| 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 | 38.9 | Very low | 34.4 | Very low | 249 Ų | 249 | 192.5 Ų | 192.5 | 100% | 1.227 | 88% | 0.884 | S | S | * | * | 0 | 91.6 | 0 | -74 | 177.3 | 148.4 | 0 | 0 | 108.7 | |||||
| 2 | S | 35.5 | Very low | 34.2 | Very low | 111 Ų | 111 | 185.2 Ų | 185.2 | 78% | 0.776 | 87% | 0.872 | S | S | * | * | trans | -91.2 | 112.2 | 178.3 | 56.5 | 0 | 0 | 0 | 0 | 109.7 | L4 | S2-L4 PolarHBondContact O-N 3.14Å; S2-L4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | S | 35.8 | Very low | 34.5 | Very low | 96 Ų | 96 | 179.5 Ų | 179.5 | 67% | 0.671 | 87% | 0.865 | S | S | * | * | trans | -70.2 | 102.6 | 174.7 | 147.8 | 0 | 0 | 0 | 0 | 109.4 | M5 | S3-M5 PolarHBondContact O-N 3.17Š| ||
| 4 | L | 34.4 | Very low | 34.6 | Very low | 163 Ų | 163 | 173.3 Ų | 173.3 | 85% | 0.853 | 85% | 0.849 | S | S | * | * | trans | -68 | 98.3 | 167 | -91.9 | 121 | 0 | 0 | 0 | 109.6 | S2 K6 | S2-L4 PolarHBondContact O-N 3.14Å; S2-L4 VanDerWaalsContact O-N 3.14Å; L4-K6 PolarHBondContact O-N 3.05Å | ||
| 5 | M | 34.3 | Very low | 34.8 | Very low | 172 Ų | 172 | 173.1 Ų | 173.1 | 85% | 0.847 | 85% | 0.853 | S | S | * | * | trans | -67.5 | 112.9 | 170.1 | -71.3 | -146.4 | 164 | 0 | 0 | 110 | S3 K7 | S3-M5 PolarHBondContact O-N 3.17Å; M5-K7 PolarHBondContact O-N 2.95Å | ||
| 6 | K | 29.7 | Very low | 35.2 | Very low | 201 Ų | 201 | 169.3 Ų | 169.3 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | trans | -62.1 | 101.3 | 171.8 | -161.9 | 172.2 | -171 | 172 | 0 | 108.2 | L4 R8 | L4-K6 PolarHBondContact O-N 3.05Å; K6-R8 PolarHBondContact O-N 2.82Å | ||
| 7 | K | 32.2 | Very low | 36.4 | Very low | 202 Ų | 202 | 167.5 Ų | 167.5 | 88% | 0.878 | 84% | 0.836 | S | S | * | * | trans | -53.6 | 102.9 | 169.9 | -125.7 | 175.3 | -176.3 | 174.8 | 0 | 107.2 | M5 R9 | M5-K7 PolarHBondContact O-N 2.95Å; K7-R9 VanDerWaalsContact C-N 3.28Å; K7-R9 PolarHBondContact O-N 2.86Å | ||
| 8 | R | 35 | Very low | 38.1 | Very low | 240 Ų | 240 | 169.2 Ų | 169.2 | 91% | 0.906 | 83% | 0.831 | S | S | * | * | trans | -60.2 | 98.6 | 167.5 | -80.4 | 177.1 | 89.9 | -178 | 6.9 | 105.6 | K6 R10 | K6-R8 PolarHBondContact O-N 2.82Å; R8-R10 VanDerWaalsContact C-N 3.31Å; R8-R10 PolarHBondContact O-N 2.86Å | ||
| 9 | R | 33.9 | Very low | 40.6 | Very low | 240 Ų | 240 | 166.3 Ų | 166.3 | 91% | 0.906 | 82% | 0.819 | S | S | * | * | trans | -50.7 | 104.6 | 159 | -99.8 | 177.7 | 164.4 | 152.2 | -4.9 | 105.3 | K7 K11 | K7-R9 VanDerWaalsContact C-N 3.28Å; K7-R9 PolarHBondContact O-N 2.86Å; R9-K11 PolarHBondContact O-N 2.86Å | ||
| 10 | R | 34 | Very low | 43.2 | Very low | 245 Ų | 245 | 158.1 Ų | 158.1 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | trans | -56.9 | 100.3 | 155.5 | -81.5 | -176.3 | 174.5 | 171.1 | -1.1 | 103.8 | R8 S12 | R8-R10 VanDerWaalsContact C-N 3.31Å; R8-R10 PolarHBondContact O-N 2.86Å; R10-S12 VanDerWaalsContact C-N 3.29Å; R10-S12 PolarHBondContact O-N 2.92Å | ||
| 11 | K | 34.7 | Very low | 45.5 | Very low | 198 Ų | 198 | 152.3 Ų | 152.3 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | trans | -56.6 | 105.1 | 165.7 | -140 | 176.2 | -175.8 | -178.1 | 0 | 103.2 | R9 S13 | R9-K11 PolarHBondContact O-N 2.86Å; K11-S13 PolarHBondContact O-N 3.38Å | ||
| 12 | S | 32.4 | Very low | 47.9 | Very low | 105 Ų | 105 | 141.2 Ų | 141.2 | 73% | 0.734 | 70% | 0.702 | S | S | * | * | trans | -52.9 | 115.8 | 160.7 | 46.5 | 0 | 0 | 0 | 0 | 104.1 | R10 S14 | R10-S12 VanDerWaalsContact C-N 3.29Å; R10-S12 PolarHBondContact O-N 2.92Å; S12-S14 PolarHBondContact O-N 2.79Å | ||
| 13 | S | 37.7 | Very low | 50.6 | Low | 112 Ų | 112 | 137.1 Ų | 137.1 | 78% | 0.783 | 67% | 0.673 | S | S | * | * | trans | -62.6 | 98.3 | 176.5 | 48.4 | 0 | 0 | 0 | 0 | 106.2 | K11 | K11-S13 PolarHBondContact O-N 3.38Š| ||
| 14 | S | 35.3 | Very low | 53.3 | Low | 92 Ų | 92 | 135.2 Ų | 135.2 | 64% | 0.643 | 65% | 0.651 | S | S | * | * | trans | -48.2 | 135.3 | 173.9 | 47 | 0 | 0 | 0 | 0 | 110 | S12 T16 | S12-S14 PolarHBondContact O-N 2.79Å; S14-T16 PolarHBondContact O-N 3.03Å; S14-T16 PolarHBondContact O-OG1 2.66Å | ||
| 15 | N | 38.7 | Very low | 56.3 | Low | 170 Ų | 170 | 127.5 Ų | 127.5 | 91% | 0.909 | 61% | 0.61 | S | S | * | * | trans | -48.5 | 54 | 172.8 | -71.3 | -15.5 | 0 | 0 | 0 | 115.4 | ||||
| 16 | T | 40.2 | Very low | 59.3 | Low | 112 Ų | 112 | 119.8 Ų | 119.8 | 69% | 0.687 | 57% | 0.574 | S | S | * | * | trans | -81.7 | 114.7 | 156.8 | -27.4 | 0 | 0 | 0 | 0 | 103.2 | S14 R18 | S14-T16 PolarHBondContact O-N 3.03Å; S14-T16 PolarHBondContact O-OG1 2.66Å; T16-R18 PolarHBondContact O-N 2.67Å | ||
| 17 | L | 56.3 | Low | 62.5 | Low | 139 Ų | 139 | 110.4 Ų | 110.4 | 73% | 0.728 | 53% | 0.533 | S | S | * | . | trans | -54.5 | 89.8 | 170.8 | -104.7 | 113.1 | 0 | 0 | 0 | 107.2 | N19 Y70 | L17-N19 PolarHBondContact O-N 3.36Å; L17-Y70 HydrophobicContact CD2-CE2 4.37Å | ||
| 18 | R | 67 | Low | 65.7 | Low | 198 Ų | 198 | 102 Ų | 102 | 75% | 0.747 | 50% | 0.499 | S | S | * | . | trans | -69.4 | 128.2 | -177.6 | -160.4 | 177.7 | -169.5 | -163.5 | 0.9 | 104.8 | T16 I20 | T16-R18 PolarHBondContact O-N 2.67Å; R18-I20 VanDerWaalsContact O-CG2 3.25Å; R18-I20 WeakPolarHBondContact O-CG2 3.25Å; R18-I20 PolarHBondContact O-N 2.86Å | ||
| 19 | N | 86.2 | Confident | 68.6 | Low | 114 Ų | 114 | 92.2 Ų | 92.2 | 61% | 0.61 | 46% | 0.462 | S | S | * | . | trans | -54.8 | 109.2 | 174.8 | -176.1 | 0.8 | 0 | 0 | 0 | 108.5 | L17 V21 | L17-N19 PolarHBondContact O-N 3.36Å; N19-V21 VanDerWaalsContact C-N 3.35Å; N19-V21 WeakPolarHBondContact OD1-CB 3.16Å; N19-V21 VanDerWaalsContact OD1-CG2 3.3Å; N19-V21 WeakPolarHBondContact OD1-CG2 3.3Å; N19-V21 PolarHBondContact OD1-N 2.81Å | ||
| 20 | I | 91.5 | Very high | 71.6 | Confident | 2 Ų | 2 | 85.2 Ų | 85.2 | 1% | 0.01 | 44% | 0.439 | C | S | . | . | trans | -90.2 | -4.4 | -178.3 | 60.8 | 171.7 | 0 | 0 | 0 | 112 | R18 G22 C23 V43 Y54 L69 Y70 V80 | R18-I20 VanDerWaalsContact O-CG2 3.25Å; R18-I20 WeakPolarHBondContact O-CG2 3.25Å; R18-I20 PolarHBondContact O-N 2.86Å; I20-G22 PolarHBondContact O-N 2.67Å; I20-C23 WeakPolarHBondContact O-CA 3.44Å; I20-C23 WeakPolarHBondContact O-CB 3.41Å; I20-C23 PolarHBondContact O-N 3.03Å; I20-V43 HydrophobicContact CD1-CG2 4.12Å; I20-V43 HydrophobicContact CG1-CG1 4.35Å; I20-V43 HydrophobicContact CG1-CG2 4.32Å; I20-V43 WeakPolarHBondContact O-CB 3.44Å; I20-Y54 HydrophobicContact CD1-CD1 4.13Å; I20-Y54 HydrophobicContact CD1-CE1 3.78Å; I20-Y54 HydrophobicContact CD1-CE2 4.4Å; I20-Y54 HydrophobicContact CG1-CD1 4.15Å; I20-Y54 HydrophobicContact CG1-CE1 3.62Å; I20-L69 HydrophobicContact CD1-CD1 3.6Å; I20-Y70 HydrophobicContact CD1-CE2 3.99Å; I20-Y70 WeakPolarHBondContact CG2-OH 3.49Å; I20-V80 HydrophobicContact CG2-CG1 4.42Å; I20-V80 HydrophobicContact CG2-CG2 3.57Å | ||
| 21 | V | 90.9 | Very high | 74.4 | Confident | 38 Ų | 38 | 77.7 Ų | 77.7 | 23% | 0.23 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 130.2 | 175.7 | 175.3 | 0 | 0 | 0 | 0 | 109.2 | N19 C23 V43 Q46 I128 | N19-V21 VanDerWaalsContact C-N 3.35Å; N19-V21 WeakPolarHBondContact OD1-CB 3.16Å; N19-V21 VanDerWaalsContact OD1-CG2 3.3Å; N19-V21 WeakPolarHBondContact OD1-CG2 3.3Å; N19-V21 PolarHBondContact OD1-N 2.81Å; V21-C23 VanDerWaalsContact C-N 3.26Å; V21-C23 PolarHBondContact O-N 3.22Å; V21-V43 HydrophobicContact CG2-CG1 4.23Å; V21-Q46 HydrophobicContact CG2-CB 3.88Å; V21-I128 HydrophobicContact CG1-CD1 3.21Å |
| 22 | G | 90 | Very high | 77.1 | Confident | 15 Ų | 15 | 71 Ų | 71 | 16% | 0.155 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | -5.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115 | I20 V43 | I20-G22 PolarHBondContact O-N 2.67Å; G22-V43 WeakPolarHBondContact CA-O 3.39Å; G22-V43 PolarHBondContact N-O 3.41Å |
| 23 | C | 91.9 | Very high | 80 | Confident | 25 Ų | 25 | 73.9 Ų | 73.9 | 17% | 0.169 | 41% | 0.408 | C | S | . | . | trans | -84.2 | 150.9 | 176.5 | -61.2 | 0 | 0 | 0 | 0 | 111.5 | I20 V21 V43 V80 | I20-C23 WeakPolarHBondContact O-CA 3.44Å; I20-C23 WeakPolarHBondContact O-CB 3.41Å; I20-C23 PolarHBondContact O-N 3.03Å; V21-C23 VanDerWaalsContact C-N 3.26Å; V21-C23 PolarHBondContact O-N 3.22Å; C23-V43 PolarHBondContact O-N 3.02Å; C23-V43 VanDerWaalsContact O-N 3.09Å; C23-V80 HydrophobicContact CB-CG1 3.74Å | ||
| 24 | R | 94.1 | Very high | 82.7 | Confident | 57 Ų | 57 | 74.6 Ų | 74.6 | 22% | 0.215 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 143.1 | 161.4 | -76.3 | -172.7 | 70.6 | 92.2 | 9.7 | 109.8 | A41 I42 D59 L81 V85 | R24-A41 CarbonylContact C-O 3.53Å; R24-A41 VanDerWaalsContact CA-O 3.29Å; R24-A41 WeakPolarHBondContact CA-O 3.45Å; R24-I42 HydrophobicContact CG-CG1 3.74Å; R24-D59 IonicContact CZ-OD1 3.56Å; R24-D59 IonicContact CZ-OD2 3.4Å; R24-D59 IonicContact NH1-OD1 3.19Å; R24-D59 PolarHBondContact NH1-OD1 2.89Å; R24-D59 IonicContact NH1-OD2 2.99Å; R24-D59 IonicContact NH2-OD1 2.99Å; R24-D59 PolarHBondContact NH2-OD1 3.32Å; R24-D59 IonicContact NH2-OD2 2.9Å; R24-D59 PolarHBondContact NH2-OD2 2.79Å; R24-L81 HydrophobicContact CB-CB 3.99Å; R24-L81 HydrophobicContact CB-CD1 4.13Å; R24-L81 HydrophobicContact CB-CG 4.47Å; R24-L81 WeakPolarHBondContact O-CB 3.14Å; R24-L81 PolarHBondContact O-N 3.28Å; R24-V85 HydrophobicContact CG-CG2 3.48Å; R24-V85 VanDerWaalsContact CG-CG2 3.48Å |
| 25 | I | 95.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 156.8 | 175.2 | 62 | 171.2 | 0 | 0 | 0 | 109.9 | K40 A41 V43 V56 L69 L78 K79 V80 | I25-K40 WeakPolarHBondContact O-CA 3.3Å; I25-A41 HydrophobicContact CD1-CB 4.27Å; I25-A41 HydrophobicContact CG1-CB 3.89Å; I25-A41 PolarHBondContact N-O 3.35Å; I25-A41 PolarHBondContact O-N 3.2Å; I25-V43 HydrophobicContact CD1-CG2 3.93Å; I25-V43 HydrophobicContact CG1-CG2 4.29Å; I25-V43 HydrophobicContact CG2-CG2 3.88Å; I25-V56 HydrophobicContact CD1-CG1 4.35Å; I25-L69 HydrophobicContact CD1-CD1 3.92Å; I25-L69 HydrophobicContact CD1-CD2 3.94Å; I25-L78 HydrophobicContact CB-CD1 4.14Å; I25-L78 HydrophobicContact CD1-CD1 4.16Å; I25-L78 HydrophobicContact CG2-CD1 4.48Å; I25-K79 CarbonylContact C-O 3.55Å; I25-K79 VanDerWaalsContact CA-O 3.28Å; I25-K79 WeakPolarHBondContact CA-O 3.48Å; I25-V80 HydrophobicContact CG2-CG2 4.5Å |
| 26 | S | 97.2 | Very high | 88.4 | Confident | 11 Ų | 11 | 70.7 Ų | 70.7 | 8% | 0.077 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 141.5 | 163.1 | 66.4 | 0 | 0 | 0 | 0 | 109.4 | W39 K79 | S26-W39 WeakPolarHBondContact CA-O 3.23Å; S26-K79 PolarHBondContact N-O 3.42Å; S26-K79 PolarHBondContact O-N 2.96Å |
| 27 | H | 98.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 68.1 Ų | 68.1 | 1% | 0.014 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 168.7 | 172.8 | 63.8 | 92.8 | 0 | 0 | 0 | 109.8 | W39 Y58 I75 L76 L78 | H27-W39 PolarHBondContact N-O 2.88Å; H27-W39 VanDerWaalsContact N-O 3.08Å; H27-W39 PolarHBondContact O-N 2.94Å; H27-Y58 PolarHBondContact CE1-OH 3.43Å; H27-Y58 VanDerWaalsContact CE1-OH 3.32Å; H27-Y58 AromaticContact NE2-CE1 3.34Å; H27-Y58 VanDerWaalsContact NE2-CE1 3.34Å; H27-Y58 WeakPolarHBondContact NE2-CE1 3.28Å; H27-Y58 AromaticContact NE2-CZ 3.58Å; H27-Y58 PolarHBondContact NE2-OH 3.03Å; H27-I75 HydrophobicContact CB-CG2 3.89Å; H27-L76 WeakPolarHBondContact CB-O 3.47Å; H27-L78 HydrophobicContact CB-CB 4.4Å; H27-L78 HydrophobicContact CB-CD1 4.07Å |
| 28 | C | 98 | Very high | 93.2 | Very high | 26 Ų | 26 | 68.3 Ų | 68.3 | 18% | 0.176 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 150.5 | 166 | -69.5 | 0 | 0 | 0 | 0 | 109.1 | V36 T37 L76 | C28-V36 HydrophobicContact CB-CG1 3.61Å; C28-T37 CarbonylContact C-O 3.58Å; C28-T37 VanDerWaalsContact CA-O 3.23Å; C28-T37 WeakPolarHBondContact CA-O 3.42Å; C28-L76 HydrophobicContact CB-CB 3.91Å; C28-L76 PolarHBondContact N-O 2.9Å; C28-L76 PolarHBondContact O-N 2.71Å |
| 29 | W | 97.4 | Very high | 94.6 | Very high | 34 Ų | 34 | 63.3 Ų | 63.3 | 13% | 0.129 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 132.2 | 175.7 | -179.9 | -95.1 | 0 | 0 | 0 | 109.6 | E31 V36 T37 R74 I75 I215 | W29-E31 VanDerWaalsContact CZ2-OE2 3.23Å; W29-E31 WeakPolarHBondContact CZ2-OE2 3.22Å; W29-V36 WeakPolarHBondContact O-CA 3.47Å; W29-T37 PolarHBondContact N-O 3.23Å; W29-T37 PolarHBondContact O-N 3.27Å; W29-T37 PolarHBondContact O-OG1 2.79Å; W29-R74 CarbonylContact C-O 3.15Å; W29-R74 WeakPolarHBondContact CA-O 3.45Å; W29-R74 HydrophobicContact CD2-CB 4.14Å; W29-R74 HydrophobicContact CE3-CB 3.9Å; W29-R74 HydrophobicContact CH2-CB 3.73Å; W29-R74 HydrophobicContact CH2-CG 4.33Å; W29-R74 VanDerWaalsContact CH2-CZ 3.42Å; W29-R74 HydrophobicContact CZ2-CB 3.96Å; W29-R74 HydrophobicContact CZ2-CG 4.38Å; W29-R74 HydrophobicContact CZ3-CB 3.68Å; W29-I75 HydrophobicContact CE3-CG1 3.94Å; W29-I75 HydrophobicContact CZ3-CG1 3.83Å; W29-I215 HydrophobicContact CH2-CG2 3.78Å; W29-I215 HydrophobicContact CZ2-CG2 4.35Å |
| 30 | K | 96.8 | Very high | 95.1 | Very high | 94 Ų | 94 | 62.9 Ų | 62.9 | 41% | 0.409 | 33% | 0.334 | S | S | . | . | trans | -133.8 | 113.3 | 175.2 | -171.3 | -179.4 | 179.2 | -175.7 | 0 | 110.2 | G32 V36 R74 L76 | K30-G32 WeakPolarHBondContact CE-O 3.41Å; K30-V36 HydrophobicContact CB-CG2 4.23Å; K30-V36 HydrophobicContact CD-CG2 4.12Å; K30-V36 HydrophobicContact CG-CG2 4.19Å; K30-R74 PolarHBondContact N-O 2.87Å; K30-R74 WeakPolarHBondContact O-CA 3.39Å; K30-R74 WeakPolarHBondContact O-CB 3.37Å; K30-R74 WeakPolarHBondContact O-CG 3.43Å; K30-L76 HydrophobicContact CB-CD1 4.02Å; K30-L76 HydrophobicContact CD-CD1 4.48Å | ||
| 31 | E | 92.4 | Very high | 95.3 | Very high | 87 Ų | 87 | 62.8 Ų | 62.8 | 41% | 0.407 | 33% | 0.334 | S | S | . | . | trans | -102.7 | 109 | 175.7 | -169.5 | 71.8 | -124.7 | 0 | 0 | 109.2 | W29 N33 E34 R74 | W29-E31 VanDerWaalsContact CZ2-OE2 3.23Å; W29-E31 WeakPolarHBondContact CZ2-OE2 3.22Å; E31-N33 PolarHBondContact O-N 2.88Å; E31-N33 VanDerWaalsContact O-N 3.12Å; E31-E34 VanDerWaalsContact O-CB 3.25Å; E31-E34 WeakPolarHBondContact O-CB 3.49Å; E31-E34 WeakPolarHBondContact O-CG 3.29Å; E31-E34 PolarHBondContact O-N 3.09Å; E31-R74 IonicContact OE1-NH1 2.86Å; E31-R74 WeakPolarHBondContact OE2-CD 3.35Å; E31-R74 IonicContact OE2-NE 3.63Å; E31-R74 IonicContact OE2-NH1 3.4Å; E31-R74 PolarHBondContact OE2-NH1 3.4Å | ||
| 32 | G | 91.6 | Very high | 95.5 | Very high | 56 Ų | 56 | 61.8 Ų | 61.8 | 58% | 0.577 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | -119 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K30 | K30-G32 WeakPolarHBondContact CE-O 3.41Š|
| 33 | N | 93.5 | Very high | 95.7 | Very high | 166 Ų | 166 | 61 Ų | 61 | 89% | 0.888 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 3.4 | 180 | -68.4 | -25.7 | 0 | 0 | 0 | 113.8 | E31 | E31-N33 PolarHBondContact O-N 2.88Å; E31-N33 VanDerWaalsContact O-N 3.12Å |
| 34 | E | 94.1 | Very high | 95.8 | Very high | 127 Ų | 127 | 60 Ų | 60 | 59% | 0.593 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -67.6 | 154.7 | -179.9 | -65.2 | -58.4 | 138.1 | 0 | 0 | 112 | E31 | E31-E34 VanDerWaalsContact O-CB 3.25Å; E31-E34 WeakPolarHBondContact O-CB 3.49Å; E31-E34 WeakPolarHBondContact O-CG 3.29Å; E31-E34 PolarHBondContact O-N 3.09Å |
| 35 | P | 96.7 | Very high | 95.7 | Very high | 100 Ų | 100 | 58 Ų | 58 | 65% | 0.649 | 31% | 0.309 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 144.6 | 173.5 | -24 | 34 | 0 | 0 | 0 | 112.2 | T37 | P35-T37 PolarHBondContact O-N 2.81Š|
| 36 | V | 97.5 | Very high | 95.6 | Very high | 80 Ų | 80 | 61.8 Ų | 61.8 | 49% | 0.485 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 125.3 | 174.9 | -179 | 0 | 0 | 0 | 0 | 109.4 | C28 W29 K30 | C28-V36 HydrophobicContact CB-CG1 3.61Å; W29-V36 WeakPolarHBondContact O-CA 3.47Å; K30-V36 HydrophobicContact CB-CG2 4.23Å; K30-V36 HydrophobicContact CD-CG2 4.12Å; K30-V36 HydrophobicContact CG-CG2 4.19Å |
| 37 | T | 97.8 | Very high | 95.2 | Very high | 58 Ų | 58 | 61.6 Ų | 61.6 | 36% | 0.356 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 151.1 | 176.8 | 48.3 | 0 | 0 | 0 | 0 | 110.5 | C28 W29 P35 W39 | C28-T37 CarbonylContact C-O 3.58Å; C28-T37 VanDerWaalsContact CA-O 3.23Å; C28-T37 WeakPolarHBondContact CA-O 3.42Å; W29-T37 PolarHBondContact N-O 3.23Å; W29-T37 PolarHBondContact O-N 3.27Å; W29-T37 PolarHBondContact O-OG1 2.79Å; P35-T37 PolarHBondContact O-N 2.81Å; T37-W39 PolarHBondContact OG1-NE1 2.85Å |
| 38 | Q | 97.8 | Very high | 94.6 | Very high | 143 Ų | 143 | 66.1 Ų | 66.1 | 67% | 0.668 | 35% | 0.354 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.8 | 179.3 | -173.5 | 176.3 | -3.9 | 0 | 0 | 110.3 | ||
| 39 | W | 98 | Very high | 93.7 | Very high | 93 Ų | 93 | 67.3 Ų | 67.3 | 35% | 0.352 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 150.4 | -175.1 | -63.6 | 92.3 | 0 | 0 | 0 | 111.6 | S26 H27 T37 Y58 I61 | S26-W39 WeakPolarHBondContact CA-O 3.23Å; H27-W39 PolarHBondContact N-O 2.88Å; H27-W39 VanDerWaalsContact N-O 3.08Å; H27-W39 PolarHBondContact O-N 2.94Å; T37-W39 PolarHBondContact OG1-NE1 2.85Å; W39-Y58 HydrophobicContact CB-CD1 3.8Å; W39-Y58 HydrophobicContact CB-CE1 3.62Å; W39-Y58 HydrophobicContact CD2-CD1 4.47Å; W39-Y58 HydrophobicContact CE3-CD1 4.14Å; W39-Y58 HydrophobicContact CG-CD1 4.38Å; W39-Y58 HydrophobicContact CG-CE1 4.26Å; W39-I61 HydrophobicContact CZ3-CG1 4.4Å |
| 40 | K | 96.9 | Very high | 93.2 | Very high | 105 Ų | 105 | 67 Ų | 67 | 46% | 0.457 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 141.4 | 172.7 | -69.3 | 179.1 | -175.2 | 172.3 | 0 | 108.8 | I25 Y58 D59 | I25-K40 WeakPolarHBondContact O-CA 3.3Å; K40-Y58 WeakPolarHBondContact O-CD1 3.49Å; K40-D59 WeakPolarHBondContact CB-OD2 3.26Å; K40-D59 PolarHBondContact O-N 2.96Å |
| 41 | A | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 169.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R24 I25 V56 K57 Y58 | R24-A41 CarbonylContact C-O 3.53Å; R24-A41 VanDerWaalsContact CA-O 3.29Å; R24-A41 WeakPolarHBondContact CA-O 3.45Å; I25-A41 HydrophobicContact CD1-CB 4.27Å; I25-A41 HydrophobicContact CG1-CB 3.89Å; I25-A41 PolarHBondContact N-O 3.35Å; I25-A41 PolarHBondContact O-N 3.2Å; A41-V56 HydrophobicContact CB-CG1 3.37Å; A41-K57 CarbonylContact C-O 3.6Å; A41-K57 WeakPolarHBondContact CA-O 3.34Å; A41-K57 VanDerWaalsContact CB-O 3.26Å; A41-K57 WeakPolarHBondContact CB-O 3.21Å; A41-Y58 HydrophobicContact CB-CD1 3.62Å; A41-Y58 HydrophobicContact CB-CE1 3.83Å; A41-Y58 HydrophobicContact CB-CG 4.07Å |
| 42 | I | 94.5 | Very high | 92.8 | Very high | 17 Ų | 17 | 65 Ų | 65 | 9% | 0.087 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 134.2 | 165.1 | -62.5 | 165.3 | 0 | 0 | 0 | 108.2 | R24 L44 K57 V85 M129 | R24-I42 HydrophobicContact CG-CG1 3.74Å; I42-L44 HydrophobicContact CB-CD2 4.46Å; I42-L44 HydrophobicContact CG2-CD2 4.11Å; I42-L44 PolarHBondContact O-N 3.09Å; I42-K57 PolarHBondContact N-O 3.24Å; I42-K57 PolarHBondContact O-N 3.26Å; I42-V85 HydrophobicContact CD1-CG1 4.35Å; I42-V85 HydrophobicContact CD1-CG2 4.45Å; I42-M129 HydrophobicContact CB-CE 4.14Å; I42-M129 HydrophobicContact CD1-CE 3.89Å; I42-M129 HydrophobicContact CD1-SD 3.79Å; I42-M129 HydrophobicContact CG2-CE 4.05Å |
| 43 | V | 94.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 112.9 | 171.6 | -176.8 | 0 | 0 | 0 | 0 | 108.6 | I20 V21 G22 C23 I25 Y54 L69 | I20-V43 HydrophobicContact CD1-CG2 4.12Å; I20-V43 HydrophobicContact CG1-CG1 4.35Å; I20-V43 HydrophobicContact CG1-CG2 4.32Å; I20-V43 WeakPolarHBondContact O-CB 3.44Å; V21-V43 HydrophobicContact CG2-CG1 4.23Å; G22-V43 WeakPolarHBondContact CA-O 3.39Å; G22-V43 PolarHBondContact N-O 3.41Å; C23-V43 PolarHBondContact O-N 3.02Å; C23-V43 VanDerWaalsContact O-N 3.09Å; I25-V43 HydrophobicContact CD1-CG2 3.93Å; I25-V43 HydrophobicContact CG1-CG2 4.29Å; I25-V43 HydrophobicContact CG2-CG2 3.88Å; V43-Y54 HydrophobicContact CG1-CD1 3.62Å; V43-Y54 HydrophobicContact CG1-CE1 4.5Å; V43-Y54 HydrophobicContact CG1-CG 4.26Å; V43-L69 HydrophobicContact CG2-CD1 3.98Å |
| 44 | L | 93.5 | Very high | 93 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -29.1 | -175.4 | -55.5 | -169.4 | 0 | 0 | 0 | 113.3 | I42 L55 K57 I64 V126 I128 M129 Y134 | I42-L44 HydrophobicContact CB-CD2 4.46Å; I42-L44 HydrophobicContact CG2-CD2 4.11Å; I42-L44 PolarHBondContact O-N 3.09Å; L44-L55 HydrophobicContact CB-CB 4.22Å; L44-L55 PolarHBondContact N-O 3.47Å; L44-K57 HydrophobicContact CD1-CB 4.03Å; L44-K57 HydrophobicContact CD2-CB 4Å; L44-K57 HydrophobicContact CG-CB 4.1Å; L44-I64 HydrophobicContact CD1-CD1 3.55Å; L44-I64 HydrophobicContact CD1-CG1 4.35Å; L44-I64 HydrophobicContact CD1-CG2 4.3Å; L44-V126 HydrophobicContact CD1-CG1 4.16Å; L44-V126 HydrophobicContact CD2-CG1 4.4Å; L44-I128 WeakPolarHBondContact O-CD1 3.26Å; L44-M129 HydrophobicContact CD2-CE 3.1Å; L44-Y134 HydrophobicContact CD1-CE1 3.85Å; L44-Y134 WeakPolarHBondContact CD1-OH 3.45Å |
| 45 | G | 92.4 | Very high | 93.1 | Very high | 14 Ų | 14 | 49.5 Ų | 49.5 | 14% | 0.144 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | 168.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y54 L55 | G45-Y54 WeakPolarHBondContact O-CA 3.11Å; G45-L55 PolarHBondContact O-N 3.11Å |
| 46 | Q | 92.9 | Very high | 93.1 | Very high | 79 Ų | 79 | 44.7 Ų | 44.7 | 37% | 0.369 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 130.8 | 174.5 | -175.8 | 180 | 32.9 | 0 | 0 | 106.4 | V21 P51 Y54 | V21-Q46 HydrophobicContact CG2-CB 3.88Å; Q46-P51 WeakPolarHBondContact CG-O 3.46Å; Q46-P51 PolarHBondContact NE2-O 2.93Å; Q46-Y54 HydrophobicContact CB-CD1 4.03Å; Q46-Y54 HydrophobicContact CB-CE1 4.06Å; Q46-Y54 HydrophobicContact CG-CD1 4.17Å; Q46-Y54 HydrophobicContact CG-CE1 3.92Å; Q46-Y54 PolarHBondContact NE2-OH 2.77Å |
| 47 | L | 88.9 | Confident | 93 | Very high | 7 Ų | 7 | 42.5 Ų | 42.5 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 129.8 | -175.8 | -67 | -175.9 | 0 | 0 | 0 | 110.2 | T49 N50 L53 L55 V197 Y198 | L47-T49 PolarHBondContact O-N 3.05Å; L47-N50 CarbonylContact O-C 3.55Å; L47-N50 PolarHBondContact O-N 3.18Å; L47-N50 VanDerWaalsContact O-O 3.09Å; L47-L53 HydrophobicContact CD1-CD2 3.79Å; L47-L53 HydrophobicContact CD1-CG 4.24Å; L47-L53 PolarHBondContact N-O 2.89Å; L47-L55 HydrophobicContact CD1-CD2 4.44Å; L47-L55 HydrophobicContact CD2-CD1 4Å; L47-L55 HydrophobicContact CD2-CD2 4.33Å; L47-L55 HydrophobicContact CD2-CG 4.08Å; L47-L55 HydrophobicContact CG-CD2 4.43Å; L47-L55 HydrophobicContact CG-CG 4.36Å; L47-V197 HydrophobicContact CD1-CB 3.69Å; L47-V197 HydrophobicContact CD1-CG2 3.56Å; L47-Y198 HydrophobicContact CD2-CD2 4.43Å; L47-Y198 HydrophobicContact CD2-CG 4.47Å |
| 48 | P | 84.8 | Confident | 93 | Very high | 98 Ų | 98 | 40.5 Ų | 40.5 | 64% | 0.636 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -27.2 | -173.2 | 23.1 | -32.5 | 0 | 0 | 0 | 113.3 | Y198 | P48-Y198 HydrophobicContact CG-CD2 4.46Š|
| 49 | T | 80.3 | Confident | 92.9 | Very high | 51 Ų | 51 | 37.1 Ų | 37.1 | 31% | 0.313 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -16 | -176.6 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | L47 I178 V197 | L47-T49 PolarHBondContact O-N 3.05Å; T49-I178 HydrophobicContact CG2-CD1 3.59Å; T49-I178 HydrophobicContact CG2-CG1 4.5Å; T49-I178 HydrophobicContact CG2-CG2 3.76Å; T49-V197 PolarHBondContact OG1-O 2.85Å |
| 50 | N | 86.1 | Confident | 92.7 | Very high | 28 Ų | 28 | 36.6 Ų | 36.6 | 15% | 0.15 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 88.1 | 171.8 | -176.1 | 1.3 | 0 | 0 | 0 | 108.3 | L47 S52 L53 E68 | L47-N50 CarbonylContact O-C 3.55Å; L47-N50 PolarHBondContact O-N 3.18Å; L47-N50 VanDerWaalsContact O-O 3.09Å; N50-S52 PolarHBondContact O-N 3.29Å; N50-S52 VanDerWaalsContact O-N 3.09Å; N50-S52 PolarHBondContact OD1-N 3.22Å; N50-L53 HydrophobicContact CB-CB 4.01Å; N50-L53 WeakPolarHBondContact O-CB 3.41Å; N50-L53 PolarHBondContact O-N 2.9Å; N50-E68 PolarHBondContact ND2-OE1 3.18Å; N50-E68 VanDerWaalsContact ND2-OE1 3.11Å |
| 51 | P | 89.6 | Confident | 92.7 | Very high | 78 Ų | 78 | 34.1 Ų | 34.1 | 51% | 0.506 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | -20.8 | -179 | -25.7 | 35.1 | 0 | 0 | 0 | 114 | Q46 L53 | Q46-P51 WeakPolarHBondContact CG-O 3.46Å; Q46-P51 PolarHBondContact NE2-O 2.93Å; P51-L53 PolarHBondContact O-N 2.9Å |
| 52 | S | 91.5 | Very high | 92.7 | Very high | 61 Ų | 61 | 37.4 Ų | 37.4 | 43% | 0.427 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | -22.1 | 174 | -60.7 | 0 | 0 | 0 | 0 | 112.5 | N50 Y54 E68 | N50-S52 PolarHBondContact O-N 3.29Å; N50-S52 VanDerWaalsContact O-N 3.09Å; N50-S52 PolarHBondContact OD1-N 3.22Å; S52-Y54 VanDerWaalsContact O-CD2 3.3Å; S52-Y54 WeakPolarHBondContact O-CD2 3.42Å; S52-Y54 WeakPolarHBondContact O-CE2 3.26Å; S52-E68 VanDerWaalsContact O-CA 3.26Å; S52-E68 WeakPolarHBondContact O-CA 3.36Å |
| 53 | L | 93.5 | Very high | 92.8 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.5 | -171.9 | -169.2 | 63.5 | 0 | 0 | 0 | 111.9 | L47 N50 P51 G66 E68 V197 K210 | L47-L53 HydrophobicContact CD1-CD2 3.79Å; L47-L53 HydrophobicContact CD1-CG 4.24Å; L47-L53 PolarHBondContact N-O 2.89Å; N50-L53 HydrophobicContact CB-CB 4.01Å; N50-L53 WeakPolarHBondContact O-CB 3.41Å; N50-L53 PolarHBondContact O-N 2.9Å; P51-L53 PolarHBondContact O-N 2.9Å; L53-G66 VanDerWaalsContact CD1-C 3.4Å; L53-E68 HydrophobicContact CB-CG 4.41Å; L53-E68 HydrophobicContact CD1-CG 3.9Å; L53-V197 HydrophobicContact CD2-CB 4.23Å; L53-V197 HydrophobicContact CD2-CG1 3.9Å; L53-V197 HydrophobicContact CD2-CG2 4.49Å; L53-K210 HydrophobicContact CD2-CD 4.49Å; L53-K210 HydrophobicContact CD2-CG 4.48Å |
| 54 | Y | 95.8 | Very high | 93 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 3% | 0.031 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 143.4 | 178.3 | -64.2 | -90.3 | 0 | 0 | 0 | 111.3 | I20 V43 G45 Q46 S52 G66 Q67 L69 Y70 | I20-Y54 HydrophobicContact CD1-CD1 4.13Å; I20-Y54 HydrophobicContact CD1-CE1 3.78Å; I20-Y54 HydrophobicContact CD1-CE2 4.4Å; I20-Y54 HydrophobicContact CG1-CD1 4.15Å; I20-Y54 HydrophobicContact CG1-CE1 3.62Å; V43-Y54 HydrophobicContact CG1-CD1 3.62Å; V43-Y54 HydrophobicContact CG1-CE1 4.5Å; V43-Y54 HydrophobicContact CG1-CG 4.26Å; G45-Y54 WeakPolarHBondContact O-CA 3.11Å; Q46-Y54 HydrophobicContact CB-CD1 4.03Å; Q46-Y54 HydrophobicContact CB-CE1 4.06Å; Q46-Y54 HydrophobicContact CG-CD1 4.17Å; Q46-Y54 HydrophobicContact CG-CE1 3.92Å; Q46-Y54 PolarHBondContact NE2-OH 2.77Å; S52-Y54 VanDerWaalsContact O-CD2 3.3Å; S52-Y54 WeakPolarHBondContact O-CD2 3.42Å; S52-Y54 WeakPolarHBondContact O-CE2 3.26Å; Y54-G66 CarbonylContact O-C 3.54Å; Y54-G66 WeakPolarHBondContact O-CA 3.23Å; Y54-Q67 PolarHBondContact N-O 2.99Å; Y54-Q67 PolarHBondContact O-N 2.9Å; Y54-L69 HydrophobicContact CD1-CD1 4.42Å; Y54-L69 HydrophobicContact CD2-CB 4.04Å; Y54-L69 HydrophobicContact CD2-CD1 3.8Å; Y54-L69 HydrophobicContact CD2-CG 3.87Å; Y54-L69 HydrophobicContact CE2-CB 4.4Å; Y54-L69 HydrophobicContact CE2-CD1 4.49Å; Y54-L69 HydrophobicContact CG-CD1 3.75Å; Y54-L69 HydrophobicContact CG-CG 4.21Å; Y54-Y70 HydrophobicContact CE2-CD2 4.05Å; Y54-Y70 HydrophobicContact CE2-CE2 4.03Å |
| 55 | L | 96.4 | Very high | 93.2 | Very high | 9 Ų | 9 | 39 Ų | 39 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 123.3 | 165.5 | -62.9 | -177.5 | 0 | 0 | 0 | 108.9 | L44 G45 L47 I64 Y65 F208 I217 | L44-L55 HydrophobicContact CB-CB 4.22Å; L44-L55 PolarHBondContact N-O 3.47Å; G45-L55 PolarHBondContact O-N 3.11Å; L47-L55 HydrophobicContact CD1-CD2 4.44Å; L47-L55 HydrophobicContact CD2-CD1 4Å; L47-L55 HydrophobicContact CD2-CD2 4.33Å; L47-L55 HydrophobicContact CD2-CG 4.08Å; L47-L55 HydrophobicContact CG-CD2 4.43Å; L47-L55 HydrophobicContact CG-CG 4.36Å; L55-I64 HydrophobicContact CB-CG2 4.16Å; L55-I64 HydrophobicContact CD2-CG2 4.3Å; L55-Y65 CarbonylContact C-O 3.56Å; L55-Y65 WeakPolarHBondContact CA-O 3.34Å; L55-F208 HydrophobicContact CD1-CE2 4.31Å; L55-I217 HydrophobicContact CD2-CD1 4.25Å; L55-I217 HydrophobicContact CD2-CG1 3.86Å |
| 56 | V | 96.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.7 | -170 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | I25 A41 Y58 Y65 L69 | I25-V56 HydrophobicContact CD1-CG1 4.35Å; A41-V56 HydrophobicContact CB-CG1 3.37Å; V56-Y58 HydrophobicContact CB-CE2 4.4Å; V56-Y58 HydrophobicContact CG1-CD2 4.24Å; V56-Y58 HydrophobicContact CG1-CE1 4.44Å; V56-Y58 HydrophobicContact CG1-CE2 3.83Å; V56-Y65 PolarHBondContact N-O 2.9Å; V56-Y65 PolarHBondContact O-N 2.93Å; V56-L69 HydrophobicContact CG2-CD1 4.27Å; V56-L69 HydrophobicContact CG2-CD2 4.17Å; V56-L69 HydrophobicContact CG2-CG 4.45Å |
| 57 | K | 96.3 | Very high | 93.5 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 15% | 0.148 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 114.1 | 170.5 | -168.5 | -175.5 | -165 | -46.5 | 0 | 109.7 | A41 I42 L44 I61 I64 M129 L132 | A41-K57 CarbonylContact C-O 3.6Å; A41-K57 WeakPolarHBondContact CA-O 3.34Å; A41-K57 VanDerWaalsContact CB-O 3.26Å; A41-K57 WeakPolarHBondContact CB-O 3.21Å; I42-K57 PolarHBondContact N-O 3.24Å; I42-K57 PolarHBondContact O-N 3.26Å; L44-K57 HydrophobicContact CD1-CB 4.03Å; L44-K57 HydrophobicContact CD2-CB 4Å; L44-K57 HydrophobicContact CG-CB 4.1Å; K57-I61 PolarHBondContact NZ-O 2.92Å; K57-I64 HydrophobicContact CB-CD1 3.75Å; K57-I64 HydrophobicContact CD-CD1 4.27Å; K57-I64 HydrophobicContact CG-CD1 3.79Å; K57-M129 HydrophobicContact CB-CE 4.49Å; K57-M129 HydrophobicContact CD-CE 4.02Å; K57-L132 HydrophobicContact CD-CD1 3.77Å |
| 58 | Y | 97 | Very high | 93.7 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 6% | 0.059 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 149.2 | 176.4 | -72.8 | -82.1 | 0 | 0 | 0 | 111.8 | H27 W39 K40 A41 V56 G60 I61 Y65 Q67 | H27-Y58 PolarHBondContact CE1-OH 3.43Å; H27-Y58 VanDerWaalsContact CE1-OH 3.32Å; H27-Y58 AromaticContact NE2-CE1 3.34Å; H27-Y58 VanDerWaalsContact NE2-CE1 3.34Å; H27-Y58 WeakPolarHBondContact NE2-CE1 3.28Å; H27-Y58 AromaticContact NE2-CZ 3.58Å; H27-Y58 PolarHBondContact NE2-OH 3.03Å; W39-Y58 HydrophobicContact CB-CD1 3.8Å; W39-Y58 HydrophobicContact CB-CE1 3.62Å; W39-Y58 HydrophobicContact CD2-CD1 4.47Å; W39-Y58 HydrophobicContact CE3-CD1 4.14Å; W39-Y58 HydrophobicContact CG-CD1 4.38Å; W39-Y58 HydrophobicContact CG-CE1 4.26Å; K40-Y58 WeakPolarHBondContact O-CD1 3.49Å; A41-Y58 HydrophobicContact CB-CD1 3.62Å; A41-Y58 HydrophobicContact CB-CE1 3.83Å; A41-Y58 HydrophobicContact CB-CG 4.07Å; V56-Y58 HydrophobicContact CB-CE2 4.4Å; V56-Y58 HydrophobicContact CG1-CD2 4.24Å; V56-Y58 HydrophobicContact CG1-CE1 4.44Å; V56-Y58 HydrophobicContact CG1-CE2 3.83Å; Y58-G60 PolarHBondContact O-N 3.04Å; Y58-I61 PolarHBondContact O-N 3.08Å; Y58-Y65 AromaticContact CD2-CD2 3.49Å; Y58-Y65 HydrophobicContact CD2-CD2 3.49Å; Y58-Y65 VanDerWaalsContact CD2-CD2 3.49Å; Y58-Y65 AromaticContact CD2-CE2 3.89Å; Y58-Y65 HydrophobicContact CD2-CE2 3.89Å; Y58-Y65 HydrophobicContact CD2-CG 4.21Å; Y58-Y65 AromaticContact CE2-CD2 3.87Å; Y58-Y65 HydrophobicContact CE2-CD2 3.87Å; Y58-Y65 HydrophobicContact CE2-CG 4.13Å; Y58-Q67 PolarHBondContact OH-OE1 3.04Å |
| 59 | D | 95 | Very high | 94.3 | Very high | 72 Ų | 72 | 33.3 Ų | 33.3 | 39% | 0.385 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | 132 | 174.1 | -69 | -14.7 | 0 | 0 | 0 | 110 | R24 K40 I61 | R24-D59 IonicContact CZ-OD1 3.56Å; R24-D59 IonicContact CZ-OD2 3.4Å; R24-D59 IonicContact NH1-OD1 3.19Å; R24-D59 PolarHBondContact NH1-OD1 2.89Å; R24-D59 IonicContact NH1-OD2 2.99Å; R24-D59 IonicContact NH2-OD1 2.99Å; R24-D59 PolarHBondContact NH2-OD1 3.32Å; R24-D59 IonicContact NH2-OD2 2.9Å; R24-D59 PolarHBondContact NH2-OD2 2.79Å; K40-D59 WeakPolarHBondContact CB-OD2 3.26Å; K40-D59 PolarHBondContact O-N 2.96Å; D59-I61 PolarHBondContact O-N 2.89Å |
| 60 | G | 94.6 | Very high | 95 | Very high | 82 Ų | 82 | 36.8 Ų | 36.8 | 85% | 0.845 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.5 | 6.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y58 | Y58-G60 PolarHBondContact O-N 3.04Š|
| 61 | I | 96.1 | Very high | 95.4 | Very high | 54 Ų | 54 | 38.5 Ų | 38.5 | 28% | 0.277 | 22% | 0.223 | S | C | . | . | trans | -121.5 | 133.1 | 178.6 | -51 | -66 | 0 | 0 | 0 | 109.9 | W39 K57 Y58 D59 N63 Y65 | W39-I61 HydrophobicContact CZ3-CG1 4.4Å; K57-I61 PolarHBondContact NZ-O 2.92Å; Y58-I61 PolarHBondContact O-N 3.08Å; D59-I61 PolarHBondContact O-N 2.89Å; I61-N63 HydrophobicContact CG2-CB 4.08Å; I61-Y65 HydrophobicContact CG2-CE2 3.72Å | ||
| 62 | D | 96.3 | Very high | 95.6 | Very high | 69 Ų | 69 | 36.2 Ų | 36.2 | 37% | 0.369 | 21% | 0.207 | S | C | . | . | trans | -86 | -25.5 | -176.6 | -59.1 | -29.6 | 0 | 0 | 0 | 113.2 | Y144 A145 Y146 | D62-Y144 HydrophobicContact CB-CD1 4.12Å; D62-Y144 WeakPolarHBondContact O-CA 3.46Å; D62-A145 PolarHBondContact O-N 3.27Å; D62-Y146 HydrophobicContact CB-CE1 3.73Å; D62-Y146 HydrophobicContact CB-CE2 4.18Å; D62-Y146 VanDerWaalsContact CB-CZ 3.46Å; D62-Y146 WeakPolarHBondContact CB-OH 3.24Å; D62-Y146 VanDerWaalsContact CG-OH 3.27Å; D62-Y146 WeakPolarHBondContact OD2-CE1 3.29Å; D62-Y146 PolarHBondContact OD2-OH 3.09Å | ||
| 63 | N | 97.2 | Very high | 95.8 | Very high | 26 Ų | 26 | 40.5 Ų | 40.5 | 14% | 0.139 | 23% | 0.225 | C | C | . | . | B | Isolated β-bridge | trans | -64.3 | 143.5 | 175.7 | -76.3 | -12.7 | 0 | 0 | 0 | 111.7 | I61 Y65 Y144 H216 | I61-N63 HydrophobicContact CG2-CB 4.08Å; N63-Y65 HydrophobicContact CB-CD2 4.36Å; N63-Y65 HydrophobicContact CB-CE1 4.4Å; N63-Y65 HydrophobicContact CB-CE2 3.62Å; N63-Y65 WeakPolarHBondContact O-CD2 3.21Å; N63-Y65 WeakPolarHBondContact O-CE2 3.37Å; N63-Y144 WeakPolarHBondContact OD1-CD1 3.38Å; N63-Y144 WeakPolarHBondContact OD1-CE1 3.48Å; N63-H216 PolarHBondContact ND2-NE2 3.4Å |
| 64 | I | 97.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 126.3 | 169.5 | -56.3 | -55.5 | 0 | 0 | 0 | 108.9 | L44 L55 K57 Y134 L143 A145 | L44-I64 HydrophobicContact CD1-CD1 3.55Å; L44-I64 HydrophobicContact CD1-CG1 4.35Å; L44-I64 HydrophobicContact CD1-CG2 4.3Å; L55-I64 HydrophobicContact CB-CG2 4.16Å; L55-I64 HydrophobicContact CD2-CG2 4.3Å; K57-I64 HydrophobicContact CB-CD1 3.75Å; K57-I64 HydrophobicContact CD-CD1 4.27Å; K57-I64 HydrophobicContact CG-CD1 3.79Å; I64-Y134 HydrophobicContact CD1-CE1 4.43Å; I64-Y134 HydrophobicContact CG1-CD1 4.15Å; I64-Y134 HydrophobicContact CG1-CE1 3.9Å; I64-Y134 HydrophobicContact CG2-CE1 4.29Å; I64-L143 HydrophobicContact CB-CB 4.31Å; I64-L143 HydrophobicContact CB-CD2 3.84Å; I64-L143 HydrophobicContact CB-CG 3.88Å; I64-L143 HydrophobicContact CG1-CD2 4.45Å; I64-L143 HydrophobicContact CG1-CG 4.21Å; I64-L143 HydrophobicContact CG2-CD2 3.79Å; I64-L143 HydrophobicContact CG2-CG 4.4Å; I64-L143 PolarHBondContact N-O 2.81Å; I64-A145 HydrophobicContact CD1-CB 3.64Å; I64-A145 HydrophobicContact CG1-CB 3.88Å |
| 65 | Y | 97.5 | Very high | 95.9 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 11% | 0.11 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 143 | -176.3 | -63.6 | -87.1 | 0 | 0 | 0 | 110.8 | L55 V56 Y58 I61 N63 I215 H216 | L55-Y65 CarbonylContact C-O 3.56Å; L55-Y65 WeakPolarHBondContact CA-O 3.34Å; V56-Y65 PolarHBondContact N-O 2.9Å; V56-Y65 PolarHBondContact O-N 2.93Å; Y58-Y65 AromaticContact CD2-CD2 3.49Å; Y58-Y65 HydrophobicContact CD2-CD2 3.49Å; Y58-Y65 VanDerWaalsContact CD2-CD2 3.49Å; Y58-Y65 AromaticContact CD2-CE2 3.89Å; Y58-Y65 HydrophobicContact CD2-CE2 3.89Å; Y58-Y65 HydrophobicContact CD2-CG 4.21Å; Y58-Y65 AromaticContact CE2-CD2 3.87Å; Y58-Y65 HydrophobicContact CE2-CD2 3.87Å; Y58-Y65 HydrophobicContact CE2-CG 4.13Å; I61-Y65 HydrophobicContact CG2-CE2 3.72Å; N63-Y65 HydrophobicContact CB-CD2 4.36Å; N63-Y65 HydrophobicContact CB-CE1 4.4Å; N63-Y65 HydrophobicContact CB-CE2 3.62Å; N63-Y65 WeakPolarHBondContact O-CD2 3.21Å; N63-Y65 WeakPolarHBondContact O-CE2 3.37Å; Y65-I215 WeakPolarHBondContact CA-O 3.46Å; Y65-I215 HydrophobicContact CD1-CB 3.94Å; Y65-I215 HydrophobicContact CD1-CD1 3.49Å; Y65-I215 VanDerWaalsContact CD1-CD1 3.49Å; Y65-I215 HydrophobicContact CD1-CG1 3.56Å; Y65-I215 HydrophobicContact CE1-CD1 3.5Å; Y65-I215 VanDerWaalsContact CE1-CD1 3.5Å; Y65-I215 HydrophobicContact CE1-CG1 3.79Å; Y65-H216 AromaticContact CE1-CD2 3.71Å; Y65-H216 AromaticContact CE1-CE1 3.98Å; Y65-H216 AromaticContact CE1-NE2 3.48Å; Y65-H216 WeakPolarHBondContact CE1-NE2 3.5Å |
| 66 | G | 96.3 | Very high | 96 | Very high | 2 Ų | 2 | 45.5 Ų | 45.5 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 110.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | L53 Y54 K210 I215 | L53-G66 VanDerWaalsContact CD1-C 3.4Å; Y54-G66 CarbonylContact O-C 3.54Å; Y54-G66 WeakPolarHBondContact O-CA 3.23Å; G66-K210 WeakPolarHBondContact O-CE 3.15Å; G66-I215 PolarHBondContact N-O 3.26Å |
| 67 | Q | 95.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.019 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 137.5 | -172.3 | -136.1 | 159.2 | 46.6 | 0 | 0 | 113.4 | Y54 Y58 L69 I75 I215 | Y54-Q67 PolarHBondContact N-O 2.99Å; Y54-Q67 PolarHBondContact O-N 2.9Å; Y58-Q67 PolarHBondContact OH-OE1 3.04Å; Q67-L69 HydrophobicContact CB-CD2 4.27Å; Q67-L69 PolarHBondContact O-N 2.64Å; Q67-I75 HydrophobicContact CG-CD1 3.93Å; Q67-I215 VanDerWaalsContact NE2-CG2 3.35Å |
| 68 | E | 94.7 | Very high | 96 | Very high | 68 Ų | 68 | 51.9 Ų | 51.9 | 32% | 0.318 | 28% | 0.284 | S | S | . | . | trans | -88 | 79.1 | 175 | -55.7 | -170.4 | 163 | 0 | 0 | 110 | N50 S52 L53 Y70 S71 D72 | N50-E68 PolarHBondContact ND2-OE1 3.18Å; N50-E68 VanDerWaalsContact ND2-OE1 3.11Å; S52-E68 VanDerWaalsContact O-CA 3.26Å; S52-E68 WeakPolarHBondContact O-CA 3.36Å; L53-E68 HydrophobicContact CB-CG 4.41Å; L53-E68 HydrophobicContact CD1-CG 3.9Å; E68-Y70 PolarHBondContact O-N 3.08Å; E68-S71 WeakPolarHBondContact CB-OG 3.45Å; E68-S71 PolarHBondContact O-N 2.68Å; E68-S71 PolarHBondContact OE2-OG 2.79Å; E68-D72 WeakPolarHBondContact O-CB 3.36Å; E68-D72 PolarHBondContact O-N 2.88Å | ||
| 69 | L | 96.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -25.4 | -164.9 | -68.2 | 175.9 | 0 | 0 | 0 | 115.8 | I20 I25 V43 Y54 V56 Q67 I75 L78 | I20-L69 HydrophobicContact CD1-CD1 3.6Å; I25-L69 HydrophobicContact CD1-CD1 3.92Å; I25-L69 HydrophobicContact CD1-CD2 3.94Å; V43-L69 HydrophobicContact CG2-CD1 3.98Å; Y54-L69 HydrophobicContact CD1-CD1 4.42Å; Y54-L69 HydrophobicContact CD2-CB 4.04Å; Y54-L69 HydrophobicContact CD2-CD1 3.8Å; Y54-L69 HydrophobicContact CD2-CG 3.87Å; Y54-L69 HydrophobicContact CE2-CB 4.4Å; Y54-L69 HydrophobicContact CE2-CD1 4.49Å; Y54-L69 HydrophobicContact CG-CD1 3.75Å; Y54-L69 HydrophobicContact CG-CG 4.21Å; V56-L69 HydrophobicContact CG2-CD1 4.27Å; V56-L69 HydrophobicContact CG2-CD2 4.17Å; V56-L69 HydrophobicContact CG2-CG 4.45Å; Q67-L69 HydrophobicContact CB-CD2 4.27Å; Q67-L69 PolarHBondContact O-N 2.64Å; L69-I75 HydrophobicContact CD2-CD1 3.79Å; L69-L78 HydrophobicContact CB-CD2 4.06Å |
| 70 | Y | 95 | Very high | 95.9 | Very high | 125 Ų | 125 | 57 Ų | 57 | 49% | 0.49 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -13.3 | -177 | -63.7 | -76.4 | 0 | 0 | 0 | 114.1 | L17 I20 Y54 E68 L78 | L17-Y70 HydrophobicContact CD2-CE2 4.37Å; I20-Y70 HydrophobicContact CD1-CE2 3.99Å; I20-Y70 WeakPolarHBondContact CG2-OH 3.49Å; Y54-Y70 HydrophobicContact CE2-CD2 4.05Å; Y54-Y70 HydrophobicContact CE2-CE2 4.03Å; E68-Y70 PolarHBondContact O-N 3.08Å; Y70-L78 HydrophobicContact CD1-CD2 4.03Å; Y70-L78 HydrophobicContact CE1-CD2 3.79Å |
| 71 | S | 94.1 | Very high | 95.7 | Very high | 64 Ų | 64 | 55.4 Ų | 55.4 | 45% | 0.448 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -11 | -174.6 | 48.7 | 0 | 0 | 0 | 0 | 113.9 | E68 D73 | E68-S71 WeakPolarHBondContact CB-OG 3.45Å; E68-S71 PolarHBondContact O-N 2.68Å; E68-S71 PolarHBondContact OE2-OG 2.79Å; S71-D73 PolarHBondContact O-N 2.89Å |
| 72 | D | 94.6 | Very high | 94.9 | Very high | 29 Ų | 29 | 57.2 Ų | 57.2 | 16% | 0.155 | 30% | 0.295 | C | S | . | . | trans | -75.7 | 109.8 | 174.6 | -166.9 | -33.7 | 0 | 0 | 0 | 110.2 | E68 R74 I75 | E68-D72 WeakPolarHBondContact O-CB 3.36Å; E68-D72 PolarHBondContact O-N 2.88Å; D72-R74 PolarHBondContact O-N 2.83Å; D72-R74 VanDerWaalsContact OD1-CB 3.27Å; D72-R74 WeakPolarHBondContact OD1-CB 3.14Å; D72-R74 WeakPolarHBondContact OD1-CG 3.27Å; D72-R74 IonicContact OD1-CZ 2.64Å; D72-R74 PolarHBondContact OD1-N 2.91Å; D72-R74 VanDerWaalsContact OD1-N 3.08Å; D72-R74 IonicContact OD1-NE 2.75Å; D72-R74 PolarHBondContact OD1-NE 2.64Å; D72-R74 IonicContact OD1-NH2 3.5Å; D72-R74 IonicContact OD2-CZ 3.74Å; D72-R74 IonicContact OD2-NE 3.69Å; D72-R74 PolarHBondContact OD2-NE 2.75Å; D72-R74 IonicContact OD2-NH2 3.96Å; D72-R74 PolarHBondContact OD2-NH2 2.86Å; D72-I75 HydrophobicContact CB-CD1 4.04Å; D72-I75 HydrophobicContact CB-CG1 4.17Å; D72-I75 WeakPolarHBondContact O-CB 3.48Å; D72-I75 PolarHBondContact O-N 3.13Å | ||
| 73 | D | 94.9 | Very high | 93.6 | Very high | 151 Ų | 151 | 59 Ų | 59 | 81% | 0.807 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -17.5 | -177.6 | -67.4 | -32.9 | 0 | 0 | 0 | 114 | S71 I75 | S71-D73 PolarHBondContact O-N 2.89Å; D73-I75 VanDerWaalsContact C-N 3.27Å |
| 74 | R | 96.1 | Very high | 91.9 | Very high | 44 Ų | 44 | 64.4 Ų | 64.4 | 17% | 0.166 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -20 | 175.3 | -58.6 | 172.4 | -71.1 | -172.7 | -1.4 | 112 | W29 K30 E31 D72 G213 | W29-R74 CarbonylContact C-O 3.15Å; W29-R74 WeakPolarHBondContact CA-O 3.45Å; W29-R74 HydrophobicContact CD2-CB 4.14Å; W29-R74 HydrophobicContact CE3-CB 3.9Å; W29-R74 HydrophobicContact CH2-CB 3.73Å; W29-R74 HydrophobicContact CH2-CG 4.33Å; W29-R74 VanDerWaalsContact CH2-CZ 3.42Å; W29-R74 HydrophobicContact CZ2-CB 3.96Å; W29-R74 HydrophobicContact CZ2-CG 4.38Å; W29-R74 HydrophobicContact CZ3-CB 3.68Å; K30-R74 PolarHBondContact N-O 2.87Å; K30-R74 WeakPolarHBondContact O-CA 3.39Å; K30-R74 WeakPolarHBondContact O-CB 3.37Å; K30-R74 WeakPolarHBondContact O-CG 3.43Å; E31-R74 IonicContact OE1-NH1 2.86Å; E31-R74 WeakPolarHBondContact OE2-CD 3.35Å; E31-R74 IonicContact OE2-NE 3.63Å; E31-R74 IonicContact OE2-NH1 3.4Å; E31-R74 PolarHBondContact OE2-NH1 3.4Å; D72-R74 PolarHBondContact O-N 2.83Å; D72-R74 VanDerWaalsContact OD1-CB 3.27Å; D72-R74 WeakPolarHBondContact OD1-CB 3.14Å; D72-R74 WeakPolarHBondContact OD1-CG 3.27Å; D72-R74 IonicContact OD1-CZ 2.64Å; D72-R74 PolarHBondContact OD1-N 2.91Å; D72-R74 VanDerWaalsContact OD1-N 3.08Å; D72-R74 IonicContact OD1-NE 2.75Å; D72-R74 PolarHBondContact OD1-NE 2.64Å; D72-R74 IonicContact OD1-NH2 3.5Å; D72-R74 IonicContact OD2-CZ 3.74Å; D72-R74 IonicContact OD2-NE 3.69Å; D72-R74 PolarHBondContact OD2-NE 2.75Å; D72-R74 IonicContact OD2-NH2 3.96Å; D72-R74 PolarHBondContact OD2-NH2 2.86Å; R74-G213 PolarHBondContact NH1-O 3.4Å |
| 75 | I | 96.9 | Very high | 90.3 | Very high | 19 Ų | 19 | 66.3 Ų | 66.3 | 10% | 0.097 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 117 | 178.7 | -64.2 | 179.2 | 0 | 0 | 0 | 109.5 | H27 W29 Q67 L69 D72 D73 L78 | H27-I75 HydrophobicContact CB-CG2 3.89Å; W29-I75 HydrophobicContact CE3-CG1 3.94Å; W29-I75 HydrophobicContact CZ3-CG1 3.83Å; Q67-I75 HydrophobicContact CG-CD1 3.93Å; L69-I75 HydrophobicContact CD2-CD1 3.79Å; D72-I75 HydrophobicContact CB-CD1 4.04Å; D72-I75 HydrophobicContact CB-CG1 4.17Å; D72-I75 WeakPolarHBondContact O-CB 3.48Å; D72-I75 PolarHBondContact O-N 3.13Å; D73-I75 VanDerWaalsContact C-N 3.27Å; I75-L78 HydrophobicContact CG2-CB 4.23Å |
| 76 | L | 96.9 | Very high | 89.1 | Confident | 65 Ų | 65 | 71.3 Ų | 71.3 | 34% | 0.34 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 148.4 | 178.7 | -54.4 | 175.5 | 0 | 0 | 0 | 109.9 | H27 C28 K30 L78 | H27-L76 WeakPolarHBondContact CB-O 3.47Å; C28-L76 HydrophobicContact CB-CB 3.91Å; C28-L76 PolarHBondContact N-O 2.9Å; C28-L76 PolarHBondContact O-N 2.71Å; K30-L76 HydrophobicContact CB-CD1 4.02Å; K30-L76 HydrophobicContact CD-CD1 4.48Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 2.79Å |
| 77 | N | 96.4 | Very high | 88 | Confident | 122 Ų | 122 | 74.2 Ų | 74.2 | 65% | 0.652 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 53.1 | 41.9 | 171.8 | -62.3 | -37.9 | 0 | 0 | 0 | 114.6 | K79 | N77-K79 PolarHBondContact O-N 3.32Å |
| 78 | L | 97.5 | Very high | 87 | Confident | 47 Ų | 47 | 77 Ų | 77 | 25% | 0.246 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 125.1 | 176.3 | 179.9 | 66 | 0 | 0 | 0 | 111.1 | I25 H27 L69 Y70 I75 L76 | I25-L78 HydrophobicContact CB-CD1 4.14Å; I25-L78 HydrophobicContact CD1-CD1 4.16Å; I25-L78 HydrophobicContact CG2-CD1 4.48Å; H27-L78 HydrophobicContact CB-CB 4.4Å; H27-L78 HydrophobicContact CB-CD1 4.07Å; L69-L78 HydrophobicContact CB-CD2 4.06Å; Y70-L78 HydrophobicContact CD1-CD2 4.03Å; Y70-L78 HydrophobicContact CE1-CD2 3.79Å; I75-L78 HydrophobicContact CG2-CB 4.23Å; L76-L78 VanDerWaalsContact C-N 3.31Å; L76-L78 PolarHBondContact O-N 2.79Å |
| 79 | K | 95.8 | Very high | 86.2 | Confident | 130 Ų | 130 | 80.8 Ų | 80.8 | 57% | 0.565 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 127.3 | 176.9 | -66.8 | 170.8 | -173.2 | 174.6 | 0 | 109.5 | I25 S26 N77 | I25-K79 CarbonylContact C-O 3.55Å; I25-K79 VanDerWaalsContact CA-O 3.28Å; I25-K79 WeakPolarHBondContact CA-O 3.48Å; S26-K79 PolarHBondContact N-O 3.42Å; S26-K79 PolarHBondContact O-N 2.96Å; N77-K79 PolarHBondContact O-N 3.32Å |
| 80 | V | 94.1 | Very high | 85.3 | Confident | 64 Ų | 64 | 82.5 Ų | 82.5 | 39% | 0.388 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 119.5 | 166.9 | -174.3 | 0 | 0 | 0 | 0 | 107.7 | I20 C23 I25 | I20-V80 HydrophobicContact CG2-CG1 4.42Å; I20-V80 HydrophobicContact CG2-CG2 3.57Å; C23-V80 HydrophobicContact CB-CG1 3.74Å; I25-V80 HydrophobicContact CG2-CG2 4.5Å |
| 81 | L | 90.9 | Very high | 84.6 | Confident | 49 Ų | 49 | 83.3 Ų | 83.3 | 26% | 0.257 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 151.8 | -179.9 | -57.2 | -179.6 | 0 | 0 | 0 | 109.8 | R24 | R24-L81 HydrophobicContact CB-CB 3.99Å; R24-L81 HydrophobicContact CB-CD1 4.13Å; R24-L81 HydrophobicContact CB-CG 4.47Å; R24-L81 WeakPolarHBondContact O-CB 3.14Å; R24-L81 PolarHBondContact O-N 3.28Å |
| 82 | P | 79.3 | Confident | 84.4 | Confident | 92 Ų | 92 | 83 Ų | 83 | 60% | 0.597 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -54 | 138.6 | 176.6 | -22.6 | 32.1 | 0 | 0 | 0 | 111.2 | I84 | P82-I84 PolarHBondContact O-N 2.85Š|
| 83 | P | 68.2 | Low | 84.2 | Confident | 107 Ų | 107 | 84.7 Ų | 84.7 | 70% | 0.695 | 46% | 0.455 | S | S | * | . | trans | -66.1 | 109.4 | 179.9 | 25.1 | -31.5 | 0 | 0 | 0 | 109.7 | ||||
| 84 | I | 62.3 | Low | 84.1 | Confident | 139 Ų | 139 | 84.4 Ų | 84.4 | 71% | 0.713 | 45% | 0.449 | S | S | * | . | trans | -119.8 | -5.6 | 172.3 | -59.5 | 171.2 | 0 | 0 | 0 | 110.2 | P82 V86 | P82-I84 PolarHBondContact O-N 2.85Å; I84-V86 PolarHBondContact O-N 3.46Å | ||
| 85 | V | 64.3 | Low | 83.9 | Confident | 41 Ų | 41 | 83.4 Ų | 83.4 | 25% | 0.248 | 45% | 0.447 | C | S | . | . | trans | -76.5 | 100.8 | -172.9 | -163.8 | 0 | 0 | 0 | 0 | 109.8 | R24 I42 F87 | R24-V85 HydrophobicContact CG-CG2 3.48Å; R24-V85 VanDerWaalsContact CG-CG2 3.48Å; I42-V85 HydrophobicContact CD1-CG1 4.35Å; I42-V85 HydrophobicContact CD1-CG2 4.45Å; V85-F87 HydrophobicContact CB-CE1 3.95Å; V85-F87 HydrophobicContact CB-CE2 4.46Å; V85-F87 HydrophobicContact CB-CZ 3.86Å; V85-F87 HydrophobicContact CG1-CD1 3.71Å; V85-F87 HydrophobicContact CG1-CE1 3.29Å; V85-F87 HydrophobicContact CG1-CG 4.49Å; V85-F87 HydrophobicContact CG1-CZ 3.74Å | ||
| 86 | V | 71.3 | Confident | 83.8 | Confident | 132 Ų | 132 | 82.6 Ų | 82.6 | 80% | 0.8 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -76.9 | 116.1 | 162.8 | -179.9 | 0 | 0 | 0 | 0 | 106.5 | I84 | I84-V86 PolarHBondContact O-N 3.46Š|
| 87 | F | 73.3 | Confident | 83.5 | Confident | 63 Ų | 63 | 88.6 Ų | 88.6 | 28% | 0.276 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -82.4 | 122.9 | 177.7 | -61.4 | -65.2 | 0 | 0 | 0 | 109.7 | V85 I128 M129 | V85-F87 HydrophobicContact CB-CE1 3.95Å; V85-F87 HydrophobicContact CB-CE2 4.46Å; V85-F87 HydrophobicContact CB-CZ 3.86Å; V85-F87 HydrophobicContact CG1-CD1 3.71Å; V85-F87 HydrophobicContact CG1-CE1 3.29Å; V85-F87 HydrophobicContact CG1-CG 4.49Å; V85-F87 HydrophobicContact CG1-CZ 3.74Å; F87-I128 WeakPolarHBondContact CB-O 3.23Å; F87-I128 HydrophobicContact CD1-CG2 4.01Å; F87-I128 WeakPolarHBondContact CD1-O 3.48Å; F87-I128 HydrophobicContact CD2-CG2 3.83Å; F87-I128 HydrophobicContact CE1-CG2 3.56Å; F87-I128 HydrophobicContact CE2-CG2 3.36Å; F87-I128 HydrophobicContact CG-CG2 4.14Å; F87-I128 VanDerWaalsContact CG-O 3.23Å; F87-I128 WeakPolarHBondContact CG-O 3.4Å; F87-I128 HydrophobicContact CZ-CG2 3.22Å; F87-M129 HydrophobicContact CD1-CG 3.59Å; F87-M129 HydrophobicContact CE1-CG 3.64Å |
| 88 | P | 74.5 | Confident | 83.3 | Confident | 62 Ų | 62 | 85.2 Ų | 85.2 | 40% | 0.403 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -63.4 | 145.7 | 177.9 | 24.7 | -31.8 | 0 | 0 | 0 | 110.8 | D131 | P88-D131 HydrophobicContact CG-CB 3.83Å; P88-D131 WeakPolarHBondContact CG-OD2 3.2Å |
| 89 | Q | 77.6 | Confident | 83.1 | Confident | 149 Ų | 149 | 83 Ų | 83 | 70% | 0.696 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 153.4 | 173.7 | -66.6 | -65.4 | -23.1 | 0 | 0 | 110.5 | R91 | Q89-R91 PolarHBondContact O-N 2.97Š|
| 90 | V | 77.2 | Confident | 82.8 | Confident | 38 Ų | 38 | 79.2 Ų | 79.2 | 23% | 0.23 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 122 | 175.8 | -175.9 | 0 | 0 | 0 | 0 | 109.1 | A93 A96 Q125 K130 L149 | V90-A93 HydrophobicContact CG1-CB 4.4Å; V90-A96 HydrophobicContact CG1-CB 3.94Å; V90-Q125 VanDerWaalsContact CG2-NE2 3.32Å; V90-K130 HydrophobicContact CG2-CB 3.45Å; V90-K130 VanDerWaalsContact CG2-CB 3.45Å; V90-K130 HydrophobicContact CG2-CD 3.87Å; V90-K130 HydrophobicContact CG2-CG 4.3Å; V90-L149 HydrophobicContact CG1-CD1 4.41Å |
| 91 | R | 80.7 | Confident | 82.6 | Confident | 142 Ų | 142 | 78.3 Ų | 78.3 | 54% | 0.536 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -75.1 | -32.5 | 179.7 | -72.3 | 176.6 | -70.9 | 157 | 4.1 | 113.1 | Q89 D150 | Q89-R91 PolarHBondContact O-N 2.97Å; R91-D150 IonicContact CZ-OD1 3.97Å; R91-D150 IonicContact CZ-OD2 3.57Å; R91-D150 IonicContact NH1-OD1 3.43Å; R91-D150 PolarHBondContact NH1-OD1 2.83Å; R91-D150 IonicContact NH1-OD2 2.86Å; R91-D150 IonicContact NH2-OD1 3.26Å; R91-D150 PolarHBondContact NH2-OD1 3.33Å; R91-D150 IonicContact NH2-OD2 3.99Å; R91-D150 PolarHBondContact NH2-OD2 2.86Å |
| 92 | D | 90 | Very high | 82.6 | Confident | 57 Ų | 57 | 78.9 Ų | 78.9 | 31% | 0.305 | 43% | 0.428 | S | S | . | . | trans | -140.5 | 94.4 | 179.2 | -171.6 | -24 | 0 | 0 | 0 | 110.1 | H94 L95 A96 | D92-H94 VanDerWaalsContact C-N 3.31Å; D92-H94 PolarHBondContact O-N 2.76Å; D92-H94 PolarHBondContact OD1-N 2.84Å; D92-L95 HydrophobicContact CB-CB 4.12Å; D92-L95 VanDerWaalsContact CG-CB 3.43Å; D92-L95 PolarHBondContact OD1-N 2.83Å; D92-L95 WeakPolarHBondContact OD2-CB 3.35Å; D92-A96 WeakPolarHBondContact O-CB 3.47Å; D92-A96 PolarHBondContact O-N 2.71Å | ||
| 93 | A | 90.4 | Very high | 83.2 | Confident | 66 Ų | 66 | 76.2 Ų | 76.2 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.8 | -29.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V90 R97 | V90-A93 HydrophobicContact CG1-CB 4.4Å; A93-R97 WeakPolarHBondContact O-CB 3.49Å; A93-R97 PolarHBondContact O-N 2.82Å; A93-R97 VanDerWaalsContact O-N 3.08Å |
| 94 | H | 92.5 | Very high | 84.5 | Confident | 144 Ų | 144 | 71.1 Ų | 71.1 | 67% | 0.667 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -71.9 | -48.8 | 179.9 | -73.3 | -82 | 0 | 0 | 0 | 110.6 | D92 R97 A98 | D92-H94 VanDerWaalsContact C-N 3.31Å; D92-H94 PolarHBondContact O-N 2.76Å; D92-H94 PolarHBondContact OD1-N 2.84Å; H94-R97 PolarHBondContact O-N 2.85Å; H94-A98 WeakPolarHBondContact O-CB 3.49Å; H94-A98 PolarHBondContact O-N 3.38Å |
| 95 | L | 92.6 | Very high | 86.2 | Confident | 23 Ų | 23 | 67.7 Ų | 67.7 | 12% | 0.12 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 175 | -178.5 | 59.7 | 0 | 0 | 0 | 111.5 | D92 R97 A98 L99 L149 Y152 M159 | D92-L95 HydrophobicContact CB-CB 4.12Å; D92-L95 VanDerWaalsContact CG-CB 3.43Å; D92-L95 PolarHBondContact OD1-N 2.83Å; D92-L95 WeakPolarHBondContact OD2-CB 3.35Å; L95-R97 VanDerWaalsContact C-N 3.29Å; L95-R97 PolarHBondContact O-N 2.92Å; L95-A98 PolarHBondContact O-N 2.82Å; L95-A98 VanDerWaalsContact O-N 3.09Å; L95-L99 HydrophobicContact CD1-CG 4.31Å; L95-L99 HydrophobicContact CG-CD1 4.4Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 3.25Å; L95-L149 HydrophobicContact CB-CD2 4.05Å; L95-L149 HydrophobicContact CD2-CD2 3.69Å; L95-L149 HydrophobicContact CG-CD2 3.61Å; L95-Y152 HydrophobicContact CD1-CD1 4.21Å; L95-Y152 HydrophobicContact CD1-CE1 4.05Å; L95-Y152 HydrophobicContact CD2-CD1 3.51Å; L95-Y152 HydrophobicContact CD2-CE1 3.93Å; L95-Y152 HydrophobicContact CD2-CG 4.11Å; L95-Y152 HydrophobicContact CG-CD1 4.48Å; L95-M159 HydrophobicContact CD1-CE 4.44Å |
| 96 | A | 93.3 | Very high | 87.7 | Confident | 2 Ų | 2 | 66 Ų | 66 | 2% | 0.017 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.1 | -46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V90 D92 F133 L149 | V90-A96 HydrophobicContact CG1-CB 3.94Å; D92-A96 WeakPolarHBondContact O-CB 3.47Å; D92-A96 PolarHBondContact O-N 2.71Å; A96-F133 HydrophobicContact CB-CE1 4.02Å; A96-F133 HydrophobicContact CB-CZ 3.66Å; A96-L149 HydrophobicContact CB-CD1 4.4Å; A96-L149 HydrophobicContact CB-CD2 4.44Å |
| 97 | R | 91.5 | Very high | 88.9 | Confident | 191 Ų | 191 | 62 Ų | 62 | 72% | 0.721 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -67.9 | -37.6 | 176.8 | -170.4 | 172.9 | 69.8 | -171.8 | 3.6 | 112.2 | A93 H94 L95 L99 | A93-R97 WeakPolarHBondContact O-CB 3.49Å; A93-R97 PolarHBondContact O-N 2.82Å; A93-R97 VanDerWaalsContact O-N 3.08Å; H94-R97 PolarHBondContact O-N 2.85Å; L95-R97 VanDerWaalsContact C-N 3.29Å; L95-R97 PolarHBondContact O-N 2.92Å; R97-L99 VanDerWaalsContact C-N 3.32Å; R97-L99 PolarHBondContact O-N 3.24Å |
| 98 | A | 92 | Very high | 89.9 | Confident | 51 Ų | 51 | 61.6 Ų | 61.6 | 42% | 0.421 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68 | -29.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H94 L95 R102 | H94-A98 WeakPolarHBondContact O-CB 3.49Å; H94-A98 PolarHBondContact O-N 3.38Å; L95-A98 PolarHBondContact O-N 2.82Å; L95-A98 VanDerWaalsContact O-N 3.09Å; A98-R102 WeakPolarHBondContact O-CG 3.44Å |
| 99 | L | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -72 | -35.1 | 178.1 | -77.2 | 173.2 | 0 | 0 | 0 | 113.1 | L95 R97 G101 R102 V122 L148 L149 L157 M159 | L95-L99 HydrophobicContact CD1-CG 4.31Å; L95-L99 HydrophobicContact CG-CD1 4.4Å; L95-L99 WeakPolarHBondContact O-CG 3.4Å; L95-L99 PolarHBondContact O-N 3.25Å; R97-L99 VanDerWaalsContact C-N 3.32Å; R97-L99 PolarHBondContact O-N 3.24Å; L99-G101 PolarHBondContact O-N 2.85Å; L99-R102 VanDerWaalsContact O-CB 3.24Å; L99-R102 WeakPolarHBondContact O-CB 3.27Å; L99-R102 VanDerWaalsContact O-CG 3.27Å; L99-R102 WeakPolarHBondContact O-CG 3.31Å; L99-R102 PolarHBondContact O-N 3.02Å; L99-V122 HydrophobicContact CB-CG1 4.36Å; L99-V122 VanDerWaalsContact O-CB 3.26Å; L99-V122 WeakPolarHBondContact O-CB 3.4Å; L99-L148 HydrophobicContact CD1-CB 4.25Å; L99-L149 HydrophobicContact CD1-CD2 3.73Å; L99-L157 HydrophobicContact CD2-CD2 4Å; L99-M159 HydrophobicContact CD2-CG 3.87Å; L99-M159 HydrophobicContact CD2-SD 4.03Å |
| 100 | V | 91 | Very high | 90.7 | Very high | 51 Ų | 51 | 60.4 Ų | 60.4 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | 130.8 | -174.8 | 174.8 | 0 | 0 | 0 | 0 | 111 | R102 | V100-R102 VanDerWaalsContact C-N 3.26Å; V100-R102 PolarHBondContact O-N 2.78Å |
| 101 | G | 88.8 | Confident | 90.8 | Very high | 45 Ų | 45 | 68.7 Ų | 68.7 | 46% | 0.464 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -9.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L99 V122 | L99-G101 PolarHBondContact O-N 2.85Å; G101-V122 VanDerWaalsContact CA-O 3.25Å; G101-V122 WeakPolarHBondContact CA-O 3.5Å; G101-V122 PolarHBondContact N-O 2.77Å |
| 102 | R | 91.1 | Very high | 90.8 | Very high | 62 Ų | 62 | 66.1 Ų | 66.1 | 23% | 0.234 | 37% | 0.367 | C | S | . | . | trans | -77.3 | 140.6 | -175.7 | -59.3 | -63.3 | -62.3 | -159.7 | 7.5 | 112.2 | A98 L99 V100 V104 V121 V122 M159 I160 D162 | A98-R102 WeakPolarHBondContact O-CG 3.44Å; L99-R102 VanDerWaalsContact O-CB 3.24Å; L99-R102 WeakPolarHBondContact O-CB 3.27Å; L99-R102 VanDerWaalsContact O-CG 3.27Å; L99-R102 WeakPolarHBondContact O-CG 3.31Å; L99-R102 PolarHBondContact O-N 3.02Å; V100-R102 VanDerWaalsContact C-N 3.26Å; V100-R102 PolarHBondContact O-N 2.78Å; R102-V104 HydrophobicContact CB-CG1 4.36Å; R102-V121 WeakPolarHBondContact O-CA 3.46Å; R102-V122 PolarHBondContact O-N 3.49Å; R102-M159 HydrophobicContact CG-SD 4.32Å; R102-I160 PolarHBondContact NH2-O 2.84Å; R102-D162 VanDerWaalsContact CZ-CG 3.48Å; R102-D162 IonicContact CZ-OD1 3.97Å; R102-D162 IonicContact CZ-OD2 3.34Å; R102-D162 IonicContact NE-OD1 2.76Å; R102-D162 IonicContact NE-OD2 3.68Å; R102-D162 IonicContact NH1-OD1 3.61Å; R102-D162 IonicContact NH1-OD2 3.72Å; R102-D162 PolarHBondContact NH1-OD2 3.24Å; R102-D162 IonicContact NH2-OD1 3.28Å; R102-D162 PolarHBondContact NH2-OD1 2.97Å; R102-D162 IonicContact NH2-OD2 3.31Å; R102-D162 PolarHBondContact NH2-OD2 3.18Å | ||
| 103 | A | 93.2 | Very high | 90.4 | Very high | 35 Ų | 35 | 65.4 Ų | 65.4 | 29% | 0.289 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 136.1 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | G120 I160 | A103-G120 WeakPolarHBondContact CA-O 3.31Å; A103-I160 HydrophobicContact CB-CB 4.16Å; A103-I160 HydrophobicContact CB-CD1 4.28Å; A103-I160 PolarHBondContact O-N 2.81Å |
| 104 | V | 95.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 154.9 | -176.2 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | R102 R119 G120 V122 I135 L157 H158 | R102-V104 HydrophobicContact CB-CG1 4.36Å; V104-R119 WeakPolarHBondContact O-CA 3.47Å; V104-G120 PolarHBondContact N-O 3.08Å; V104-G120 PolarHBondContact O-N 3.33Å; V104-V122 HydrophobicContact CG1-CG2 3.78Å; V104-V122 HydrophobicContact CG2-CG2 4.06Å; V104-I135 HydrophobicContact CG2-CD1 3.74Å; V104-L157 HydrophobicContact CB-CD1 3.94Å; V104-L157 HydrophobicContact CB-CG 4.44Å; V104-L157 HydrophobicContact CG1-CD1 4.4Å; V104-L157 HydrophobicContact CG1-CG 4.49Å; V104-L157 HydrophobicContact CG2-CD1 3.97Å; V104-H158 CarbonylContact C-O 3.52Å; V104-H158 VanDerWaalsContact CA-O 3.23Å; V104-H158 WeakPolarHBondContact CA-O 3.42Å; V104-H158 WeakPolarHBondContact CB-O 3.44Å |
| 105 | Q | 96.8 | Very high | 89.8 | Confident | 68 Ų | 68 | 64.4 Ų | 64.4 | 32% | 0.318 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 116.9 | 162.8 | -175.4 | 168.4 | -32.8 | 0 | 0 | 108 | N117 W118 H158 | Q105-N117 HydrophobicContact CG-CB 3.85Å; Q105-N117 VanDerWaalsContact NE2-CB 3.29Å; Q105-N117 PolarHBondContact NE2-ND2 3.42Å; Q105-N117 PolarHBondContact NE2-OD1 2.86Å; Q105-W118 WeakPolarHBondContact CA-O 3.22Å; Q105-H158 PolarHBondContact N-O 3.37Å; Q105-H158 PolarHBondContact O-N 3Å |
| 106 | H | 97.2 | Very high | 89.6 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.019 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 120.9 | -179.4 | -163.9 | 177.8 | 0 | 0 | 0 | 109.1 | F108 W118 Y137 D151 N156 L157 | H106-F108 HydrophobicContact CB-CE2 3.88Å; H106-F108 HydrophobicContact CB-CZ 4.33Å; H106-F108 AromaticContact CE1-CE1 3.89Å; H106-F108 AromaticContact CE1-CZ 3.58Å; H106-F108 AromaticContact CG-CE2 3.69Å; H106-F108 AromaticContact CG-CZ 3.68Å; H106-F108 AromaticContact ND1-CE2 3.76Å; H106-F108 AromaticContact ND1-CZ 3.29Å; H106-F108 VanDerWaalsContact ND1-CZ 3.29Å; H106-F108 WeakPolarHBondContact ND1-CZ 3.46Å; H106-W118 PolarHBondContact N-O 3.34Å; H106-W118 PolarHBondContact O-N 2.94Å; H106-Y137 HydrophobicContact CB-CE1 3.94Å; H106-Y137 AromaticContact ND1-CE1 3.94Å; H106-Y137 AromaticContact ND1-CZ 3.79Å; H106-Y137 PolarHBondContact ND1-OH 3.49Å; H106-D151 IonicContact CE1-OD2 2.68Å; H106-D151 IonicContact NE2-OD2 3.94Å; H106-D151 PolarHBondContact NE2-OD2 3Å; H106-N156 PolarHBondContact CD2-O 3.14Å; H106-L157 HydrophobicContact CB-CD1 3.74Å |
| 107 | K | 96.1 | Very high | 89.5 | Confident | 49 Ų | 49 | 68.7 Ų | 68.7 | 21% | 0.213 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 133.1 | 178.7 | -176.9 | -173.6 | -88.5 | -169.7 | 0 | 109.7 | E115 N156 | K107-E115 HydrophobicContact CD-CB 4.32Å; K107-E115 HydrophobicContact CD-CG 4.15Å; K107-E115 WeakPolarHBondContact CD-OE1 3.44Å; K107-E115 WeakPolarHBondContact CE-OE1 3.39Å; K107-E115 WeakPolarHBondContact CE-OE2 3.47Å; K107-E115 HydrophobicContact CG-CB 4.26Å; K107-E115 IonicContact NZ-OE1 2.75Å; K107-E115 PolarHBondContact NZ-OE1 3.49Å; K107-E115 IonicContact NZ-OE2 2.72Å; K107-E115 PolarHBondContact NZ-OE2 3.08Å; K107-N156 HydrophobicContact CB-CB 4.43Å; K107-N156 WeakPolarHBondContact CB-O 3.29Å; K107-N156 PolarHBondContact N-O 3.19Å |
| 108 | F | 93.3 | Very high | 89.7 | Confident | 54 Ų | 54 | 62.8 Ų | 62.8 | 24% | 0.237 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 149.3 | 173.9 | -65.1 | -84.4 | 0 | 0 | 0 | 110.3 | H106 E115 V116 W118 Y137 Y146 | H106-F108 HydrophobicContact CB-CE2 3.88Å; H106-F108 HydrophobicContact CB-CZ 4.33Å; H106-F108 AromaticContact CE1-CE1 3.89Å; H106-F108 AromaticContact CE1-CZ 3.58Å; H106-F108 AromaticContact CG-CE2 3.69Å; H106-F108 AromaticContact CG-CZ 3.68Å; H106-F108 AromaticContact ND1-CE2 3.76Å; H106-F108 AromaticContact ND1-CZ 3.29Å; H106-F108 VanDerWaalsContact ND1-CZ 3.29Å; H106-F108 WeakPolarHBondContact ND1-CZ 3.46Å; F108-E115 WeakPolarHBondContact O-CA 3.5Å; F108-V116 PolarHBondContact N-O 2.94Å; F108-V116 PolarHBondContact O-N 3.09Å; F108-W118 HydrophobicContact CD2-CB 4.22Å; F108-W118 AromaticContact CD2-CD1 3.89Å; F108-W118 AromaticContact CD2-CG 4Å; F108-W118 HydrophobicContact CD2-CG 4Å; F108-W118 HydrophobicContact CE2-CB 3.95Å; F108-W118 HydrophobicContact CE2-CD2 4.41Å; F108-W118 HydrophobicContact CE2-CG 4.03Å; F108-Y137 HydrophobicContact CE2-CE1 4.22Å; F108-Y137 HydrophobicContact CZ-CE1 4.32Å; F108-Y137 HydrophobicContact CZ-CE2 4.42Å; F108-Y137 AromaticContact CZ-CZ 3.84Å; F108-Y137 WeakPolarHBondContact CZ-OH 3.17Å; F108-Y146 HydrophobicContact CE1-CE1 4.36Å; F108-Y146 HydrophobicContact CZ-CE2 4.44Å |
| 109 | E | 90.3 | Very high | 89.9 | Confident | 164 Ų | 164 | 68.3 Ų | 68.3 | 77% | 0.766 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 116.7 | 168.8 | -163.6 | 176.4 | -177.2 | 0 | 0 | 109.9 | ||
| 110 | G | 80.4 | Confident | 89.9 | Confident | 23 Ų | 23 | 68.7 Ų | 68.7 | 24% | 0.237 | 38% | 0.381 | C | S | . | . | trans | -83.1 | 175.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | G112 G113 S114 | G110-G112 PolarHBondContact O-N 2.64Å; G110-G113 PolarHBondContact O-N 3.45Å; G110-G113 VanDerWaalsContact O-N 3.12Å; G110-S114 VanDerWaalsContact CA-O 3.24Å; G110-S114 WeakPolarHBondContact CA-O 3.41Å; G110-S114 PolarHBondContact N-O 2.9Å | ||
| 111 | K | 78.7 | Confident | 90.1 | Very high | 211 Ų | 211 | 68.8 Ų | 68.8 | 92% | 0.917 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 126.6 | 174 | -69.2 | -175.5 | 178.7 | -178.3 | 0 | 109.6 | S114 | K111-S114 PolarHBondContact O-OG 3.22Š|
| 112 | G | 81 | Confident | 90.3 | Very high | 89 Ų | 89 | 66.7 Ų | 66.7 | 92% | 0.918 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 17.9 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | G110 S114 | G110-G112 PolarHBondContact O-N 2.64Å; G112-S114 VanDerWaalsContact C-N 3.3Å; G112-S114 PolarHBondContact O-N 3.05Å |
| 113 | G | 80.3 | Confident | 90.4 | Very high | 41 Ų | 41 | 64.3 Ų | 64.3 | 42% | 0.423 | 35% | 0.351 | S | S | . | . | S | Bend | trans | 80.3 | 7.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G110 E115 | G110-G113 PolarHBondContact O-N 3.45Å; G110-G113 VanDerWaalsContact O-N 3.12Å; G113-E115 PolarHBondContact O-N 3.17Å |
| 114 | S | 84.5 | Confident | 90.3 | Very high | 65 Ų | 65 | 63.8 Ų | 63.8 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | trans | -71 | 124.9 | 175 | 56.3 | 0 | 0 | 0 | 0 | 110.5 | G110 K111 G112 | G110-S114 VanDerWaalsContact CA-O 3.24Å; G110-S114 WeakPolarHBondContact CA-O 3.41Å; G110-S114 PolarHBondContact N-O 2.9Å; K111-S114 PolarHBondContact O-OG 3.22Å; G112-S114 VanDerWaalsContact C-N 3.3Å; G112-S114 PolarHBondContact O-N 3.05Å | ||
| 115 | E | 85.6 | Confident | 90.2 | Very high | 125 Ų | 125 | 66.5 Ų | 66.5 | 58% | 0.584 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 128.4 | 177.1 | -62.2 | -175.6 | 147.5 | 0 | 0 | 110.9 | K107 F108 G113 | K107-E115 HydrophobicContact CD-CB 4.32Å; K107-E115 HydrophobicContact CD-CG 4.15Å; K107-E115 WeakPolarHBondContact CD-OE1 3.44Å; K107-E115 WeakPolarHBondContact CE-OE1 3.39Å; K107-E115 WeakPolarHBondContact CE-OE2 3.47Å; K107-E115 HydrophobicContact CG-CB 4.26Å; K107-E115 IonicContact NZ-OE1 2.75Å; K107-E115 PolarHBondContact NZ-OE1 3.49Å; K107-E115 IonicContact NZ-OE2 2.72Å; K107-E115 PolarHBondContact NZ-OE2 3.08Å; F108-E115 WeakPolarHBondContact O-CA 3.5Å; G113-E115 PolarHBondContact O-N 3.17Å |
| 116 | V | 89.4 | Confident | 90 | Very high | 50 Ų | 50 | 63.3 Ų | 63.3 | 30% | 0.303 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 123.2 | 177.2 | -169.3 | 0 | 0 | 0 | 0 | 109.5 | F108 | F108-V116 PolarHBondContact N-O 2.94Å; F108-V116 PolarHBondContact O-N 3.09Å |
| 117 | N | 91.6 | Very high | 89.5 | Confident | 65 Ų | 65 | 67.6 Ų | 67.6 | 35% | 0.348 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 125.2 | 177.3 | -72.7 | -63.8 | 0 | 0 | 0 | 111.4 | Q105 | Q105-N117 HydrophobicContact CG-CB 3.85Å; Q105-N117 VanDerWaalsContact NE2-CB 3.29Å; Q105-N117 PolarHBondContact NE2-ND2 3.42Å; Q105-N117 PolarHBondContact NE2-OD1 2.86Å |
| 118 | W | 95.3 | Very high | 89 | Confident | 66 Ų | 66 | 67.1 Ų | 67.1 | 25% | 0.25 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 128.7 | 177.5 | -73.7 | 46.1 | 0 | 0 | 0 | 109.2 | Q105 H106 F108 Y137 D140 | Q105-W118 WeakPolarHBondContact CA-O 3.22Å; H106-W118 PolarHBondContact N-O 3.34Å; H106-W118 PolarHBondContact O-N 2.94Å; F108-W118 HydrophobicContact CD2-CB 4.22Å; F108-W118 AromaticContact CD2-CD1 3.89Å; F108-W118 AromaticContact CD2-CG 4Å; F108-W118 HydrophobicContact CD2-CG 4Å; F108-W118 HydrophobicContact CE2-CB 3.95Å; F108-W118 HydrophobicContact CE2-CD2 4.41Å; F108-W118 HydrophobicContact CE2-CG 4.03Å; W118-Y137 HydrophobicContact CB-CD1 3.88Å; W118-Y137 HydrophobicContact CB-CE1 4.34Å; W118-Y137 HydrophobicContact CB-CG 4.44Å; W118-Y137 HydrophobicContact CE3-CD1 4.22Å; W118-Y137 AromaticContact CE3-CD2 3.87Å; W118-Y137 HydrophobicContact CE3-CD2 3.87Å; W118-Y137 AromaticContact CE3-CG 3.66Å; W118-Y137 HydrophobicContact CE3-CG 3.66Å; W118-Y137 HydrophobicContact CZ3-CD2 4.24Å; W118-Y137 HydrophobicContact CZ3-CG 4.38Å; W118-D140 HydrophobicContact CH2-CB 4.33Å; W118-D140 HydrophobicContact CZ3-CB 3.8Å |
| 119 | R | 95.6 | Very high | 88.8 | Confident | 168 Ų | 168 | 65.3 Ų | 65.3 | 63% | 0.634 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 129.3 | 170.8 | -78.3 | -168.8 | -95 | -150.5 | -5.8 | 109.4 | V104 Y137 K138 I160 | V104-R119 WeakPolarHBondContact O-CA 3.47Å; R119-Y137 WeakPolarHBondContact O-CA 3.48Å; R119-K138 PolarHBondContact O-N 3.12Å; R119-I160 HydrophobicContact CG-CD1 4.14Å |
| 120 | G | 93.8 | Very high | 88.7 | Confident | 8 Ų | 8 | 61.9 Ų | 61.9 | 8% | 0.082 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | -178.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A103 V104 T136 | A103-G120 WeakPolarHBondContact CA-O 3.31Å; V104-G120 PolarHBondContact N-O 3.08Å; V104-G120 PolarHBondContact O-N 3.33Å; G120-T136 CarbonylContact C-O 3.48Å; G120-T136 WeakPolarHBondContact CA-O 3.41Å |
| 121 | V | 93.5 | Very high | 89.1 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 32% | 0.321 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.5 | 175.5 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | R102 L123 I135 T136 | R102-V121 WeakPolarHBondContact O-CA 3.46Å; V121-L123 HydrophobicContact CG1-CD2 4.26Å; V121-I135 WeakPolarHBondContact O-CA 3.45Å; V121-I135 WeakPolarHBondContact O-CG1 3.29Å; V121-T136 PolarHBondContact N-O 2.94Å; V121-T136 PolarHBondContact O-N 2.78Å |
| 122 | V | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 122.9 | 172.7 | -175.9 | 0 | 0 | 0 | 0 | 108.1 | L99 G101 R102 V104 F133 I135 L148 | L99-V122 HydrophobicContact CB-CG1 4.36Å; L99-V122 VanDerWaalsContact O-CB 3.26Å; L99-V122 WeakPolarHBondContact O-CB 3.4Å; G101-V122 VanDerWaalsContact CA-O 3.25Å; G101-V122 WeakPolarHBondContact CA-O 3.5Å; G101-V122 PolarHBondContact N-O 2.77Å; R102-V122 PolarHBondContact O-N 3.49Å; V104-V122 HydrophobicContact CG1-CG2 3.78Å; V104-V122 HydrophobicContact CG2-CG2 4.06Å; V122-F133 HydrophobicContact CG1-CB 4.21Å; V122-F133 HydrophobicContact CG1-CD1 4.09Å; V122-I135 HydrophobicContact CG2-CD1 4.31Å; V122-L148 HydrophobicContact CB-CD1 4.35Å; V122-L148 HydrophobicContact CG1-CD1 3.9Å; V122-L148 HydrophobicContact CG2-CD1 3.58Å |
| 123 | L | 92.7 | Very high | 90.6 | Very high | 13 Ų | 13 | 48.1 Ų | 48.1 | 7% | 0.068 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -49.1 | -168.4 | -56.7 | 173.5 | 0 | 0 | 0 | 111.9 | V121 Y134 T136 L143 F200 V206 F208 V219 | V121-L123 HydrophobicContact CG1-CD2 4.26Å; L123-Y134 PolarHBondContact N-O 3.02Å; L123-T136 HydrophobicContact CD1-CG2 4.25Å; L123-T136 HydrophobicContact CD2-CG2 4.13Å; L123-T136 HydrophobicContact CG-CG2 4.46Å; L123-L143 HydrophobicContact CD1-CD1 3.64Å; L123-F200 HydrophobicContact CB-CE1 3.77Å; L123-F200 HydrophobicContact CB-CZ 3.72Å; L123-F200 HydrophobicContact CD1-CZ 4.21Å; L123-F200 HydrophobicContact CG-CZ 4.49Å; L123-V206 HydrophobicContact CD2-CG1 4.14Å; L123-F208 HydrophobicContact CD1-CE1 4.22Å; L123-V219 HydrophobicContact CD1-CB 4.37Å; L123-V219 HydrophobicContact CD1-CG1 3.83Å; L123-V219 HydrophobicContact CD1-CG2 3.8Å; L123-V219 HydrophobicContact CD2-CG1 4.04Å |
| 124 | A | 91.9 | Very high | 91.3 | Very high | 24 Ų | 24 | 46.8 Ų | 46.8 | 20% | 0.198 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 161.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | F133 Y134 F200 | A124-F133 CarbonylContact O-C 3.49Å; A124-F133 WeakPolarHBondContact O-CA 3.4Å; A124-Y134 HydrophobicContact CB-CD2 4.43Å; A124-Y134 PolarHBondContact O-N 2.91Å; A124-F200 HydrophobicContact CB-CE1 3.89Å |
| 125 | Q | 92.3 | Very high | 91.8 | Very high | 57 Ų | 57 | 43.7 Ų | 43.7 | 27% | 0.266 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 141.3 | 163.5 | -168.7 | 169.8 | 43.2 | 0 | 0 | 109.7 | V90 P127 K130 F133 | V90-Q125 VanDerWaalsContact CG2-NE2 3.32Å; Q125-P127 WeakPolarHBondContact O-CD 3.4Å; Q125-K130 PolarHBondContact NE2-O 2.95Å; Q125-F133 HydrophobicContact CB-CD1 4.17Å; Q125-F133 HydrophobicContact CB-CE1 4.06Å; Q125-F133 HydrophobicContact CG-CD1 4.42Å; Q125-F133 HydrophobicContact CG-CE1 4.1Å; Q125-F133 HydrophobicContact CG-CZ 4.27Å |
| 126 | V | 92.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -70.4 | 125.2 | 177.8 | 179.9 | 0 | 0 | 0 | 0 | 108.8 | L44 I128 M129 L132 Y134 A145 | L44-V126 HydrophobicContact CD1-CG1 4.16Å; L44-V126 HydrophobicContact CD2-CG1 4.4Å; V126-I128 VanDerWaalsContact C-N 3.33Å; V126-I128 PolarHBondContact O-N 2.91Å; V126-M129 WeakPolarHBondContact CB-O 3.33Å; V126-M129 HydrophobicContact CG1-CB 4.22Å; V126-M129 CarbonylContact O-C 3.46Å; V126-L132 HydrophobicContact CB-CB 4.08Å; V126-L132 HydrophobicContact CG2-CB 3.71Å; V126-L132 PolarHBondContact N-O 2.82Å; V126-Y134 HydrophobicContact CB-CE2 4.46Å; V126-Y134 HydrophobicContact CG1-CE2 4.49Å; V126-Y134 HydrophobicContact CG2-CD1 3.82Å; V126-Y134 HydrophobicContact CG2-CD2 4.12Å; V126-Y134 HydrophobicContact CG2-CE1 3.68Å; V126-Y134 HydrophobicContact CG2-CE2 4.02Å; V126-Y134 HydrophobicContact CG2-CG 4.02Å; V126-A145 HydrophobicContact CG2-CB 4.38Å | ||
| 127 | P | 87.8 | Confident | 92.6 | Very high | 95 Ų | 95 | 36.3 Ų | 36.3 | 62% | 0.617 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -59.9 | -37.7 | -168.9 | -28.5 | 35.4 | 0 | 0 | 0 | 115 | Q125 | Q125-P127 WeakPolarHBondContact O-CD 3.4Š|
| 128 | I | 85.4 | Confident | 92.5 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 20% | 0.195 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -94.2 | -43 | -174.2 | -52.3 | -179 | 0 | 0 | 0 | 111.3 | V21 L44 F87 V126 | V21-I128 HydrophobicContact CG1-CD1 3.21Å; L44-I128 WeakPolarHBondContact O-CD1 3.26Å; F87-I128 WeakPolarHBondContact CB-O 3.23Å; F87-I128 HydrophobicContact CD1-CG2 4.01Å; F87-I128 WeakPolarHBondContact CD1-O 3.48Å; F87-I128 HydrophobicContact CD2-CG2 3.83Å; F87-I128 HydrophobicContact CE1-CG2 3.56Å; F87-I128 HydrophobicContact CE2-CG2 3.36Å; F87-I128 HydrophobicContact CG-CG2 4.14Å; F87-I128 VanDerWaalsContact CG-O 3.23Å; F87-I128 WeakPolarHBondContact CG-O 3.4Å; F87-I128 HydrophobicContact CZ-CG2 3.22Å; V126-I128 VanDerWaalsContact C-N 3.33Å; V126-I128 PolarHBondContact O-N 2.91Å |
| 129 | M | 88 | Confident | 92.3 | Very high | 17 Ų | 17 | 45.9 Ų | 45.9 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | trans | -99.5 | 81.7 | 175.7 | -78.1 | -163.8 | -78.9 | 0 | 0 | 109.4 | I42 L44 K57 F87 V126 D131 L132 | I42-M129 HydrophobicContact CB-CE 4.14Å; I42-M129 HydrophobicContact CD1-CE 3.89Å; I42-M129 HydrophobicContact CD1-SD 3.79Å; I42-M129 HydrophobicContact CG2-CE 4.05Å; L44-M129 HydrophobicContact CD2-CE 3.1Å; K57-M129 HydrophobicContact CB-CE 4.49Å; K57-M129 HydrophobicContact CD-CE 4.02Å; F87-M129 HydrophobicContact CD1-CG 3.59Å; F87-M129 HydrophobicContact CE1-CG 3.64Å; V126-M129 WeakPolarHBondContact CB-O 3.33Å; V126-M129 HydrophobicContact CG1-CB 4.22Å; V126-M129 CarbonylContact O-C 3.46Å; M129-D131 PolarHBondContact O-N 3.26Å; M129-D131 VanDerWaalsContact O-N 3.13Å; M129-L132 HydrophobicContact CB-CB 4.29Å; M129-L132 HydrophobicContact CB-CD1 3.85Å; M129-L132 HydrophobicContact CB-CG 4.15Å; M129-L132 HydrophobicContact CE-CD1 3.64Å; M129-L132 HydrophobicContact CG-CD1 4.41Å; M129-L132 WeakPolarHBondContact O-CB 3.45Å; M129-L132 PolarHBondContact O-N 2.92Å; M129-L132 HydrophobicContact SD-CD1 3.76Å | ||
| 130 | K | 88.4 | Confident | 92.3 | Very high | 91 Ų | 91 | 40.5 Ų | 40.5 | 40% | 0.396 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -11.6 | -171.1 | -58.2 | -171.5 | 176.3 | -179.1 | 0 | 114.2 | V90 Q125 L132 | V90-K130 HydrophobicContact CG2-CB 3.45Å; V90-K130 VanDerWaalsContact CG2-CB 3.45Å; V90-K130 HydrophobicContact CG2-CD 3.87Å; V90-K130 HydrophobicContact CG2-CG 4.3Å; Q125-K130 PolarHBondContact NE2-O 2.95Å; K130-L132 VanDerWaalsContact C-N 3.28Å |
| 131 | D | 90 | Very high | 92.3 | Very high | 22 Ų | 22 | 41.9 Ų | 41.9 | 12% | 0.118 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -18.1 | 168.9 | 60.3 | -36.8 | 0 | 0 | 0 | 113 | P88 M129 Q147 | P88-D131 HydrophobicContact CG-CB 3.83Å; P88-D131 WeakPolarHBondContact CG-OD2 3.2Å; M129-D131 PolarHBondContact O-N 3.26Å; M129-D131 VanDerWaalsContact O-N 3.13Å; D131-Q147 WeakPolarHBondContact O-CA 3.42Å; D131-Q147 PolarHBondContact OD2-NE2 3.35Å |
| 132 | L | 94 | Very high | 92.4 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.063 | 20% | 0.199 | C | C | . | . | trans | -98.6 | 150.7 | 178.8 | -63.9 | 176.6 | 0 | 0 | 0 | 112.7 | K57 V126 M129 K130 A145 Y146 Q147 | K57-L132 HydrophobicContact CD-CD1 3.77Å; V126-L132 HydrophobicContact CB-CB 4.08Å; V126-L132 HydrophobicContact CG2-CB 3.71Å; V126-L132 PolarHBondContact N-O 2.82Å; M129-L132 HydrophobicContact CB-CB 4.29Å; M129-L132 HydrophobicContact CB-CD1 3.85Å; M129-L132 HydrophobicContact CB-CG 4.15Å; M129-L132 HydrophobicContact CE-CD1 3.64Å; M129-L132 HydrophobicContact CG-CD1 4.41Å; M129-L132 WeakPolarHBondContact O-CB 3.45Å; M129-L132 PolarHBondContact O-N 2.92Å; M129-L132 HydrophobicContact SD-CD1 3.76Å; K130-L132 VanDerWaalsContact C-N 3.28Å; L132-A145 HydrophobicContact CB-CB 4.45Å; L132-A145 HydrophobicContact CD1-CB 4.46Å; L132-Y146 WeakPolarHBondContact CA-O 3.42Å; L132-Q147 HydrophobicContact CD2-CG 3.57Å | ||
| 133 | F | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134 | 175.7 | -65.8 | -101.5 | 0 | 0 | 0 | 110 | A96 V122 A124 Q125 A145 Y146 L148 L149 | A96-F133 HydrophobicContact CB-CE1 4.02Å; A96-F133 HydrophobicContact CB-CZ 3.66Å; V122-F133 HydrophobicContact CG1-CB 4.21Å; V122-F133 HydrophobicContact CG1-CD1 4.09Å; A124-F133 CarbonylContact O-C 3.49Å; A124-F133 WeakPolarHBondContact O-CA 3.4Å; Q125-F133 HydrophobicContact CB-CD1 4.17Å; Q125-F133 HydrophobicContact CB-CE1 4.06Å; Q125-F133 HydrophobicContact CG-CD1 4.42Å; Q125-F133 HydrophobicContact CG-CE1 4.1Å; Q125-F133 HydrophobicContact CG-CZ 4.27Å; F133-A145 VanDerWaalsContact O-CA 3.26Å; F133-A145 WeakPolarHBondContact O-CA 3.25Å; F133-Y146 PolarHBondContact N-O 3.14Å; F133-Y146 PolarHBondContact O-N 3Å; F133-L148 HydrophobicContact CB-CB 4.28Å; F133-L148 HydrophobicContact CB-CD1 3.52Å; F133-L148 HydrophobicContact CB-CG 3.86Å; F133-L148 HydrophobicContact CD2-CB 3.91Å; F133-L148 HydrophobicContact CD2-CG 4.36Å; F133-L148 HydrophobicContact CG-CB 4.18Å; F133-L148 HydrophobicContact CG-CD1 4.09Å; F133-L148 HydrophobicContact CG-CG 4.3Å; F133-L149 HydrophobicContact CE2-CD1 4.02Å; F133-L149 HydrophobicContact CE2-CD2 4.37Å; F133-L149 HydrophobicContact CE2-CG 3.67Å; F133-L149 HydrophobicContact CZ-CD1 4.08Å; F133-L149 HydrophobicContact CZ-CD2 4.14Å; F133-L149 HydrophobicContact CZ-CG 3.88Å |
| 134 | Y | 95.5 | Very high | 92.8 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 5% | 0.051 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 130 | 166.3 | -69.1 | -46.6 | 0 | 0 | 0 | 110 | L44 I64 L123 A124 V126 L143 Y144 A145 | L44-Y134 HydrophobicContact CD1-CE1 3.85Å; L44-Y134 WeakPolarHBondContact CD1-OH 3.45Å; I64-Y134 HydrophobicContact CD1-CE1 4.43Å; I64-Y134 HydrophobicContact CG1-CD1 4.15Å; I64-Y134 HydrophobicContact CG1-CE1 3.9Å; I64-Y134 HydrophobicContact CG2-CE1 4.29Å; L123-Y134 PolarHBondContact N-O 3.02Å; A124-Y134 HydrophobicContact CB-CD2 4.43Å; A124-Y134 PolarHBondContact O-N 2.91Å; V126-Y134 HydrophobicContact CB-CE2 4.46Å; V126-Y134 HydrophobicContact CG1-CE2 4.49Å; V126-Y134 HydrophobicContact CG2-CD1 3.82Å; V126-Y134 HydrophobicContact CG2-CD2 4.12Å; V126-Y134 HydrophobicContact CG2-CE1 3.68Å; V126-Y134 HydrophobicContact CG2-CE2 4.02Å; V126-Y134 HydrophobicContact CG2-CG 4.02Å; Y134-L143 HydrophobicContact CD1-CD1 4Å; Y134-L143 HydrophobicContact CD1-CD2 4.21Å; Y134-L143 HydrophobicContact CD1-CG 4.16Å; Y134-L143 HydrophobicContact CE1-CD2 4.35Å; Y134-L143 HydrophobicContact CG-CD1 4.13Å; Y134-Y144 WeakPolarHBondContact CA-O 3.24Å; Y134-A145 HydrophobicContact CD1-CB 4.35Å |
| 135 | I | 95.8 | Very high | 93 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150.3 | 179 | -177.6 | 168.7 | 0 | 0 | 0 | 109.4 | V104 V121 V122 Y137 Y144 Y146 L148 | V104-I135 HydrophobicContact CG2-CD1 3.74Å; V121-I135 WeakPolarHBondContact O-CA 3.45Å; V121-I135 WeakPolarHBondContact O-CG1 3.29Å; V122-I135 HydrophobicContact CG2-CD1 4.31Å; I135-Y137 HydrophobicContact CD1-CE1 3.68Å; I135-Y137 HydrophobicContact CG1-CE1 4.02Å; I135-Y137 HydrophobicContact CG2-CE2 4.46Å; I135-Y144 PolarHBondContact N-O 2.72Å; I135-Y144 WeakPolarHBondContact O-CB 3.46Å; I135-Y144 PolarHBondContact O-N 3.03Å; I135-Y146 HydrophobicContact CG2-CD2 3.68Å; I135-Y146 HydrophobicContact CG2-CE2 4.39Å; I135-L148 HydrophobicContact CB-CD1 4.31Å; I135-L148 HydrophobicContact CD1-CD1 4.08Å; I135-L148 HydrophobicContact CD1-CD2 4.18Å |
| 136 | T | 96 | Very high | 93.2 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 9% | 0.092 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 160 | 171 | -166.6 | 0 | 0 | 0 | 0 | 110.1 | G120 V121 L123 P141 A142 V219 | G120-T136 CarbonylContact C-O 3.48Å; G120-T136 WeakPolarHBondContact CA-O 3.41Å; V121-T136 PolarHBondContact N-O 2.94Å; V121-T136 PolarHBondContact O-N 2.78Å; L123-T136 HydrophobicContact CD1-CG2 4.25Å; L123-T136 HydrophobicContact CD2-CG2 4.13Å; L123-T136 HydrophobicContact CG-CG2 4.46Å; T136-P141 WeakPolarHBondContact OG1-CA 3.29Å; T136-P141 PolarHBondContact OG1-O 2.68Å; T136-A142 WeakPolarHBondContact CB-O 3.35Å; T136-A142 PolarHBondContact OG1-O 2.9Å; T136-V219 HydrophobicContact CG2-CB 3.84Å; T136-V219 HydrophobicContact CG2-CG1 3.86Å; T136-V219 HydrophobicContact CG2-CG2 4.35Å |
| 137 | Y | 94.7 | Very high | 93.4 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 147.9 | -176.3 | -55.9 | -75.5 | 0 | 0 | 0 | 112 | H106 F108 W118 R119 I135 K139 D140 P141 Y144 Y146 | H106-Y137 HydrophobicContact CB-CE1 3.94Å; H106-Y137 AromaticContact ND1-CE1 3.94Å; H106-Y137 AromaticContact ND1-CZ 3.79Å; H106-Y137 PolarHBondContact ND1-OH 3.49Å; F108-Y137 HydrophobicContact CE2-CE1 4.22Å; F108-Y137 HydrophobicContact CZ-CE1 4.32Å; F108-Y137 HydrophobicContact CZ-CE2 4.42Å; F108-Y137 AromaticContact CZ-CZ 3.84Å; F108-Y137 WeakPolarHBondContact CZ-OH 3.17Å; W118-Y137 HydrophobicContact CB-CD1 3.88Å; W118-Y137 HydrophobicContact CB-CE1 4.34Å; W118-Y137 HydrophobicContact CB-CG 4.44Å; W118-Y137 HydrophobicContact CE3-CD1 4.22Å; W118-Y137 AromaticContact CE3-CD2 3.87Å; W118-Y137 HydrophobicContact CE3-CD2 3.87Å; W118-Y137 AromaticContact CE3-CG 3.66Å; W118-Y137 HydrophobicContact CE3-CG 3.66Å; W118-Y137 HydrophobicContact CZ3-CD2 4.24Å; W118-Y137 HydrophobicContact CZ3-CG 4.38Å; R119-Y137 WeakPolarHBondContact O-CA 3.48Å; I135-Y137 HydrophobicContact CD1-CE1 3.68Å; I135-Y137 HydrophobicContact CG1-CE1 4.02Å; I135-Y137 HydrophobicContact CG2-CE2 4.46Å; Y137-K139 VanDerWaalsContact C-N 3.27Å; Y137-K139 PolarHBondContact O-N 2.95Å; Y137-D140 PolarHBondContact N-O 3.22Å; Y137-D140 CarbonylContact O-C 3.05Å; Y137-D140 PolarHBondContact O-N 2.95Å; Y137-P141 WeakPolarHBondContact O-CA 3.31Å; Y137-Y144 AromaticContact CD2-CD2 3.63Å; Y137-Y144 HydrophobicContact CD2-CD2 3.63Å; Y137-Y144 AromaticContact CD2-CE2 3.63Å; Y137-Y144 HydrophobicContact CD2-CE2 3.63Å; Y137-Y144 HydrophobicContact CD2-CG 4.27Å; Y137-Y144 HydrophobicContact CE2-CD1 4.21Å; Y137-Y144 AromaticContact CE2-CD2 3.6Å; Y137-Y144 HydrophobicContact CE2-CD2 3.6Å; Y137-Y144 AromaticContact CE2-CE2 3.97Å; Y137-Y144 HydrophobicContact CE2-CE2 3.97Å; Y137-Y144 AromaticContact CE2-CG 3.76Å; Y137-Y144 HydrophobicContact CE2-CG 3.76Å; Y137-Y146 HydrophobicContact CE2-CE2 4.16Å; Y137-Y146 WeakPolarHBondContact OH-CD2 3.38Å; Y137-Y146 VanDerWaalsContact OH-CE2 3.27Å; Y137-Y146 WeakPolarHBondContact OH-CE2 3.47Å |
| 138 | K | 91.3 | Very high | 93.8 | Very high | 182 Ų | 182 | 37.3 Ų | 37.3 | 79% | 0.791 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -63.1 | -34.4 | 178.5 | -178.6 | 171 | 178.1 | 170.7 | 0 | 112.8 | R119 | R119-K138 PolarHBondContact O-N 3.12Š|
| 139 | K | 90.9 | Very high | 94.2 | Very high | 151 Ų | 151 | 35.6 Ų | 35.6 | 66% | 0.657 | 17% | 0.165 | S | C | * | . | S | Bend | trans | -79.6 | -26.3 | 179.7 | -71.3 | -177.1 | 176.7 | 176.4 | 0 | 112.7 | Y137 | Y137-K139 VanDerWaalsContact C-N 3.27Å; Y137-K139 PolarHBondContact O-N 2.95Å |
| 140 | D | 94.1 | Very high | 94.6 | Very high | 55 Ų | 55 | 36.3 Ų | 36.3 | 29% | 0.294 | 17% | 0.169 | S | C | . | . | trans | -143.3 | 98.3 | 178.5 | -168 | -12.8 | 0 | 0 | 0 | 109.1 | W118 Y137 A142 Y144 | W118-D140 HydrophobicContact CH2-CB 4.33Å; W118-D140 HydrophobicContact CZ3-CB 3.8Å; Y137-D140 PolarHBondContact N-O 3.22Å; Y137-D140 CarbonylContact O-C 3.05Å; Y137-D140 PolarHBondContact O-N 2.95Å; D140-A142 PolarHBondContact O-N 3.41Å; D140-A142 PolarHBondContact OD1-N 2.84Å; D140-Y144 VanDerWaalsContact CG-OH 3.25Å; D140-Y144 PolarHBondContact OD2-OH 2.73Å | ||
| 141 | P | 94.1 | Very high | 94.9 | Very high | 37 Ų | 37 | 33.3 Ų | 33.3 | 24% | 0.24 | 16% | 0.158 | C | C | . | . | trans | -78.1 | 22.9 | -173.4 | 32.8 | -34.7 | 0 | 0 | 0 | 112.9 | T136 Y137 Y218 V219 | T136-P141 WeakPolarHBondContact OG1-CA 3.29Å; T136-P141 PolarHBondContact OG1-O 2.68Å; Y137-P141 WeakPolarHBondContact O-CA 3.31Å; P141-Y218 HydrophobicContact CG-CD1 4.26Å; P141-Y218 CarbonylContact O-C 3.59Å; P141-Y218 VanDerWaalsContact O-CA 3.29Å; P141-Y218 WeakPolarHBondContact O-CA 3.24Å; P141-V219 PolarHBondContact O-N 2.76Å | ||
| 142 | A | 95.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 3% | 0.025 | 17% | 0.169 | C | C | . | . | B | Isolated β-bridge | trans | -67.3 | 160.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T136 D140 Y144 I217 | T136-A142 WeakPolarHBondContact CB-O 3.35Å; T136-A142 PolarHBondContact OG1-O 2.9Å; D140-A142 PolarHBondContact O-N 3.41Å; D140-A142 PolarHBondContact OD1-N 2.84Å; A142-Y144 HydrophobicContact CB-CD2 4.4Å; A142-Y144 HydrophobicContact CB-CE2 3.67Å; A142-Y144 VanDerWaalsContact O-CD2 3.29Å; A142-Y144 WeakPolarHBondContact O-CD2 3.44Å; A142-Y144 WeakPolarHBondContact O-CE2 3.25Å; A142-I217 CarbonylContact C-O 3.54Å; A142-I217 WeakPolarHBondContact CA-O 3.43Å |
| 143 | L | 96.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -87.1 | 122.2 | 172.3 | -176.1 | 64.1 | 0 | 0 | 0 | 110.3 | I64 L123 Y134 F208 I217 V219 | I64-L143 HydrophobicContact CB-CB 4.31Å; I64-L143 HydrophobicContact CB-CD2 3.84Å; I64-L143 HydrophobicContact CB-CG 3.88Å; I64-L143 HydrophobicContact CG1-CD2 4.45Å; I64-L143 HydrophobicContact CG1-CG 4.21Å; I64-L143 HydrophobicContact CG2-CD2 3.79Å; I64-L143 HydrophobicContact CG2-CG 4.4Å; I64-L143 PolarHBondContact N-O 2.81Å; L123-L143 HydrophobicContact CD1-CD1 3.64Å; Y134-L143 HydrophobicContact CD1-CD1 4Å; Y134-L143 HydrophobicContact CD1-CD2 4.21Å; Y134-L143 HydrophobicContact CD1-CG 4.16Å; Y134-L143 HydrophobicContact CE1-CD2 4.35Å; Y134-L143 HydrophobicContact CG-CD1 4.13Å; L143-F208 HydrophobicContact CD1-CE1 3.66Å; L143-F208 HydrophobicContact CD1-CZ 3.79Å; L143-F208 HydrophobicContact CD2-CE1 3.84Å; L143-F208 HydrophobicContact CD2-CE2 3.92Å; L143-F208 HydrophobicContact CD2-CZ 3.48Å; L143-F208 VanDerWaalsContact CD2-CZ 3.48Å; L143-F208 HydrophobicContact CG-CE1 4.31Å; L143-F208 HydrophobicContact CG-CZ 4.28Å; L143-I217 HydrophobicContact CB-CB 3.99Å; L143-I217 HydrophobicContact CB-CG2 3.99Å; L143-I217 HydrophobicContact CD2-CB 4.15Å; L143-I217 HydrophobicContact CD2-CG2 3.88Å; L143-I217 PolarHBondContact N-O 2.87Å; L143-V219 HydrophobicContact CB-CG2 4.08Å; L143-V219 HydrophobicContact CD1-CG2 3.97Å | ||
| 144 | Y | 97.9 | Very high | 95.2 | Very high | 19 Ų | 19 | 47.9 Ų | 47.9 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 162.9 | 176.8 | -64 | -101.2 | 0 | 0 | 0 | 111 | D62 N63 Y134 I135 Y137 D140 A142 Y146 | D62-Y144 HydrophobicContact CB-CD1 4.12Å; D62-Y144 WeakPolarHBondContact O-CA 3.46Å; N63-Y144 WeakPolarHBondContact OD1-CD1 3.38Å; N63-Y144 WeakPolarHBondContact OD1-CE1 3.48Å; Y134-Y144 WeakPolarHBondContact CA-O 3.24Å; I135-Y144 PolarHBondContact N-O 2.72Å; I135-Y144 WeakPolarHBondContact O-CB 3.46Å; I135-Y144 PolarHBondContact O-N 3.03Å; Y137-Y144 AromaticContact CD2-CD2 3.63Å; Y137-Y144 HydrophobicContact CD2-CD2 3.63Å; Y137-Y144 AromaticContact CD2-CE2 3.63Å; Y137-Y144 HydrophobicContact CD2-CE2 3.63Å; Y137-Y144 HydrophobicContact CD2-CG 4.27Å; Y137-Y144 HydrophobicContact CE2-CD1 4.21Å; Y137-Y144 AromaticContact CE2-CD2 3.6Å; Y137-Y144 HydrophobicContact CE2-CD2 3.6Å; Y137-Y144 AromaticContact CE2-CE2 3.97Å; Y137-Y144 HydrophobicContact CE2-CE2 3.97Å; Y137-Y144 AromaticContact CE2-CG 3.76Å; Y137-Y144 HydrophobicContact CE2-CG 3.76Å; D140-Y144 VanDerWaalsContact CG-OH 3.25Å; D140-Y144 PolarHBondContact OD2-OH 2.73Å; A142-Y144 HydrophobicContact CB-CD2 4.4Å; A142-Y144 HydrophobicContact CB-CE2 3.67Å; A142-Y144 VanDerWaalsContact O-CD2 3.29Å; A142-Y144 WeakPolarHBondContact O-CD2 3.44Å; A142-Y144 WeakPolarHBondContact O-CE2 3.25Å; Y144-Y146 AromaticContact CD1-CE2 3.82Å; Y144-Y146 HydrophobicContact CD1-CE2 3.82Å; Y144-Y146 HydrophobicContact CG-CE2 4.02Å |
| 145 | A | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 123.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D62 I64 V126 L132 F133 Y134 | D62-A145 PolarHBondContact O-N 3.27Å; I64-A145 HydrophobicContact CD1-CB 3.64Å; I64-A145 HydrophobicContact CG1-CB 3.88Å; V126-A145 HydrophobicContact CG2-CB 4.38Å; L132-A145 HydrophobicContact CB-CB 4.45Å; L132-A145 HydrophobicContact CD1-CB 4.46Å; F133-A145 VanDerWaalsContact O-CA 3.26Å; F133-A145 WeakPolarHBondContact O-CA 3.25Å; Y134-A145 HydrophobicContact CD1-CB 4.35Å |
| 146 | Y | 96.8 | Very high | 95.3 | Very high | 34 Ų | 34 | 51 Ų | 51 | 13% | 0.133 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 158.9 | -179.1 | -71 | -77.9 | 0 | 0 | 0 | 111.7 | D62 F108 L132 F133 I135 Y137 Y144 L148 | D62-Y146 HydrophobicContact CB-CE1 3.73Å; D62-Y146 HydrophobicContact CB-CE2 4.18Å; D62-Y146 VanDerWaalsContact CB-CZ 3.46Å; D62-Y146 WeakPolarHBondContact CB-OH 3.24Å; D62-Y146 VanDerWaalsContact CG-OH 3.27Å; D62-Y146 WeakPolarHBondContact OD2-CE1 3.29Å; D62-Y146 PolarHBondContact OD2-OH 3.09Å; F108-Y146 HydrophobicContact CE1-CE1 4.36Å; F108-Y146 HydrophobicContact CZ-CE2 4.44Å; L132-Y146 WeakPolarHBondContact CA-O 3.42Å; F133-Y146 PolarHBondContact N-O 3.14Å; F133-Y146 PolarHBondContact O-N 3Å; I135-Y146 HydrophobicContact CG2-CD2 3.68Å; I135-Y146 HydrophobicContact CG2-CE2 4.39Å; Y137-Y146 HydrophobicContact CE2-CE2 4.16Å; Y137-Y146 WeakPolarHBondContact OH-CD2 3.38Å; Y137-Y146 VanDerWaalsContact OH-CE2 3.27Å; Y137-Y146 WeakPolarHBondContact OH-CE2 3.47Å; Y144-Y146 AromaticContact CD1-CE2 3.82Å; Y144-Y146 HydrophobicContact CD1-CE2 3.82Å; Y144-Y146 HydrophobicContact CG-CE2 4.02Å; Y146-L148 PolarHBondContact O-N 3.07Å |
| 147 | Q | 95.1 | Very high | 95.3 | Very high | 87 Ų | 87 | 50.3 Ų | 50.3 | 41% | 0.407 | 24% | 0.24 | S | C | . | . | trans | -81.3 | 63 | 171.6 | -67.6 | 179.8 | -35.6 | 0 | 0 | 110.5 | D131 L132 L149 D150 D151 | D131-Q147 WeakPolarHBondContact O-CA 3.42Å; D131-Q147 PolarHBondContact OD2-NE2 3.35Å; L132-Q147 HydrophobicContact CD2-CG 3.57Å; Q147-L149 PolarHBondContact O-N 3.39Å; Q147-D150 WeakPolarHBondContact O-CB 3.45Å; Q147-D150 PolarHBondContact O-N 2.99Å; Q147-D151 PolarHBondContact O-N 3.19Å | ||
| 148 | L | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.2 | -20.4 | -169.3 | -66.5 | -174.3 | 0 | 0 | 0 | 115.6 | L99 V122 F133 I135 Y146 Y152 L157 | L99-L148 HydrophobicContact CD1-CB 4.25Å; V122-L148 HydrophobicContact CB-CD1 4.35Å; V122-L148 HydrophobicContact CG1-CD1 3.9Å; V122-L148 HydrophobicContact CG2-CD1 3.58Å; F133-L148 HydrophobicContact CB-CB 4.28Å; F133-L148 HydrophobicContact CB-CD1 3.52Å; F133-L148 HydrophobicContact CB-CG 3.86Å; F133-L148 HydrophobicContact CD2-CB 3.91Å; F133-L148 HydrophobicContact CD2-CG 4.36Å; F133-L148 HydrophobicContact CG-CB 4.18Å; F133-L148 HydrophobicContact CG-CD1 4.09Å; F133-L148 HydrophobicContact CG-CG 4.3Å; I135-L148 HydrophobicContact CB-CD1 4.31Å; I135-L148 HydrophobicContact CD1-CD1 4.08Å; I135-L148 HydrophobicContact CD1-CD2 4.18Å; Y146-L148 PolarHBondContact O-N 3.07Å; L148-Y152 VanDerWaalsContact O-CB 3.32Å; L148-Y152 WeakPolarHBondContact O-CB 3.26Å; L148-Y152 PolarHBondContact O-N 2.94Å; L148-L157 HydrophobicContact CB-CD2 3.81Å; L148-L157 HydrophobicContact CD1-CD2 4.37Å; L148-L157 HydrophobicContact CD2-CD1 4.18Å; L148-L157 HydrophobicContact CD2-CD2 4.06Å; L148-L157 HydrophobicContact CG-CD2 4.3Å |
| 149 | L | 95.2 | Very high | 95.6 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.2 | -32.9 | 173.8 | -63 | 176.7 | 0 | 0 | 0 | 112.3 | V90 L95 A96 L99 F133 Q147 K153 | V90-L149 HydrophobicContact CG1-CD1 4.41Å; L95-L149 HydrophobicContact CB-CD2 4.05Å; L95-L149 HydrophobicContact CD2-CD2 3.69Å; L95-L149 HydrophobicContact CG-CD2 3.61Å; A96-L149 HydrophobicContact CB-CD1 4.4Å; A96-L149 HydrophobicContact CB-CD2 4.44Å; L99-L149 HydrophobicContact CD1-CD2 3.73Å; F133-L149 HydrophobicContact CE2-CD1 4.02Å; F133-L149 HydrophobicContact CE2-CD2 4.37Å; F133-L149 HydrophobicContact CE2-CG 3.67Å; F133-L149 HydrophobicContact CZ-CD1 4.08Å; F133-L149 HydrophobicContact CZ-CD2 4.14Å; F133-L149 HydrophobicContact CZ-CG 3.88Å; Q147-L149 PolarHBondContact O-N 3.39Å; L149-K153 VanDerWaalsContact O-CG 3.25Å; L149-K153 WeakPolarHBondContact O-CG 3.5Å; L149-K153 PolarHBondContact O-N 2.78Å |
| 150 | D | 94.4 | Very high | 95.6 | Very high | 31 Ų | 31 | 44.3 Ų | 44.3 | 17% | 0.166 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.8 | -48.2 | 173.1 | -68.8 | -43.7 | 0 | 0 | 0 | 109.7 | R91 Q147 Y152 K153 E154 | R91-D150 IonicContact CZ-OD1 3.97Å; R91-D150 IonicContact CZ-OD2 3.57Å; R91-D150 IonicContact NH1-OD1 3.43Å; R91-D150 PolarHBondContact NH1-OD1 2.83Å; R91-D150 IonicContact NH1-OD2 2.86Å; R91-D150 IonicContact NH2-OD1 3.26Å; R91-D150 PolarHBondContact NH2-OD1 3.33Å; R91-D150 IonicContact NH2-OD2 3.99Å; R91-D150 PolarHBondContact NH2-OD2 2.86Å; Q147-D150 WeakPolarHBondContact O-CB 3.45Å; Q147-D150 PolarHBondContact O-N 2.99Å; D150-Y152 PolarHBondContact O-N 3.43Å; D150-K153 PolarHBondContact O-N 2.8Å; D150-E154 WeakPolarHBondContact O-CG 3.49Å; D150-E154 PolarHBondContact O-N 2.86Å |
| 151 | D | 96.3 | Very high | 95.2 | Very high | 28 Ų | 28 | 46.7 Ų | 46.7 | 15% | 0.15 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -56.2 | -39.1 | 177 | -56.3 | -38.5 | 0 | 0 | 0 | 111.7 | H106 Q147 G155 N156 L157 | H106-D151 IonicContact CE1-OD2 2.68Å; H106-D151 IonicContact NE2-OD2 3.94Å; H106-D151 PolarHBondContact NE2-OD2 3Å; Q147-D151 PolarHBondContact O-N 3.19Å; D151-G155 PolarHBondContact O-N 2.87Å; D151-N156 HydrophobicContact CB-CB 4.23Å; D151-N156 CarbonylContact O-C 3.57Å; D151-N156 WeakPolarHBondContact O-CA 3.49Å; D151-N156 PolarHBondContact O-N 3.45Å; D151-L157 HydrophobicContact CB-CB 3.85Å; D151-L157 PolarHBondContact O-N 2.86Å |
| 152 | Y | 95.5 | Very high | 94.3 | Very high | 90 Ų | 90 | 49.8 Ų | 49.8 | 35% | 0.353 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 175.1 | -175.6 | -92.6 | 0 | 0 | 0 | 112.6 | L95 L148 D150 E154 G155 L157 M159 | L95-Y152 HydrophobicContact CD1-CD1 4.21Å; L95-Y152 HydrophobicContact CD1-CE1 4.05Å; L95-Y152 HydrophobicContact CD2-CD1 3.51Å; L95-Y152 HydrophobicContact CD2-CE1 3.93Å; L95-Y152 HydrophobicContact CD2-CG 4.11Å; L95-Y152 HydrophobicContact CG-CD1 4.48Å; L148-Y152 VanDerWaalsContact O-CB 3.32Å; L148-Y152 WeakPolarHBondContact O-CB 3.26Å; L148-Y152 PolarHBondContact O-N 2.94Å; D150-Y152 PolarHBondContact O-N 3.43Å; Y152-E154 VanDerWaalsContact C-N 3.32Å; Y152-E154 PolarHBondContact O-N 3.06Å; Y152-G155 PolarHBondContact O-N 3.36Å; Y152-L157 WeakPolarHBondContact CD2-O 3.45Å; Y152-M159 HydrophobicContact CE2-CE 3.77Å |
| 153 | K | 94.5 | Very high | 92.3 | Very high | 118 Ų | 118 | 55.5 Ų | 55.5 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.3 | -34.8 | 179.9 | -75.1 | 172.5 | -178.2 | -177.9 | 0 | 112.5 | L149 D150 G155 | L149-K153 VanDerWaalsContact O-CG 3.25Å; L149-K153 WeakPolarHBondContact O-CG 3.5Å; L149-K153 PolarHBondContact O-N 2.78Å; D150-K153 PolarHBondContact O-N 2.8Å; K153-G155 PolarHBondContact O-N 2.77Å |
| 154 | E | 95.3 | Very high | 89.6 | Confident | 132 Ų | 132 | 61 Ų | 61 | 62% | 0.617 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -7.4 | 177.2 | -67.2 | 175.9 | -175.3 | 0 | 0 | 112.7 | D150 Y152 N156 | D150-E154 WeakPolarHBondContact O-CG 3.49Å; D150-E154 PolarHBondContact O-N 2.86Å; Y152-E154 VanDerWaalsContact C-N 3.32Å; Y152-E154 PolarHBondContact O-N 3.06Å; E154-N156 VanDerWaalsContact C-N 3.3Å; E154-N156 PolarHBondContact OE2-ND2 2.89Å |
| 155 | G | 95.5 | Very high | 87 | Confident | 30 Ų | 30 | 64.5 Ų | 64.5 | 31% | 0.309 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.9 | 14.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D151 Y152 K153 H158 | D151-G155 PolarHBondContact O-N 2.87Å; Y152-G155 PolarHBondContact O-N 3.36Å; K153-G155 PolarHBondContact O-N 2.77Å; G155-H158 PolarHBondContact O-CE1 3.45Å; G155-H158 PolarHBondContact O-NE2 2.86Å |
| 156 | N | 96.8 | Very high | 84.1 | Confident | 48 Ų | 48 | 69.3 Ų | 69.3 | 26% | 0.257 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -85.6 | -15.8 | 175 | -66.2 | -37.3 | 0 | 0 | 0 | 112.5 | H106 K107 D151 E154 | H106-N156 PolarHBondContact CD2-O 3.14Å; K107-N156 HydrophobicContact CB-CB 4.43Å; K107-N156 WeakPolarHBondContact CB-O 3.29Å; K107-N156 PolarHBondContact N-O 3.19Å; D151-N156 HydrophobicContact CB-CB 4.23Å; D151-N156 CarbonylContact O-C 3.57Å; D151-N156 WeakPolarHBondContact O-CA 3.49Å; D151-N156 PolarHBondContact O-N 3.45Å; E154-N156 VanDerWaalsContact C-N 3.3Å; E154-N156 PolarHBondContact OE2-ND2 2.89Å |
| 157 | L | 97.6 | Very high | 81.1 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.005 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 126.7 | 177.2 | -168.1 | 77.1 | 0 | 0 | 0 | 111.7 | L99 V104 H106 L148 D151 Y152 | L99-L157 HydrophobicContact CD2-CD2 4Å; V104-L157 HydrophobicContact CB-CD1 3.94Å; V104-L157 HydrophobicContact CB-CG 4.44Å; V104-L157 HydrophobicContact CG1-CD1 4.4Å; V104-L157 HydrophobicContact CG1-CG 4.49Å; V104-L157 HydrophobicContact CG2-CD1 3.97Å; H106-L157 HydrophobicContact CB-CD1 3.74Å; L148-L157 HydrophobicContact CB-CD2 3.81Å; L148-L157 HydrophobicContact CD1-CD2 4.37Å; L148-L157 HydrophobicContact CD2-CD1 4.18Å; L148-L157 HydrophobicContact CD2-CD2 4.06Å; L148-L157 HydrophobicContact CG-CD2 4.3Å; D151-L157 HydrophobicContact CB-CB 3.85Å; D151-L157 PolarHBondContact O-N 2.86Å; Y152-L157 WeakPolarHBondContact CD2-O 3.45Å |
| 158 | H | 96.4 | Very high | 78.2 | Confident | 98 Ų | 98 | 80.2 Ų | 80.2 | 45% | 0.454 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.6 | 175.6 | -59.2 | -56.3 | 0 | 0 | 0 | 111.4 | V104 Q105 G155 | V104-H158 CarbonylContact C-O 3.52Å; V104-H158 VanDerWaalsContact CA-O 3.23Å; V104-H158 WeakPolarHBondContact CA-O 3.42Å; V104-H158 WeakPolarHBondContact CB-O 3.44Å; Q105-H158 PolarHBondContact N-O 3.37Å; Q105-H158 PolarHBondContact O-N 3Å; G155-H158 PolarHBondContact O-CE1 3.45Å; G155-H158 PolarHBondContact O-NE2 2.86Å |
| 159 | M | 94.4 | Very high | 75.2 | Confident | 62 Ų | 62 | 92 Ų | 92 | 31% | 0.305 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 128.4 | 170.1 | -67.2 | -177.6 | -77.4 | 0 | 0 | 109.5 | L95 L99 R102 Y152 | L95-M159 HydrophobicContact CD1-CE 4.44Å; L99-M159 HydrophobicContact CD2-CG 3.87Å; L99-M159 HydrophobicContact CD2-SD 4.03Å; R102-M159 HydrophobicContact CG-SD 4.32Å; Y152-M159 HydrophobicContact CE2-CE 3.77Å |
| 160 | I | 91.9 | Very high | 72.4 | Confident | 52 Ų | 52 | 97.1 Ų | 97.1 | 27% | 0.267 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -78.4 | 132.1 | 172.1 | -59.1 | 173.8 | 0 | 0 | 0 | 107 | R102 A103 R119 D162 | R102-I160 PolarHBondContact NH2-O 2.84Å; A103-I160 HydrophobicContact CB-CB 4.16Å; A103-I160 HydrophobicContact CB-CD1 4.28Å; A103-I160 PolarHBondContact O-N 2.81Å; R119-I160 HydrophobicContact CG-CD1 4.14Å; I160-D162 PolarHBondContact O-N 2.96Å |
| 161 | P | 85.8 | Confident | 69.5 | Low | 106 Ų | 106 | 99.9 Ų | 99.9 | 69% | 0.688 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 134.2 | 173 | -22.4 | 32.8 | 0 | 0 | 0 | 109.9 | T163 | P161-T163 PolarHBondContact O-N 2.88Š|
| 162 | D | 75.7 | Confident | 66.7 | Low | 101 Ų | 101 | 105.3 Ų | 105.3 | 54% | 0.54 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 121.2 | 175.2 | -60.1 | -32.3 | 0 | 0 | 0 | 107.6 | R102 I160 | R102-D162 VanDerWaalsContact CZ-CG 3.48Å; R102-D162 IonicContact CZ-OD1 3.97Å; R102-D162 IonicContact CZ-OD2 3.34Å; R102-D162 IonicContact NE-OD1 2.76Å; R102-D162 IonicContact NE-OD2 3.68Å; R102-D162 IonicContact NH1-OD1 3.61Å; R102-D162 IonicContact NH1-OD2 3.72Å; R102-D162 PolarHBondContact NH1-OD2 3.24Å; R102-D162 IonicContact NH2-OD1 3.28Å; R102-D162 PolarHBondContact NH2-OD1 2.97Å; R102-D162 IonicContact NH2-OD2 3.31Å; R102-D162 PolarHBondContact NH2-OD2 3.18Å; I160-D162 PolarHBondContact O-N 2.96Å |
| 163 | T | 53.2 | Low | 64.1 | Low | 124 Ų | 124 | 108.5 Ų | 108.5 | 76% | 0.761 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -69 | 128.3 | 159.8 | 37.1 | 0 | 0 | 0 | 0 | 107.2 | P161 | P161-T163 PolarHBondContact O-N 2.88Š|
| 164 | P | 40.9 | Very low | 61.6 | Low | 115 Ų | 115 | 105.1 Ų | 105.1 | 75% | 0.747 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 131.9 | 177.2 | 6.5 | -7.8 | 0 | 0 | 0 | 108.3 | A166 | P164-A166 PolarHBondContact O-N 3.43Š|
| 165 | P | 43.3 | Very low | 59.2 | Low | 94 Ų | 94 | 105.9 Ų | 105.9 | 61% | 0.61 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 129 | 178.6 | -16.7 | 28 | 0 | 0 | 0 | 108.5 | E167 E168 | P165-E167 VanDerWaalsContact C-N 3.3Å; P165-E167 PolarHBondContact O-N 2.79Å; P165-E168 HydrophobicContact CB-CB 4.15Å |
| 166 | A | 35.4 | Very low | 56.9 | Low | 102 Ų | 102 | 107.9 Ų | 107.9 | 84% | 0.843 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -63.2 | 103.2 | 155.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | P164 | P164-A166 PolarHBondContact O-N 3.43Š|
| 167 | E | 33 | Very low | 54.9 | Low | 194 Ų | 194 | 108.9 Ų | 108.9 | 91% | 0.907 | 62% | 0.619 | S | S | * | * | trans | 35.1 | 88.3 | 173.3 | -64 | -175 | 172.1 | 0 | 0 | 115.8 | P165 | P165-E167 VanDerWaalsContact C-N 3.3Å; P165-E167 PolarHBondContact O-N 2.79Å | ||
| 168 | E | 35 | Very low | 53 | Low | 155 Ų | 155 | 111.3 Ų | 111.3 | 72% | 0.724 | 63% | 0.631 | S | S | * | * | trans | -103.9 | 94.7 | 164.3 | -154.8 | 173.4 | -149.3 | 0 | 0 | 109.1 | P165 | P165-E168 HydrophobicContact CB-CB 4.15Š| ||
| 169 | R | 33 | Very low | 51.4 | Low | 247 Ų | 247 | 110.2 Ų | 110.2 | 93% | 0.932 | 63% | 0.632 | S | S | * | * | trans | -150 | 106.6 | 159.1 | -75.1 | -163.9 | 175.8 | 176.5 | -0.6 | 110.5 | ||||
| 170 | S | 37 | Very low | 50.2 | Low | 111 Ų | 111 | 113.5 Ų | 113.5 | 78% | 0.776 | 65% | 0.65 | S | S | * | * | -156.1 | 126.1 | 109.3 | 49.8 | 0 | 0 | 0 | 0 | 107.9 | D172 | S170-D172 PolarHBondContact O-N 3.31Š| |||
| 171 | G | 34.2 | Very low | 49.5 | Very low | 89 Ų | 89 | 116.4 Ų | 116.4 | 92% | 0.918 | 66% | 0.658 | S | S | * | * | trans | -72.1 | 106.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 172 | D | 37.5 | Very low | 49.2 | Very low | 143 Ų | 143 | 114.1 Ų | 114.1 | 77% | 0.765 | 64% | 0.638 | S | S | * | * | trans | -110.6 | 139.4 | 163.9 | -143.6 | 6.5 | 0 | 0 | 0 | 106.2 | S170 S174 | S170-D172 PolarHBondContact O-N 3.31Å; D172-S174 VanDerWaalsContact C-N 3.29Å; D172-S174 PolarHBondContact O-N 2.9Å | ||
| 173 | D | 39.5 | Very low | 49.6 | Very low | 157 Ų | 157 | 113.8 Ų | 113.8 | 84% | 0.84 | 63% | 0.633 | S | S | * | * | trans | -52.8 | 95.3 | 175.3 | -94.2 | -35 | 0 | 0 | 0 | 107.9 | D175 | D173-D175 PolarHBondContact O-N 2.93Š| ||
| 174 | S | 42.2 | Very low | 50.7 | Low | 47 Ų | 47 | 110.7 Ų | 110.7 | 33% | 0.329 | 61% | 0.608 | S | S | . | * | trans | -71.8 | 88.9 | 165 | 70.6 | 0 | 0 | 0 | 0 | 104.8 | D172 V176 Q199 | D172-S174 VanDerWaalsContact C-N 3.29Å; D172-S174 PolarHBondContact O-N 2.9Å; S174-V176 VanDerWaalsContact C-N 3.32Å; S174-V176 WeakPolarHBondContact O-CA 3.48Å; S174-V176 PolarHBondContact O-N 2.58Å; S174-Q199 PolarHBondContact OG-NE2 3.19Å | ||
| 175 | D | 45 | Very low | 52.5 | Low | 148 Ų | 148 | 109.6 Ų | 109.6 | 79% | 0.791 | 60% | 0.6 | S | S | * | * | trans | -45.2 | 110 | 163.2 | -105.7 | -19.1 | 0 | 0 | 0 | 105.4 | D173 L177 | D173-D175 PolarHBondContact O-N 2.93Å; D175-L177 PolarHBondContact O-N 3.38Å | ||
| 176 | V | 47.9 | Very low | 54.1 | Low | 72 Ų | 72 | 110.4 Ų | 110.4 | 44% | 0.436 | 59% | 0.59 | S | S | . | * | trans | -52.5 | 107.8 | -164.8 | 170.3 | 0 | 0 | 0 | 0 | 107 | S174 I178 | S174-V176 VanDerWaalsContact C-N 3.32Å; S174-V176 WeakPolarHBondContact O-CA 3.48Å; S174-V176 PolarHBondContact O-N 2.58Å; V176-I178 HydrophobicContact CG1-CB 3.64Å; V176-I178 HydrophobicContact CG1-CD1 3.08Å; V176-I178 HydrophobicContact CG1-CG1 3.19Å; V176-I178 PolarHBondContact O-N 3.37Å | ||
| 177 | L | 54.8 | Low | 56.2 | Low | 69 Ų | 69 | 116.4 Ų | 116.4 | 36% | 0.361 | 60% | 0.597 | S | S | . | * | trans | -64.3 | 27.9 | 176 | -81.1 | 169.4 | 0 | 0 | 0 | 112 | D175 V179 V196 M222 | D175-L177 PolarHBondContact O-N 3.38Å; L177-V179 PolarHBondContact O-N 2.85Å; L177-V196 VanDerWaalsContact O-CB 3.27Å; L177-V196 WeakPolarHBondContact O-CB 3.32Å; L177-V196 WeakPolarHBondContact O-CG2 3.27Å; L177-M222 HydrophobicContact CD1-CE 3.95Å; L177-M222 HydrophobicContact CD1-SD 4.4Å | ||
| 178 | I | 57.6 | Low | 58.6 | Low | 51 Ų | 51 | 112.2 Ų | 112.2 | 26% | 0.262 | 58% | 0.581 | S | S | . | * | trans | -76.5 | 62.5 | 165.9 | -59.3 | 171.6 | 0 | 0 | 0 | 106.2 | T49 V176 V196 | T49-I178 HydrophobicContact CG2-CD1 3.59Å; T49-I178 HydrophobicContact CG2-CG1 4.5Å; T49-I178 HydrophobicContact CG2-CG2 3.76Å; V176-I178 HydrophobicContact CG1-CB 3.64Å; V176-I178 HydrophobicContact CG1-CD1 3.08Å; V176-I178 HydrophobicContact CG1-CG1 3.19Å; V176-I178 PolarHBondContact O-N 3.37Å; I178-V196 HydrophobicContact CG1-CG1 4.1Å | ||
| 179 | V | 61.9 | Low | 60.8 | Low | 76 Ų | 76 | 107.2 Ų | 107.2 | 46% | 0.461 | 57% | 0.571 | S | S | . | * | trans | -110.3 | 152.8 | -177.6 | -176.2 | 0 | 0 | 0 | 0 | 106.6 | L177 | L177-V179 PolarHBondContact O-N 2.85Š| ||
| 180 | N | 69.2 | Low | 63.1 | Low | 131 Ų | 131 | 97.7 Ų | 97.7 | 70% | 0.701 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -38 | 163.9 | -176.7 | -70.8 | -36 | 0 | 0 | 0 | 115.1 | E182 | N180-E182 PolarHBondContact O-N 2.65Š|
| 181 | W | 77.6 | Confident | 65.3 | Low | 112 Ų | 112 | 98.7 Ų | 98.7 | 42% | 0.424 | 53% | 0.533 | S | S | . | . | trans | -42.1 | 111.6 | 174.4 | -72.5 | 109.8 | 0 | 0 | 0 | 112.3 | F193 R194 K195 K210 H212 | W181-F193 HydrophobicContact CB-CB 4.46Å; W181-F193 HydrophobicContact CB-CD1 4.38Å; W181-F193 HydrophobicContact CD2-CB 4.45Å; W181-F193 HydrophobicContact CE3-CB 3.84Å; W181-R194 CarbonylContact C-O 3.56Å; W181-R194 WeakPolarHBondContact CA-O 3.38Å; W181-R194 VanDerWaalsContact CE3-C 3.5Å; W181-K195 HydrophobicContact CD2-CB 4.08Å; W181-K195 HydrophobicContact CE3-CB 3.73Å; W181-K195 HydrophobicContact CH2-CB 4.3Å; W181-K195 HydrophobicContact CZ3-CB 3.85Å; W181-K210 WeakPolarHBondContact CZ3-O 3.49Å; W181-H212 HydrophobicContact CE3-CB 4.31Å; W181-H212 HydrophobicContact CH2-CB 3.97Å; W181-H212 HydrophobicContact CZ3-CB 3.79Å | ||
| 182 | E | 80.2 | Confident | 67.6 | Low | 59 Ų | 59 | 97.6 Ų | 97.6 | 28% | 0.276 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 131.6 | 176.3 | -66.2 | -173.6 | 166.4 | 0 | 0 | 109.2 | N180 F193 R194 | N180-E182 PolarHBondContact O-N 2.65Å; E182-F193 CarbonylContact O-C 3.57Å; E182-F193 VanDerWaalsContact O-CA 3.31Å; E182-F193 WeakPolarHBondContact O-CA 3.4Å; E182-R194 HydrophobicContact CB-CG 4.08Å; E182-R194 PolarHBondContact N-O 3.2Å; E182-R194 PolarHBondContact O-N 2.86Å; E182-R194 IonicContact OE2-CZ 3.11Å; E182-R194 IonicContact OE2-NE 2.65Å; E182-R194 PolarHBondContact OE2-NE 3.31Å; E182-R194 IonicContact OE2-NH2 3.37Å; E182-R194 PolarHBondContact OE2-NH2 3.03Å |
| 183 | Q | 82.3 | Confident | 70 | Confident | 94 Ų | 94 | 94.9 Ų | 94.9 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 133.6 | 170.3 | -176.5 | 167.7 | 100.1 | 0 | 0 | 109.7 | K191 K192 F193 | Q183-K191 HydrophobicContact CG-CB 4.07Å; Q183-K191 HydrophobicContact CG-CD 4.44Å; Q183-K191 HydrophobicContact CG-CG 4.19Å; Q183-K191 VanDerWaalsContact OE1-CD 3.26Å; Q183-K191 VanDerWaalsContact OE1-CE 3.28Å; Q183-K192 WeakPolarHBondContact CA-O 3.4Å; Q183-F193 HydrophobicContact CB-CD1 4.1Å; Q183-F193 HydrophobicContact CB-CE1 3.92Å; Q183-F193 HydrophobicContact CG-CE1 4.35Å; Q183-F193 VanDerWaalsContact NE2-CZ 3.27Å |
| 184 | Y | 77 | Confident | 72.3 | Confident | 59 Ų | 59 | 90.7 Ų | 90.7 | 23% | 0.231 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 148.6 | 166.5 | 82.1 | -77.5 | 0 | 0 | 0 | 110.4 | R186 K192 R194 F211 | Y184-R186 HydrophobicContact CE2-CG 3.68Å; Y184-K192 HydrophobicContact CD1-CB 3.98Å; Y184-K192 VanDerWaalsContact CD1-O 3.24Å; Y184-K192 WeakPolarHBondContact CD1-O 3.16Å; Y184-K192 HydrophobicContact CE1-CB 3.24Å; Y184-K192 HydrophobicContact CE1-CD 4.41Å; Y184-K192 HydrophobicContact CE1-CG 4.44Å; Y184-K192 PolarHBondContact N-O 2.92Å; Y184-K192 PolarHBondContact O-N 3Å; Y184-K192 WeakPolarHBondContact OH-CD 3.22Å; Y184-R194 HydrophobicContact CD1-CB 4.32Å; Y184-R194 HydrophobicContact CD1-CG 4.31Å; Y184-R194 HydrophobicContact CE1-CB 4.44Å; Y184-F211 HydrophobicContact CD1-CE1 4.08Å; Y184-F211 AromaticContact CE1-CD1 3.53Å; Y184-F211 HydrophobicContact CE1-CD1 3.53Å; Y184-F211 AromaticContact CE1-CE1 3.21Å; Y184-F211 HydrophobicContact CE1-CE1 3.21Å; Y184-F211 HydrophobicContact CE1-CZ 4.33Å; Y184-F211 AromaticContact CZ-CE1 3.55Å; Y184-F211 WeakPolarHBondContact OH-CE1 3.19Å |
| 185 | T | 78.9 | Confident | 74.5 | Confident | 92 Ų | 92 | 90.3 Ų | 90.3 | 56% | 0.564 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 123.3 | 177.6 | -52.2 | 0 | 0 | 0 | 0 | 108.8 | ||
| 186 | R | 77.4 | Confident | 76.5 | Confident | 110 Ų | 110 | 83.5 Ų | 83.5 | 42% | 0.415 | 41% | 0.413 | S | S | . | . | trans | -72.1 | 166.9 | 171.8 | -67.7 | -178.8 | 88.5 | -156.1 | 8 | 109.8 | Y184 D188 G189 S190 | Y184-R186 HydrophobicContact CE2-CG 3.68Å; R186-D188 WeakPolarHBondContact CB-OD1 2.79Å; R186-D188 IonicContact CZ-OD2 3.89Å; R186-D188 IonicContact NH1-OD2 3.13Å; R186-D188 PolarHBondContact NH1-OD2 2.77Å; R186-D188 PolarHBondContact O-N 3.28Å; R186-D188 VanDerWaalsContact O-N 3.14Å; R186-G189 PolarHBondContact O-N 2.95Å; R186-S190 WeakPolarHBondContact CD-OG 3.25Å; R186-S190 PolarHBondContact N-O 3.26Å | ||
| 187 | K | 79.1 | Confident | 78.5 | Confident | 229 Ų | 229 | 80.1 Ų | 80.1 | 100% | 0.996 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -27.3 | 176.8 | -68.9 | -172.3 | 177.2 | -175.7 | 0 | 113.6 | G189 | K187-G189 PolarHBondContact O-N 2.85Š|
| 188 | D | 84.4 | Confident | 80.1 | Confident | 105 Ų | 105 | 80 Ų | 80 | 56% | 0.561 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 2.2 | 177.1 | 61.1 | 15.6 | 0 | 0 | 0 | 113.3 | R186 S190 | R186-D188 WeakPolarHBondContact CB-OD1 2.79Å; R186-D188 IonicContact CZ-OD2 3.89Å; R186-D188 IonicContact NH1-OD2 3.13Å; R186-D188 PolarHBondContact NH1-OD2 2.77Å; R186-D188 PolarHBondContact O-N 3.28Å; R186-D188 VanDerWaalsContact O-N 3.14Å; D188-S190 VanDerWaalsContact CG-OG 3.32Å; D188-S190 PolarHBondContact O-N 3.35Å; D188-S190 VanDerWaalsContact OD1-CB 3.23Å; D188-S190 WeakPolarHBondContact OD1-CB 3.17Å; D188-S190 PolarHBondContact OD1-N 2.88Å; D188-S190 PolarHBondContact OD1-OG 3.33Å; D188-S190 PolarHBondContact OD2-OG 2.87Å |
| 189 | G | 79.7 | Confident | 81.4 | Confident | 50 Ų | 50 | 79 Ų | 79 | 52% | 0.515 | 38% | 0.382 | S | S | . | . | S | Bend | trans | 82.2 | -8.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | R186 K187 | R186-G189 PolarHBondContact O-N 2.95Å; K187-G189 PolarHBondContact O-N 2.85Å |
| 190 | S | 81.9 | Confident | 82.2 | Confident | 47 Ų | 47 | 76.1 Ų | 76.1 | 33% | 0.329 | 36% | 0.363 | S | S | . | . | trans | -69.5 | 141.3 | 177 | 68.9 | 0 | 0 | 0 | 0 | 111.2 | R186 D188 | R186-S190 WeakPolarHBondContact CD-OG 3.25Å; R186-S190 PolarHBondContact N-O 3.26Å; D188-S190 VanDerWaalsContact CG-OG 3.32Å; D188-S190 PolarHBondContact O-N 3.35Å; D188-S190 VanDerWaalsContact OD1-CB 3.23Å; D188-S190 WeakPolarHBondContact OD1-CB 3.17Å; D188-S190 PolarHBondContact OD1-N 2.88Å; D188-S190 PolarHBondContact OD1-OG 3.33Å; D188-S190 PolarHBondContact OD2-OG 2.87Å | ||
| 191 | K | 82.6 | Confident | 82.5 | Confident | 133 Ų | 133 | 77.7 Ų | 77.7 | 58% | 0.578 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 126.4 | 177.7 | -70 | 170.1 | 167.8 | -147 | 0 | 109.1 | Q183 | Q183-K191 HydrophobicContact CG-CB 4.07Å; Q183-K191 HydrophobicContact CG-CD 4.44Å; Q183-K191 HydrophobicContact CG-CG 4.19Å; Q183-K191 VanDerWaalsContact OE1-CD 3.26Å; Q183-K191 VanDerWaalsContact OE1-CE 3.28Å |
| 192 | K | 83.8 | Confident | 82.3 | Confident | 65 Ų | 65 | 76.5 Ų | 76.5 | 28% | 0.283 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 151.2 | 168.4 | -94.9 | -167.3 | 174.8 | -169.6 | 0 | 109.8 | Q183 Y184 | Q183-K192 WeakPolarHBondContact CA-O 3.4Å; Y184-K192 HydrophobicContact CD1-CB 3.98Å; Y184-K192 VanDerWaalsContact CD1-O 3.24Å; Y184-K192 WeakPolarHBondContact CD1-O 3.16Å; Y184-K192 HydrophobicContact CE1-CB 3.24Å; Y184-K192 HydrophobicContact CE1-CD 4.41Å; Y184-K192 HydrophobicContact CE1-CG 4.44Å; Y184-K192 PolarHBondContact N-O 2.92Å; Y184-K192 PolarHBondContact O-N 3Å; Y184-K192 WeakPolarHBondContact OH-CD 3.22Å |
| 193 | F | 86.5 | Confident | 82.1 | Confident | 86 Ų | 86 | 77 Ų | 77 | 38% | 0.377 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 135.3 | 172.9 | -63.2 | -87.4 | 0 | 0 | 0 | 109.7 | W181 E182 Q183 F211 H212 | W181-F193 HydrophobicContact CB-CB 4.46Å; W181-F193 HydrophobicContact CB-CD1 4.38Å; W181-F193 HydrophobicContact CD2-CB 4.45Å; W181-F193 HydrophobicContact CE3-CB 3.84Å; E182-F193 CarbonylContact O-C 3.57Å; E182-F193 VanDerWaalsContact O-CA 3.31Å; E182-F193 WeakPolarHBondContact O-CA 3.4Å; Q183-F193 HydrophobicContact CB-CD1 4.1Å; Q183-F193 HydrophobicContact CB-CE1 3.92Å; Q183-F193 HydrophobicContact CG-CE1 4.35Å; Q183-F193 VanDerWaalsContact NE2-CZ 3.27Å; F193-F211 WeakPolarHBondContact O-CA 3.4Å; F193-H212 HydrophobicContact CB-CB 3.94Å; F193-H212 PolarHBondContact O-N 3.38Å |
| 194 | R | 87.8 | Confident | 81.9 | Confident | 69 Ų | 69 | 75.9 Ų | 75.9 | 26% | 0.26 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 153.3 | 175.5 | 74.1 | -179.2 | -176.2 | -177.3 | 1.5 | 110 | W181 E182 Y184 I209 K210 F211 | W181-R194 CarbonylContact C-O 3.56Å; W181-R194 WeakPolarHBondContact CA-O 3.38Å; W181-R194 VanDerWaalsContact CE3-C 3.5Å; E182-R194 HydrophobicContact CB-CG 4.08Å; E182-R194 PolarHBondContact N-O 3.2Å; E182-R194 PolarHBondContact O-N 2.86Å; E182-R194 IonicContact OE2-CZ 3.11Å; E182-R194 IonicContact OE2-NE 2.65Å; E182-R194 PolarHBondContact OE2-NE 3.31Å; E182-R194 IonicContact OE2-NH2 3.37Å; E182-R194 PolarHBondContact OE2-NH2 3.03Å; Y184-R194 HydrophobicContact CD1-CB 4.32Å; Y184-R194 HydrophobicContact CD1-CG 4.31Å; Y184-R194 HydrophobicContact CE1-CB 4.44Å; R194-I209 HydrophobicContact CB-CG2 3.96Å; R194-K210 CarbonylContact C-O 3.47Å; R194-K210 WeakPolarHBondContact CA-O 3.41Å; R194-F211 HydrophobicContact CB-CD1 3.5Å; R194-F211 HydrophobicContact CB-CE1 3.48Å; R194-F211 VanDerWaalsContact CB-CE1 3.48Å; R194-F211 HydrophobicContact CB-CZ 4.5Å; R194-F211 HydrophobicContact CG-CE1 4.46Å |
| 195 | K | 88.4 | Confident | 82.1 | Confident | 39 Ų | 39 | 74.9 Ų | 74.9 | 17% | 0.17 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 133.6 | 173.4 | -178.4 | 175.1 | 177.8 | -179.9 | 0 | 108.5 | W181 V197 I209 K210 | W181-K195 HydrophobicContact CD2-CB 4.08Å; W181-K195 HydrophobicContact CE3-CB 3.73Å; W181-K195 HydrophobicContact CH2-CB 4.3Å; W181-K195 HydrophobicContact CZ3-CB 3.85Å; K195-V197 HydrophobicContact CB-CG1 4.38Å; K195-V197 HydrophobicContact CD-CG1 4.4Å; K195-V197 HydrophobicContact CG-CG1 4.15Å; K195-V197 PolarHBondContact O-N 3.01Å; K195-I209 WeakPolarHBondContact O-CA 3.29Å; K195-K210 PolarHBondContact N-O 3.49Å; K195-K210 PolarHBondContact O-N 3.14Å |
| 196 | V | 88.2 | Confident | 82.4 | Confident | 5 Ų | 5 | 70.9 Ų | 70.9 | 3% | 0.03 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 119.5 | 164.9 | 177.9 | 0 | 0 | 0 | 0 | 107.1 | L177 I178 Y207 F208 I209 | L177-V196 VanDerWaalsContact O-CB 3.27Å; L177-V196 WeakPolarHBondContact O-CB 3.32Å; L177-V196 WeakPolarHBondContact O-CG2 3.27Å; I178-V196 HydrophobicContact CG1-CG1 4.1Å; V196-Y207 HydrophobicContact CG1-CD1 3.57Å; V196-Y207 HydrophobicContact CG1-CE1 4.41Å; V196-Y207 HydrophobicContact CG1-CG 4.26Å; V196-F208 WeakPolarHBondContact CA-O 3.23Å; V196-I209 HydrophobicContact CG2-CG1 4.44Å |
| 197 | V | 89.6 | Confident | 82.9 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.012 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | -16.4 | -175.4 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | L47 T49 L53 K195 F208 K210 I217 | L47-V197 HydrophobicContact CD1-CB 3.69Å; L47-V197 HydrophobicContact CD1-CG2 3.56Å; T49-V197 PolarHBondContact OG1-O 2.85Å; L53-V197 HydrophobicContact CD2-CB 4.23Å; L53-V197 HydrophobicContact CD2-CG1 3.9Å; L53-V197 HydrophobicContact CD2-CG2 4.49Å; K195-V197 HydrophobicContact CB-CG1 4.38Å; K195-V197 HydrophobicContact CD-CG1 4.4Å; K195-V197 HydrophobicContact CG-CG1 4.15Å; K195-V197 PolarHBondContact O-N 3.01Å; V197-F208 HydrophobicContact CG2-CB 3.72Å; V197-F208 WeakPolarHBondContact CG2-O 3.37Å; V197-F208 PolarHBondContact N-O 3.19Å; V197-K210 HydrophobicContact CG1-CB 3.62Å; V197-K210 HydrophobicContact CG2-CB 4.27Å; V197-I217 HydrophobicContact CG2-CD1 4.2Å |
| 198 | Y | 88 | Confident | 83.5 | Confident | 65 Ų | 65 | 55.4 Ų | 55.4 | 26% | 0.255 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 147.8 | 176.9 | -175.4 | -104.3 | 0 | 0 | 0 | 110.8 | L47 P48 F200 Y207 F208 | L47-Y198 HydrophobicContact CD2-CD2 4.43Å; L47-Y198 HydrophobicContact CD2-CG 4.47Å; P48-Y198 HydrophobicContact CG-CD2 4.46Å; Y198-F200 HydrophobicContact CD1-CD2 4.07Å; Y198-F200 HydrophobicContact CD1-CE2 4.1Å; Y198-F200 HydrophobicContact CE1-CD1 4.35Å; Y198-F200 HydrophobicContact CE1-CD2 4.01Å; Y198-F200 HydrophobicContact CE1-CE1 4.48Å; Y198-F200 HydrophobicContact CE1-CE2 4.17Å; Y198-F200 HydrophobicContact CE1-CG 4.11Å; Y198-F200 HydrophobicContact CE1-CZ 4.4Å; Y198-Y207 CarbonylContact O-C 3.54Å; Y198-Y207 VanDerWaalsContact O-CA 3.31Å; Y198-Y207 WeakPolarHBondContact O-CA 3.4Å; Y198-F208 AromaticContact CD1-CD2 3.8Å; Y198-F208 HydrophobicContact CD1-CD2 3.8Å; Y198-F208 AromaticContact CD1-CE2 4Å; Y198-F208 HydrophobicContact CD1-CE2 4Å; Y198-F208 HydrophobicContact CD1-CG 4.31Å; Y198-F208 HydrophobicContact CG-CD2 4.06Å; Y198-F208 PolarHBondContact N-O 2.94Å; Y198-F208 PolarHBondContact O-N 2.98Å |
| 199 | Q | 84.9 | Confident | 83.8 | Confident | 31 Ų | 31 | 50.5 Ų | 50.5 | 15% | 0.145 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136.5 | 172 | -177.4 | -179 | 18.7 | 0 | 0 | 108.6 | S174 P204 Y207 | S174-Q199 PolarHBondContact OG-NE2 3.19Å; Q199-P204 PolarHBondContact NE2-O 2.78Å; Q199-Y207 HydrophobicContact CB-CD1 3.82Å; Q199-Y207 HydrophobicContact CB-CE1 3.81Å; Q199-Y207 HydrophobicContact CG-CD1 3.87Å; Q199-Y207 HydrophobicContact CG-CE1 3.48Å; Q199-Y207 VanDerWaalsContact CG-CE1 3.48Å; Q199-Y207 PolarHBondContact NE2-OH 2.92Å; Q199-Y207 VanDerWaalsContact NE2-OH 3.09Å |
| 200 | F | 78.8 | Confident | 84.3 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 7% | 0.066 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 124.6 | -179.8 | -83.7 | -102.2 | 0 | 0 | 0 | 111.8 | L123 A124 Y198 A202 N203 P204 V206 F208 | L123-F200 HydrophobicContact CB-CE1 3.77Å; L123-F200 HydrophobicContact CB-CZ 3.72Å; L123-F200 HydrophobicContact CD1-CZ 4.21Å; L123-F200 HydrophobicContact CG-CZ 4.49Å; A124-F200 HydrophobicContact CB-CE1 3.89Å; Y198-F200 HydrophobicContact CD1-CD2 4.07Å; Y198-F200 HydrophobicContact CD1-CE2 4.1Å; Y198-F200 HydrophobicContact CE1-CD1 4.35Å; Y198-F200 HydrophobicContact CE1-CD2 4.01Å; Y198-F200 HydrophobicContact CE1-CE1 4.48Å; Y198-F200 HydrophobicContact CE1-CE2 4.17Å; Y198-F200 HydrophobicContact CE1-CG 4.11Å; Y198-F200 HydrophobicContact CE1-CZ 4.4Å; F200-A202 VanDerWaalsContact C-N 3.3Å; F200-A202 PolarHBondContact O-N 3.22Å; F200-N203 WeakPolarHBondContact CB-O 2.94Å; F200-N203 CarbonylContact O-C 3.43Å; F200-N203 PolarHBondContact O-N 3.5Å; F200-N203 VanDerWaalsContact O-O 3.07Å; F200-P204 WeakPolarHBondContact O-CA 3.27Å; F200-V206 HydrophobicContact CB-CB 4.46Å; F200-V206 HydrophobicContact CD2-CB 4.26Å; F200-V206 HydrophobicContact CD2-CG1 3.83Å; F200-V206 HydrophobicContact CE2-CG1 4.18Å; F200-V206 PolarHBondContact N-O 3.05Å; F200-F208 HydrophobicContact CD2-CE1 4.48Å; F200-F208 AromaticContact CE2-CD1 3.68Å; F200-F208 HydrophobicContact CE2-CD1 3.68Å; F200-F208 AromaticContact CE2-CE1 3.21Å; F200-F208 HydrophobicContact CE2-CE1 3.21Å; F200-F208 HydrophobicContact CE2-CE2 4.22Å; F200-F208 HydrophobicContact CE2-CG 4.38Å; F200-F208 AromaticContact CE2-CZ 3.52Å; F200-F208 HydrophobicContact CE2-CZ 3.52Å; F200-F208 HydrophobicContact CZ-CD1 4.35Å; F200-F208 AromaticContact CZ-CE1 3.45Å; F200-F208 HydrophobicContact CZ-CE1 3.45Å; F200-F208 VanDerWaalsContact CZ-CE1 3.45Å; F200-F208 HydrophobicContact CZ-CE2 4.22Å; F200-F208 AromaticContact CZ-CZ 3.36Å; F200-F208 HydrophobicContact CZ-CZ 3.36Å |
| 201 | L | 74.8 | Confident | 84.7 | Confident | 164 Ų | 164 | 47.1 Ų | 47.1 | 86% | 0.859 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -37.4 | 174.1 | -64.2 | 176 | 0 | 0 | 0 | 112.7 | N203 | L201-N203 VanDerWaalsContact C-N 3.31Š|
| 202 | A | 73.2 | Confident | 85 | Confident | 88 Ų | 88 | 46.6 Ų | 46.6 | 73% | 0.727 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.8 | -18.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | F200 | F200-A202 VanDerWaalsContact C-N 3.3Å; F200-A202 PolarHBondContact O-N 3.22Å |
| 203 | N | 76.5 | Confident | 85.1 | Confident | 69 Ų | 69 | 46 Ų | 46 | 37% | 0.369 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 89.2 | 176.5 | -170.3 | -27.7 | 0 | 0 | 0 | 108.8 | F200 L201 S205 V206 | F200-N203 WeakPolarHBondContact CB-O 2.94Å; F200-N203 CarbonylContact O-C 3.43Å; F200-N203 PolarHBondContact O-N 3.5Å; F200-N203 VanDerWaalsContact O-O 3.07Å; L201-N203 VanDerWaalsContact C-N 3.31Å; N203-S205 PolarHBondContact O-N 3.45Å; N203-S205 PolarHBondContact OD1-N 3.24Å; N203-V206 HydrophobicContact CB-CB 4.44Å; N203-V206 HydrophobicContact CB-CG2 4.1Å; N203-V206 PolarHBondContact O-N 2.78Å |
| 204 | P | 79.3 | Confident | 85.4 | Confident | 70 Ų | 70 | 43.4 Ų | 43.4 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | -20.3 | -173.7 | -24.9 | 34.5 | 0 | 0 | 0 | 114 | Q199 F200 V206 Y207 | Q199-P204 PolarHBondContact NE2-O 2.78Å; F200-P204 WeakPolarHBondContact O-CA 3.27Å; P204-V206 PolarHBondContact O-N 2.74Å; P204-Y207 WeakPolarHBondContact O-CE2 3.23Å; P204-Y207 VanDerWaalsContact O-CZ 3.23Å; P204-Y207 PolarHBondContact O-OH 3Å |
| 205 | S | 80.5 | Confident | 85.7 | Confident | 38 Ų | 38 | 41.9 Ų | 41.9 | 27% | 0.266 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | -10 | 176.5 | -54.6 | 0 | 0 | 0 | 0 | 112.9 | N203 Y207 T221 M222 | N203-S205 PolarHBondContact O-N 3.45Å; N203-S205 PolarHBondContact OD1-N 3.24Å; S205-Y207 VanDerWaalsContact C-CE2 3.49Å; S205-Y207 VanDerWaalsContact O-CD2 3.29Å; S205-Y207 WeakPolarHBondContact O-CD2 3.5Å; S205-Y207 VanDerWaalsContact O-CE2 3.29Å; S205-Y207 WeakPolarHBondContact O-CE2 3Å; S205-T221 CarbonylContact O-C 3.05Å; S205-T221 WeakPolarHBondContact O-CA 3.38Å; S205-T221 WeakPolarHBondContact O-CG2 3.41Å; S205-M222 PolarHBondContact O-N 2.87Å |
| 206 | V | 84.6 | Confident | 86 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 6% | 0.055 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 130.9 | -176.2 | -179.6 | 0 | 0 | 0 | 0 | 111.8 | L123 F200 N203 P204 V219 | L123-V206 HydrophobicContact CD2-CG1 4.14Å; F200-V206 HydrophobicContact CB-CB 4.46Å; F200-V206 HydrophobicContact CD2-CB 4.26Å; F200-V206 HydrophobicContact CD2-CG1 3.83Å; F200-V206 HydrophobicContact CE2-CG1 4.18Å; F200-V206 PolarHBondContact N-O 3.05Å; N203-V206 HydrophobicContact CB-CB 4.44Å; N203-V206 HydrophobicContact CB-CG2 4.1Å; N203-V206 PolarHBondContact O-N 2.78Å; P204-V206 PolarHBondContact O-N 2.74Å; V206-V219 HydrophobicContact CG1-CG1 3.57Å |
| 207 | Y | 88.9 | Confident | 86.4 | Confident | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.035 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 143.1 | -173 | -60.5 | -91.9 | 0 | 0 | 0 | 112.2 | V196 Y198 Q199 P204 S205 V219 Y220 M222 | V196-Y207 HydrophobicContact CG1-CD1 3.57Å; V196-Y207 HydrophobicContact CG1-CE1 4.41Å; V196-Y207 HydrophobicContact CG1-CG 4.26Å; Y198-Y207 CarbonylContact O-C 3.54Å; Y198-Y207 VanDerWaalsContact O-CA 3.31Å; Y198-Y207 WeakPolarHBondContact O-CA 3.4Å; Q199-Y207 HydrophobicContact CB-CD1 3.82Å; Q199-Y207 HydrophobicContact CB-CE1 3.81Å; Q199-Y207 HydrophobicContact CG-CD1 3.87Å; Q199-Y207 HydrophobicContact CG-CE1 3.48Å; Q199-Y207 VanDerWaalsContact CG-CE1 3.48Å; Q199-Y207 PolarHBondContact NE2-OH 2.92Å; Q199-Y207 VanDerWaalsContact NE2-OH 3.09Å; P204-Y207 WeakPolarHBondContact O-CE2 3.23Å; P204-Y207 VanDerWaalsContact O-CZ 3.23Å; P204-Y207 PolarHBondContact O-OH 3Å; S205-Y207 VanDerWaalsContact C-CE2 3.49Å; S205-Y207 VanDerWaalsContact O-CD2 3.29Å; S205-Y207 WeakPolarHBondContact O-CD2 3.5Å; S205-Y207 VanDerWaalsContact O-CE2 3.29Å; S205-Y207 WeakPolarHBondContact O-CE2 3Å; Y207-V219 WeakPolarHBondContact O-CA 3.49Å; Y207-Y220 PolarHBondContact N-O 2.72Å; Y207-Y220 PolarHBondContact O-N 2.75Å; Y207-M222 HydrophobicContact CD2-CB 3.86Å; Y207-M222 HydrophobicContact CD2-CG 3.86Å; Y207-M222 HydrophobicContact CE2-CB 3.67Å; Y207-M222 HydrophobicContact CE2-CG 4.16Å |
| 208 | F | 91.5 | Very high | 86.6 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 128.4 | 159.9 | -67 | -18.6 | 0 | 0 | 0 | 110.2 | L55 L123 L143 V196 V197 Y198 F200 I217 Y218 V219 | L55-F208 HydrophobicContact CD1-CE2 4.31Å; L123-F208 HydrophobicContact CD1-CE1 4.22Å; L143-F208 HydrophobicContact CD1-CE1 3.66Å; L143-F208 HydrophobicContact CD1-CZ 3.79Å; L143-F208 HydrophobicContact CD2-CE1 3.84Å; L143-F208 HydrophobicContact CD2-CE2 3.92Å; L143-F208 HydrophobicContact CD2-CZ 3.48Å; L143-F208 VanDerWaalsContact CD2-CZ 3.48Å; L143-F208 HydrophobicContact CG-CE1 4.31Å; L143-F208 HydrophobicContact CG-CZ 4.28Å; V196-F208 WeakPolarHBondContact CA-O 3.23Å; V197-F208 HydrophobicContact CG2-CB 3.72Å; V197-F208 WeakPolarHBondContact CG2-O 3.37Å; V197-F208 PolarHBondContact N-O 3.19Å; Y198-F208 AromaticContact CD1-CD2 3.8Å; Y198-F208 HydrophobicContact CD1-CD2 3.8Å; Y198-F208 AromaticContact CD1-CE2 4Å; Y198-F208 HydrophobicContact CD1-CE2 4Å; Y198-F208 HydrophobicContact CD1-CG 4.31Å; Y198-F208 HydrophobicContact CG-CD2 4.06Å; Y198-F208 PolarHBondContact N-O 2.94Å; Y198-F208 PolarHBondContact O-N 2.98Å; F200-F208 HydrophobicContact CD2-CE1 4.48Å; F200-F208 AromaticContact CE2-CD1 3.68Å; F200-F208 HydrophobicContact CE2-CD1 3.68Å; F200-F208 AromaticContact CE2-CE1 3.21Å; F200-F208 HydrophobicContact CE2-CE1 3.21Å; F200-F208 HydrophobicContact CE2-CE2 4.22Å; F200-F208 HydrophobicContact CE2-CG 4.38Å; F200-F208 AromaticContact CE2-CZ 3.52Å; F200-F208 HydrophobicContact CE2-CZ 3.52Å; F200-F208 HydrophobicContact CZ-CD1 4.35Å; F200-F208 AromaticContact CZ-CE1 3.45Å; F200-F208 HydrophobicContact CZ-CE1 3.45Å; F200-F208 VanDerWaalsContact CZ-CE1 3.45Å; F200-F208 HydrophobicContact CZ-CE2 4.22Å; F200-F208 AromaticContact CZ-CZ 3.36Å; F200-F208 HydrophobicContact CZ-CZ 3.36Å; F208-I217 HydrophobicContact CB-CG2 3.73Å; F208-I217 HydrophobicContact CD1-CG2 3.86Å; F208-I217 HydrophobicContact CD2-CG2 4.09Å; F208-I217 HydrophobicContact CE1-CG2 4.42Å; F208-I217 HydrophobicContact CG-CG2 3.65Å; F208-Y218 CarbonylContact C-O 3.54Å; F208-Y218 VanDerWaalsContact CA-O 3.31Å; F208-Y218 WeakPolarHBondContact CA-O 3.5Å; F208-V219 HydrophobicContact CD1-CG2 3.94Å; F208-V219 HydrophobicContact CE1-CG2 3.87Å |
| 209 | I | 90.5 | Very high | 86.8 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.01 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 130.7 | 178.2 | -58 | -169.7 | 0 | 0 | 0 | 108.9 | R194 K195 V196 F211 Y218 Y220 | R194-I209 HydrophobicContact CB-CG2 3.96Å; K195-I209 WeakPolarHBondContact O-CA 3.29Å; V196-I209 HydrophobicContact CG2-CG1 4.44Å; I209-F211 HydrophobicContact CG2-CE1 4.44Å; I209-F211 HydrophobicContact CG2-CE2 4.4Å; I209-F211 HydrophobicContact CG2-CZ 4.2Å; I209-Y218 PolarHBondContact N-O 3.46Å; I209-Y218 PolarHBondContact O-N 2.87Å; I209-Y220 HydrophobicContact CB-CD2 4.18Å; I209-Y220 HydrophobicContact CD1-CD2 3.61Å; I209-Y220 HydrophobicContact CD1-CE2 4.45Å; I209-Y220 HydrophobicContact CD1-CG 3.88Å; I209-Y220 HydrophobicContact CG1-CD2 4.06Å |
| 210 | K | 91.3 | Very high | 86.9 | Confident | 13 Ų | 13 | 44.3 Ų | 44.3 | 6% | 0.057 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.2 | 173.1 | -170.4 | 78.6 | -162.4 | 74.2 | 0 | 109.1 | L53 G66 W181 R194 K195 V197 D214 H216 I217 | L53-K210 HydrophobicContact CD2-CD 4.49Å; L53-K210 HydrophobicContact CD2-CG 4.48Å; G66-K210 WeakPolarHBondContact O-CE 3.15Å; W181-K210 WeakPolarHBondContact CZ3-O 3.49Å; R194-K210 CarbonylContact C-O 3.47Å; R194-K210 WeakPolarHBondContact CA-O 3.41Å; K195-K210 PolarHBondContact N-O 3.49Å; K195-K210 PolarHBondContact O-N 3.14Å; V197-K210 HydrophobicContact CG1-CB 3.62Å; V197-K210 HydrophobicContact CG2-CB 4.27Å; K210-D214 WeakPolarHBondContact CE-O 3.38Å; K210-D214 PolarHBondContact NZ-O 2.84Å; K210-H216 WeakPolarHBondContact CD-O 3.02Å; K210-H216 WeakPolarHBondContact CE-O 3.39Å; K210-H216 PolarHBondContact NZ-O 2.81Å; K210-H216 VanDerWaalsContact NZ-O 3.08Å; K210-I217 HydrophobicContact CD-CD1 3.68Å |
| 211 | F | 90 | Very high | 87 | Confident | 14 Ų | 14 | 48.2 Ų | 48.2 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 145.9 | 167.4 | -63.3 | -75.1 | 0 | 0 | 0 | 110.9 | Y184 F193 R194 I209 D214 Y218 | Y184-F211 HydrophobicContact CD1-CE1 4.08Å; Y184-F211 AromaticContact CE1-CD1 3.53Å; Y184-F211 HydrophobicContact CE1-CD1 3.53Å; Y184-F211 AromaticContact CE1-CE1 3.21Å; Y184-F211 HydrophobicContact CE1-CE1 3.21Å; Y184-F211 HydrophobicContact CE1-CZ 4.33Å; Y184-F211 AromaticContact CZ-CE1 3.55Å; Y184-F211 WeakPolarHBondContact OH-CE1 3.19Å; F193-F211 WeakPolarHBondContact O-CA 3.4Å; R194-F211 HydrophobicContact CB-CD1 3.5Å; R194-F211 HydrophobicContact CB-CE1 3.48Å; R194-F211 VanDerWaalsContact CB-CE1 3.48Å; R194-F211 HydrophobicContact CB-CZ 4.5Å; R194-F211 HydrophobicContact CG-CE1 4.46Å; I209-F211 HydrophobicContact CG2-CE1 4.44Å; I209-F211 HydrophobicContact CG2-CE2 4.4Å; I209-F211 HydrophobicContact CG2-CZ 4.2Å; F211-D214 HydrophobicContact CB-CB 4.07Å; F211-D214 PolarHBondContact O-N 2.91Å; F211-Y218 AromaticContact CD2-CD2 3.36Å; F211-Y218 HydrophobicContact CD2-CD2 3.36Å; F211-Y218 AromaticContact CD2-CE2 3.41Å; F211-Y218 HydrophobicContact CD2-CE2 3.41Å; F211-Y218 VanDerWaalsContact CD2-CE2 3.41Å; F211-Y218 HydrophobicContact CD2-CG 4.19Å; F211-Y218 HydrophobicContact CE2-CD1 4.45Å; F211-Y218 AromaticContact CE2-CD2 3.45Å; F211-Y218 HydrophobicContact CE2-CD2 3.45Å; F211-Y218 VanDerWaalsContact CE2-CD2 3.45Å; F211-Y218 AromaticContact CE2-CE2 3.79Å; F211-Y218 HydrophobicContact CE2-CE2 3.79Å; F211-Y218 AromaticContact CE2-CG 3.81Å; F211-Y218 HydrophobicContact CE2-CG 3.81Å |
| 212 | H | 87.8 | Confident | 86.7 | Confident | 122 Ų | 122 | 42.8 Ų | 42.8 | 57% | 0.565 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 137.2 | 175.1 | -172.5 | 76.2 | 0 | 0 | 0 | 110.7 | W181 F193 D214 | W181-H212 HydrophobicContact CE3-CB 4.31Å; W181-H212 HydrophobicContact CH2-CB 3.97Å; W181-H212 HydrophobicContact CZ3-CB 3.79Å; F193-H212 HydrophobicContact CB-CB 3.94Å; F193-H212 PolarHBondContact O-N 3.38Å; H212-D214 PolarHBondContact O-N 2.86Å |
| 213 | G | 86.4 | Confident | 85.9 | Confident | 51 Ų | 51 | 44.4 Ų | 44.4 | 53% | 0.526 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | -22.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | R74 | R74-G213 PolarHBondContact NH1-O 3.4Š|
| 214 | D | 92.2 | Very high | 84.5 | Confident | 33 Ų | 33 | 45.8 Ų | 45.8 | 18% | 0.176 | 26% | 0.259 | C | S | . | . | trans | -72.5 | 166.6 | 173.4 | -152.6 | -41.5 | 0 | 0 | 0 | 110.3 | K210 F211 H212 H216 Y218 | K210-D214 WeakPolarHBondContact CE-O 3.38Å; K210-D214 PolarHBondContact NZ-O 2.84Å; F211-D214 HydrophobicContact CB-CB 4.07Å; F211-D214 PolarHBondContact O-N 2.91Å; H212-D214 PolarHBondContact O-N 2.86Å; D214-H216 IonicContact OD1-CE1 3.71Å; D214-H216 IonicContact OD1-CG 3.83Å; D214-H216 PolarHBondContact OD1-N 2.83Å; D214-H216 IonicContact OD1-ND1 2.73Å; D214-H216 PolarHBondContact OD1-ND1 3.27Å; D214-Y218 PolarHBondContact OD2-OH 2.84Å; D214-Y218 VanDerWaalsContact OD2-OH 3.14Å | ||
| 215 | I | 93.9 | Very high | 82.5 | Confident | 36 Ų | 36 | 51.8 Ų | 51.8 | 19% | 0.185 | 28% | 0.278 | C | S | . | . | trans | -115.8 | -14.5 | 170.7 | 56.2 | 168.3 | 0 | 0 | 0 | 112.3 | W29 Y65 G66 Q67 | W29-I215 HydrophobicContact CH2-CG2 3.78Å; W29-I215 HydrophobicContact CZ2-CG2 4.35Å; Y65-I215 WeakPolarHBondContact CA-O 3.46Å; Y65-I215 HydrophobicContact CD1-CB 3.94Å; Y65-I215 HydrophobicContact CD1-CD1 3.49Å; Y65-I215 VanDerWaalsContact CD1-CD1 3.49Å; Y65-I215 HydrophobicContact CD1-CG1 3.56Å; Y65-I215 HydrophobicContact CE1-CD1 3.5Å; Y65-I215 VanDerWaalsContact CE1-CD1 3.5Å; Y65-I215 HydrophobicContact CE1-CG1 3.79Å; G66-I215 PolarHBondContact N-O 3.26Å; Q67-I215 VanDerWaalsContact NE2-CG2 3.35Å | ||
| 216 | H | 96.3 | Very high | 80.1 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 21% | 0.213 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -72.8 | 150.2 | 177.8 | -60.3 | 86.9 | 0 | 0 | 0 | 111.6 | N63 Y65 K210 D214 Y218 | N63-H216 PolarHBondContact ND2-NE2 3.4Å; Y65-H216 AromaticContact CE1-CD2 3.71Å; Y65-H216 AromaticContact CE1-CE1 3.98Å; Y65-H216 AromaticContact CE1-NE2 3.48Å; Y65-H216 WeakPolarHBondContact CE1-NE2 3.5Å; K210-H216 WeakPolarHBondContact CD-O 3.02Å; K210-H216 WeakPolarHBondContact CE-O 3.39Å; K210-H216 PolarHBondContact NZ-O 2.81Å; K210-H216 VanDerWaalsContact NZ-O 3.08Å; D214-H216 IonicContact OD1-CE1 3.71Å; D214-H216 IonicContact OD1-CG 3.83Å; D214-H216 PolarHBondContact OD1-N 2.83Å; D214-H216 IonicContact OD1-ND1 2.73Å; D214-H216 PolarHBondContact OD1-ND1 3.27Å; H216-Y218 HydrophobicContact CB-CD2 4.36Å; H216-Y218 HydrophobicContact CB-CE2 3.75Å |
| 217 | I | 95.4 | Very high | 77.3 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 130.1 | 160.7 | -63.6 | -66.4 | 0 | 0 | 0 | 107.6 | L55 A142 L143 V197 F208 K210 | L55-I217 HydrophobicContact CD2-CD1 4.25Å; L55-I217 HydrophobicContact CD2-CG1 3.86Å; A142-I217 CarbonylContact C-O 3.54Å; A142-I217 WeakPolarHBondContact CA-O 3.43Å; L143-I217 HydrophobicContact CB-CB 3.99Å; L143-I217 HydrophobicContact CB-CG2 3.99Å; L143-I217 HydrophobicContact CD2-CB 4.15Å; L143-I217 HydrophobicContact CD2-CG2 3.88Å; L143-I217 PolarHBondContact N-O 2.87Å; V197-I217 HydrophobicContact CG2-CD1 4.2Å; F208-I217 HydrophobicContact CB-CG2 3.73Å; F208-I217 HydrophobicContact CD1-CG2 3.86Å; F208-I217 HydrophobicContact CD2-CG2 4.09Å; F208-I217 HydrophobicContact CE1-CG2 4.42Å; F208-I217 HydrophobicContact CG-CG2 3.65Å; K210-I217 HydrophobicContact CD-CD1 3.68Å |
| 218 | Y | 94 | Very high | 74.3 | Confident | 44 Ų | 44 | 72 Ų | 72 | 17% | 0.173 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 149.9 | 174.7 | -65.7 | -90.2 | 0 | 0 | 0 | 110.7 | P141 F208 I209 F211 D214 H216 Y220 | P141-Y218 HydrophobicContact CG-CD1 4.26Å; P141-Y218 CarbonylContact O-C 3.59Å; P141-Y218 VanDerWaalsContact O-CA 3.29Å; P141-Y218 WeakPolarHBondContact O-CA 3.24Å; F208-Y218 CarbonylContact C-O 3.54Å; F208-Y218 VanDerWaalsContact CA-O 3.31Å; F208-Y218 WeakPolarHBondContact CA-O 3.5Å; I209-Y218 PolarHBondContact N-O 3.46Å; I209-Y218 PolarHBondContact O-N 2.87Å; F211-Y218 AromaticContact CD2-CD2 3.36Å; F211-Y218 HydrophobicContact CD2-CD2 3.36Å; F211-Y218 AromaticContact CD2-CE2 3.41Å; F211-Y218 HydrophobicContact CD2-CE2 3.41Å; F211-Y218 VanDerWaalsContact CD2-CE2 3.41Å; F211-Y218 HydrophobicContact CD2-CG 4.19Å; F211-Y218 HydrophobicContact CE2-CD1 4.45Å; F211-Y218 AromaticContact CE2-CD2 3.45Å; F211-Y218 HydrophobicContact CE2-CD2 3.45Å; F211-Y218 VanDerWaalsContact CE2-CD2 3.45Å; F211-Y218 AromaticContact CE2-CE2 3.79Å; F211-Y218 HydrophobicContact CE2-CE2 3.79Å; F211-Y218 AromaticContact CE2-CG 3.81Å; F211-Y218 HydrophobicContact CE2-CG 3.81Å; D214-Y218 PolarHBondContact OD2-OH 2.84Å; D214-Y218 VanDerWaalsContact OD2-OH 3.14Å; H216-Y218 HydrophobicContact CB-CD2 4.36Å; H216-Y218 HydrophobicContact CB-CE2 3.75Å; Y218-Y220 HydrophobicContact CG-CE2 4.31Å |
| 219 | V | 92.5 | Very high | 71.3 | Confident | 10 Ų | 10 | 77.4 Ų | 77.4 | 6% | 0.061 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 120.9 | -179.5 | -170.4 | 0 | 0 | 0 | 0 | 108.4 | L123 T136 P141 L143 V206 Y207 F208 | L123-V219 HydrophobicContact CD1-CB 4.37Å; L123-V219 HydrophobicContact CD1-CG1 3.83Å; L123-V219 HydrophobicContact CD1-CG2 3.8Å; L123-V219 HydrophobicContact CD2-CG1 4.04Å; T136-V219 HydrophobicContact CG2-CB 3.84Å; T136-V219 HydrophobicContact CG2-CG1 3.86Å; T136-V219 HydrophobicContact CG2-CG2 4.35Å; P141-V219 PolarHBondContact O-N 2.76Å; L143-V219 HydrophobicContact CB-CG2 4.08Å; L143-V219 HydrophobicContact CD1-CG2 3.97Å; V206-V219 HydrophobicContact CG1-CG1 3.57Å; Y207-V219 WeakPolarHBondContact O-CA 3.49Å; F208-V219 HydrophobicContact CD1-CG2 3.94Å; F208-V219 HydrophobicContact CE1-CG2 3.87Å |
| 220 | Y | 86.5 | Confident | 68.3 | Low | 93 Ų | 93 | 86 Ų | 86 | 37% | 0.365 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 141 | 179.8 | -78.3 | -90.1 | 0 | 0 | 0 | 110.5 | Y207 I209 Y218 | Y207-Y220 PolarHBondContact N-O 2.72Å; Y207-Y220 PolarHBondContact O-N 2.75Å; I209-Y220 HydrophobicContact CB-CD2 4.18Å; I209-Y220 HydrophobicContact CD1-CD2 3.61Å; I209-Y220 HydrophobicContact CD1-CE2 4.45Å; I209-Y220 HydrophobicContact CD1-CG 3.88Å; I209-Y220 HydrophobicContact CG1-CD2 4.06Å; Y218-Y220 HydrophobicContact CG-CE2 4.31Å |
| 221 | T | 80.7 | Confident | 65.3 | Low | 98 Ų | 98 | 94.7 Ų | 94.7 | 60% | 0.601 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 119.8 | 163.4 | -47.7 | 0 | 0 | 0 | 0 | 107.8 | S205 | S205-T221 CarbonylContact O-C 3.05Å; S205-T221 WeakPolarHBondContact O-CA 3.38Å; S205-T221 WeakPolarHBondContact O-CG2 3.41Å |
| 222 | M | 69 | Low | 62.6 | Low | 49 Ų | 49 | 103.1 Ų | 103.1 | 24% | 0.241 | 55% | 0.547 | C | S | . | . | P | Polyproline II helix | trans | -101.9 | 120.4 | 171.6 | -64.7 | -163.4 | 57.8 | 0 | 0 | 108.7 | L177 S205 Y207 | L177-M222 HydrophobicContact CD1-CE 3.95Å; L177-M222 HydrophobicContact CD1-SD 4.4Å; S205-M222 PolarHBondContact O-N 2.87Å; Y207-M222 HydrophobicContact CD2-CB 3.86Å; Y207-M222 HydrophobicContact CD2-CG 3.86Å; Y207-M222 HydrophobicContact CE2-CB 3.67Å; Y207-M222 HydrophobicContact CE2-CG 4.16Å |
| 223 | V | 56.4 | Low | 61.3 | Low | 123 Ų | 123 | 102.2 Ų | 102.2 | 75% | 0.745 | 55% | 0.546 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 127.8 | 166.6 | -166.4 | 0 | 0 | 0 | 0 | 106.2 | K225 | V223-K225 PolarHBondContact O-N 3.12Š|
| 224 | P | 47.6 | Very low | 60 | Low | 97 Ų | 97 | 104.9 Ų | 104.9 | 63% | 0.63 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 127.1 | 171.1 | -21.5 | 31 | 0 | 0 | 0 | 108.4 | I226 | P224-I226 PolarHBondContact O-N 3.22Š|
| 225 | K | 35.4 | Very low | 58.2 | Low | 197 Ų | 197 | 108.9 Ų | 108.9 | 86% | 0.857 | 57% | 0.568 | S | S | * | * | trans | -64.7 | 109 | 162.5 | -83 | -175.1 | 175.4 | -176.6 | 0 | 105.1 | V223 L227 | V223-K225 PolarHBondContact O-N 3.12Å; K225-L227 VanDerWaalsContact C-N 3.31Å; K225-L227 PolarHBondContact O-N 3.23Å | ||
| 226 | I | 30.7 | Very low | 56.1 | Low | 151 Ų | 151 | 113.2 Ų | 113.2 | 77% | 0.774 | 59% | 0.59 | S | S | * | * | trans | -55.6 | 108.5 | 160.2 | -61.7 | 172.6 | 0 | 0 | 0 | 103.9 | P224 E228 | P224-I226 PolarHBondContact O-N 3.22Å; I226-E228 PolarHBondContact O-N 3.42Å | ||
| 227 | L | 27.3 | Very low | 53.6 | Low | 149 Ų | 149 | 117.4 Ų | 117.4 | 78% | 0.78 | 61% | 0.614 | S | S | * | * | trans | -60.5 | 102 | 160.7 | -77.3 | 163.8 | 0 | 0 | 0 | 103.6 | K225 V229 | K225-L227 VanDerWaalsContact C-N 3.31Å; K225-L227 PolarHBondContact O-N 3.23Å; L227-V229 HydrophobicContact CB-CG2 4.49Å; L227-V229 PolarHBondContact O-N 3.27Å | ||
| 228 | E | 25.6 | Very low | 50.8 | Low | 181 Ų | 181 | 125.2 Ų | 125.2 | 85% | 0.846 | 66% | 0.655 | S | S | * | * | trans | -57.5 | 88.7 | 156.9 | -77.5 | -177 | 160.3 | 0 | 0 | 105.4 | I226 E230 | I226-E228 PolarHBondContact O-N 3.42Å; E228-E230 VanDerWaalsContact C-N 3.26Å; E228-E230 PolarHBondContact O-N 3.43Å | ||
| 229 | V | 28.3 | Very low | 47.7 | Very low | 116 Ų | 116 | 131 Ų | 131 | 70% | 0.703 | 69% | 0.689 | S | S | * | * | trans | -66.7 | 101.2 | 158.5 | 177.1 | 0 | 0 | 0 | 0 | 103.4 | L227 K231 | L227-V229 HydrophobicContact CB-CG2 4.49Å; L227-V229 PolarHBondContact O-N 3.27Å; V229-K231 VanDerWaalsContact C-N 3.34Å; V229-K231 PolarHBondContact O-N 3.34Å | ||
| 230 | E | 26.4 | Very low | 44.3 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 86% | 0.855 | 74% | 0.737 | S | S | * | * | trans | -43 | 105.5 | 159.2 | -81.3 | -178.6 | 142.8 | 0 | 0 | 107.3 | E228 S232 | E228-E230 VanDerWaalsContact C-N 3.26Å; E228-E230 PolarHBondContact O-N 3.43Å; E230-S232 PolarHBondContact O-N 3.44Å | ||
| 231 | K | 28.1 | Very low | 40.8 | Very low | 196 Ų | 196 | 144.3 Ų | 144.3 | 85% | 0.852 | 77% | 0.768 | S | S | * | * | trans | -78.6 | 101.4 | 159.8 | -84.6 | -173.1 | 176.4 | 179.1 | 0 | 106 | V229 | V229-K231 VanDerWaalsContact C-N 3.34Å; V229-K231 PolarHBondContact O-N 3.34Å | ||
| 232 | S | 33.8 | Very low | 37.1 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 100% | 1.336 | 78% | 0.784 | S | S | * | * | trans | 37.8 | 0 | 142.2 | -56.3 | 0 | 0 | 0 | 0 | 118.7 | E230 | E230-S232 PolarHBondContact O-N 3.44Š|
Retrieved 232 of 232 residues in 182.3 ms
(Link to these results)