0.031 | 15% | 0.145 | C | C | . | . | trans | -70.1 | 148.1 | 169.5 | -70.1 | -86.8 | 0 | 0 | 0 | 111.1 | Y53 Y76 M80 V91 L93 I126 H129 G133 | Y53-F131 HydrophobicContact CG-CE1 4.33Å; Y53-F131 HydrophobicContact CG-CZ 4.46Å; Y76-F131 HydrophobicContact CD1-CE2 4.23Å; Y76-F131 AromaticContact CD1-CZ 3.64Å; Y76-F131 HydrophobicContact CD1-CZ 3.64Å; Y76-F131 HydrophobicContact CD2-CE2 4.04Å; Y76-F131 HydrophobicContact CD2-CZ 4.29Å; Y76-F131 HydrophobicContact CE1-CE2 4.38Å; Y76-F131 AromaticContact CE1-CZ 3.83Å; Y76-F131 HydrophobicContact CE1-CZ 3.83Å; Y76-F131 HydrophobicContact CE2-CE2 4.23Å; Y76-F131 HydrophobicContact CE2-CZ 4.47Å; Y76-F131 HydrophobicContact CG-CE2 4.05Å; Y76-F131 AromaticContact CG-CZ 3.88Å; Y76-F131 HydrophobicContact CG-CZ 3.88Å; M80-F131 HydrophobicContact CE-CB 4.22Å; M80-F131 HydrophobicContact CE-CD1 3.42Å; M80-F131 VanDerWaalsContact CE-CD1 3.42Å; M80-F131 HydrophobicContact CE-CD2 3.91Å; M80-F131 HydrophobicContact CE-CE1 3.61Å; M80-F131 HydrophobicContact CE-CE2 4.08Å; M80-F131 HydrophobicContact CE-CG 3.57Å; M80-F131 HydrophobicContact CE-CZ 3.93Å; V91-F131 HydrophobicContact CG1-CD1 3.94Å; V91-F131 HydrophobicContact CG1-CE1 3.93Å; V91-F131 CarbonylContact O-C 3.58Å; V91-F131 WeakPolarHBondContact O-CA 3.24Å; V91-F131 WeakPolarHBondContact O-CD1 3.18Å; L93-F131 HydrophobicContact CB-CD1 3.87Å; L93-F131 HydrophobicContact CB-CD2 4.35Å; L93-F131 HydrophobicContact CB-CE1 4.13Å; L93-F131 HydrophobicContact CB-CG 4Å; L93-F131 HydrophobicContact CB-CZ 4.48Å; L93-F131 HydrophobicContact CD1-CD1 4.42Å; L93-F131 HydrophobicContact CD1-CD2 4.43Å; L93-F131 HydrophobicContact CD1-CE1 3.87Å; L93-F131 HydrophobicContact CD1-CE2 3.87Å; L93-F131 HydrophobicContact CD1-CZ 3.57Å; I126-F131 HydrophobicContact CB-CB 3.85Å; I126-F131 HydrophobicContact CG2-CB 4.16Å; I126-F131 PolarHBondContact O-N 3.39Å; H129-F131 VanDerWaalsContact C-N 3.33Å; H129-F131 HydrophobicContact CB-CD2 3.77Å; H129-F131 HydrophobicContact CB-CE2 3.64Å; H129-F131 PolarHBondContact O-N 2.94Å; F131-G133 VanDerWaalsContact C-N 3.34Å | ||
| 132 | D | 97.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 30.3 Ų | 30.3 | 16% | 0.155 | 15% | 0.154 | C | C | . | . | trans | -90.4 | 1.5 | -179.7 | -57.3 | -69.3 | 0 | 0 | 0 | 112.7 | K83 K90 V91 L92 L172 Y173 | K83-D132 VanDerWaalsContact CE-OD2 3.27Å; K83-D132 WeakPolarHBondContact CE-OD2 3.43Å; K83-D132 IonicContact NZ-OD1 2.72Å; K83-D132 PolarHBondContact NZ-OD1 3.2Å; K83-D132 IonicContact NZ-OD2 3.1Å; K83-D132 PolarHBondContact NZ-OD2 3.36Å; K90-D132 WeakPolarHBondContact CA-OD2 3.19Å; K90-D132 HydrophobicContact CB-CB 4.11Å; K90-D132 HydrophobicContact CD-CB 3.86Å; V91-D132 PolarHBondContact N-OD2 3.11Å; V91-D132 PolarHBondContact O-N 3.22Å; L92-D132 HydrophobicContact CD1-CB 4.48Å; D132-L172 CarbonylContact O-C 3.58Å; D132-L172 VanDerWaalsContact O-CA 3.31Å; D132-L172 WeakPolarHBondContact O-CA 3.39Å; D132-Y173 HydrophobicContact CB-CD2 4.47Å; D132-Y173 WeakPolarHBondContact O-CD2 3.45Å; D132-Y173 PolarHBondContact O-N 2.83Å | ||
| 133 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 166 | -169.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | L93 F131 Y173 | L93-G133 PolarHBondContact N-O 2.92Å; L93-G133 VanDerWaalsContact N-O 3.09Å; F131-G133 VanDerWaalsContact C-N 3.34Å; G133-Y173 CarbonylContact C-O 3.48Å; G133-Y173 WeakPolarHBondContact CA-O 3.48Å |
| 134 | L | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 136.9 | -179.2 | 176.6 | 73.9 | 0 | 0 | 0 | 109.7 | I95 V122 L136 L156 F160 Y173 L174 T175 | I95-L134 HydrophobicContact CB-CD1 4.43Å; I95-L134 HydrophobicContact CD1-CD1 3.48Å; I95-L134 VanDerWaalsContact CD1-CD1 3.48Å; I95-L134 HydrophobicContact CG1-CD1 3.78Å; V122-L134 HydrophobicContact CG1-CB 4.3Å; V122-L134 HydrophobicContact CG1-CD1 4.14Å; V122-L134 HydrophobicContact CG1-CD2 4.09Å; V122-L134 HydrophobicContact CG1-CG 4.41Å; V122-L134 HydrophobicContact CG2-CD1 4.44Å; V122-L134 HydrophobicContact CG2-CD2 4.47Å; L134-L136 HydrophobicContact CD2-CD1 4.38Å; L134-L136 HydrophobicContact CD2-CD2 3.76Å; L134-L136 HydrophobicContact CD2-CG 3.81Å; L134-L136 HydrophobicContact CG-CD2 4.27Å; L134-L136 HydrophobicContact CG-CG 4.23Å; L134-L156 HydrophobicContact CD2-CD1 3.87Å; L134-L156 HydrophobicContact CD2-CD2 3.84Å; L134-F160 HydrophobicContact CB-CE2 4.26Å; L134-F160 HydrophobicContact CB-CZ 3.91Å; L134-Y173 PolarHBondContact N-O 3.32Å; L134-L174 HydrophobicContact CB-CD1 4.25Å; L134-L174 HydrophobicContact CD2-CD1 3.97Å; L134-L174 HydrophobicContact CG-CD1 4.38Å; L134-L174 WeakPolarHBondContact O-CA 3.38Å; L134-T175 PolarHBondContact O-N 3.23Å |
| 135 | D | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.1 | 166 | 178.9 | 59.3 | 0 | 0 | 0 | 109.3 | Y24 F52 L92 L93 S94 I95 T175 | Y24-D135 WeakPolarHBondContact CE1-OD2 3.19Å; Y24-D135 PolarHBondContact OH-OD1 2.92Å; Y24-D135 PolarHBondContact OH-OD2 3.02Å; F52-D135 HydrophobicContact CD1-CB 3.79Å; F52-D135 HydrophobicContact CE1-CB 4.35Å; L92-D135 HydrophobicContact CB-CB 4.46Å; L93-D135 PolarHBondContact O-N 3.44Å; S94-D135 VanDerWaalsContact CA-O 3.29Å; S94-D135 WeakPolarHBondContact CA-O 3.25Å; S94-D135 WeakPolarHBondContact OG-CB 3.3Å; S94-D135 PolarHBondContact OG-OD2 2.89Å; I95-D135 PolarHBondContact N-O 3.44Å; D135-T175 WeakPolarHBondContact CA-O 3.36Å; D135-T175 WeakPolarHBondContact CA-OG1 3.44Å; D135-T175 VanDerWaalsContact CB-OG1 3.23Å; D135-T175 WeakPolarHBondContact CB-OG1 3.16Å; D135-T175 PolarHBondContact OD1-OG1 2.71Å |
| 136 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.6 | 179.2 | -74.1 | 175.8 | 0 | 0 | 0 | 110.8 | F105 F118 L134 F149 N153 L156 T175 A176 A177 | F105-L136 HydrophobicContact CE1-CD2 4.47Å; F118-L136 HydrophobicContact CE1-CD2 4.4Å; F118-L136 HydrophobicContact CZ-CD2 4.08Å; L134-L136 HydrophobicContact CD2-CD1 4.38Å; L134-L136 HydrophobicContact CD2-CD2 3.76Å; L134-L136 HydrophobicContact CD2-CG 3.81Å; L134-L136 HydrophobicContact CG-CD2 4.27Å; L134-L136 HydrophobicContact CG-CG 4.23Å; L136-F149 HydrophobicContact CD1-CE2 4.28Å; L136-N153 WeakPolarHBondContact CD1-OD1 3.48Å; L136-L156 HydrophobicContact CD1-CD1 3.72Å; L136-T175 PolarHBondContact N-O 3.32Å; L136-A176 HydrophobicContact CB-CB 4.29Å; L136-A176 CarbonylContact O-C 3.44Å; L136-A176 WeakPolarHBondContact O-CA 3.34Å; L136-A176 WeakPolarHBondContact O-CB 3.38Å; L136-A177 PolarHBondContact O-N 3.08Å |
| 137 | D | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 67.7 | 178.7 | -168.1 | 2.7 | 0 | 0 | 0 | 110.5 | F55 I95 G96 G97 E139 A177 | F55-D137 HydrophobicContact CE1-CB 4.03Å; F55-D137 WeakPolarHBondContact CE1-OD2 3.35Å; F55-D137 WeakPolarHBondContact CZ-OD2 3.25Å; I95-D137 PolarHBondContact O-N 2.97Å; G96-D137 CarbonylContact C-O 3.32Å; G96-D137 VanDerWaalsContact CA-O 3.29Å; G96-D137 WeakPolarHBondContact CA-O 3.36Å; G97-D137 WeakPolarHBondContact CA-OD2 3.45Å; G97-D137 PolarHBondContact N-O 2.5Å; D137-E139 VanDerWaalsContact OD1-CG 3.3Å; D137-E139 WeakPolarHBondContact OD1-CG 3.45Å; D137-A177 HydrophobicContact CB-CB 4.05Å |
| 138 | W | 98.4 | Very high | 98.1 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | trans | -89.2 | 105.4 | 176.8 | 178.9 | 2 | 0 | 0 | 0 | 109.6 | F105 K106 A109 Y140 P141 D145 F149 | F105-W138 HydrophobicContact CB-CD2 3.47Å; F105-W138 VanDerWaalsContact CB-CD2 3.47Å; F105-W138 HydrophobicContact CB-CE3 3.91Å; F105-W138 HydrophobicContact CB-CG 3.84Å; F105-W138 HydrophobicContact CB-CH2 4.13Å; F105-W138 HydrophobicContact CB-CZ2 3.76Å; F105-W138 HydrophobicContact CB-CZ3 4.21Å; F105-W138 HydrophobicContact CD1-CB 4.16Å; F105-W138 HydrophobicContact CD1-CD2 4.1Å; F105-W138 HydrophobicContact CD1-CE3 4.14Å; F105-W138 HydrophobicContact CD1-CG 4.11Å; F105-W138 HydrophobicContact CD2-CB 4.12Å; F105-W138 AromaticContact CD2-CD1 3.85Å; F105-W138 HydrophobicContact CD2-CD2 4.41Å; F105-W138 AromaticContact CD2-CG 3.87Å; F105-W138 HydrophobicContact CD2-CG 3.87Å; F105-W138 HydrophobicContact CE1-CB 4.22Å; F105-W138 HydrophobicContact CE2-CB 4.17Å; F105-W138 HydrophobicContact CE2-CG 4.41Å; F105-W138 HydrophobicContact CG-CB 4.12Å; F105-W138 AromaticContact CG-CD1 3.97Å; F105-W138 AromaticContact CG-CD2 3.78Å; F105-W138 HydrophobicContact CG-CD2 3.78Å; F105-W138 HydrophobicContact CG-CE3 4.23Å; F105-W138 AromaticContact CG-CG 3.69Å; F105-W138 HydrophobicContact CG-CG 3.69Å; F105-W138 HydrophobicContact CZ-CB 4.22Å; K106-W138 HydrophobicContact CG-CZ2 3.82Å; A109-W138 HydrophobicContact CB-CH2 3.89Å; A109-W138 HydrophobicContact CB-CZ3 3.87Å; W138-Y140 WeakPolarHBondContact O-CA 3.49Å; W138-P141 HydrophobicContact CD2-CB 4.06Å; W138-P141 HydrophobicContact CD2-CG 4.41Å; W138-P141 HydrophobicContact CE3-CB 4.2Å; W138-P141 HydrophobicContact CH2-CB 4.19Å; W138-P141 HydrophobicContact CZ2-CB 3.99Å; W138-P141 HydrophobicContact CZ3-CB 4.27Å; W138-P141 WeakPolarHBondContact O-CD 3.25Å; W138-D145 HydrophobicContact CH2-CB 3.61Å; W138-D145 HydrophobicContact CZ2-CB 3.86Å; W138-D145 WeakPolarHBondContact CZ2-OD2 3.28Å; W138-F149 AromaticContact CE3-CD2 3.53Å; W138-F149 HydrophobicContact CE3-CD2 3.53Å; W138-F149 AromaticContact CE3-CE2 3.87Å; W138-F149 HydrophobicContact CE3-CE2 3.87Å; W138-F149 HydrophobicContact CE3-CG 4.2Å; W138-F149 HydrophobicContact CZ3-CB 4.1Å; W138-F149 AromaticContact CZ3-CD2 3.72Å; W138-F149 HydrophobicContact CZ3-CD2 3.72Å; W138-F149 HydrophobicContact CZ3-CE2 4.5Å; W138-F149 HydrophobicContact CZ3-CG 4.17Å | ||
| 139 | E | 97.6 | Very high | 98.2 | Very high | 31 Ų | 31 | 32.5 Ų | 32.5 | 15% | 0.145 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -105.4 | 97.9 | 179.9 | -60.6 | -166.6 | -107.9 | 0 | 0 | 113.4 | W98 T102 D137 M204 | W98-E139 PolarHBondContact N-OE1 3.32Å; T102-E139 WeakPolarHBondContact CG2-O 3.04Å; D137-E139 VanDerWaalsContact OD1-CG 3.3Å; D137-E139 WeakPolarHBondContact OD1-CG 3.45Å; E139-M204 HydrophobicContact CG-CE 3.91Å |
| 140 | Y | 98.1 | Very high | 98.2 | Very high | 45 Ų | 45 | 32.4 Ų | 32.4 | 18% | 0.176 | 19% | 0.194 | C | C | . | . | cis | -130.5 | 149 | -12.8 | -59.9 | -80.3 | 0 | 0 | 0 | 110 | W138 K184 Y189 M204 | W138-Y140 WeakPolarHBondContact O-CA 3.49Å; Y140-K184 HydrophobicContact CD1-CD 4.43Å; Y140-K184 HydrophobicContact CD2-CD 3.51Å; Y140-K184 HydrophobicContact CE2-CD 3.91Å; Y140-K184 HydrophobicContact CG-CD 3.8Å; Y140-Y189 WeakPolarHBondContact CD1-OH 3.49Å; Y140-M204 HydrophobicContact CE1-CE 3.68Å | ||
| 141 | P | 98.1 | Very high | 98.4 | Very high | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.019 | 17% | 0.174 | C | C | . | . | trans | -62.1 | 147.5 | 167.9 | 26.5 | -33.6 | 0 | 0 | 0 | 110.4 | W138 D145 F149 G188 Y189 | W138-P141 HydrophobicContact CD2-CB 4.06Å; W138-P141 HydrophobicContact CD2-CG 4.41Å; W138-P141 HydrophobicContact CE3-CB 4.2Å; W138-P141 HydrophobicContact CH2-CB 4.19Å; W138-P141 HydrophobicContact CZ2-CB 3.99Å; W138-P141 HydrophobicContact CZ3-CB 4.27Å; W138-P141 WeakPolarHBondContact O-CD 3.25Å; P141-D145 HydrophobicContact CB-CB 3.81Å; P141-F149 HydrophobicContact CG-CD1 4.15Å; P141-F149 HydrophobicContact CG-CE1 4.39Å; P141-G188 WeakPolarHBondContact O-CA 3.13Å; P141-Y189 HydrophobicContact CG-CE1 4.01Å; P141-Y189 HydrophobicContact CG-CE2 4.03Å | ||
| 142 | D | 97.8 | Very high | 98.4 | Very high | 62 Ų | 62 | 27 Ų | 27 | 33% | 0.332 | 17% | 0.173 | S | C | . | . | trans | -113.1 | -170.7 | 174.7 | 69.8 | 29.7 | 0 | 0 | 0 | 112.8 | K106 A144 D145 K146 A187 | K106-D142 IonicContact NZ-OD1 3.88Å; K106-D142 IonicContact NZ-OD2 3.04Å; K106-D142 PolarHBondContact NZ-OD2 2.92Å; D142-A144 PolarHBondContact O-N 3.33Å; D142-A144 WeakPolarHBondContact OD1-CB 3.26Å; D142-A144 PolarHBondContact OD1-N 3.47Å; D142-D145 PolarHBondContact N-OD2 3.47Å; D142-D145 VanDerWaalsContact N-OD2 3.08Å; D142-D145 WeakPolarHBondContact O-CB 3.32Å; D142-D145 PolarHBondContact O-N 2.82Å; D142-D145 PolarHBondContact OD1-N 3.34Å; D142-K146 PolarHBondContact O-N 3.31Å; D142-A187 CarbonylContact C-O 3.55Å; D142-A187 VanDerWaalsContact C-O 3.32Å | ||
| 143 | A | 98.2 | Very high | 98.5 | Very high | 77 Ų | 77 | 25.6 Ų | 25.6 | 64% | 0.636 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -34.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D145 A187 | A143-D145 VanDerWaalsContact C-N 3.29Å; A143-A187 WeakPolarHBondContact CA-O 3.33Å; A143-A187 PolarHBondContact N-O 3.4Å |
| 144 | A | 97.8 | Very high | 98.5 | Very high | 79 Ų | 79 | 29.4 Ų | 29.4 | 65% | 0.653 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -22.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D142 | D142-A144 PolarHBondContact O-N 3.33Å; D142-A144 WeakPolarHBondContact OD1-CB 3.26Å; D142-A144 PolarHBondContact OD1-N 3.47Å |
| 145 | D | 98.5 | Very high | 98.5 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -24.5 | -176.7 | -58.8 | -40.7 | 0 | 0 | 0 | 113 | K106 W138 P141 D142 A143 A147 N148 F149 | K106-D145 IonicContact NZ-OD1 2.72Å; K106-D145 IonicContact NZ-OD2 3.75Å; K106-D145 PolarHBondContact NZ-OD2 2.98Å; W138-D145 HydrophobicContact CH2-CB 3.61Å; W138-D145 HydrophobicContact CZ2-CB 3.86Å; W138-D145 WeakPolarHBondContact CZ2-OD2 3.28Å; P141-D145 HydrophobicContact CB-CB 3.81Å; D142-D145 PolarHBondContact N-OD2 3.47Å; D142-D145 VanDerWaalsContact N-OD2 3.08Å; D142-D145 WeakPolarHBondContact O-CB 3.32Å; D142-D145 PolarHBondContact O-N 2.82Å; D142-D145 PolarHBondContact OD1-N 3.34Å; A143-D145 VanDerWaalsContact C-N 3.29Å; D145-A147 PolarHBondContact O-N 3.43Å; D145-N148 CarbonylContact O-C 3.56Å; D145-N148 WeakPolarHBondContact O-CA 3.12Å; D145-N148 WeakPolarHBondContact O-CB 3.36Å; D145-N148 PolarHBondContact O-N 3.29Å; D145-F149 PolarHBondContact O-N 2.65Å |
| 146 | K | 98.6 | Very high | 98.5 | Very high | 63 Ų | 63 | 30.8 Ų | 30.8 | 27% | 0.274 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -46.9 | -55.2 | -169.5 | -176 | -176.3 | -61.5 | -175.8 | 0 | 114.6 | D142 N148 F149 V150 D186 A187 G188 | D142-K146 PolarHBondContact O-N 3.31Å; K146-N148 VanDerWaalsContact C-N 3.31Å; K146-N148 PolarHBondContact O-N 3.28Å; K146-F149 PolarHBondContact O-N 2.92Å; K146-V150 WeakPolarHBondContact O-CG2 3.43Å; K146-V150 PolarHBondContact O-N 3.23Å; K146-V150 VanDerWaalsContact O-N 3.13Å; K146-D186 WeakPolarHBondContact CE-O 3.3Å; K146-D186 PolarHBondContact NZ-O 2.91Å; K146-A187 WeakPolarHBondContact CE-O 3.21Å; K146-G188 WeakPolarHBondContact CA-O 3.28Å |
| 147 | A | 98.6 | Very high | 98.5 | Very high | 76 Ų | 76 | 33.4 Ų | 33.4 | 63% | 0.628 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -66.8 | -35.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D145 V150 A151 | D145-A147 PolarHBondContact O-N 3.43Å; A147-V150 PolarHBondContact O-N 3.34Å; A147-A151 PolarHBondContact O-N 3.5Å |
| 148 | N | 98.7 | Very high | 98.5 | Very high | 43 Ų | 43 | 37.9 Ų | 37.9 | 23% | 0.23 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.4 | -35.3 | 178.2 | -73.8 | -33.6 | 0 | 0 | 0 | 111.9 | A109 D145 K146 A151 L152 | A109-N148 HydrophobicContact CB-CB 3.79Å; A109-N148 VanDerWaalsContact O-CB 3.3Å; A109-N148 WeakPolarHBondContact O-CB 3.2Å; D145-N148 CarbonylContact O-C 3.56Å; D145-N148 WeakPolarHBondContact O-CA 3.12Å; D145-N148 WeakPolarHBondContact O-CB 3.36Å; D145-N148 PolarHBondContact O-N 3.29Å; K146-N148 VanDerWaalsContact C-N 3.31Å; K146-N148 PolarHBondContact O-N 3.28Å; N148-A151 PolarHBondContact O-N 2.89Å; N148-L152 WeakPolarHBondContact O-CB 3.01Å; N148-L152 PolarHBondContact O-N 3.06Å |
| 149 | F | 98.7 | Very high | 98.5 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 2% | 0.022 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.7 | -38.3 | 174.3 | -171.5 | -131.1 | 0 | 0 | 0 | 111.9 | L136 W138 P141 D145 K146 L152 N153 Y189 L194 W198 | L136-F149 HydrophobicContact CD1-CE2 4.28Å; W138-F149 AromaticContact CE3-CD2 3.53Å; W138-F149 HydrophobicContact CE3-CD2 3.53Å; W138-F149 AromaticContact CE3-CE2 3.87Å; W138-F149 HydrophobicContact CE3-CE2 3.87Å; W138-F149 HydrophobicContact CE3-CG 4.2Å; W138-F149 HydrophobicContact CZ3-CB 4.1Å; W138-F149 AromaticContact CZ3-CD2 3.72Å; W138-F149 HydrophobicContact CZ3-CD2 3.72Å; W138-F149 HydrophobicContact CZ3-CE2 4.5Å; W138-F149 HydrophobicContact CZ3-CG 4.17Å; P141-F149 HydrophobicContact CG-CD1 4.15Å; P141-F149 HydrophobicContact CG-CE1 4.39Å; D145-F149 PolarHBondContact O-N 2.65Å; K146-F149 PolarHBondContact O-N 2.92Å; F149-L152 HydrophobicContact CD2-CD2 4.44Å; F149-L152 PolarHBondContact O-N 3.03Å; F149-N153 WeakPolarHBondContact CD2-ND2 3.07Å; F149-N153 WeakPolarHBondContact CE2-ND2 3.32Å; F149-N153 WeakPolarHBondContact CZ-ND2 3.34Å; F149-N153 PolarHBondContact O-N 3.05Å; F149-N153 VanDerWaalsContact O-N 3.11Å; F149-N153 PolarHBondContact O-ND2 2Å; F149-Y189 HydrophobicContact CD1-CD1 4.23Å; F149-Y189 HydrophobicContact CD1-CE1 4.43Å; F149-Y189 AromaticContact CE1-CD1 3.81Å; F149-Y189 HydrophobicContact CE1-CD1 3.81Å; F149-Y189 AromaticContact CE1-CE1 3.75Å; F149-Y189 HydrophobicContact CE1-CE1 3.75Å; F149-L194 HydrophobicContact CD1-CD1 4.15Å; F149-L194 HydrophobicContact CD1-CD2 4.31Å; F149-L194 HydrophobicContact CE1-CD1 4.17Å; F149-L194 HydrophobicContact CE1-CD2 4.39Å; F149-W198 HydrophobicContact CE1-CH2 4.07Å; F149-W198 AromaticContact CE1-CZ2 3.72Å; F149-W198 HydrophobicContact CE1-CZ2 3.72Å; F149-W198 HydrophobicContact CZ-CH2 4.48Å; F149-W198 AromaticContact CZ-CZ2 3.82Å; F149-W198 HydrophobicContact CZ-CZ2 3.82Å |
| 150 | V | 98.8 | Very high | 98.5 | Very high | 22 Ų | 22 | 39.2 Ų | 39.2 | 13% | 0.133 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.7 | -46.8 | 170.1 | 174 | 0 | 0 | 0 | 0 | 111 | K146 A147 L152 N153 K154 D190 E193 L194 Y197 | K146-V150 WeakPolarHBondContact O-CG2 3.43Å; K146-V150 PolarHBondContact O-N 3.23Å; K146-V150 VanDerWaalsContact O-N 3.13Å; A147-V150 PolarHBondContact O-N 3.34Å; V150-L152 PolarHBondContact O-N 3.4Å; V150-N153 PolarHBondContact O-N 2.76Å; V150-K154 WeakPolarHBondContact O-CB 3.47Å; V150-K154 PolarHBondContact O-N 3.09Å; V150-D190 HydrophobicContact CG2-CB 3.75Å; V150-E193 HydrophobicContact CG1-CB 3.9Å; V150-E193 HydrophobicContact CG2-CB 4.31Å; V150-L194 HydrophobicContact CG2-CD2 4.26Å; V150-L194 HydrophobicContact CG2-CG 4.24Å; V150-Y197 HydrophobicContact CG1-CE2 4.12Å |
| 151 | A | 98.9 | Very high | 98.4 | Very high | 23 Ų | 23 | 39.9 Ų | 39.9 | 19% | 0.19 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.3 | -43.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A147 N148 N153 K154 E155 | A147-A151 PolarHBondContact O-N 3.5Å; N148-A151 PolarHBondContact O-N 2.89Å; A151-N153 PolarHBondContact O-N 2.96Å; A151-K154 PolarHBondContact O-N 2.75Å; A151-E155 WeakPolarHBondContact O-CB 3.47Å; A151-E155 VanDerWaalsContact O-CG 3.28Å; A151-E155 WeakPolarHBondContact O-CG 3.42Å; A151-E155 PolarHBondContact O-N 2.73Å |
| 152 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58 | -48.6 | 175.7 | 176.6 | 59.9 | 0 | 0 | 0 | 112.5 | R115 F118 I119 N148 F149 V150 E155 L156 | R115-L152 HydrophobicContact CB-CD1 4.18Å; R115-L152 HydrophobicContact CG-CB 4.42Å; R115-L152 HydrophobicContact CG-CD1 4.06Å; F118-L152 HydrophobicContact CD1-CD1 3.86Å; F118-L152 HydrophobicContact CE1-CD1 4.12Å; I119-L152 HydrophobicContact CD1-CD1 4.34Å; I119-L152 HydrophobicContact CG1-CD1 4.36Å; N148-L152 WeakPolarHBondContact O-CB 3.01Å; N148-L152 PolarHBondContact O-N 3.06Å; F149-L152 HydrophobicContact CD2-CD2 4.44Å; F149-L152 PolarHBondContact O-N 3.03Å; V150-L152 PolarHBondContact O-N 3.4Å; L152-E155 PolarHBondContact O-N 2.73Å; L152-L156 HydrophobicContact CD1-CD1 4.07Å; L152-L156 HydrophobicContact CD1-CG 4.35Å; L152-L156 HydrophobicContact CG-CD1 4.04Å; L152-L156 WeakPolarHBondContact O-CB 3.12Å; L152-L156 WeakPolarHBondContact O-CG 3.44Å; L152-L156 PolarHBondContact O-N 3.11Å |
| 153 | N | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.3 | -35.9 | -178.8 | -76.3 | -75.4 | 0 | 0 | 0 | 112.6 | L136 F149 V150 A151 H157 L194 Y197 W198 | L136-N153 WeakPolarHBondContact CD1-OD1 3.48Å; F149-N153 WeakPolarHBondContact CD2-ND2 3.07Å; F149-N153 WeakPolarHBondContact CE2-ND2 3.32Å; F149-N153 WeakPolarHBondContact CZ-ND2 3.34Å; F149-N153 PolarHBondContact O-N 3.05Å; F149-N153 VanDerWaalsContact O-N 3.11Å; F149-N153 PolarHBondContact O-ND2 2Å; V150-N153 PolarHBondContact O-N 2.76Å; A151-N153 PolarHBondContact O-N 2.96Å; N153-H157 VanDerWaalsContact O-CB 3.25Å; N153-H157 WeakPolarHBondContact O-CB 3.36Å; N153-H157 PolarHBondContact O-N 2.68Å; N153-L194 HydrophobicContact CB-CD2 3.86Å; N153-Y197 HydrophobicContact CB-CD2 4.28Å; N153-W198 VanDerWaalsContact CG-NE1 3.26Å; N153-W198 PolarHBondContact OD1-NE1 2.86Å |
| 154 | K | 98.9 | Very high | 97.9 | Very high | 81 Ų | 81 | 43.3 Ų | 43.3 | 35% | 0.352 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -59.8 | -49.5 | 171.9 | -178.7 | 176.4 | -176.4 | -72.1 | 0 | 111.5 | V150 A151 H157 E158 Y197 | V150-K154 WeakPolarHBondContact O-CB 3.47Å; V150-K154 PolarHBondContact O-N 3.09Å; A151-K154 PolarHBondContact O-N 2.75Å; K154-H157 PolarHBondContact O-N 3.08Å; K154-E158 WeakPolarHBondContact CE-OE1 3.47Å; K154-E158 IonicContact NZ-OE1 2.72Å; K154-E158 PolarHBondContact NZ-OE1 3.14Å; K154-E158 IonicContact NZ-OE2 2.63Å; K154-E158 WeakPolarHBondContact O-CB 3.45Å; K154-E158 WeakPolarHBondContact O-CG 3.23Å; K154-E158 PolarHBondContact O-N 2.98Å; K154-Y197 HydrophobicContact CB-CD1 4.21Å; K154-Y197 HydrophobicContact CB-CD2 4.17Å; K154-Y197 HydrophobicContact CB-CE1 3.8Å; K154-Y197 HydrophobicContact CB-CE2 3.78Å; K154-Y197 HydrophobicContact CB-CG 4.39Å; K154-Y197 HydrophobicContact CD-CE1 4.36Å; K154-Y197 HydrophobicContact CG-CD1 4.4Å; K154-Y197 HydrophobicContact CG-CE1 3.67Å; K154-Y197 HydrophobicContact CG-CE2 4.39Å |
| 155 | E | 98.9 | Very high | 97.6 | Very high | 29 Ų | 29 | 46.7 Ų | 46.7 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.2 | -38.2 | -178.2 | -70.5 | 165.6 | -164.2 | 0 | 0 | 112.2 | F112 R115 I119 A151 L152 R159 | F112-E155 WeakPolarHBondContact CD2-OE1 3.32Å; R115-E155 VanDerWaalsContact CB-OE2 3.25Å; R115-E155 WeakPolarHBondContact CB-OE2 3.02Å; R115-E155 IonicContact CZ-OE1 3.7Å; R115-E155 IonicContact CZ-OE2 2.64Å; R115-E155 VanDerWaalsContact NE-CD 3.3Å; R115-E155 IonicContact NE-OE1 3.81Å; R115-E155 PolarHBondContact NE-OE1 3.47Å; R115-E155 VanDerWaalsContact NE-OE1 3.16Å; R115-E155 IonicContact NE-OE2 2.63Å; R115-E155 PolarHBondContact NE-OE2 3.03Å; R115-E155 IonicContact NH2-OE1 3.51Å; R115-E155 PolarHBondContact NH2-OE1 3.28Å; R115-E155 IonicContact NH2-OE2 2.71Å; I119-E155 HydrophobicContact CD1-CB 3.44Å; I119-E155 VanDerWaalsContact CD1-CB 3.44Å; A151-E155 WeakPolarHBondContact O-CB 3.47Å; A151-E155 VanDerWaalsContact O-CG 3.28Å; A151-E155 WeakPolarHBondContact O-CG 3.42Å; A151-E155 PolarHBondContact O-N 2.73Å; L152-E155 PolarHBondContact O-N 2.73Å; E155-R159 VanDerWaalsContact O-CB 3.23Å; E155-R159 WeakPolarHBondContact O-CB 3.43Å; E155-R159 PolarHBondContact O-N 3.05Å |
| 156 | L | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 170.4 | -83.3 | 163.7 | 0 | 0 | 0 | 111.4 | F118 I119 L134 L136 L152 R159 F160 L174 | F118-L156 HydrophobicContact CE1-CD1 4.36Å; F118-L156 HydrophobicContact CE1-CD2 4.49Å; I119-L156 HydrophobicContact CB-CD2 4.43Å; I119-L156 HydrophobicContact CD1-CG 4.21Å; I119-L156 HydrophobicContact CG1-CD2 3.7Å; I119-L156 HydrophobicContact CG1-CG 3.79Å; I119-L156 HydrophobicContact CG2-CD2 4.44Å; L134-L156 HydrophobicContact CD2-CD1 3.87Å; L134-L156 HydrophobicContact CD2-CD2 3.84Å; L136-L156 HydrophobicContact CD1-CD1 3.72Å; L152-L156 HydrophobicContact CD1-CD1 4.07Å; L152-L156 HydrophobicContact CD1-CG 4.35Å; L152-L156 HydrophobicContact CG-CD1 4.04Å; L152-L156 WeakPolarHBondContact O-CB 3.12Å; L152-L156 WeakPolarHBondContact O-CG 3.44Å; L152-L156 PolarHBondContact O-N 3.11Å; L156-R159 WeakPolarHBondContact O-CB 3.46Å; L156-R159 PolarHBondContact O-N 2.98Å; L156-F160 HydrophobicContact CD2-CE1 4.47Å; L156-F160 WeakPolarHBondContact O-CD1 3.23Å; L156-F160 WeakPolarHBondContact O-CG 3.24Å; L156-F160 PolarHBondContact O-N 3.33Å; L156-L174 HydrophobicContact CB-CD1 4.36Å; L156-L174 HydrophobicContact CB-CD2 3.86Å; L156-L174 HydrophobicContact CD1-CD1 4.08Å |
| 157 | H | 98.6 | Very high | 96.2 | Very high | 55 Ų | 55 | 55.2 Ų | 55.2 | 26% | 0.255 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | -179.7 | -179.5 | 85.4 | 0 | 0 | 0 | 112.2 | N153 K154 R159 F160 I161 L174 Y197 | N153-H157 VanDerWaalsContact O-CB 3.25Å; N153-H157 WeakPolarHBondContact O-CB 3.36Å; N153-H157 PolarHBondContact O-N 2.68Å; K154-H157 PolarHBondContact O-N 3.08Å; H157-R159 VanDerWaalsContact C-N 3.29Å; H157-R159 PolarHBondContact O-N 3.19Å; H157-F160 PolarHBondContact O-N 2.97Å; H157-I161 VanDerWaalsContact NE2-CD1 3.27Å; H157-I161 WeakPolarHBondContact NE2-CD1 3.49Å; H157-I161 PolarHBondContact O-N 2.63Å; H157-L174 HydrophobicContact CB-CD2 4.27Å; H157-Y197 HydrophobicContact CB-CD1 4.08Å; H157-Y197 HydrophobicContact CB-CG 4.34Å; H157-Y197 PolarHBondContact ND1-O 2.94Å |
| 158 | E | 98.4 | Very high | 95.2 | Very high | 97 Ų | 97 | 55 Ų | 55 | 45% | 0.453 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.8 | -40.6 | 174.9 | -73.8 | 172.4 | 177.9 | 0 | 0 | 111.6 | K154 K162 | K154-E158 WeakPolarHBondContact CE-OE1 3.47Å; K154-E158 IonicContact NZ-OE1 2.72Å; K154-E158 PolarHBondContact NZ-OE1 3.14Å; K154-E158 IonicContact NZ-OE2 2.63Å; K154-E158 WeakPolarHBondContact O-CB 3.45Å; K154-E158 WeakPolarHBondContact O-CG 3.23Å; K154-E158 PolarHBondContact O-N 2.98Å; E158-K162 PolarHBondContact O-N 3.35Å; E158-K162 VanDerWaalsContact O-N 3.08Å |
| 159 | R | 98.1 | Very high | 94 | Very high | 55 Ų | 55 | 54 Ų | 54 | 21% | 0.208 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 176 | -175 | 77.7 | -176.3 | 74 | 4.4 | 112 | I119 D120 V123 E155 L156 H157 K162 E163 | I119-R159 HydrophobicContact CG2-CB 3.65Å; I119-R159 HydrophobicContact CG2-CG 3.42Å; I119-R159 VanDerWaalsContact CG2-CG 3.42Å; D120-R159 IonicContact OD1-NE 2.73Å; V123-R159 HydrophobicContact CG2-CG 3.72Å; E155-R159 VanDerWaalsContact O-CB 3.23Å; E155-R159 WeakPolarHBondContact O-CB 3.43Å; E155-R159 PolarHBondContact O-N 3.05Å; L156-R159 WeakPolarHBondContact O-CB 3.46Å; L156-R159 PolarHBondContact O-N 2.98Å; H157-R159 VanDerWaalsContact C-N 3.29Å; H157-R159 PolarHBondContact O-N 3.19Å; R159-K162 WeakPolarHBondContact O-CB 3.47Å; R159-K162 PolarHBondContact O-N 3.37Å; R159-E163 IonicContact CZ-OE1 3.23Å; R159-E163 VanDerWaalsContact NH1-CG 3.32Å; R159-E163 IonicContact NH1-OE1 3.06Å; R159-E163 PolarHBondContact NH1-OE1 2.74Å; R159-E163 IonicContact NH2-OE1 3.56Å; R159-E163 PolarHBondContact NH2-OE1 2.9Å; R159-E163 PolarHBondContact O-N 3.07Å |
| 160 | F | 98.1 | Very high | 93.4 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.7 | -43.5 | 178.7 | -78 | 9.4 | 0 | 0 | 0 | 111.8 | V122 V123 I126 L134 L156 H157 K162 E163 E164 L172 Y173 L174 | V122-F160 HydrophobicContact CG1-CZ 4.47Å; V123-F160 HydrophobicContact CG2-CD1 4.17Å; V123-F160 HydrophobicContact CG2-CE1 3.89Å; I126-F160 HydrophobicContact CD1-CE1 3.94Å; I126-F160 HydrophobicContact CD1-CZ 3.89Å; L134-F160 HydrophobicContact CB-CE2 4.26Å; L134-F160 HydrophobicContact CB-CZ 3.91Å; L156-F160 HydrophobicContact CD2-CE1 4.47Å; L156-F160 WeakPolarHBondContact O-CD1 3.23Å; L156-F160 WeakPolarHBondContact O-CG 3.24Å; L156-F160 PolarHBondContact O-N 3.33Å; H157-F160 PolarHBondContact O-N 2.97Å; F160-K162 PolarHBondContact O-N 2.65Å; F160-E163 PolarHBondContact O-N 2.7Å; F160-E163 VanDerWaalsContact O-N 3.12Å; F160-E164 PolarHBondContact O-N 3.49Å; F160-L172 HydrophobicContact CB-CB 4.05Å; F160-L172 HydrophobicContact CD1-CB 4.23Å; F160-L172 HydrophobicContact CD1-CD1 3.82Å; F160-L172 HydrophobicContact CD2-CB 3.56Å; F160-L172 HydrophobicContact CE1-CD1 4.15Å; F160-L172 HydrophobicContact CE2-CB 4Å; F160-L172 HydrophobicContact CG-CB 3.69Å; F160-L172 HydrophobicContact CG-CD1 4.09Å; F160-L172 HydrophobicContact CZ-CB 4.49Å; F160-Y173 WeakPolarHBondContact CE2-O 3.4Å; F160-L174 HydrophobicContact CD2-CB 4.13Å; F160-L174 HydrophobicContact CE2-CB 4.03Å; F160-L174 HydrophobicContact CE2-CD1 4.41Å |
| 161 | I | 97.1 | Very high | 93.2 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 30% | 0.303 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.7 | -39.5 | 171.7 | -72.5 | 175.5 | 0 | 0 | 0 | 111.1 | H157 E164 K165 | H157-I161 VanDerWaalsContact NE2-CD1 3.27Å; H157-I161 WeakPolarHBondContact NE2-CD1 3.49Å; H157-I161 PolarHBondContact O-N 2.63Å; I161-E164 PolarHBondContact O-N 3.32Å; I161-K165 HydrophobicContact CG2-CD 3.88Å; I161-K165 HydrophobicContact CG2-CG 4.48Å; I161-K165 WeakPolarHBondContact O-CG 3.37Å; I161-K165 PolarHBondContact O-N 2.88Å |
| 162 | K | 96.6 | Very high | 93.2 | Very high | 119 Ų | 119 | 59.5 Ų | 59.5 | 52% | 0.517 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 177.6 | -171 | -176.8 | 178.3 | 179.4 | 0 | 112 | E158 R159 F160 E164 F166 | E158-K162 PolarHBondContact O-N 3.35Å; E158-K162 VanDerWaalsContact O-N 3.08Å; R159-K162 WeakPolarHBondContact O-CB 3.47Å; R159-K162 PolarHBondContact O-N 3.37Å; F160-K162 PolarHBondContact O-N 2.65Å; K162-E164 VanDerWaalsContact C-N 3.31Å; K162-E164 PolarHBondContact O-N 2.95Å; K162-F166 HydrophobicContact CB-CD2 4.44Å; K162-F166 HydrophobicContact CG-CD2 3.73Å; K162-F166 HydrophobicContact CG-CE2 4.31Å; K162-F166 WeakPolarHBondContact O-CB 3.41Å; K162-F166 WeakPolarHBondContact O-CD2 3.38Å; K162-F166 PolarHBondContact O-N 2.72Å; K162-F166 VanDerWaalsContact O-N 3.09Å |
| 163 | E | 95 | Very high | 93.2 | Very high | 3 Ų | 3 | 61.1 Ų | 61.1 | 1% | 0.014 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 174.7 | -76.7 | -57.6 | 132.9 | 0 | 0 | 112 | V123 K127 R159 F160 N167 S169 L172 | V123-E163 HydrophobicContact CG1-CG 3.74Å; K127-E163 IonicContact NZ-OE2 2.74Å; K127-E163 PolarHBondContact NZ-OE2 2.92Å; R159-E163 IonicContact CZ-OE1 3.23Å; R159-E163 VanDerWaalsContact NH1-CG 3.32Å; R159-E163 IonicContact NH1-OE1 3.06Å; R159-E163 PolarHBondContact NH1-OE1 2.74Å; R159-E163 IonicContact NH2-OE1 3.56Å; R159-E163 PolarHBondContact NH2-OE1 2.9Å; R159-E163 PolarHBondContact O-N 3.07Å; F160-E163 PolarHBondContact O-N 2.7Å; F160-E163 VanDerWaalsContact O-N 3.12Å; E163-N167 WeakPolarHBondContact O-CB 3.21Å; E163-N167 PolarHBondContact O-N 2.64Å; E163-N167 VanDerWaalsContact O-N 3.16Å; E163-N167 PolarHBondContact OE1-ND2 3.33Å; E163-N167 WeakPolarHBondContact OE2-CB 3.36Å; E163-N167 PolarHBondContact OE2-ND2 2.69Å; E163-S169 PolarHBondContact O-N 2.84Å; E163-S169 PolarHBondContact OE2-OG 3.04Å; E163-L172 HydrophobicContact CB-CD1 3.91Å; E163-L172 HydrophobicContact CG-CD1 4.1Å |
| 164 | E | 91.2 | Very high | 93.1 | Very high | 92 Ų | 92 | 61.1 Ų | 61.1 | 43% | 0.43 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.8 | -48.7 | -179.7 | -173.8 | -179.7 | -177.2 | 0 | 0 | 112 | F160 I161 K162 S169 | F160-E164 PolarHBondContact O-N 3.49Å; I161-E164 PolarHBondContact O-N 3.32Å; K162-E164 VanDerWaalsContact C-N 3.31Å; K162-E164 PolarHBondContact O-N 2.95Å; E164-S169 WeakPolarHBondContact CA-O 3.24Å |
| 165 | K | 90.6 | Very high | 93.1 | Very high | 150 Ų | 150 | 57.3 Ų | 57.3 | 65% | 0.652 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -76.4 | -36 | -173.7 | -70.8 | 179.5 | 178.9 | 175.7 | 0 | 114.3 | I161 | I161-K165 HydrophobicContact CG2-CD 3.88Å; I161-K165 HydrophobicContact CG2-CG 4.48Å; I161-K165 WeakPolarHBondContact O-CG 3.37Å; I161-K165 PolarHBondContact O-N 2.88Å |
| 166 | F | 86.3 | Confident | 93.1 | Very high | 154 Ų | 154 | 55.9 Ų | 55.9 | 68% | 0.675 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -113.3 | -22.4 | -166.1 | -60.5 | -74.2 | 0 | 0 | 0 | 114.2 | K162 | K162-F166 HydrophobicContact CB-CD2 4.44Å; K162-F166 HydrophobicContact CG-CD2 3.73Å; K162-F166 HydrophobicContact CG-CE2 4.31Å; K162-F166 WeakPolarHBondContact O-CB 3.41Å; K162-F166 WeakPolarHBondContact O-CD2 3.38Å; K162-F166 PolarHBondContact O-N 2.72Å; K162-F166 VanDerWaalsContact O-N 3.09Å |
| 167 | N | 82.7 | Confident | 93.2 | Very high | 90 Ų | 90 | 56 Ų | 56 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -109.4 | 0.7 | -175.6 | -66.8 | 0.8 | 0 | 0 | 0 | 113.1 | E163 S169 | E163-N167 WeakPolarHBondContact O-CB 3.21Å; E163-N167 PolarHBondContact O-N 2.64Å; E163-N167 VanDerWaalsContact O-N 3.16Å; E163-N167 PolarHBondContact OE1-ND2 3.33Å; E163-N167 WeakPolarHBondContact OE2-CB 3.36Å; E163-N167 PolarHBondContact OE2-ND2 2.69Å; N167-S169 PolarHBondContact O-N 3.13Å; N167-S169 VanDerWaalsContact O-N 3.14Å |
| 168 | G | 77.8 | Confident | 93.2 | Very high | 72 Ų | 72 | 53.4 Ų | 53.4 | 74% | 0.742 | 28% | 0.281 | S | S | * | . | trans | 64.8 | 12.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G170 | G168-G170 PolarHBondContact O-N 2.88Š| ||
| 169 | S | 71.9 | Confident | 93.1 | Very high | 22 Ų | 22 | 48.9 Ų | 48.9 | 15% | 0.154 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 132.4 | 168 | -54.4 | 0 | 0 | 0 | 0 | 106.3 | K127 E163 E164 N167 | K127-S169 WeakPolarHBondContact CE-OG 3.38Å; K127-S169 PolarHBondContact NZ-OG 3.42Å; E163-S169 PolarHBondContact O-N 2.84Å; E163-S169 PolarHBondContact OE2-OG 3.04Å; E164-S169 WeakPolarHBondContact CA-O 3.24Å; N167-S169 PolarHBondContact O-N 3.13Å; N167-S169 VanDerWaalsContact O-N 3.14Å |
| 170 | G | 87.3 | Confident | 93 | Very high | 57 Ų | 57 | 47.1 Ų | 47.1 | 59% | 0.588 | 25% | 0.254 | S | S | * | . | P | Polyproline II helix | trans | -56.4 | 172.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G168 L172 | G168-G170 PolarHBondContact O-N 2.88Å; G170-L172 PolarHBondContact O-N 3.21Å |
| 171 | K | 94.6 | Very high | 92.9 | Very high | 92 Ų | 92 | 48.1 Ų | 48.1 | 40% | 0.4 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -47.3 | 127.1 | 173.6 | 177.9 | 178.7 | 176.4 | -179.5 | 0 | 110.8 | Y173 D199 | K171-Y173 HydrophobicContact CD-CE1 4.25Å; K171-Y173 HydrophobicContact CD-CE2 4.22Å; K171-Y173 HydrophobicContact CG-CD2 4.49Å; K171-Y173 HydrophobicContact CG-CE2 4.21Å; K171-D199 WeakPolarHBondContact CE-OD1 3.5Å; K171-D199 IonicContact NZ-OD1 2.82Å; K171-D199 PolarHBondContact NZ-OD1 2.94Å |
| 172 | L | 97.9 | Very high | 92.7 | Very high | 17 Ų | 17 | 46.2 Ų | 46.2 | 9% | 0.089 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -98.6 | 131.1 | 170.2 | -66.4 | 174.6 | 0 | 0 | 0 | 109.5 | I126 D132 F160 E163 G170 | I126-L172 HydrophobicContact CD1-CD1 4.07Å; I126-L172 HydrophobicContact CD1-CD2 4.12Å; D132-L172 CarbonylContact O-C 3.58Å; D132-L172 VanDerWaalsContact O-CA 3.31Å; D132-L172 WeakPolarHBondContact O-CA 3.39Å; F160-L172 HydrophobicContact CB-CB 4.05Å; F160-L172 HydrophobicContact CD1-CB 4.23Å; F160-L172 HydrophobicContact CD1-CD1 3.82Å; F160-L172 HydrophobicContact CD2-CB 3.56Å; F160-L172 HydrophobicContact CE1-CD1 4.15Å; F160-L172 HydrophobicContact CE2-CB 4Å; F160-L172 HydrophobicContact CG-CB 3.69Å; F160-L172 HydrophobicContact CG-CD1 4.09Å; F160-L172 HydrophobicContact CZ-CB 4.49Å; E163-L172 HydrophobicContact CB-CD1 3.91Å; E163-L172 HydrophobicContact CG-CD1 4.1Å; G170-L172 PolarHBondContact O-N 3.21Å |
| 173 | Y | 98.4 | Very high | 92.6 | Very high | 33 Ų | 33 | 43.5 Ų | 43.5 | 13% | 0.129 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 137.9 | -177.5 | -68.4 | -101.1 | 0 | 0 | 0 | 111.3 | Y50 K90 D132 G133 L134 F160 K171 D199 | Y50-Y173 AromaticContact CE1-CD1 3.74Å; Y50-Y173 HydrophobicContact CE1-CD1 3.74Å; Y50-Y173 AromaticContact CE1-CE1 3.7Å; Y50-Y173 HydrophobicContact CE1-CE1 3.7Å; Y50-Y173 HydrophobicContact CE1-CG 4.26Å; Y50-Y173 AromaticContact CZ-CE1 3.96Å; Y50-Y173 VanDerWaalsContact OH-CE1 3.3Å; Y50-Y173 WeakPolarHBondContact OH-CE1 3.43Å; K90-Y173 HydrophobicContact CD-CD2 4.27Å; K90-Y173 HydrophobicContact CD-CE2 3.61Å; K90-Y173 HydrophobicContact CG-CD2 4.41Å; K90-Y173 HydrophobicContact CG-CE2 3.9Å; D132-Y173 HydrophobicContact CB-CD2 4.47Å; D132-Y173 WeakPolarHBondContact O-CD2 3.45Å; D132-Y173 PolarHBondContact O-N 2.83Å; G133-Y173 CarbonylContact C-O 3.48Å; G133-Y173 WeakPolarHBondContact CA-O 3.48Å; L134-Y173 PolarHBondContact N-O 3.32Å; F160-Y173 WeakPolarHBondContact CE2-O 3.4Å; K171-Y173 HydrophobicContact CD-CE1 4.25Å; K171-Y173 HydrophobicContact CD-CE2 4.22Å; K171-Y173 HydrophobicContact CG-CD2 4.49Å; K171-Y173 HydrophobicContact CG-CE2 4.21Å; Y173-D199 VanDerWaalsContact CA-OD2 3.3Å; Y173-D199 WeakPolarHBondContact CA-OD2 3.38Å; Y173-D199 HydrophobicContact CD1-CB 4.24Å |
| 174 | L | 98.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 115.3 | 173.7 | -179.3 | 63.8 | 0 | 0 | 0 | 109.9 | L134 L156 H157 F160 W198 D199 | L134-L174 HydrophobicContact CB-CD1 4.25Å; L134-L174 HydrophobicContact CD2-CD1 3.97Å; L134-L174 HydrophobicContact CG-CD1 4.38Å; L134-L174 WeakPolarHBondContact O-CA 3.38Å; L156-L174 HydrophobicContact CB-CD1 4.36Å; L156-L174 HydrophobicContact CB-CD2 3.86Å; L156-L174 HydrophobicContact CD1-CD1 4.08Å; H157-L174 HydrophobicContact CB-CD2 4.27Å; F160-L174 HydrophobicContact CD2-CB 4.13Å; F160-L174 HydrophobicContact CE2-CB 4.03Å; F160-L174 HydrophobicContact CE2-CD1 4.41Å; L174-W198 CarbonylContact O-C 3.53Å; L174-W198 WeakPolarHBondContact O-CA 3.37Å; L174-D199 PolarHBondContact N-OD2 3Å; L174-D199 PolarHBondContact O-N 3.07Å |
| 175 | T | 98.9 | Very high | 93 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 167.9 | 177.8 | 64.4 | 0 | 0 | 0 | 0 | 110.7 | F52 L92 L134 D135 L136 F200 | F52-T175 HydrophobicContact CE1-CG2 4.41Å; L92-T175 HydrophobicContact CD2-CG2 3.76Å; L134-T175 PolarHBondContact O-N 3.23Å; D135-T175 WeakPolarHBondContact CA-O 3.36Å; D135-T175 WeakPolarHBondContact CA-OG1 3.44Å; D135-T175 VanDerWaalsContact CB-OG1 3.23Å; D135-T175 WeakPolarHBondContact CB-OG1 3.16Å; D135-T175 PolarHBondContact OD1-OG1 2.71Å; L136-T175 PolarHBondContact N-O 3.32Å; T175-F200 WeakPolarHBondContact CA-O 3.46Å; T175-F200 WeakPolarHBondContact CB-O 3.49Å; T175-F200 HydrophobicContact CG2-CD1 4.13Å; T175-F200 HydrophobicContact CG2-CD2 3.8Å; T175-F200 HydrophobicContact CG2-CE1 3.82Å; T175-F200 HydrophobicContact CG2-CE2 3.47Å; T175-F200 VanDerWaalsContact CG2-CE2 3.47Å; T175-F200 HydrophobicContact CG2-CG 4.13Å; T175-F200 HydrophobicContact CG2-CZ 3.49Å; T175-F200 VanDerWaalsContact CG2-CZ 3.49Å |
| 176 | A | 98.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 141.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L136 V178 W198 M201 N202 | L136-A176 HydrophobicContact CB-CB 4.29Å; L136-A176 CarbonylContact O-C 3.44Å; L136-A176 WeakPolarHBondContact O-CA 3.34Å; L136-A176 WeakPolarHBondContact O-CB 3.38Å; A176-V178 HydrophobicContact CB-CG1 4.25Å; A176-W198 HydrophobicContact CB-CD2 4.15Å; A176-W198 HydrophobicContact CB-CH2 3.87Å; A176-W198 HydrophobicContact CB-CZ2 3.45Å; A176-W198 VanDerWaalsContact CB-CZ2 3.45Å; A176-W198 HydrophobicContact CB-CZ3 4.4Å; A176-M201 CarbonylContact O-C 3.4Å; A176-M201 WeakPolarHBondContact O-CA 3.46Å; A176-N202 PolarHBondContact O-N 2.94Å |
| 177 | A | 98.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 32.4 Ų | 32.4 | 3% | 0.025 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 131.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | L136 D137 N202 M204 | L136-A177 PolarHBondContact O-N 3.08Å; D137-A177 HydrophobicContact CB-CB 4.05Å; A177-N202 CarbonylContact C-O 3.55Å; A177-N202 WeakPolarHBondContact CA-O 3.21Å; A177-M204 HydrophobicContact CB-CE 4.02Å; A177-M204 HydrophobicContact CB-CG 4.05Å; A177-M204 HydrophobicContact CB-SD 3.82Å |
| 178 | V | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 153.4 | -171.3 | -57.5 | 0 | 0 | 0 | 0 | 113 | A176 Y189 W198 M201 N202 L203 M204 W244 | A176-V178 HydrophobicContact CB-CG1 4.25Å; V178-Y189 HydrophobicContact CB-CE1 4.35Å; V178-Y189 HydrophobicContact CG1-CE1 3.97Å; V178-W198 HydrophobicContact CG1-CH2 3.82Å; V178-W198 HydrophobicContact CG1-CZ3 3.97Å; V178-M201 HydrophobicContact CG1-CB 4.29Å; V178-M201 HydrophobicContact CG1-SD 4.46Å; V178-M201 HydrophobicContact CG2-CB 4.32Å; V178-M201 HydrophobicContact CG2-CE 4.35Å; V178-M201 HydrophobicContact CG2-CG 4.2Å; V178-M201 HydrophobicContact CG2-SD 3.74Å; V178-N202 PolarHBondContact N-O 2.9Å; V178-L203 HydrophobicContact CG2-CD1 4.11Å; V178-M204 WeakPolarHBondContact O-CB 3.44Å; V178-M204 PolarHBondContact O-N 3.1Å; V178-W244 HydrophobicContact CB-CH2 3.88Å; V178-W244 HydrophobicContact CB-CZ2 3.54Å; V178-W244 HydrophobicContact CG1-CH2 4.05Å; V178-W244 HydrophobicContact CG1-CZ2 4.24Å; V178-W244 HydrophobicContact CG2-CH2 4.07Å; V178-W244 HydrophobicContact CG2-CZ2 3.55Å |
| 179 | S | 97.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 141.5 | -178.1 | 178.7 | 0 | 0 | 0 | 0 | 113.3 | D181 K184 W244 | S179-D181 PolarHBondContact OG-N 2.96Å; S179-D181 PolarHBondContact OG-O 2.63Å; S179-K184 WeakPolarHBondContact OG-CD 3.33Å; S179-W244 PolarHBondContact O-NE1 3.32Å |
| 180 | L | 96.5 | Very high | 96.9 | Very high | 19 Ų | 19 | 26.8 Ų | 26.8 | 10% | 0.099 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -76.3 | -24.8 | 165.5 | 79.2 | 108.1 | 0 | 0 | 0 | 113.6 | N182 L203 M204 Y206 V208 S240 | L180-N182 PolarHBondContact O-N 3.44Å; L180-L203 HydrophobicContact CB-CD1 4.47Å; L180-M204 WeakPolarHBondContact CD2-O 3.31Å; L180-Y206 WeakPolarHBondContact CD2-O 3.33Å; L180-V208 HydrophobicContact CD1-CG2 3.72Å; L180-V208 HydrophobicContact CD2-CG2 4.03Å; L180-S240 WeakPolarHBondContact CA-OG 3.35Å; L180-S240 VanDerWaalsContact O-CB 3.3Å; L180-S240 WeakPolarHBondContact O-CB 3.2Å; L180-S240 PolarHBondContact O-OG 3Å |
| 181 | D | 94.8 | Very high | 97.4 | Very high | 26 Ų | 26 | 24.1 Ų | 24.1 | 14% | 0.139 | 13% | 0.133 | C | C | . | . | trans | -78.5 | 114.9 | -174.9 | 170.6 | 14.1 | 0 | 0 | 0 | 111.3 | S179 A183 K184 V185 W235 | S179-D181 PolarHBondContact OG-N 2.96Å; S179-D181 PolarHBondContact OG-O 2.63Å; D181-A183 PolarHBondContact O-N 2.89Å; D181-A183 WeakPolarHBondContact OD1-CB 3.38Å; D181-A183 PolarHBondContact OD1-N 3.23Å; D181-K184 HydrophobicContact CB-CD 4.13Å; D181-K184 HydrophobicContact CB-CG 4.4Å; D181-K184 WeakPolarHBondContact O-CB 3.42Å; D181-K184 PolarHBondContact O-N 3.5Å; D181-V185 WeakPolarHBondContact O-CG2 3.19Å; D181-V185 PolarHBondContact O-N 3.09Å; D181-W235 PolarHBondContact OD1-NE1 3Å; D181-W235 VanDerWaalsContact OD1-NE1 3.11Å | ||
| 182 | N | 93.7 | Very high | 97.6 | Very high | 19 Ų | 19 | 26 Ų | 26 | 10% | 0.102 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -54.1 | -34.4 | -179.2 | -66.3 | -7 | 0 | 0 | 0 | 113.6 | L180 K184 V185 D186 Y234 Y243 | L180-N182 PolarHBondContact O-N 3.44Å; N182-K184 VanDerWaalsContact C-N 3.33Å; N182-K184 PolarHBondContact O-N 2.74Å; N182-V185 WeakPolarHBondContact O-CB 3.46Å; N182-V185 PolarHBondContact O-N 3.29Å; N182-D186 PolarHBondContact O-N 3.21Å; N182-Y234 WeakPolarHBondContact ND2-CB 3.48Å; N182-Y243 HydrophobicContact CB-CD1 3.82Å; N182-Y243 HydrophobicContact CB-CE1 3.67Å; N182-Y243 HydrophobicContact CB-CE2 4.44Å; N182-Y243 HydrophobicContact CB-CG 4.27Å; N182-Y243 VanDerWaalsContact CG-CG 3.44Å; N182-Y243 WeakPolarHBondContact OD1-CB 3.26Å; N182-Y243 VanDerWaalsContact OD1-CD1 3.22Å; N182-Y243 WeakPolarHBondContact OD1-CD1 3.41Å; N182-Y243 VanDerWaalsContact OD1-CG 3.32Å |
| 183 | A | 94.6 | Very high | 97.7 | Very high | 63 Ų | 63 | 27.8 Ų | 27.8 | 52% | 0.521 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.9 | -40 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D181 D186 A187 | D181-A183 PolarHBondContact O-N 2.89Å; D181-A183 WeakPolarHBondContact OD1-CB 3.38Å; D181-A183 PolarHBondContact OD1-N 3.23Å; A183-D186 PolarHBondContact O-N 2.76Å; A183-A187 WeakPolarHBondContact O-CB 3.3Å; A183-A187 PolarHBondContact O-N 3.47Å |
| 184 | K | 96.7 | Very high | 97.7 | Very high | 73 Ų | 73 | 26.2 Ų | 26.2 | 32% | 0.317 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -68.5 | -38.3 | 172.5 | -67.2 | 171.4 | -177.1 | 160.7 | 0 | 111.4 | Y140 S179 D181 N182 D186 A187 G188 Y189 | Y140-K184 HydrophobicContact CD1-CD 4.43Å; Y140-K184 HydrophobicContact CD2-CD 3.51Å; Y140-K184 HydrophobicContact CE2-CD 3.91Å; Y140-K184 HydrophobicContact CG-CD 3.8Å; S179-K184 WeakPolarHBondContact OG-CD 3.33Å; D181-K184 HydrophobicContact CB-CD 4.13Å; D181-K184 HydrophobicContact CB-CG 4.4Å; D181-K184 WeakPolarHBondContact O-CB 3.42Å; D181-K184 PolarHBondContact O-N 3.5Å; N182-K184 VanDerWaalsContact C-N 3.33Å; N182-K184 PolarHBondContact O-N 2.74Å; K184-D186 VanDerWaalsContact C-N 3.34Å; K184-D186 PolarHBondContact O-N 2.81Å; K184-A187 PolarHBondContact O-N 3.03Å; K184-G188 PolarHBondContact O-N 3.19Å; K184-Y189 VanDerWaalsContact O-CD2 3.3Å; K184-Y189 WeakPolarHBondContact O-CD2 3.49Å |
| 185 | V | 97.2 | Very high | 97.7 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -56.3 | -50.3 | 173.5 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | D181 N182 A187 Y189 Y243 W244 K247 | D181-V185 WeakPolarHBondContact O-CG2 3.19Å; D181-V185 PolarHBondContact O-N 3.09Å; N182-V185 WeakPolarHBondContact O-CB 3.46Å; N182-V185 PolarHBondContact O-N 3.29Å; V185-A187 VanDerWaalsContact C-N 3.34Å; V185-A187 PolarHBondContact O-N 3.26Å; V185-Y189 WeakPolarHBondContact O-CB 3.47Å; V185-Y189 PolarHBondContact O-N 3.37Å; V185-Y189 VanDerWaalsContact O-N 3.16Å; V185-Y243 HydrophobicContact CB-CD1 4.31Å; V185-Y243 HydrophobicContact CB-CE1 4.17Å; V185-Y243 HydrophobicContact CG1-CD1 4.21Å; V185-Y243 HydrophobicContact CG1-CE1 4.16Å; V185-W244 HydrophobicContact CB-CZ2 4.32Å; V185-W244 HydrophobicContact CG1-CD2 4.19Å; V185-W244 HydrophobicContact CG1-CE3 4.32Å; V185-W244 HydrophobicContact CG1-CH2 4.17Å; V185-W244 HydrophobicContact CG1-CZ2 4Å; V185-W244 HydrophobicContact CG1-CZ3 4.32Å; V185-W244 HydrophobicContact CG2-CD2 4.37Å; V185-W244 HydrophobicContact CG2-CH2 4.48Å; V185-W244 HydrophobicContact CG2-CZ2 3.57Å; V185-K247 HydrophobicContact CG1-CG 4.23Å |
| 186 | D | 97.6 | Very high | 97.7 | Very high | 58 Ų | 58 | 32 Ų | 32 | 31% | 0.31 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -67 | -32.7 | 179.6 | -76 | -34.3 | 0 | 0 | 0 | 113.6 | K146 N182 A183 K184 Y243 K247 | K146-D186 WeakPolarHBondContact CE-O 3.3Å; K146-D186 PolarHBondContact NZ-O 2.91Å; N182-D186 PolarHBondContact O-N 3.21Å; A183-D186 PolarHBondContact O-N 2.76Å; K184-D186 VanDerWaalsContact C-N 3.34Å; K184-D186 PolarHBondContact O-N 2.81Å; D186-Y243 PolarHBondContact OD1-OH 3.29Å; D186-Y243 PolarHBondContact OD2-OH 3.17Å; D186-K247 WeakPolarHBondContact OD1-CE 3.06Å; D186-K247 IonicContact OD1-NZ 2.68Å; D186-K247 PolarHBondContact OD1-NZ 2.97Å |
| 187 | A | 98.1 | Very high | 97.7 | Very high | 33 Ų | 33 | 33.2 Ų | 33.2 | 27% | 0.273 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -77 | -52.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D142 A143 K146 A183 K184 V185 | D142-A187 CarbonylContact C-O 3.55Å; D142-A187 VanDerWaalsContact C-O 3.32Å; A143-A187 WeakPolarHBondContact CA-O 3.33Å; A143-A187 PolarHBondContact N-O 3.4Å; K146-A187 WeakPolarHBondContact CE-O 3.21Å; A183-A187 WeakPolarHBondContact O-CB 3.3Å; A183-A187 PolarHBondContact O-N 3.47Å; K184-A187 PolarHBondContact O-N 3.03Å; V185-A187 VanDerWaalsContact C-N 3.34Å; V185-A187 PolarHBondContact O-N 3.26Å |
| 188 | G | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -99.6 | -14.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | P141 K146 K184 | P141-G188 WeakPolarHBondContact O-CA 3.13Å; K146-G188 WeakPolarHBondContact CA-O 3.28Å; K184-G188 PolarHBondContact O-N 3.19Å |
| 189 | Y | 98.7 | Very high | 97.6 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.016 | 19% | 0.185 | C | C | . | . | trans | -125.6 | 141.9 | -165.5 | -54.6 | -95.7 | 0 | 0 | 0 | 113 | Y140 P141 F149 V178 K184 V185 L194 W198 W244 | Y140-Y189 WeakPolarHBondContact CD1-OH 3.49Å; P141-Y189 HydrophobicContact CG-CE1 4.01Å; P141-Y189 HydrophobicContact CG-CE2 4.03Å; F149-Y189 HydrophobicContact CD1-CD1 4.23Å; F149-Y189 HydrophobicContact CD1-CE1 4.43Å; F149-Y189 AromaticContact CE1-CD1 3.81Å; F149-Y189 HydrophobicContact CE1-CD1 3.81Å; F149-Y189 AromaticContact CE1-CE1 3.75Å; F149-Y189 HydrophobicContact CE1-CE1 3.75Å; V178-Y189 HydrophobicContact CB-CE1 4.35Å; V178-Y189 HydrophobicContact CG1-CE1 3.97Å; K184-Y189 VanDerWaalsContact O-CD2 3.3Å; K184-Y189 WeakPolarHBondContact O-CD2 3.49Å; V185-Y189 WeakPolarHBondContact O-CB 3.47Å; V185-Y189 PolarHBondContact O-N 3.37Å; V185-Y189 VanDerWaalsContact O-N 3.16Å; Y189-L194 HydrophobicContact CD1-CD1 4.01Å; Y189-W198 HydrophobicContact CD1-CH2 4.23Å; Y189-W198 HydrophobicContact CE1-CH2 4.49Å; Y189-W244 AromaticContact CD1-CH2 3.67Å; Y189-W244 HydrophobicContact CD1-CH2 3.67Å; Y189-W244 HydrophobicContact CD2-CH2 4.14Å; Y189-W244 HydrophobicContact CD2-CZ2 4.47Å; Y189-W244 HydrophobicContact CE1-CH2 4.18Å; Y189-W244 AromaticContact CG-CH2 3.62Å; Y189-W244 HydrophobicContact CG-CH2 3.62Å; Y189-W244 HydrophobicContact CG-CZ2 4.37Å; Y189-W244 HydrophobicContact CG-CZ3 4.46Å | ||
| 190 | D | 98.6 | Very high | 97.7 | Very high | 62 Ų | 62 | 35.5 Ų | 35.5 | 33% | 0.332 | 19% | 0.186 | S | C | . | . | trans | -110.1 | 87.4 | 160.3 | -172.1 | -31.7 | 0 | 0 | 0 | 107.6 | V150 K192 E193 L194 | V150-D190 HydrophobicContact CG2-CB 3.75Å; D190-K192 PolarHBondContact O-N 2.88Å; D190-K192 PolarHBondContact OD1-N 3.49Å; D190-E193 HydrophobicContact CB-CB 4.18Å; D190-E193 PolarHBondContact O-N 2.77Å; D190-E193 PolarHBondContact OD1-N 3.11Å; D190-L194 WeakPolarHBondContact O-CB 3.42Å; D190-L194 WeakPolarHBondContact O-CD1 3.46Å; D190-L194 WeakPolarHBondContact O-CG 3.08Å; D190-L194 PolarHBondContact O-N 3.31Å | ||
| 191 | A | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 2% | 0.017 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.7 | -36.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S195 W244 K247 M249 | A191-S195 VanDerWaalsContact O-CB 3.3Å; A191-S195 WeakPolarHBondContact O-CB 3.1Å; A191-S195 PolarHBondContact O-N 3.03Å; A191-W244 HydrophobicContact CB-CE3 3.75Å; A191-W244 HydrophobicContact CB-CZ3 3.77Å; A191-K247 HydrophobicContact CB-CB 3.73Å; A191-M249 HydrophobicContact CB-CB 4.39Å |
| 192 | K | 98.6 | Very high | 98 | Very high | 132 Ų | 132 | 33.3 Ų | 33.3 | 57% | 0.574 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -67 | -47.4 | 178.7 | -175.6 | 179.8 | 179 | -178.5 | 0 | 111.5 | D190 S195 | D190-K192 PolarHBondContact O-N 2.88Å; D190-K192 PolarHBondContact OD1-N 3.49Å; K192-S195 PolarHBondContact O-OG 3.32Å |
| 193 | E | 98.7 | Very high | 98.2 | Very high | 53 Ų | 53 | 32.4 Ų | 32.4 | 25% | 0.248 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.5 | -43.4 | 177.3 | -70.8 | -57.2 | 126.2 | 0 | 0 | 111.9 | V150 D190 S195 K196 Y197 | V150-E193 HydrophobicContact CG1-CB 3.9Å; V150-E193 HydrophobicContact CG2-CB 4.31Å; D190-E193 HydrophobicContact CB-CB 4.18Å; D190-E193 PolarHBondContact O-N 2.77Å; D190-E193 PolarHBondContact OD1-N 3.11Å; E193-S195 VanDerWaalsContact C-N 3.27Å; E193-S195 PolarHBondContact O-N 3.03Å; E193-K196 WeakPolarHBondContact O-CB 3.29Å; E193-K196 PolarHBondContact O-N 2.9Å; E193-K196 VanDerWaalsContact O-N 3.14Å; E193-K196 WeakPolarHBondContact OE1-CE 3.48Å; E193-K196 IonicContact OE1-NZ 2.68Å; E193-K196 PolarHBondContact OE1-NZ 2.77Å; E193-K196 IonicContact OE2-NZ 2.9Å; E193-K196 PolarHBondContact OE2-NZ 3.41Å; E193-Y197 WeakPolarHBondContact O-CD2 3.46Å; E193-Y197 WeakPolarHBondContact O-CE2 3.45Å |
| 194 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -32.8 | 179.3 | -67.3 | 164.2 | 0 | 0 | 0 | 112.4 | F149 V150 N153 Y189 D190 K196 Y197 W198 | F149-L194 HydrophobicContact CD1-CD1 4.15Å; F149-L194 HydrophobicContact CD1-CD2 4.31Å; F149-L194 HydrophobicContact CE1-CD1 4.17Å; F149-L194 HydrophobicContact CE1-CD2 4.39Å; V150-L194 HydrophobicContact CG2-CD2 4.26Å; V150-L194 HydrophobicContact CG2-CG 4.24Å; N153-L194 HydrophobicContact CB-CD2 3.86Å; Y189-L194 HydrophobicContact CD1-CD1 4.01Å; D190-L194 WeakPolarHBondContact O-CB 3.42Å; D190-L194 WeakPolarHBondContact O-CD1 3.46Å; D190-L194 WeakPolarHBondContact O-CG 3.08Å; D190-L194 PolarHBondContact O-N 3.31Å; L194-K196 PolarHBondContact O-N 3.23Å; L194-Y197 PolarHBondContact O-N 3.25Å; L194-W198 HydrophobicContact CB-CD2 4.08Å; L194-W198 HydrophobicContact CB-CE3 3.9Å; L194-W198 HydrophobicContact CB-CH2 3.96Å; L194-W198 HydrophobicContact CB-CZ2 4.1Å; L194-W198 HydrophobicContact CB-CZ3 3.84Å; L194-W198 HydrophobicContact CD1-CH2 3.58Å; L194-W198 HydrophobicContact CD1-CZ2 3.94Å; L194-W198 HydrophobicContact CD1-CZ3 4.14Å; L194-W198 HydrophobicContact CD2-CH2 4.24Å; L194-W198 HydrophobicContact CD2-CZ2 3.74Å; L194-W198 HydrophobicContact CG-CH2 4.12Å; L194-W198 HydrophobicContact CG-CZ2 4.12Å; L194-W198 HydrophobicContact CG-CZ3 4.49Å; L194-W198 PolarHBondContact O-N 2.96Å; L194-W198 VanDerWaalsContact O-N 3.08Å |
| 195 | S | 98.5 | Very high | 98.4 | Very high | 18 Ų | 18 | 26.5 Ų | 26.5 | 13% | 0.126 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -21.4 | 176.1 | 77.8 | 0 | 0 | 0 | 0 | 114.3 | A191 K192 E193 M249 K253 | A191-S195 VanDerWaalsContact O-CB 3.3Å; A191-S195 WeakPolarHBondContact O-CB 3.1Å; A191-S195 PolarHBondContact O-N 3.03Å; K192-S195 PolarHBondContact O-OG 3.32Å; E193-S195 VanDerWaalsContact C-N 3.27Å; E193-S195 PolarHBondContact O-N 3.03Å; S195-M249 VanDerWaalsContact CB-SD 3.58Å; S195-K253 PolarHBondContact O-NZ 3.31Å |
| 196 | K | 98.7 | Very high | 98.4 | Very high | 105 Ų | 105 | 27 Ų | 27 | 46% | 0.457 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -25.8 | 177.6 | -58 | 176 | -170.2 | 167.6 | 0 | 112.5 | E193 L194 | E193-K196 WeakPolarHBondContact O-CB 3.29Å; E193-K196 PolarHBondContact O-N 2.9Å; E193-K196 VanDerWaalsContact O-N 3.14Å; E193-K196 WeakPolarHBondContact OE1-CE 3.48Å; E193-K196 IonicContact OE1-NZ 2.68Å; E193-K196 PolarHBondContact OE1-NZ 2.77Å; E193-K196 IonicContact OE2-NZ 2.9Å; E193-K196 PolarHBondContact OE2-NZ 3.41Å; L194-K196 PolarHBondContact O-N 3.23Å |
| 197 | Y | 98.7 | Very high | 98.4 | Very high | 26 Ų | 26 | 26.9 Ų | 26.9 | 10% | 0.102 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | -36.1 | -169.6 | -50.8 | -50.6 | 0 | 0 | 0 | 112.6 | V150 N153 K154 H157 E193 L194 | V150-Y197 HydrophobicContact CG1-CE2 4.12Å; N153-Y197 HydrophobicContact CB-CD2 4.28Å; K154-Y197 HydrophobicContact CB-CD1 4.21Å; K154-Y197 HydrophobicContact CB-CD2 4.17Å; K154-Y197 HydrophobicContact CB-CE1 3.8Å; K154-Y197 HydrophobicContact CB-CE2 3.78Å; K154-Y197 HydrophobicContact CB-CG 4.39Å; K154-Y197 HydrophobicContact CD-CE1 4.36Å; K154-Y197 HydrophobicContact CG-CD1 4.4Å; K154-Y197 HydrophobicContact CG-CE1 3.67Å; K154-Y197 HydrophobicContact CG-CE2 4.39Å; H157-Y197 HydrophobicContact CB-CD1 4.08Å; H157-Y197 HydrophobicContact CB-CG 4.34Å; H157-Y197 PolarHBondContact ND1-O 2.94Å; E193-Y197 WeakPolarHBondContact O-CD2 3.46Å; E193-Y197 WeakPolarHBondContact O-CE2 3.45Å; L194-Y197 PolarHBondContact O-N 3.25Å |
| 198 | W | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | trans | -77.3 | 138.3 | 177.5 | -63.1 | -22.9 | 0 | 0 | 0 | 111.8 | F149 N153 L174 A176 V178 Y189 L194 M201 M249 K253 | F149-W198 HydrophobicContact CE1-CH2 4.07Å; F149-W198 AromaticContact CE1-CZ2 3.72Å; F149-W198 HydrophobicContact CE1-CZ2 3.72Å; F149-W198 HydrophobicContact CZ-CH2 4.48Å; F149-W198 AromaticContact CZ-CZ2 3.82Å; F149-W198 HydrophobicContact CZ-CZ2 3.82Å; N153-W198 VanDerWaalsContact CG-NE1 3.26Å; N153-W198 PolarHBondContact OD1-NE1 2.86Å; L174-W198 CarbonylContact O-C 3.53Å; L174-W198 WeakPolarHBondContact O-CA 3.37Å; A176-W198 HydrophobicContact CB-CD2 4.15Å; A176-W198 HydrophobicContact CB-CH2 3.87Å; A176-W198 HydrophobicContact CB-CZ2 3.45Å; A176-W198 VanDerWaalsContact CB-CZ2 3.45Å; A176-W198 HydrophobicContact CB-CZ3 4.4Å; V178-W198 HydrophobicContact CG1-CH2 3.82Å; V178-W198 HydrophobicContact CG1-CZ3 3.97Å; Y189-W198 HydrophobicContact CD1-CH2 4.23Å; Y189-W198 HydrophobicContact CE1-CH2 4.49Å; L194-W198 HydrophobicContact CB-CD2 4.08Å; L194-W198 HydrophobicContact CB-CE3 3.9Å; L194-W198 HydrophobicContact CB-CH2 3.96Å; L194-W198 HydrophobicContact CB-CZ2 4.1Å; L194-W198 HydrophobicContact CB-CZ3 3.84Å; L194-W198 HydrophobicContact CD1-CH2 3.58Å; L194-W198 HydrophobicContact CD1-CZ2 3.94Å; L194-W198 HydrophobicContact CD1-CZ3 4.14Å; L194-W198 HydrophobicContact CD2-CH2 4.24Å; L194-W198 HydrophobicContact CD2-CZ2 3.74Å; L194-W198 HydrophobicContact CG-CH2 4.12Å; L194-W198 HydrophobicContact CG-CZ2 4.12Å; L194-W198 HydrophobicContact CG-CZ3 4.49Å; L194-W198 PolarHBondContact O-N 2.96Å; L194-W198 VanDerWaalsContact O-N 3.08Å; W198-M201 HydrophobicContact CE3-CB 3.94Å; W198-M201 HydrophobicContact CZ3-CB 4.1Å; W198-M201 HydrophobicContact CZ3-SD 4.27Å; W198-M249 HydrophobicContact CE3-CE 3.59Å; W198-M249 HydrophobicContact CZ3-CE 3.87Å; W198-K253 PolarHBondContact O-NZ 3.35Å | ||
| 199 | D | 98.5 | Very high | 98.3 | Very high | 42 Ų | 42 | 27.3 Ų | 27.3 | 23% | 0.225 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -63.9 | -47.8 | 165.9 | -75.2 | -81.4 | 0 | 0 | 0 | 109.9 | K171 Y173 L174 K253 | K171-D199 WeakPolarHBondContact CE-OD1 3.5Å; K171-D199 IonicContact NZ-OD1 2.82Å; K171-D199 PolarHBondContact NZ-OD1 2.94Å; Y173-D199 VanDerWaalsContact CA-OD2 3.3Å; Y173-D199 WeakPolarHBondContact CA-OD2 3.38Å; Y173-D199 HydrophobicContact CD1-CB 4.24Å; L174-D199 PolarHBondContact N-OD2 3Å; L174-D199 PolarHBondContact O-N 3.07Å; D199-K253 WeakPolarHBondContact O-CD 3.41Å; D199-K253 WeakPolarHBondContact O-CE 3.17Å; D199-K253 WeakPolarHBondContact O-CG 3.42Å |
| 200 | F | 98.7 | Very high | 98.2 | Very high | 7 Ų | 7 | 27.1 Ų | 27.1 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 170 | 170.4 | 58.7 | -99 | 0 | 0 | 0 | 110.2 | V20 Y50 F52 T175 K253 I255 | V20-F200 HydrophobicContact CG1-CE1 4.22Å; V20-F200 HydrophobicContact CG1-CE2 4.18Å; V20-F200 HydrophobicContact CG1-CZ 3.97Å; V20-F200 HydrophobicContact CG2-CD1 4.27Å; V20-F200 HydrophobicContact CG2-CE1 4.38Å; Y50-F200 HydrophobicContact CD1-CE1 4.05Å; Y50-F200 AromaticContact CD1-CZ 3.93Å; Y50-F200 HydrophobicContact CD1-CZ 3.93Å; Y50-F200 HydrophobicContact CD2-CE1 4.24Å; Y50-F200 HydrophobicContact CD2-CZ 4.13Å; Y50-F200 AromaticContact CE1-CE1 3.83Å; Y50-F200 HydrophobicContact CE1-CE1 3.83Å; Y50-F200 HydrophobicContact CE1-CZ 4.2Å; Y50-F200 HydrophobicContact CE2-CE1 4.03Å; Y50-F200 HydrophobicContact CE2-CZ 4.39Å; Y50-F200 HydrophobicContact CG-CE1 4.26Å; Y50-F200 AromaticContact CG-CZ 3.9Å; Y50-F200 HydrophobicContact CG-CZ 3.9Å; Y50-F200 AromaticContact CZ-CE1 3.83Å; F52-F200 HydrophobicContact CE1-CE2 4.3Å; F52-F200 HydrophobicContact CE1-CZ 4.35Å; F52-F200 AromaticContact CZ-CE2 3.75Å; F52-F200 HydrophobicContact CZ-CE2 3.75Å; F52-F200 AromaticContact CZ-CZ 3.88Å; F52-F200 HydrophobicContact CZ-CZ 3.88Å; T175-F200 WeakPolarHBondContact CA-O 3.46Å; T175-F200 WeakPolarHBondContact CB-O 3.49Å; T175-F200 HydrophobicContact CG2-CD1 4.13Å; T175-F200 HydrophobicContact CG2-CD2 3.8Å; T175-F200 HydrophobicContact CG2-CE1 3.82Å; T175-F200 HydrophobicContact CG2-CE2 3.47Å; T175-F200 VanDerWaalsContact CG2-CE2 3.47Å; T175-F200 HydrophobicContact CG2-CG 4.13Å; T175-F200 HydrophobicContact CG2-CZ 3.49Å; T175-F200 VanDerWaalsContact CG2-CZ 3.49Å; F200-K253 CarbonylContact C-O 3.52Å; F200-K253 WeakPolarHBondContact CA-O 3.11Å; F200-K253 HydrophobicContact CB-CB 4.39Å; F200-K253 WeakPolarHBondContact CB-O 3.39Å; F200-I255 HydrophobicContact CB-CD1 4.08Å; F200-I255 HydrophobicContact CB-CG1 3.86Å; F200-I255 HydrophobicContact CD2-CB 4.4Å; F200-I255 HydrophobicContact CD2-CD1 4.3Å; F200-I255 HydrophobicContact CD2-CG1 3.34Å; F200-I255 HydrophobicContact CE2-CG1 4.03Å; F200-I255 HydrophobicContact CG-CD1 4.25Å; F200-I255 HydrophobicContact CG-CG1 3.77Å |
| 201 | M | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.1 | 173.8 | 70.2 | 179.8 | -167.9 | 0 | 0 | 111.5 | A176 V178 W198 W244 M249 K253 I254 I255 | A176-M201 CarbonylContact O-C 3.4Å; A176-M201 WeakPolarHBondContact O-CA 3.46Å; V178-M201 HydrophobicContact CG1-CB 4.29Å; V178-M201 HydrophobicContact CG1-SD 4.46Å; V178-M201 HydrophobicContact CG2-CB 4.32Å; V178-M201 HydrophobicContact CG2-CE 4.35Å; V178-M201 HydrophobicContact CG2-CG 4.2Å; V178-M201 HydrophobicContact CG2-SD 3.74Å; W198-M201 HydrophobicContact CE3-CB 3.94Å; W198-M201 HydrophobicContact CZ3-CB 4.1Å; W198-M201 HydrophobicContact CZ3-SD 4.27Å; M201-W244 HydrophobicContact CE-CB 3.58Å; M201-W244 HydrophobicContact CE-CD2 3.46Å; M201-W244 VanDerWaalsContact CE-CD2 3.46Å; M201-W244 HydrophobicContact CE-CE3 3.6Å; M201-W244 HydrophobicContact CE-CG 3.46Å; M201-W244 VanDerWaalsContact CE-CG 3.46Å; M201-W244 HydrophobicContact CE-CZ3 4.41Å; M201-W244 HydrophobicContact SD-CD2 3.93Å; M201-W244 HydrophobicContact SD-CE3 3.61Å; M201-W244 HydrophobicContact SD-CH2 4.36Å; M201-W244 HydrophobicContact SD-CZ3 3.84Å; M201-M249 HydrophobicContact CE-CB 4.13Å; M201-M249 HydrophobicContact CE-CG 3.69Å; M201-M249 HydrophobicContact CG-CG 4.41Å; M201-M249 HydrophobicContact SD-CB 4.47Å; M201-M249 HydrophobicContact SD-CE 3.8Å; M201-M249 HydrophobicContact SD-CG 3.8Å; M201-M249 HydrophobicContact SD-SD 4.36Å; M201-K253 PolarHBondContact N-O 2.95Å; M201-I254 HydrophobicContact CE-CB 4.04Å; M201-I254 HydrophobicContact CE-CD1 3.86Å; M201-I254 HydrophobicContact CE-CG1 3.52Å; M201-I254 HydrophobicContact CE-CG2 3.83Å; M201-I255 WeakPolarHBondContact O-CB 3.38Å; M201-I255 WeakPolarHBondContact O-CG1 3.35Å; M201-I255 PolarHBondContact O-N 3.32Å |
| 202 | N | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 103.1 | 174.2 | -71.1 | -24.6 | 0 | 0 | 0 | 108.4 | Y24 F52 A176 A177 V178 M204 F359 | Y24-N202 PolarHBondContact OH-ND2 2.98Å; F52-N202 WeakPolarHBondContact CE2-ND2 3.46Å; F52-N202 WeakPolarHBondContact CZ-ND2 3.1Å; A176-N202 PolarHBondContact O-N 2.94Å; A177-N202 CarbonylContact C-O 3.55Å; A177-N202 WeakPolarHBondContact CA-O 3.21Å; V178-N202 PolarHBondContact N-O 2.9Å; N202-M204 PolarHBondContact O-N 3.08Å; N202-F359 VanDerWaalsContact CA-CE1 3.5Å; N202-F359 HydrophobicContact CB-CD1 3.71Å; N202-F359 HydrophobicContact CB-CE1 3.42Å; N202-F359 VanDerWaalsContact CB-CE1 3.42Å; N202-F359 HydrophobicContact CB-CE2 4.31Å; N202-F359 HydrophobicContact CB-CG 4.28Å; N202-F359 HydrophobicContact CB-CZ 3.75Å |
| 203 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 108.8 | 175.3 | -179.7 | 62.2 | 0 | 0 | 0 | 109.6 | V178 L180 S205 A241 I254 I255 I256 G257 F359 | V178-L203 HydrophobicContact CG2-CD1 4.11Å; L180-L203 HydrophobicContact CB-CD1 4.47Å; L203-S205 PolarHBondContact O-N 3.46Å; L203-S205 PolarHBondContact O-OG 3.41Å; L203-A241 HydrophobicContact CD2-CB 3.95Å; L203-I254 HydrophobicContact CB-CG2 4.4Å; L203-I254 HydrophobicContact CD2-CG2 4.41Å; L203-I255 PolarHBondContact N-O 3.09Å; L203-I256 HydrophobicContact CD2-CD1 4.11Å; L203-G257 WeakPolarHBondContact O-CA 3.15Å; L203-G257 PolarHBondContact O-N 3.3Å; L203-F359 VanDerWaalsContact O-CE1 3.29Å; L203-F359 WeakPolarHBondContact O-CE1 3.46Å; L203-F359 WeakPolarHBondContact O-CZ 3.42Å |
| 204 | M | 98.4 | Very high | 98 | Very high | 11 Ų | 11 | 31 Ų | 31 | 5% | 0.054 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 73.7 | 178.4 | -63 | -169.7 | -76.6 | 0 | 0 | 110.5 | E139 Y140 A177 V178 L180 N202 Y206 F359 | E139-M204 HydrophobicContact CG-CE 3.91Å; Y140-M204 HydrophobicContact CE1-CE 3.68Å; A177-M204 HydrophobicContact CB-CE 4.02Å; A177-M204 HydrophobicContact CB-CG 4.05Å; A177-M204 HydrophobicContact CB-SD 3.82Å; V178-M204 WeakPolarHBondContact O-CB 3.44Å; V178-M204 PolarHBondContact O-N 3.1Å; L180-M204 WeakPolarHBondContact CD2-O 3.31Å; N202-M204 PolarHBondContact O-N 3.08Å; M204-Y206 HydrophobicContact CB-CE1 4.4Å; M204-Y206 HydrophobicContact CB-CE2 3.84Å; M204-Y206 HydrophobicContact CG-CE2 4.3Å; M204-Y206 WeakPolarHBondContact CG-OH 3.41Å; M204-Y206 PolarHBondContact O-N 3.36Å; M204-Y206 VanDerWaalsContact O-N 3.09Å; M204-F359 HydrophobicContact CG-CZ 4.42Å |
| 205 | S | 96.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 16% | 0.164 | C | C | . | . | trans | -88 | 48.4 | -172.5 | 52.2 | 0 | 0 | 0 | 0 | 113.3 | L203 S220 G257 | L203-S205 PolarHBondContact O-N 3.46Å; L203-S205 PolarHBondContact O-OG 3.41Å; S205-S220 WeakPolarHBondContact O-CB 3.3Å; S205-S220 PolarHBondContact O-OG 3.3Å; S205-G257 PolarHBondContact OG-N 3.32Å; S205-G257 PolarHBondContact OG-O 3.04Å | ||
| 206 | Y | 97.4 | Very high | 97.9 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 4% | 0.039 | 16% | 0.158 | C | C | . | . | trans | -142.4 | 179.7 | 177.8 | 40.5 | -106.8 | 0 | 0 | 0 | 108.6 | L180 M204 V208 N219 A259 Y261 F359 W361 | L180-Y206 WeakPolarHBondContact CD2-O 3.33Å; M204-Y206 HydrophobicContact CB-CE1 4.4Å; M204-Y206 HydrophobicContact CB-CE2 3.84Å; M204-Y206 HydrophobicContact CG-CE2 4.3Å; M204-Y206 WeakPolarHBondContact CG-OH 3.41Å; M204-Y206 PolarHBondContact O-N 3.36Å; M204-Y206 VanDerWaalsContact O-N 3.09Å; Y206-V208 PolarHBondContact O-N 2.64Å; Y206-N219 CarbonylContact C-O 3.57Å; Y206-N219 WeakPolarHBondContact CA-O 3.18Å; Y206-A259 HydrophobicContact CD1-CB 4.32Å; Y206-A259 HydrophobicContact CG-CB 4.37Å; Y206-Y261 WeakPolarHBondContact CB-OH 3.37Å; Y206-Y261 WeakPolarHBondContact CD2-OH 3.05Å; Y206-Y261 HydrophobicContact CG-CE1 4.4Å; Y206-F359 HydrophobicContact CE1-CE2 4.08Å; Y206-F359 HydrophobicContact CE1-CZ 4.09Å; Y206-W361 HydrophobicContact CE1-CB 3.7Å; Y206-W361 HydrophobicContact CE1-CG 4.48Å; Y206-W361 HydrophobicContact CE2-CB 4.43Å; Y206-W361 HydrophobicContact CE2-CG 4.37Å; Y206-W361 AromaticContact CZ-CG 3.94Å; Y206-W361 WeakPolarHBondContact OH-CB 3.49Å | ||
| 207 | D | 97 | Very high | 97.8 | Very high | 57 Ų | 57 | 29.2 Ų | 29.2 | 31% | 0.305 | 14% | 0.137 | S | C | . | . | trans | 64.2 | 27.2 | -176 | -58.5 | -17.6 | 0 | 0 | 0 | 114 | H209 W212 N219 Y261 R263 | D207-H209 VanDerWaalsContact C-N 3.33Å; D207-W212 HydrophobicContact CB-CH2 4.12Å; D207-W212 WeakPolarHBondContact O-CZ2 3.45Å; D207-N219 WeakPolarHBondContact CA-OD1 3.32Å; D207-N219 PolarHBondContact N-O 2.86Å; D207-N219 VanDerWaalsContact N-O 3.13Å; D207-N219 PolarHBondContact N-OD1 3.2Å; D207-N219 PolarHBondContact OD1-OD1 3.01Å; D207-Y261 PolarHBondContact OD1-OH 2.63Å; D207-R263 VanDerWaalsContact CG-NE 3.33Å; D207-R263 IonicContact OD1-CZ 3.16Å; D207-R263 IonicContact OD1-NE 3.3Å; D207-R263 PolarHBondContact OD1-NE 2.79Å; D207-R263 IonicContact OD1-NH2 2.76Å; D207-R263 PolarHBondContact OD1-NH2 2.9Å; D207-R263 IonicContact OD2-CZ 3.83Å; D207-R263 IonicContact OD2-NH2 2.75Å; D207-R263 PolarHBondContact OD2-NH2 2.81Å | ||
| 208 | V | 96.9 | Very high | 97.8 | Very high | 13 Ų | 13 | 28.2 Ų | 28.2 | 8% | 0.079 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -64.2 | -41.9 | 176.8 | -179 | 0 | 0 | 0 | 0 | 110.9 | L180 Y206 N219 P221 W235 | L180-V208 HydrophobicContact CD1-CG2 3.72Å; L180-V208 HydrophobicContact CD2-CG2 4.03Å; Y206-V208 PolarHBondContact O-N 2.64Å; V208-N219 WeakPolarHBondContact CG2-O 3.44Å; V208-N219 PolarHBondContact N-O 2.74Å; V208-P221 HydrophobicContact CB-CG 4.18Å; V208-P221 HydrophobicContact CG1-CG 4.11Å; V208-P221 HydrophobicContact CG2-CG 3.99Å; V208-W235 HydrophobicContact CG1-CB 4.33Å; V208-W235 WeakPolarHBondContact CG1-O 3.49Å |
| 209 | H | 97 | Very high | 97.7 | Very high | 29 Ų | 29 | 28.1 Ų | 28.1 | 13% | 0.134 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -134.8 | 143.4 | 175.2 | -67.7 | -66.8 | 0 | 0 | 0 | 110.8 | D207 E213 V218 R263 W265 | D207-H209 VanDerWaalsContact C-N 3.33Å; H209-E213 WeakPolarHBondContact CA-OE2 3.42Å; H209-E213 VanDerWaalsContact CB-OE2 3.29Å; H209-E213 WeakPolarHBondContact CB-OE2 3.37Å; H209-E213 IonicContact CE1-OE1 2.69Å; H209-E213 IonicContact CG-OE2 2.7Å; H209-E213 IonicContact ND1-OE1 2.65Å; H209-E213 PolarHBondContact ND1-OE1 2.88Å; H209-E213 IonicContact ND1-OE2 3.11Å; H209-E213 PolarHBondContact ND1-OE2 3.23Å; H209-V218 PolarHBondContact CD2-O 3.39Å; H209-V218 PolarHBondContact N-O 3.23Å; H209-R263 WeakPolarHBondContact O-CD 3.19Å; H209-W265 HydrophobicContact CB-CH2 4.04Å; H209-W265 HydrophobicContact CB-CZ2 4.21Å |
| 210 | G | 97.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -157.6 | 178.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | W212 E213 W265 | G210-W212 PolarHBondContact O-N 2.81Å; G210-E213 PolarHBondContact O-N 2.68Å; G210-W265 VanDerWaalsContact C-CE2 3.45Å; G210-W265 VanDerWaalsContact N-CZ2 3.3Å; G210-W265 WeakPolarHBondContact O-CZ2 3.41Å; G210-W265 PolarHBondContact O-NE1 3.35Å; G210-W265 VanDerWaalsContact O-NE1 3.16Å | ||
| 211 | G | 97.1 | Very high | 97.4 | Very high | 13 Ų | 13 | 26.1 Ų | 26.1 | 13% | 0.134 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -3.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 212 | W | 97.1 | Very high | 97.2 | Very high | 148 Ų | 148 | 26.1 Ų | 26.1 | 56% | 0.561 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73 | -12.8 | 167 | 55.2 | 85.3 | 0 | 0 | 0 | 113.1 | D207 G210 | D207-W212 HydrophobicContact CB-CH2 4.12Å; D207-W212 WeakPolarHBondContact O-CZ2 3.45Å; G210-W212 PolarHBondContact O-N 2.81Å |
| 213 | E | 97.7 | Very high | 96.9 | Very high | 44 Ų | 44 | 29.6 Ų | 29.6 | 21% | 0.206 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -101.6 | 144.3 | 175.4 | -57.6 | 175.3 | 136.2 | 0 | 0 | 111.1 | H209 G210 K215 W265 | H209-E213 WeakPolarHBondContact CA-OE2 3.42Å; H209-E213 VanDerWaalsContact CB-OE2 3.29Å; H209-E213 WeakPolarHBondContact CB-OE2 3.37Å; H209-E213 IonicContact CE1-OE1 2.69Å; H209-E213 IonicContact CG-OE2 2.7Å; H209-E213 IonicContact ND1-OE1 2.65Å; H209-E213 PolarHBondContact ND1-OE1 2.88Å; H209-E213 IonicContact ND1-OE2 3.11Å; H209-E213 PolarHBondContact ND1-OE2 3.23Å; G210-E213 PolarHBondContact O-N 2.68Å; E213-K215 PolarHBondContact O-N 2.88Å; E213-W265 VanDerWaalsContact O-CD1 3.28Å; E213-W265 PolarHBondContact O-NE1 2.95Å |
| 214 | M | 98 | Very high | 96.6 | Very high | 125 Ų | 125 | 31.4 Ų | 31.4 | 62% | 0.616 | 15% | 0.149 | S | C | * | . | S | Bend | trans | -86.4 | 25.4 | 177.3 | -63.3 | -62.8 | 173 | 0 | 0 | 113.4 | A279 | M214-A279 PolarHBondContact O-N 3.29Š|
| 215 | K | 97.8 | Very high | 96.4 | Very high | 85 Ų | 85 | 31.8 Ų | 31.8 | 37% | 0.37 | 15% | 0.149 | S | C | . | . | B | Isolated β-bridge | trans | -146.4 | 149.5 | 174.5 | 62.5 | 173.8 | -170 | 151.7 | 0 | 109.8 | E213 W265 D276 A277 | E213-K215 PolarHBondContact O-N 2.88Å; K215-W265 VanDerWaalsContact O-CE2 3.31Å; K215-W265 PolarHBondContact O-NE1 3.46Å; K215-D276 IonicContact NZ-OD1 2.77Å; K215-D276 PolarHBondContact NZ-OD1 3.46Å; K215-A277 CarbonylContact C-O 3.52Å; K215-A277 WeakPolarHBondContact CA-O 3.49Å |
| 216 | T | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | trans | -67.5 | 146.7 | 174.8 | 57.7 | 0 | 0 | 0 | 0 | 110.9 | W265 L267 G274 D276 A277 W327 | T216-W265 HydrophobicContact CG2-CB 4.1Å; T216-W265 HydrophobicContact CG2-CD2 4.37Å; T216-W265 HydrophobicContact CG2-CE3 4.45Å; T216-W265 HydrophobicContact CG2-CG 4.27Å; T216-L267 HydrophobicContact CG2-CD2 3.79Å; T216-G274 PolarHBondContact OG1-O 3.32Å; T216-D276 VanDerWaalsContact O-CA 3.3Å; T216-D276 WeakPolarHBondContact O-CA 3.29Å; T216-D276 PolarHBondContact O-N 3.23Å; T216-D276 PolarHBondContact OG1-N 3.38Å; T216-D276 VanDerWaalsContact OG1-N 3.13Å; T216-A277 HydrophobicContact CG2-CB 4.31Å; T216-A277 PolarHBondContact N-O 3.02Å; T216-A277 PolarHBondContact OG1-N 3.01Å; T216-W327 HydrophobicContact CG2-CB 4.08Å; T216-W327 HydrophobicContact CG2-CD2 3.56Å; T216-W327 HydrophobicContact CG2-CE3 3.8Å; T216-W327 HydrophobicContact CG2-CG 3.7Å; T216-W327 HydrophobicContact CG2-CZ3 4.41Å | ||
| 217 | G | 97.3 | Very high | 96 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | trans | -154.2 | 171 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | W265 W327 T329 | G217-W265 VanDerWaalsContact O-CH2 3.3Å; G217-W265 WeakPolarHBondContact O-CH2 3.33Å; G217-W265 WeakPolarHBondContact O-CZ3 3.36Å; G217-W327 VanDerWaalsContact O-CH2 3.3Å; G217-W327 WeakPolarHBondContact O-CH2 3.38Å; G217-W327 VanDerWaalsContact O-CZ3 3.23Å; G217-W327 WeakPolarHBondContact O-CZ3 3.28Å; G217-T329 WeakPolarHBondContact O-CG2 3.14Å | ||
| 218 | V | 97.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.03 | 19% | 0.194 | C | C | . | . | trans | -91.7 | 134.1 | -176.3 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | H209 P221 I275 T316 T318 | H209-V218 PolarHBondContact CD2-O 3.39Å; H209-V218 PolarHBondContact N-O 3.23Å; V218-P221 HydrophobicContact CB-CB 4.23Å; V218-P221 HydrophobicContact CB-CG 4.46Å; V218-P221 HydrophobicContact CG1-CB 3.84Å; V218-P221 HydrophobicContact CG1-CG 4.34Å; V218-I275 HydrophobicContact CG2-CD1 3.62Å; V218-I275 HydrophobicContact CG2-CG1 4.25Å; V218-I275 HydrophobicContact CG2-CG2 4.19Å; V218-T316 HydrophobicContact CB-CG2 4.49Å; V218-T316 HydrophobicContact CG2-CG2 4.06Å; V218-T318 HydrophobicContact CG1-CG2 3.67Å; V218-T318 WeakPolarHBondContact CG1-OG1 3.14Å | ||
| 219 | N | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -75.7 | -49.3 | -174.4 | 178.4 | 42.2 | 0 | 0 | 0 | 112.3 | Y206 D207 V208 R263 T329 | Y206-N219 CarbonylContact C-O 3.57Å; Y206-N219 WeakPolarHBondContact CA-O 3.18Å; D207-N219 WeakPolarHBondContact CA-OD1 3.32Å; D207-N219 PolarHBondContact N-O 2.86Å; D207-N219 VanDerWaalsContact N-O 3.13Å; D207-N219 PolarHBondContact N-OD1 3.2Å; D207-N219 PolarHBondContact OD1-OD1 3.01Å; V208-N219 WeakPolarHBondContact CG2-O 3.44Å; V208-N219 PolarHBondContact N-O 2.74Å; N219-R263 HydrophobicContact CB-CB 4.28Å; N219-R263 HydrophobicContact CB-CG 4.32Å; N219-R263 WeakPolarHBondContact OD1-CD 3.46Å; N219-T329 HydrophobicContact CB-CG2 3.56Å; N219-T329 PolarHBondContact N-OG1 3.23Å |
| 220 | S | 96.3 | Very high | 95 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -132 | 65.3 | -176.6 | -167.6 | 0 | 0 | 0 | 0 | 111.3 | S205 L222 D331 | S205-S220 WeakPolarHBondContact O-CB 3.3Å; S205-S220 PolarHBondContact O-OG 3.3Å; S220-L222 PolarHBondContact O-N 3Å; S220-D331 WeakPolarHBondContact CB-OD2 3.41Å |
| 221 | P | 94.9 | Very high | 94.3 | Very high | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | trans | -67.6 | 133.2 | -179.8 | 27.9 | -33 | 0 | 0 | 0 | 111.1 | V208 V218 N236 I237 T316 | V208-P221 HydrophobicContact CB-CG 4.18Å; V208-P221 HydrophobicContact CG1-CG 4.11Å; V208-P221 HydrophobicContact CG2-CG 3.99Å; V218-P221 HydrophobicContact CB-CB 4.23Å; V218-P221 HydrophobicContact CB-CG 4.46Å; V218-P221 HydrophobicContact CG1-CB 3.84Å; V218-P221 HydrophobicContact CG1-CG 4.34Å; P221-N236 HydrophobicContact CB-CB 4.27Å; P221-N236 HydrophobicContact CG-CB 4.06Å; P221-N236 WeakPolarHBondContact O-CA 3.31Å; P221-N236 VanDerWaalsContact O-CB 3.26Å; P221-N236 WeakPolarHBondContact O-CB 3.31Å; P221-I237 WeakPolarHBondContact O-CG1 3.48Å; P221-I237 PolarHBondContact O-N 3.05Å; P221-T316 HydrophobicContact CB-CG2 3.78Å | ||
| 222 | L | 92.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -72.7 | -45.2 | 172.7 | 172.8 | 56.1 | 0 | 0 | 0 | 111.2 | S220 N236 I237 A238 T316 K339 L346 W349 | S220-L222 PolarHBondContact O-N 3Å; L222-N236 PolarHBondContact O-OD1 3.37Å; L222-I237 HydrophobicContact CB-CD1 4.39Å; L222-I237 HydrophobicContact CD1-CB 4.07Å; L222-I237 HydrophobicContact CD1-CG2 4.26Å; L222-A238 HydrophobicContact CD1-CB 4.08Å; L222-A238 VanDerWaalsContact O-CB 3.25Å; L222-A238 WeakPolarHBondContact O-CB 3.39Å; L222-A238 PolarHBondContact O-N 3.06Å; L222-T316 PolarHBondContact N-O 2.91Å; L222-T316 VanDerWaalsContact N-O 3.1Å; L222-K339 HydrophobicContact CB-CD 3.8Å; L222-K339 HydrophobicContact CD2-CB 4.3Å; L222-K339 HydrophobicContact CD2-CD 3.58Å; L222-K339 HydrophobicContact CD2-CG 4.48Å; L222-K339 HydrophobicContact CG-CD 4.33Å; L222-L346 HydrophobicContact CD1-CD1 3.76Å; L222-L346 HydrophobicContact CD2-CD1 4.42Å; L222-W349 HydrophobicContact CD1-CD2 3.96Å; L222-W349 HydrophobicContact CD1-CE3 4Å; L222-W349 HydrophobicContact CD1-CG 4.39Å; L222-W349 HydrophobicContact CD1-CZ3 4.37Å |
| 223 | Y | 92.2 | Very high | 93.5 | Very high | 72 Ų | 72 | 49.1 Ų | 49.1 | 28% | 0.282 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -123.6 | 159.3 | 180 | -63.3 | -56 | 0 | 0 | 0 | 110.1 | A238 T316 K317 | Y223-A238 HydrophobicContact CD1-CB 3.79Å; Y223-A238 HydrophobicContact CE1-CB 3.63Å; Y223-T316 WeakPolarHBondContact O-CA 3.36Å; Y223-T316 WeakPolarHBondContact O-CG2 3.41Å; Y223-K317 HydrophobicContact CD2-CG 4.35Å |
| 224 | P | 93.1 | Very high | 93 | Very high | 38 Ų | 38 | 53.4 Ų | 53.4 | 25% | 0.247 | 26% | 0.264 | C | S | . | . | trans | -73.4 | 160.3 | 172.9 | 34.1 | -36.1 | 0 | 0 | 0 | 110.8 | K233 N236 | P224-K233 HydrophobicContact CB-CD 3.98Å; P224-K233 HydrophobicContact CG-CD 4.11Å; P224-K233 WeakPolarHBondContact CG-O 3.01Å; P224-N236 WeakPolarHBondContact CD-ND2 3.19Å | ||
| 225 | R | 93.5 | Very high | 92.7 | Very high | 19 Ų | 19 | 50.9 Ų | 50.9 | 7% | 0.072 | 25% | 0.248 | C | C | . | . | trans | -83 | 153.9 | 165.9 | -61.2 | -177.8 | -64.5 | 147.7 | 6.9 | 111.1 | T227 D228 K233 D276 E315 T316 | R225-T227 PolarHBondContact O-N 2.87Å; R225-D228 IonicContact CZ-OD1 3.6Å; R225-D228 PolarHBondContact N-OD2 2.64Å; R225-D228 IonicContact NE-OD1 3.56Å; R225-D228 PolarHBondContact NE-OD1 3.16Å; R225-D228 IonicContact NH2-OD1 2.98Å; R225-D228 PolarHBondContact NH2-OD1 3.26Å; R225-D228 WeakPolarHBondContact O-CB 3.36Å; R225-D228 PolarHBondContact O-N 2.68Å; R225-D228 VanDerWaalsContact O-N 3.07Å; R225-K233 PolarHBondContact O-NZ 3.35Å; R225-D276 IonicContact CZ-OD2 3.94Å; R225-D276 IonicContact NH1-OD2 2.76Å; R225-D276 PolarHBondContact NH1-OD2 3.03Å; R225-D276 IonicContact NH2-OD1 3.44Å; R225-D276 PolarHBondContact NH2-OD1 2.89Å; R225-D276 IonicContact NH2-OD2 2.67Å; R225-D276 PolarHBondContact NH2-OD2 3.19Å; R225-E315 HydrophobicContact CB-CB 4.45Å; R225-E315 HydrophobicContact CG-CB 4.09Å; R225-T316 HydrophobicContact CG-CG2 3.4Å; R225-T316 VanDerWaalsContact CG-CG2 3.4Å | ||
| 226 | S | 93.6 | Very high | 92.6 | Very high | 79 Ų | 79 | 47 Ų | 47 | 55% | 0.552 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -36.8 | 171.4 | 59.1 | 0 | 0 | 0 | 0 | 112 | K233 E315 | S226-K233 PolarHBondContact O-NZ 2.84Å; S226-E315 WeakPolarHBondContact CA-OE2 3.49Å; S226-E315 WeakPolarHBondContact CB-OE2 3.34Å; S226-E315 PolarHBondContact N-OE1 2.98Å; S226-E315 PolarHBondContact N-OE2 3.04Å; S226-E315 PolarHBondContact OG-OE1 2.79Å; S226-E315 PolarHBondContact OG-OE2 3.09Å |
| 227 | T | 92.4 | Very high | 92.4 | Very high | 96 Ų | 96 | 47 Ų | 47 | 59% | 0.589 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -12 | 179.5 | 56.9 | 0 | 0 | 0 | 0 | 115 | R225 | R225-T227 PolarHBondContact O-N 2.87Š|
| 228 | D | 92 | Very high | 92.2 | Very high | 28 Ų | 28 | 47.2 Ų | 47.2 | 15% | 0.15 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -65.3 | 143.2 | 177.8 | -65.6 | -21.2 | 0 | 0 | 0 | 110.1 | R225 A232 K233 | R225-D228 IonicContact CZ-OD1 3.6Å; R225-D228 PolarHBondContact N-OD2 2.64Å; R225-D228 IonicContact NE-OD1 3.56Å; R225-D228 PolarHBondContact NE-OD1 3.16Å; R225-D228 IonicContact NH2-OD1 2.98Å; R225-D228 PolarHBondContact NH2-OD1 3.26Å; R225-D228 WeakPolarHBondContact O-CB 3.36Å; R225-D228 PolarHBondContact O-N 2.68Å; R225-D228 VanDerWaalsContact O-N 3.07Å; D228-A232 HydrophobicContact CB-CB 4.5Å; D228-K233 WeakPolarHBondContact O-CE 3.47Å; D228-K233 PolarHBondContact O-NZ 3.3Å |
| 229 | A | 89.7 | Confident | 92.1 | Very high | 46 Ų | 46 | 47.3 Ų | 47.3 | 38% | 0.38 | 24% | 0.235 | S | C | . | . | trans | -61.1 | 150.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | W231 A232 K233 | A229-W231 HydrophobicContact CB-CG 4.37Å; A229-W231 VanDerWaalsContact CB-NE1 3.34Å; A229-W231 PolarHBondContact O-N 2.82Å; A229-W231 VanDerWaalsContact O-N 3.13Å; A229-A232 WeakPolarHBondContact O-CA 3.43Å; A229-A232 WeakPolarHBondContact O-CB 3.5Å; A229-A232 PolarHBondContact O-N 2.98Å; A229-K233 PolarHBondContact O-N 3.48Å | ||
| 230 | E | 88.1 | Confident | 92 | Very high | 152 Ų | 152 | 47.3 Ų | 47.3 | 71% | 0.71 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -53.8 | -38.6 | -176.8 | -72.4 | -59 | 115.3 | 0 | 0 | 113.5 | A232 K233 | E230-A232 VanDerWaalsContact C-N 3.25Å; E230-A232 PolarHBondContact O-N 3.41Å; E230-K233 WeakPolarHBondContact O-CB 3.41Å; E230-K233 WeakPolarHBondContact O-CG 3.3Å; E230-K233 PolarHBondContact O-N 3.13Å; E230-K233 WeakPolarHBondContact OE1-CE 3.43Å |
| 231 | W | 84.3 | Confident | 92 | Very high | 176 Ų | 176 | 47.3 Ų | 47.3 | 67% | 0.667 | 24% | 0.235 | S | C | * | . | G | 310 helix | trans | -68.8 | -23.1 | 177.7 | 63.7 | -98.7 | 0 | 0 | 0 | 113.1 | A229 W235 | A229-W231 HydrophobicContact CB-CG 4.37Å; A229-W231 VanDerWaalsContact CB-NE1 3.34Å; A229-W231 PolarHBondContact O-N 2.82Å; A229-W231 VanDerWaalsContact O-N 3.13Å; W231-W235 HydrophobicContact CE3-CH2 4.45Å; W231-W235 HydrophobicContact CE3-CZ2 4.36Å; W231-W235 HydrophobicContact CH2-CE3 4.29Å; W231-W235 HydrophobicContact CH2-CH2 4.08Å; W231-W235 AromaticContact CH2-CZ3 3.81Å; W231-W235 HydrophobicContact CH2-CZ3 3.81Å; W231-W235 AromaticContact CZ3-CD2 4Å; W231-W235 HydrophobicContact CZ3-CD2 4Å; W231-W235 AromaticContact CZ3-CE3 3.67Å; W231-W235 HydrophobicContact CZ3-CE3 3.67Å; W231-W235 AromaticContact CZ3-CH2 3.44Å; W231-W235 HydrophobicContact CZ3-CH2 3.44Å; W231-W235 VanDerWaalsContact CZ3-CH2 3.44Å; W231-W235 AromaticContact CZ3-CZ2 3.74Å; W231-W235 HydrophobicContact CZ3-CZ2 3.74Å; W231-W235 AromaticContact CZ3-CZ3 3.4Å; W231-W235 HydrophobicContact CZ3-CZ3 3.4Å; W231-W235 VanDerWaalsContact CZ3-CZ3 3.4Å |
| 232 | A | 86.9 | Confident | 92 | Very high | 14 Ų | 14 | 51.2 Ų | 51.2 | 12% | 0.116 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -93 | -4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D228 A229 E230 Y234 W235 | D228-A232 HydrophobicContact CB-CB 4.5Å; A229-A232 WeakPolarHBondContact O-CA 3.43Å; A229-A232 WeakPolarHBondContact O-CB 3.5Å; A229-A232 PolarHBondContact O-N 2.98Å; E230-A232 VanDerWaalsContact C-N 3.25Å; E230-A232 PolarHBondContact O-N 3.41Å; A232-Y234 PolarHBondContact O-N 3.07Å; A232-W235 WeakPolarHBondContact O-CB 3.47Å; A232-W235 PolarHBondContact O-N 3.13Å |
| 233 | K | 88.9 | Confident | 92.2 | Very high | 44 Ų | 44 | 53 Ų | 53 | 19% | 0.191 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.9 | -178.8 | -67.8 | -69 | -177.3 | -172.9 | 0 | 114.3 | P224 R225 S226 D228 A229 E230 N236 | P224-K233 HydrophobicContact CB-CD 3.98Å; P224-K233 HydrophobicContact CG-CD 4.11Å; P224-K233 WeakPolarHBondContact CG-O 3.01Å; R225-K233 PolarHBondContact O-NZ 3.35Å; S226-K233 PolarHBondContact O-NZ 2.84Å; D228-K233 WeakPolarHBondContact O-CE 3.47Å; D228-K233 PolarHBondContact O-NZ 3.3Å; A229-K233 PolarHBondContact O-N 3.48Å; E230-K233 WeakPolarHBondContact O-CB 3.41Å; E230-K233 WeakPolarHBondContact O-CG 3.3Å; E230-K233 PolarHBondContact O-N 3.13Å; E230-K233 WeakPolarHBondContact OE1-CE 3.43Å; K233-N236 PolarHBondContact O-ND2 2.92Å |
| 234 | Y | 88.5 | Confident | 92.5 | Very high | 134 Ų | 134 | 49.6 Ų | 49.6 | 53% | 0.525 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -1.8 | 176.2 | -62 | -84.3 | 0 | 0 | 0 | 113.9 | N182 A232 N236 S240 | N182-Y234 WeakPolarHBondContact ND2-CB 3.48Å; A232-Y234 PolarHBondContact O-N 3.07Å; Y234-N236 PolarHBondContact O-N 3.16Å; Y234-S240 PolarHBondContact O-N 3.01Å |
| 235 | W | 91.8 | Very high | 92.7 | Very high | 73 Ų | 73 | 50.6 Ų | 50.6 | 28% | 0.277 | 25% | 0.252 | S | S | . | . | trans | -81.5 | 65.4 | 176 | -75.7 | 5.6 | 0 | 0 | 0 | 110.8 | D181 V208 W231 A232 | D181-W235 PolarHBondContact OD1-NE1 3Å; D181-W235 VanDerWaalsContact OD1-NE1 3.11Å; V208-W235 HydrophobicContact CG1-CB 4.33Å; V208-W235 WeakPolarHBondContact CG1-O 3.49Å; W231-W235 HydrophobicContact CE3-CH2 4.45Å; W231-W235 HydrophobicContact CE3-CZ2 4.36Å; W231-W235 HydrophobicContact CH2-CE3 4.29Å; W231-W235 HydrophobicContact CH2-CH2 4.08Å; W231-W235 AromaticContact CH2-CZ3 3.81Å; W231-W235 HydrophobicContact CH2-CZ3 3.81Å; W231-W235 AromaticContact CZ3-CD2 4Å; W231-W235 HydrophobicContact CZ3-CD2 4Å; W231-W235 AromaticContact CZ3-CE3 3.67Å; W231-W235 HydrophobicContact CZ3-CE3 3.67Å; W231-W235 AromaticContact CZ3-CH2 3.44Å; W231-W235 HydrophobicContact CZ3-CH2 3.44Å; W231-W235 VanDerWaalsContact CZ3-CH2 3.44Å; W231-W235 AromaticContact CZ3-CZ2 3.74Å; W231-W235 HydrophobicContact CZ3-CZ2 3.74Å; W231-W235 AromaticContact CZ3-CZ3 3.4Å; W231-W235 HydrophobicContact CZ3-CZ3 3.4Å; W231-W235 VanDerWaalsContact CZ3-CZ3 3.4Å; A232-W235 WeakPolarHBondContact O-CB 3.47Å; A232-W235 PolarHBondContact O-N 3.13Å | ||
| 236 | N | 94.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -158.8 | 167 | 178.9 | 52.1 | 84.2 | 0 | 0 | 0 | 109.1 | P221 L222 P224 K233 Y234 A238 G239 S240 | P221-N236 HydrophobicContact CB-CB 4.27Å; P221-N236 HydrophobicContact CG-CB 4.06Å; P221-N236 WeakPolarHBondContact O-CA 3.31Å; P221-N236 VanDerWaalsContact O-CB 3.26Å; P221-N236 WeakPolarHBondContact O-CB 3.31Å; L222-N236 PolarHBondContact O-OD1 3.37Å; P224-N236 WeakPolarHBondContact CD-ND2 3.19Å; K233-N236 PolarHBondContact O-ND2 2.92Å; Y234-N236 PolarHBondContact O-N 3.16Å; N236-A238 VanDerWaalsContact C-N 3.33Å; N236-A238 PolarHBondContact O-N 3.1Å; N236-A238 PolarHBondContact OD1-N 3.09Å; N236-G239 PolarHBondContact O-N 3.14Å; N236-G239 PolarHBondContact OD1-N 3.44Å; N236-S240 VanDerWaalsContact O-CB 3.27Å; N236-S240 WeakPolarHBondContact O-CB 3.3Å; N236-S240 PolarHBondContact O-N 3.16Å |
| 237 | I | 94.7 | Very high | 93.1 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.3 | -50.1 | -176.9 | -58.5 | 163.3 | 0 | 0 | 0 | 110.8 | P221 L222 A241 I256 L346 W349 | P221-I237 WeakPolarHBondContact O-CG1 3.48Å; P221-I237 PolarHBondContact O-N 3.05Å; L222-I237 HydrophobicContact CB-CD1 4.39Å; L222-I237 HydrophobicContact CD1-CB 4.07Å; L222-I237 HydrophobicContact CD1-CG2 4.26Å; I237-A241 WeakPolarHBondContact O-CB 3.32Å; I237-A241 PolarHBondContact O-N 3.21Å; I237-I256 HydrophobicContact CG2-CD1 4.36Å; I237-I256 HydrophobicContact CG2-CG2 3.53Å; I237-L346 HydrophobicContact CD1-CD1 3.88Å; I237-L346 HydrophobicContact CD1-CD2 4.1Å; I237-L346 HydrophobicContact CG2-CD1 4.19Å; I237-W349 HydrophobicContact CG2-CH2 4.17Å; I237-W349 HydrophobicContact CG2-CZ3 3.78Å |
| 238 | A | 93.2 | Very high | 93.4 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.8 | -48.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L222 Y223 N236 S240 I242 W349 | L222-A238 HydrophobicContact CD1-CB 4.08Å; L222-A238 VanDerWaalsContact O-CB 3.25Å; L222-A238 WeakPolarHBondContact O-CB 3.39Å; L222-A238 PolarHBondContact O-N 3.06Å; Y223-A238 HydrophobicContact CD1-CB 3.79Å; Y223-A238 HydrophobicContact CE1-CB 3.63Å; N236-A238 VanDerWaalsContact C-N 3.33Å; N236-A238 PolarHBondContact O-N 3.1Å; N236-A238 PolarHBondContact OD1-N 3.09Å; A238-S240 PolarHBondContact O-N 2.04Å; A238-I242 WeakPolarHBondContact O-CB 3.45Å; A238-I242 WeakPolarHBondContact O-CD1 3.36Å; A238-I242 WeakPolarHBondContact O-CG1 3.34Å; A238-I242 PolarHBondContact O-N 3.42Å; A238-W349 VanDerWaalsContact CA-CZ2 3.43Å; A238-W349 HydrophobicContact CB-CH2 4.16Å; A238-W349 HydrophobicContact CB-CZ2 3.55Å |
| 239 | G | 93.7 | Very high | 93.7 | Very high | 7 Ų | 7 | 53.1 Ų | 53.1 | 7% | 0.072 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.4 | -45.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N236 Y243 | N236-G239 PolarHBondContact O-N 3.14Å; N236-G239 PolarHBondContact OD1-N 3.44Å; G239-Y243 WeakPolarHBondContact O-CB 3.22Å; G239-Y243 PolarHBondContact O-N 2.81Å |
| 240 | S | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.7 | -45 | -179.1 | -172.2 | 0 | 0 | 0 | 0 | 112.6 | L180 Y234 N236 A238 I242 Y243 W244 | L180-S240 WeakPolarHBondContact CA-OG 3.35Å; L180-S240 VanDerWaalsContact O-CB 3.3Å; L180-S240 WeakPolarHBondContact O-CB 3.2Å; L180-S240 PolarHBondContact O-OG 3Å; Y234-S240 PolarHBondContact O-N 3.01Å; N236-S240 VanDerWaalsContact O-CB 3.27Å; N236-S240 WeakPolarHBondContact O-CB 3.3Å; N236-S240 PolarHBondContact O-N 3.16Å; A238-S240 PolarHBondContact O-N 2.04Å; S240-I242 VanDerWaalsContact C-N 3.35Å; S240-I242 PolarHBondContact O-N 3.14Å; S240-Y243 WeakPolarHBondContact O-CB 2.9Å; S240-Y243 PolarHBondContact O-N 3.01Å; S240-Y243 VanDerWaalsContact O-N 3.1Å; S240-W244 PolarHBondContact O-N 3.35Å |
| 241 | A | 96.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.2 | -39.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L203 I237 Y243 W244 N245 I254 I256 W349 Y355 | L203-A241 HydrophobicContact CD2-CB 3.95Å; I237-A241 WeakPolarHBondContact O-CB 3.32Å; I237-A241 PolarHBondContact O-N 3.21Å; A241-Y243 VanDerWaalsContact C-N 3.3Å; A241-Y243 PolarHBondContact O-N 3.04Å; A241-W244 PolarHBondContact O-N 2.96Å; A241-N245 PolarHBondContact O-N 3.16Å; A241-N245 VanDerWaalsContact O-N 3.07Å; A241-I254 HydrophobicContact CB-CG2 4.44Å; A241-I256 HydrophobicContact CB-CD1 3.83Å; A241-W349 HydrophobicContact CB-CH2 3.87Å; A241-Y355 HydrophobicContact CB-CE1 3.7Å; A241-Y355 HydrophobicContact CB-CE2 4.23Å; A241-Y355 WeakPolarHBondContact CB-OH 3.35Å |
| 242 | I | 95.4 | Very high | 95.1 | Very high | 89 Ų | 89 | 44.1 Ų | 44.1 | 46% | 0.456 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61 | -43 | 172.4 | -71.1 | 167.5 | 0 | 0 | 0 | 110.2 | A238 S240 N245 W246 Y355 | A238-I242 WeakPolarHBondContact O-CB 3.45Å; A238-I242 WeakPolarHBondContact O-CD1 3.36Å; A238-I242 WeakPolarHBondContact O-CG1 3.34Å; A238-I242 PolarHBondContact O-N 3.42Å; S240-I242 VanDerWaalsContact C-N 3.35Å; S240-I242 PolarHBondContact O-N 3.14Å; I242-N245 PolarHBondContact O-N 2.84Å; I242-W246 WeakPolarHBondContact O-CB 3.47Å; I242-W246 PolarHBondContact O-N 3.22Å; I242-Y355 PolarHBondContact N-OH 2.72Å |
| 243 | Y | 96.6 | Very high | 95.6 | Very high | 38 Ų | 38 | 45.9 Ų | 45.9 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -50.4 | 179.5 | -163.3 | -104.6 | 0 | 0 | 0 | 111.6 | N182 V185 D186 G239 S240 A241 N245 W246 K247 | N182-Y243 HydrophobicContact CB-CD1 3.82Å; N182-Y243 HydrophobicContact CB-CE1 3.67Å; N182-Y243 HydrophobicContact CB-CE2 4.44Å; N182-Y243 HydrophobicContact CB-CG 4.27Å; N182-Y243 VanDerWaalsContact CG-CG 3.44Å; N182-Y243 WeakPolarHBondContact OD1-CB 3.26Å; N182-Y243 VanDerWaalsContact OD1-CD1 3.22Å; N182-Y243 WeakPolarHBondContact OD1-CD1 3.41Å; N182-Y243 VanDerWaalsContact OD1-CG 3.32Å; V185-Y243 HydrophobicContact CB-CD1 4.31Å; V185-Y243 HydrophobicContact CB-CE1 4.17Å; V185-Y243 HydrophobicContact CG1-CD1 4.21Å; V185-Y243 HydrophobicContact CG1-CE1 4.16Å; D186-Y243 PolarHBondContact OD1-OH 3.29Å; D186-Y243 PolarHBondContact OD2-OH 3.17Å; G239-Y243 WeakPolarHBondContact O-CB 3.22Å; G239-Y243 PolarHBondContact O-N 2.81Å; S240-Y243 WeakPolarHBondContact O-CB 2.9Å; S240-Y243 PolarHBondContact O-N 3.01Å; S240-Y243 VanDerWaalsContact O-N 3.1Å; A241-Y243 VanDerWaalsContact C-N 3.3Å; A241-Y243 PolarHBondContact O-N 3.04Å; Y243-N245 VanDerWaalsContact C-N 3.28Å; Y243-N245 PolarHBondContact O-N 3.27Å; Y243-W246 AromaticContact CD2-CE3 3.77Å; Y243-W246 HydrophobicContact CD2-CE3 3.77Å; Y243-W246 HydrophobicContact CD2-CZ3 4.1Å; Y243-W246 AromaticContact CE2-CE3 3.49Å; Y243-W246 HydrophobicContact CE2-CE3 3.49Å; Y243-W246 VanDerWaalsContact CE2-CE3 3.49Å; Y243-W246 AromaticContact CE2-CZ3 3.33Å; Y243-W246 HydrophobicContact CE2-CZ3 3.33Å; Y243-W246 AromaticContact CZ-CZ3 3.67Å; Y243-W246 CarbonylContact O-C 3.54Å; Y243-W246 WeakPolarHBondContact O-CA 3.26Å; Y243-W246 WeakPolarHBondContact O-CB 3.44Å; Y243-W246 PolarHBondContact O-N 2.99Å; Y243-K247 HydrophobicContact CD1-CG 3.96Å; Y243-K247 HydrophobicContact CE1-CD 3.95Å; Y243-K247 HydrophobicContact CE1-CG 3.82Å; Y243-K247 VanDerWaalsContact O-CG 3.28Å; Y243-K247 WeakPolarHBondContact O-CG 3.32Å; Y243-K247 PolarHBondContact O-N 3.45Å |
| 244 | W | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -55.6 | -42.3 | 175.5 | -88 | 103.6 | 0 | 0 | 0 | 113 | V178 S179 V185 Y189 A191 M201 S240 A241 K247 G248 M249 I254 | V178-W244 HydrophobicContact CB-CH2 3.88Å; V178-W244 HydrophobicContact CB-CZ2 3.54Å; V178-W244 HydrophobicContact CG1-CH2 4.05Å; V178-W244 HydrophobicContact CG1-CZ2 4.24Å; V178-W244 HydrophobicContact CG2-CH2 4.07Å; V178-W244 HydrophobicContact CG2-CZ2 3.55Å; S179-W244 PolarHBondContact O-NE1 3.32Å; V185-W244 HydrophobicContact CB-CZ2 4.32Å; V185-W244 HydrophobicContact CG1-CD2 4.19Å; V185-W244 HydrophobicContact CG1-CE3 4.32Å; V185-W244 HydrophobicContact CG1-CH2 4.17Å; V185-W244 HydrophobicContact CG1-CZ2 4Å; V185-W244 HydrophobicContact CG1-CZ3 4.32Å; V185-W244 HydrophobicContact CG2-CD2 4.37Å; V185-W244 HydrophobicContact CG2-CH2 4.48Å; V185-W244 HydrophobicContact CG2-CZ2 3.57Å; Y189-W244 AromaticContact CD1-CH2 3.67Å; Y189-W244 HydrophobicContact CD1-CH2 3.67Å; Y189-W244 HydrophobicContact CD2-CH2 4.14Å; Y189-W244 HydrophobicContact CD2-CZ2 4.47Å; Y189-W244 HydrophobicContact CE1-CH2 4.18Å; Y189-W244 AromaticContact CG-CH2 3.62Å; Y189-W244 HydrophobicContact CG-CH2 3.62Å; Y189-W244 HydrophobicContact CG-CZ2 4.37Å; Y189-W244 HydrophobicContact CG-CZ3 4.46Å; A191-W244 HydrophobicContact CB-CE3 3.75Å; A191-W244 HydrophobicContact CB-CZ3 3.77Å; M201-W244 HydrophobicContact CE-CB 3.58Å; M201-W244 HydrophobicContact CE-CD2 3.46Å; M201-W244 VanDerWaalsContact CE-CD2 3.46Å; M201-W244 HydrophobicContact CE-CE3 3.6Å; M201-W244 HydrophobicContact CE-CG 3.46Å; M201-W244 VanDerWaalsContact CE-CG 3.46Å; M201-W244 HydrophobicContact CE-CZ3 4.41Å; M201-W244 HydrophobicContact SD-CD2 3.93Å; M201-W244 HydrophobicContact SD-CE3 3.61Å; M201-W244 HydrophobicContact SD-CH2 4.36Å; M201-W244 HydrophobicContact SD-CZ3 3.84Å; S240-W244 PolarHBondContact O-N 3.35Å; A241-W244 PolarHBondContact O-N 2.96Å; W244-K247 PolarHBondContact O-N 3.06Å; W244-G248 PolarHBondContact O-N 3.3Å; W244-M249 HydrophobicContact CE3-CB 4.44Å; W244-M249 WeakPolarHBondContact O-CB 3.26Å; W244-M249 PolarHBondContact O-N 3.06Å; W244-M249 VanDerWaalsContact O-N 3.09Å; W244-I254 HydrophobicContact CB-CD1 3.89Å |
| 245 | N | 98.2 | Very high | 96.5 | Very high | 59 Ų | 59 | 37.4 Ų | 37.4 | 32% | 0.316 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.9 | -43.6 | 174.5 | 177.1 | 64.4 | 0 | 0 | 0 | 112.4 | A241 I242 Y243 K247 G248 M249 K251 I254 | A241-N245 PolarHBondContact O-N 3.16Å; A241-N245 VanDerWaalsContact O-N 3.07Å; I242-N245 PolarHBondContact O-N 2.84Å; Y243-N245 VanDerWaalsContact C-N 3.28Å; Y243-N245 PolarHBondContact O-N 3.27Å; N245-K247 VanDerWaalsContact C-N 3.26Å; N245-K247 PolarHBondContact O-N 2.99Å; N245-G248 PolarHBondContact O-N 2.87Å; N245-M249 VanDerWaalsContact CA-O 3.28Å; N245-M249 WeakPolarHBondContact CA-O 3.39Å; N245-M249 PolarHBondContact OD1-O 3.03Å; N245-K251 HydrophobicContact CB-CG 4.14Å; N245-K251 WeakPolarHBondContact OD1-CG 3.28Å; N245-I254 HydrophobicContact CB-CD1 4.04Å |
| 246 | W | 97.4 | Very high | 96.8 | Very high | 179 Ų | 179 | 34 Ų | 34 | 68% | 0.678 | 17% | 0.165 | S | C | * | . | H | α-helix | trans | -60.5 | -35 | 174.8 | 174.5 | 64.7 | 0 | 0 | 0 | 112.7 | I242 Y243 G248 | I242-W246 WeakPolarHBondContact O-CB 3.47Å; I242-W246 PolarHBondContact O-N 3.22Å; Y243-W246 AromaticContact CD2-CE3 3.77Å; Y243-W246 HydrophobicContact CD2-CE3 3.77Å; Y243-W246 HydrophobicContact CD2-CZ3 4.1Å; Y243-W246 AromaticContact CE2-CE3 3.49Å; Y243-W246 HydrophobicContact CE2-CE3 3.49Å; Y243-W246 VanDerWaalsContact CE2-CE3 3.49Å; Y243-W246 AromaticContact CE2-CZ3 3.33Å; Y243-W246 HydrophobicContact CE2-CZ3 3.33Å; Y243-W246 AromaticContact CZ-CZ3 3.67Å; Y243-W246 CarbonylContact O-C 3.54Å; Y243-W246 WeakPolarHBondContact O-CA 3.26Å; Y243-W246 WeakPolarHBondContact O-CB 3.44Å; Y243-W246 PolarHBondContact O-N 2.99Å; W246-G248 PolarHBondContact O-N 3.06Å |
| 247 | K | 98 | Very high | 97 | Very high | 65 Ų | 65 | 33.8 Ų | 33.8 | 28% | 0.283 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -8.2 | 174.3 | -63.2 | -64.5 | -64 | -159.6 | 0 | 113.6 | V185 D186 A191 Y243 W244 N245 | V185-K247 HydrophobicContact CG1-CG 4.23Å; D186-K247 WeakPolarHBondContact OD1-CE 3.06Å; D186-K247 IonicContact OD1-NZ 2.68Å; D186-K247 PolarHBondContact OD1-NZ 2.97Å; A191-K247 HydrophobicContact CB-CB 3.73Å; Y243-K247 HydrophobicContact CD1-CG 3.96Å; Y243-K247 HydrophobicContact CE1-CD 3.95Å; Y243-K247 HydrophobicContact CE1-CG 3.82Å; Y243-K247 VanDerWaalsContact O-CG 3.28Å; Y243-K247 WeakPolarHBondContact O-CG 3.32Å; Y243-K247 PolarHBondContact O-N 3.45Å; W244-K247 PolarHBondContact O-N 3.06Å; N245-K247 VanDerWaalsContact C-N 3.26Å; N245-K247 PolarHBondContact O-N 2.99Å |
| 248 | G | 98.3 | Very high | 97.1 | Very high | 30 Ų | 30 | 33.9 Ų | 33.9 | 31% | 0.309 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 111.9 | 8.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | W244 N245 W246 P250 | W244-G248 PolarHBondContact O-N 3.3Å; N245-G248 PolarHBondContact O-N 2.87Å; W246-G248 PolarHBondContact O-N 3.06Å; G248-P250 WeakPolarHBondContact O-CD 3.36Å |
| 249 | M | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -79.2 | 121.3 | 170.8 | -173.6 | 60.6 | 63.7 | 0 | 0 | 110.3 | A191 S195 W198 M201 W244 N245 K251 K253 I254 | A191-M249 HydrophobicContact CB-CB 4.39Å; S195-M249 VanDerWaalsContact CB-SD 3.58Å; W198-M249 HydrophobicContact CE3-CE 3.59Å; W198-M249 HydrophobicContact CZ3-CE 3.87Å; M201-M249 HydrophobicContact CE-CB 4.13Å; M201-M249 HydrophobicContact CE-CG 3.69Å; M201-M249 HydrophobicContact CG-CG 4.41Å; M201-M249 HydrophobicContact SD-CB 4.47Å; M201-M249 HydrophobicContact SD-CE 3.8Å; M201-M249 HydrophobicContact SD-CG 3.8Å; M201-M249 HydrophobicContact SD-SD 4.36Å; W244-M249 HydrophobicContact CE3-CB 4.44Å; W244-M249 WeakPolarHBondContact O-CB 3.26Å; W244-M249 PolarHBondContact O-N 3.06Å; W244-M249 VanDerWaalsContact O-N 3.09Å; N245-M249 VanDerWaalsContact CA-O 3.28Å; N245-M249 WeakPolarHBondContact CA-O 3.39Å; N245-M249 PolarHBondContact OD1-O 3.03Å; M249-K251 PolarHBondContact O-N 3.1Å; M249-K253 HydrophobicContact CG-CB 4.38Å; M249-K253 HydrophobicContact SD-CB 3.86Å; M249-K253 HydrophobicContact SD-CD 4.33Å; M249-I254 HydrophobicContact CB-CD1 4.23Å; M249-I254 HydrophobicContact CB-CG1 4.29Å; M249-I254 HydrophobicContact CG-CD1 4.17Å; M249-I254 HydrophobicContact CG-CG1 3.68Å | ||
| 250 | P | 98.3 | Very high | 97.4 | Very high | 38 Ų | 38 | 33.3 Ų | 33.3 | 25% | 0.247 | 16% | 0.159 | C | C | . | . | trans | -58.8 | 135.8 | 176.4 | -22.8 | 33.3 | 0 | 0 | 0 | 111.5 | G248 E252 K253 | G248-P250 WeakPolarHBondContact O-CD 3.36Å; P250-E252 VanDerWaalsContact CB-CD 3.41Å; P250-E252 HydrophobicContact CB-CG 4.3Å; P250-E252 WeakPolarHBondContact CB-OE1 3.44Å; P250-E252 WeakPolarHBondContact CB-OE2 3.4Å; P250-E252 PolarHBondContact O-N 3.43Å; P250-E252 VanDerWaalsContact O-N 3.16Å; P250-K253 HydrophobicContact CB-CG 4.5Å; P250-K253 WeakPolarHBondContact O-CB 3.09Å; P250-K253 PolarHBondContact O-N 2.8Å | ||
| 251 | K | 96.7 | Very high | 97.5 | Very high | 50 Ų | 50 | 33.5 Ų | 33.5 | 22% | 0.217 | 16% | 0.16 | C | C | . | . | G | 310 helix | trans | -53.5 | -39.5 | -177.2 | -69.7 | -167.1 | 168.9 | -175.6 | 0 | 112.4 | N245 M249 K253 I254 E353 G354 Y355 G356 | N245-K251 HydrophobicContact CB-CG 4.14Å; N245-K251 WeakPolarHBondContact OD1-CG 3.28Å; M249-K251 PolarHBondContact O-N 3.1Å; K251-K253 PolarHBondContact O-N 2.93Å; K251-K253 VanDerWaalsContact O-N 3.08Å; K251-I254 PolarHBondContact O-N 2.79Å; K251-E353 WeakPolarHBondContact CD-O 3.18Å; K251-E353 WeakPolarHBondContact CE-O 3.21Å; K251-E353 PolarHBondContact NZ-O 2.89Å; K251-E353 IonicContact NZ-OE2 2.7Å; K251-E353 PolarHBondContact NZ-OE2 3.09Å; K251-G354 WeakPolarHBondContact CB-O 3.39Å; K251-Y355 HydrophobicContact CB-CD1 3.93Å; K251-Y355 HydrophobicContact CB-CE1 4.33Å; K251-Y355 HydrophobicContact CD-CD1 4.42Å; K251-Y355 HydrophobicContact CD-CE1 4.22Å; K251-Y355 HydrophobicContact CG-CD1 4.11Å; K251-Y355 HydrophobicContact CG-CE1 3.99Å; K251-Y355 CarbonylContact O-C 3.59Å; K251-Y355 VanDerWaalsContact O-CA 3.29Å; K251-Y355 WeakPolarHBondContact O-CA 2.93Å; K251-G356 PolarHBondContact O-N 2.78Å |
| 252 | E | 96.1 | Very high | 97.6 | Very high | 98 Ų | 98 | 33.5 Ų | 33.5 | 46% | 0.458 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -63.6 | -13.5 | 179.1 | 66.9 | -87.1 | -160.7 | 0 | 0 | 114.6 | P250 G356 | P250-E252 VanDerWaalsContact CB-CD 3.41Å; P250-E252 HydrophobicContact CB-CG 4.3Å; P250-E252 WeakPolarHBondContact CB-OE1 3.44Å; P250-E252 WeakPolarHBondContact CB-OE2 3.4Å; P250-E252 PolarHBondContact O-N 3.43Å; P250-E252 VanDerWaalsContact O-N 3.16Å; E252-G356 WeakPolarHBondContact O-CA 3.39Å |
| 253 | K | 98 | Very high | 97.7 | Very high | 51 Ų | 51 | 30.7 Ų | 30.7 | 22% | 0.222 | 14% | 0.144 | C | C | . | . | G | 310 helix | trans | -101.5 | -3 | 174.6 | -67.4 | -163.5 | 172.9 | -167.9 | 0 | 113.5 | S195 W198 D199 F200 M201 M249 P250 K251 | S195-K253 PolarHBondContact O-NZ 3.31Å; W198-K253 PolarHBondContact O-NZ 3.35Å; D199-K253 WeakPolarHBondContact O-CD 3.41Å; D199-K253 WeakPolarHBondContact O-CE 3.17Å; D199-K253 WeakPolarHBondContact O-CG 3.42Å; F200-K253 CarbonylContact C-O 3.52Å; F200-K253 WeakPolarHBondContact CA-O 3.11Å; F200-K253 HydrophobicContact CB-CB 4.39Å; F200-K253 WeakPolarHBondContact CB-O 3.39Å; M201-K253 PolarHBondContact N-O 2.95Å; M249-K253 HydrophobicContact CG-CB 4.38Å; M249-K253 HydrophobicContact SD-CB 3.86Å; M249-K253 HydrophobicContact SD-CD 4.33Å; P250-K253 HydrophobicContact CB-CG 4.5Å; P250-K253 WeakPolarHBondContact O-CB 3.09Å; P250-K253 PolarHBondContact O-N 2.8Å; K251-K253 PolarHBondContact O-N 2.93Å; K251-K253 VanDerWaalsContact O-N 3.08Å |
| 254 | I | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 112.4 | 177 | -50.6 | -172.6 | 0 | 0 | 0 | 108.1 | M201 L203 A241 W244 N245 M249 K251 I256 Y355 G356 | M201-I254 HydrophobicContact CE-CB 4.04Å; M201-I254 HydrophobicContact CE-CD1 3.86Å; M201-I254 HydrophobicContact CE-CG1 3.52Å; M201-I254 HydrophobicContact CE-CG2 3.83Å; L203-I254 HydrophobicContact CB-CG2 4.4Å; L203-I254 HydrophobicContact CD2-CG2 4.41Å; A241-I254 HydrophobicContact CB-CG2 4.44Å; W244-I254 HydrophobicContact CB-CD1 3.89Å; N245-I254 HydrophobicContact CB-CD1 4.04Å; M249-I254 HydrophobicContact CB-CD1 4.23Å; M249-I254 HydrophobicContact CB-CG1 4.29Å; M249-I254 HydrophobicContact CG-CD1 4.17Å; M249-I254 HydrophobicContact CG-CG1 3.68Å; K251-I254 PolarHBondContact O-N 2.79Å; I254-I256 HydrophobicContact CG2-CD1 3.99Å; I254-Y355 HydrophobicContact CB-CD1 3.88Å; I254-Y355 HydrophobicContact CB-CE1 4.47Å; I254-Y355 HydrophobicContact CD1-CD1 4.25Å; I254-Y355 HydrophobicContact CD1-CE1 4.07Å; I254-Y355 HydrophobicContact CG1-CD1 4.45Å; I254-Y355 HydrophobicContact CG2-CD1 4.12Å; I254-Y355 HydrophobicContact CG2-CE1 4.46Å; I254-G356 PolarHBondContact O-N 2.94Å |
| 255 | I | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119.8 | 178.4 | -46.9 | -45.9 | 0 | 0 | 0 | 107.9 | V20 F200 M201 L203 F359 | V20-I255 HydrophobicContact CB-CD1 3.67Å; V20-I255 HydrophobicContact CB-CG1 4.2Å; V20-I255 HydrophobicContact CB-CG2 4.42Å; V20-I255 HydrophobicContact CG1-CD1 4.07Å; V20-I255 HydrophobicContact CG1-CG1 4.02Å; V20-I255 HydrophobicContact CG1-CG2 4.03Å; V20-I255 HydrophobicContact CG2-CD1 3.88Å; F200-I255 HydrophobicContact CB-CD1 4.08Å; F200-I255 HydrophobicContact CB-CG1 3.86Å; F200-I255 HydrophobicContact CD2-CB 4.4Å; F200-I255 HydrophobicContact CD2-CD1 4.3Å; F200-I255 HydrophobicContact CD2-CG1 3.34Å; F200-I255 HydrophobicContact CE2-CG1 4.03Å; F200-I255 HydrophobicContact CG-CD1 4.25Å; F200-I255 HydrophobicContact CG-CG1 3.77Å; M201-I255 WeakPolarHBondContact O-CB 3.38Å; M201-I255 WeakPolarHBondContact O-CG1 3.35Å; M201-I255 PolarHBondContact O-N 3.32Å; L203-I255 PolarHBondContact N-O 3.09Å; I255-F359 HydrophobicContact CB-CD1 4.35Å; I255-F359 HydrophobicContact CG2-CB 4.15Å; I255-F359 HydrophobicContact CG2-CD1 3.97Å; I255-F359 WeakPolarHBondContact O-CE1 3.5Å |
| 256 | I | 97.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 129.1 | -171.5 | -57.4 | -60.8 | 0 | 0 | 0 | 110.6 | L203 I237 A241 I254 W349 L350 G357 A358 F359 | L203-I256 HydrophobicContact CD2-CD1 4.11Å; I237-I256 HydrophobicContact CG2-CD1 4.36Å; I237-I256 HydrophobicContact CG2-CG2 3.53Å; A241-I256 HydrophobicContact CB-CD1 3.83Å; I254-I256 HydrophobicContact CG2-CD1 3.99Å; I256-W349 HydrophobicContact CD1-CH2 4.49Å; I256-W349 HydrophobicContact CD1-CZ3 4.09Å; I256-W349 HydrophobicContact CG1-CZ3 4.19Å; I256-L350 HydrophobicContact CB-CD2 4.16Å; I256-L350 HydrophobicContact CG1-CB 4.07Å; I256-L350 HydrophobicContact CG1-CD2 4.23Å; I256-G357 PolarHBondContact N-O 3.14Å; I256-A358 CarbonylContact O-C 3.55Å; I256-A358 WeakPolarHBondContact O-CA 3.25Å; I256-A358 WeakPolarHBondContact O-CB 3.43Å; I256-F359 PolarHBondContact O-N 3.1Å |
| 257 | G | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 131.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L203 S205 F359 | L203-G257 WeakPolarHBondContact O-CA 3.15Å; L203-G257 PolarHBondContact O-N 3.3Å; S205-G257 PolarHBondContact OG-N 3.32Å; S205-G257 PolarHBondContact OG-O 3.04Å; G257-F359 VanDerWaalsContact CA-CZ 3.41Å; G257-F359 VanDerWaalsContact N-CE1 3.31Å |
| 258 | L | 96.7 | Very high | 97.9 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.01 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.5 | 175 | -52.5 | 179.8 | 0 | 0 | 0 | 109 | I336 L346 L347 A358 F359 V360 W361 M387 | L258-I336 HydrophobicContact CD1-CG2 4.42Å; L258-L346 HydrophobicContact CD2-CD2 3.3Å; L258-L346 HydrophobicContact CD2-CG 4.07Å; L258-L347 HydrophobicContact CD1-CD2 4.19Å; L258-A358 HydrophobicContact CD1-CB 3.92Å; L258-A358 HydrophobicContact CG-CB 4.17Å; L258-F359 PolarHBondContact N-O 3.48Å; L258-V360 HydrophobicContact CB-CG1 4.17Å; L258-V360 HydrophobicContact CD1-CG1 4.45Å; L258-V360 WeakPolarHBondContact O-CA 3.38Å; L258-W361 PolarHBondContact O-N 3.05Å; L258-M387 HydrophobicContact CD1-CB 4.36Å; L258-M387 HydrophobicContact CD1-CG 4.28Å; L258-M387 HydrophobicContact CD1-SD 4.12Å |
| 259 | A | 97 | Very high | 97.8 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 117.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y206 Y261 | Y206-A259 HydrophobicContact CD1-CB 4.32Å; Y206-A259 HydrophobicContact CG-CB 4.37Å; A259-Y261 HydrophobicContact CB-CD1 3.72Å; A259-Y261 HydrophobicContact CB-CE1 3.44Å; A259-Y261 VanDerWaalsContact CB-CE1 3.44Å; A259-Y261 PolarHBondContact O-N 2.49Å |
| 260 | T | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -88.1 | 23.5 | 169.3 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | Y297 V360 W361 T362 Y365 D366 L383 | T260-Y297 WeakPolarHBondContact O-CB 3.44Å; T260-Y297 PolarHBondContact O-N 3.38Å; T260-V360 HydrophobicContact CG2-CB 4.11Å; T260-V360 HydrophobicContact CG2-CG1 4.21Å; T260-W361 PolarHBondContact N-O 2.82Å; T260-W361 PolarHBondContact OG1-O 3.36Å; T260-T362 PolarHBondContact OG1-N 2.79Å; T260-T362 PolarHBondContact OG1-O 3.2Å; T260-Y365 CarbonylContact O-C 3.58Å; T260-Y365 WeakPolarHBondContact O-CB 3.26Å; T260-Y365 WeakPolarHBondContact OG1-CB 3.39Å; T260-D366 HydrophobicContact CG2-CB 4.18Å; T260-L383 HydrophobicContact CG2-CB 4.16Å; T260-L383 HydrophobicContact CG2-CD1 4.04Å |
| 261 | Y | 97.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 2% | 0.02 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 168.3 | 179.1 | 70.6 | -73.5 | 0 | 0 | 0 | 110.2 | Y206 D207 A259 R263 V294 I295 W361 Y365 | Y206-Y261 WeakPolarHBondContact CB-OH 3.37Å; Y206-Y261 WeakPolarHBondContact CD2-OH 3.05Å; Y206-Y261 HydrophobicContact CG-CE1 4.4Å; D207-Y261 PolarHBondContact OD1-OH 2.63Å; A259-Y261 HydrophobicContact CB-CD1 3.72Å; A259-Y261 HydrophobicContact CB-CE1 3.44Å; A259-Y261 VanDerWaalsContact CB-CE1 3.44Å; A259-Y261 PolarHBondContact O-N 2.49Å; Y261-R263 HydrophobicContact CE2-CG 4.22Å; Y261-V294 HydrophobicContact CD2-CG1 4.03Å; Y261-I295 CarbonylContact C-O 3.59Å; Y261-I295 VanDerWaalsContact CA-O 3.27Å; Y261-I295 WeakPolarHBondContact CA-O 3.15Å; Y261-I295 VanDerWaalsContact CB-O 3.28Å; Y261-I295 WeakPolarHBondContact CB-O 3.33Å; Y261-W361 WeakPolarHBondContact CD1-O 3.11Å; Y261-W361 AromaticContact CE1-CD1 3.61Å; Y261-Y365 VanDerWaalsContact CB-CD2 3.48Å; Y261-Y365 AromaticContact CD1-CD2 3.9Å; Y261-Y365 HydrophobicContact CD1-CD2 3.9Å; Y261-Y365 HydrophobicContact CD1-CE2 4.15Å; Y261-Y365 AromaticContact CG-CD2 3.88Å; Y261-Y365 HydrophobicContact CG-CD2 3.88Å; Y261-Y365 AromaticContact CG-CE2 3.99Å; Y261-Y365 HydrophobicContact CG-CE2 3.99Å |
| 262 | G | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 163.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I295 T329 | G262-I295 PolarHBondContact N-O 3.28Å; G262-I295 PolarHBondContact O-N 3.45Å; G262-T329 CarbonylContact C-O 3.55Å; G262-T329 WeakPolarHBondContact CA-O 3.41Å |
| 263 | R | 98.5 | Very high | 97.6 | Very high | 30 Ų | 30 | 32.3 Ų | 32.3 | 11% | 0.113 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 144.6 | 167.4 | -70.7 | -168.8 | 170.5 | -78.9 | 3 | 110.1 | D207 H209 N219 Y261 W265 G293 F328 T329 | D207-R263 VanDerWaalsContact CG-NE 3.33Å; D207-R263 IonicContact OD1-CZ 3.16Å; D207-R263 IonicContact OD1-NE 3.3Å; D207-R263 PolarHBondContact OD1-NE 2.79Å; D207-R263 IonicContact OD1-NH2 2.76Å; D207-R263 PolarHBondContact OD1-NH2 2.9Å; D207-R263 IonicContact OD2-CZ 3.83Å; D207-R263 IonicContact OD2-NH2 2.75Å; D207-R263 PolarHBondContact OD2-NH2 2.81Å; H209-R263 WeakPolarHBondContact O-CD 3.19Å; N219-R263 HydrophobicContact CB-CB 4.28Å; N219-R263 HydrophobicContact CB-CG 4.32Å; N219-R263 WeakPolarHBondContact OD1-CD 3.46Å; Y261-R263 HydrophobicContact CE2-CG 4.22Å; R263-W265 HydrophobicContact CB-CH2 4.28Å; R263-W265 HydrophobicContact CB-CZ3 4.16Å; R263-W265 WeakPolarHBondContact O-CZ3 3.47Å; R263-G293 CarbonylContact C-O 3.56Å; R263-G293 VanDerWaalsContact CA-O 3.31Å; R263-G293 WeakPolarHBondContact CA-O 3.45Å; R263-F328 CarbonylContact O-C 3.47Å; R263-F328 WeakPolarHBondContact O-CA 3.41Å; R263-T329 HydrophobicContact CB-CG2 4.35Å; R263-T329 PolarHBondContact N-O 2.85Å; R263-T329 WeakPolarHBondContact O-CG2 3.32Å; R263-T329 PolarHBondContact O-N 3.13Å |
| 264 | G | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 156.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | S283 G293 W327 | G264-S283 VanDerWaalsContact C-CB 3.46Å; G264-S283 WeakPolarHBondContact CA-OG 3.47Å; G264-S283 PolarHBondContact O-N 3.49Å; G264-S283 PolarHBondContact O-OG 2.91Å; G264-G293 PolarHBondContact N-O 3.28Å; G264-G293 WeakPolarHBondContact O-CA 2.94Å; G264-W327 CarbonylContact C-O 2.91Å; G264-W327 WeakPolarHBondContact CA-O 3.29Å |
| 265 | W | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 158.1 | -178.5 | -68.2 | -100.1 | 0 | 0 | 0 | 111.4 | H209 G210 E213 K215 T216 G217 R263 A279 G281 W327 T329 | H209-W265 HydrophobicContact CB-CH2 4.04Å; H209-W265 HydrophobicContact CB-CZ2 4.21Å; G210-W265 VanDerWaalsContact C-CE2 3.45Å; G210-W265 VanDerWaalsContact N-CZ2 3.3Å; G210-W265 WeakPolarHBondContact O-CZ2 3.41Å; G210-W265 PolarHBondContact O-NE1 3.35Å; G210-W265 VanDerWaalsContact O-NE1 3.16Å; E213-W265 VanDerWaalsContact O-CD1 3.28Å; E213-W265 PolarHBondContact O-NE1 2.95Å; K215-W265 VanDerWaalsContact O-CE2 3.31Å; K215-W265 PolarHBondContact O-NE1 3.46Å; T216-W265 HydrophobicContact CG2-CB 4.1Å; T216-W265 HydrophobicContact CG2-CD2 4.37Å; T216-W265 HydrophobicContact CG2-CE3 4.45Å; T216-W265 HydrophobicContact CG2-CG 4.27Å; G217-W265 VanDerWaalsContact O-CH2 3.3Å; G217-W265 WeakPolarHBondContact O-CH2 3.33Å; G217-W265 WeakPolarHBondContact O-CZ3 3.36Å; R263-W265 HydrophobicContact CB-CH2 4.28Å; R263-W265 HydrophobicContact CB-CZ3 4.16Å; R263-W265 WeakPolarHBondContact O-CZ3 3.47Å; W265-A279 HydrophobicContact CB-CB 3.73Å; W265-A279 VanDerWaalsContact CD1-CB 3.48Å; W265-A279 HydrophobicContact CG-CB 3.88Å; W265-G281 WeakPolarHBondContact CA-O 3.33Å; W265-W327 AromaticContact CE3-CE3 3.57Å; W265-W327 HydrophobicContact CE3-CE3 3.57Å; W265-W327 AromaticContact CE3-CZ3 3.74Å; W265-W327 HydrophobicContact CE3-CZ3 3.74Å; W265-W327 HydrophobicContact CH2-CZ3 4.48Å; W265-W327 AromaticContact CZ3-CE3 3.86Å; W265-W327 HydrophobicContact CZ3-CE3 3.86Å; W265-W327 AromaticContact CZ3-CZ3 3.52Å; W265-W327 HydrophobicContact CZ3-CZ3 3.52Å; W265-W327 PolarHBondContact N-O 2.84Å; W265-W327 PolarHBondContact O-N 3.06Å; W265-T329 HydrophobicContact CZ3-CG2 4.06Å |
| 266 | T | 98.6 | Very high | 97.5 | Very high | 22 Ų | 22 | 34.4 Ų | 34.4 | 14% | 0.135 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 116.2 | 163.1 | -62 | 0 | 0 | 0 | 0 | 108.9 | A279 L280 G281 P282 N325 Q326 | T266-A279 CarbonylContact O-C 3.5Å; T266-A279 WeakPolarHBondContact O-CA 3.43Å; T266-L280 HydrophobicContact CG2-CD1 4.46Å; T266-L280 PolarHBondContact O-N 3.48Å; T266-G281 PolarHBondContact N-O 3.47Å; T266-P282 PolarHBondContact OG1-O 2.85Å; T266-P282 VanDerWaalsContact OG1-O 3.13Å; T266-N325 WeakPolarHBondContact CG2-ND2 3.35Å; T266-Q326 PolarHBondContact OG1-NE2 3.44Å; T266-Q326 VanDerWaalsContact OG1-NE2 3.1Å |
| 267 | L | 98.6 | Very high | 97.5 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 139.5 | 179.8 | -66.6 | 167.8 | 0 | 0 | 0 | 111.3 | T216 S269 M270 T273 A277 N325 W327 | T216-L267 HydrophobicContact CG2-CD2 3.79Å; L267-S269 VanDerWaalsContact C-N 3.3Å; L267-M270 HydrophobicContact CD1-SD 4.12Å; L267-T273 HydrophobicContact CD1-CG2 3.74Å; L267-A277 HydrophobicContact CD2-CB 3.82Å; L267-N325 PolarHBondContact N-O 3.1Å; L267-W327 HydrophobicContact CD1-CB 4.14Å; L267-W327 HydrophobicContact CD2-CB 4.06Å; L267-W327 HydrophobicContact CD2-CG 4.32Å; L267-W327 HydrophobicContact CG-CB 3.92Å |
| 268 | A | 98 | Very high | 97.5 | Very high | 47 Ų | 47 | 40.1 Ų | 40.1 | 39% | 0.388 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -73.2 | -24.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I278 L280 | A268-I278 HydrophobicContact CB-CB 4.22Å; A268-I278 HydrophobicContact CB-CG2 3.81Å; A268-I278 WeakPolarHBondContact CB-O 3.34Å; A268-I278 PolarHBondContact N-O 3.45Å; A268-L280 HydrophobicContact CB-CD2 3.75Å; A268-L280 HydrophobicContact CB-CG 3.97Å |
| 269 | S | 97.3 | Very high | 97.6 | Very high | 48 Ų | 48 | 40.2 Ų | 40.2 | 34% | 0.336 | 21% | 0.209 | S | C | . | . | trans | -154.3 | 144 | -177.7 | 175.5 | 0 | 0 | 0 | 0 | 111 | L267 W271 | L267-S269 VanDerWaalsContact C-N 3.3Å; S269-W271 VanDerWaalsContact C-N 3.27Å; S269-W271 WeakPolarHBondContact OG-CB 3.41Å; S269-W271 PolarHBondContact OG-N 2.67Å; S269-W271 VanDerWaalsContact OG-N 3.12Å | ||
| 270 | M | 96.9 | Very high | 97.6 | Very high | 97 Ų | 97 | 46 Ų | 46 | 48% | 0.478 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | -4 | 172.9 | -67.9 | -56.4 | -63.3 | 0 | 0 | 113.5 | L267 T273 I322 G324 N325 | L267-M270 HydrophobicContact CD1-SD 4.12Å; M270-T273 HydrophobicContact CE-CG2 4.19Å; M270-T273 WeakPolarHBondContact O-CG2 3.34Å; M270-T273 HydrophobicContact SD-CG2 4.4Å; M270-I322 HydrophobicContact CE-CG2 3.96Å; M270-G324 WeakPolarHBondContact CE-O 3.22Å; M270-N325 HydrophobicContact SD-CB 4.11Å |
| 271 | W | 95.6 | Very high | 97.6 | Very high | 247 Ų | 247 | 46.2 Ų | 46.2 | 94% | 0.936 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -24.2 | 178.3 | -59.4 | 118.8 | 0 | 0 | 0 | 113.2 | S269 | S269-W271 VanDerWaalsContact C-N 3.27Å; S269-W271 WeakPolarHBondContact OG-CB 3.41Å; S269-W271 PolarHBondContact OG-N 2.67Å; S269-W271 VanDerWaalsContact OG-N 3.12Å |
| 272 | N | 95.5 | Very high | 97.7 | Very high | 93 Ų | 93 | 48.9 Ų | 48.9 | 50% | 0.497 | 26% | 0.259 | S | S | . | . | trans | -132.7 | 112.2 | 173.5 | -178.6 | 13.6 | 0 | 0 | 0 | 109 | A277 | N272-A277 WeakPolarHBondContact O-CB 3.49Š| ||
| 273 | T | 97.5 | Very high | 97.7 | Very high | 32 Ų | 32 | 48.9 Ų | 48.9 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | trans | -130.3 | 11.4 | -171.5 | 61.7 | 0 | 0 | 0 | 0 | 112.9 | L267 M270 I322 W327 | L267-T273 HydrophobicContact CD1-CG2 3.74Å; M270-T273 HydrophobicContact CE-CG2 4.19Å; M270-T273 WeakPolarHBondContact O-CG2 3.34Å; M270-T273 HydrophobicContact SD-CG2 4.4Å; T273-I322 VanDerWaalsContact CB-CD1 3.43Å; T273-I322 HydrophobicContact CG2-CD1 4.33Å; T273-I322 VanDerWaalsContact OG1-CD1 3.29Å; T273-I322 WeakPolarHBondContact OG1-CD1 3.49Å; T273-W327 VanDerWaalsContact O-CD1 3.23Å; T273-W327 PolarHBondContact O-NE1 2.95Å | ||
| 274 | G | 96.8 | Very high | 97.6 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 21% | 0.206 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -72.6 | -171.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T216 A277 | T216-G274 PolarHBondContact OG1-O 3.32Å; G274-A277 WeakPolarHBondContact O-CB 3.13Å; G274-A277 PolarHBondContact O-N 3.47Å |
| 275 | I | 96.7 | Very high | 97.4 | Very high | 23 Ų | 23 | 55 Ų | 55 | 12% | 0.118 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | 147.3 | 166.7 | -54.3 | 165.7 | 0 | 0 | 0 | 108.2 | V218 A277 D313 Y320 W327 | V218-I275 HydrophobicContact CG2-CD1 3.62Å; V218-I275 HydrophobicContact CG2-CG1 4.25Å; V218-I275 HydrophobicContact CG2-CG2 4.19Å; I275-A277 PolarHBondContact O-N 3.19Å; I275-D313 HydrophobicContact CD1-CB 3.7Å; I275-Y320 HydrophobicContact CG1-CD1 4.49Å; I275-Y320 HydrophobicContact CG1-CE1 4.47Å; I275-W327 HydrophobicContact CG1-CH2 4.37Å; I275-W327 HydrophobicContact CG1-CZ2 3.95Å |
| 276 | D | 96.8 | Very high | 96.8 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 12.7 | -168 | -58.1 | -63 | 0 | 0 | 0 | 115.4 | K215 T216 R225 | K215-D276 IonicContact NZ-OD1 2.77Å; K215-D276 PolarHBondContact NZ-OD1 3.46Å; T216-D276 VanDerWaalsContact O-CA 3.3Å; T216-D276 WeakPolarHBondContact O-CA 3.29Å; T216-D276 PolarHBondContact O-N 3.23Å; T216-D276 PolarHBondContact OG1-N 3.38Å; T216-D276 VanDerWaalsContact OG1-N 3.13Å; R225-D276 IonicContact CZ-OD2 3.94Å; R225-D276 IonicContact NH1-OD2 2.76Å; R225-D276 PolarHBondContact NH1-OD2 3.03Å; R225-D276 IonicContact NH2-OD1 3.44Å; R225-D276 PolarHBondContact NH2-OD1 2.89Å; R225-D276 IonicContact NH2-OD2 2.67Å; R225-D276 PolarHBondContact NH2-OD2 3.19Å |
| 277 | A | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.326 | C | S | . | . | trans | -63.9 | 141.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | K215 T216 L267 N272 G274 I275 A279 | K215-A277 CarbonylContact C-O 3.52Å; K215-A277 WeakPolarHBondContact CA-O 3.49Å; T216-A277 HydrophobicContact CG2-CB 4.31Å; T216-A277 PolarHBondContact N-O 3.02Å; T216-A277 PolarHBondContact OG1-N 3.01Å; L267-A277 HydrophobicContact CD2-CB 3.82Å; N272-A277 WeakPolarHBondContact O-CB 3.49Å; G274-A277 WeakPolarHBondContact O-CB 3.13Å; G274-A277 PolarHBondContact O-N 3.47Å; I275-A277 PolarHBondContact O-N 3.19Å; A277-A279 PolarHBondContact O-N 2.96Å | ||
| 278 | I | 98.2 | Very high | 95.7 | Very high | 119 Ų | 119 | 61.2 Ų | 61.2 | 61% | 0.61 | 34% | 0.335 | S | S | * | . | B | Isolated β-bridge | trans | -62.7 | 128.4 | 179.8 | -59.4 | 173.7 | 0 | 0 | 0 | 109.4 | A268 | A268-I278 HydrophobicContact CB-CB 4.22Å; A268-I278 HydrophobicContact CB-CG2 3.81Å; A268-I278 WeakPolarHBondContact CB-O 3.34Å; A268-I278 PolarHBondContact N-O 3.45Å |
| 279 | A | 98.3 | Very high | 95.3 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 152.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M214 W265 T266 A277 | M214-A279 PolarHBondContact O-N 3.29Å; W265-A279 HydrophobicContact CB-CB 3.73Å; W265-A279 VanDerWaalsContact CD1-CB 3.48Å; W265-A279 HydrophobicContact CG-CB 3.88Å; T266-A279 CarbonylContact O-C 3.5Å; T266-A279 WeakPolarHBondContact O-CA 3.43Å; A277-A279 PolarHBondContact O-N 2.96Å |
| 280 | L | 97.9 | Very high | 95 | Very high | 121 Ų | 121 | 60.3 Ų | 60.3 | 63% | 0.634 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -7.6 | 174.1 | -59.3 | 176.7 | 0 | 0 | 0 | 112.6 | T266 A268 | T266-L280 HydrophobicContact CG2-CD1 4.46Å; T266-L280 PolarHBondContact O-N 3.48Å; A268-L280 HydrophobicContact CB-CD2 3.75Å; A268-L280 HydrophobicContact CB-CG 3.97Å |
| 281 | G | 98.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 60.5 Ų | 60.5 | 5% | 0.052 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 141.6 | -164.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W265 T266 | W265-G281 WeakPolarHBondContact CA-O 3.33Å; T266-G281 PolarHBondContact N-O 3.47Å |
| 282 | P | 98.5 | Very high | 94.8 | Very high | 60 Ų | 60 | 51 Ų | 51 | 39% | 0.39 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 154.7 | -179.7 | 25.7 | -33.7 | 0 | 0 | 0 | 112 | T266 A292 | T266-P282 PolarHBondContact OG1-O 2.85Å; T266-P282 VanDerWaalsContact OG1-O 3.13Å; P282-A292 HydrophobicContact CB-CB 4.25Å; P282-A292 HydrophobicContact CG-CB 4.31Å |
| 283 | S | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 154.4 | 169.5 | 56.2 | 0 | 0 | 0 | 0 | 111.2 | G264 A292 G293 F328 | G264-S283 VanDerWaalsContact C-CB 3.46Å; G264-S283 WeakPolarHBondContact CA-OG 3.47Å; G264-S283 PolarHBondContact O-N 3.49Å; G264-S283 PolarHBondContact O-OG 2.91Å; S283-A292 CarbonylContact O-C 3.43Å; S283-A292 WeakPolarHBondContact O-CA 3.35Å; S283-A292 WeakPolarHBondContact O-CB 3.28Å; S283-G293 PolarHBondContact O-N 2.92Å; S283-G293 VanDerWaalsContact OG-CA 3.25Å; S283-G293 WeakPolarHBondContact OG-CA 3.39Å; S283-G293 PolarHBondContact OG-N 3.12Å; S283-F328 VanDerWaalsContact CB-CE1 3.42Å; S283-F328 WeakPolarHBondContact OG-CE1 3.44Å |
| 284 | T | 97.3 | Very high | 95 | Very high | 77 Ų | 77 | 45.5 Ų | 45.5 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | P | Polyproline II helix | trans | -59 | 146.5 | 173.1 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | Q326 | T284-Q326 PolarHBondContact OG1-OE1 2.97Š|
| 285 | T | 93.7 | Very high | 95 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 50% | 0.503 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 141.4 | 178.6 | 53.7 | 0 | 0 | 0 | 0 | 111 | G290 A292 | T285-G290 WeakPolarHBondContact CG2-O 3.42Å; T285-A292 HydrophobicContact CG2-CB 3.98Å |
| 286 | S | 86.3 | Confident | 95 | Very high | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.028 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 155.4 | 170 | 64.6 | 0 | 0 | 0 | 0 | 110.8 | Y288 G290 E299 | S286-Y288 VanDerWaalsContact C-N 3.27Å; S286-Y288 PolarHBondContact O-N 3.11Å; S286-G290 VanDerWaalsContact O-CA 3.3Å; S286-G290 WeakPolarHBondContact O-CA 3.28Å; S286-G290 PolarHBondContact O-N 3.21Å; S286-E299 WeakPolarHBondContact CB-OE1 3.25Å; S286-E299 WeakPolarHBondContact CB-OE2 3.42Å; S286-E299 PolarHBondContact OG-OE1 3.04Å; S286-E299 PolarHBondContact OG-OE2 2.95Å |
| 287 | P | 85 | Confident | 95 | Very high | 101 Ų | 101 | 41.1 Ų | 41.1 | 66% | 0.656 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -20.8 | -173.7 | 25.3 | -33.3 | 0 | 0 | 0 | 114.3 | ||
| 288 | Y | 88.9 | Confident | 95 | Very high | 51 Ų | 51 | 41.4 Ų | 41.4 | 20% | 0.2 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -48.7 | -176.5 | -52.5 | -77.6 | 0 | 0 | 0 | 112.7 | A34 E35 S286 Y298 E299 | A34-Y288 HydrophobicContact CB-CE1 4.21Å; E35-Y288 HydrophobicContact CB-CD1 4.39Å; E35-Y288 HydrophobicContact CB-CE1 3.88Å; E35-Y288 HydrophobicContact CG-CE1 4.49Å; S286-Y288 VanDerWaalsContact C-N 3.27Å; S286-Y288 PolarHBondContact O-N 3.11Å; Y288-Y298 AromaticContact CD2-CE2 3.94Å; Y288-Y298 HydrophobicContact CD2-CE2 3.94Å; Y288-Y298 HydrophobicContact CG-CE2 4.08Å; Y288-E299 VanDerWaalsContact CB-OE1 3.31Å; Y288-E299 WeakPolarHBondContact CB-OE1 3.27Å; Y288-E299 HydrophobicContact CD2-CG 3.96Å; Y288-E299 VanDerWaalsContact CD2-OE1 3.31Å; Y288-E299 WeakPolarHBondContact CD2-OE1 3.49Å; Y288-E299 PolarHBondContact N-OE1 3.29Å |
| 289 | L | 90.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 14% | 0.136 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -40.7 | 175.4 | -64.4 | -165.4 | 0 | 0 | 0 | 112.1 | E291 V294 A296 E299 Y365 | L289-E291 PolarHBondContact O-N 2.99Å; L289-V294 HydrophobicContact CD1-CG1 4.01Å; L289-A296 HydrophobicContact CD1-CB 3.88Å; L289-A296 VanDerWaalsContact CD1-N 3.32Å; L289-A296 HydrophobicContact CD2-CB 4.21Å; L289-A296 HydrophobicContact CG-CB 4.06Å; L289-E299 WeakPolarHBondContact CG-OE2 3.17Å; L289-E299 PolarHBondContact N-OE1 3.23Å; L289-Y365 HydrophobicContact CD1-CD1 4.13Å; L289-Y365 HydrophobicContact CD1-CE1 3.63Å; L289-Y365 HydrophobicContact CD2-CD1 3.78Å; L289-Y365 HydrophobicContact CD2-CE1 3.37Å; L289-Y365 HydrophobicContact CG-CE1 4.15Å |
| 290 | G | 89.8 | Confident | 94.8 | Very high | 49 Ų | 49 | 35.6 Ų | 35.6 | 51% | 0.505 | 22% | 0.217 | S | C | . | . | trans | 71.5 | 11.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | T285 S286 | T285-G290 WeakPolarHBondContact CG2-O 3.42Å; S286-G290 VanDerWaalsContact O-CA 3.3Å; S286-G290 WeakPolarHBondContact O-CA 3.28Å; S286-G290 PolarHBondContact O-N 3.21Å | ||
| 291 | E | 92.8 | Very high | 94.8 | Very high | 101 Ų | 101 | 30.2 Ų | 30.2 | 47% | 0.472 | 19% | 0.19 | S | C | . | . | trans | -106.4 | 133.2 | 179.9 | -172.6 | 175.3 | 161.5 | 0 | 0 | 111.1 | L289 V294 | L289-E291 PolarHBondContact O-N 2.99Å; E291-V294 HydrophobicContact CB-CB 4.37Å; E291-V294 HydrophobicContact CG-CB 4.29Å; E291-V294 HydrophobicContact CG-CG2 4.1Å; E291-V294 WeakPolarHBondContact OE1-CG2 3.07Å | ||
| 292 | A | 97.1 | Very high | 94.7 | Very high | 48 Ų | 48 | 32.7 Ų | 32.7 | 40% | 0.397 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 135.9 | 179 | 0 | 0 | 0 | 0 | 0 | 109.6 | P282 S283 T285 V294 | P282-A292 HydrophobicContact CB-CB 4.25Å; P282-A292 HydrophobicContact CG-CB 4.31Å; S283-A292 CarbonylContact O-C 3.43Å; S283-A292 WeakPolarHBondContact O-CA 3.35Å; S283-A292 WeakPolarHBondContact O-CB 3.28Å; T285-A292 HydrophobicContact CG2-CB 3.98Å; A292-V294 VanDerWaalsContact C-N 3.29Å; A292-V294 PolarHBondContact O-N 3.06Å |
| 293 | G | 97.9 | Very high | 94.5 | Very high | 2 Ų | 2 | 31.4 Ų | 31.4 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -1.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R263 G264 S283 | R263-G293 CarbonylContact C-O 3.56Å; R263-G293 VanDerWaalsContact CA-O 3.31Å; R263-G293 WeakPolarHBondContact CA-O 3.45Å; G264-G293 PolarHBondContact N-O 3.28Å; G264-G293 WeakPolarHBondContact O-CA 2.94Å; S283-G293 PolarHBondContact O-N 2.92Å; S283-G293 VanDerWaalsContact OG-CA 3.25Å; S283-G293 WeakPolarHBondContact OG-CA 3.39Å; S283-G293 PolarHBondContact OG-N 3.12Å |
| 294 | V | 97.5 | Very high | 94.5 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142.7 | 179 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | Y261 L289 E291 A292 | Y261-V294 HydrophobicContact CD2-CG1 4.03Å; L289-V294 HydrophobicContact CD1-CG1 4.01Å; E291-V294 HydrophobicContact CB-CB 4.37Å; E291-V294 HydrophobicContact CG-CB 4.29Å; E291-V294 HydrophobicContact CG-CG2 4.1Å; E291-V294 WeakPolarHBondContact OE1-CG2 3.07Å; A292-V294 VanDerWaalsContact C-N 3.29Å; A292-V294 PolarHBondContact O-N 3.06Å |
| 295 | I | 97.4 | Very high | 94.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 132.9 | 179.2 | -170.3 | 163 | 0 | 0 | 0 | 110.7 | Y261 G262 E299 I300 F328 | Y261-I295 CarbonylContact C-O 3.59Å; Y261-I295 VanDerWaalsContact CA-O 3.27Å; Y261-I295 WeakPolarHBondContact CA-O 3.15Å; Y261-I295 VanDerWaalsContact CB-O 3.28Å; Y261-I295 WeakPolarHBondContact CB-O 3.33Å; G262-I295 PolarHBondContact N-O 3.28Å; G262-I295 PolarHBondContact O-N 3.45Å; I295-E299 HydrophobicContact CD1-CB 3.97Å; I295-E299 HydrophobicContact CG1-CB 3.51Å; I295-I300 HydrophobicContact CD1-CD1 3.84Å; I295-I300 HydrophobicContact CD1-CG1 4.23Å; I295-I300 HydrophobicContact CG1-CD1 4.23Å; I295-I300 HydrophobicContact CG1-CG1 4.2Å; I295-I300 HydrophobicContact CG2-CD1 3.62Å; I295-I300 HydrophobicContact CG2-CG1 3.92Å; I295-F328 HydrophobicContact CB-CD1 3.9Å; I295-F328 HydrophobicContact CB-CE1 4.04Å; I295-F328 HydrophobicContact CD1-CD1 4.01Å; I295-F328 HydrophobicContact CD1-CD2 4.49Å; I295-F328 HydrophobicContact CD1-CE1 3.88Å; I295-F328 HydrophobicContact CD1-CE2 4.41Å; I295-F328 HydrophobicContact CD1-CG 4.31Å; I295-F328 HydrophobicContact CD1-CZ 4.12Å; I295-F328 HydrophobicContact CG2-CB 4.18Å; I295-F328 HydrophobicContact CG2-CD1 3.44Å; I295-F328 VanDerWaalsContact CG2-CD1 3.44Å; I295-F328 HydrophobicContact CG2-CE1 4.11Å; I295-F328 HydrophobicContact CG2-CG 4.04Å |
| 296 | A | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 154.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | L289 Y298 E299 I300 Y365 | L289-A296 HydrophobicContact CD1-CB 3.88Å; L289-A296 VanDerWaalsContact CD1-N 3.32Å; L289-A296 HydrophobicContact CD2-CB 4.21Å; L289-A296 HydrophobicContact CG-CB 4.06Å; A296-Y298 VanDerWaalsContact C-N 3.27Å; A296-Y298 HydrophobicContact CB-CD1 3.61Å; A296-Y298 HydrophobicContact CB-CD2 4.4Å; A296-Y298 HydrophobicContact CB-CE1 3.24Å; A296-Y298 HydrophobicContact CB-CE2 4.11Å; A296-Y298 HydrophobicContact CB-CG 4.17Å; A296-Y298 PolarHBondContact O-N 3.09Å; A296-E299 HydrophobicContact CB-CG 4.15Å; A296-E299 PolarHBondContact N-OE2 3.4Å; A296-E299 VanDerWaalsContact N-OE2 3.1Å; A296-E299 WeakPolarHBondContact O-CB 3.45Å; A296-E299 PolarHBondContact O-N 2.89Å; A296-I300 PolarHBondContact O-N 3.25Å; A296-Y365 HydrophobicContact CB-CD1 3.99Å; A296-Y365 HydrophobicContact CB-CG 4.31Å |
| 297 | Y | 97.5 | Very high | 95 | Very high | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.5 | -38 | 177.6 | 175.6 | -108.3 | 0 | 0 | 0 | 112.4 | T260 E299 I300 C301 Y330 D331 D332 E333 Y365 D366 C373 P382 L383 | T260-Y297 WeakPolarHBondContact O-CB 3.44Å; T260-Y297 PolarHBondContact O-N 3.38Å; Y297-E299 VanDerWaalsContact C-N 3.27Å; Y297-E299 PolarHBondContact O-N 2.76Å; Y297-I300 WeakPolarHBondContact O-CB 3.41Å; Y297-I300 PolarHBondContact O-N 3.32Å; Y297-I300 VanDerWaalsContact O-N 3.17Å; Y297-C301 PolarHBondContact O-N 3.49Å; Y297-Y330 HydrophobicContact CD2-CD2 4.3Å; Y297-Y330 HydrophobicContact CE2-CD2 4.45Å; Y297-D331 VanDerWaalsContact CD2-O 3.24Å; Y297-D331 WeakPolarHBondContact CD2-O 3.42Å; Y297-D332 HydrophobicContact CE2-CB 3.76Å; Y297-E333 PolarHBondContact OH-OE1 3.33Å; Y297-E333 PolarHBondContact OH-OE2 2.88Å; Y297-Y365 WeakPolarHBondContact CB-O 3.43Å; Y297-Y365 PolarHBondContact N-O 3Å; Y297-D366 WeakPolarHBondContact CD1-OD1 3.27Å; Y297-C373 WeakPolarHBondContact CE1-SG 3.45Å; Y297-P382 HydrophobicContact CD1-CG 4.42Å; Y297-P382 HydrophobicContact CE1-CG 3.76Å; Y297-L383 HydrophobicContact CD1-CD1 3.65Å; Y297-L383 HydrophobicContact CD1-CD2 4.39Å; Y297-L383 HydrophobicContact CD1-CG 3.79Å; Y297-L383 HydrophobicContact CD2-CD1 3.77Å; Y297-L383 HydrophobicContact CD2-CG 4.49Å; Y297-L383 HydrophobicContact CE1-CD1 4.1Å; Y297-L383 HydrophobicContact CE1-CD2 3.99Å; Y297-L383 HydrophobicContact CE1-CG 3.84Å; Y297-L383 HydrophobicContact CE2-CD1 4.2Å; Y297-L383 HydrophobicContact CE2-CD2 4.22Å; Y297-L383 HydrophobicContact CG-CD1 3.5Å; Y297-L383 VanDerWaalsContact CG-CD1 3.5Å; Y297-L383 HydrophobicContact CG-CG 4.16Å |
| 298 | Y | 96.5 | Very high | 95.6 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 3% | 0.027 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.5 | -30.3 | 174.3 | 63.7 | -101 | 0 | 0 | 0 | 113.4 | Y288 A296 C301 Q302 D364 Y365 D366 F368 A372 | Y288-Y298 AromaticContact CD2-CE2 3.94Å; Y288-Y298 HydrophobicContact CD2-CE2 3.94Å; Y288-Y298 HydrophobicContact CG-CE2 4.08Å; A296-Y298 VanDerWaalsContact C-N 3.27Å; A296-Y298 HydrophobicContact CB-CD1 3.61Å; A296-Y298 HydrophobicContact CB-CD2 4.4Å; A296-Y298 HydrophobicContact CB-CE1 3.24Å; A296-Y298 HydrophobicContact CB-CE2 4.11Å; A296-Y298 HydrophobicContact CB-CG 4.17Å; A296-Y298 PolarHBondContact O-N 3.09Å; Y298-C301 WeakPolarHBondContact O-CB 3.37Å; Y298-C301 PolarHBondContact O-N 3.15Å; Y298-Q302 WeakPolarHBondContact O-CG 3Å; Y298-Q302 PolarHBondContact O-N 2.68Å; Y298-Q302 VanDerWaalsContact O-N 3.14Å; Y298-D364 WeakPolarHBondContact CE1-O 3.49Å; Y298-Y365 VanDerWaalsContact CD1-O 3.32Å; Y298-Y365 WeakPolarHBondContact CD1-O 3.42Å; Y298-D366 WeakPolarHBondContact CD1-O 3.49Å; Y298-F368 HydrophobicContact CE1-CE1 4.15Å; Y298-A372 WeakPolarHBondContact O-CB 3.46Å |
| 299 | E | 96.2 | Very high | 96 | Very high | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.009 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -76.2 | -32.1 | 176.1 | -60.8 | -177.8 | 130.3 | 0 | 0 | 111.5 | S286 Y288 L289 I295 A296 Y297 Q302 R303 | S286-E299 WeakPolarHBondContact CB-OE1 3.25Å; S286-E299 WeakPolarHBondContact CB-OE2 3.42Å; S286-E299 PolarHBondContact OG-OE1 3.04Å; S286-E299 PolarHBondContact OG-OE2 2.95Å; Y288-E299 VanDerWaalsContact CB-OE1 3.31Å; Y288-E299 WeakPolarHBondContact CB-OE1 3.27Å; Y288-E299 HydrophobicContact CD2-CG 3.96Å; Y288-E299 VanDerWaalsContact CD2-OE1 3.31Å; Y288-E299 WeakPolarHBondContact CD2-OE1 3.49Å; Y288-E299 PolarHBondContact N-OE1 3.29Å; L289-E299 WeakPolarHBondContact CG-OE2 3.17Å; L289-E299 PolarHBondContact N-OE1 3.23Å; I295-E299 HydrophobicContact CD1-CB 3.97Å; I295-E299 HydrophobicContact CG1-CB 3.51Å; A296-E299 HydrophobicContact CB-CG 4.15Å; A296-E299 PolarHBondContact N-OE2 3.4Å; A296-E299 VanDerWaalsContact N-OE2 3.1Å; A296-E299 WeakPolarHBondContact O-CB 3.45Å; A296-E299 PolarHBondContact O-N 2.89Å; Y297-E299 VanDerWaalsContact C-N 3.27Å; Y297-E299 PolarHBondContact O-N 2.76Å; E299-Q302 PolarHBondContact O-N 2.8Å; E299-R303 WeakPolarHBondContact O-CG 3.35Å; E299-R303 PolarHBondContact O-N 2.59Å |
| 300 | I | 97.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.7 | -48.7 | 168.4 | -68 | -71.5 | 0 | 0 | 0 | 110.1 | I295 A296 Y297 Q302 R303 L304 L321 F328 Y330 | I295-I300 HydrophobicContact CD1-CD1 3.84Å; I295-I300 HydrophobicContact CD1-CG1 4.23Å; I295-I300 HydrophobicContact CG1-CD1 4.23Å; I295-I300 HydrophobicContact CG1-CG1 4.2Å; I295-I300 HydrophobicContact CG2-CD1 3.62Å; I295-I300 HydrophobicContact CG2-CG1 3.92Å; A296-I300 PolarHBondContact O-N 3.25Å; Y297-I300 WeakPolarHBondContact O-CB 3.41Å; Y297-I300 PolarHBondContact O-N 3.32Å; Y297-I300 VanDerWaalsContact O-N 3.17Å; I300-Q302 VanDerWaalsContact C-N 3.3Å; I300-Q302 PolarHBondContact O-N 3.42Å; I300-R303 PolarHBondContact O-N 3.33Å; I300-R303 VanDerWaalsContact O-N 3.15Å; I300-L304 HydrophobicContact CG2-CD1 3.93Å; I300-L304 HydrophobicContact CG2-CG 4.41Å; I300-L304 WeakPolarHBondContact O-CG 3.41Å; I300-L304 PolarHBondContact O-N 3.04Å; I300-L321 HydrophobicContact CD1-CB 4.43Å; I300-L321 HydrophobicContact CD1-CD2 3.72Å; I300-L321 HydrophobicContact CG2-CD2 4.29Å; I300-F328 HydrophobicContact CD1-CB 3.8Å; I300-F328 HydrophobicContact CD1-CG 4.22Å; I300-Y330 HydrophobicContact CB-CD2 4.41Å; I300-Y330 HydrophobicContact CD1-CD1 3.92Å; I300-Y330 HydrophobicContact CD1-CE1 4.43Å; I300-Y330 HydrophobicContact CD1-CG 4.06Å; I300-Y330 HydrophobicContact CG1-CD1 4.38Å; I300-Y330 HydrophobicContact CG1-CD2 4.26Å; I300-Y330 HydrophobicContact CG1-CG 4.03Å; I300-Y330 HydrophobicContact CG2-CD1 4.2Å; I300-Y330 HydrophobicContact CG2-CD2 3.7Å; I300-Y330 HydrophobicContact CG2-CE1 4Å; I300-Y330 HydrophobicContact CG2-CE2 3.43Å; I300-Y330 VanDerWaalsContact CG2-CE2 3.43Å; I300-Y330 HydrophobicContact CG2-CG 4.08Å |
| 301 | C | 96.9 | Very high | 96.7 | Very high | 8 Ų | 8 | 39.9 Ų | 39.9 | 5% | 0.054 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.3 | -41.4 | 176.5 | -72.7 | 0 | 0 | 0 | 0 | 112.6 | Y297 Y298 L304 A305 A372 C373 | Y297-C301 PolarHBondContact O-N 3.49Å; Y298-C301 WeakPolarHBondContact O-CB 3.37Å; Y298-C301 PolarHBondContact O-N 3.15Å; C301-L304 PolarHBondContact O-N 2.84Å; C301-A305 WeakPolarHBondContact O-CB 3.33Å; C301-A305 PolarHBondContact O-N 2.75Å; C301-A372 HydrophobicContact CB-CB 4.37Å; C301-C373 HydrophobicContact CB-CB 3.89Å; C301-C373 WeakPolarHBondContact CB-SG 3.4Å; C301-C373 VanDerWaalsContact SG-CA 3.58Å; C301-C373 WeakPolarHBondContact SG-CB 3.37Å; C301-C373 CovalentContact SG-SG 2.04Å; C301-C373 PolarHBondContact SG-SG 3.21Å |
| 302 | Q | 95.4 | Very high | 96.8 | Very high | 57 Ų | 57 | 37.2 Ų | 37.2 | 27% | 0.266 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.2 | -40.4 | 176.5 | -72.2 | 171 | -17.6 | 0 | 0 | 112.7 | Y298 E299 I300 A305 S306 A372 | Y298-Q302 WeakPolarHBondContact O-CG 3Å; Y298-Q302 PolarHBondContact O-N 2.68Å; Y298-Q302 VanDerWaalsContact O-N 3.14Å; E299-Q302 PolarHBondContact O-N 2.8Å; I300-Q302 VanDerWaalsContact C-N 3.3Å; I300-Q302 PolarHBondContact O-N 3.42Å; Q302-A305 PolarHBondContact O-N 3.04Å; Q302-S306 WeakPolarHBondContact O-CB 3.19Å; Q302-S306 PolarHBondContact O-N 3.39Å; Q302-S306 PolarHBondContact O-OG 3.34Å; Q302-A372 HydrophobicContact CG-CB 4.19Å |
| 303 | R | 96 | Very high | 96.6 | Very high | 33 Ų | 33 | 36.1 Ų | 36.1 | 13% | 0.125 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.5 | -40.7 | 176.7 | -71.9 | -176.7 | -173.4 | -123.7 | 9.4 | 111.8 | E299 I300 A305 S306 G307 G308 L321 | E299-R303 WeakPolarHBondContact O-CG 3.35Å; E299-R303 PolarHBondContact O-N 2.59Å; I300-R303 PolarHBondContact O-N 3.33Å; I300-R303 VanDerWaalsContact O-N 3.15Å; R303-A305 VanDerWaalsContact C-N 3.35Å; R303-S306 CarbonylContact O-C 3.58Å; R303-S306 PolarHBondContact O-N 2.98Å; R303-S306 VanDerWaalsContact O-N 3.09Å; R303-G307 PolarHBondContact O-N 3.33Å; R303-G308 WeakPolarHBondContact O-CA 3.5Å; R303-G308 PolarHBondContact O-N 3.45Å; R303-L321 HydrophobicContact CB-CD2 3.69Å |
| 304 | L | 96.8 | Very high | 96.3 | Very high | 56 Ų | 56 | 40.3 Ų | 40.3 | 29% | 0.293 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.3 | -47.2 | 172.4 | -73.9 | 168.2 | 0 | 0 | 0 | 111.1 | I300 C301 S306 G307 R310 L321 | I300-L304 HydrophobicContact CG2-CD1 3.93Å; I300-L304 HydrophobicContact CG2-CG 4.41Å; I300-L304 WeakPolarHBondContact O-CG 3.41Å; I300-L304 PolarHBondContact O-N 3.04Å; C301-L304 PolarHBondContact O-N 2.84Å; L304-S306 PolarHBondContact O-N 2.83Å; L304-G307 PolarHBondContact O-N 3.08Å; L304-G307 VanDerWaalsContact O-N 3.14Å; L304-R310 HydrophobicContact CD2-CB 3.9Å; L304-L321 HydrophobicContact CD2-CD1 3.54Å; L304-L321 HydrophobicContact CG-CD1 4.03Å |
| 305 | A | 95.7 | Very high | 96 | Very high | 70 Ų | 70 | 43.7 Ų | 43.7 | 58% | 0.579 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -63.4 | -22.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | C301 Q302 R303 | C301-A305 WeakPolarHBondContact O-CB 3.33Å; C301-A305 PolarHBondContact O-N 2.75Å; Q302-A305 PolarHBondContact O-N 3.04Å; R303-A305 VanDerWaalsContact C-N 3.35Å |
| 306 | S | 95.9 | Very high | 95.8 | Very high | 80 Ų | 80 | 43.8 Ų | 43.8 | 56% | 0.559 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 11.6 | 179.2 | -53.1 | 0 | 0 | 0 | 0 | 113.4 | Q302 R303 L304 | Q302-S306 WeakPolarHBondContact O-CB 3.19Å; Q302-S306 PolarHBondContact O-N 3.39Å; Q302-S306 PolarHBondContact O-OG 3.34Å; R303-S306 CarbonylContact O-C 3.58Å; R303-S306 PolarHBondContact O-N 2.98Å; R303-S306 VanDerWaalsContact O-N 3.09Å; L304-S306 PolarHBondContact O-N 2.83Å |
| 307 | G | 96.7 | Very high | 95.5 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 59% | 0.588 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 101.1 | 9.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R303 L304 | R303-G307 PolarHBondContact O-N 3.33Å; L304-G307 PolarHBondContact O-N 3.08Å; L304-G307 VanDerWaalsContact O-N 3.14Å |
| 308 | G | 97.8 | Very high | 95.2 | Very high | 11 Ų | 11 | 45 Ų | 45 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | trans | -62.8 | 144.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R303 I322 | R303-G308 WeakPolarHBondContact O-CA 3.5Å; R303-G308 PolarHBondContact O-N 3.45Å; G308-I322 CarbonylContact C-O 3.38Å; G308-I322 WeakPolarHBondContact CA-O 3.02Å | ||
| 309 | K | 97.9 | Very high | 95.2 | Very high | 144 Ų | 144 | 44.6 Ų | 44.6 | 63% | 0.626 | 24% | 0.241 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121.9 | -177.4 | -64.6 | -176.2 | 179.8 | -179.5 | 0 | 110.6 | H311 L321 I322 | K309-H311 PolarHBondContact O-CD2 3.49Å; K309-L321 WeakPolarHBondContact O-CA 3.25Å; K309-L321 WeakPolarHBondContact O-CD1 3.37Å; K309-I322 PolarHBondContact N-O 2.93Å; K309-I322 PolarHBondContact O-N 2.6Å |
| 310 | R | 97.4 | Very high | 95.3 | Very high | 85 Ų | 85 | 46 Ų | 46 | 32% | 0.321 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 139.3 | 171 | -176.4 | 175.1 | -175.6 | -89.9 | 4.2 | 110.3 | L304 P319 Y320 Y330 D332 E334 | L304-R310 HydrophobicContact CD2-CB 3.9Å; R310-P319 HydrophobicContact CG-CB 4.42Å; R310-Y320 CarbonylContact C-O 3.57Å; R310-Y320 WeakPolarHBondContact CA-O 3.42Å; R310-Y330 WeakPolarHBondContact CG-OH 3.16Å; R310-D332 IonicContact CZ-OD2 3.9Å; R310-D332 IonicContact NE-OD2 3.16Å; R310-D332 PolarHBondContact NE-OD2 3.34Å; R310-D332 IonicContact NH2-OD1 2.77Å; R310-D332 PolarHBondContact NH2-OD1 2.8Å; R310-D332 IonicContact NH2-OD2 3.21Å; R310-D332 PolarHBondContact NH2-OD2 3.1Å; R310-E334 IonicContact CZ-OE2 3.55Å; R310-E334 IonicContact NH1-OE2 3.13Å; R310-E334 PolarHBondContact NH1-OE2 3.11Å; R310-E334 IonicContact NH2-OE2 3.32Å; R310-E334 PolarHBondContact NH2-OE2 2.96Å |
| 311 | H | 96.7 | Very high | 95.3 | Very high | 65 Ų | 65 | 46 Ų | 46 | 30% | 0.301 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 158.5 | 171.4 | -64.5 | -97 | 0 | 0 | 0 | 108.9 | K309 P319 Y320 | K309-H311 PolarHBondContact O-CD2 3.49Å; H311-P319 CarbonylContact O-C 3.56Å; H311-P319 VanDerWaalsContact O-CA 3.22Å; H311-P319 WeakPolarHBondContact O-CA 3.27Å; H311-Y320 HydrophobicContact CB-CD1 3.88Å; H311-Y320 HydrophobicContact CB-CD2 3.78Å; H311-Y320 HydrophobicContact CB-CE1 3.45Å; H311-Y320 VanDerWaalsContact CB-CE1 3.45Å; H311-Y320 HydrophobicContact CB-CE2 3.35Å; H311-Y320 HydrophobicContact CB-CG 4.03Å; H311-Y320 AromaticContact CD2-CE2 3.89Å; H311-Y320 AromaticContact CG-CE2 3.57Å; H311-Y320 AromaticContact CG-CZ 3.71Å; H311-Y320 PolarHBondContact N-O 3.43Å; H311-Y320 PolarHBondContact O-N 2.98Å |
| 312 | W | 94.9 | Very high | 95.4 | Very high | 46 Ų | 46 | 46.4 Ų | 46.4 | 17% | 0.174 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 133.6 | -178.7 | -179.8 | -107.3 | 0 | 0 | 0 | 110.2 | H314 K317 P319 E334 | W312-H314 AromaticContact CD1-CD2 3.52Å; W312-H314 AromaticContact CD1-CE1 3.89Å; W312-H314 AromaticContact CD1-CG 3.82Å; W312-H314 AromaticContact CD1-NE2 3.56Å; W312-H314 AromaticContact NE1-CG 3.98Å; W312-K317 VanDerWaalsContact CH2-C 3.45Å; W312-K317 HydrophobicContact CH2-CB 4.38Å; W312-K317 WeakPolarHBondContact CH2-O 3.28Å; W312-K317 HydrophobicContact CZ2-CB 4.01Å; W312-K317 HydrophobicContact CZ2-CD 4.23Å; W312-P319 HydrophobicContact CE3-CB 4.16Å; W312-P319 HydrophobicContact CZ3-CB 4.49Å; W312-E334 HydrophobicContact CH2-CG 4.45Å; W312-E334 HydrophobicContact CZ3-CG 4.38Å |
| 313 | D | 93.6 | Very high | 95.5 | Very high | 25 Ų | 25 | 48.1 Ų | 48.1 | 13% | 0.134 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 115.1 | 169.9 | 178.2 | 54.1 | 0 | 0 | 0 | 110.5 | I275 E315 T316 K317 T318 | I275-D313 HydrophobicContact CD1-CB 3.7Å; D313-E315 VanDerWaalsContact C-N 3.33Å; D313-E315 PolarHBondContact O-N 3.48Å; D313-T316 WeakPolarHBondContact OD2-CB 3.42Å; D313-T316 VanDerWaalsContact OD2-CG2 3.22Å; D313-T316 WeakPolarHBondContact OD2-CG2 3.35Å; D313-T316 PolarHBondContact OD2-N 3.34Å; D313-T316 PolarHBondContact OD2-OG1 3.15Å; D313-K317 WeakPolarHBondContact O-CA 3.42Å; D313-K317 PolarHBondContact O-N 3.07Å; D313-T318 PolarHBondContact N-O 2.9Å; D313-T318 PolarHBondContact O-N 3.03Å |
| 314 | H | 90.9 | Very high | 95.5 | Very high | 90 Ų | 90 | 49 Ų | 49 | 42% | 0.417 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -24.3 | -175.9 | -75.8 | -103.7 | 0 | 0 | 0 | 113.2 | W312 K317 E341 | W312-H314 AromaticContact CD1-CD2 3.52Å; W312-H314 AromaticContact CD1-CE1 3.89Å; W312-H314 AromaticContact CD1-CG 3.82Å; W312-H314 AromaticContact CD1-NE2 3.56Å; W312-H314 AromaticContact NE1-CG 3.98Å; H314-K317 WeakPolarHBondContact O-CD 3.4Å; H314-K317 WeakPolarHBondContact O-CE 3.43Å; H314-K317 PolarHBondContact O-NZ 3.5Å; H314-E341 IonicContact CE1-OE1 3.57Å; H314-E341 IonicContact CE1-OE2 3.59Å; H314-E341 IonicContact CG-OE2 3.87Å; H314-E341 IonicContact ND1-OE1 3.67Å; H314-E341 IonicContact ND1-OE2 2.87Å; H314-E341 PolarHBondContact ND1-OE2 2.89Å |
| 315 | E | 91.9 | Very high | 95.6 | Very high | 78 Ų | 78 | 50 Ų | 50 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -54.5 | -177.6 | -64.1 | -159.4 | -107 | 0 | 0 | 111.3 | R225 S226 D313 K317 | R225-E315 HydrophobicContact CB-CB 4.45Å; R225-E315 HydrophobicContact CG-CB 4.09Å; S226-E315 WeakPolarHBondContact CA-OE2 3.49Å; S226-E315 WeakPolarHBondContact CB-OE2 3.34Å; S226-E315 PolarHBondContact N-OE1 2.98Å; S226-E315 PolarHBondContact N-OE2 3.04Å; S226-E315 PolarHBondContact OG-OE1 2.79Å; S226-E315 PolarHBondContact OG-OE2 3.09Å; D313-E315 VanDerWaalsContact C-N 3.33Å; D313-E315 PolarHBondContact O-N 3.48Å; E315-K317 VanDerWaalsContact C-N 3.27Å; E315-K317 PolarHBondContact O-N 3.45Å |
| 316 | T | 92.2 | Very high | 95.7 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -13.5 | 177.7 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | V218 P221 L222 Y223 R225 D313 T318 | V218-T316 HydrophobicContact CB-CG2 4.49Å; V218-T316 HydrophobicContact CG2-CG2 4.06Å; P221-T316 HydrophobicContact CB-CG2 3.78Å; L222-T316 PolarHBondContact N-O 2.91Å; L222-T316 VanDerWaalsContact N-O 3.1Å; Y223-T316 WeakPolarHBondContact O-CA 3.36Å; Y223-T316 WeakPolarHBondContact O-CG2 3.41Å; R225-T316 HydrophobicContact CG-CG2 3.4Å; R225-T316 VanDerWaalsContact CG-CG2 3.4Å; D313-T316 WeakPolarHBondContact OD2-CB 3.42Å; D313-T316 VanDerWaalsContact OD2-CG2 3.22Å; D313-T316 WeakPolarHBondContact OD2-CG2 3.35Å; D313-T316 PolarHBondContact OD2-N 3.34Å; D313-T316 PolarHBondContact OD2-OG1 3.15Å; T316-T318 PolarHBondContact O-OG1 3.35Å; T316-T318 WeakPolarHBondContact OG1-CB 3.24Å; T316-T318 PolarHBondContact OG1-OG1 3.48Å; T316-T318 VanDerWaalsContact OG1-OG1 3.12Å |
| 317 | K | 90.7 | Very high | 95.8 | Very high | 27 Ų | 27 | 43.4 Ų | 43.4 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 51 | -176.5 | -54.8 | -69.7 | -176.9 | -154.3 | 0 | 111.6 | Y223 W312 D313 H314 E315 K339 V340 | Y223-K317 HydrophobicContact CD2-CG 4.35Å; W312-K317 VanDerWaalsContact CH2-C 3.45Å; W312-K317 HydrophobicContact CH2-CB 4.38Å; W312-K317 WeakPolarHBondContact CH2-O 3.28Å; W312-K317 HydrophobicContact CZ2-CB 4.01Å; W312-K317 HydrophobicContact CZ2-CD 4.23Å; D313-K317 WeakPolarHBondContact O-CA 3.42Å; D313-K317 PolarHBondContact O-N 3.07Å; H314-K317 WeakPolarHBondContact O-CD 3.4Å; H314-K317 WeakPolarHBondContact O-CE 3.43Å; H314-K317 PolarHBondContact O-NZ 3.5Å; E315-K317 VanDerWaalsContact C-N 3.27Å; E315-K317 PolarHBondContact O-N 3.45Å; K317-K339 HydrophobicContact CB-CB 3.55Å; K317-K339 HydrophobicContact CB-CD 3.49Å; K317-K339 VanDerWaalsContact CB-CD 3.49Å; K317-K339 HydrophobicContact CB-CG 3.5Å; K317-K339 HydrophobicContact CD-CB 4.22Å; K317-K339 HydrophobicContact CG-CB 3.85Å; K317-K339 HydrophobicContact CG-CD 4.44Å; K317-K339 HydrophobicContact CG-CG 4.35Å; K317-K339 WeakPolarHBondContact O-CD 3.45Å; K317-K339 WeakPolarHBondContact O-CE 3.02Å; K317-K339 PolarHBondContact O-NZ 2.63Å; K317-V340 WeakPolarHBondContact CD-O 3.17Å; K317-V340 WeakPolarHBondContact CE-O 3.19Å; K317-V340 PolarHBondContact NZ-O 3.21Å |
| 318 | T | 92.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 140.4 | -173.5 | -42.6 | 0 | 0 | 0 | 0 | 110.2 | V218 D313 T316 Y330 | V218-T318 HydrophobicContact CG1-CG2 3.67Å; V218-T318 WeakPolarHBondContact CG1-OG1 3.14Å; D313-T318 PolarHBondContact N-O 2.9Å; D313-T318 PolarHBondContact O-N 3.03Å; T316-T318 PolarHBondContact O-OG1 3.35Å; T316-T318 WeakPolarHBondContact OG1-CB 3.24Å; T316-T318 PolarHBondContact OG1-OG1 3.48Å; T316-T318 VanDerWaalsContact OG1-OG1 3.12Å; T318-Y330 VanDerWaalsContact CG2-O 3.25Å; T318-Y330 WeakPolarHBondContact CG2-O 3.46Å |
| 319 | P | 95.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 160.5 | 173.1 | 34 | -36.7 | 0 | 0 | 0 | 111.7 | R310 H311 W312 Y330 | R310-P319 HydrophobicContact CG-CB 4.42Å; H311-P319 CarbonylContact O-C 3.56Å; H311-P319 VanDerWaalsContact O-CA 3.22Å; H311-P319 WeakPolarHBondContact O-CA 3.27Å; W312-P319 HydrophobicContact CE3-CB 4.16Å; W312-P319 HydrophobicContact CZ3-CB 4.49Å; P319-Y330 HydrophobicContact CB-CE1 3.95Å; P319-Y330 HydrophobicContact CB-CE2 4.33Å; P319-Y330 WeakPolarHBondContact CD-O 3.4Å; P319-Y330 HydrophobicContact CG-CD1 4.27Å; P319-Y330 HydrophobicContact CG-CD2 4.07Å; P319-Y330 HydrophobicContact CG-CE1 4.04Å; P319-Y330 HydrophobicContact CG-CE2 3.86Å; P319-Y330 HydrophobicContact CG-CG 4.28Å; P319-Y330 WeakPolarHBondContact CG-O 3.23Å; P319-Y330 PolarHBondContact O-N 2.99Å |
| 320 | Y | 97.9 | Very high | 95.9 | Very high | 32 Ų | 32 | 33.4 Ų | 33.4 | 13% | 0.125 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 157.7 | 161.6 | 63.3 | -84.9 | 0 | 0 | 0 | 111 | I275 R310 H311 I322 W327 F328 | I275-Y320 HydrophobicContact CG1-CD1 4.49Å; I275-Y320 HydrophobicContact CG1-CE1 4.47Å; R310-Y320 CarbonylContact C-O 3.57Å; R310-Y320 WeakPolarHBondContact CA-O 3.42Å; H311-Y320 HydrophobicContact CB-CD1 3.88Å; H311-Y320 HydrophobicContact CB-CD2 3.78Å; H311-Y320 HydrophobicContact CB-CE1 3.45Å; H311-Y320 VanDerWaalsContact CB-CE1 3.45Å; H311-Y320 HydrophobicContact CB-CE2 3.35Å; H311-Y320 HydrophobicContact CB-CG 4.03Å; H311-Y320 AromaticContact CD2-CE2 3.89Å; H311-Y320 AromaticContact CG-CE2 3.57Å; H311-Y320 AromaticContact CG-CZ 3.71Å; H311-Y320 PolarHBondContact N-O 3.43Å; H311-Y320 PolarHBondContact O-N 2.98Å; Y320-I322 HydrophobicContact CD2-CG1 4.32Å; Y320-I322 HydrophobicContact CE2-CD1 4.09Å; Y320-I322 HydrophobicContact CE2-CG1 4.35Å; Y320-W327 HydrophobicContact CD1-CZ2 4.23Å; Y320-W327 AromaticContact CD2-CE2 3.56Å; Y320-W327 AromaticContact CD2-CZ2 3.72Å; Y320-W327 HydrophobicContact CD2-CZ2 3.72Å; Y320-W327 AromaticContact CD2-NE1 3.22Å; Y320-W327 HydrophobicContact CE2-CZ2 4.47Å; Y320-W327 AromaticContact CE2-NE1 3.63Å; Y320-W327 AromaticContact CG-CE2 3.89Å; Y320-W327 HydrophobicContact CG-CH2 4.41Å; Y320-W327 AromaticContact CG-CZ2 3.57Å; Y320-W327 HydrophobicContact CG-CZ2 3.57Å; Y320-F328 CarbonylContact C-O 3.58Å; Y320-F328 WeakPolarHBondContact CA-O 3.33Å; Y320-F328 VanDerWaalsContact CB-O 3.31Å; Y320-F328 WeakPolarHBondContact CB-O 3.48Å |
| 321 | L | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 131.5 | -174.5 | 170.8 | 67.3 | 0 | 0 | 0 | 109 | I300 R303 L304 K309 W327 F328 Y330 | I300-L321 HydrophobicContact CD1-CB 4.43Å; I300-L321 HydrophobicContact CD1-CD2 3.72Å; I300-L321 HydrophobicContact CG2-CD2 4.29Å; R303-L321 HydrophobicContact CB-CD2 3.69Å; L304-L321 HydrophobicContact CD2-CD1 3.54Å; L304-L321 HydrophobicContact CG-CD1 4.03Å; K309-L321 WeakPolarHBondContact O-CA 3.25Å; K309-L321 WeakPolarHBondContact O-CD1 3.37Å; L321-W327 CarbonylContact O-C 3.55Å; L321-W327 WeakPolarHBondContact O-CA 3.42Å; L321-F328 HydrophobicContact CB-CB 4.34Å; L321-F328 HydrophobicContact CD2-CD2 4.14Å; L321-F328 HydrophobicContact CG-CD2 4.44Å; L321-F328 PolarHBondContact N-O 3.06Å; L321-F328 PolarHBondContact O-N 2.86Å; L321-Y330 HydrophobicContact CB-CD1 4.4Å; L321-Y330 HydrophobicContact CB-CE1 3.8Å |
| 322 | I | 98.2 | Very high | 95.7 | Very high | 16 Ų | 16 | 26.9 Ų | 26.9 | 8% | 0.082 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.9 | 168.2 | -60.3 | 169.2 | 0 | 0 | 0 | 108.9 | M270 T273 G308 K309 Y320 Q326 | M270-I322 HydrophobicContact CE-CG2 3.96Å; T273-I322 VanDerWaalsContact CB-CD1 3.43Å; T273-I322 HydrophobicContact CG2-CD1 4.33Å; T273-I322 VanDerWaalsContact OG1-CD1 3.29Å; T273-I322 WeakPolarHBondContact OG1-CD1 3.49Å; G308-I322 CarbonylContact C-O 3.38Å; G308-I322 WeakPolarHBondContact CA-O 3.02Å; K309-I322 PolarHBondContact N-O 2.93Å; K309-I322 PolarHBondContact O-N 2.6Å; Y320-I322 HydrophobicContact CD2-CG1 4.32Å; Y320-I322 HydrophobicContact CE2-CD1 4.09Å; Y320-I322 HydrophobicContact CE2-CG1 4.35Å; I322-Q326 WeakPolarHBondContact CA-O 3.3Å |
| 323 | Y | 97.4 | Very high | 95.4 | Very high | 92 Ų | 92 | 26.4 Ų | 26.4 | 36% | 0.361 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 103.2 | 175.8 | -178.4 | -104.7 | 0 | 0 | 0 | 110.3 | N325 Q326 | Y323-N325 PolarHBondContact O-N 2.71Å; Y323-Q326 PolarHBondContact N-O 3.48Å; Y323-Q326 VanDerWaalsContact O-CB 3.27Å; Y323-Q326 WeakPolarHBondContact O-CB 3.27Å; Y323-Q326 PolarHBondContact O-N 2.89Å |
| 324 | G | 96.6 | Very high | 95.1 | Very high | 53 Ų | 53 | 28.4 Ų | 28.4 | 55% | 0.546 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | -131.7 | -165.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | M270 Q326 | M270-G324 WeakPolarHBondContact CE-O 3.22Å; G324-Q326 VanDerWaalsContact C-N 3.29Å |
| 325 | N | 97.8 | Very high | 94.7 | Very high | 76 Ų | 76 | 24.1 Ų | 24.1 | 41% | 0.406 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 13.5 | 172.9 | 70.9 | -16.8 | 0 | 0 | 0 | 113.8 | T266 L267 M270 Y323 | T266-N325 WeakPolarHBondContact CG2-ND2 3.35Å; L267-N325 PolarHBondContact N-O 3.1Å; M270-N325 HydrophobicContact SD-CB 4.11Å; Y323-N325 PolarHBondContact O-N 2.71Å |
| 326 | Q | 98.4 | Very high | 94.1 | Very high | 11 Ų | 11 | 20.4 Ų | 20.4 | 5% | 0.051 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 129.7 | 178.7 | -53.1 | -64.8 | -69.4 | 0 | 0 | 109.4 | T266 T284 I322 Y323 G324 F328 | T266-Q326 PolarHBondContact OG1-NE2 3.44Å; T266-Q326 VanDerWaalsContact OG1-NE2 3.1Å; T284-Q326 PolarHBondContact OG1-OE1 2.97Å; I322-Q326 WeakPolarHBondContact CA-O 3.3Å; Y323-Q326 PolarHBondContact N-O 3.48Å; Y323-Q326 VanDerWaalsContact O-CB 3.27Å; Y323-Q326 WeakPolarHBondContact O-CB 3.27Å; Y323-Q326 PolarHBondContact O-N 2.89Å; G324-Q326 VanDerWaalsContact C-N 3.29Å; Q326-F328 HydrophobicContact CB-CE2 3.5Å; Q326-F328 HydrophobicContact CB-CZ 3.88Å |
| 327 | W | 98.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 133.3 | -177.6 | -170.2 | 103.5 | 0 | 0 | 0 | 109.5 | T216 G217 G264 W265 L267 T273 I275 Y320 L321 T329 | T216-W327 HydrophobicContact CG2-CB 4.08Å; T216-W327 HydrophobicContact CG2-CD2 3.56Å; T216-W327 HydrophobicContact CG2-CE3 3.8Å; T216-W327 HydrophobicContact CG2-CG 3.7Å; T216-W327 HydrophobicContact CG2-CZ3 4.41Å; G217-W327 VanDerWaalsContact O-CH2 3.3Å; G217-W327 WeakPolarHBondContact O-CH2 3.38Å; G217-W327 VanDerWaalsContact O-CZ3 3.23Å; G217-W327 WeakPolarHBondContact O-CZ3 3.28Å; G264-W327 CarbonylContact C-O 2.91Å; G264-W327 WeakPolarHBondContact CA-O 3.29Å; W265-W327 AromaticContact CE3-CE3 3.57Å; W265-W327 HydrophobicContact CE3-CE3 3.57Å; W265-W327 AromaticContact CE3-CZ3 3.74Å; W265-W327 HydrophobicContact CE3-CZ3 3.74Å; W265-W327 HydrophobicContact CH2-CZ3 4.48Å; W265-W327 AromaticContact CZ3-CE3 3.86Å; W265-W327 HydrophobicContact CZ3-CE3 3.86Å; W265-W327 AromaticContact CZ3-CZ3 3.52Å; W265-W327 HydrophobicContact CZ3-CZ3 3.52Å; W265-W327 PolarHBondContact N-O 2.84Å; W265-W327 PolarHBondContact O-N 3.06Å; L267-W327 HydrophobicContact CD1-CB 4.14Å; L267-W327 HydrophobicContact CD2-CB 4.06Å; L267-W327 HydrophobicContact CD2-CG 4.32Å; L267-W327 HydrophobicContact CG-CB 3.92Å; T273-W327 VanDerWaalsContact O-CD1 3.23Å; T273-W327 PolarHBondContact O-NE1 2.95Å; I275-W327 HydrophobicContact CG1-CH2 4.37Å; I275-W327 HydrophobicContact CG1-CZ2 3.95Å; Y320-W327 HydrophobicContact CD1-CZ2 4.23Å; Y320-W327 AromaticContact CD2-CE2 3.56Å; Y320-W327 AromaticContact CD2-CZ2 3.72Å; Y320-W327 HydrophobicContact CD2-CZ2 3.72Å; Y320-W327 AromaticContact CD2-NE1 3.22Å; Y320-W327 HydrophobicContact CE2-CZ2 4.47Å; Y320-W327 AromaticContact CE2-NE1 3.63Å; Y320-W327 AromaticContact CG-CE2 3.89Å; Y320-W327 HydrophobicContact CG-CH2 4.41Å; Y320-W327 AromaticContact CG-CZ2 3.57Å; Y320-W327 HydrophobicContact CG-CZ2 3.57Å; L321-W327 CarbonylContact O-C 3.55Å; L321-W327 WeakPolarHBondContact O-CA 3.42Å; W327-T329 HydrophobicContact CH2-CG2 4.29Å; W327-T329 HydrophobicContact CZ3-CG2 3.81Å |
| 328 | F | 98.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 130.4 | 179.8 | -53.8 | -91.1 | 0 | 0 | 0 | 111.5 | R263 S283 I295 I300 Y320 L321 Q326 | R263-F328 CarbonylContact O-C 3.47Å; R263-F328 WeakPolarHBondContact O-CA 3.41Å; S283-F328 VanDerWaalsContact CB-CE1 3.42Å; S283-F328 WeakPolarHBondContact OG-CE1 3.44Å; I295-F328 HydrophobicContact CB-CD1 3.9Å; I295-F328 HydrophobicContact CB-CE1 4.04Å; I295-F328 HydrophobicContact CD1-CD1 4.01Å; I295-F328 HydrophobicContact CD1-CD2 4.49Å; I295-F328 HydrophobicContact CD1-CE1 3.88Å; I295-F328 HydrophobicContact CD1-CE2 4.41Å; I295-F328 HydrophobicContact CD1-CG 4.31Å; I295-F328 HydrophobicContact CD1-CZ 4.12Å; I295-F328 HydrophobicContact CG2-CB 4.18Å; I295-F328 HydrophobicContact CG2-CD1 3.44Å; I295-F328 VanDerWaalsContact CG2-CD1 3.44Å; I295-F328 HydrophobicContact CG2-CE1 4.11Å; I295-F328 HydrophobicContact CG2-CG 4.04Å; I300-F328 HydrophobicContact CD1-CB 3.8Å; I300-F328 HydrophobicContact CD1-CG 4.22Å; Y320-F328 CarbonylContact C-O 3.58Å; Y320-F328 WeakPolarHBondContact CA-O 3.33Å; Y320-F328 VanDerWaalsContact CB-O 3.31Å; Y320-F328 WeakPolarHBondContact CB-O 3.48Å; L321-F328 HydrophobicContact CB-CB 4.34Å; L321-F328 HydrophobicContact CD2-CD2 4.14Å; L321-F328 HydrophobicContact CG-CD2 4.44Å; L321-F328 PolarHBondContact N-O 3.06Å; L321-F328 PolarHBondContact O-N 2.86Å; Q326-F328 HydrophobicContact CB-CE2 3.5Å; Q326-F328 HydrophobicContact CB-CZ 3.88Å |
| 329 | T | 98.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 144 | 163.5 | 177 | 0 | 0 | 0 | 0 | 108.5 | G217 N219 G262 R263 W265 W327 | G217-T329 WeakPolarHBondContact O-CG2 3.14Å; N219-T329 HydrophobicContact CB-CG2 3.56Å; N219-T329 PolarHBondContact N-OG1 3.23Å; G262-T329 CarbonylContact C-O 3.55Å; G262-T329 WeakPolarHBondContact CA-O 3.41Å; R263-T329 HydrophobicContact CB-CG2 4.35Å; R263-T329 PolarHBondContact N-O 2.85Å; R263-T329 WeakPolarHBondContact O-CG2 3.32Å; R263-T329 PolarHBondContact O-N 3.13Å; W265-T329 HydrophobicContact CZ3-CG2 4.06Å; W327-T329 HydrophobicContact CH2-CG2 4.29Å; W327-T329 HydrophobicContact CZ3-CG2 3.81Å |
| 330 | Y | 97.6 | Very high | 86.2 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | trans | -158.7 | 175.4 | -175.4 | 62.7 | -74.9 | 0 | 0 | 0 | 109.6 | Y297 I300 R310 T318 P319 L321 D332 | Y297-Y330 HydrophobicContact CD2-CD2 4.3Å; Y297-Y330 HydrophobicContact CE2-CD2 4.45Å; I300-Y330 HydrophobicContact CB-CD2 4.41Å; I300-Y330 HydrophobicContact CD1-CD1 3.92Å; I300-Y330 HydrophobicContact CD1-CE1 4.43Å; I300-Y330 HydrophobicContact CD1-CG 4.06Å; I300-Y330 HydrophobicContact CG1-CD1 4.38Å; I300-Y330 HydrophobicContact CG1-CD2 4.26Å; I300-Y330 HydrophobicContact CG1-CG 4.03Å; I300-Y330 HydrophobicContact CG2-CD1 4.2Å; I300-Y330 HydrophobicContact CG2-CD2 3.7Å; I300-Y330 HydrophobicContact CG2-CE1 4Å; I300-Y330 HydrophobicContact CG2-CE2 3.43Å; I300-Y330 VanDerWaalsContact CG2-CE2 3.43Å; I300-Y330 HydrophobicContact CG2-CG 4.08Å; R310-Y330 WeakPolarHBondContact CG-OH 3.16Å; T318-Y330 VanDerWaalsContact CG2-O 3.25Å; T318-Y330 WeakPolarHBondContact CG2-O 3.46Å; P319-Y330 HydrophobicContact CB-CE1 3.95Å; P319-Y330 HydrophobicContact CB-CE2 4.33Å; P319-Y330 WeakPolarHBondContact CD-O 3.4Å; P319-Y330 HydrophobicContact CG-CD1 4.27Å; P319-Y330 HydrophobicContact CG-CD2 4.07Å; P319-Y330 HydrophobicContact CG-CE1 4.04Å; P319-Y330 HydrophobicContact CG-CE2 3.86Å; P319-Y330 HydrophobicContact CG-CG 4.28Å; P319-Y330 WeakPolarHBondContact CG-O 3.23Å; P319-Y330 PolarHBondContact O-N 2.99Å; L321-Y330 HydrophobicContact CB-CD1 4.4Å; L321-Y330 HydrophobicContact CB-CE1 3.8Å; Y330-D332 HydrophobicContact CD2-CB 4.26Å; Y330-D332 HydrophobicContact CE2-CB 3.8Å | ||
| 331 | D | 95 | Very high | 83.5 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.011 | 18% | 0.176 | C | C | . | . | trans | -108.5 | 144.7 | 164.2 | -77.7 | -70.4 | 0 | 0 | 0 | 110.9 | S220 Y297 S335 I336 K339 | S220-D331 WeakPolarHBondContact CB-OD2 3.41Å; Y297-D331 VanDerWaalsContact CD2-O 3.24Å; Y297-D331 WeakPolarHBondContact CD2-O 3.42Å; D331-S335 WeakPolarHBondContact CA-OG 2.84Å; D331-S335 VanDerWaalsContact CB-OG 3.23Å; D331-S335 WeakPolarHBondContact CB-OG 3.49Å; D331-S335 VanDerWaalsContact OD1-CB 3.27Å; D331-S335 WeakPolarHBondContact OD1-CB 3.31Å; D331-S335 PolarHBondContact OD1-OG 2.94Å; D331-I336 HydrophobicContact CB-CD1 4.44Å; D331-I336 HydrophobicContact CB-CG1 4.16Å; D331-K339 IonicContact OD1-NZ 3.41Å | ||
| 332 | D | 93.9 | Very high | 81.1 | Confident | 10 Ų | 10 | 42.3 Ų | 42.3 | 5% | 0.053 | 22% | 0.217 | C | C | . | . | trans | -129.3 | -174.4 | 172.9 | 62.1 | 21.4 | 0 | 0 | 0 | 111.1 | Y297 R310 Y330 E334 S335 I336 | Y297-D332 HydrophobicContact CE2-CB 3.76Å; R310-D332 IonicContact CZ-OD2 3.9Å; R310-D332 IonicContact NE-OD2 3.16Å; R310-D332 PolarHBondContact NE-OD2 3.34Å; R310-D332 IonicContact NH2-OD1 2.77Å; R310-D332 PolarHBondContact NH2-OD1 2.8Å; R310-D332 IonicContact NH2-OD2 3.21Å; R310-D332 PolarHBondContact NH2-OD2 3.1Å; Y330-D332 HydrophobicContact CD2-CB 4.26Å; Y330-D332 HydrophobicContact CE2-CB 3.8Å; D332-E334 PolarHBondContact O-N 3.07Å; D332-E334 WeakPolarHBondContact OD1-CA 3.38Å; D332-E334 WeakPolarHBondContact OD1-CB 3.45Å; D332-E334 PolarHBondContact OD1-N 2.85Å; D332-S335 PolarHBondContact N-OG 3.36Å; D332-S335 PolarHBondContact O-N 3.39Å; D332-S335 PolarHBondContact O-OG 2.61Å; D332-S335 PolarHBondContact OD1-N 3.13Å; D332-I336 WeakPolarHBondContact O-CB 3.45Å; D332-I336 WeakPolarHBondContact O-CG1 3.44Å; D332-I336 PolarHBondContact O-N 3.02Å | ||
| 333 | E | 90.1 | Very high | 78.2 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 17% | 0.168 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -31.9 | 178.7 | -60.1 | 88.9 | 149.1 | 0 | 0 | 111.6 | Y297 K337 H375 N376 L383 L386 | Y297-E333 PolarHBondContact OH-OE1 3.33Å; Y297-E333 PolarHBondContact OH-OE2 2.88Å; E333-K337 WeakPolarHBondContact O-CA 3.22Å; E333-K337 WeakPolarHBondContact O-CB 3.47Å; E333-K337 PolarHBondContact O-N 2.92Å; E333-H375 IonicContact OE1-CD2 3.35Å; E333-H375 IonicContact OE1-CE1 2.84Å; E333-H375 IonicContact OE1-NE2 3.74Å; E333-H375 PolarHBondContact OE1-NE2 2.7Å; E333-H375 IonicContact OE2-NE2 3.73Å; E333-N376 VanDerWaalsContact OE1-CG 3.3Å; E333-N376 PolarHBondContact OE1-ND2 3.37Å; E333-N376 PolarHBondContact OE1-OD1 2.91Å; E333-N376 VanDerWaalsContact OE1-OD1 3.12Å; E333-L383 HydrophobicContact CG-CD2 3.99Å; E333-L386 HydrophobicContact CB-CD2 4.14Å; E333-L386 HydrophobicContact CG-CD2 4.48Å |
| 334 | E | 87 | Confident | 75.7 | Confident | 68 Ų | 68 | 46.4 Ų | 46.4 | 32% | 0.318 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -71.1 | -45.7 | 175.4 | -169.4 | -179.6 | -164.4 | 0 | 0 | 110.2 | R310 W312 D332 I336 Y338 | R310-E334 IonicContact CZ-OE2 3.55Å; R310-E334 IonicContact NH1-OE2 3.13Å; R310-E334 PolarHBondContact NH1-OE2 3.11Å; R310-E334 IonicContact NH2-OE2 3.32Å; R310-E334 PolarHBondContact NH2-OE2 2.96Å; W312-E334 HydrophobicContact CH2-CG 4.45Å; W312-E334 HydrophobicContact CZ3-CG 4.38Å; D332-E334 PolarHBondContact O-N 3.07Å; D332-E334 WeakPolarHBondContact OD1-CA 3.38Å; D332-E334 WeakPolarHBondContact OD1-CB 3.45Å; D332-E334 PolarHBondContact OD1-N 2.85Å; E334-I336 VanDerWaalsContact C-N 3.35Å; E334-I336 PolarHBondContact O-N 2.98Å; E334-Y338 CarbonylContact O-C 3.6Å; E334-Y338 WeakPolarHBondContact O-CA 3.13Å; E334-Y338 WeakPolarHBondContact O-CB 2.92Å; E334-Y338 PolarHBondContact O-N 3.07Å |
| 335 | S | 82.3 | Confident | 74.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.7 | -28.5 | 177.3 | 73 | 0 | 0 | 0 | 0 | 113.7 | D331 D332 K339 | D331-S335 WeakPolarHBondContact CA-OG 2.84Å; D331-S335 VanDerWaalsContact CB-OG 3.23Å; D331-S335 WeakPolarHBondContact CB-OG 3.49Å; D331-S335 VanDerWaalsContact OD1-CB 3.27Å; D331-S335 WeakPolarHBondContact OD1-CB 3.31Å; D331-S335 PolarHBondContact OD1-OG 2.94Å; D332-S335 PolarHBondContact N-OG 3.36Å; D332-S335 PolarHBondContact O-N 3.39Å; D332-S335 PolarHBondContact O-OG 2.61Å; D332-S335 PolarHBondContact OD1-N 3.13Å; S335-K339 WeakPolarHBondContact O-CD 3Å; S335-K339 WeakPolarHBondContact O-CE 3.14Å; S335-K339 WeakPolarHBondContact O-CG 3.33Å |
| 336 | I | 80.1 | Confident | 73 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -79.5 | -42.8 | 175.2 | -65.3 | -176.8 | 0 | 0 | 0 | 111.4 | L258 D331 D332 E334 L347 L383 L386 | L258-I336 HydrophobicContact CD1-CG2 4.42Å; D331-I336 HydrophobicContact CB-CD1 4.44Å; D331-I336 HydrophobicContact CB-CG1 4.16Å; D332-I336 WeakPolarHBondContact O-CB 3.45Å; D332-I336 WeakPolarHBondContact O-CG1 3.44Å; D332-I336 PolarHBondContact O-N 3.02Å; E334-I336 VanDerWaalsContact C-N 3.35Å; E334-I336 PolarHBondContact O-N 2.98Å; I336-L347 HydrophobicContact CG2-CD1 3.84Å; I336-L347 HydrophobicContact CG2-CG 4.34Å; I336-L383 HydrophobicContact CD1-CB 3.72Å; I336-L383 HydrophobicContact CD1-CD1 4.01Å; I336-L383 HydrophobicContact CD1-CD2 3.87Å; I336-L383 HydrophobicContact CD1-CG 4.05Å; I336-L386 HydrophobicContact CB-CD2 3.75Å; I336-L386 HydrophobicContact CG2-CD2 3.54Å; I336-L386 HydrophobicContact CG2-CG 3.96Å |
| 337 | K | 70.8 | Confident | 71.7 | Confident | 48 Ų | 48 | 41.8 Ų | 41.8 | 21% | 0.209 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -89.9 | -37.1 | -176.7 | -164 | 168.1 | -174.5 | 159.1 | 0 | 113.8 | E333 E345 L386 E389 | E333-K337 WeakPolarHBondContact O-CA 3.22Å; E333-K337 WeakPolarHBondContact O-CB 3.47Å; E333-K337 PolarHBondContact O-N 2.92Å; K337-E345 WeakPolarHBondContact O-CB 3.46Å; K337-E345 WeakPolarHBondContact O-CG 2.97Å; K337-E345 VanDerWaalsContact O-OE2 3.04Å; K337-L386 HydrophobicContact CB-CD1 3.88Å; K337-L386 HydrophobicContact CB-CD2 3.67Å; K337-L386 HydrophobicContact CB-CG 4.29Å; K337-L386 HydrophobicContact CD-CD1 3.56Å; K337-L386 HydrophobicContact CG-CD1 3.79Å; K337-E389 IonicContact NZ-OE1 2.83Å; K337-E389 PolarHBondContact NZ-OE1 2.89Å |
| 338 | Y | 54.3 | Low | 70.4 | Confident | 113 Ų | 113 | 44.4 Ų | 44.4 | 44% | 0.443 | 22% | 0.219 | S | C | . | . | trans | -138.1 | 76.7 | -161.8 | -62.5 | -59.5 | 0 | 0 | 0 | 111.7 | E334 V340 | E334-Y338 CarbonylContact O-C 3.6Å; E334-Y338 WeakPolarHBondContact O-CA 3.13Å; E334-Y338 WeakPolarHBondContact O-CB 2.92Å; E334-Y338 PolarHBondContact O-N 3.07Å; Y338-V340 VanDerWaalsContact C-N 3.29Å; Y338-V340 WeakPolarHBondContact O-CG2 3.1Å; Y338-V340 PolarHBondContact O-N 3.16Å | ||
| 339 | K | 45.3 | Very low | 69.5 | Low | 5 Ų | 5 | 44.8 Ų | 44.8 | 2% | 0.022 | 22% | 0.221 | C | C | . | . | trans | -83.3 | 77.9 | 168.3 | -71.8 | -169.3 | 174.2 | -143.5 | 0 | 109.5 | L222 K317 D331 S335 L346 | L222-K339 HydrophobicContact CB-CD 3.8Å; L222-K339 HydrophobicContact CD2-CB 4.3Å; L222-K339 HydrophobicContact CD2-CD 3.58Å; L222-K339 HydrophobicContact CD2-CG 4.48Å; L222-K339 HydrophobicContact CG-CD 4.33Å; K317-K339 HydrophobicContact CB-CB 3.55Å; K317-K339 HydrophobicContact CB-CD 3.49Å; K317-K339 VanDerWaalsContact CB-CD 3.49Å; K317-K339 HydrophobicContact CB-CG 3.5Å; K317-K339 HydrophobicContact CD-CB 4.22Å; K317-K339 HydrophobicContact CG-CB 3.85Å; K317-K339 HydrophobicContact CG-CD 4.44Å; K317-K339 HydrophobicContact CG-CG 4.35Å; K317-K339 WeakPolarHBondContact O-CD 3.45Å; K317-K339 WeakPolarHBondContact O-CE 3.02Å; K317-K339 PolarHBondContact O-NZ 2.63Å; D331-K339 IonicContact OD1-NZ 3.41Å; S335-K339 WeakPolarHBondContact O-CD 3Å; S335-K339 WeakPolarHBondContact O-CE 3.14Å; S335-K339 WeakPolarHBondContact O-CG 3.33Å; K339-L346 HydrophobicContact CD-CB 4.03Å | ||
| 340 | V | 33.8 | Very low | 68.7 | Low | 72 Ų | 72 | 44.7 Ų | 44.7 | 44% | 0.436 | 22% | 0.22 | S | C | . | . | trans | -76.5 | 126.4 | -171.3 | -162.1 | 0 | 0 | 0 | 0 | 112.5 | K317 Y338 | K317-V340 WeakPolarHBondContact CD-O 3.17Å; K317-V340 WeakPolarHBondContact CE-O 3.19Å; K317-V340 PolarHBondContact NZ-O 3.21Å; Y338-V340 VanDerWaalsContact C-N 3.29Å; Y338-V340 WeakPolarHBondContact O-CG2 3.1Å; Y338-V340 PolarHBondContact O-N 3.16Å | ||
| 341 | E | 42.5 | Very low | 67.8 | Low | 122 Ų | 122 | 45 Ų | 45 | 57% | 0.57 | 22% | 0.222 | S | C | * | . | S | Bend | -155 | -36.8 | 104.3 | -125.1 | 165.8 | 179.2 | 0 | 0 | 111.1 | H314 | H314-E341 IonicContact CE1-OE1 3.57Å; H314-E341 IonicContact CE1-OE2 3.59Å; H314-E341 IonicContact CG-OE2 3.87Å; H314-E341 IonicContact ND1-OE1 3.67Å; H314-E341 IonicContact ND1-OE2 2.87Å; H314-E341 PolarHBondContact ND1-OE2 2.89Å | |
| 342 | D | 47.1 | Very low | 67.2 | Low | 162 Ų | 162 | 51.6 Ų | 51.6 | 87% | 0.866 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -126.8 | 90.7 | 169.3 | -76.1 | -49.1 | 0 | 0 | 0 | 110 | ||
| 343 | L | 36.8 | Very low | 66.8 | Low | 154 Ų | 154 | 54.1 Ų | 54.1 | 81% | 0.806 | 26% | 0.262 | S | S | * | . | S | Bend | trans | 23.9 | 96.8 | 172.4 | -74.8 | 167.4 | 0 | 0 | 0 | 115.4 | ||
| 344 | I | 45.7 | Very low | 66.8 | Low | 39 Ų | 39 | 54 Ų | 54 | 20% | 0.2 | 27% | 0.27 | C | S | . | . | trans | -176.8 | 110.2 | 135 | -89.1 | 146.1 | 0 | 0 | 0 | 108.4 | W349 K352 | I344-W349 HydrophobicContact CG2-CB 3.08Å; I344-W349 HydrophobicContact CG2-CG 3.66Å; I344-K352 HydrophobicContact CD1-CD 3.58Å; I344-K352 HydrophobicContact CG1-CD 3.6Å | ||
| 345 | E | 65.3 | Low | 67.2 | Low | 44 Ų | 44 | 50.8 Ų | 50.8 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | trans | -65.6 | 157.7 | 176.1 | -54 | 173 | -169.7 | 0 | 0 | 110.9 | K337 L347 L348 W349 | K337-E345 WeakPolarHBondContact O-CB 3.46Å; K337-E345 WeakPolarHBondContact O-CG 2.97Å; K337-E345 VanDerWaalsContact O-OE2 3.04Å; E345-L347 VanDerWaalsContact C-N 3.31Å; E345-L347 PolarHBondContact O-N 2.91Å; E345-L348 HydrophobicContact CB-CB 3.76Å; E345-L348 HydrophobicContact CB-CD1 4.14Å; E345-L348 HydrophobicContact CB-CG 3.85Å; E345-L348 VanDerWaalsContact CD-CG 3.48Å; E345-L348 HydrophobicContact CG-CB 4.18Å; E345-L348 HydrophobicContact CG-CD1 3.63Å; E345-L348 HydrophobicContact CG-CG 3.91Å; E345-L348 CarbonylContact O-C 3.51Å; E345-L348 PolarHBondContact O-N 3.41Å; E345-L348 WeakPolarHBondContact OE1-CD1 2.82Å; E345-L348 WeakPolarHBondContact OE2-CD1 3.36Å; E345-L348 WeakPolarHBondContact OE2-CG 3.09Å; E345-W349 VanDerWaalsContact O-CA 3.3Å; E345-W349 WeakPolarHBondContact O-CA 3.07Å; E345-W349 WeakPolarHBondContact O-CB 3.34Å; E345-W349 PolarHBondContact O-N 2.88Å | ||
| 346 | L | 72.1 | Confident | 67.8 | Low | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 177.5 | 179.1 | 56 | 0 | 0 | 0 | 112.1 | L222 I237 L258 K339 W349 L350 | L222-L346 HydrophobicContact CD1-CD1 3.76Å; L222-L346 HydrophobicContact CD2-CD1 4.42Å; I237-L346 HydrophobicContact CD1-CD1 3.88Å; I237-L346 HydrophobicContact CD1-CD2 4.1Å; I237-L346 HydrophobicContact CG2-CD1 4.19Å; L258-L346 HydrophobicContact CD2-CD2 3.3Å; L258-L346 HydrophobicContact CD2-CG 4.07Å; K339-L346 HydrophobicContact CD-CB 4.03Å; L346-W349 HydrophobicContact CD1-CE3 4.14Å; L346-W349 WeakPolarHBondContact O-CB 3.38Å; L346-L350 PolarHBondContact O-N 2.64Å |
| 347 | L | 71.3 | Confident | 68.5 | Low | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -72.4 | -40.8 | 176.3 | -64.8 | 174.1 | 0 | 0 | 0 | 111.6 | L258 I336 E345 W349 L350 M351 A358 V390 L391 | L258-L347 HydrophobicContact CD1-CD2 4.19Å; I336-L347 HydrophobicContact CG2-CD1 3.84Å; I336-L347 HydrophobicContact CG2-CG 4.34Å; E345-L347 VanDerWaalsContact C-N 3.31Å; E345-L347 PolarHBondContact O-N 2.91Å; L347-W349 VanDerWaalsContact C-N 3.29Å; L347-W349 PolarHBondContact O-N 3Å; L347-L350 HydrophobicContact CD2-CD2 3.75Å; L347-L350 WeakPolarHBondContact O-CG 3.37Å; L347-L350 PolarHBondContact O-N 3.06Å; L347-M351 WeakPolarHBondContact O-CB 3.35Å; L347-M351 WeakPolarHBondContact O-CG 3.44Å; L347-M351 PolarHBondContact O-N 2.84Å; L347-A358 HydrophobicContact CD2-CB 4.03Å; L347-V390 HydrophobicContact CB-CB 4.15Å; L347-V390 HydrophobicContact CB-CG1 3.56Å; L347-V390 HydrophobicContact CD1-CB 3.72Å; L347-V390 HydrophobicContact CD1-CG1 4.11Å; L347-V390 HydrophobicContact CD1-CG2 3.88Å; L347-V390 HydrophobicContact CG-CG1 4.47Å; L347-L391 HydrophobicContact CD2-CD1 4.3Å; L347-L391 HydrophobicContact CD2-CD2 4.29Å; L347-L391 HydrophobicContact CD2-CG 4.26Å |
| 348 | L | 71 | Confident | 69.7 | Low | 54 Ų | 54 | 48.5 Ų | 48.5 | 28% | 0.283 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.5 | -28 | 173.1 | -64.5 | -176.7 | 0 | 0 | 0 | 113.4 | E345 M351 K352 V390 | E345-L348 HydrophobicContact CB-CB 3.76Å; E345-L348 HydrophobicContact CB-CD1 4.14Å; E345-L348 HydrophobicContact CB-CG 3.85Å; E345-L348 VanDerWaalsContact CD-CG 3.48Å; E345-L348 HydrophobicContact CG-CB 4.18Å; E345-L348 HydrophobicContact CG-CD1 3.63Å; E345-L348 HydrophobicContact CG-CG 3.91Å; E345-L348 CarbonylContact O-C 3.51Å; E345-L348 PolarHBondContact O-N 3.41Å; E345-L348 WeakPolarHBondContact OE1-CD1 2.82Å; E345-L348 WeakPolarHBondContact OE2-CD1 3.36Å; E345-L348 WeakPolarHBondContact OE2-CG 3.09Å; L348-M351 HydrophobicContact CD2-CE 4.48Å; L348-M351 HydrophobicContact CD2-SD 3.98Å; L348-M351 PolarHBondContact O-N 2.61Å; L348-K352 WeakPolarHBondContact O-CB 3.41Å; L348-K352 PolarHBondContact O-N 2.75Å; L348-V390 HydrophobicContact CD2-CG1 4.43Å |
| 349 | W | 79.7 | Confident | 71.8 | Confident | 8 Ų | 8 | 43.1 Ų | 43.1 | 3% | 0.03 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -53.5 | 174.9 | 175 | 72.2 | 0 | 0 | 0 | 107.8 | L222 I237 A238 A241 I256 I344 E345 L346 L347 M351 K352 E353 Y355 | L222-W349 HydrophobicContact CD1-CD2 3.96Å; L222-W349 HydrophobicContact CD1-CE3 4Å; L222-W349 HydrophobicContact CD1-CG 4.39Å; L222-W349 HydrophobicContact CD1-CZ3 4.37Å; I237-W349 HydrophobicContact CG2-CH2 4.17Å; I237-W349 HydrophobicContact CG2-CZ3 3.78Å; A238-W349 VanDerWaalsContact CA-CZ2 3.43Å; A238-W349 HydrophobicContact CB-CH2 4.16Å; A238-W349 HydrophobicContact CB-CZ2 3.55Å; A241-W349 HydrophobicContact CB-CH2 3.87Å; I256-W349 HydrophobicContact CD1-CH2 4.49Å; I256-W349 HydrophobicContact CD1-CZ3 4.09Å; I256-W349 HydrophobicContact CG1-CZ3 4.19Å; I344-W349 HydrophobicContact CG2-CB 3.08Å; I344-W349 HydrophobicContact CG2-CG 3.66Å; E345-W349 VanDerWaalsContact O-CA 3.3Å; E345-W349 WeakPolarHBondContact O-CA 3.07Å; E345-W349 WeakPolarHBondContact O-CB 3.34Å; E345-W349 PolarHBondContact O-N 2.88Å; L346-W349 HydrophobicContact CD1-CE3 4.14Å; L346-W349 WeakPolarHBondContact O-CB 3.38Å; L347-W349 VanDerWaalsContact C-N 3.29Å; L347-W349 PolarHBondContact O-N 3Å; W349-M351 PolarHBondContact O-N 2.86Å; W349-K352 PolarHBondContact O-N 2.76Å; W349-E353 HydrophobicContact CD2-CG 4.46Å; W349-E353 HydrophobicContact CG-CG 4.46Å; W349-E353 HydrophobicContact CZ2-CG 4.39Å; W349-E353 VanDerWaalsContact O-CB 3.28Å; W349-E353 WeakPolarHBondContact O-CB 3.49Å; W349-E353 WeakPolarHBondContact O-CG 3.13Å; W349-E353 PolarHBondContact O-N 2.96Å; W349-Y355 HydrophobicContact CE3-CE2 4.43Å; W349-Y355 HydrophobicContact CH2-CD2 4.02Å; W349-Y355 AromaticContact CH2-CE2 3.3Å; W349-Y355 HydrophobicContact CH2-CE2 3.3Å; W349-Y355 AromaticContact CH2-CZ 3.91Å; W349-Y355 HydrophobicContact CZ2-CD2 4.49Å; W349-Y355 AromaticContact CZ2-CE2 3.53Å; W349-Y355 HydrophobicContact CZ2-CE2 3.53Å; W349-Y355 HydrophobicContact CZ3-CD2 4.05Å; W349-Y355 AromaticContact CZ3-CE2 3.8Å; W349-Y355 HydrophobicContact CZ3-CE2 3.8Å |
| 350 | L | 81.9 | Confident | 74.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -37.3 | -176.4 | 79 | 80.8 | 0 | 0 | 0 | 110.4 | Y19 I256 L346 L347 G354 Y355 A358 L391 | Y19-L350 HydrophobicContact CD1-CD1 4.27Å; Y19-L350 HydrophobicContact CE1-CD1 4.33Å; I256-L350 HydrophobicContact CB-CD2 4.16Å; I256-L350 HydrophobicContact CG1-CB 4.07Å; I256-L350 HydrophobicContact CG1-CD2 4.23Å; L346-L350 PolarHBondContact O-N 2.64Å; L347-L350 HydrophobicContact CD2-CD2 3.75Å; L347-L350 WeakPolarHBondContact O-CG 3.37Å; L347-L350 PolarHBondContact O-N 3.06Å; L350-G354 PolarHBondContact O-N 2.87Å; L350-G354 VanDerWaalsContact O-N 3.08Å; L350-Y355 HydrophobicContact CB-CD2 4.1Å; L350-Y355 PolarHBondContact O-N 3.32Å; L350-A358 HydrophobicContact CD2-CB 3.97Å; L350-L391 HydrophobicContact CD1-CD2 4.11Å |
| 351 | M | 77.6 | Confident | 77.4 | Confident | 9 Ų | 9 | 41.3 Ų | 41.3 | 4% | 0.044 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.5 | -46.3 | 178.5 | -65.7 | 164.4 | 73.9 | 0 | 0 | 112.8 | Y19 L347 L348 W349 E353 G354 V390 L391 S394 L399 | Y19-M351 HydrophobicContact CD1-CG 4.38Å; Y19-M351 HydrophobicContact CD2-CE 4.43Å; Y19-M351 HydrophobicContact CE1-CB 4.21Å; Y19-M351 HydrophobicContact CE1-CG 3.74Å; Y19-M351 HydrophobicContact CE2-CE 3.7Å; Y19-M351 HydrophobicContact CE2-CG 3.92Å; Y19-M351 VanDerWaalsContact CZ-CG 3.48Å; Y19-M351 WeakPolarHBondContact OH-CA 2.99Å; Y19-M351 WeakPolarHBondContact OH-CB 3.3Å; L347-M351 WeakPolarHBondContact O-CB 3.35Å; L347-M351 WeakPolarHBondContact O-CG 3.44Å; L347-M351 PolarHBondContact O-N 2.84Å; L348-M351 HydrophobicContact CD2-CE 4.48Å; L348-M351 HydrophobicContact CD2-SD 3.98Å; L348-M351 PolarHBondContact O-N 2.61Å; W349-M351 PolarHBondContact O-N 2.86Å; M351-E353 VanDerWaalsContact C-N 3.32Å; M351-E353 PolarHBondContact O-N 3.14Å; M351-G354 PolarHBondContact O-N 3.19Å; M351-G354 VanDerWaalsContact O-N 3.09Å; M351-V390 HydrophobicContact SD-CG1 3.82Å; M351-L391 HydrophobicContact CG-CD2 3.9Å; M351-L391 HydrophobicContact SD-CD2 3.84Å; M351-S394 WeakPolarHBondContact CE-OG 3.47Å; M351-L399 HydrophobicContact CB-CD1 4.25Å; M351-L399 HydrophobicContact CE-CD1 3.49Å; M351-L399 VanDerWaalsContact CE-CD1 3.49Å |
| 352 | K | 82.5 | Confident | 80.1 | Confident | 140 Ų | 140 | 35.5 Ų | 35.5 | 61% | 0.609 | 18% | 0.182 | S | C | * | . | H | α-helix | trans | -61.8 | -41.7 | 177.1 | 179.8 | -174.2 | 177.9 | 178.6 | 0 | 111.2 | I344 L348 W349 G354 | I344-K352 HydrophobicContact CD1-CD 3.58Å; I344-K352 HydrophobicContact CG1-CD 3.6Å; L348-K352 WeakPolarHBondContact O-CB 3.41Å; L348-K352 PolarHBondContact O-N 2.75Å; W349-K352 PolarHBondContact O-N 2.76Å; K352-G354 PolarHBondContact O-N 3.3Å |
| 353 | E | 86.5 | Confident | 82.5 | Confident | 63 Ų | 63 | 27.8 Ų | 27.8 | 29% | 0.294 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -73.7 | -14.8 | 177.4 | -72.1 | -58.5 | 139.9 | 0 | 0 | 112.6 | K251 W349 M351 Y355 | K251-E353 WeakPolarHBondContact CD-O 3.18Å; K251-E353 WeakPolarHBondContact CE-O 3.21Å; K251-E353 PolarHBondContact NZ-O 2.89Å; K251-E353 IonicContact NZ-OE2 2.7Å; K251-E353 PolarHBondContact NZ-OE2 3.09Å; W349-E353 HydrophobicContact CD2-CG 4.46Å; W349-E353 HydrophobicContact CG-CG 4.46Å; W349-E353 HydrophobicContact CZ2-CG 4.39Å; W349-E353 VanDerWaalsContact O-CB 3.28Å; W349-E353 WeakPolarHBondContact O-CB 3.49Å; W349-E353 WeakPolarHBondContact O-CG 3.13Å; W349-E353 PolarHBondContact O-N 2.96Å; M351-E353 VanDerWaalsContact C-N 3.32Å; M351-E353 PolarHBondContact O-N 3.14Å; E353-Y355 HydrophobicContact CB-CD2 3.6Å; E353-Y355 HydrophobicContact CB-CE2 3.38Å; E353-Y355 HydrophobicContact CG-CE2 4.05Å |
| 354 | G | 90.1 | Very high | 85.4 | Confident | 33 Ų | 33 | 20.5 Ų | 20.5 | 34% | 0.34 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 24.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K251 L350 M351 K352 | K251-G354 WeakPolarHBondContact CB-O 3.39Å; L350-G354 PolarHBondContact O-N 2.87Å; L350-G354 VanDerWaalsContact O-N 3.08Å; M351-G354 PolarHBondContact O-N 3.19Å; M351-G354 VanDerWaalsContact O-N 3.09Å; K352-G354 PolarHBondContact O-N 3.3Å |
| 355 | Y | 94.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -73.1 | 161.3 | 174.5 | -63.5 | -69.5 | 0 | 0 | 0 | 112.6 | Y19 A241 I242 K251 I254 W349 L350 E353 G357 | Y19-Y355 WeakPolarHBondContact CE1-O 3.48Å; A241-Y355 HydrophobicContact CB-CE1 3.7Å; A241-Y355 HydrophobicContact CB-CE2 4.23Å; A241-Y355 WeakPolarHBondContact CB-OH 3.35Å; I242-Y355 PolarHBondContact N-OH 2.72Å; K251-Y355 HydrophobicContact CB-CD1 3.93Å; K251-Y355 HydrophobicContact CB-CE1 4.33Å; K251-Y355 HydrophobicContact CD-CD1 4.42Å; K251-Y355 HydrophobicContact CD-CE1 4.22Å; K251-Y355 HydrophobicContact CG-CD1 4.11Å; K251-Y355 HydrophobicContact CG-CE1 3.99Å; K251-Y355 CarbonylContact O-C 3.59Å; K251-Y355 VanDerWaalsContact O-CA 3.29Å; K251-Y355 WeakPolarHBondContact O-CA 2.93Å; I254-Y355 HydrophobicContact CB-CD1 3.88Å; I254-Y355 HydrophobicContact CB-CE1 4.47Å; I254-Y355 HydrophobicContact CD1-CD1 4.25Å; I254-Y355 HydrophobicContact CD1-CE1 4.07Å; I254-Y355 HydrophobicContact CG1-CD1 4.45Å; I254-Y355 HydrophobicContact CG2-CD1 4.12Å; I254-Y355 HydrophobicContact CG2-CE1 4.46Å; W349-Y355 HydrophobicContact CE3-CE2 4.43Å; W349-Y355 HydrophobicContact CH2-CD2 4.02Å; W349-Y355 AromaticContact CH2-CE2 3.3Å; W349-Y355 HydrophobicContact CH2-CE2 3.3Å; W349-Y355 AromaticContact CH2-CZ 3.91Å; W349-Y355 HydrophobicContact CZ2-CD2 4.49Å; W349-Y355 AromaticContact CZ2-CE2 3.53Å; W349-Y355 HydrophobicContact CZ2-CE2 3.53Å; W349-Y355 HydrophobicContact CZ3-CD2 4.05Å; W349-Y355 AromaticContact CZ3-CE2 3.8Å; W349-Y355 HydrophobicContact CZ3-CE2 3.8Å; L350-Y355 HydrophobicContact CB-CD2 4.1Å; L350-Y355 PolarHBondContact O-N 3.32Å; E353-Y355 HydrophobicContact CB-CD2 3.6Å; E353-Y355 HydrophobicContact CB-CE2 3.38Å; E353-Y355 HydrophobicContact CG-CE2 4.05Å; Y355-G357 VanDerWaalsContact C-N 3.34Å; Y355-G357 PolarHBondContact O-N 3.12Å | ||
| 356 | G | 94.7 | Very high | 89.4 | Confident | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | trans | -70.7 | -23.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y19 V20 K251 E252 I254 R396 | Y19-G356 WeakPolarHBondContact CA-O 3.39Å; V20-G356 PolarHBondContact N-O 2.88Å; K251-G356 PolarHBondContact O-N 2.78Å; E252-G356 WeakPolarHBondContact O-CA 3.39Å; I254-G356 PolarHBondContact O-N 2.94Å; G356-R396 VanDerWaalsContact CA-NH2 3.34Å; G356-R396 PolarHBondContact O-NH2 2.7Å | ||
| 357 | G | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 149.8 | -156.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V20 I256 Y355 | V20-G357 CarbonylContact O-C 3.56Å; V20-G357 VanDerWaalsContact O-CA 3.31Å; V20-G357 WeakPolarHBondContact O-CA 3.19Å; I256-G357 PolarHBondContact N-O 3.14Å; Y355-G357 VanDerWaalsContact C-N 3.34Å; Y355-G357 PolarHBondContact O-N 3.12Å |
| 358 | A | 96.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 157 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V20 R21 G22 I256 L258 L347 L350 M387 L391 | V20-A358 PolarHBondContact O-N 2.72Å; V20-A358 VanDerWaalsContact O-O 3.07Å; R21-A358 WeakPolarHBondContact CA-O 3.22Å; G22-A358 PolarHBondContact N-O 3.31Å; I256-A358 CarbonylContact O-C 3.55Å; I256-A358 WeakPolarHBondContact O-CA 3.25Å; I256-A358 WeakPolarHBondContact O-CB 3.43Å; L258-A358 HydrophobicContact CD1-CB 3.92Å; L258-A358 HydrophobicContact CG-CB 4.17Å; L347-A358 HydrophobicContact CD2-CB 4.03Å; L350-A358 HydrophobicContact CD2-CB 3.97Å; A358-M387 HydrophobicContact CB-CG 4.13Å; A358-M387 HydrophobicContact CB-SD 3.77Å; A358-L391 HydrophobicContact CB-CD1 3.9Å |
| 359 | F | 98 | Very high | 93.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 158.5 | 169 | 77.4 | -86.2 | 0 | 0 | 0 | 111.1 | G22 Y24 N202 L203 M204 Y206 I255 I256 G257 L258 | G22-F359 CarbonylContact O-C 3.45Å; G22-F359 WeakPolarHBondContact O-CA 3.27Å; G22-F359 WeakPolarHBondContact O-CB 3.24Å; Y24-F359 AromaticContact CD2-CD2 3.65Å; Y24-F359 HydrophobicContact CD2-CD2 3.65Å; Y24-F359 AromaticContact CD2-CE2 3.95Å; Y24-F359 HydrophobicContact CD2-CE2 3.95Å; Y24-F359 AromaticContact CE2-CD2 3.52Å; Y24-F359 HydrophobicContact CE2-CD2 3.52Å; Y24-F359 AromaticContact CE2-CE2 3.62Å; Y24-F359 HydrophobicContact CE2-CE2 3.62Å; Y24-F359 HydrophobicContact CE2-CG 4.39Å; N202-F359 VanDerWaalsContact CA-CE1 3.5Å; N202-F359 HydrophobicContact CB-CD1 3.71Å; N202-F359 HydrophobicContact CB-CE1 3.42Å; N202-F359 VanDerWaalsContact CB-CE1 3.42Å; N202-F359 HydrophobicContact CB-CE2 4.31Å; N202-F359 HydrophobicContact CB-CG 4.28Å; N202-F359 HydrophobicContact CB-CZ 3.75Å; L203-F359 VanDerWaalsContact O-CE1 3.29Å; L203-F359 WeakPolarHBondContact O-CE1 3.46Å; L203-F359 WeakPolarHBondContact O-CZ 3.42Å; M204-F359 HydrophobicContact CG-CZ 4.42Å; Y206-F359 HydrophobicContact CE1-CE2 4.08Å; Y206-F359 HydrophobicContact CE1-CZ 4.09Å; I255-F359 HydrophobicContact CB-CD1 4.35Å; I255-F359 HydrophobicContact CG2-CB 4.15Å; I255-F359 HydrophobicContact CG2-CD1 3.97Å; I255-F359 WeakPolarHBondContact O-CE1 3.5Å; I256-F359 PolarHBondContact O-N 3.1Å; G257-F359 VanDerWaalsContact CA-CZ 3.41Å; G257-F359 VanDerWaalsContact N-CE1 3.31Å; L258-F359 PolarHBondContact N-O 3.48Å |
| 360 | V | 98.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.5 | 175.5 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | G22 C23 Y24 L258 T260 V384 M387 | G22-V360 PolarHBondContact O-N 2.94Å; C23-V360 HydrophobicContact CB-CG2 3.99Å; C23-V360 VanDerWaalsContact SG-CG2 3.55Å; Y24-V360 PolarHBondContact N-O 2.74Å; Y24-V360 VanDerWaalsContact N-O 3.11Å; L258-V360 HydrophobicContact CB-CG1 4.17Å; L258-V360 HydrophobicContact CD1-CG1 4.45Å; L258-V360 WeakPolarHBondContact O-CA 3.38Å; T260-V360 HydrophobicContact CG2-CB 4.11Å; T260-V360 HydrophobicContact CG2-CG1 4.21Å; V360-V384 HydrophobicContact CB-CG2 4.48Å; V360-V384 HydrophobicContact CG1-CG2 4.17Å; V360-V384 HydrophobicContact CG2-CG1 4.41Å; V360-V384 HydrophobicContact CG2-CG2 3.93Å; V360-M387 HydrophobicContact CG1-CE 4.21Å; V360-M387 HydrophobicContact CG1-SD 4.05Å |
| 361 | W | 98.5 | Very high | 94.5 | Very high | 39 Ų | 39 | 22.2 Ų | 22.2 | 15% | 0.148 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 100.7 | 160 | -176.4 | -91 | 0 | 0 | 0 | 107.6 | Y24 T26 W28 A54 F55 Y206 L258 T260 Y261 | Y24-W361 AromaticContact CD1-CE3 3.77Å; Y24-W361 HydrophobicContact CD1-CE3 3.77Å; Y24-W361 AromaticContact CD1-CZ3 3.5Å; Y24-W361 HydrophobicContact CD1-CZ3 3.5Å; Y24-W361 VanDerWaalsContact CD1-CZ3 3.5Å; Y24-W361 AromaticContact CD2-CE3 3.89Å; Y24-W361 HydrophobicContact CD2-CE3 3.89Å; Y24-W361 HydrophobicContact CD2-CZ3 4.46Å; Y24-W361 HydrophobicContact CE1-CE3 4.42Å; Y24-W361 HydrophobicContact CE1-CZ3 4.13Å; Y24-W361 AromaticContact CG-CE3 3.47Å; Y24-W361 HydrophobicContact CG-CE3 3.47Å; Y24-W361 VanDerWaalsContact CG-CE3 3.47Å; Y24-W361 AromaticContact CG-CZ3 3.69Å; Y24-W361 HydrophobicContact CG-CZ3 3.69Å; T26-W361 HydrophobicContact CG2-CH2 4.36Å; W28-W361 AromaticContact CH2-CH2 3.98Å; W28-W361 HydrophobicContact CH2-CH2 3.98Å; W28-W361 HydrophobicContact CH2-CZ2 4.18Å; W28-W361 HydrophobicContact CZ2-CZ2 4.32Å; A54-W361 HydrophobicContact CB-CH2 4.31Å; A54-W361 HydrophobicContact CB-CZ3 4.27Å; F55-W361 AromaticContact CE2-CH2 3.8Å; F55-W361 HydrophobicContact CE2-CH2 3.8Å; F55-W361 AromaticContact CZ-CH2 3.62Å; F55-W361 HydrophobicContact CZ-CH2 3.62Å; F55-W361 AromaticContact CZ-CZ3 3.97Å; F55-W361 HydrophobicContact CZ-CZ3 3.97Å; Y206-W361 HydrophobicContact CE1-CB 3.7Å; Y206-W361 HydrophobicContact CE1-CG 4.48Å; Y206-W361 HydrophobicContact CE2-CB 4.43Å; Y206-W361 HydrophobicContact CE2-CG 4.37Å; Y206-W361 AromaticContact CZ-CG 3.94Å; Y206-W361 WeakPolarHBondContact OH-CB 3.49Å; L258-W361 PolarHBondContact O-N 3.05Å; T260-W361 PolarHBondContact N-O 2.82Å; T260-W361 PolarHBondContact OG1-O 3.36Å; Y261-W361 WeakPolarHBondContact CD1-O 3.11Å; Y261-W361 AromaticContact CE1-CD1 3.61Å |
| 362 | T | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | cis | -139.2 | 171.3 | 0.7 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | T26 T260 D364 Y365 | T26-T362 HydrophobicContact CG2-CG2 3.64Å; T260-T362 PolarHBondContact OG1-N 2.79Å; T260-T362 PolarHBondContact OG1-O 3.2Å; T362-D364 VanDerWaalsContact CB-OD1 3.24Å; T362-D364 WeakPolarHBondContact CB-OD1 3.48Å; T362-D364 PolarHBondContact O-N 2.87Å; T362-D364 PolarHBondContact OG1-OD1 2.89Å; T362-D364 PolarHBondContact OG1-OD2 2.81Å; T362-D364 VanDerWaalsContact OG1-OD2 3.07Å; T362-Y365 PolarHBondContact O-N 2.96Å | ||
| 363 | L | 98.5 | Very high | 96 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -56 | -40.2 | 177 | -74.9 | 167.9 | 0 | 0 | 0 | 113.1 | C23 Y24 F25 Y38 Y43 Y365 D366 Y381 V384 | C23-L363 HydrophobicContact CB-CD1 3.96Å; C23-L363 HydrophobicContact CB-CD2 3.83Å; C23-L363 HydrophobicContact CB-CG 3.81Å; Y24-L363 WeakPolarHBondContact O-CG 3.22Å; Y24-L363 PolarHBondContact O-N 2.84Å; F25-L363 HydrophobicContact CB-CD1 4.27Å; Y38-L363 HydrophobicContact CE1-CB 4.14Å; Y38-L363 WeakPolarHBondContact OH-CB 3.44Å; Y43-L363 HydrophobicContact CD2-CD1 3.93Å; Y43-L363 HydrophobicContact CD2-CD2 4.22Å; Y43-L363 HydrophobicContact CE2-CD1 4.05Å; Y43-L363 HydrophobicContact CE2-CD2 4.06Å; L363-Y365 VanDerWaalsContact C-N 3.29Å; L363-Y365 PolarHBondContact O-N 2.94Å; L363-D366 PolarHBondContact O-N 2.82Å; L363-Y381 HydrophobicContact CB-CE1 4.2Å; L363-Y381 HydrophobicContact CD2-CD1 4.28Å; L363-Y381 HydrophobicContact CD2-CE1 4.02Å; L363-Y381 WeakPolarHBondContact O-CE1 3.43Å; L363-V384 HydrophobicContact CD2-CG1 4.37Å; L363-V384 HydrophobicContact CD2-CG2 4.29Å |
| 364 | D | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -80.8 | -4.4 | -171.9 | 57.2 | -89.6 | 0 | 0 | 0 | 114.4 | T26 A29 R32 Y38 Y298 T362 F368 | T26-D364 PolarHBondContact OG1-OD1 3.4Å; T26-D364 PolarHBondContact OG1-OD2 3.39Å; A29-D364 HydrophobicContact CB-CB 3.83Å; R32-D364 IonicContact CZ-OD2 3.61Å; R32-D364 PolarHBondContact NH1-O 3Å; R32-D364 VanDerWaalsContact NH1-O 3.1Å; R32-D364 IonicContact NH1-OD2 2.65Å; R32-D364 PolarHBondContact NH1-OD2 2.7Å; R32-D364 IonicContact NH2-OD2 3.83Å; R32-D364 PolarHBondContact NH2-OD2 3.43Å; Y38-D364 HydrophobicContact CD1-CB 3.56Å; Y38-D364 HydrophobicContact CD2-CB 4.04Å; Y38-D364 HydrophobicContact CE1-CB 4.1Å; Y38-D364 HydrophobicContact CG-CB 3.51Å; Y298-D364 WeakPolarHBondContact CE1-O 3.49Å; T362-D364 VanDerWaalsContact CB-OD1 3.24Å; T362-D364 WeakPolarHBondContact CB-OD1 3.48Å; T362-D364 PolarHBondContact O-N 2.87Å; T362-D364 PolarHBondContact OG1-OD1 2.89Å; T362-D364 PolarHBondContact OG1-OD2 2.81Å; T362-D364 VanDerWaalsContact OG1-OD2 3.07Å; D364-F368 WeakPolarHBondContact O-CE1 3.3Å |
| 365 | Y | 97.9 | Very high | 96.4 | Very high | 17 Ų | 17 | 24.5 Ų | 24.5 | 7% | 0.067 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -97.4 | -17.2 | 172 | -68 | -23.2 | 0 | 0 | 0 | 113.7 | T260 Y261 L289 A296 Y297 Y298 T362 L363 | T260-Y365 CarbonylContact O-C 3.58Å; T260-Y365 WeakPolarHBondContact O-CB 3.26Å; T260-Y365 WeakPolarHBondContact OG1-CB 3.39Å; Y261-Y365 VanDerWaalsContact CB-CD2 3.48Å; Y261-Y365 AromaticContact CD1-CD2 3.9Å; Y261-Y365 HydrophobicContact CD1-CD2 3.9Å; Y261-Y365 HydrophobicContact CD1-CE2 4.15Å; Y261-Y365 AromaticContact CG-CD2 3.88Å; Y261-Y365 HydrophobicContact CG-CD2 3.88Å; Y261-Y365 AromaticContact CG-CE2 3.99Å; Y261-Y365 HydrophobicContact CG-CE2 3.99Å; L289-Y365 HydrophobicContact CD1-CD1 4.13Å; L289-Y365 HydrophobicContact CD1-CE1 3.63Å; L289-Y365 HydrophobicContact CD2-CD1 3.78Å; L289-Y365 HydrophobicContact CD2-CE1 3.37Å; L289-Y365 HydrophobicContact CG-CE1 4.15Å; A296-Y365 HydrophobicContact CB-CD1 3.99Å; A296-Y365 HydrophobicContact CB-CG 4.31Å; Y297-Y365 WeakPolarHBondContact CB-O 3.43Å; Y297-Y365 PolarHBondContact N-O 3Å; Y298-Y365 VanDerWaalsContact CD1-O 3.32Å; Y298-Y365 WeakPolarHBondContact CD1-O 3.42Å; T362-Y365 PolarHBondContact O-N 2.96Å; L363-Y365 VanDerWaalsContact C-N 3.29Å; L363-Y365 PolarHBondContact O-N 2.94Å |
| 366 | D | 97.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -73.6 | 167 | 171.3 | -159.1 | -5.6 | 0 | 0 | 0 | 110.7 | T260 Y297 Y298 L363 F368 Y381 P382 L383 V384 | T260-D366 HydrophobicContact CG2-CB 4.18Å; Y297-D366 WeakPolarHBondContact CD1-OD1 3.27Å; Y298-D366 WeakPolarHBondContact CD1-O 3.49Å; L363-D366 PolarHBondContact O-N 2.82Å; D366-F368 VanDerWaalsContact O-CD1 3.23Å; D366-F368 WeakPolarHBondContact O-CD1 3.23Å; D366-F368 PolarHBondContact O-N 2.83Å; D366-Y381 HydrophobicContact CB-CD1 4.16Å; D366-Y381 WeakPolarHBondContact OD2-CA 3.22Å; D366-P382 WeakPolarHBondContact OD1-CD 3.09Å; D366-P382 WeakPolarHBondContact OD1-CG 3.47Å; D366-L383 WeakPolarHBondContact OD2-CA 3.36Å; D366-L383 WeakPolarHBondContact OD2-CB 3.31Å; D366-L383 PolarHBondContact OD2-N 2.93Å; D366-V384 HydrophobicContact CB-CG2 4.27Å; D366-V384 WeakPolarHBondContact OD2-CG2 3.33Å; D366-V384 PolarHBondContact OD2-N 2.9Å |
| 367 | D | 97.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | trans | -74.2 | 68.1 | 174.8 | -172.7 | 13.1 | 0 | 0 | 0 | 111.1 | K369 G370 T371 A372 C373 K380 Y381 P382 | D367-K369 PolarHBondContact O-N 3.21Å; D367-G370 PolarHBondContact O-N 2.82Å; D367-G370 WeakPolarHBondContact OD1-CA 3.42Å; D367-G370 PolarHBondContact OD1-N 2.82Å; D367-T371 PolarHBondContact OD1-N 2.95Å; D367-T371 VanDerWaalsContact OD1-N 3.11Å; D367-T371 PolarHBondContact OD2-N 3.33Å; D367-A372 PolarHBondContact OD1-N 2.91Å; D367-A372 PolarHBondContact OD2-N 3.18Å; D367-C373 HydrophobicContact CB-CB 4.37Å; D367-C373 WeakPolarHBondContact OD2-CB 3.3Å; D367-C373 PolarHBondContact OD2-N 3.39Å; D367-K380 WeakPolarHBondContact O-CA 3.17Å; D367-Y381 PolarHBondContact O-N 3.47Å; D367-P382 HydrophobicContact CB-CG 4.11Å | ||
| 368 | F | 97.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -20.7 | -176.2 | 62.6 | -95.1 | 0 | 0 | 0 | 113.4 | E35 K37 Y38 D42 Y298 D364 D366 K380 Y381 | E35-F368 WeakPolarHBondContact O-CZ 3.16Å; K37-F368 WeakPolarHBondContact O-CE2 3.32Å; K37-F368 WeakPolarHBondContact O-CZ 3.45Å; Y38-F368 HydrophobicContact CD2-CB 4.28Å; Y38-F368 AromaticContact CD2-CD1 3.86Å; Y38-F368 HydrophobicContact CD2-CD1 3.86Å; Y38-F368 AromaticContact CD2-CD2 3.54Å; Y38-F368 HydrophobicContact CD2-CD2 3.54Å; Y38-F368 HydrophobicContact CD2-CE1 4.02Å; Y38-F368 AromaticContact CD2-CE2 3.66Å; Y38-F368 HydrophobicContact CD2-CE2 3.66Å; Y38-F368 AromaticContact CD2-CG 3.65Å; Y38-F368 HydrophobicContact CD2-CG 3.65Å; Y38-F368 AromaticContact CD2-CZ 3.92Å; Y38-F368 HydrophobicContact CD2-CZ 3.92Å; Y38-F368 HydrophobicContact CE2-CB 3.88Å; Y38-F368 HydrophobicContact CE2-CD1 4.24Å; Y38-F368 AromaticContact CE2-CD2 3.88Å; Y38-F368 HydrophobicContact CE2-CD2 3.88Å; Y38-F368 HydrophobicContact CE2-CE2 4.45Å; Y38-F368 AromaticContact CE2-CG 3.77Å; Y38-F368 HydrophobicContact CE2-CG 3.77Å; D42-F368 HydrophobicContact CB-CD2 4.05Å; Y298-F368 HydrophobicContact CE1-CE1 4.15Å; D364-F368 WeakPolarHBondContact O-CE1 3.3Å; D366-F368 VanDerWaalsContact O-CD1 3.23Å; D366-F368 WeakPolarHBondContact O-CD1 3.23Å; D366-F368 PolarHBondContact O-N 2.83Å; F368-K380 WeakPolarHBondContact O-CB 3.08Å; F368-K380 VanDerWaalsContact O-CD 3.26Å; F368-K380 WeakPolarHBondContact O-CD 3.22Å; F368-K380 VanDerWaalsContact O-CG 3.29Å; F368-K380 WeakPolarHBondContact O-CG 3.19Å; F368-Y381 HydrophobicContact CB-CD1 3.85Å; F368-Y381 HydrophobicContact CB-CD2 4.35Å; F368-Y381 HydrophobicContact CB-CE1 3.31Å; F368-Y381 HydrophobicContact CB-CE2 3.86Å; F368-Y381 HydrophobicContact CB-CG 4.35Å |
| 369 | K | 96 | Very high | 96.2 | Very high | 56 Ų | 56 | 41.7 Ų | 41.7 | 24% | 0.243 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -19.4 | 173.4 | -60.5 | -165.3 | 178.7 | -169 | 0 | 113 | E35 D367 T371 | E35-K369 HydrophobicContact CB-CD 4.5Å; E35-K369 WeakPolarHBondContact O-CE 3.3Å; E35-K369 PolarHBondContact O-NZ 3.36Å; E35-K369 WeakPolarHBondContact OE2-CD 3.36Å; E35-K369 WeakPolarHBondContact OE2-CE 3.49Å; E35-K369 IonicContact OE2-NZ 2.89Å; E35-K369 PolarHBondContact OE2-NZ 2.99Å; D367-K369 PolarHBondContact O-N 3.21Å; K369-T371 VanDerWaalsContact C-N 3.26Å; K369-T371 HydrophobicContact CB-CG2 4.26Å |
| 370 | G | 96.2 | Very high | 96.2 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | S | Bend | trans | 69.9 | 22.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D367 G378 K379 | D367-G370 PolarHBondContact O-N 2.82Å; D367-G370 WeakPolarHBondContact OD1-CA 3.42Å; D367-G370 PolarHBondContact OD1-N 2.82Å; G370-G378 VanDerWaalsContact O-CA 3.26Å; G370-G378 WeakPolarHBondContact O-CA 3.21Å; G370-K379 WeakPolarHBondContact CA-O 3.39Å |
| 371 | T | 95.6 | Very high | 96.1 | Very high | 93 Ų | 93 | 45.9 Ų | 45.9 | 57% | 0.571 | 23% | 0.229 | S | C | * | . | trans | -110.4 | -20.6 | -172.4 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | D367 K369 | D367-T371 PolarHBondContact OD1-N 2.95Å; D367-T371 VanDerWaalsContact OD1-N 3.11Å; D367-T371 PolarHBondContact OD2-N 3.33Å; K369-T371 VanDerWaalsContact C-N 3.26Å; K369-T371 HydrophobicContact CB-CG2 4.26Å | ||
| 372 | A | 95.4 | Very high | 96 | Very high | 12 Ų | 12 | 44.1 Ų | 44.1 | 10% | 0.099 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -88.6 | -46.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y298 C301 Q302 D367 K374 | Y298-A372 WeakPolarHBondContact O-CB 3.46Å; C301-A372 HydrophobicContact CB-CB 4.37Å; Q302-A372 HydrophobicContact CG-CB 4.19Å; D367-A372 PolarHBondContact OD1-N 2.91Å; D367-A372 PolarHBondContact OD2-N 3.18Å; A372-K374 PolarHBondContact O-N 2.77Å; A372-K374 VanDerWaalsContact O-N 3.15Å |
| 373 | C | 95.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | trans | -87.9 | 79.5 | -176.8 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | Y297 C301 D367 H375 N376 | Y297-C373 WeakPolarHBondContact CE1-SG 3.45Å; C301-C373 HydrophobicContact CB-CB 3.89Å; C301-C373 WeakPolarHBondContact CB-SG 3.4Å; C301-C373 VanDerWaalsContact SG-CA 3.58Å; C301-C373 WeakPolarHBondContact SG-CB 3.37Å; C301-C373 CovalentContact SG-SG 2.04Å; C301-C373 PolarHBondContact SG-SG 3.21Å; D367-C373 HydrophobicContact CB-CB 4.37Å; D367-C373 WeakPolarHBondContact OD2-CB 3.3Å; D367-C373 PolarHBondContact OD2-N 3.39Å; C373-H375 PolarHBondContact O-N 2.88Å; C373-H375 VanDerWaalsContact O-N 3.09Å; C373-N376 HydrophobicContact CB-CB 4.48Å; C373-N376 WeakPolarHBondContact CB-ND2 3.29Å; C373-N376 VanDerWaalsContact O-CB 3.32Å; C373-N376 WeakPolarHBondContact O-CB 3.5Å; C373-N376 PolarHBondContact O-N 3.03Å | ||
| 374 | K | 93.3 | Very high | 95.8 | Very high | 168 Ų | 168 | 44 Ų | 44 | 73% | 0.73 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -56.1 | -30.1 | -172.9 | -65.5 | -176.4 | -179.1 | 177.4 | 0 | 114.2 | A372 N376 K377 | A372-K374 PolarHBondContact O-N 2.77Å; A372-K374 VanDerWaalsContact O-N 3.15Å; K374-N376 PolarHBondContact O-N 2.84Å; K374-K377 PolarHBondContact O-N 2.97Å; K374-K377 VanDerWaalsContact O-N 3.1Å |
| 375 | H | 92.2 | Very high | 95.6 | Very high | 111 Ų | 111 | 45 Ų | 45 | 51% | 0.514 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -62.8 | -21.9 | 176.9 | 62.5 | -77.6 | 0 | 0 | 0 | 112.8 | E333 C373 K377 | E333-H375 IonicContact OE1-CD2 3.35Å; E333-H375 IonicContact OE1-CE1 2.84Å; E333-H375 IonicContact OE1-NE2 3.74Å; E333-H375 PolarHBondContact OE1-NE2 2.7Å; E333-H375 IonicContact OE2-NE2 3.73Å; C373-H375 PolarHBondContact O-N 2.88Å; C373-H375 VanDerWaalsContact O-N 3.09Å; H375-K377 VanDerWaalsContact C-N 3.32Å |
| 376 | N | 93.1 | Very high | 95.3 | Very high | 32 Ų | 32 | 44.5 Ų | 44.5 | 17% | 0.171 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -85 | 1.9 | 176.5 | -69.3 | -40.6 | 0 | 0 | 0 | 114.7 | E333 C373 K374 G378 K379 P382 | E333-N376 VanDerWaalsContact OE1-CG 3.3Å; E333-N376 PolarHBondContact OE1-ND2 3.37Å; E333-N376 PolarHBondContact OE1-OD1 2.91Å; E333-N376 VanDerWaalsContact OE1-OD1 3.12Å; C373-N376 HydrophobicContact CB-CB 4.48Å; C373-N376 WeakPolarHBondContact CB-ND2 3.29Å; C373-N376 VanDerWaalsContact O-CB 3.32Å; C373-N376 WeakPolarHBondContact O-CB 3.5Å; C373-N376 PolarHBondContact O-N 3.03Å; K374-N376 PolarHBondContact O-N 2.84Å; N376-G378 VanDerWaalsContact C-N 3.29Å; N376-G378 PolarHBondContact O-N 2.59Å; N376-G378 VanDerWaalsContact O-N 3.16Å; N376-K379 HydrophobicContact CB-CB 4.19Å; N376-K379 VanDerWaalsContact O-CB 3.26Å; N376-K379 WeakPolarHBondContact O-CB 3.33Å; N376-K379 PolarHBondContact O-N 3.45Å; N376-P382 HydrophobicContact CB-CB 4.43Å; N376-P382 WeakPolarHBondContact ND2-CB 3.38Å; N376-P382 WeakPolarHBondContact ND2-CG 3.49Å |
| 377 | K | 94.3 | Very high | 95.1 | Very high | 197 Ų | 197 | 44.5 Ų | 44.5 | 86% | 0.857 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 41 | 170.5 | -56.3 | 178.6 | -177.9 | 176.2 | 0 | 114.4 | K374 H375 | K374-K377 PolarHBondContact O-N 2.97Å; K374-K377 VanDerWaalsContact O-N 3.1Å; H375-K377 VanDerWaalsContact C-N 3.32Å |
| 378 | G | 95.1 | Very high | 94.8 | Very high | 51 Ų | 51 | 47.3 Ų | 47.3 | 53% | 0.526 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -1.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G370 N376 K380 | G370-G378 VanDerWaalsContact O-CA 3.26Å; G370-G378 WeakPolarHBondContact O-CA 3.21Å; N376-G378 VanDerWaalsContact C-N 3.29Å; N376-G378 PolarHBondContact O-N 2.59Å; N376-G378 VanDerWaalsContact O-N 3.16Å; G378-K380 PolarHBondContact O-N 2.84Å |
| 379 | K | 95.4 | Very high | 94.4 | Very high | 81 Ų | 81 | 51.4 Ų | 51.4 | 35% | 0.352 | 26% | 0.258 | S | S | . | . | trans | -65.5 | 122 | 176.6 | -176.9 | -176.5 | -178.2 | -174 | 0 | 109.8 | G370 N376 | G370-K379 WeakPolarHBondContact CA-O 3.39Å; N376-K379 HydrophobicContact CB-CB 4.19Å; N376-K379 VanDerWaalsContact O-CB 3.26Å; N376-K379 WeakPolarHBondContact O-CB 3.33Å; N376-K379 PolarHBondContact O-N 3.45Å | ||
| 380 | K | 97 | Very high | 94 | Very high | 89 Ų | 89 | 49.4 Ų | 49.4 | 39% | 0.387 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -75.2 | 146.3 | 171.9 | -62.7 | -175.1 | 166.3 | -162.1 | 0 | 110.8 | V44 D367 F368 G378 S385 | V44-K380 HydrophobicContact CG2-CB 4.37Å; V44-K380 HydrophobicContact CG2-CD 3.93Å; D367-K380 WeakPolarHBondContact O-CA 3.17Å; F368-K380 WeakPolarHBondContact O-CB 3.08Å; F368-K380 VanDerWaalsContact O-CD 3.26Å; F368-K380 WeakPolarHBondContact O-CD 3.22Å; F368-K380 VanDerWaalsContact O-CG 3.29Å; F368-K380 WeakPolarHBondContact O-CG 3.19Å; G378-K380 PolarHBondContact O-N 2.84Å; K380-S385 PolarHBondContact O-OG 2.97Å |
| 381 | Y | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | S | Bend | trans | 48.1 | 57.8 | 178.6 | -53.1 | -92.3 | 0 | 0 | 0 | 113.1 | Y38 D42 Y43 V44 L47 L363 D366 D367 F368 L383 V384 S385 | Y38-Y381 HydrophobicContact CE2-CE1 4.15Å; Y38-Y381 WeakPolarHBondContact CE2-OH 3.46Å; Y38-Y381 PolarHBondContact OH-OH 3.32Å; D42-Y381 VanDerWaalsContact C-OH 3.28Å; D42-Y381 PolarHBondContact O-OH 3.01Å; D42-Y381 VanDerWaalsContact O-OH 3.05Å; Y43-Y381 VanDerWaalsContact CA-OH 3.29Å; Y43-Y381 WeakPolarHBondContact CA-OH 3.47Å; Y43-Y381 PolarHBondContact N-OH 3.12Å; V44-Y381 HydrophobicContact CB-CD2 4.38Å; V44-Y381 HydrophobicContact CB-CE2 4.25Å; V44-Y381 HydrophobicContact CG2-CD2 4.12Å; V44-Y381 HydrophobicContact CG2-CE2 3.88Å; L47-Y381 HydrophobicContact CD1-CD1 4.19Å; L47-Y381 HydrophobicContact CD1-CD2 3.59Å; L47-Y381 HydrophobicContact CD1-CE2 4.01Å; L47-Y381 HydrophobicContact CD1-CG 3.68Å; L363-Y381 HydrophobicContact CB-CE1 4.2Å; L363-Y381 HydrophobicContact CD2-CD1 4.28Å; L363-Y381 HydrophobicContact CD2-CE1 4.02Å; L363-Y381 WeakPolarHBondContact O-CE1 3.43Å; D366-Y381 HydrophobicContact CB-CD1 4.16Å; D366-Y381 WeakPolarHBondContact OD2-CA 3.22Å; D367-Y381 PolarHBondContact O-N 3.47Å; F368-Y381 HydrophobicContact CB-CD1 3.85Å; F368-Y381 HydrophobicContact CB-CD2 4.35Å; F368-Y381 HydrophobicContact CB-CE1 3.31Å; F368-Y381 HydrophobicContact CB-CE2 3.86Å; F368-Y381 HydrophobicContact CB-CG 4.35Å; Y381-L383 PolarHBondContact O-N 2.9Å; Y381-V384 HydrophobicContact CD1-CG2 4.22Å; Y381-V384 PolarHBondContact O-N 2.76Å; Y381-S385 WeakPolarHBondContact O-CB 3.22Å; Y381-S385 PolarHBondContact O-N 3.13Å; Y381-S385 PolarHBondContact O-OG 2.67Å |
| 382 | P | 95.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.8 | -37.7 | -177.2 | 23.1 | -35.9 | 0 | 0 | 0 | 113.6 | Y297 D366 D367 N376 L386 | Y297-P382 HydrophobicContact CD1-CG 4.42Å; Y297-P382 HydrophobicContact CE1-CG 3.76Å; D366-P382 WeakPolarHBondContact OD1-CD 3.09Å; D366-P382 WeakPolarHBondContact OD1-CG 3.47Å; D367-P382 HydrophobicContact CB-CG 4.11Å; N376-P382 HydrophobicContact CB-CB 4.43Å; N376-P382 WeakPolarHBondContact ND2-CB 3.38Å; N376-P382 WeakPolarHBondContact ND2-CG 3.49Å; P382-L386 VanDerWaalsContact O-CB 3.26Å; P382-L386 WeakPolarHBondContact O-CB 3.29Å; P382-L386 PolarHBondContact O-N 3.42Å; P382-L386 VanDerWaalsContact O-N 3.14Å |
| 383 | L | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -76.2 | -46.9 | -179.9 | -56 | -173.2 | 0 | 0 | 0 | 111.9 | T260 Y297 E333 I336 D366 Y381 S385 L386 M387 | T260-L383 HydrophobicContact CG2-CB 4.16Å; T260-L383 HydrophobicContact CG2-CD1 4.04Å; Y297-L383 HydrophobicContact CD1-CD1 3.65Å; Y297-L383 HydrophobicContact CD1-CD2 4.39Å; Y297-L383 HydrophobicContact CD1-CG 3.79Å; Y297-L383 HydrophobicContact CD2-CD1 3.77Å; Y297-L383 HydrophobicContact CD2-CG 4.49Å; Y297-L383 HydrophobicContact CE1-CD1 4.1Å; Y297-L383 HydrophobicContact CE1-CD2 3.99Å; Y297-L383 HydrophobicContact CE1-CG 3.84Å; Y297-L383 HydrophobicContact CE2-CD1 4.2Å; Y297-L383 HydrophobicContact CE2-CD2 4.22Å; Y297-L383 HydrophobicContact CG-CD1 3.5Å; Y297-L383 VanDerWaalsContact CG-CD1 3.5Å; Y297-L383 HydrophobicContact CG-CG 4.16Å; E333-L383 HydrophobicContact CG-CD2 3.99Å; I336-L383 HydrophobicContact CD1-CB 3.72Å; I336-L383 HydrophobicContact CD1-CD1 4.01Å; I336-L383 HydrophobicContact CD1-CD2 3.87Å; I336-L383 HydrophobicContact CD1-CG 4.05Å; D366-L383 WeakPolarHBondContact OD2-CA 3.36Å; D366-L383 WeakPolarHBondContact OD2-CB 3.31Å; D366-L383 PolarHBondContact OD2-N 2.93Å; Y381-L383 PolarHBondContact O-N 2.9Å; L383-S385 VanDerWaalsContact C-N 3.34Å; L383-S385 PolarHBondContact O-N 2.76Å; L383-L386 WeakPolarHBondContact O-CB 3.43Å; L383-L386 PolarHBondContact O-N 2.77Å; L383-M387 PolarHBondContact O-N 3.44Å |
| 384 | V | 96 | Very high | 89.2 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 178 | -169.1 | 0 | 0 | 0 | 0 | 111.2 | L47 V360 L363 D366 Y381 L386 M387 K388 | L47-V384 HydrophobicContact CB-CG1 4.02Å; L47-V384 HydrophobicContact CD1-CG1 4.32Å; L47-V384 HydrophobicContact CD2-CG1 4.38Å; L47-V384 HydrophobicContact CG-CG1 4.49Å; V360-V384 HydrophobicContact CB-CG2 4.48Å; V360-V384 HydrophobicContact CG1-CG2 4.17Å; V360-V384 HydrophobicContact CG2-CG1 4.41Å; V360-V384 HydrophobicContact CG2-CG2 3.93Å; L363-V384 HydrophobicContact CD2-CG1 4.37Å; L363-V384 HydrophobicContact CD2-CG2 4.29Å; D366-V384 HydrophobicContact CB-CG2 4.27Å; D366-V384 WeakPolarHBondContact OD2-CG2 3.33Å; D366-V384 PolarHBondContact OD2-N 2.9Å; Y381-V384 HydrophobicContact CD1-CG2 4.22Å; Y381-V384 PolarHBondContact O-N 2.76Å; V384-L386 VanDerWaalsContact C-N 3.26Å; V384-L386 PolarHBondContact O-N 2.96Å; V384-M387 HydrophobicContact CG1-CE 3.98Å; V384-M387 WeakPolarHBondContact O-CB 3.41Å; V384-M387 PolarHBondContact O-N 3.38Å; V384-K388 PolarHBondContact O-N 2.8Å |
| 385 | S | 94.4 | Very high | 87.2 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 15% | 0.147 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.2 | -33.8 | 175.6 | -64.4 | 0 | 0 | 0 | 0 | 112 | K380 Y381 L383 K388 E389 | K380-S385 PolarHBondContact O-OG 2.97Å; Y381-S385 WeakPolarHBondContact O-CB 3.22Å; Y381-S385 PolarHBondContact O-N 3.13Å; Y381-S385 PolarHBondContact O-OG 2.67Å; L383-S385 VanDerWaalsContact C-N 3.34Å; L383-S385 PolarHBondContact O-N 2.76Å; S385-K388 WeakPolarHBondContact O-CB 3.4Å; S385-K388 PolarHBondContact O-N 2.98Å; S385-E389 WeakPolarHBondContact O-CB 3.48Å; S385-E389 PolarHBondContact O-N 3.13Å |
| 386 | L | 91.8 | Very high | 85.3 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.4 | -42.8 | 174.9 | 170.8 | 61.9 | 0 | 0 | 0 | 111.4 | E333 I336 K337 P382 L383 V384 K388 E389 V390 | E333-L386 HydrophobicContact CB-CD2 4.14Å; E333-L386 HydrophobicContact CG-CD2 4.48Å; I336-L386 HydrophobicContact CB-CD2 3.75Å; I336-L386 HydrophobicContact CG2-CD2 3.54Å; I336-L386 HydrophobicContact CG2-CG 3.96Å; K337-L386 HydrophobicContact CB-CD1 3.88Å; K337-L386 HydrophobicContact CB-CD2 3.67Å; K337-L386 HydrophobicContact CB-CG 4.29Å; K337-L386 HydrophobicContact CD-CD1 3.56Å; K337-L386 HydrophobicContact CG-CD1 3.79Å; P382-L386 VanDerWaalsContact O-CB 3.26Å; P382-L386 WeakPolarHBondContact O-CB 3.29Å; P382-L386 PolarHBondContact O-N 3.42Å; P382-L386 VanDerWaalsContact O-N 3.14Å; L383-L386 WeakPolarHBondContact O-CB 3.43Å; L383-L386 PolarHBondContact O-N 2.77Å; V384-L386 VanDerWaalsContact C-N 3.26Å; V384-L386 PolarHBondContact O-N 2.96Å; L386-K388 VanDerWaalsContact C-N 3.27Å; L386-K388 PolarHBondContact O-N 3.27Å; L386-E389 PolarHBondContact O-N 3.33Å; L386-E389 VanDerWaalsContact O-N 3.16Å; L386-V390 HydrophobicContact CD1-CG2 3.95Å; L386-V390 PolarHBondContact O-N 3.09Å |
| 387 | M | 92.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.4 | -46.2 | 171.2 | 178.8 | -175.3 | 69.6 | 0 | 0 | 111.2 | R21 L258 A358 V360 L383 V384 L391 | R21-M387 HydrophobicContact CB-CE 4.21Å; L258-M387 HydrophobicContact CD1-CB 4.36Å; L258-M387 HydrophobicContact CD1-CG 4.28Å; L258-M387 HydrophobicContact CD1-SD 4.12Å; A358-M387 HydrophobicContact CB-CG 4.13Å; A358-M387 HydrophobicContact CB-SD 3.77Å; V360-M387 HydrophobicContact CG1-CE 4.21Å; V360-M387 HydrophobicContact CG1-SD 4.05Å; L383-M387 PolarHBondContact O-N 3.44Å; V384-M387 HydrophobicContact CG1-CE 3.98Å; V384-M387 WeakPolarHBondContact O-CB 3.41Å; V384-M387 PolarHBondContact O-N 3.38Å; M387-L391 HydrophobicContact CG-CD1 3.79Å; M387-L391 HydrophobicContact CG-CG 4.44Å; M387-L391 VanDerWaalsContact O-CB 3.28Å; M387-L391 WeakPolarHBondContact O-CB 3.15Å; M387-L391 WeakPolarHBondContact O-CG 3.46Å; M387-L391 PolarHBondContact O-N 2.78Å |
| 388 | K | 91.1 | Very high | 80 | Confident | 62 Ų | 62 | 46.4 Ų | 46.4 | 27% | 0.27 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -58.5 | -50 | 173.7 | 170.6 | -173.6 | -170.5 | 170.2 | 0 | 112.5 | D46 V384 S385 L386 V390 G392 | D46-K388 WeakPolarHBondContact O-CD 3.35Å; D46-K388 WeakPolarHBondContact O-CE 3.43Å; D46-K388 PolarHBondContact O-NZ 3.25Å; D46-K388 IonicContact OD1-NZ 2.79Å; D46-K388 VanDerWaalsContact OD2-CE 3.28Å; D46-K388 WeakPolarHBondContact OD2-CE 3.49Å; D46-K388 IonicContact OD2-NZ 3.06Å; D46-K388 PolarHBondContact OD2-NZ 3.03Å; V384-K388 PolarHBondContact O-N 2.8Å; S385-K388 WeakPolarHBondContact O-CB 3.4Å; S385-K388 PolarHBondContact O-N 2.98Å; L386-K388 VanDerWaalsContact C-N 3.27Å; L386-K388 PolarHBondContact O-N 3.27Å; K388-V390 VanDerWaalsContact C-N 3.33Å; K388-V390 PolarHBondContact O-N 3.22Å; K388-G392 WeakPolarHBondContact O-CA 3.12Å; K388-G392 PolarHBondContact O-N 3.34Å |
| 389 | E | 89.1 | Confident | 77.2 | Confident | 89 Ų | 89 | 48.8 Ų | 48.8 | 42% | 0.416 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.8 | -48.5 | -176.7 | -178.7 | -176.2 | 139.3 | 0 | 0 | 110.9 | K337 S385 L386 T393 | K337-E389 IonicContact NZ-OE1 2.83Å; K337-E389 PolarHBondContact NZ-OE1 2.89Å; S385-E389 WeakPolarHBondContact O-CB 3.48Å; S385-E389 PolarHBondContact O-N 3.13Å; L386-E389 PolarHBondContact O-N 3.33Å; L386-E389 VanDerWaalsContact O-N 3.16Å; E389-T393 VanDerWaalsContact O-CG2 3.32Å; E389-T393 WeakPolarHBondContact O-CG2 3.42Å; E389-T393 PolarHBondContact O-OG1 2.95Å; E389-T393 VanDerWaalsContact O-OG1 3.13Å |
| 390 | V | 86.4 | Confident | 74.2 | Confident | 14 Ų | 14 | 52.1 Ų | 52.1 | 9% | 0.085 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -76.6 | -41.6 | -174.8 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | L347 L348 M351 L386 K388 T393 S394 | L347-V390 HydrophobicContact CB-CB 4.15Å; L347-V390 HydrophobicContact CB-CG1 3.56Å; L347-V390 HydrophobicContact CD1-CB 3.72Å; L347-V390 HydrophobicContact CD1-CG1 4.11Å; L347-V390 HydrophobicContact CD1-CG2 3.88Å; L347-V390 HydrophobicContact CG-CG1 4.47Å; L348-V390 HydrophobicContact CD2-CG1 4.43Å; M351-V390 HydrophobicContact SD-CG1 3.82Å; L386-V390 HydrophobicContact CD1-CG2 3.95Å; L386-V390 PolarHBondContact O-N 3.09Å; K388-V390 VanDerWaalsContact C-N 3.33Å; K388-V390 PolarHBondContact O-N 3.22Å; V390-T393 PolarHBondContact O-OG1 2.76Å; V390-S394 PolarHBondContact O-OG 2.87Å |
| 391 | L | 87.8 | Confident | 70.9 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -81.1 | -21.8 | -177.8 | -63.3 | -173.9 | 0 | 0 | 0 | 113.3 | Y19 R21 L347 L350 M351 A358 M387 | Y19-L391 HydrophobicContact CD1-CD2 4.32Å; Y19-L391 HydrophobicContact CD2-CD2 4.31Å; Y19-L391 HydrophobicContact CG-CD2 3.98Å; R21-L391 HydrophobicContact CG-CB 4.2Å; R21-L391 HydrophobicContact CG-CD1 4.2Å; L347-L391 HydrophobicContact CD2-CD1 4.3Å; L347-L391 HydrophobicContact CD2-CD2 4.29Å; L347-L391 HydrophobicContact CD2-CG 4.26Å; L350-L391 HydrophobicContact CD1-CD2 4.11Å; M351-L391 HydrophobicContact CG-CD2 3.9Å; M351-L391 HydrophobicContact SD-CD2 3.84Å; A358-L391 HydrophobicContact CB-CD1 3.9Å; M387-L391 HydrophobicContact CG-CD1 3.79Å; M387-L391 HydrophobicContact CG-CG 4.44Å; M387-L391 VanDerWaalsContact O-CB 3.28Å; M387-L391 WeakPolarHBondContact O-CB 3.15Å; M387-L391 WeakPolarHBondContact O-CG 3.46Å; M387-L391 PolarHBondContact O-N 2.78Å |
| 392 | G | 77.6 | Confident | 67.5 | Low | 56 Ų | 56 | 61.2 Ų | 61.2 | 58% | 0.577 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -87.3 | -23.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | K388 S394 | K388-G392 WeakPolarHBondContact O-CA 3.12Å; K388-G392 PolarHBondContact O-N 3.34Å; G392-S394 VanDerWaalsContact C-N 3.3Å |
| 393 | T | 64.7 | Low | 64.1 | Low | 116 Ų | 116 | 67.7 Ų | 67.7 | 71% | 0.712 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -83.9 | -4.7 | 178 | 53.5 | 0 | 0 | 0 | 0 | 114 | E389 V390 | E389-T393 VanDerWaalsContact O-CG2 3.32Å; E389-T393 WeakPolarHBondContact O-CG2 3.42Å; E389-T393 PolarHBondContact O-OG1 2.95Å; E389-T393 VanDerWaalsContact O-OG1 3.13Å; V390-T393 PolarHBondContact O-OG1 2.76Å |
| 394 | S | 53.1 | Low | 60.9 | Low | 22 Ų | 22 | 74.1 Ų | 74.1 | 15% | 0.154 | 42% | 0.421 | C | S | . | . | trans | -123.9 | 93.5 | -160.2 | -54.3 | 0 | 0 | 0 | 0 | 110.2 | Y19 M351 V390 G392 R396 | Y19-S394 WeakPolarHBondContact CE2-O 3.42Å; M351-S394 WeakPolarHBondContact CE-OG 3.47Å; V390-S394 PolarHBondContact O-OG 2.87Å; G392-S394 VanDerWaalsContact C-N 3.3Å; S394-R396 PolarHBondContact O-N 3.37Å | ||
| 395 | D | 51.4 | Low | 57.8 | Low | 110 Ų | 110 | 80.4 Ų | 80.4 | 59% | 0.588 | 46% | 0.455 | S | S | * | . | trans | -57.8 | 131.4 | 164.9 | -73.2 | -26.4 | 0 | 0 | 0 | 108.3 | G397 H398 | D395-G397 PolarHBondContact O-N 2.74Å; D395-H398 PolarHBondContact O-N 3.43Å | ||
| 396 | R | 51.6 | Low | 54.5 | Low | 35 Ų | 35 | 86.7 Ų | 86.7 | 13% | 0.132 | 49% | 0.487 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -17 | 176.5 | -78.5 | -177.2 | -172.5 | -173.6 | 4 | 113.5 | V14 G17 N18 Y19 G356 S394 | V14-R396 HydrophobicContact CG1-CB 3.97Å; G17-R396 WeakPolarHBondContact O-CB 3.48Å; G17-R396 WeakPolarHBondContact O-CD 3.4Å; G17-R396 WeakPolarHBondContact O-CG 3.43Å; G17-R396 PolarHBondContact O-NE 2.88Å; N18-R396 PolarHBondContact O-NH2 3.24Å; Y19-R396 HydrophobicContact CD1-CG 4.49Å; Y19-R396 HydrophobicContact CD2-CG 4.27Å; Y19-R396 HydrophobicContact CE1-CG 4.05Å; Y19-R396 HydrophobicContact CE2-CG 3.79Å; G356-R396 VanDerWaalsContact CA-NH2 3.34Å; G356-R396 PolarHBondContact O-NH2 2.7Å; S394-R396 PolarHBondContact O-N 3.37Å |
| 397 | G | 42.7 | Very low | 51.5 | Low | 51 Ų | 51 | 94.3 Ų | 94.3 | 53% | 0.526 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -17.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | D395 | D395-G397 PolarHBondContact O-N 2.74Š|
| 398 | H | 34.2 | Very low | 48.2 | Very low | 165 Ų | 165 | 100.1 Ų | 100.1 | 76% | 0.764 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -11.8 | -166.3 | -149.3 | 60 | 0 | 0 | 0 | 115.7 | D395 Q400 | D395-H398 PolarHBondContact O-N 3.43Å; H398-Q400 PolarHBondContact O-N 3.24Å |
| 399 | L | 36.5 | Very low | 45.1 | Very low | 102 Ų | 102 | 104.8 Ų | 104.8 | 53% | 0.534 | 59% | 0.589 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.3 | 7.6 | -179.2 | -72.7 | 172 | 0 | 0 | 0 | 115 | M351 | M351-L399 HydrophobicContact CB-CD1 4.25Å; M351-L399 HydrophobicContact CE-CD1 3.49Å; M351-L399 VanDerWaalsContact CE-CD1 3.49Å |
| 400 | Q | 31.2 | Very low | 42.2 | Very low | 151 Ų | 151 | 105.7 Ų | 105.7 | 71% | 0.706 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -108.3 | 103.3 | 168.9 | -69.3 | -169.4 | 23.1 | 0 | 0 | 110.4 | H398 | H398-Q400 PolarHBondContact O-N 3.24Š|
| 401 | G | 28.8 | Very low | 39.3 | Very low | 68 Ų | 68 | 113.2 Ų | 113.2 | 70% | 0.701 | 65% | 0.645 | S | S | * | * | trans | 148.1 | 49.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | N403 | G401-N403 PolarHBondContact O-N 2.89Š| ||
| 402 | K | 24.6 | Very low | 36.6 | Very low | 211 Ų | 211 | 118.2 Ų | 118.2 | 92% | 0.917 | 68% | 0.681 | S | S | * | * | trans | -85.9 | 82.6 | 140.9 | -86.5 | -172.1 | 178.3 | 179.4 | 0 | 107.2 | T404 | K402-T404 PolarHBondContact O-N 2.72Š| ||
| 403 | N | 25.1 | Very low | 34.1 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | trans | -61.8 | 112.3 | 165.1 | -105.6 | -9.9 | 0 | 0 | 0 | 107.3 | G401 N405 | G401-N403 PolarHBondContact O-N 2.89Å; N403-N405 PolarHBondContact O-N 3.21Å | ||
| 404 | T | 28.5 | Very low | 32.1 | Very low | 134 Ų | 134 | 127.3 Ų | 127.3 | 82% | 0.822 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 72.6 | 166.8 | 51.6 | 0 | 0 | 0 | 0 | 108.8 | K402 | K402-T404 PolarHBondContact O-N 2.72Š|
| 405 | N | 30.6 | Very low | 30.9 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | -2.1 | 167.6 | -85.6 | -17.2 | 0 | 0 | 0 | 113.7 | N403 | N403-N405 PolarHBondContact O-N 3.21Š|
| 406 | D | 25.5 | Very low | 29.8 | Very low | 154 Ų | 154 | 135.5 Ų | 135.5 | 82% | 0.824 | 75% | 0.746 | S | S | * | * | trans | -108.7 | 66 | 174.2 | -72.7 | -21.4 | 0 | 0 | 0 | 111.1 | ||||
| 407 | I | 27.3 | Very low | 28.6 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -140.2 | 78.1 | 152.5 | -52.8 | -179.8 | 0 | 0 | 0 | 106.9 | ||||
| 408 | T | 24.2 | Very low | 27.9 | Very low | 121 Ų | 121 | 147 Ų | 147 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -93.3 | 130.4 | 157.4 | 49.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 409 | D | 26.1 | Very low | 27.6 | Very low | 160 Ų | 160 | 145.4 Ų | 145.4 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | trans | 64.3 | 96.3 | 166 | -69.3 | -20.8 | 0 | 0 | 0 | 119.2 | ||||
| 410 | S | 28.6 | Very low | 27.3 | Very low | 108 Ų | 108 | 145.7 Ų | 145.7 | 76% | 0.755 | 81% | 0.809 | S | S | * | * | -161 | 117.2 | 118.2 | 59.5 | 0 | 0 | 0 | 0 | 110.6 | S412 | S410-S412 PolarHBondContact O-N 3.07Š| |||
| 411 | N | 25 | Very low | 27.2 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 92% | 0.92 | 81% | 0.811 | S | S | * | * | trans | -51.7 | 119.8 | 169.9 | -76.1 | -40.1 | 0 | 0 | 0 | 111.8 | ||||
| 412 | S | 30.7 | Very low | 27.3 | Very low | 110 Ų | 110 | 149.3 Ų | 149.3 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -150.5 | 115.7 | 150.3 | 61.9 | 0 | 0 | 0 | 0 | 109.5 | S410 F414 | S410-S412 PolarHBondContact O-N 3.07Å; S412-F414 PolarHBondContact O-N 3.12Å | ||
| 413 | N | 24.8 | Very low | 27.7 | Very low | 164 Ų | 164 | 145.9 Ų | 145.9 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -49.8 | 119.6 | 175.5 | -64.8 | -32.9 | 0 | 0 | 0 | 111.2 | ||||
| 414 | F | 24.5 | Very low | 28.2 | Very low | 199 Ų | 199 | 146.6 Ų | 146.6 | 87% | 0.873 | 81% | 0.808 | S | S | * | * | trans | -138.4 | 111.2 | 156.6 | -137 | -93.9 | 0 | 0 | 0 | 108 | S412 | S412-F414 PolarHBondContact O-N 3.12Š| ||
| 415 | E | 27.2 | Very low | 28.4 | Very low | 179 Ų | 179 | 145.6 Ų | 145.6 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -64.5 | 128.3 | 177.7 | -73.7 | -179.3 | 156.1 | 0 | 0 | 109.8 | T417 | E415-T417 PolarHBondContact O-N 3.32Š| ||
| 416 | P | 27.8 | Very low | 28.6 | Very low | 126 Ų | 126 | 142.4 Ų | 142.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -79 | 115.4 | 177.7 | -1.2 | 16.8 | 0 | 0 | 0 | 110.3 | E418 | P416-E418 PolarHBondContact O-N 3.28Š| ||
| 417 | T | 27.8 | Very low | 29.2 | Very low | 134 Ų | 134 | 143.3 Ų | 143.3 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -69.2 | 120.7 | 164 | 45.9 | 0 | 0 | 0 | 0 | 109.9 | E415 V419 | E415-T417 PolarHBondContact O-N 3.32Å; T417-V419 PolarHBondContact O-N 3.32Å | ||
| 418 | E | 26.8 | Very low | 29.7 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 91% | 0.907 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -60.4 | 87.4 | 178.3 | -66.5 | -179.9 | 139.4 | 0 | 0 | 113.2 | P416 | P416-E418 PolarHBondContact O-N 3.28Š|
| 419 | V | 28.3 | Very low | 30.4 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 79% | 0.788 | 76% | 0.76 | S | S | * | * | trans | -148 | 131.2 | 153 | -168.4 | 0 | 0 | 0 | 0 | 108.1 | T417 | T417-V419 PolarHBondContact O-N 3.32Š| ||
| 420 | S | 28.8 | Very low | 31 | Very low | 109 Ų | 109 | 140.4 Ų | 140.4 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | trans | 96.4 | 46.4 | 170.1 | -41.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 421 | I | 29.5 | Very low | 31.3 | Very low | 144 Ų | 144 | 144.1 Ų | 144.1 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | -101.2 | 2.8 | 161.7 | -71.7 | 179.8 | 0 | 0 | 0 | 113.5 | ||||
| 422 | N | 31.2 | Very low | 32 | Very low | 151 Ų | 151 | 142.7 Ų | 142.7 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -94.5 | 8.2 | -174.7 | -84.2 | -25.7 | 0 | 0 | 0 | 117.7 | ||
| 423 | I | 34 | Very low | 32.2 | Very low | 139 Ų | 139 | 147.6 Ų | 147.6 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -105.3 | -25.8 | 177.2 | -62.4 | -179.8 | 0 | 0 | 0 | 113.4 | S426 | I423-S426 PolarHBondContact O-OG 2.98Š|
| 424 | I | 34.9 | Very low | 32.6 | Very low | 152 Ų | 152 | 145 Ų | 145 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -23.2 | -175.9 | -62 | 177.4 | 0 | 0 | 0 | 112.8 | ||
| 425 | L | 32.3 | Very low | 33.2 | Very low | 114 Ų | 114 | 139.9 Ų | 139.9 | 60% | 0.597 | 74% | 0.741 | S | S | * | * | H | α-helix | trans | -84.5 | -7.6 | -178.6 | -77.6 | 166 | 0 | 0 | 0 | 115.2 | ||
| 426 | S | 35.5 | Very low | 33.6 | Very low | 65 Ų | 65 | 142.1 Ų | 142.1 | 46% | 0.455 | 74% | 0.742 | S | S | . | * | H | α-helix | trans | -79.6 | -22.3 | -179.9 | 69 | 0 | 0 | 0 | 0 | 113.8 | I423 | I423-S426 PolarHBondContact O-OG 2.98Å |
| 427 | F | 37.8 | Very low | 33.8 | Very low | 173 Ų | 173 | 145.2 Ų | 145.2 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | H | α-helix | trans | -89.8 | -23.7 | -178.9 | -78.5 | -80.9 | 0 | 0 | 0 | 114.6 | ||
| 428 | S | 38.8 | Very low | 34.1 | Very low | 85 Ų | 85 | 146.3 Ų | 146.3 | 59% | 0.594 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -90 | -18.3 | -178.9 | -154.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 429 | V | 38.5 | Very low | 34.7 | Very low | 87 Ų | 87 | 146 Ų | 146 | 53% | 0.527 | 74% | 0.741 | S | S | . | * | H | α-helix | trans | -86.8 | -21.9 | -179.9 | -177.6 | 0 | 0 | 0 | 0 | 112.8 | K431 L432 | V429-K431 VanDerWaalsContact C-N 3.3Å; V429-K431 PolarHBondContact O-N 3.39Å; V429-L432 PolarHBondContact O-N 3.4Å |
| 430 | R | 37.3 | Very low | 35.1 | Very low | 213 Ų | 213 | 148.7 Ų | 148.7 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | H | α-helix | trans | -71 | -20.8 | 176.5 | -78.8 | -172.5 | 177.2 | -161.5 | 0.6 | 114 | ||
| 431 | K | 36.7 | Very low | 35.2 | Very low | 186 Ų | 186 | 150.1 Ų | 150.1 | 81% | 0.809 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -77.4 | -14.3 | 174.6 | -85.4 | -174.7 | 175.8 | 179.3 | 0 | 114.7 | V429 | V429-K431 VanDerWaalsContact C-N 3.3Å; V429-K431 PolarHBondContact O-N 3.39Å |
| 432 | L | 38.4 | Very low | 35.4 | Very low | 143 Ų | 143 | 152.7 Ų | 152.7 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -99.8 | -7.3 | 179.9 | -85 | 158.2 | 0 | 0 | 0 | 114.7 | V429 | V429-L432 PolarHBondContact O-N 3.4Å |
| 433 | R | 35.9 | Very low | 35.4 | Very low | 212 Ų | 212 | 154.7 Ų | 154.7 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | H | α-helix | trans | -101.2 | -11.6 | 175.8 | -77 | -169.6 | 176.6 | -159.5 | 0.5 | 115.7 | ||
| 434 | C | 32.3 | Very low | 35.6 | Very low | 111 Ų | 111 | 160 Ų | 160 | 75% | 0.75 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | -8.2 | 174.3 | -88.6 | 0 | 0 | 0 | 0 | 114.9 | ||
| 435 | A | 37.9 | Very low | 35.6 | Very low | 91 Ų | 91 | 160.4 Ų | 160.4 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | -0.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 436 | R | 35.3 | Very low | 35.8 | Very low | 226 Ų | 226 | 162.8 Ų | 162.8 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -113.8 | 8.9 | -177.8 | -139.7 | 179 | -171.5 | 179 | 1.5 | 114.9 | ||
| 437 | F | 31.7 | Very low | 35.8 | Very low | 190 Ų | 190 | 168.3 Ų | 168.3 | 83% | 0.833 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -110.7 | 17.4 | -176.1 | -128.7 | -87.1 | 0 | 0 | 0 | 114.5 | ||
| 438 | I | 34.9 | Very low | 35.7 | Very low | 157 Ų | 157 | 168 Ų | 168 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -118.9 | 2.9 | 178.9 | -63.5 | -178.5 | 0 | 0 | 0 | 113.4 | ||
| 439 | E | 38.4 | Very low | 35.5 | Very low | 189 Ų | 189 | 173.2 Ų | 173.2 | 88% | 0.883 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -115.1 | 6.2 | 179.6 | -94.1 | -176.8 | 169.8 | 0 | 0 | 117.5 | ||
| 440 | E | 37.1 | Very low | 35.3 | Very low | 186 Ų | 186 | 178.9 Ų | 178.9 | 87% | 0.869 | 86% | 0.855 | S | S | * | * | S | Bend | trans | -120.5 | 29.4 | -178.5 | -77.4 | -175.3 | 173.4 | 0 | 0 | 116.2 | ||
| 441 | T | 31.8 | Very low | 35.2 | Very low | 139 Ų | 139 | 176.5 Ų | 176.5 | 85% | 0.853 | 86% | 0.859 | S | S | * | * | trans | -128.6 | 41.6 | 166.5 | 58.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 442 | K | 32 | Very low | 35.1 | Very low | 198 Ų | 198 | 175.8 Ų | 175.8 | 86% | 0.861 | 86% | 0.863 | S | S | * | * | S | Bend | trans | -117.1 | 102.3 | 154.3 | -78.6 | -173.7 | 177.8 | 179.9 | 0 | 107.2 | ||
| 443 | E | 31.1 | Very low | 34.8 | Very low | 192 Ų | 192 | 178.5 Ų | 178.5 | 90% | 0.897 | 87% | 0.873 | S | S | * | * | trans | 113.3 | 73.9 | -179.9 | -67.1 | -178.9 | 179.6 | 0 | 0 | 113.5 | ||||
| 444 | L | 39.1 | Very low | 34.7 | Very low | 251 Ų | 251 | 175.5 Ų | 175.5 | 100% | 1.314 | 88% | 0.879 | S | S | * | * | trans | -161.8 | 0 | 137.1 | -101.5 | 163.6 | 0 | 0 | 0 | 109.1 |
Retrieved 444 of 444 residues in 630.4 ms
(Link to these results)