| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.3 | Very low | 41.1 | Very low | 246 Ų | 246 | 138.6 Ų | 138.6 | 100% | 1.212 | 83% | 0.83 | S | S | * | * | 0 | 127.1 | 0 | -66.6 | 133.8 | 76.4 | 0 | 0 | 107.5 | |||||
| 2 | G | 41.1 | Very low | 42.7 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -92.5 | 119.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3 | S | 40.9 | Very low | 44.3 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | trans | -88.9 | 112.9 | 167 | -168.2 | 0 | 0 | 0 | 0 | 108.2 | C5 | S3-C5 PolarHBondContact O-N 3.44Š| ||
| 4 | C | 35.6 | Very low | 46.1 | Very low | 114 Ų | 114 | 125.4 Ų | 125.4 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -79.5 | 105.3 | 175.3 | 48.6 | 0 | 0 | 0 | 0 | 109.5 | S6 | C4-S6 PolarHBondContact O-N 3.03Š| ||
| 5 | C | 37.9 | Very low | 47.4 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | trans | -66.4 | 96.8 | 167.3 | -68.1 | 0 | 0 | 0 | 0 | 109.3 | S3 C7 | S3-C5 PolarHBondContact O-N 3.44Å; C5-C7 PolarHBondContact O-N 3.27Å | ||
| 6 | S | 38.7 | Very low | 49.1 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | trans | -51.5 | 128.1 | 169.4 | -54.4 | 0 | 0 | 0 | 0 | 109.8 | C4 L8 | C4-S6 PolarHBondContact O-N 3.03Å; S6-L8 PolarHBondContact O-N 3.04Å | ||
| 7 | C | 35.8 | Very low | 51.2 | Low | 102 Ų | 102 | 119.5 Ų | 119.5 | 69% | 0.689 | 71% | 0.711 | S | S | * | * | trans | -59 | 125.3 | 174.1 | 50.3 | 0 | 0 | 0 | 0 | 110.3 | C5 C9 | C5-C7 PolarHBondContact O-N 3.27Å; C7-C9 HydrophobicContact CB-CB 4.46Å; C7-C9 PolarHBondContact O-N 3.4Å | ||
| 8 | L | 42.1 | Very low | 53.1 | Low | 178 Ų | 178 | 117.9 Ų | 117.9 | 93% | 0.932 | 70% | 0.704 | S | S | * | * | trans | -73.6 | 42.2 | 174.4 | -69.5 | 171.9 | 0 | 0 | 0 | 112.1 | S6 R10 | S6-L8 PolarHBondContact O-N 3.04Å; L8-R10 VanDerWaalsContact C-N 3.33Å; L8-R10 PolarHBondContact O-N 2.76Å; L8-R10 VanDerWaalsContact O-N 3.14Å | ||
| 9 | C | 47.7 | Very low | 55.1 | Low | 105 Ų | 105 | 114.2 Ų | 114.2 | 71% | 0.709 | 68% | 0.683 | S | S | * | * | trans | -88.6 | 67.8 | -180 | -66 | 0 | 0 | 0 | 0 | 110.8 | C7 | C7-C9 HydrophobicContact CB-CB 4.46Å; C7-C9 PolarHBondContact O-N 3.4Å | ||
| 10 | R | 44.9 | Very low | 57 | Low | 191 Ų | 191 | 111 Ų | 111 | 72% | 0.721 | 66% | 0.659 | S | S | * | * | trans | -172 | 96.3 | 156.8 | -111.1 | 166.2 | -177.1 | -168.5 | -1 | 112 | L8 S12 | L8-R10 VanDerWaalsContact C-N 3.33Å; L8-R10 PolarHBondContact O-N 2.76Å; L8-R10 VanDerWaalsContact O-N 3.14Å; R10-S12 PolarHBondContact O-N 3.15Å; R10-S12 PolarHBondContact O-OG 3.2Å | ||
| 11 | D | 45.1 | Very low | 58.7 | Low | 163 Ų | 163 | 105.8 Ų | 105.8 | 87% | 0.872 | 63% | 0.628 | S | S | * | * | trans | -60.3 | 87.3 | 154.4 | -74.8 | -71.4 | 0 | 0 | 0 | 108.8 | V13 | D11-V13 PolarHBondContact O-N 3.44Š| ||
| 12 | S | 60.1 | Low | 61.2 | Low | 96 Ų | 96 | 100.3 Ų | 100.3 | 67% | 0.671 | 60% | 0.598 | S | S | * | * | trans | -79.9 | 80.6 | -178.7 | -57.9 | 0 | 0 | 0 | 0 | 107.4 | R10 P14 | R10-S12 PolarHBondContact O-N 3.15Å; R10-S12 PolarHBondContact O-OG 3.2Å; S12-P14 VanDerWaalsContact O-N 3.09Å | ||
| 13 | V | 63.8 | Low | 63.7 | Low | 56 Ų | 56 | 96.5 Ų | 96.5 | 34% | 0.339 | 56% | 0.558 | S | S | . | * | trans | -45.5 | 119.7 | 174.2 | 177.8 | 0 | 0 | 0 | 0 | 107.5 | D11 D15 H17 K20 | D11-V13 PolarHBondContact O-N 3.44Å; V13-D15 PolarHBondContact O-N 3.3Å; V13-H17 HydrophobicContact CG1-CB 3.86Å; V13-K20 HydrophobicContact CG1-CB 3.8Å; V13-K20 HydrophobicContact CG1-CD 3.92Å; V13-K20 HydrophobicContact CG2-CD 4.35Å | ||
| 14 | P | 69 | Low | 66.3 | Low | 79 Ų | 79 | 92.2 Ų | 92.2 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | trans | -61.7 | 138.9 | -174.8 | 23.8 | -32.4 | 0 | 0 | 0 | 109.1 | S12 N16 H17 | S12-P14 VanDerWaalsContact O-N 3.09Å; P14-N16 PolarHBondContact O-N 3.03Å; P14-H17 HydrophobicContact CG-CB 4.21Å; P14-H17 WeakPolarHBondContact O-CB 3.28Å; P14-H17 PolarHBondContact O-N 3.28Å | ||
| 15 | D | 65.6 | Low | 69.1 | Low | 92 Ų | 92 | 88.6 Ų | 88.6 | 49% | 0.492 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.6 | -173.4 | -151 | 60 | 0 | 0 | 0 | 112.4 | V13 R93 | V13-D15 PolarHBondContact O-N 3.3Å; D15-R93 PolarHBondContact O-NH1 3.25Å |
| 16 | N | 74.8 | Confident | 71.8 | Confident | 131 Ų | 131 | 83.4 Ų | 83.4 | 70% | 0.701 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.2 | 32.8 | 174.7 | -72.2 | -91.8 | 0 | 0 | 0 | 113.6 | P14 | P14-N16 PolarHBondContact O-N 3.03Š|
| 17 | H | 85 | Confident | 74.3 | Confident | 52 Ų | 52 | 80.4 Ų | 80.4 | 24% | 0.241 | 44% | 0.44 | C | S | . | . | trans | -67.7 | 135.7 | 170.6 | -168.8 | -89.1 | 0 | 0 | 0 | 110 | V13 P14 T19 K20 R93 | V13-H17 HydrophobicContact CG1-CB 3.86Å; P14-H17 HydrophobicContact CG-CB 4.21Å; P14-H17 WeakPolarHBondContact O-CB 3.28Å; P14-H17 PolarHBondContact O-N 3.28Å; H17-T19 VanDerWaalsContact C-N 3.34Å; H17-T19 PolarHBondContact CE1-OG1 3.25Å; H17-T19 VanDerWaalsContact CE1-OG1 3.25Å; H17-T19 PolarHBondContact ND1-N 2.95Å; H17-T19 PolarHBondContact O-N 3.46Å; H17-K20 HydrophobicContact CB-CB 4Å; H17-K20 VanDerWaalsContact ND1-CB 3.34Å; H17-K20 WeakPolarHBondContact ND1-CB 3.31Å; H17-K20 WeakPolarHBondContact ND1-CG 3.27Å; H17-K20 PolarHBondContact ND1-N 2.99Å; H17-K20 VanDerWaalsContact ND1-N 3.15Å; H17-K20 VanDerWaalsContact O-O 3.1Å; H17-R93 PolarHBondContact O-NH1 2.83Å; H17-R93 PolarHBondContact O-NH2 3.09Å | ||
| 18 | P | 86.3 | Confident | 76.8 | Confident | 92 Ų | 92 | 82.4 Ų | 82.4 | 60% | 0.597 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -71.1 | -25.2 | -170.9 | 26.2 | -35.6 | 0 | 0 | 0 | 114.1 | F21 L100 | P18-F21 WeakPolarHBondContact O-CZ 3.43Å; P18-L100 WeakPolarHBondContact O-CD2 3.33Å |
| 19 | T | 90.2 | Very high | 79.1 | Confident | 47 Ų | 47 | 81.3 Ų | 81.3 | 29% | 0.288 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -122.5 | 6.5 | -179.2 | 66.5 | 0 | 0 | 0 | 0 | 114 | H17 E39 L40 L100 | H17-T19 VanDerWaalsContact C-N 3.34Å; H17-T19 PolarHBondContact CE1-OG1 3.25Å; H17-T19 VanDerWaalsContact CE1-OG1 3.25Å; H17-T19 PolarHBondContact ND1-N 2.95Å; H17-T19 PolarHBondContact O-N 3.46Å; T19-E39 WeakPolarHBondContact O-CA 3.39Å; T19-L40 WeakPolarHBondContact CB-O 3.34Å; T19-L40 PolarHBondContact O-N 3.15Å; T19-L100 HydrophobicContact CG2-CD2 4.14Å |
| 20 | K | 93.2 | Very high | 80.8 | Confident | 49 Ų | 49 | 78.4 Ų | 78.4 | 21% | 0.213 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 129.1 | -179.8 | -63.5 | 173.5 | -168.2 | -101.3 | 0 | 109 | V13 H17 I37 M38 E39 R93 | V13-K20 HydrophobicContact CG1-CB 3.8Å; V13-K20 HydrophobicContact CG1-CD 3.92Å; V13-K20 HydrophobicContact CG2-CD 4.35Å; H17-K20 HydrophobicContact CB-CB 4Å; H17-K20 VanDerWaalsContact ND1-CB 3.34Å; H17-K20 WeakPolarHBondContact ND1-CB 3.31Å; H17-K20 WeakPolarHBondContact ND1-CG 3.27Å; H17-K20 PolarHBondContact ND1-N 2.99Å; H17-K20 VanDerWaalsContact ND1-N 3.15Å; H17-K20 VanDerWaalsContact O-O 3.1Å; K20-I37 HydrophobicContact CB-CG2 3.86Å; K20-I37 HydrophobicContact CG-CG2 4.44Å; K20-M38 CarbonylContact C-O 3.59Å; K20-M38 VanDerWaalsContact CA-O 3.3Å; K20-M38 WeakPolarHBondContact CA-O 3.39Å; K20-E39 WeakPolarHBondContact CE-OE1 3.14Å; K20-E39 HydrophobicContact CG-CB 4.07Å; K20-E39 HydrophobicContact CG-CG 3.96Å; K20-E39 IonicContact NZ-OE1 3.62Å; K20-E39 PolarHBondContact NZ-OE1 3.46Å; K20-E39 IonicContact NZ-OE2 3.36Å; K20-E39 PolarHBondContact NZ-OE2 2.86Å; K20-R93 PolarHBondContact O-NH1 3.47Å |
| 21 | F | 93.7 | Very high | 82.9 | Confident | 2 Ų | 2 | 73.7 Ų | 73.7 | 1% | 0.009 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134.5 | -168.6 | -55.7 | -94.5 | 0 | 0 | 0 | 109.2 | P18 V23 I37 M38 L40 R93 E96 I97 L100 | P18-F21 WeakPolarHBondContact O-CZ 3.43Å; F21-V23 PolarHBondContact O-N 3.43Å; F21-I37 CarbonylContact O-C 3.59Å; F21-I37 WeakPolarHBondContact O-CA 3.46Å; F21-M38 PolarHBondContact N-O 2.85Å; F21-M38 PolarHBondContact O-N 2.86Å; F21-L40 HydrophobicContact CD2-CD1 4.06Å; F21-L40 HydrophobicContact CE2-CD1 4.06Å; F21-R93 HydrophobicContact CD1-CB 3.81Å; F21-R93 VanDerWaalsContact CD1-CZ 3.49Å; F21-R93 HydrophobicContact CE1-CB 4.29Å; F21-R93 VanDerWaalsContact CE1-CZ 3.45Å; F21-E96 HydrophobicContact CE1-CB 3.66Å; F21-E96 HydrophobicContact CZ-CB 4.24Å; F21-I97 HydrophobicContact CB-CD1 3.74Å; F21-I97 HydrophobicContact CB-CG1 3.92Å; F21-I97 HydrophobicContact CD1-CD1 4.29Å; F21-I97 HydrophobicContact CD1-CG1 3.66Å; F21-I97 HydrophobicContact CD2-CD1 4.34Å; F21-I97 HydrophobicContact CD2-CG1 3.64Å; F21-I97 HydrophobicContact CE1-CG1 4.02Å; F21-I97 HydrophobicContact CE2-CG1 4.01Å; F21-I97 HydrophobicContact CG-CD1 3.88Å; F21-I97 HydrophobicContact CG-CG1 3.45Å; F21-I97 VanDerWaalsContact CG-CG1 3.45Å; F21-I97 HydrophobicContact CZ-CG1 4.19Å; F21-L100 HydrophobicContact CE2-CD2 4.03Å; F21-L100 HydrophobicContact CZ-CD2 4.14Å |
| 22 | K | 93.8 | Very high | 85.2 | Confident | 132 Ų | 132 | 71.3 Ų | 71.3 | 57% | 0.574 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78 | 122.8 | 176.6 | -176.5 | -178.1 | 172.1 | -168.2 | 0 | 109.3 | I37 C91 | K22-I37 HydrophobicContact CB-CD1 4.19Å; K22-I37 HydrophobicContact CG-CD1 4.41Å; K22-C91 PolarHBondContact O-SG 3.38Å |
| 23 | V | 94.5 | Very high | 86.5 | Confident | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.012 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151.7 | -174.8 | -59.1 | 0 | 0 | 0 | 0 | 111.7 | F21 S35 G36 M38 L47 F89 K90 C91 I97 | F21-V23 PolarHBondContact O-N 3.43Å; V23-S35 CarbonylContact O-C 3.55Å; V23-S35 WeakPolarHBondContact O-CA 3.4Å; V23-G36 PolarHBondContact N-O 3.04Å; V23-G36 PolarHBondContact O-N 3.17Å; V23-G36 VanDerWaalsContact O-O 3.12Å; V23-M38 HydrophobicContact CG1-CB 3.66Å; V23-M38 HydrophobicContact CG2-CB 3.98Å; V23-L47 HydrophobicContact CG2-CD1 3.55Å; V23-F89 HydrophobicContact CB-CB 4.18Å; V23-F89 HydrophobicContact CB-CD1 4.12Å; V23-F89 HydrophobicContact CG1-CB 4.42Å; V23-F89 HydrophobicContact CG2-CD1 3.84Å; V23-F89 HydrophobicContact CG2-CE1 4.41Å; V23-K90 WeakPolarHBondContact CA-O 3.2Å; V23-C91 HydrophobicContact CG1-CB 4.01Å; V23-I97 HydrophobicContact CG1-CD1 4.22Å |
| 24 | T | 94.9 | Very high | 87.7 | Confident | 25 Ų | 25 | 71.1 Ų | 71.1 | 15% | 0.153 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.3 | 167.1 | -61.3 | 0 | 0 | 0 | 0 | 109.5 | E32 F89 K90 | T24-E32 HydrophobicContact CG2-CB 3.59Å; T24-E32 HydrophobicContact CG2-CG 3.63Å; T24-F89 CarbonylContact O-C 3.5Å; T24-F89 WeakPolarHBondContact O-CA 3.22Å; T24-K90 PolarHBondContact N-O 3.18Å; T24-K90 PolarHBondContact O-N 3.05Å |
| 25 | N | 93.9 | Very high | 88.8 | Confident | 38 Ų | 38 | 71 Ų | 71 | 20% | 0.203 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 134.7 | 174.3 | -174.5 | -59.8 | 0 | 0 | 0 | 109.3 | L33 G34 F89 | N25-L33 PolarHBondContact O-N 3.41Å; N25-L33 WeakPolarHBondContact OD1-CD1 3.5Å; N25-G34 PolarHBondContact N-O 2.89Å; N25-F89 HydrophobicContact CB-CD1 4.12Å; N25-F89 HydrophobicContact CB-CE1 3.83Å |
| 26 | V | 94.1 | Very high | 90.1 | Very high | 17 Ų | 17 | 67.1 Ų | 67.1 | 10% | 0.103 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 150.6 | 178.6 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | N31 E32 L71 A88 K90 | V26-N31 WeakPolarHBondContact CA-O 3.49Å; V26-E32 HydrophobicContact CG1-CG 4.33Å; V26-L71 HydrophobicContact CG2-CD1 3.98Å; V26-A88 HydrophobicContact CG2-CB 3.7Å; V26-A88 PolarHBondContact N-O 3.36Å; V26-A88 VanDerWaalsContact N-O 3.13Å; V26-K90 HydrophobicContact CG1-CB 4.19Å |
| 27 | D | 91.6 | Very high | 91 | Very high | 39 Ų | 39 | 63.1 Ų | 63.1 | 21% | 0.209 | 35% | 0.353 | C | S | . | . | trans | -81.9 | 180 | 172.3 | 57.6 | 31.2 | 0 | 0 | 0 | 112.9 | E29 G30 N31 L33 | D27-E29 PolarHBondContact O-N 3.33Å; D27-E29 WeakPolarHBondContact OD1-CA 3.3Å; D27-E29 PolarHBondContact OD1-N 3.46Å; D27-E29 VanDerWaalsContact OD1-N 3.16Å; D27-G30 PolarHBondContact O-N 3.16Å; D27-G30 PolarHBondContact OD1-N 2.84Å; D27-N31 PolarHBondContact N-O 3.46Å; D27-N31 PolarHBondContact OD1-N 2.9Å; D27-N31 PolarHBondContact OD1-ND2 2.88Å; D27-N31 VanDerWaalsContact OD1-ND2 3.08Å; D27-N31 WeakPolarHBondContact OD2-CB 3.29Å; D27-N31 PolarHBondContact OD2-ND2 2.95Å; D27-L33 HydrophobicContact CB-CD1 4.03Å; D27-L33 HydrophobicContact CB-CD2 4.23Å; D27-L33 HydrophobicContact CB-CG 4.16Å | ||
| 28 | D | 89.8 | Confident | 91.5 | Very high | 144 Ų | 144 | 60.7 Ų | 60.7 | 77% | 0.77 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -20 | 179.4 | -68.3 | -67.7 | 0 | 0 | 0 | 113.5 | ||
| 29 | E | 88.9 | Confident | 92 | Very high | 155 Ų | 155 | 57.9 Ų | 57.9 | 72% | 0.724 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -13.8 | 172.9 | -64.6 | 83.2 | -129.5 | 0 | 0 | 113.2 | D27 | D27-E29 PolarHBondContact O-N 3.33Å; D27-E29 WeakPolarHBondContact OD1-CA 3.3Å; D27-E29 PolarHBondContact OD1-N 3.46Å; D27-E29 VanDerWaalsContact OD1-N 3.16Å |
| 30 | G | 83.6 | Confident | 92.2 | Very high | 44 Ų | 44 | 55.9 Ų | 55.9 | 45% | 0.454 | 31% | 0.308 | S | S | . | . | trans | 93.4 | 9.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | D27 | D27-G30 PolarHBondContact O-N 3.16Å; D27-G30 PolarHBondContact OD1-N 2.84Å | ||
| 31 | N | 89.9 | Confident | 92.2 | Very high | 92 Ų | 92 | 55.2 Ų | 55.2 | 49% | 0.492 | 31% | 0.308 | S | S | . | . | trans | -74.4 | 147.1 | 178.2 | -43.8 | -76.9 | 0 | 0 | 0 | 111.6 | V26 D27 L33 | V26-N31 WeakPolarHBondContact CA-O 3.49Å; D27-N31 PolarHBondContact N-O 3.46Å; D27-N31 PolarHBondContact OD1-N 2.9Å; D27-N31 PolarHBondContact OD1-ND2 2.88Å; D27-N31 VanDerWaalsContact OD1-ND2 3.08Å; D27-N31 WeakPolarHBondContact OD2-CB 3.29Å; D27-N31 PolarHBondContact OD2-ND2 2.95Å; N31-L33 PolarHBondContact O-N 2.83Å; N31-L33 VanDerWaalsContact O-N 3.13Å | ||
| 32 | E | 92.3 | Very high | 92 | Very high | 113 Ų | 113 | 60.1 Ų | 60.1 | 53% | 0.528 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 95.4 | -175.7 | -67 | -170.1 | -171.6 | 0 | 0 | 112.5 | T24 V26 G34 K90 | T24-E32 HydrophobicContact CG2-CB 3.59Å; T24-E32 HydrophobicContact CG2-CG 3.63Å; V26-E32 HydrophobicContact CG1-CG 4.33Å; E32-G34 VanDerWaalsContact C-N 3.34Å; E32-G34 PolarHBondContact O-N 2.86Å; E32-K90 WeakPolarHBondContact OE1-CD 3.12Å; E32-K90 WeakPolarHBondContact OE1-CE 3.4Å; E32-K90 IonicContact OE1-NZ 2.7Å; E32-K90 PolarHBondContact OE1-NZ 2.93Å |
| 33 | L | 87.8 | Confident | 91.8 | Very high | 113 Ų | 113 | 58.3 Ų | 58.3 | 59% | 0.592 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.5 | -27.1 | -180 | -63.5 | -174.7 | 0 | 0 | 0 | 113.7 | N25 D27 N31 | N25-L33 PolarHBondContact O-N 3.41Å; N25-L33 WeakPolarHBondContact OD1-CD1 3.5Å; D27-L33 HydrophobicContact CB-CD1 4.03Å; D27-L33 HydrophobicContact CB-CD2 4.23Å; D27-L33 HydrophobicContact CB-CG 4.16Å; N31-L33 PolarHBondContact O-N 2.83Å; N31-L33 VanDerWaalsContact O-N 3.13Å |
| 34 | G | 89.5 | Confident | 91.8 | Very high | 36 Ų | 36 | 60.1 Ų | 60.1 | 37% | 0.371 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.9 | 152.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N25 E32 | N25-G34 PolarHBondContact N-O 2.89Å; E32-G34 VanDerWaalsContact C-N 3.34Å; E32-G34 PolarHBondContact O-N 2.86Å |
| 35 | S | 92.2 | Very high | 91.8 | Very high | 76 Ų | 76 | 58.9 Ų | 58.9 | 53% | 0.531 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 153.1 | -179 | 52.6 | 0 | 0 | 0 | 0 | 113.9 | V23 | V23-S35 CarbonylContact O-C 3.55Å; V23-S35 WeakPolarHBondContact O-CA 3.4Å |
| 36 | G | 92.6 | Very high | 91.8 | Very high | 11 Ų | 11 | 57.5 Ų | 57.5 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | -173.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V23 H48 | V23-G36 PolarHBondContact N-O 3.04Å; V23-G36 PolarHBondContact O-N 3.17Å; V23-G36 VanDerWaalsContact O-O 3.12Å; G36-H48 CarbonylContact C-O 3.55Å; G36-H48 WeakPolarHBondContact CA-O 3.5Å |
| 37 | I | 94.1 | Very high | 91.9 | Very high | 47 Ų | 47 | 57.2 Ų | 57.2 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 120.6 | 172.6 | -55.1 | -60.4 | 0 | 0 | 0 | 108.1 | K20 F21 K22 H48 | K20-I37 HydrophobicContact CB-CG2 3.86Å; K20-I37 HydrophobicContact CG-CG2 4.44Å; F21-I37 CarbonylContact O-C 3.59Å; F21-I37 WeakPolarHBondContact O-CA 3.46Å; K22-I37 HydrophobicContact CB-CD1 4.19Å; K22-I37 HydrophobicContact CG-CD1 4.41Å; I37-H48 HydrophobicContact CB-CB 4.4Å; I37-H48 PolarHBondContact N-O 2.96Å; I37-H48 PolarHBondContact O-N 3.46Å |
| 38 | M | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 129.5 | 168.3 | -167.5 | 67 | 79.8 | 0 | 0 | 108.9 | K20 F21 V23 L40 L45 I46 L47 W57 F74 F89 | K20-M38 CarbonylContact C-O 3.59Å; K20-M38 VanDerWaalsContact CA-O 3.3Å; K20-M38 WeakPolarHBondContact CA-O 3.39Å; F21-M38 PolarHBondContact N-O 2.85Å; F21-M38 PolarHBondContact O-N 2.86Å; V23-M38 HydrophobicContact CG1-CB 3.66Å; V23-M38 HydrophobicContact CG2-CB 3.98Å; M38-L40 HydrophobicContact CG-CD1 4.06Å; M38-L45 HydrophobicContact CE-CD2 4.41Å; M38-L45 HydrophobicContact CG-CD1 3.69Å; M38-L45 HydrophobicContact CG-CG 4.34Å; M38-L45 HydrophobicContact SD-CD1 3.63Å; M38-L45 HydrophobicContact SD-CD2 4.02Å; M38-L45 HydrophobicContact SD-CG 3.59Å; M38-L45 VanDerWaalsContact SD-CG 3.59Å; M38-I46 CarbonylContact C-O 3.54Å; M38-I46 WeakPolarHBondContact CA-O 3.37Å; M38-L47 HydrophobicContact CE-CB 4.38Å; M38-L47 HydrophobicContact CE-CD1 4.25Å; M38-L47 HydrophobicContact SD-CB 4.14Å; M38-W57 HydrophobicContact CE-CZ3 4.34Å; M38-W57 HydrophobicContact SD-CZ3 4.25Å; M38-F74 HydrophobicContact CE-CE1 4.2Å; M38-F89 HydrophobicContact CE-CD1 4.07Å; M38-F89 HydrophobicContact CE-CD2 3.61Å; M38-F89 HydrophobicContact CE-CE1 3.96Å; M38-F89 HydrophobicContact CE-CE2 3.48Å; M38-F89 VanDerWaalsContact CE-CE2 3.48Å; M38-F89 HydrophobicContact CE-CG 3.91Å; M38-F89 HydrophobicContact CE-CZ 3.67Å |
| 39 | E | 95.2 | Very high | 92 | Very high | 34 Ų | 34 | 53.7 Ų | 53.7 | 16% | 0.159 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.5 | 178.7 | 175.2 | 163.7 | -158 | 0 | 0 | 110.4 | T19 K20 T41 I46 H48 | T19-E39 WeakPolarHBondContact O-CA 3.39Å; K20-E39 WeakPolarHBondContact CE-OE1 3.14Å; K20-E39 HydrophobicContact CG-CB 4.07Å; K20-E39 HydrophobicContact CG-CG 3.96Å; K20-E39 IonicContact NZ-OE1 3.62Å; K20-E39 PolarHBondContact NZ-OE1 3.46Å; K20-E39 IonicContact NZ-OE2 3.36Å; K20-E39 PolarHBondContact NZ-OE2 2.86Å; E39-T41 HydrophobicContact CG-CG2 4.1Å; E39-I46 HydrophobicContact CB-CB 4.35Å; E39-I46 PolarHBondContact N-O 3.28Å; E39-I46 PolarHBondContact O-N 2.94Å; E39-H48 IonicContact OE2-CD2 3.63Å; E39-H48 IonicContact OE2-CE1 3.71Å; E39-H48 IonicContact OE2-NE2 2.75Å; E39-H48 PolarHBondContact OE2-NE2 2.7Å |
| 40 | L | 95.2 | Very high | 91.5 | Very high | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 109 | 176.9 | -79.9 | 73.1 | 0 | 0 | 0 | 107.8 | T19 F21 M38 L45 I97 L100 L101 L104 | T19-L40 WeakPolarHBondContact CB-O 3.34Å; T19-L40 PolarHBondContact O-N 3.15Å; F21-L40 HydrophobicContact CD2-CD1 4.06Å; F21-L40 HydrophobicContact CE2-CD1 4.06Å; M38-L40 HydrophobicContact CG-CD1 4.06Å; L40-L45 HydrophobicContact CD1-CD1 3.44Å; L40-L45 VanDerWaalsContact CD1-CD1 3.44Å; L40-L45 HydrophobicContact CG-CD1 3.65Å; L40-I97 HydrophobicContact CD1-CG2 4.1Å; L40-I97 HydrophobicContact CD2-CG2 4.27Å; L40-L100 HydrophobicContact CB-CD2 3.87Å; L40-L100 HydrophobicContact CB-CG 4.35Å; L40-L100 HydrophobicContact CD2-CB 4.04Å; L40-L100 HydrophobicContact CD2-CD2 3.91Å; L40-L100 HydrophobicContact CD2-CG 3.82Å; L40-L100 HydrophobicContact CG-CD2 4.44Å; L40-L101 HydrophobicContact CD2-CB 4.07Å; L40-L104 HydrophobicContact CB-CD1 3.92Å; L40-L104 HydrophobicContact CD2-CD1 4.31Å |
| 41 | T | 93.4 | Very high | 91.1 | Very high | 35 Ų | 35 | 61.3 Ų | 61.3 | 22% | 0.215 | 32% | 0.323 | C | S | . | . | trans | -95.3 | 179.4 | 176 | 74.2 | 0 | 0 | 0 | 0 | 110.4 | E39 T43 E44 I46 Y59 L104 | E39-T41 HydrophobicContact CG-CG2 4.1Å; T41-T43 PolarHBondContact O-N 3.32Å; T41-T43 PolarHBondContact OG1-N 3.02Å; T41-E44 WeakPolarHBondContact CB-O 3.2Å; T41-E44 PolarHBondContact N-O 2.95Å; T41-E44 VanDerWaalsContact N-O 3.13Å; T41-E44 WeakPolarHBondContact OG1-CG 3.43Å; T41-E44 PolarHBondContact OG1-N 3.27Å; T41-E44 PolarHBondContact OG1-O 2.86Å; T41-I46 HydrophobicContact CG2-CD1 3.64Å; T41-I46 HydrophobicContact CG2-CG1 4.16Å; T41-Y59 PolarHBondContact N-OH 2.84Å; T41-Y59 WeakPolarHBondContact O-CE2 3.19Å; T41-Y59 PolarHBondContact O-OH 2.89Å; T41-L104 WeakPolarHBondContact O-CD1 3.34Å | ||
| 42 | Q | 89.6 | Confident | 90.6 | Very high | 105 Ų | 105 | 66.7 Ų | 66.7 | 49% | 0.491 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -65 | -19.6 | 174.4 | -168.7 | 57.1 | 57.3 | 0 | 0 | 113.3 | N108 | Q42-N108 PolarHBondContact NE2-OD1 3.23Å; Q42-N108 PolarHBondContact O-ND2 3.38Å; Q42-N108 PolarHBondContact O-OD1 2.77Å |
| 43 | T | 89.3 | Confident | 90.4 | Very high | 95 Ų | 95 | 68.2 Ų | 68.2 | 58% | 0.583 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -129.1 | -25.8 | -167.3 | 55.3 | 0 | 0 | 0 | 0 | 115.4 | T41 Y59 | T41-T43 PolarHBondContact O-N 3.32Å; T41-T43 PolarHBondContact OG1-N 3.02Å; T43-Y59 VanDerWaalsContact C-CE2 3.45Å; T43-Y59 VanDerWaalsContact O-CD2 3.22Å; T43-Y59 WeakPolarHBondContact O-CD2 3.46Å; T43-Y59 PolarHBondContact O-N 3.16Å |
| 44 | E | 93.9 | Very high | 90.6 | Very high | 39 Ų | 39 | 64.2 Ų | 64.2 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 149.7 | -176.6 | 58 | 175.9 | -164.2 | 0 | 0 | 112.7 | T41 I46 R56 Y59 | T41-E44 WeakPolarHBondContact CB-O 3.2Å; T41-E44 PolarHBondContact N-O 2.95Å; T41-E44 VanDerWaalsContact N-O 3.13Å; T41-E44 WeakPolarHBondContact OG1-CG 3.43Å; T41-E44 PolarHBondContact OG1-N 3.27Å; T41-E44 PolarHBondContact OG1-O 2.86Å; E44-I46 HydrophobicContact CG-CD1 4.02Å; E44-I46 HydrophobicContact CG-CG1 3.87Å; E44-I46 VanDerWaalsContact OE1-CD1 3.29Å; E44-I46 WeakPolarHBondContact OE1-CD1 3.31Å; E44-R56 VanDerWaalsContact OE1-CD 3.27Å; E44-R56 WeakPolarHBondContact OE1-CD 3.37Å; E44-R56 IonicContact OE1-CZ 3.82Å; E44-R56 IonicContact OE1-NE 2.77Å; E44-R56 PolarHBondContact OE1-NE 3.04Å; E44-R56 VanDerWaalsContact OE2-CD 3.31Å; E44-R56 WeakPolarHBondContact OE2-CD 3.49Å; E44-R56 IonicContact OE2-NE 3.73Å; E44-Y59 PolarHBondContact O-OH 3.45Å |
| 45 | L | 95.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 131 | 166.3 | -173.3 | 68.6 | 0 | 0 | 0 | 108.8 | M38 L40 W57 Y59 F72 F74 | M38-L45 HydrophobicContact CE-CD2 4.41Å; M38-L45 HydrophobicContact CG-CD1 3.69Å; M38-L45 HydrophobicContact CG-CG 4.34Å; M38-L45 HydrophobicContact SD-CD1 3.63Å; M38-L45 HydrophobicContact SD-CD2 4.02Å; M38-L45 HydrophobicContact SD-CG 3.59Å; M38-L45 VanDerWaalsContact SD-CG 3.59Å; L40-L45 HydrophobicContact CD1-CD1 3.44Å; L40-L45 VanDerWaalsContact CD1-CD1 3.44Å; L40-L45 HydrophobicContact CG-CD1 3.65Å; L45-W57 HydrophobicContact CB-CB 4.44Å; L45-W57 HydrophobicContact CB-CE3 4.36Å; L45-W57 HydrophobicContact CD2-CE3 4.14Å; L45-W57 HydrophobicContact CG-CE3 4.17Å; L45-W57 PolarHBondContact N-O 3.14Å; L45-W57 PolarHBondContact O-N 3.25Å; L45-Y59 HydrophobicContact CB-CE1 3.92Å; L45-F72 HydrophobicContact CD2-CE1 4.26Å; L45-F74 HydrophobicContact CD2-CD1 3.92Å; L45-F74 HydrophobicContact CD2-CE1 3.39Å; L45-F74 HydrophobicContact CD2-CE2 4.31Å; L45-F74 HydrophobicContact CD2-CZ 3.61Å |
| 46 | I | 95.1 | Very high | 90.9 | Very high | 9 Ų | 9 | 66.1 Ų | 66.1 | 5% | 0.046 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124.2 | -176.3 | -47 | -177.9 | 0 | 0 | 0 | 110.6 | M38 E39 T41 E44 A54 V55 R56 | M38-I46 CarbonylContact C-O 3.54Å; M38-I46 WeakPolarHBondContact CA-O 3.37Å; E39-I46 HydrophobicContact CB-CB 4.35Å; E39-I46 PolarHBondContact N-O 3.28Å; E39-I46 PolarHBondContact O-N 2.94Å; T41-I46 HydrophobicContact CG2-CD1 3.64Å; T41-I46 HydrophobicContact CG2-CG1 4.16Å; E44-I46 HydrophobicContact CG-CD1 4.02Å; E44-I46 HydrophobicContact CG-CG1 3.87Å; E44-I46 VanDerWaalsContact OE1-CD1 3.29Å; E44-I46 WeakPolarHBondContact OE1-CD1 3.31Å; I46-A54 HydrophobicContact CG2-CB 3.96Å; I46-V55 CarbonylContact C-O 3.59Å; I46-V55 VanDerWaalsContact CA-O 3.31Å; I46-V55 WeakPolarHBondContact CA-O 3.46Å; I46-R56 HydrophobicContact CG1-CG 4.29Å; I46-R56 HydrophobicContact CG2-CG 4.32Å |
| 47 | L | 95.1 | Very high | 91 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 110.4 | 169.2 | 176.7 | 72.5 | 0 | 0 | 0 | 110.4 | V23 M38 T49 A54 V55 W57 F89 | V23-L47 HydrophobicContact CG2-CD1 3.55Å; M38-L47 HydrophobicContact CE-CB 4.38Å; M38-L47 HydrophobicContact CE-CD1 4.25Å; M38-L47 HydrophobicContact SD-CB 4.14Å; L47-T49 HydrophobicContact CD2-CG2 3.78Å; L47-T49 HydrophobicContact CG-CG2 3.84Å; L47-A54 WeakPolarHBondContact O-CA 3.4Å; L47-V55 HydrophobicContact CB-CB 4.46Å; L47-V55 PolarHBondContact N-O 3.06Å; L47-V55 PolarHBondContact O-N 3.18Å; L47-W57 HydrophobicContact CB-CH2 3.72Å; L47-W57 HydrophobicContact CB-CZ3 3.56Å; L47-W57 HydrophobicContact CD2-CH2 4.15Å; L47-F89 HydrophobicContact CD1-CE1 3.97Å; L47-F89 HydrophobicContact CD2-CE1 3.67Å; L47-F89 HydrophobicContact CD2-CZ 3.87Å; L47-F89 HydrophobicContact CG-CE1 4.42Å |
| 48 | H | 93 | Very high | 91 | Very high | 69 Ų | 69 | 66 Ų | 66 | 32% | 0.319 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 115.9 | 168.9 | -56.7 | -81.9 | 0 | 0 | 0 | 109.7 | G36 I37 E39 | G36-H48 CarbonylContact C-O 3.55Å; G36-H48 WeakPolarHBondContact CA-O 3.5Å; I37-H48 HydrophobicContact CB-CB 4.4Å; I37-H48 PolarHBondContact N-O 2.96Å; I37-H48 PolarHBondContact O-N 3.46Å; E39-H48 IonicContact OE2-CD2 3.63Å; E39-H48 IonicContact OE2-CE1 3.71Å; E39-H48 IonicContact OE2-NE2 2.75Å; E39-H48 PolarHBondContact OE2-NE2 2.7Å |
| 49 | T | 90.8 | Very high | 90.8 | Very high | 39 Ų | 39 | 66.1 Ų | 66.1 | 24% | 0.239 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 151.3 | 176.2 | 83.2 | 0 | 0 | 0 | 0 | 111.2 | L47 K51 R52 | L47-T49 HydrophobicContact CD2-CG2 3.78Å; L47-T49 HydrophobicContact CG-CG2 3.84Å; T49-K51 PolarHBondContact O-N 3.24Å; T49-R52 WeakPolarHBondContact OG1-CB 3.14Å; T49-R52 PolarHBondContact OG1-N 2.78Å; T49-R52 PolarHBondContact OG1-O 3.02Å |
| 50 | H | 78.6 | Confident | 90.6 | Very high | 159 Ų | 159 | 70.4 Ų | 70.4 | 74% | 0.736 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -76.5 | -1.1 | -179.6 | -157.3 | -52.2 | 0 | 0 | 0 | 113.8 | ||
| 51 | K | 75.3 | Confident | 90.4 | Very high | 201 Ų | 201 | 71 Ų | 71 | 87% | 0.874 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -137.2 | -2.4 | -170.9 | -66.7 | -174 | 179.6 | 177.7 | 0 | 115.4 | T49 | T49-K51 PolarHBondContact O-N 3.24Š|
| 52 | R | 80.1 | Confident | 90.4 | Very high | 205 Ų | 205 | 69.6 Ų | 69.6 | 77% | 0.774 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -149.2 | 161.4 | -178.6 | -54.2 | 179.4 | -177.7 | 134.5 | -1.4 | 108.9 | T49 | T49-R52 WeakPolarHBondContact OG1-CB 3.14Å; T49-R52 PolarHBondContact OG1-N 2.78Å; T49-R52 PolarHBondContact OG1-O 3.02Å |
| 53 | D | 87.4 | Confident | 90.6 | Very high | 144 Ų | 144 | 68.3 Ų | 68.3 | 77% | 0.77 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 154.7 | 173.2 | -56.3 | -66.4 | 0 | 0 | 0 | 112.8 | V55 | D53-V55 PolarHBondContact O-N 3.2Š|
| 54 | A | 91.8 | Very high | 90.7 | Very high | 29 Ų | 29 | 66.5 Ų | 66.5 | 24% | 0.24 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 121.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | I46 L47 | I46-A54 HydrophobicContact CG2-CB 3.96Å; L47-A54 WeakPolarHBondContact O-CA 3.4Å |
| 55 | V | 93.3 | Very high | 90.8 | Very high | 31 Ų | 31 | 64.7 Ų | 64.7 | 19% | 0.188 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 133.7 | -177.4 | -176.8 | 0 | 0 | 0 | 0 | 109.5 | I46 L47 D53 W57 T82 | I46-V55 CarbonylContact C-O 3.59Å; I46-V55 VanDerWaalsContact CA-O 3.31Å; I46-V55 WeakPolarHBondContact CA-O 3.46Å; L47-V55 HydrophobicContact CB-CB 4.46Å; L47-V55 PolarHBondContact N-O 3.06Å; L47-V55 PolarHBondContact O-N 3.18Å; D53-V55 PolarHBondContact O-N 3.2Å; V55-W57 HydrophobicContact CB-CH2 4.05Å; V55-W57 HydrophobicContact CB-CZ2 4.25Å; V55-W57 HydrophobicContact CB-CZ3 4.43Å; V55-W57 HydrophobicContact CG1-CD2 4.3Å; V55-W57 HydrophobicContact CG1-CH2 3.73Å; V55-W57 HydrophobicContact CG1-CZ2 3.43Å; V55-W57 VanDerWaalsContact CG1-CZ2 3.43Å; V55-W57 HydrophobicContact CG1-CZ3 4.26Å; V55-T82 HydrophobicContact CG1-CG2 3.37Å |
| 56 | R | 94.3 | Very high | 90.7 | Very high | 121 Ų | 121 | 64.7 Ų | 64.7 | 46% | 0.457 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 134.9 | -176.3 | -70.3 | 174.4 | 159.5 | 103.4 | -0.2 | 112.7 | E44 I46 | E44-R56 VanDerWaalsContact OE1-CD 3.27Å; E44-R56 WeakPolarHBondContact OE1-CD 3.37Å; E44-R56 IonicContact OE1-CZ 3.82Å; E44-R56 IonicContact OE1-NE 2.77Å; E44-R56 PolarHBondContact OE1-NE 3.04Å; E44-R56 VanDerWaalsContact OE2-CD 3.31Å; E44-R56 WeakPolarHBondContact OE2-CD 3.49Å; E44-R56 IonicContact OE2-NE 3.73Å; I46-R56 HydrophobicContact CG1-CG 4.29Å; I46-R56 HydrophobicContact CG2-CG 4.32Å |
| 57 | W | 95.2 | Very high | 90.7 | Very high | 3 Ų | 3 | 67.1 Ų | 67.1 | 1% | 0.011 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 102.6 | 169.6 | -54.4 | -84.8 | 0 | 0 | 0 | 109.9 | M38 L45 L47 V55 L62 F74 T82 F87 F89 | M38-W57 HydrophobicContact CE-CZ3 4.34Å; M38-W57 HydrophobicContact SD-CZ3 4.25Å; L45-W57 HydrophobicContact CB-CB 4.44Å; L45-W57 HydrophobicContact CB-CE3 4.36Å; L45-W57 HydrophobicContact CD2-CE3 4.14Å; L45-W57 HydrophobicContact CG-CE3 4.17Å; L45-W57 PolarHBondContact N-O 3.14Å; L45-W57 PolarHBondContact O-N 3.25Å; L47-W57 HydrophobicContact CB-CH2 3.72Å; L47-W57 HydrophobicContact CB-CZ3 3.56Å; L47-W57 HydrophobicContact CD2-CH2 4.15Å; V55-W57 HydrophobicContact CB-CH2 4.05Å; V55-W57 HydrophobicContact CB-CZ2 4.25Å; V55-W57 HydrophobicContact CB-CZ3 4.43Å; V55-W57 HydrophobicContact CG1-CD2 4.3Å; V55-W57 HydrophobicContact CG1-CH2 3.73Å; V55-W57 HydrophobicContact CG1-CZ2 3.43Å; V55-W57 VanDerWaalsContact CG1-CZ2 3.43Å; V55-W57 HydrophobicContact CG1-CZ3 4.26Å; W57-L62 HydrophobicContact CB-CD2 3.95Å; W57-F74 AromaticContact CD2-CE2 3.78Å; W57-F74 HydrophobicContact CD2-CE2 3.78Å; W57-F74 AromaticContact CD2-CZ 3.71Å; W57-F74 HydrophobicContact CD2-CZ 3.71Å; W57-F74 AromaticContact CE2-CE2 3.86Å; W57-F74 AromaticContact CE2-CZ 3.85Å; W57-F74 HydrophobicContact CE3-CE2 4.25Å; W57-F74 AromaticContact CE3-CZ 3.72Å; W57-F74 HydrophobicContact CE3-CZ 3.72Å; W57-F74 AromaticContact CG-CE2 3.94Å; W57-F74 HydrophobicContact CG-CE2 3.94Å; W57-F74 HydrophobicContact CG-CZ 4.32Å; W57-F74 AromaticContact CH2-CZ 3.98Å; W57-F74 HydrophobicContact CH2-CZ 3.98Å; W57-F74 HydrophobicContact CZ2-CE2 4.35Å; W57-F74 AromaticContact CZ2-CZ 3.98Å; W57-F74 HydrophobicContact CZ2-CZ 3.98Å; W57-F74 AromaticContact CZ3-CZ 3.86Å; W57-F74 HydrophobicContact CZ3-CZ 3.86Å; W57-T82 HydrophobicContact CZ2-CG2 4.03Å; W57-T82 PolarHBondContact NE1-OG1 2.86Å; W57-F87 AromaticContact CE2-CE2 3.96Å; W57-F87 HydrophobicContact CZ2-CD2 4Å; W57-F87 AromaticContact CZ2-CE2 3.99Å; W57-F87 HydrophobicContact CZ2-CE2 3.99Å; W57-F87 HydrophobicContact CZ2-CG 4.37Å; W57-F87 HydrophobicContact CZ2-CZ 4.38Å; W57-F87 AromaticContact NE1-CE2 3.49Å; W57-F89 HydrophobicContact CH2-CZ 4.17Å |
| 58 | P | 93.7 | Very high | 90.5 | Very high | 53 Ų | 53 | 67.3 Ų | 67.3 | 34% | 0.344 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 138.4 | 170.2 | -23.8 | 34.6 | 0 | 0 | 0 | 110.6 | L60 C61 | P58-L60 PolarHBondContact O-N 2.87Å; P58-L60 VanDerWaalsContact O-N 3.15Å; P58-C61 PolarHBondContact O-N 2.95Å |
| 59 | Y | 92.5 | Very high | 90.2 | Very high | 3 Ų | 3 | 67.6 Ų | 67.6 | 1% | 0.012 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -58.9 | -33.8 | -173 | -64.2 | -48.6 | 0 | 0 | 0 | 113.5 | T41 T43 E44 L45 C61 L62 L101 L104 M105 N108 | T41-Y59 PolarHBondContact N-OH 2.84Å; T41-Y59 WeakPolarHBondContact O-CE2 3.19Å; T41-Y59 PolarHBondContact O-OH 2.89Å; T43-Y59 VanDerWaalsContact C-CE2 3.45Å; T43-Y59 VanDerWaalsContact O-CD2 3.22Å; T43-Y59 WeakPolarHBondContact O-CD2 3.46Å; T43-Y59 PolarHBondContact O-N 3.16Å; E44-Y59 PolarHBondContact O-OH 3.45Å; L45-Y59 HydrophobicContact CB-CE1 3.92Å; Y59-C61 PolarHBondContact O-N 3.06Å; Y59-L62 HydrophobicContact CD1-CD1 4.17Å; Y59-L62 PolarHBondContact O-N 2.97Å; Y59-L62 VanDerWaalsContact O-N 3.1Å; Y59-L101 HydrophobicContact CD1-CD1 3.6Å; Y59-L101 HydrophobicContact CE1-CD1 3.27Å; Y59-L104 HydrophobicContact CE2-CB 4.26Å; Y59-M105 HydrophobicContact CD1-CE 3.92Å; Y59-M105 HydrophobicContact CG-CE 4.14Å; Y59-N108 WeakPolarHBondContact CD2-ND2 3.43Å |
| 60 | L | 90.2 | Very high | 90.3 | Very high | 123 Ų | 123 | 70 Ų | 70 | 64% | 0.644 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -65 | -0.4 | 172.7 | -64.2 | 172.7 | 0 | 0 | 0 | 115.1 | P58 R79 I110 | P58-L60 PolarHBondContact O-N 2.87Å; P58-L60 VanDerWaalsContact O-N 3.15Å; L60-R79 PolarHBondContact O-NH2 2.98Å; L60-I110 HydrophobicContact CD2-CD1 3.81Å; L60-I110 HydrophobicContact CD2-CG1 3.78Å; L60-I110 HydrophobicContact CG-CD1 4.15Å |
| 61 | C | 91.5 | Very high | 91 | Very high | 18 Ų | 18 | 64 Ų | 64 | 12% | 0.122 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -120.1 | 2.6 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 113.3 | P58 Y59 G77 C80 | P58-C61 PolarHBondContact O-N 2.95Å; Y59-C61 PolarHBondContact O-N 3.06Å; C61-G77 PolarHBondContact O-N 3.03Å; C61-C80 WeakPolarHBondContact CB-SG 3.13Å |
| 62 | L | 93.3 | Very high | 92 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 144.1 | 161.6 | -55.3 | -171.7 | 0 | 0 | 0 | 109 | W57 Y59 F74 E75 L101 M105 T198 | W57-L62 HydrophobicContact CB-CD2 3.95Å; Y59-L62 HydrophobicContact CD1-CD1 4.17Å; Y59-L62 PolarHBondContact O-N 2.97Å; Y59-L62 VanDerWaalsContact O-N 3.1Å; L62-F74 HydrophobicContact CD2-CD2 3.5Å; L62-F74 HydrophobicContact CD2-CE2 3.89Å; L62-F74 HydrophobicContact CD2-CG 4.23Å; L62-E75 WeakPolarHBondContact CA-O 3.49Å; L62-L101 HydrophobicContact CD1-CD2 4.36Å; L62-M105 HydrophobicContact CB-CE 4.26Å; L62-M105 HydrophobicContact CD1-CE 3.84Å; L62-M105 HydrophobicContact CG-CE 4.42Å; L62-T198 PolarHBondContact O-OG1 2.66Å |
| 63 | R | 92.6 | Very high | 92.7 | Very high | 77 Ų | 77 | 44.8 Ų | 44.8 | 29% | 0.291 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -35.5 | -179.6 | -72.7 | 172.3 | 162.2 | 177.8 | -4.1 | 113.4 | E75 T198 | R63-E75 HydrophobicContact CB-CB 4.28Å; R63-E75 HydrophobicContact CB-CG 4.49Å; R63-E75 WeakPolarHBondContact CD-OE1 3.35Å; R63-E75 IonicContact CZ-OE1 3.64Å; R63-E75 PolarHBondContact N-O 2.96Å; R63-E75 IonicContact NE-OE1 3.82Å; R63-E75 IonicContact NH1-OE1 2.67Å; R63-E75 PolarHBondContact NH1-OE1 3.37Å; R63-T198 WeakPolarHBondContact CA-OG1 3.39Å; R63-T198 PolarHBondContact O-N 3.04Å; R63-T198 PolarHBondContact O-OG1 3Å; R63-T198 VanDerWaalsContact O-OG1 3.08Å |
| 64 | R | 92.9 | Very high | 93.1 | Very high | 57 Ų | 57 | 37.9 Ų | 37.9 | 22% | 0.215 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 153.6 | 166.4 | 61.7 | 175.9 | 172.1 | -69.9 | -16.3 | 108.7 | F74 E75 Y195 V196 | R64-F74 CarbonylContact O-C 3.47Å; R64-F74 VanDerWaalsContact O-CA 3.28Å; R64-F74 WeakPolarHBondContact O-CA 3.4Å; R64-F74 WeakPolarHBondContact O-CB 3.37Å; R64-E75 HydrophobicContact CG-CB 4.02Å; R64-E75 IonicContact CZ-OE2 2.74Å; R64-E75 IonicContact NH1-OE2 3.67Å; R64-E75 PolarHBondContact NH1-OE2 2.69Å; R64-E75 IonicContact NH2-OE2 3.83Å; R64-E75 PolarHBondContact NH2-OE2 3.1Å; R64-E75 PolarHBondContact O-N 2.86Å; R64-Y195 HydrophobicContact CG-CD1 4.19Å; R64-V196 CarbonylContact C-O 3.51Å; R64-V196 WeakPolarHBondContact CA-O 3.38Å; R64-V196 WeakPolarHBondContact CB-O 3.33Å |
| 65 | Y | 94.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 158.9 | 171.2 | 57.9 | -91.5 | 0 | 0 | 0 | 108.7 | S73 F98 L101 Q102 M105 V196 T198 | Y65-S73 CarbonylContact C-O 3.54Å; Y65-S73 WeakPolarHBondContact CA-O 3.12Å; Y65-F98 AromaticContact CD2-CD2 3.75Å; Y65-F98 HydrophobicContact CD2-CD2 3.75Å; Y65-F98 AromaticContact CD2-CE2 3.76Å; Y65-F98 HydrophobicContact CD2-CE2 3.76Å; Y65-F98 AromaticContact CE2-CD2 3.96Å; Y65-F98 HydrophobicContact CE2-CD2 3.96Å; Y65-F98 AromaticContact CE2-CE2 3.73Å; Y65-F98 HydrophobicContact CE2-CE2 3.73Å; Y65-F98 HydrophobicContact CE2-CZ 4.45Å; Y65-L101 HydrophobicContact CD1-CD2 4.01Å; Y65-L101 HydrophobicContact CD1-CG 4.43Å; Y65-L101 HydrophobicContact CD2-CD2 3.7Å; Y65-L101 HydrophobicContact CD2-CG 4.21Å; Y65-L101 HydrophobicContact CE2-CD2 4.28Å; Y65-L101 HydrophobicContact CE2-CG 4.3Å; Y65-L101 HydrophobicContact CG-CD2 3.54Å; Y65-L101 HydrophobicContact CG-CG 4.27Å; Y65-Q102 HydrophobicContact CE2-CG 3.92Å; Y65-M105 HydrophobicContact CD1-CE 4.14Å; Y65-M105 HydrophobicContact CE1-CE 4Å; Y65-M105 HydrophobicContact CE1-CG 4.03Å; Y65-M105 HydrophobicContact CE1-SD 4.47Å; Y65-V196 HydrophobicContact CE2-CB 4.28Å; Y65-V196 HydrophobicContact CE2-CG1 4.48Å; Y65-V196 PolarHBondContact N-O 2.67Å; Y65-V196 PolarHBondContact O-N 3.09Å; Y65-T198 HydrophobicContact CD1-CG2 4.19Å; Y65-T198 HydrophobicContact CE1-CG2 3.93Å |
| 66 | G | 94.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -171.8 | 166.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | F72 S73 T194 | G66-F72 WeakPolarHBondContact O-CD2 3.49Å; G66-S73 PolarHBondContact N-O 2.85Å; G66-S73 PolarHBondContact O-N 2.81Å; G66-S73 VanDerWaalsContact O-O 3.12Å; G66-S73 PolarHBondContact O-OG 3.31Å; G66-T194 CarbonylContact C-O 3.47Å; G66-T194 WeakPolarHBondContact CA-O 3.5Å |
| 67 | Y | 94.3 | Very high | 93.2 | Very high | 60 Ų | 60 | 30.6 Ų | 30.6 | 24% | 0.235 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 164.8 | 178.4 | 83.7 | -71.4 | 0 | 0 | 0 | 112.1 | L71 E95 F98 T194 | Y67-L71 CarbonylContact C-O 3.54Å; Y67-L71 VanDerWaalsContact CA-O 3.28Å; Y67-L71 WeakPolarHBondContact CA-O 3.32Å; Y67-E95 HydrophobicContact CD2-CB 4.23Å; Y67-E95 HydrophobicContact CE2-CB 3.91Å; Y67-E95 HydrophobicContact CE2-CG 3.89Å; Y67-F98 HydrophobicContact CD1-CB 3.81Å; Y67-F98 AromaticContact CD1-CD1 3.67Å; Y67-F98 HydrophobicContact CD1-CD1 3.67Å; Y67-F98 AromaticContact CD1-CD2 3.62Å; Y67-F98 HydrophobicContact CD1-CD2 3.62Å; Y67-F98 HydrophobicContact CD1-CE1 4.08Å; Y67-F98 HydrophobicContact CD1-CE2 4.04Å; Y67-F98 AromaticContact CD1-CG 3.41Å; Y67-F98 HydrophobicContact CD1-CG 3.41Å; Y67-F98 VanDerWaalsContact CD1-CG 3.41Å; Y67-F98 HydrophobicContact CD1-CZ 4.24Å; Y67-F98 HydrophobicContact CE1-CB 4.46Å; Y67-F98 AromaticContact CE1-CD1 3.62Å; Y67-F98 HydrophobicContact CE1-CD1 3.62Å; Y67-F98 HydrophobicContact CE1-CD2 4.34Å; Y67-F98 AromaticContact CE1-CE1 3.81Å; Y67-F98 HydrophobicContact CE1-CE1 3.81Å; Y67-F98 AromaticContact CE1-CG 3.9Å; Y67-F98 HydrophobicContact CE1-CG 3.9Å; Y67-F98 HydrophobicContact CE1-CZ 4.25Å; Y67-F98 HydrophobicContact CG-CB 4.09Å; Y67-F98 HydrophobicContact CG-CD2 4.46Å; Y67-F98 HydrophobicContact CG-CG 4.19Å; Y67-T194 PolarHBondContact N-O 3.36Å; Y67-T194 PolarHBondContact O-N 2.94Å |
| 68 | D | 91.9 | Very high | 93.1 | Very high | 15 Ų | 15 | 39.7 Ų | 39.7 | 8% | 0.08 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 129.1 | 166.1 | 149.2 | 51.4 | 0 | 0 | 0 | 105.6 | N70 L71 Q191 H193 | D68-N70 PolarHBondContact O-N 3.15Å; D68-L71 PolarHBondContact N-O 2.87Å; D68-L71 WeakPolarHBondContact O-CA 3.37Å; D68-L71 PolarHBondContact O-N 3.06Å; D68-L71 VanDerWaalsContact O-O 3.1Å; D68-Q191 PolarHBondContact OD1-NE2 3.4Å; D68-Q191 WeakPolarHBondContact OD2-CG 3.3Å; D68-H193 WeakPolarHBondContact CB-ND1 3.49Å; D68-H193 IonicContact OD2-CE1 3.43Å; D68-H193 PolarHBondContact OD2-CE1 3.32Å; D68-H193 IonicContact OD2-ND1 3.35Å |
| 69 | S | 87.3 | Confident | 92.8 | Very high | 76 Ų | 76 | 46.3 Ų | 46.3 | 53% | 0.531 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.6 | -83.4 | 163.8 | -49.3 | 0 | 0 | 0 | 0 | 116.9 | Q191 | S69-Q191 PolarHBondContact OG-NE2 3.15Å; S69-Q191 VanDerWaalsContact OG-NE2 3.14Å |
| 70 | N | 91.4 | Very high | 92.6 | Very high | 88 Ų | 88 | 46.6 Ų | 46.6 | 47% | 0.471 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 19.5 | -178.8 | 66.9 | 32.5 | 0 | 0 | 0 | 114.2 | D68 K90 C91 | D68-N70 PolarHBondContact O-N 3.15Å; N70-K90 CarbonylContact O-C 3.17Å; N70-K90 VanDerWaalsContact O-CA 3.3Å; N70-K90 WeakPolarHBondContact O-CA 3.48Å; N70-C91 CarbonylContact C-O 3.6Å; N70-C91 VanDerWaalsContact CA-O 3.25Å; N70-C91 WeakPolarHBondContact CA-O 3.42Å; N70-C91 CarbonylContact O-C 3.56Å; N70-C91 PolarHBondContact O-N 2.9Å; N70-C91 VanDerWaalsContact O-O 3.07Å |
| 71 | L | 93.8 | Very high | 92.4 | Very high | 33 Ų | 33 | 47.9 Ų | 47.9 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 122.4 | -173.8 | -169.7 | 75.8 | 0 | 0 | 0 | 110.5 | V26 Y67 D68 A88 | V26-L71 HydrophobicContact CG2-CD1 3.98Å; Y67-L71 CarbonylContact C-O 3.54Å; Y67-L71 VanDerWaalsContact CA-O 3.28Å; Y67-L71 WeakPolarHBondContact CA-O 3.32Å; D68-L71 PolarHBondContact N-O 2.87Å; D68-L71 WeakPolarHBondContact O-CA 3.37Å; D68-L71 PolarHBondContact O-N 3.06Å; D68-L71 VanDerWaalsContact O-O 3.1Å; L71-A88 HydrophobicContact CD1-CB 4.31Å |
| 72 | F | 95.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141.8 | 169.2 | 170.6 | -109 | 0 | 0 | 0 | 109.8 | L45 G66 F74 F89 A94 I97 L101 | L45-F72 HydrophobicContact CD2-CE1 4.26Å; G66-F72 WeakPolarHBondContact O-CD2 3.49Å; F72-F74 HydrophobicContact CD1-CD1 4.38Å; F72-F74 AromaticContact CE1-CD1 3.54Å; F72-F74 HydrophobicContact CE1-CD1 3.54Å; F72-F74 AromaticContact CE1-CE1 3.88Å; F72-F74 HydrophobicContact CE1-CE1 3.88Å; F72-F74 AromaticContact CZ-CD1 3.88Å; F72-F74 HydrophobicContact CZ-CD1 3.88Å; F72-F89 HydrophobicContact CD1-CD2 4.43Å; F72-F89 PolarHBondContact N-O 3.13Å; F72-F89 PolarHBondContact O-N 2.94Å; F72-A94 HydrophobicContact CB-CB 4.11Å; F72-I97 HydrophobicContact CB-CD1 4.38Å; F72-I97 HydrophobicContact CD1-CG2 3.74Å; F72-I97 HydrophobicContact CD2-CB 4.31Å; F72-I97 HydrophobicContact CD2-CG2 3.68Å; F72-I97 HydrophobicContact CE1-CG2 3.72Å; F72-I97 HydrophobicContact CE2-CG2 3.68Å; F72-I97 HydrophobicContact CG-CB 4.33Å; F72-I97 HydrophobicContact CG-CD1 4.49Å; F72-I97 HydrophobicContact CG-CG2 3.71Å; F72-I97 HydrophobicContact CZ-CG2 3.7Å; F72-L101 HydrophobicContact CE2-CD2 4.05Å; F72-L101 HydrophobicContact CZ-CD2 3.8Å |
| 73 | S | 95.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 154.9 | -176.7 | 66.6 | 0 | 0 | 0 | 0 | 113.5 | Y65 G66 F87 Y195 | Y65-S73 CarbonylContact C-O 3.54Å; Y65-S73 WeakPolarHBondContact CA-O 3.12Å; G66-S73 PolarHBondContact N-O 2.85Å; G66-S73 PolarHBondContact O-N 2.81Å; G66-S73 VanDerWaalsContact O-O 3.12Å; G66-S73 PolarHBondContact O-OG 3.31Å; S73-F87 CarbonylContact C-O 3.54Å; S73-F87 WeakPolarHBondContact CA-O 3.37Å; S73-Y195 WeakPolarHBondContact OG-CE1 3.42Å; S73-Y195 PolarHBondContact OG-OH 3.48Å |
| 74 | F | 95.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 152.9 | 173.1 | 59.2 | -89.8 | 0 | 0 | 0 | 113.2 | M38 L45 W57 L62 R64 F72 I86 F87 F89 | M38-F74 HydrophobicContact CE-CE1 4.2Å; L45-F74 HydrophobicContact CD2-CD1 3.92Å; L45-F74 HydrophobicContact CD2-CE1 3.39Å; L45-F74 HydrophobicContact CD2-CE2 4.31Å; L45-F74 HydrophobicContact CD2-CZ 3.61Å; W57-F74 AromaticContact CD2-CE2 3.78Å; W57-F74 HydrophobicContact CD2-CE2 3.78Å; W57-F74 AromaticContact CD2-CZ 3.71Å; W57-F74 HydrophobicContact CD2-CZ 3.71Å; W57-F74 AromaticContact CE2-CE2 3.86Å; W57-F74 AromaticContact CE2-CZ 3.85Å; W57-F74 HydrophobicContact CE3-CE2 4.25Å; W57-F74 AromaticContact CE3-CZ 3.72Å; W57-F74 HydrophobicContact CE3-CZ 3.72Å; W57-F74 AromaticContact CG-CE2 3.94Å; W57-F74 HydrophobicContact CG-CE2 3.94Å; W57-F74 HydrophobicContact CG-CZ 4.32Å; W57-F74 AromaticContact CH2-CZ 3.98Å; W57-F74 HydrophobicContact CH2-CZ 3.98Å; W57-F74 HydrophobicContact CZ2-CE2 4.35Å; W57-F74 AromaticContact CZ2-CZ 3.98Å; W57-F74 HydrophobicContact CZ2-CZ 3.98Å; W57-F74 AromaticContact CZ3-CZ 3.86Å; W57-F74 HydrophobicContact CZ3-CZ 3.86Å; L62-F74 HydrophobicContact CD2-CD2 3.5Å; L62-F74 HydrophobicContact CD2-CE2 3.89Å; L62-F74 HydrophobicContact CD2-CG 4.23Å; R64-F74 CarbonylContact O-C 3.47Å; R64-F74 VanDerWaalsContact O-CA 3.28Å; R64-F74 WeakPolarHBondContact O-CA 3.4Å; R64-F74 WeakPolarHBondContact O-CB 3.37Å; F72-F74 HydrophobicContact CD1-CD1 4.38Å; F72-F74 AromaticContact CE1-CD1 3.54Å; F72-F74 HydrophobicContact CE1-CD1 3.54Å; F72-F74 AromaticContact CE1-CE1 3.88Å; F72-F74 HydrophobicContact CE1-CE1 3.88Å; F72-F74 AromaticContact CZ-CD1 3.88Å; F72-F74 HydrophobicContact CZ-CD1 3.88Å; F74-I86 CarbonylContact O-C 3.55Å; F74-I86 WeakPolarHBondContact O-CA 3.28Å; F74-F87 HydrophobicContact CD2-CD2 4.19Å; F74-F87 HydrophobicContact CE1-CB 4.29Å; F74-F87 HydrophobicContact CE2-CB 4.29Å; F74-F87 AromaticContact CE2-CD2 3.55Å; F74-F87 HydrophobicContact CE2-CD2 3.55Å; F74-F87 HydrophobicContact CE2-CE2 4.39Å; F74-F87 HydrophobicContact CE2-CG 4.34Å; F74-F87 HydrophobicContact CZ-CB 4.07Å; F74-F87 AromaticContact CZ-CD2 3.97Å; F74-F87 HydrophobicContact CZ-CD2 3.97Å; F74-F87 HydrophobicContact CZ-CG 4.37Å; F74-F87 PolarHBondContact N-O 3.47Å; F74-F87 PolarHBondContact O-N 3.36Å; F74-F89 HydrophobicContact CD1-CE2 4.48Å; F74-F89 AromaticContact CE1-CD2 3.96Å; F74-F89 HydrophobicContact CE1-CD2 3.96Å; F74-F89 AromaticContact CE1-CE2 3.54Å; F74-F89 HydrophobicContact CE1-CE2 3.54Å; F74-F89 AromaticContact CZ-CE2 3.95Å; F74-F89 HydrophobicContact CZ-CE2 3.95Å |
| 75 | E | 95.8 | Very high | 92.1 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 10% | 0.098 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 126 | 166 | -168.3 | -168.5 | 151.1 | 0 | 0 | 110.5 | L62 R63 R64 I86 | L62-E75 WeakPolarHBondContact CA-O 3.49Å; R63-E75 HydrophobicContact CB-CB 4.28Å; R63-E75 HydrophobicContact CB-CG 4.49Å; R63-E75 WeakPolarHBondContact CD-OE1 3.35Å; R63-E75 IonicContact CZ-OE1 3.64Å; R63-E75 PolarHBondContact N-O 2.96Å; R63-E75 IonicContact NE-OE1 3.82Å; R63-E75 IonicContact NH1-OE1 2.67Å; R63-E75 PolarHBondContact NH1-OE1 3.37Å; R64-E75 HydrophobicContact CG-CB 4.02Å; R64-E75 IonicContact CZ-OE2 2.74Å; R64-E75 IonicContact NH1-OE2 3.67Å; R64-E75 PolarHBondContact NH1-OE2 2.69Å; R64-E75 IonicContact NH2-OE2 3.83Å; R64-E75 PolarHBondContact NH2-OE2 3.1Å; R64-E75 PolarHBondContact O-N 2.86Å; E75-I86 HydrophobicContact CB-CG1 4.13Å; E75-I86 HydrophobicContact CG-CG1 4.01Å |
| 76 | S | 94.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 143 | 169.7 | 62.7 | 0 | 0 | 0 | 0 | 112.1 | G83 Q84 G85 F87 | S76-G83 PolarHBondContact OG-O 3.31Å; S76-Q84 WeakPolarHBondContact O-CA 3.41Å; S76-G85 PolarHBondContact N-O 2.77Å; S76-G85 PolarHBondContact O-N 2.75Å; S76-G85 PolarHBondContact OG-N 2.86Å; S76-G85 VanDerWaalsContact OG-N 3.09Å; S76-G85 PolarHBondContact OG-O 3.28Å; S76-F87 WeakPolarHBondContact OG-CE2 3.21Å |
| 77 | G | 92.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 56.1 Ų | 56.1 | 6% | 0.062 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -82.8 | 163.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | C61 R79 C80 | C61-G77 PolarHBondContact O-N 3.03Å; G77-R79 PolarHBondContact O-N 3.31Å; G77-C80 PolarHBondContact O-N 2.94Å |
| 78 | R | 92.3 | Very high | 92.2 | Very high | 194 Ų | 194 | 54.3 Ų | 54.3 | 73% | 0.732 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -10.4 | -179.9 | -63 | -178.3 | -175.7 | -179.7 | -0.9 | 115.6 | Q84 | R78-Q84 HydrophobicContact CB-CB 4.41Å; R78-Q84 HydrophobicContact CG-CB 3.58Å; R78-Q84 HydrophobicContact CG-CG 4.46Å |
| 79 | R | 87.4 | Confident | 92.3 | Very high | 193 Ų | 193 | 53.6 Ų | 53.6 | 73% | 0.728 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -12.6 | 178.4 | -59.3 | -169 | -63 | -146 | 1.7 | 113.6 | L60 G77 | L60-R79 PolarHBondContact O-NH2 2.98Å; G77-R79 PolarHBondContact O-N 3.31Å |
| 80 | C | 89.2 | Confident | 92.7 | Very high | 9 Ų | 9 | 54.2 Ų | 54.2 | 6% | 0.061 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -72.6 | 155.5 | 177.4 | -68.7 | 0 | 0 | 0 | 0 | 111.9 | C61 G77 T82 G83 | C61-C80 WeakPolarHBondContact CB-SG 3.13Å; G77-C80 PolarHBondContact O-N 2.94Å; C80-T82 PolarHBondContact O-N 2.86Å; C80-T82 VanDerWaalsContact O-N 3.17Å; C80-G83 PolarHBondContact O-N 2.93Å |
| 81 | Q | 84.8 | Confident | 92.8 | Very high | 149 Ų | 149 | 50.2 Ų | 50.2 | 70% | 0.696 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -29.8 | 175.2 | -171.4 | -176.3 | 10.4 | 0 | 0 | 112.5 | G83 | Q81-G83 VanDerWaalsContact C-N 3.3Š|
| 82 | T | 88.6 | Confident | 92.7 | Very high | 56 Ų | 56 | 53.5 Ų | 53.5 | 34% | 0.344 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -5.5 | 175.2 | 55 | 0 | 0 | 0 | 0 | 114.7 | V55 W57 C80 F87 | V55-T82 HydrophobicContact CG1-CG2 3.37Å; W57-T82 HydrophobicContact CZ2-CG2 4.03Å; W57-T82 PolarHBondContact NE1-OG1 2.86Å; C80-T82 PolarHBondContact O-N 2.86Å; C80-T82 VanDerWaalsContact O-N 3.17Å; T82-F87 HydrophobicContact CG2-CE2 4.41Å; T82-F87 HydrophobicContact CG2-CZ 3.97Å |
| 83 | G | 90.3 | Very high | 92.5 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 27% | 0.268 | 27% | 0.273 | S | S | . | . | trans | 68.8 | -163.4 | -161.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S76 C80 Q81 | S76-G83 PolarHBondContact OG-O 3.31Å; C80-G83 PolarHBondContact O-N 2.93Å; Q81-G83 VanDerWaalsContact C-N 3.3Å | ||
| 84 | Q | 93.3 | Very high | 92.4 | Very high | 87 Ų | 87 | 54.4 Ų | 54.4 | 41% | 0.407 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -81.6 | 130.6 | 175.9 | 170.3 | -177.9 | -5.1 | 0 | 0 | 110.5 | S76 R78 | S76-Q84 WeakPolarHBondContact O-CA 3.41Å; R78-Q84 HydrophobicContact CB-CB 4.41Å; R78-Q84 HydrophobicContact CG-CB 3.58Å; R78-Q84 HydrophobicContact CG-CG 4.46Å |
| 85 | G | 92.9 | Very high | 92.2 | Very high | 22 Ų | 22 | 59.7 Ų | 59.7 | 23% | 0.227 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.9 | 160 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | S76 | S76-G85 PolarHBondContact N-O 2.77Å; S76-G85 PolarHBondContact O-N 2.75Å; S76-G85 PolarHBondContact OG-N 2.86Å; S76-G85 VanDerWaalsContact OG-N 3.09Å; S76-G85 PolarHBondContact OG-O 3.28Å |
| 86 | I | 93.9 | Very high | 92.1 | Very high | 96 Ų | 96 | 62.8 Ų | 62.8 | 49% | 0.492 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 138.2 | 165 | -58.9 | 174.1 | 0 | 0 | 0 | 107.1 | F74 E75 | F74-I86 CarbonylContact O-C 3.55Å; F74-I86 WeakPolarHBondContact O-CA 3.28Å; E75-I86 HydrophobicContact CB-CG1 4.13Å; E75-I86 HydrophobicContact CG-CG1 4.01Å |
| 87 | F | 94.3 | Very high | 92.1 | Very high | 44 Ų | 44 | 62.8 Ų | 62.8 | 19% | 0.193 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.5 | 172.9 | -59.6 | -72.4 | 0 | 0 | 0 | 109.8 | W57 S73 F74 S76 T82 F89 | W57-F87 AromaticContact CE2-CE2 3.96Å; W57-F87 HydrophobicContact CZ2-CD2 4Å; W57-F87 AromaticContact CZ2-CE2 3.99Å; W57-F87 HydrophobicContact CZ2-CE2 3.99Å; W57-F87 HydrophobicContact CZ2-CG 4.37Å; W57-F87 HydrophobicContact CZ2-CZ 4.38Å; W57-F87 AromaticContact NE1-CE2 3.49Å; S73-F87 CarbonylContact C-O 3.54Å; S73-F87 WeakPolarHBondContact CA-O 3.37Å; F74-F87 HydrophobicContact CD2-CD2 4.19Å; F74-F87 HydrophobicContact CE1-CB 4.29Å; F74-F87 HydrophobicContact CE2-CB 4.29Å; F74-F87 AromaticContact CE2-CD2 3.55Å; F74-F87 HydrophobicContact CE2-CD2 3.55Å; F74-F87 HydrophobicContact CE2-CE2 4.39Å; F74-F87 HydrophobicContact CE2-CG 4.34Å; F74-F87 HydrophobicContact CZ-CB 4.07Å; F74-F87 AromaticContact CZ-CD2 3.97Å; F74-F87 HydrophobicContact CZ-CD2 3.97Å; F74-F87 HydrophobicContact CZ-CG 4.37Å; F74-F87 PolarHBondContact N-O 3.47Å; F74-F87 PolarHBondContact O-N 3.36Å; S76-F87 WeakPolarHBondContact OG-CE2 3.21Å; T82-F87 HydrophobicContact CG2-CE2 4.41Å; T82-F87 HydrophobicContact CG2-CZ 3.97Å; F87-F89 HydrophobicContact CB-CD2 4.31Å; F87-F89 HydrophobicContact CB-CE2 3.51Å; F87-F89 HydrophobicContact CB-CZ 4.1Å; F87-F89 HydrophobicContact CG-CE2 4.47Å |
| 88 | A | 95.4 | Very high | 92.1 | Very high | 23 Ų | 23 | 62.9 Ų | 62.9 | 19% | 0.19 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 139.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | V26 L71 | V26-A88 HydrophobicContact CG2-CB 3.7Å; V26-A88 PolarHBondContact N-O 3.36Å; V26-A88 VanDerWaalsContact N-O 3.13Å; L71-A88 HydrophobicContact CD1-CB 4.31Å |
| 89 | F | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 108.1 | -168.7 | -70.3 | -75.7 | 0 | 0 | 0 | 110.9 | V23 T24 N25 M38 L47 W57 F72 F74 F87 C91 | V23-F89 HydrophobicContact CB-CB 4.18Å; V23-F89 HydrophobicContact CB-CD1 4.12Å; V23-F89 HydrophobicContact CG1-CB 4.42Å; V23-F89 HydrophobicContact CG2-CD1 3.84Å; V23-F89 HydrophobicContact CG2-CE1 4.41Å; T24-F89 CarbonylContact O-C 3.5Å; T24-F89 WeakPolarHBondContact O-CA 3.22Å; N25-F89 HydrophobicContact CB-CD1 4.12Å; N25-F89 HydrophobicContact CB-CE1 3.83Å; M38-F89 HydrophobicContact CE-CD1 4.07Å; M38-F89 HydrophobicContact CE-CD2 3.61Å; M38-F89 HydrophobicContact CE-CE1 3.96Å; M38-F89 HydrophobicContact CE-CE2 3.48Å; M38-F89 VanDerWaalsContact CE-CE2 3.48Å; M38-F89 HydrophobicContact CE-CG 3.91Å; M38-F89 HydrophobicContact CE-CZ 3.67Å; L47-F89 HydrophobicContact CD1-CE1 3.97Å; L47-F89 HydrophobicContact CD2-CE1 3.67Å; L47-F89 HydrophobicContact CD2-CZ 3.87Å; L47-F89 HydrophobicContact CG-CE1 4.42Å; W57-F89 HydrophobicContact CH2-CZ 4.17Å; F72-F89 HydrophobicContact CD1-CD2 4.43Å; F72-F89 PolarHBondContact N-O 3.13Å; F72-F89 PolarHBondContact O-N 2.94Å; F74-F89 HydrophobicContact CD1-CE2 4.48Å; F74-F89 AromaticContact CE1-CD2 3.96Å; F74-F89 HydrophobicContact CE1-CD2 3.96Å; F74-F89 AromaticContact CE1-CE2 3.54Å; F74-F89 HydrophobicContact CE1-CE2 3.54Å; F74-F89 AromaticContact CZ-CE2 3.95Å; F74-F89 HydrophobicContact CZ-CE2 3.95Å; F87-F89 HydrophobicContact CB-CD2 4.31Å; F87-F89 HydrophobicContact CB-CE2 3.51Å; F87-F89 HydrophobicContact CB-CZ 4.1Å; F87-F89 HydrophobicContact CG-CE2 4.47Å; F89-C91 PolarHBondContact O-N 3.47Å |
| 90 | K | 94.4 | Very high | 92.5 | Very high | 88 Ų | 88 | 49.2 Ų | 49.2 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 120.7 | 174.1 | -171.1 | 176.5 | 179.2 | -178.1 | 0 | 109.6 | V23 T24 V26 E32 N70 | V23-K90 WeakPolarHBondContact CA-O 3.2Å; T24-K90 PolarHBondContact N-O 3.18Å; T24-K90 PolarHBondContact O-N 3.05Å; V26-K90 HydrophobicContact CG1-CB 4.19Å; E32-K90 WeakPolarHBondContact OE1-CD 3.12Å; E32-K90 WeakPolarHBondContact OE1-CE 3.4Å; E32-K90 IonicContact OE1-NZ 2.7Å; E32-K90 PolarHBondContact OE1-NZ 2.93Å; N70-K90 CarbonylContact O-C 3.17Å; N70-K90 VanDerWaalsContact O-CA 3.3Å; N70-K90 WeakPolarHBondContact O-CA 3.48Å |
| 91 | C | 93.1 | Very high | 92.7 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | trans | -155.3 | 130 | -176 | -170.1 | 0 | 0 | 0 | 0 | 110.3 | K22 V23 N70 F89 R93 A94 I97 | K22-C91 PolarHBondContact O-SG 3.38Å; V23-C91 HydrophobicContact CG1-CB 4.01Å; N70-C91 CarbonylContact C-O 3.6Å; N70-C91 VanDerWaalsContact CA-O 3.25Å; N70-C91 WeakPolarHBondContact CA-O 3.42Å; N70-C91 CarbonylContact O-C 3.56Å; N70-C91 PolarHBondContact O-N 2.9Å; N70-C91 VanDerWaalsContact O-O 3.07Å; F89-C91 PolarHBondContact O-N 3.47Å; C91-R93 PolarHBondContact O-N 3Å; C91-R93 PolarHBondContact SG-N 3.03Å; C91-A94 WeakPolarHBondContact O-CB 3.22Å; C91-A94 PolarHBondContact O-N 3.31Å; C91-I97 HydrophobicContact CB-CD1 4.22Å | ||
| 92 | S | 91.9 | Very high | 93 | Very high | 102 Ų | 102 | 43.4 Ų | 43.4 | 71% | 0.713 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -18.2 | 173.5 | 47.2 | 0 | 0 | 0 | 0 | 114 | ||
| 93 | R | 91.2 | Very high | 93.1 | Very high | 22 Ų | 22 | 45.4 Ų | 45.4 | 8% | 0.083 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 30.4 | -178.8 | -60.8 | 175.9 | 64.5 | -144.7 | -7.9 | 111.4 | D15 H17 K20 F21 C91 E95 E96 I97 | D15-R93 PolarHBondContact O-NH1 3.25Å; H17-R93 PolarHBondContact O-NH1 2.83Å; H17-R93 PolarHBondContact O-NH2 3.09Å; K20-R93 PolarHBondContact O-NH1 3.47Å; F21-R93 HydrophobicContact CD1-CB 3.81Å; F21-R93 VanDerWaalsContact CD1-CZ 3.49Å; F21-R93 HydrophobicContact CE1-CB 4.29Å; F21-R93 VanDerWaalsContact CE1-CZ 3.45Å; C91-R93 PolarHBondContact O-N 3Å; C91-R93 PolarHBondContact SG-N 3.03Å; R93-E95 VanDerWaalsContact C-N 3.31Å; R93-E95 PolarHBondContact O-N 3.21Å; R93-E96 HydrophobicContact CB-CB 4.4Å; R93-E96 WeakPolarHBondContact CB-OE1 3.34Å; R93-E96 WeakPolarHBondContact CD-OE1 3.3Å; R93-E96 VanDerWaalsContact CG-OE1 3.24Å; R93-E96 WeakPolarHBondContact CG-OE1 3.38Å; R93-E96 IonicContact CZ-OE1 2.67Å; R93-E96 IonicContact CZ-OE2 3.52Å; R93-E96 IonicContact NE-OE1 3.58Å; R93-E96 PolarHBondContact NE-OE1 2.72Å; R93-E96 IonicContact NE-OE2 2.81Å; R93-E96 PolarHBondContact NE-OE2 3.02Å; R93-E96 IonicContact NH2-OE1 3.22Å; R93-E96 IonicContact NH2-OE2 3.72Å; R93-E96 PolarHBondContact NH2-OE2 2.83Å; R93-E96 PolarHBondContact O-N 2.68Å; R93-I97 WeakPolarHBondContact O-CG1 3.45Å; R93-I97 PolarHBondContact O-N 3.38Å; R93-I97 VanDerWaalsContact O-N 3.14Å |
| 94 | A | 93.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.3 | -37.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | F72 C91 I97 F98 | F72-A94 HydrophobicContact CB-CB 4.11Å; C91-A94 WeakPolarHBondContact O-CB 3.22Å; C91-A94 PolarHBondContact O-N 3.31Å; A94-I97 PolarHBondContact O-N 2.92Å; A94-F98 PolarHBondContact O-N 3.12Å |
| 95 | E | 92.8 | Very high | 93 | Very high | 110 Ų | 110 | 40.8 Ų | 40.8 | 51% | 0.514 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.9 | -44 | 174.4 | -168 | -162.9 | 141.8 | 0 | 0 | 111.9 | Y67 R93 I97 F98 N99 | Y67-E95 HydrophobicContact CD2-CB 4.23Å; Y67-E95 HydrophobicContact CE2-CB 3.91Å; Y67-E95 HydrophobicContact CE2-CG 3.89Å; R93-E95 VanDerWaalsContact C-N 3.31Å; R93-E95 PolarHBondContact O-N 3.21Å; E95-I97 VanDerWaalsContact C-N 3.32Å; E95-I97 PolarHBondContact O-N 3.28Å; E95-F98 WeakPolarHBondContact O-CB 3.4Å; E95-F98 PolarHBondContact O-N 3.43Å; E95-F98 VanDerWaalsContact O-N 3.14Å; E95-N99 WeakPolarHBondContact O-CB 3.39Å; E95-N99 VanDerWaalsContact O-CG 3.31Å; E95-N99 PolarHBondContact O-N 2.97Å; E95-N99 PolarHBondContact O-ND2 3.48Å; E95-N99 PolarHBondContact OE1-ND2 3.23Å |
| 96 | E | 93.3 | Very high | 92.6 | Very high | 87 Ų | 87 | 46 Ų | 46 | 41% | 0.407 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.2 | -37.8 | 177.1 | -66.6 | -179 | -108.1 | 0 | 0 | 112.3 | F21 R93 F98 L100 | F21-E96 HydrophobicContact CE1-CB 3.66Å; F21-E96 HydrophobicContact CZ-CB 4.24Å; R93-E96 HydrophobicContact CB-CB 4.4Å; R93-E96 WeakPolarHBondContact CB-OE1 3.34Å; R93-E96 WeakPolarHBondContact CD-OE1 3.3Å; R93-E96 VanDerWaalsContact CG-OE1 3.24Å; R93-E96 WeakPolarHBondContact CG-OE1 3.38Å; R93-E96 IonicContact CZ-OE1 2.67Å; R93-E96 IonicContact CZ-OE2 3.52Å; R93-E96 IonicContact NE-OE1 3.58Å; R93-E96 PolarHBondContact NE-OE1 2.72Å; R93-E96 IonicContact NE-OE2 2.81Å; R93-E96 PolarHBondContact NE-OE2 3.02Å; R93-E96 IonicContact NH2-OE1 3.22Å; R93-E96 IonicContact NH2-OE2 3.72Å; R93-E96 PolarHBondContact NH2-OE2 2.83Å; R93-E96 PolarHBondContact O-N 2.68Å; E96-F98 VanDerWaalsContact C-N 3.34Å; E96-L100 VanDerWaalsContact O-CB 3.22Å; E96-L100 WeakPolarHBondContact O-CB 3.47Å; E96-L100 PolarHBondContact O-N 3.48Å |
| 97 | I | 94.1 | Very high | 92 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | 173.2 | -65.1 | 169.9 | 0 | 0 | 0 | 110.2 | F21 V23 L40 F72 C91 R93 A94 E95 L101 | F21-I97 HydrophobicContact CB-CD1 3.74Å; F21-I97 HydrophobicContact CB-CG1 3.92Å; F21-I97 HydrophobicContact CD1-CD1 4.29Å; F21-I97 HydrophobicContact CD1-CG1 3.66Å; F21-I97 HydrophobicContact CD2-CD1 4.34Å; F21-I97 HydrophobicContact CD2-CG1 3.64Å; F21-I97 HydrophobicContact CE1-CG1 4.02Å; F21-I97 HydrophobicContact CE2-CG1 4.01Å; F21-I97 HydrophobicContact CG-CD1 3.88Å; F21-I97 HydrophobicContact CG-CG1 3.45Å; F21-I97 VanDerWaalsContact CG-CG1 3.45Å; F21-I97 HydrophobicContact CZ-CG1 4.19Å; V23-I97 HydrophobicContact CG1-CD1 4.22Å; L40-I97 HydrophobicContact CD1-CG2 4.1Å; L40-I97 HydrophobicContact CD2-CG2 4.27Å; F72-I97 HydrophobicContact CB-CD1 4.38Å; F72-I97 HydrophobicContact CD1-CG2 3.74Å; F72-I97 HydrophobicContact CD2-CB 4.31Å; F72-I97 HydrophobicContact CD2-CG2 3.68Å; F72-I97 HydrophobicContact CE1-CG2 3.72Å; F72-I97 HydrophobicContact CE2-CG2 3.68Å; F72-I97 HydrophobicContact CG-CB 4.33Å; F72-I97 HydrophobicContact CG-CD1 4.49Å; F72-I97 HydrophobicContact CG-CG2 3.71Å; F72-I97 HydrophobicContact CZ-CG2 3.7Å; C91-I97 HydrophobicContact CB-CD1 4.22Å; R93-I97 WeakPolarHBondContact O-CG1 3.45Å; R93-I97 PolarHBondContact O-N 3.38Å; R93-I97 VanDerWaalsContact O-N 3.14Å; A94-I97 PolarHBondContact O-N 2.92Å; E95-I97 VanDerWaalsContact C-N 3.32Å; E95-I97 PolarHBondContact O-N 3.28Å; I97-L101 WeakPolarHBondContact O-CB 3.46Å; I97-L101 PolarHBondContact O-N 2.96Å |
| 98 | F | 93.5 | Very high | 91.4 | Very high | 8 Ų | 8 | 46.4 Ų | 46.4 | 4% | 0.035 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.1 | -49.5 | -179.2 | 175.7 | -93.6 | 0 | 0 | 0 | 112.1 | Y65 Y67 A94 E95 E96 L100 L101 Q102 V196 | Y65-F98 AromaticContact CD2-CD2 3.75Å; Y65-F98 HydrophobicContact CD2-CD2 3.75Å; Y65-F98 AromaticContact CD2-CE2 3.76Å; Y65-F98 HydrophobicContact CD2-CE2 3.76Å; Y65-F98 AromaticContact CE2-CD2 3.96Å; Y65-F98 HydrophobicContact CE2-CD2 3.96Å; Y65-F98 AromaticContact CE2-CE2 3.73Å; Y65-F98 HydrophobicContact CE2-CE2 3.73Å; Y65-F98 HydrophobicContact CE2-CZ 4.45Å; Y67-F98 HydrophobicContact CD1-CB 3.81Å; Y67-F98 AromaticContact CD1-CD1 3.67Å; Y67-F98 HydrophobicContact CD1-CD1 3.67Å; Y67-F98 AromaticContact CD1-CD2 3.62Å; Y67-F98 HydrophobicContact CD1-CD2 3.62Å; Y67-F98 HydrophobicContact CD1-CE1 4.08Å; Y67-F98 HydrophobicContact CD1-CE2 4.04Å; Y67-F98 AromaticContact CD1-CG 3.41Å; Y67-F98 HydrophobicContact CD1-CG 3.41Å; Y67-F98 VanDerWaalsContact CD1-CG 3.41Å; Y67-F98 HydrophobicContact CD1-CZ 4.24Å; Y67-F98 HydrophobicContact CE1-CB 4.46Å; Y67-F98 AromaticContact CE1-CD1 3.62Å; Y67-F98 HydrophobicContact CE1-CD1 3.62Å; Y67-F98 HydrophobicContact CE1-CD2 4.34Å; Y67-F98 AromaticContact CE1-CE1 3.81Å; Y67-F98 HydrophobicContact CE1-CE1 3.81Å; Y67-F98 AromaticContact CE1-CG 3.9Å; Y67-F98 HydrophobicContact CE1-CG 3.9Å; Y67-F98 HydrophobicContact CE1-CZ 4.25Å; Y67-F98 HydrophobicContact CG-CB 4.09Å; Y67-F98 HydrophobicContact CG-CD2 4.46Å; Y67-F98 HydrophobicContact CG-CG 4.19Å; A94-F98 PolarHBondContact O-N 3.12Å; E95-F98 WeakPolarHBondContact O-CB 3.4Å; E95-F98 PolarHBondContact O-N 3.43Å; E95-F98 VanDerWaalsContact O-N 3.14Å; E96-F98 VanDerWaalsContact C-N 3.34Å; F98-L100 PolarHBondContact O-N 3.03Å; F98-L101 WeakPolarHBondContact O-CB 3.41Å; F98-L101 PolarHBondContact O-N 3.24Å; F98-L101 VanDerWaalsContact O-N 3.15Å; F98-Q102 HydrophobicContact CE1-CG 4.17Å; F98-Q102 HydrophobicContact CZ-CG 4.31Å; F98-Q102 PolarHBondContact O-N 3.4Å; F98-V196 HydrophobicContact CE2-CB 4.41Å; F98-V196 HydrophobicContact CE2-CG2 3.84Å; F98-V196 HydrophobicContact CZ-CG2 3.68Å |
| 99 | N | 93.4 | Very high | 90.6 | Very high | 63 Ų | 63 | 50.3 Ų | 50.3 | 34% | 0.337 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.9 | -46.1 | 178.7 | -67.8 | -20.1 | 0 | 0 | 0 | 111.3 | E95 L101 Q102 D103 | E95-N99 WeakPolarHBondContact O-CB 3.39Å; E95-N99 VanDerWaalsContact O-CG 3.31Å; E95-N99 PolarHBondContact O-N 2.97Å; E95-N99 PolarHBondContact O-ND2 3.48Å; E95-N99 PolarHBondContact OE1-ND2 3.23Å; N99-L101 VanDerWaalsContact C-N 3.31Å; N99-L101 PolarHBondContact O-N 2.88Å; N99-Q102 PolarHBondContact O-N 2.67Å; N99-D103 PolarHBondContact O-N 2.9Å |
| 100 | L | 93.2 | Very high | 89.8 | Confident | 37 Ų | 37 | 51.2 Ų | 51.2 | 19% | 0.194 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.6 | -34.8 | 176 | 179.1 | 59.7 | 0 | 0 | 0 | 112 | P18 T19 F21 L40 E96 F98 D103 L104 | P18-L100 WeakPolarHBondContact O-CD2 3.33Å; T19-L100 HydrophobicContact CG2-CD2 4.14Å; F21-L100 HydrophobicContact CE2-CD2 4.03Å; F21-L100 HydrophobicContact CZ-CD2 4.14Å; L40-L100 HydrophobicContact CB-CD2 3.87Å; L40-L100 HydrophobicContact CB-CG 4.35Å; L40-L100 HydrophobicContact CD2-CB 4.04Å; L40-L100 HydrophobicContact CD2-CD2 3.91Å; L40-L100 HydrophobicContact CD2-CG 3.82Å; L40-L100 HydrophobicContact CG-CD2 4.44Å; E96-L100 VanDerWaalsContact O-CB 3.22Å; E96-L100 WeakPolarHBondContact O-CB 3.47Å; E96-L100 PolarHBondContact O-N 3.48Å; F98-L100 PolarHBondContact O-N 3.03Å; L100-D103 PolarHBondContact O-N 3.17Å; L100-L104 HydrophobicContact CD1-CD1 3.99Å; L100-L104 HydrophobicContact CD1-CG 4.15Å; L100-L104 HydrophobicContact CG-CD1 3.86Å; L100-L104 HydrophobicContact CG-CG 4.47Å; L100-L104 WeakPolarHBondContact O-CB 3.5Å; L100-L104 WeakPolarHBondContact O-CD1 3.2Å; L100-L104 WeakPolarHBondContact O-CG 3.5Å; L100-L104 PolarHBondContact O-N 2.84Å |
| 101 | L | 93.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.3 | -38.5 | 175.5 | -174.3 | 58.1 | 0 | 0 | 0 | 111.9 | L40 Y59 L62 Y65 F72 I97 F98 N99 L104 M105 | L40-L101 HydrophobicContact CD2-CB 4.07Å; Y59-L101 HydrophobicContact CD1-CD1 3.6Å; Y59-L101 HydrophobicContact CE1-CD1 3.27Å; L62-L101 HydrophobicContact CD1-CD2 4.36Å; Y65-L101 HydrophobicContact CD1-CD2 4.01Å; Y65-L101 HydrophobicContact CD1-CG 4.43Å; Y65-L101 HydrophobicContact CD2-CD2 3.7Å; Y65-L101 HydrophobicContact CD2-CG 4.21Å; Y65-L101 HydrophobicContact CE2-CD2 4.28Å; Y65-L101 HydrophobicContact CE2-CG 4.3Å; Y65-L101 HydrophobicContact CG-CD2 3.54Å; Y65-L101 HydrophobicContact CG-CG 4.27Å; F72-L101 HydrophobicContact CE2-CD2 4.05Å; F72-L101 HydrophobicContact CZ-CD2 3.8Å; I97-L101 WeakPolarHBondContact O-CB 3.46Å; I97-L101 PolarHBondContact O-N 2.96Å; F98-L101 WeakPolarHBondContact O-CB 3.41Å; F98-L101 PolarHBondContact O-N 3.24Å; F98-L101 VanDerWaalsContact O-N 3.15Å; N99-L101 VanDerWaalsContact C-N 3.31Å; N99-L101 PolarHBondContact O-N 2.88Å; L101-L104 PolarHBondContact O-N 3.28Å; L101-M105 HydrophobicContact CD1-CE 3.95Å; L101-M105 HydrophobicContact CD1-CG 4.4Å; L101-M105 HydrophobicContact CG-CE 4.37Å; L101-M105 HydrophobicContact CG-CG 4.48Å; L101-M105 WeakPolarHBondContact O-CB 3.47Å; L101-M105 WeakPolarHBondContact O-CG 2.91Å; L101-M105 PolarHBondContact O-N 2.87Å |
| 102 | Q | 91.6 | Very high | 87.6 | Confident | 36 Ų | 36 | 55 Ų | 55 | 17% | 0.168 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.3 | -49.5 | 172 | -73.7 | 179.7 | -51.4 | 0 | 0 | 111.4 | Y65 F98 N99 L104 M105 Q106 | Y65-Q102 HydrophobicContact CE2-CG 3.92Å; F98-Q102 HydrophobicContact CE1-CG 4.17Å; F98-Q102 HydrophobicContact CZ-CG 4.31Å; F98-Q102 PolarHBondContact O-N 3.4Å; N99-Q102 PolarHBondContact O-N 2.67Å; Q102-L104 VanDerWaalsContact C-N 3.31Å; Q102-L104 PolarHBondContact O-N 2.86Å; Q102-M105 PolarHBondContact O-N 3.08Å; Q102-Q106 WeakPolarHBondContact O-CG 3.33Å; Q102-Q106 PolarHBondContact O-N 2.67Å |
| 103 | D | 90.9 | Very high | 86.1 | Confident | 97 Ų | 97 | 53.6 Ų | 53.6 | 52% | 0.519 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -56.4 | -44.2 | 177.1 | -87.1 | -7.9 | 0 | 0 | 0 | 111.9 | N99 L100 Q106 C107 | N99-D103 PolarHBondContact O-N 2.9Å; L100-D103 PolarHBondContact O-N 3.17Å; D103-Q106 PolarHBondContact O-N 3.22Å; D103-C107 WeakPolarHBondContact O-CB 3.35Å; D103-C107 PolarHBondContact O-N 2.98Å; D103-C107 PolarHBondContact O-SG 2.89Å |
| 104 | L | 91.2 | Very high | 84.6 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.1 | -38.1 | -179.2 | -70.8 | 169.2 | 0 | 0 | 0 | 112.5 | L40 T41 Y59 L100 L101 Q102 N108 | L40-L104 HydrophobicContact CB-CD1 3.92Å; L40-L104 HydrophobicContact CD2-CD1 4.31Å; T41-L104 WeakPolarHBondContact O-CD1 3.34Å; Y59-L104 HydrophobicContact CE2-CB 4.26Å; L100-L104 HydrophobicContact CD1-CD1 3.99Å; L100-L104 HydrophobicContact CD1-CG 4.15Å; L100-L104 HydrophobicContact CG-CD1 3.86Å; L100-L104 HydrophobicContact CG-CG 4.47Å; L100-L104 WeakPolarHBondContact O-CB 3.5Å; L100-L104 WeakPolarHBondContact O-CD1 3.2Å; L100-L104 WeakPolarHBondContact O-CG 3.5Å; L100-L104 PolarHBondContact O-N 2.84Å; L101-L104 PolarHBondContact O-N 3.28Å; Q102-L104 VanDerWaalsContact C-N 3.31Å; Q102-L104 PolarHBondContact O-N 2.86Å; L104-N108 VanDerWaalsContact O-CB 3.3Å; L104-N108 WeakPolarHBondContact O-CB 3.49Å; L104-N108 PolarHBondContact O-N 2.8Å; L104-N108 PolarHBondContact O-ND2 3.05Å |
| 105 | M | 89.2 | Confident | 82.5 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -60.3 | -47 | 172.4 | -72.7 | -77.6 | 179.2 | 0 | 0 | 111.1 | Y59 L62 Y65 L101 Q102 N108 S109 I110 V112 T198 | Y59-M105 HydrophobicContact CD1-CE 3.92Å; Y59-M105 HydrophobicContact CG-CE 4.14Å; L62-M105 HydrophobicContact CB-CE 4.26Å; L62-M105 HydrophobicContact CD1-CE 3.84Å; L62-M105 HydrophobicContact CG-CE 4.42Å; Y65-M105 HydrophobicContact CD1-CE 4.14Å; Y65-M105 HydrophobicContact CE1-CE 4Å; Y65-M105 HydrophobicContact CE1-CG 4.03Å; Y65-M105 HydrophobicContact CE1-SD 4.47Å; L101-M105 HydrophobicContact CD1-CE 3.95Å; L101-M105 HydrophobicContact CD1-CG 4.4Å; L101-M105 HydrophobicContact CG-CE 4.37Å; L101-M105 HydrophobicContact CG-CG 4.48Å; L101-M105 WeakPolarHBondContact O-CB 3.47Å; L101-M105 WeakPolarHBondContact O-CG 2.91Å; L101-M105 PolarHBondContact O-N 2.87Å; Q102-M105 PolarHBondContact O-N 3.08Å; M105-N108 CarbonylContact O-C 3.58Å; M105-N108 PolarHBondContact O-N 2.94Å; M105-S109 PolarHBondContact O-N 2.91Å; M105-I110 HydrophobicContact CB-CB 4.44Å; M105-I110 PolarHBondContact O-N 2.82Å; M105-I110 HydrophobicContact SD-CB 3.94Å; M105-I110 HydrophobicContact SD-CD1 3.65Å; M105-I110 HydrophobicContact SD-CG1 4.37Å; M105-I110 HydrophobicContact SD-CG2 3.77Å; M105-V112 HydrophobicContact CB-CG2 3.79Å; M105-V112 HydrophobicContact CG-CG2 4.28Å; M105-T198 HydrophobicContact CE-CG2 4.1Å; M105-T198 HydrophobicContact SD-CG2 4.1Å |
| 106 | Q | 85.4 | Confident | 80.3 | Confident | 132 Ų | 132 | 64.5 Ų | 64.5 | 62% | 0.617 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.7 | -47.6 | 177.7 | -70.1 | 175.9 | 55.1 | 0 | 0 | 112.1 | Q102 D103 N108 S109 | Q102-Q106 WeakPolarHBondContact O-CG 3.33Å; Q102-Q106 PolarHBondContact O-N 2.67Å; D103-Q106 PolarHBondContact O-N 3.22Å; Q106-N108 PolarHBondContact O-N 3.14Å; Q106-S109 PolarHBondContact O-N 3.44Å |
| 107 | C | 82 | Confident | 78.3 | Confident | 94 Ų | 94 | 63.4 Ų | 63.4 | 64% | 0.635 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -60.1 | -32.1 | 177 | -72.5 | 0 | 0 | 0 | 0 | 112.7 | D103 S109 | D103-C107 WeakPolarHBondContact O-CB 3.35Å; D103-C107 PolarHBondContact O-N 2.98Å; D103-C107 PolarHBondContact O-SG 2.89Å; C107-S109 VanDerWaalsContact C-N 3.26Å; C107-S109 PolarHBondContact O-N 2.9Å |
| 108 | N | 80.1 | Confident | 76.1 | Confident | 54 Ų | 54 | 67.9 Ų | 67.9 | 29% | 0.289 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 5.3 | 176.2 | -65.9 | -25.8 | 0 | 0 | 0 | 113.6 | Q42 Y59 L104 M105 Q106 I110 | Q42-N108 PolarHBondContact NE2-OD1 3.23Å; Q42-N108 PolarHBondContact O-ND2 3.38Å; Q42-N108 PolarHBondContact O-OD1 2.77Å; Y59-N108 WeakPolarHBondContact CD2-ND2 3.43Å; L104-N108 VanDerWaalsContact O-CB 3.3Å; L104-N108 WeakPolarHBondContact O-CB 3.49Å; L104-N108 PolarHBondContact O-N 2.8Å; L104-N108 PolarHBondContact O-ND2 3.05Å; M105-N108 CarbonylContact O-C 3.58Å; M105-N108 PolarHBondContact O-N 2.94Å; Q106-N108 PolarHBondContact O-N 3.14Å; N108-I110 HydrophobicContact CB-CD1 4.02Å; N108-I110 HydrophobicContact CB-CG1 3.97Å; N108-I110 PolarHBondContact O-N 2.81Å |
| 109 | S | 78.6 | Confident | 73.9 | Confident | 105 Ų | 105 | 72 Ų | 72 | 73% | 0.734 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 32.3 | -176.4 | -55.1 | 0 | 0 | 0 | 0 | 114 | M105 Q106 C107 | M105-S109 PolarHBondContact O-N 2.91Å; Q106-S109 PolarHBondContact O-N 3.44Å; C107-S109 VanDerWaalsContact C-N 3.26Å; C107-S109 PolarHBondContact O-N 2.9Å |
| 110 | I | 79.4 | Confident | 71.4 | Confident | 19 Ų | 19 | 73.9 Ų | 73.9 | 10% | 0.097 | 41% | 0.414 | C | S | . | . | trans | -83.5 | 118.6 | 173.8 | -56.7 | 177.5 | 0 | 0 | 0 | 107.2 | L60 M105 N108 V112 | L60-I110 HydrophobicContact CD2-CD1 3.81Å; L60-I110 HydrophobicContact CD2-CG1 3.78Å; L60-I110 HydrophobicContact CG-CD1 4.15Å; M105-I110 HydrophobicContact CB-CB 4.44Å; M105-I110 PolarHBondContact O-N 2.82Å; M105-I110 HydrophobicContact SD-CB 3.94Å; M105-I110 HydrophobicContact SD-CD1 3.65Å; M105-I110 HydrophobicContact SD-CG1 4.37Å; M105-I110 HydrophobicContact SD-CG2 3.77Å; N108-I110 HydrophobicContact CB-CD1 4.02Å; N108-I110 HydrophobicContact CB-CG1 3.97Å; N108-I110 PolarHBondContact O-N 2.81Å; I110-V112 PolarHBondContact O-N 2.94Å | ||
| 111 | N | 70.4 | Confident | 69 | Low | 126 Ų | 126 | 82.9 Ų | 82.9 | 67% | 0.674 | 45% | 0.445 | S | S | * | . | trans | -67.2 | 121.9 | 178.3 | -75.1 | -34 | 0 | 0 | 0 | 110.1 | A199 | N111-A199 HydrophobicContact CB-CB 3.89Å; N111-A199 WeakPolarHBondContact O-CB 3.28Å; N111-A199 PolarHBondContact O-N 3.35Å | ||
| 112 | V | 71 | Confident | 66.6 | Low | 47 Ų | 47 | 90.4 Ų | 90.4 | 29% | 0.285 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 133.3 | 178.1 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | M105 I110 V196 | M105-V112 HydrophobicContact CB-CG2 3.79Å; M105-V112 HydrophobicContact CG-CG2 4.28Å; I110-V112 PolarHBondContact O-N 2.94Å; V112-V196 HydrophobicContact CG1-CG1 3.16Å |
| 113 | V | 61.2 | Low | 63.8 | Low | 72 Ų | 72 | 93.7 Ų | 93.7 | 44% | 0.436 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 103.4 | 176.4 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | E115 N197 A199 | V113-E115 VanDerWaalsContact C-N 3.32Å; V113-E115 HydrophobicContact CG1-CG 4.27Å; V113-E115 PolarHBondContact O-N 3.15Å; V113-E115 VanDerWaalsContact O-N 3.11Å; V113-N197 PolarHBondContact N-O 3.48Å; V113-N197 PolarHBondContact O-N 3.39Å; V113-N197 VanDerWaalsContact O-N 3.14Å; V113-A199 HydrophobicContact CG2-CB 4.28Å |
| 114 | E | 57.8 | Low | 61 | Low | 132 Ų | 132 | 97.5 Ų | 97.5 | 62% | 0.617 | 53% | 0.526 | S | S | * | . | trans | -83.3 | 74.4 | 176.7 | -169.7 | 165.4 | -164.5 | 0 | 0 | 110.3 | V196 | E114-V196 HydrophobicContact CB-CG1 4.36Å; E114-V196 HydrophobicContact CG-CG2 4.21Å | ||
| 115 | E | 50.2 | Low | 58.3 | Low | 125 Ų | 125 | 102.6 Ų | 102.6 | 58% | 0.584 | 56% | 0.561 | S | S | * | * | trans | -90.9 | 120.4 | 157.1 | -78.3 | -167 | 137.7 | 0 | 0 | 108.5 | V113 V117 | V113-E115 VanDerWaalsContact C-N 3.32Å; V113-E115 HydrophobicContact CG1-CG 4.27Å; V113-E115 PolarHBondContact O-N 3.15Å; V113-E115 VanDerWaalsContact O-N 3.11Å; E115-V117 VanDerWaalsContact C-N 3.31Å; E115-V117 HydrophobicContact CB-CG2 4.36Å; E115-V117 PolarHBondContact O-N 3.41Å | ||
| 116 | P | 45.4 | Very low | 55.5 | Low | 104 Ų | 104 | 108.7 Ų | 108.7 | 68% | 0.675 | 60% | 0.598 | S | S | * | * | trans | -73.9 | 83.3 | 178.9 | 29.7 | -34.7 | 0 | 0 | 0 | 110.8 | V118 | P116-V118 PolarHBondContact O-N 3.5Š| ||
| 117 | V | 51.9 | Low | 53.2 | Low | 64 Ų | 64 | 111.5 Ų | 111.5 | 39% | 0.388 | 61% | 0.611 | S | S | . | * | trans | -78.6 | 87.4 | 177.5 | -174.6 | 0 | 0 | 0 | 0 | 109.7 | E115 I119 | E115-V117 VanDerWaalsContact C-N 3.31Å; E115-V117 HydrophobicContact CB-CG2 4.36Å; E115-V117 PolarHBondContact O-N 3.41Å; V117-I119 HydrophobicContact CG1-CG1 4.05Å; V117-I119 PolarHBondContact O-N 3.49Å; V117-I119 VanDerWaalsContact O-N 3.13Å | ||
| 118 | V | 47.3 | Very low | 50.9 | Low | 94 Ų | 94 | 118.2 Ų | 118.2 | 57% | 0.57 | 62% | 0.623 | S | S | * | * | trans | -69.5 | 103.6 | 171.6 | -178.8 | 0 | 0 | 0 | 0 | 109.2 | P116 T120 | P116-V118 PolarHBondContact O-N 3.5Å; V118-T120 VanDerWaalsContact C-N 3.34Å; V118-T120 PolarHBondContact O-N 3.02Å | ||
| 119 | I | 47.5 | Very low | 48.4 | Very low | 94 Ų | 94 | 124.2 Ų | 124.2 | 48% | 0.482 | 65% | 0.649 | S | S | . | * | trans | -83.5 | 76.2 | -179 | -50.2 | -179.4 | 0 | 0 | 0 | 110.2 | V117 R121 Y195 | V117-I119 HydrophobicContact CG1-CG1 4.05Å; V117-I119 PolarHBondContact O-N 3.49Å; V117-I119 VanDerWaalsContact O-N 3.13Å; I119-R121 PolarHBondContact O-N 3.06Å; I119-Y195 HydrophobicContact CD1-CD2 3.85Å; I119-Y195 HydrophobicContact CD1-CE2 3.86Å; I119-Y195 HydrophobicContact CG1-CD2 4.28Å; I119-Y195 HydrophobicContact CG1-CE2 4.48Å | ||
| 120 | T | 40.9 | Very low | 46.2 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 64% | 0.638 | 66% | 0.657 | S | S | * | * | trans | -64.1 | 124.5 | 164.9 | -32.2 | 0 | 0 | 0 | 0 | 108.6 | V118 N122 | V118-T120 VanDerWaalsContact C-N 3.34Å; V118-T120 PolarHBondContact O-N 3.02Å; T120-N122 PolarHBondContact O-N 3.26Å | ||
| 121 | R | 43.8 | Very low | 43.5 | Very low | 225 Ų | 225 | 132.2 Ų | 132.2 | 85% | 0.849 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -62.1 | 5.3 | -168.7 | -97.6 | 178.3 | 167.9 | 171.6 | -6.1 | 117 | I119 | I119-R121 PolarHBondContact O-N 3.06Š|
| 122 | N | 42.9 | Very low | 41.6 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 85% | 0.85 | 70% | 0.704 | S | S | * | * | trans | -118.5 | 56.4 | -175.2 | -79.2 | 48.2 | 0 | 0 | 0 | 113.6 | T120 | T120-N122 PolarHBondContact O-N 3.26Š| ||
| 123 | S | 33.3 | Very low | 39.6 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -138.9 | 116.8 | 161.9 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 124 | H | 30.8 | Very low | 38.2 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 82% | 0.819 | 74% | 0.744 | S | S | * | * | trans | -71.1 | 141.4 | 165.3 | -77.2 | -84.7 | 0 | 0 | 0 | 109.3 | T126 | H124-T126 VanDerWaalsContact C-N 3.33Å; H124-T126 PolarHBondContact O-N 2.91Å | ||
| 125 | P | 35.8 | Very low | 36.9 | Very low | 124 Ų | 124 | 146.4 Ų | 146.4 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | trans | -75.5 | 84.9 | 175.2 | 31.5 | -34.4 | 0 | 0 | 0 | 110.3 | E127 | P125-E127 PolarHBondContact O-N 3.43Š| ||
| 126 | T | 29.4 | Very low | 35.9 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -63.1 | 127.8 | 165.7 | -49.2 | 0 | 0 | 0 | 0 | 108.7 | H124 R128 | H124-T126 VanDerWaalsContact C-N 3.33Å; H124-T126 PolarHBondContact O-N 2.91Å; T126-R128 PolarHBondContact O-N 3.15Å | ||
| 127 | E | 37.7 | Very low | 35.4 | Very low | 190 Ų | 190 | 145.8 Ų | 145.8 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | -53.2 | 128.1 | -175.7 | -66 | 178.9 | 93.3 | 0 | 0 | 112.2 | P125 | P125-E127 PolarHBondContact O-N 3.43Š| ||
| 128 | R | 34 | Very low | 34.4 | Very low | 236 Ų | 236 | 150.9 Ų | 150.9 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -129 | 73.9 | 169.8 | -130.5 | 177.6 | -176.7 | -178.3 | 0.6 | 112.7 | T126 | T126-R128 PolarHBondContact O-N 3.15Š| ||
| 129 | E | 27.2 | Very low | 33.5 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 84% | 0.836 | 81% | 0.806 | S | S | * | * | trans | 52.7 | 107.1 | 138 | -155.9 | 171.1 | 178.2 | 0 | 0 | 117.9 | S131 | E129-S131 PolarHBondContact O-N 3.36Š| ||
| 130 | L | 31.6 | Very low | 33 | Very low | 171 Ų | 171 | 155.2 Ų | 155.2 | 90% | 0.895 | 83% | 0.825 | S | S | * | * | trans | -58.5 | 124.7 | 175.5 | -69.4 | 156.5 | 0 | 0 | 0 | 112 | R132 | L130-R132 PolarHBondContact O-N 3.36Š| ||
| 131 | S | 24.4 | Very low | 32.4 | Very low | 122 Ų | 122 | 154.1 Ų | 154.1 | 85% | 0.853 | 83% | 0.834 | S | S | * | * | trans | -65.7 | 99.2 | 176.6 | 40.6 | 0 | 0 | 0 | 0 | 112 | E129 | E129-S131 PolarHBondContact O-N 3.36Š| ||
| 132 | R | 30.6 | Very low | 31.9 | Very low | 240 Ų | 240 | 153.1 Ų | 153.1 | 91% | 0.906 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 130.4 | -178.4 | -163.5 | 174.1 | -171.7 | 172.1 | 2.4 | 111.9 | L130 | L130-R132 PolarHBondContact O-N 3.36Š|
| 133 | T | 28.6 | Very low | 31.4 | Very low | 117 Ų | 117 | 151.9 Ų | 151.9 | 72% | 0.718 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 145.4 | 179.6 | 46.7 | 0 | 0 | 0 | 0 | 113 | ||
| 134 | P | 31.6 | Very low | 31.4 | Very low | 129 Ų | 129 | 153 Ų | 153 | 84% | 0.838 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 120.7 | 171.6 | 31.5 | -31.9 | 0 | 0 | 0 | 110.8 | ||
| 135 | Q | 30.7 | Very low | 32.1 | Very low | 188 Ų | 188 | 150.8 Ų | 150.8 | 88% | 0.879 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 151.9 | 168 | -74.2 | -170.9 | -51.4 | 0 | 0 | 111.5 | ||
| 136 | A | 29.2 | Very low | 31.7 | Very low | 92 Ų | 92 | 148.2 Ų | 148.2 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 154.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 137 | P | 35.2 | Very low | 31.6 | Very low | 124 Ų | 124 | 151.8 Ų | 151.8 | 81% | 0.805 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 131.2 | 179.3 | 32.7 | -33.5 | 0 | 0 | 0 | 112.5 | ||
| 138 | N | 29.8 | Very low | 32 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 91% | 0.914 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 155.2 | 162.7 | -84.6 | -9.6 | 0 | 0 | 0 | 110.5 | ||
| 139 | S | 29.3 | Very low | 31.8 | Very low | 112 Ų | 112 | 144.4 Ų | 144.4 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | trans | -115.3 | 157 | -161.5 | 58.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 140 | L | 37.5 | Very low | 31.8 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 88% | 0.88 | 82% | 0.823 | S | S | * | * | trans | 60.5 | 125.7 | 152 | -127.4 | 75.9 | 0 | 0 | 0 | 120.3 | ||||
| 141 | G | 27.1 | Very low | 31.8 | Very low | 81 Ų | 81 | 140.9 Ų | 140.9 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | -167.7 | 104.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 142 | Y | 34.3 | Very low | 32.1 | Very low | 203 Ų | 203 | 143.4 Ų | 143.4 | 80% | 0.796 | 82% | 0.82 | S | S | * | * | trans | -88.6 | 140.6 | -175 | -121 | -97.7 | 0 | 0 | 0 | 111.5 | ||||
| 143 | T | 30.9 | Very low | 31.9 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | 179.4 | 149.1 | 118.3 | 25.3 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 144 | V | 34.6 | Very low | 32.2 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 76% | 0.764 | 82% | 0.818 | S | S | * | * | trans | -132.6 | 151.4 | 163.6 | -147.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 145 | P | 45.2 | Very low | 32.6 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | -150.5 | 157.3 | 96.2 | 37.6 | -20.6 | 0 | 0 | 0 | 115.3 | |||||
| 146 | G | 26.2 | Very low | 32.5 | Very low | 69 Ų | 69 | 136 Ų | 136 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | 157.3 | 99.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 147 | F | 28.1 | Very low | 32.7 | Very low | 204 Ų | 204 | 139.5 Ų | 139.5 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -96.5 | -176.3 | 166.1 | -69.3 | -83.2 | 0 | 0 | 0 | 109.8 | ||||
| 148 | P | 45.8 | Very low | 32.4 | Very low | 102 Ų | 102 | 140 Ų | 140 | 66% | 0.662 | 81% | 0.811 | S | S | * | * | cis | -137.9 | 175.2 | -2.5 | 20.9 | 5.4 | 0 | 0 | 0 | 117.2 | ||||
| 149 | N | 30.6 | Very low | 32.5 | Very low | 168 Ų | 168 | 139 Ų | 139 | 90% | 0.898 | 81% | 0.806 | S | S | * | * | trans | 64.1 | 145.5 | 144.8 | -66.6 | -3.5 | 0 | 0 | 0 | 123.2 | ||||
| 150 | G | 27.3 | Very low | 32.5 | Very low | 78 Ų | 78 | 138.8 Ų | 138.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 156.2 | 90.6 | 160 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 151 | F | 31.3 | Very low | 32.2 | Very low | 199 Ų | 199 | 141.4 Ų | 141.4 | 87% | 0.873 | 80% | 0.803 | S | S | * | * | trans | -94.2 | 173.8 | 168.9 | -103.3 | -88.1 | 0 | 0 | 0 | 111.8 | ||||
| 152 | H | 31.1 | Very low | 32.1 | Very low | 175 Ų | 175 | 143.3 Ų | 143.3 | 81% | 0.81 | 80% | 0.803 | S | S | * | * | trans | 102.6 | 147.4 | 169 | -61.1 | -63.4 | 0 | 0 | 0 | 115.6 | ||||
| 153 | S | 25 | Very low | 31.9 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | cis | 178.6 | 148.6 | -21.9 | -91.7 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 154 | F | 34.8 | Very low | 31.9 | Very low | 204 Ų | 204 | 138.5 Ų | 138.5 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | trans | -67.2 | 161.3 | 174.2 | -55 | -87.7 | 0 | 0 | 0 | 111.7 | ||||
| 155 | P | 40.9 | Very low | 31.9 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | -140.4 | -170.6 | 92.3 | 38.8 | -24.1 | 0 | 0 | 0 | 114.9 | |||||
| 156 | A | 28.8 | Very low | 31.9 | Very low | 87 Ų | 87 | 143 Ų | 143 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | trans | -80.3 | -169 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 157 | E | 32.5 | Very low | 32.9 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | cis | -169.2 | 164.2 | 26.4 | -163.1 | 168.9 | -133.3 | 0 | 0 | 112.2 | ||||
| 158 | T | 28.9 | Very low | 32.9 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 151.8 | 161.7 | 136.6 | 48.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 159 | L | 32.8 | Very low | 32.3 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 80% | 0.796 | 81% | 0.808 | S | S | * | * | trans | -92.4 | 165.2 | -158 | -71.1 | 65.2 | 0 | 0 | 0 | 115 | ||||
| 160 | S | 28.4 | Very low | 32.1 | Very low | 106 Ų | 106 | 139.6 Ų | 139.6 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | -165.6 | 130.3 | 123.7 | -89.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 161 | Y | 31.5 | Very low | 32.4 | Very low | 224 Ų | 224 | 140.8 Ų | 140.8 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | 62.2 | 135 | 161.7 | -69 | -73.6 | 0 | 0 | 0 | 123.4 | ||||
| 162 | C | 25.8 | Very low | 32.5 | Very low | 121 Ų | 121 | 138.5 Ų | 138.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -125.6 | 158.5 | 169.7 | -61 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 163 | T | 28.8 | Very low | 32.8 | Very low | 149 Ų | 149 | 139.1 Ų | 139.1 | 91% | 0.914 | 79% | 0.79 | S | S | * | * | trans | -167.5 | 157 | 145 | -77 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 164 | A | 30.8 | Very low | 33 | Very low | 87 Ų | 87 | 141.8 Ų | 141.8 | 72% | 0.719 | 79% | 0.792 | S | S | * | * | trans | -134.9 | 152.7 | -168 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 165 | R | 35.5 | Very low | 32.8 | Very low | 226 Ų | 226 | 137.2 Ų | 137.2 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | 35 | 138.8 | 146.3 | -79.9 | -174.5 | 173.8 | -172.5 | -1.2 | 120.8 | ||||
| 166 | P | 44.3 | Very low | 32.7 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | -139.4 | 166.1 | 89.2 | 39.7 | -28.5 | 0 | 0 | 0 | 116.2 | |||||
| 167 | P | 47.9 | Very low | 33 | Very low | 104 Ų | 104 | 139 Ų | 139 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | -112.5 | 157.6 | 173.5 | 40 | -31.2 | 0 | 0 | 0 | 114.9 | ||||
| 168 | S | 28.7 | Very low | 33.2 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -161.9 | 114 | 165.9 | -76.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 169 | V | 33.7 | Very low | 33.4 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | 77.8 | 105.2 | 73.9 | -60.8 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 170 | S | 26.4 | Very low | 33.5 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 169.5 | 121 | 133.6 | -165 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 171 | S | 31.7 | Very low | 33.7 | Very low | 103 Ų | 103 | 136.9 Ų | 136.9 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | cis | 99.4 | 146.8 | 34.4 | -165.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 172 | L | 34.3 | Very low | 34.2 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | 81.8 | 144.2 | -171.4 | -51.6 | 172.6 | 0 | 0 | 0 | 116.5 | ||||
| 173 | R | 37.3 | Very low | 34.6 | Very low | 189 Ų | 189 | 135.6 Ų | 135.6 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | cis | 178.8 | 139.3 | -41.7 | -116.8 | -177.9 | -175.2 | -134.2 | 10.2 | 108.5 | ||||
| 174 | H | 30.3 | Very low | 34.8 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | 64.5 | 159.5 | 162.3 | -57.3 | -48 | 0 | 0 | 0 | 116.3 | ||||
| 175 | S | 29.3 | Very low | 35.4 | Very low | 108 Ų | 108 | 136.6 Ų | 136.6 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | cis | -154.4 | 164.9 | -25.5 | -175.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 176 | S | 39.3 | Very low | 35.6 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -78.9 | 118.5 | 167.5 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 177 | V | 35.2 | Very low | 35.5 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | trans | -154.8 | 152.8 | 148.2 | -76.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 178 | G | 37.1 | Very low | 35.4 | Very low | 66 Ų | 66 | 131.3 Ų | 131.3 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | cis | 110.3 | 65.4 | 2.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 179 | E | 32.8 | Very low | 36 | Very low | 202 Ų | 202 | 132.8 Ų | 132.8 | 94% | 0.944 | 78% | 0.781 | S | S | * | * | trans | -172.5 | 172.5 | 153.2 | -110.2 | 170.6 | 139.6 | 0 | 0 | 111.6 | ||||
| 180 | D | 35.3 | Very low | 36.7 | Very low | 131 Ų | 131 | 134.8 Ų | 134.8 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | -54.3 | 149.8 | -168.2 | -106.3 | -104.1 | 0 | 0 | 0 | 117.4 | ||||
| 181 | S | 31.9 | Very low | 37.9 | Very low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | trans | -146.8 | 88.5 | 150 | -78.5 | 0 | 0 | 0 | 0 | 109.5 | H183 | S181-H183 PolarHBondContact O-N 3.14Š| ||
| 182 | T | 41.7 | Very low | 39.2 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -60.6 | 96.9 | 170.7 | 27.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 183 | H | 35.2 | Very low | 41.2 | Very low | 186 Ų | 186 | 128.2 Ų | 128.2 | 86% | 0.861 | 73% | 0.729 | S | S | * | * | trans | -95.8 | 137.5 | 171.7 | -139.3 | -84.5 | 0 | 0 | 0 | 111 | S181 | S181-H183 PolarHBondContact O-N 3.14Š| ||
| 184 | A | 32.6 | Very low | 43.4 | Very low | 80 Ų | 80 | 121.7 Ų | 121.7 | 66% | 0.661 | 71% | 0.71 | S | S | * | * | trans | -79.4 | 152.2 | -159.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | I186 | A184-I186 PolarHBondContact O-N 2.8Å; A184-I186 VanDerWaalsContact O-N 3.14Å | ||
| 185 | L | 42.4 | Very low | 46 | Very low | 178 Ų | 178 | 115.8 Ų | 115.8 | 93% | 0.932 | 68% | 0.682 | S | S | * | * | trans | -14.6 | 97.9 | 158.4 | -62.8 | 166.3 | 0 | 0 | 0 | 115.9 | ||||
| 186 | I | 39.3 | Very low | 48.7 | Very low | 161 Ų | 161 | 110.7 Ų | 110.7 | 83% | 0.826 | 65% | 0.646 | S | S | * | * | trans | -139.1 | 112.8 | 147.9 | -55.3 | -179.5 | 0 | 0 | 0 | 107.2 | A184 | A184-I186 PolarHBondContact O-N 2.8Å; A184-I186 VanDerWaalsContact O-N 3.14Å | ||
| 187 | G | 43.8 | Very low | 50.9 | Low | 68 Ų | 68 | 107.4 Ų | 107.4 | 70% | 0.701 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 139.8 | 162.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 188 | P | 45.2 | Very low | 53 | Low | 116 Ų | 116 | 101.6 Ų | 101.6 | 75% | 0.753 | 59% | 0.585 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 146.4 | 136.4 | 34.4 | -27.7 | 0 | 0 | 0 | 109.1 | ||
| 189 | D | 41.4 | Very low | 54.4 | Low | 140 Ų | 140 | 100.6 Ų | 100.6 | 75% | 0.749 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 143.4 | 161.8 | -85 | -84.4 | 0 | 0 | 0 | 109.9 | Q191 | D189-Q191 PolarHBondContact O-N 2.94Š|
| 190 | E | 48.1 | Very low | 55.1 | Low | 185 Ų | 185 | 96.4 Ų | 96.4 | 86% | 0.864 | 55% | 0.554 | S | S | * | * | trans | -74.6 | 73.1 | 171.1 | -72.6 | -168.9 | 94.9 | 0 | 0 | 109.8 | S192 | E190-S192 WeakPolarHBondContact O-CB 3.5Å; E190-S192 PolarHBondContact O-N 2.8Å; E190-S192 PolarHBondContact O-OG 3.35Å | ||
| 191 | Q | 51.6 | Low | 55.5 | Low | 100 Ų | 100 | 94 Ų | 94 | 47% | 0.467 | 56% | 0.561 | S | S | . | * | trans | -66.7 | 71.3 | 178.2 | -142 | 73.9 | 71.3 | 0 | 0 | 110.2 | D68 S69 D189 H193 | D68-Q191 PolarHBondContact OD1-NE2 3.4Å; D68-Q191 WeakPolarHBondContact OD2-CG 3.3Å; S69-Q191 PolarHBondContact OG-NE2 3.15Å; S69-Q191 VanDerWaalsContact OG-NE2 3.14Å; D189-Q191 PolarHBondContact O-N 2.94Å; Q191-H193 PolarHBondContact O-N 3.33Å; Q191-H193 VanDerWaalsContact O-N 3.07Å | ||
| 192 | S | 58.8 | Low | 55.9 | Low | 63 Ų | 63 | 95.8 Ų | 95.8 | 44% | 0.441 | 56% | 0.561 | S | S | . | * | trans | -88.3 | 77 | -163.4 | 36.5 | 0 | 0 | 0 | 0 | 110.5 | E190 T194 | E190-S192 WeakPolarHBondContact O-CB 3.5Å; E190-S192 PolarHBondContact O-N 2.8Å; E190-S192 PolarHBondContact O-OG 3.35Å; S192-T194 PolarHBondContact O-N 3.33Å; S192-T194 PolarHBondContact O-OG1 3.34Å; S192-T194 VanDerWaalsContact O-OG1 3.08Å | ||
| 193 | H | 76.4 | Confident | 55.7 | Low | 67 Ų | 67 | 98.6 Ų | 98.6 | 31% | 0.31 | 57% | 0.565 | S | S | . | * | trans | -49.4 | 102.8 | 172.9 | -60.2 | -62.7 | 0 | 0 | 0 | 110.9 | D68 Q191 Y195 | D68-H193 WeakPolarHBondContact CB-ND1 3.49Å; D68-H193 IonicContact OD2-CE1 3.43Å; D68-H193 PolarHBondContact OD2-CE1 3.32Å; D68-H193 IonicContact OD2-ND1 3.35Å; Q191-H193 PolarHBondContact O-N 3.33Å; Q191-H193 VanDerWaalsContact O-N 3.07Å; H193-Y195 HydrophobicContact CB-CD2 4.33Å; H193-Y195 HydrophobicContact CB-CE2 3.75Å; H193-Y195 WeakPolarHBondContact O-CD2 3.45Å; H193-Y195 PolarHBondContact O-N 3.44Å | ||
| 194 | T | 83.8 | Confident | 55.7 | Low | 52 Ų | 52 | 98 Ų | 98 | 32% | 0.319 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88 | 111.8 | -174.2 | -68.1 | 0 | 0 | 0 | 0 | 108.4 | G66 Y67 S192 | G66-T194 CarbonylContact C-O 3.47Å; G66-T194 WeakPolarHBondContact CA-O 3.5Å; Y67-T194 PolarHBondContact N-O 3.36Å; Y67-T194 PolarHBondContact O-N 2.94Å; S192-T194 PolarHBondContact O-N 3.33Å; S192-T194 PolarHBondContact O-OG1 3.34Å; S192-T194 VanDerWaalsContact O-OG1 3.08Å |
| 195 | Y | 85.6 | Confident | 56.2 | Low | 33 Ų | 33 | 103.1 Ų | 103.1 | 13% | 0.129 | 58% | 0.578 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.3 | 142 | 178.8 | -74.4 | -82.4 | 0 | 0 | 0 | 111.7 | R64 S73 I119 H193 | R64-Y195 HydrophobicContact CG-CD1 4.19Å; S73-Y195 WeakPolarHBondContact OG-CE1 3.42Å; S73-Y195 PolarHBondContact OG-OH 3.48Å; I119-Y195 HydrophobicContact CD1-CD2 3.85Å; I119-Y195 HydrophobicContact CD1-CE2 3.86Å; I119-Y195 HydrophobicContact CG1-CD2 4.28Å; I119-Y195 HydrophobicContact CG1-CE2 4.48Å; H193-Y195 HydrophobicContact CB-CD2 4.33Å; H193-Y195 HydrophobicContact CB-CE2 3.75Å; H193-Y195 WeakPolarHBondContact O-CD2 3.45Å; H193-Y195 PolarHBondContact O-N 3.44Å |
| 196 | V | 85 | Confident | 55.7 | Low | 1 Ų | 1 | 105.1 Ų | 105.1 | 1% | 0.006 | 57% | 0.573 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.7 | 129.8 | 177.7 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | R64 Y65 F98 V112 E114 | R64-V196 CarbonylContact C-O 3.51Å; R64-V196 WeakPolarHBondContact CA-O 3.38Å; R64-V196 WeakPolarHBondContact CB-O 3.33Å; Y65-V196 HydrophobicContact CE2-CB 4.28Å; Y65-V196 HydrophobicContact CE2-CG1 4.48Å; Y65-V196 PolarHBondContact N-O 2.67Å; Y65-V196 PolarHBondContact O-N 3.09Å; F98-V196 HydrophobicContact CE2-CB 4.41Å; F98-V196 HydrophobicContact CE2-CG2 3.84Å; F98-V196 HydrophobicContact CZ-CG2 3.68Å; V112-V196 HydrophobicContact CG1-CG1 3.16Å; E114-V196 HydrophobicContact CB-CG1 4.36Å; E114-V196 HydrophobicContact CG-CG2 4.21Å |
| 197 | N | 85.9 | Confident | 55.6 | Low | 44 Ų | 44 | 100.9 Ų | 100.9 | 24% | 0.235 | 57% | 0.569 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.3 | 139.8 | -173.9 | -63.1 | -59.2 | 0 | 0 | 0 | 111.2 | V113 | V113-N197 PolarHBondContact N-O 3.48Å; V113-N197 PolarHBondContact O-N 3.39Å; V113-N197 VanDerWaalsContact O-N 3.14Å |
| 198 | T | 80 | Confident | 55.1 | Low | 14 Ų | 14 | 108.7 Ų | 108.7 | 9% | 0.086 | 58% | 0.577 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.6 | 135.8 | 166.4 | 53.8 | 0 | 0 | 0 | 0 | 109.3 | L62 R63 Y65 M105 N200 | L62-T198 PolarHBondContact O-OG1 2.66Å; R63-T198 WeakPolarHBondContact CA-OG1 3.39Å; R63-T198 PolarHBondContact O-N 3.04Å; R63-T198 PolarHBondContact O-OG1 3Å; R63-T198 VanDerWaalsContact O-OG1 3.08Å; Y65-T198 HydrophobicContact CD1-CG2 4.19Å; Y65-T198 HydrophobicContact CE1-CG2 3.93Å; M105-T198 HydrophobicContact CE-CG2 4.1Å; M105-T198 HydrophobicContact SD-CG2 4.1Å; T198-N200 PolarHBondContact O-N 2.97Å |
| 199 | A | 65 | Low | 54.6 | Low | 45 Ų | 45 | 112.1 Ų | 112.1 | 37% | 0.372 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -73.2 | 119.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | N111 V113 G201 | N111-A199 HydrophobicContact CB-CB 3.89Å; N111-A199 WeakPolarHBondContact O-CB 3.28Å; N111-A199 PolarHBondContact O-N 3.35Å; V113-A199 HydrophobicContact CG2-CB 4.28Å; A199-G201 PolarHBondContact O-N 3.28Å |
| 200 | N | 47.7 | Very low | 54.1 | Low | 114 Ų | 114 | 110.3 Ų | 110.3 | 61% | 0.61 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 135.1 | 165.3 | -63.2 | -51.3 | 0 | 0 | 0 | 108.5 | T198 D202 | T198-N200 PolarHBondContact O-N 2.97Å; N200-D202 PolarHBondContact O-N 3.23Å |
| 201 | G | 44.1 | Very low | 53.2 | Low | 81 Ų | 81 | 109.7 Ų | 109.7 | 84% | 0.835 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -67.5 | 14.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | A199 | A199-G201 PolarHBondContact O-N 3.28Š|
| 202 | D | 40.2 | Very low | 52.2 | Low | 153 Ų | 153 | 112.9 Ų | 112.9 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | -121 | 53.2 | -175.3 | -68.7 | -69.2 | 0 | 0 | 0 | 110.9 | N200 | N200-D202 PolarHBondContact O-N 3.23Š| ||
| 203 | Q | 38.2 | Very low | 50.7 | Low | 190 Ų | 190 | 116.5 Ų | 116.5 | 89% | 0.888 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -147 | 144.3 | 163.1 | -147.3 | 149.4 | 117.2 | 0 | 0 | 113 | ||
| 204 | E | 35.2 | Very low | 48.6 | Very low | 173 Ų | 173 | 120.7 Ų | 120.7 | 81% | 0.808 | 64% | 0.637 | S | S | * | * | trans | -66.7 | 150.5 | -164.1 | -89.6 | 173 | 66.8 | 0 | 0 | 116.2 | R206 | E204-R206 VanDerWaalsContact C-N 3.3Å; E204-R206 PolarHBondContact O-N 3.04Å | ||
| 205 | L | 43.3 | Very low | 46.3 | Very low | 187 Ų | 187 | 123.4 Ų | 123.4 | 98% | 0.979 | 66% | 0.656 | S | S | * | * | trans | -64.4 | 81.9 | 164.4 | -75.5 | 163.8 | 0 | 0 | 0 | 111.7 | ||||
| 206 | R | 31.6 | Very low | 43.8 | Very low | 220 Ų | 220 | 129.7 Ų | 129.7 | 83% | 0.83 | 69% | 0.686 | S | S | * | * | trans | -122.6 | 77.6 | 166 | -174.6 | 172.4 | -78.3 | -97 | 1.6 | 110.5 | E204 | E204-R206 VanDerWaalsContact C-N 3.3Å; E204-R206 PolarHBondContact O-N 3.04Å | ||
| 207 | G | 36.9 | Very low | 41.2 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 72% | 0.723 | S | S | * | * | trans | -66.5 | 160.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 208 | R | 33 | Very low | 38.6 | Very low | 233 Ų | 233 | 141 Ų | 141 | 88% | 0.879 | 75% | 0.745 | S | S | * | * | trans | -131 | 132 | 157.7 | -74.9 | -170.3 | 168.7 | -144.6 | -3 | 108.6 | C210 | R208-C210 PolarHBondContact O-N 3.43Š| ||
| 209 | H | 33.9 | Very low | 36.4 | Very low | 188 Ų | 188 | 145.5 Ų | 145.5 | 87% | 0.87 | 78% | 0.775 | S | S | * | * | trans | -80.8 | 107.8 | 173.3 | -63.6 | -89.7 | 0 | 0 | 0 | 109.2 | M211 | H209-M211 VanDerWaalsContact C-N 3.33Å; H209-M211 PolarHBondContact O-N 3.39Å | ||
| 210 | C | 31.6 | Very low | 35.1 | Very low | 102 Ų | 102 | 149 Ų | 149 | 69% | 0.689 | 79% | 0.794 | S | S | * | * | trans | -81.3 | 78.4 | 175.6 | -61.6 | 0 | 0 | 0 | 0 | 110.7 | R208 H212 | R208-C210 PolarHBondContact O-N 3.43Å; C210-H212 PolarHBondContact O-N 3.41Å | ||
| 211 | M | 30 | Very low | 34.6 | Very low | 172 Ų | 172 | 153.3 Ų | 153.3 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | -71.5 | 92.4 | 168.2 | -73.7 | -64.7 | -64.1 | 0 | 0 | 109.8 | H209 | H209-M211 VanDerWaalsContact C-N 3.33Å; H209-M211 PolarHBondContact O-N 3.39Å | ||
| 212 | H | 30.9 | Very low | 34.2 | Very low | 166 Ų | 166 | 155.4 Ų | 155.4 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -87.9 | 112.9 | 169 | -79.7 | -83.3 | 0 | 0 | 0 | 110.6 | C210 L214 | C210-H212 PolarHBondContact O-N 3.41Å; H212-L214 PolarHBondContact O-N 3.31Å | ||
| 213 | T | 27.4 | Very low | 33.6 | Very low | 140 Ų | 140 | 157.3 Ų | 157.3 | 86% | 0.859 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 119.4 | 171.9 | -42.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 214 | L | 32.3 | Very low | 33.6 | Very low | 155 Ų | 155 | 158.3 Ų | 158.3 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 147.4 | 169.8 | -82.9 | 169 | 0 | 0 | 0 | 111 | H212 | H212-L214 PolarHBondContact O-N 3.31Š|
| 215 | P | 34.8 | Very low | 33.3 | Very low | 109 Ų | 109 | 157.4 Ų | 157.4 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 147.9 | 176.7 | -22.4 | 34.3 | 0 | 0 | 0 | 113.6 | V217 | P215-V217 PolarHBondContact O-N 2.87Š|
| 216 | E | 33.6 | Very low | 32.9 | Very low | 165 Ų | 165 | 155.7 Ų | 155.7 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | trans | -73.1 | 115.6 | 176.9 | -171.2 | -174.3 | 147.3 | 0 | 0 | 111.2 | H218 | E216-H218 IonicContact OE1-CE1 3.13Å; E216-H218 PolarHBondContact OE1-CE1 3.47Å; E216-H218 IonicContact OE1-ND1 3.11Å; E216-H218 PolarHBondContact OE1-ND1 3.11Å; E216-H218 VanDerWaalsContact OE1-ND1 3.11Å | ||
| 217 | V | 30.2 | Very low | 32.6 | Very low | 127 Ų | 127 | 151 Ų | 151 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -123.6 | 109.8 | 171.4 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | P215 P219 | P215-V217 PolarHBondContact O-N 2.87Å; V217-P219 WeakPolarHBondContact O-CD 3.46Å | ||
| 218 | H | 31.3 | Very low | 32.3 | Very low | 154 Ų | 154 | 153.7 Ų | 153.7 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 120.4 | 175 | -97.5 | 82.4 | 0 | 0 | 0 | 111 | E216 | E216-H218 IonicContact OE1-CE1 3.13Å; E216-H218 PolarHBondContact OE1-CE1 3.47Å; E216-H218 IonicContact OE1-ND1 3.11Å; E216-H218 PolarHBondContact OE1-ND1 3.11Å; E216-H218 VanDerWaalsContact OE1-ND1 3.11Å |
| 219 | P | 33.8 | Very low | 32.4 | Very low | 110 Ų | 110 | 147 Ų | 147 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 141.5 | 167 | 33.9 | -32 | 0 | 0 | 0 | 111.1 | V217 | V217-P219 WeakPolarHBondContact O-CD 3.46Š|
| 220 | P | 36.2 | Very low | 32.8 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 152.4 | 170.4 | 31.3 | -34.3 | 0 | 0 | 0 | 111.8 | P222 | P220-P222 WeakPolarHBondContact O-CD 3.43Š|
| 221 | F | 37.5 | Very low | 33.4 | Very low | 205 Ų | 205 | 147.5 Ų | 147.5 | 90% | 0.899 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 128.7 | -178.6 | -62.4 | -89 | 0 | 0 | 0 | 113.3 | ||
| 222 | P | 36.3 | Very low | 34.2 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -86 | 144.7 | 163.5 | 33.6 | -31.9 | 0 | 0 | 0 | 111.4 | P220 | P220-P222 WeakPolarHBondContact O-CD 3.43Š|
| 223 | H | 28.5 | Very low | 35.2 | Very low | 193 Ų | 193 | 144 Ų | 144 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 146.8 | 175.9 | -84.3 | -101.6 | 0 | 0 | 0 | 113 | N225 | H223-N225 PolarHBondContact O-N 3.13Š|
| 224 | R | 38.3 | Very low | 36.3 | Very low | 212 Ų | 212 | 141.3 Ų | 141.3 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -52 | 118.1 | 170.8 | 175.6 | -166.8 | -173.6 | -168.9 | 4.9 | 112.5 | ||
| 225 | N | 27.6 | Very low | 37.8 | Very low | 154 Ų | 154 | 138.2 Ų | 138.2 | 82% | 0.824 | 74% | 0.736 | S | S | * | * | trans | -161.6 | 157 | 142.9 | -96.2 | -31 | 0 | 0 | 0 | 110.5 | H223 | H223-N225 PolarHBondContact O-N 3.13Š| ||
| 226 | H | 34.5 | Very low | 38.9 | Very low | 151 Ų | 151 | 137 Ų | 137 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | trans | -105.6 | 121.1 | -164.5 | -61.9 | -90.7 | 0 | 0 | 0 | 113.5 | ||||
| 227 | S | 26.8 | Very low | 40.7 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | trans | -144.6 | 103.2 | 161.9 | -70.3 | 0 | 0 | 0 | 0 | 108.7 | S229 | S227-S229 PolarHBondContact O-N 2.9Š| ||
| 228 | C | 29 | Very low | 42.4 | Very low | 127 Ų | 127 | 132 Ų | 132 | 86% | 0.858 | 69% | 0.693 | S | S | * | * | trans | -87.2 | 102.3 | -174.9 | -60 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 229 | S | 35.2 | Very low | 44 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 65% | 0.65 | 69% | 0.694 | S | S | * | * | trans | -77.9 | 144.3 | 157.3 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | S227 | S227-S229 PolarHBondContact O-N 2.9Š| ||
| 230 | L | 43.6 | Very low | 45.2 | Very low | 142 Ų | 142 | 133 Ų | 133 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -94.9 | -5.1 | -173.3 | -155.6 | 135.8 | 0 | 0 | 0 | 113 | ||
| 231 | E | 44.5 | Very low | 46.1 | Very low | 159 Ų | 159 | 134.2 Ų | 134.2 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -86.3 | -18.2 | -166.6 | -62.9 | -175.2 | 106.1 | 0 | 0 | 114.6 | ||
| 232 | D | 45.2 | Very low | 47.1 | Very low | 136 Ų | 136 | 128.4 Ų | 128.4 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -112.5 | 86.4 | -177.6 | -173.5 | 25.8 | 0 | 0 | 0 | 112.8 | ||||
| 233 | R | 53.3 | Low | 48.1 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 49% | 0.487 | 69% | 0.693 | S | S | . | * | trans | -137 | 71.8 | 172 | -74.2 | -111.8 | 69.5 | 179.5 | 0.7 | 110.3 | G249 | R233-G249 WeakPolarHBondContact O-CA 3.5Š| ||
| 234 | D | 49 | Very low | 49.9 | Very low | 83 Ų | 83 | 124.1 Ų | 124.1 | 44% | 0.444 | 67% | 0.673 | S | S | . | * | trans | -70 | 158.6 | 168.8 | -95.7 | -13.1 | 0 | 0 | 0 | 112.9 | Q236 R255 | D234-Q236 PolarHBondContact O-N 2.78Å; D234-R255 IonicContact OD1-CZ 3.1Å; D234-R255 IonicContact OD1-NH1 3.35Å; D234-R255 PolarHBondContact OD1-NH1 3.14Å; D234-R255 IonicContact OD1-NH2 2.9Å; D234-R255 PolarHBondContact OD1-NH2 3.4Å | ||
| 235 | P | 65.4 | Low | 51.4 | Low | 89 Ų | 89 | 120.8 Ų | 120.8 | 58% | 0.578 | 66% | 0.664 | S | S | * | * | trans | -67.7 | 126.5 | -171.2 | 26.8 | -34.6 | 0 | 0 | 0 | 111.9 | V247 | P235-V247 VanDerWaalsContact CA-O 3.3Å; P235-V247 WeakPolarHBondContact CA-O 3.35Å | ||
| 236 | Q | 57.2 | Low | 53.5 | Low | 85 Ų | 85 | 120.1 Ų | 120.1 | 40% | 0.397 | 65% | 0.654 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.1 | 136 | -176.2 | -72.6 | 172.3 | -14.1 | 0 | 0 | 110.8 | D234 F238 V247 | D234-Q236 PolarHBondContact O-N 2.78Å; Q236-F238 HydrophobicContact CB-CD2 4.37Å; Q236-F238 HydrophobicContact CB-CE2 3.62Å; Q236-F238 HydrophobicContact CB-CZ 4.13Å; Q236-V247 HydrophobicContact CB-CB 4.46Å; Q236-V247 PolarHBondContact N-O 2.87Å; Q236-V247 PolarHBondContact O-N 3.05Å |
| 237 | V | 71 | Confident | 55.3 | Low | 85 Ų | 85 | 114.9 Ų | 114.9 | 52% | 0.515 | 63% | 0.632 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.3 | 117.3 | 175.7 | -173.9 | 0 | 0 | 0 | 0 | 108.5 | V244 F246 | V237-V244 HydrophobicContact CG1-CG1 3.81Å; V237-F246 HydrophobicContact CG1-CD1 4.03Å; V237-F246 HydrophobicContact CG1-CE1 3.89Å; V237-F246 HydrophobicContact CG2-CD1 3.8Å; V237-F246 HydrophobicContact CG2-CE1 4.11Å |
| 238 | F | 65.9 | Low | 56.8 | Low | 101 Ų | 101 | 116.3 Ų | 116.3 | 44% | 0.443 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 119.1 | 176.1 | -64.9 | -88.5 | 0 | 0 | 0 | 109.5 | Q236 K245 V247 | Q236-F238 HydrophobicContact CB-CD2 4.37Å; Q236-F238 HydrophobicContact CB-CE2 3.62Å; Q236-F238 HydrophobicContact CB-CZ 4.13Å; F238-K245 HydrophobicContact CB-CB 4.38Å; F238-K245 PolarHBondContact N-O 2.82Å; F238-K245 PolarHBondContact O-N 2.83Å; F238-V247 HydrophobicContact CD2-CG2 4.26Å; F238-V247 HydrophobicContact CE2-CG2 4.15Å |
| 239 | L | 66.3 | Low | 58.4 | Low | 139 Ų | 139 | 111.4 Ų | 111.4 | 73% | 0.728 | 60% | 0.601 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -95.2 | 123.9 | 172.5 | -60.8 | 173.1 | 0 | 0 | 0 | 108.5 | V244 | L239-V244 HydrophobicContact CD2-CB 4.29Å; L239-V244 HydrophobicContact CD2-CG1 3.8Å; L239-V244 HydrophobicContact CD2-CG2 3.68Å |
| 240 | Q | 59 | Low | 60 | Low | 145 Ų | 145 | 109.7 Ų | 109.7 | 68% | 0.678 | 59% | 0.587 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.2 | 159.7 | 167.5 | -66.4 | -163.6 | 11.6 | 0 | 0 | 110.1 | G242 E243 | Q240-G242 PolarHBondContact O-N 3.01Å; Q240-E243 PolarHBondContact N-O 2.85Å; Q240-E243 PolarHBondContact O-N 3.33Å; Q240-E243 VanDerWaalsContact O-N 3.16Å |
| 241 | P | 54 | Low | 60.7 | Low | 145 Ų | 145 | 107.3 Ų | 107.3 | 94% | 0.942 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | 97.7 | 179.3 | -22.5 | 35 | 0 | 0 | 0 | 111.8 | ||
| 242 | G | 59.5 | Low | 61.4 | Low | 82 Ų | 82 | 103.9 Ų | 103.9 | 85% | 0.845 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 111.4 | -17.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q240 | Q240-G242 PolarHBondContact O-N 3.01Š|
| 243 | E | 57.3 | Low | 61.7 | Low | 151 Ų | 151 | 102.3 Ų | 102.3 | 71% | 0.706 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -138.2 | 145.6 | -179.7 | -71.5 | -162.8 | 155 | 0 | 0 | 113.4 | Q240 | Q240-E243 PolarHBondContact N-O 2.85Å; Q240-E243 PolarHBondContact O-N 3.33Å; Q240-E243 VanDerWaalsContact O-N 3.16Å |
| 244 | V | 66.3 | Low | 61.9 | Low | 77 Ų | 77 | 102 Ų | 102 | 47% | 0.467 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -118.9 | 118.6 | 171.8 | -176.6 | 0 | 0 | 0 | 0 | 109.2 | V237 L239 F246 | V237-V244 HydrophobicContact CG1-CG1 3.81Å; L239-V244 HydrophobicContact CD2-CB 4.29Å; L239-V244 HydrophobicContact CD2-CG1 3.8Å; L239-V244 HydrophobicContact CD2-CG2 3.68Å; V244-F246 HydrophobicContact CB-CE2 4.18Å; V244-F246 HydrophobicContact CB-CZ 4.47Å; V244-F246 HydrophobicContact CG1-CD2 4.23Å; V244-F246 HydrophobicContact CG1-CE1 4.16Å; V244-F246 HydrophobicContact CG1-CE2 3.56Å; V244-F246 HydrophobicContact CG1-CZ 3.51Å |
| 245 | K | 69.3 | Low | 62.3 | Low | 141 Ų | 141 | 103.8 Ų | 103.8 | 61% | 0.613 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.8 | 109.9 | -177.3 | -169.9 | 169.4 | -172.7 | 167.5 | 0 | 111.2 | F238 | F238-K245 HydrophobicContact CB-CB 4.38Å; F238-K245 PolarHBondContact N-O 2.82Å; F238-K245 PolarHBondContact O-N 2.83Å |
| 246 | F | 70.4 | Confident | 61.7 | Low | 141 Ų | 141 | 105.8 Ų | 105.8 | 62% | 0.618 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.2 | 123.9 | 174.7 | -57 | -89 | 0 | 0 | 0 | 110.2 | V237 V244 | V237-F246 HydrophobicContact CG1-CD1 4.03Å; V237-F246 HydrophobicContact CG1-CE1 3.89Å; V237-F246 HydrophobicContact CG2-CD1 3.8Å; V237-F246 HydrophobicContact CG2-CE1 4.11Å; V244-F246 HydrophobicContact CB-CE2 4.18Å; V244-F246 HydrophobicContact CB-CZ 4.47Å; V244-F246 HydrophobicContact CG1-CD2 4.23Å; V244-F246 HydrophobicContact CG1-CE1 4.16Å; V244-F246 HydrophobicContact CG1-CE2 3.56Å; V244-F246 HydrophobicContact CG1-CZ 3.51Å |
| 247 | V | 73.5 | Confident | 61.6 | Low | 40 Ų | 40 | 108.6 Ų | 108.6 | 24% | 0.242 | 58% | 0.58 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.2 | 101.3 | 168.9 | -178.7 | 0 | 0 | 0 | 0 | 107.2 | P235 Q236 F238 | P235-V247 VanDerWaalsContact CA-O 3.3Å; P235-V247 WeakPolarHBondContact CA-O 3.35Å; Q236-V247 HydrophobicContact CB-CB 4.46Å; Q236-V247 PolarHBondContact N-O 2.87Å; Q236-V247 PolarHBondContact O-N 3.05Å; F238-V247 HydrophobicContact CD2-CG2 4.26Å; F238-V247 HydrophobicContact CE2-CG2 4.15Å |
| 248 | L | 57.7 | Low | 61 | Low | 153 Ų | 153 | 107.1 Ų | 107.1 | 80% | 0.801 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 132.2 | 176.2 | -61.8 | 177.1 | 0 | 0 | 0 | 110 | ||
| 249 | G | 63.8 | Low | 60.4 | Low | 24 Ų | 24 | 110 Ų | 110 | 25% | 0.247 | 58% | 0.583 | C | S | . | * | P | Polyproline II helix | trans | -70.4 | 167.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R233 | R233-G249 WeakPolarHBondContact O-CA 3.5Š|
| 250 | P | 68.2 | Low | 59.6 | Low | 56 Ų | 56 | 112.5 Ų | 112.5 | 36% | 0.364 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 140.3 | 179.2 | 25.7 | -33.8 | 0 | 0 | 0 | 111.8 | Y254 R255 | P250-Y254 HydrophobicContact CB-CD1 3.7Å; P250-Y254 HydrophobicContact CB-CE1 4.38Å; P250-Y254 HydrophobicContact CB-CG 4.32Å; P250-R255 HydrophobicContact CG-CG 4.37Å; P250-R255 PolarHBondContact O-NE 3.39Å |
| 251 | T | 58.8 | Low | 59.2 | Low | 92 Ų | 92 | 110.7 Ų | 110.7 | 56% | 0.564 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 154.1 | -177.5 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | T253 Y254 R255 | T251-T253 PolarHBondContact O-N 3.39Å; T251-T253 VanDerWaalsContact O-N 3.14Å; T251-T253 PolarHBondContact OG1-OG1 2.96Å; T251-Y254 WeakPolarHBondContact O-CA 3.32Å; T251-Y254 WeakPolarHBondContact O-CB 3.5Å; T251-Y254 PolarHBondContact O-N 2.87Å; T251-R255 PolarHBondContact O-N 2.8Å |
| 252 | S | 57.4 | Low | 58.9 | Low | 87 Ų | 87 | 106.2 Ų | 106.2 | 61% | 0.608 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -56.2 | -31.8 | -177.9 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | H256 | S252-H256 WeakPolarHBondContact O-CB 3.49Å; S252-H256 PolarHBondContact O-N 2.91Å; S252-H256 VanDerWaalsContact O-N 3.12Å; S252-H256 PolarHBondContact O-ND1 3.38Å; S252-H256 VanDerWaalsContact O-ND1 3.09Å |
| 253 | T | 52.7 | Low | 58.2 | Low | 103 Ų | 103 | 107.2 Ų | 107.2 | 63% | 0.632 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -71.2 | -27.8 | 174.7 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | T251 | T251-T253 PolarHBondContact O-N 3.39Å; T251-T253 VanDerWaalsContact O-N 3.14Å; T251-T253 PolarHBondContact OG1-OG1 2.96Å |
| 254 | Y | 57.8 | Low | 57.7 | Low | 124 Ų | 124 | 104.2 Ų | 104.2 | 49% | 0.486 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -78.1 | -46.7 | 172.8 | -172.8 | -91.2 | 0 | 0 | 0 | 111.1 | P250 T251 H256 K257 V258 | P250-Y254 HydrophobicContact CB-CD1 3.7Å; P250-Y254 HydrophobicContact CB-CE1 4.38Å; P250-Y254 HydrophobicContact CB-CG 4.32Å; T251-Y254 WeakPolarHBondContact O-CA 3.32Å; T251-Y254 WeakPolarHBondContact O-CB 3.5Å; T251-Y254 PolarHBondContact O-N 2.87Å; Y254-H256 PolarHBondContact O-N 3.06Å; Y254-K257 PolarHBondContact O-N 3.2Å; Y254-V258 HydrophobicContact CD1-CG2 4.04Å; Y254-V258 HydrophobicContact CE1-CG2 3.67Å; Y254-V258 PolarHBondContact O-N 3.48Å; Y254-V258 VanDerWaalsContact O-N 3.17Å |
| 255 | R | 57 | Low | 56.6 | Low | 120 Ų | 120 | 109.2 Ų | 109.2 | 45% | 0.453 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -53.6 | -41.3 | 174.9 | -63.4 | -165.7 | -170.6 | -149.7 | 2.7 | 111.2 | D234 P250 T251 K257 V258 K259 | D234-R255 IonicContact OD1-CZ 3.1Å; D234-R255 IonicContact OD1-NH1 3.35Å; D234-R255 PolarHBondContact OD1-NH1 3.14Å; D234-R255 IonicContact OD1-NH2 2.9Å; D234-R255 PolarHBondContact OD1-NH2 3.4Å; P250-R255 HydrophobicContact CG-CG 4.37Å; P250-R255 PolarHBondContact O-NE 3.39Å; T251-R255 PolarHBondContact O-N 2.8Å; R255-K257 PolarHBondContact O-N 2.87Å; R255-V258 PolarHBondContact O-N 3.17Å; R255-K259 WeakPolarHBondContact O-CB 3.4Å; R255-K259 PolarHBondContact O-N 3.45Å |
| 256 | H | 53.1 | Low | 55.2 | Low | 130 Ų | 130 | 108.8 Ų | 108.8 | 60% | 0.602 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -67 | -25.1 | 176.2 | -90.8 | 96.6 | 0 | 0 | 0 | 115.8 | S252 Y254 | S252-H256 WeakPolarHBondContact O-CB 3.49Å; S252-H256 PolarHBondContact O-N 2.91Å; S252-H256 VanDerWaalsContact O-N 3.12Å; S252-H256 PolarHBondContact O-ND1 3.38Å; S252-H256 VanDerWaalsContact O-ND1 3.09Å; Y254-H256 PolarHBondContact O-N 3.06Å |
| 257 | K | 53.8 | Low | 53.7 | Low | 145 Ų | 145 | 110 Ų | 110 | 63% | 0.63 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -76.1 | -50.3 | 172.6 | -77.5 | -169.5 | 172.4 | -169 | 0 | 110.9 | Y254 R255 K259 R260 D261 | Y254-K257 PolarHBondContact O-N 3.2Å; R255-K257 PolarHBondContact O-N 2.87Å; K257-K259 VanDerWaalsContact C-N 3.28Å; K257-K259 PolarHBondContact O-N 3.14Å; K257-R260 WeakPolarHBondContact O-CA 3.16Å; K257-R260 VanDerWaalsContact O-CB 3.32Å; K257-R260 WeakPolarHBondContact O-CB 3.47Å; K257-R260 PolarHBondContact O-N 3.45Å; K257-D261 PolarHBondContact O-N 2.98Å |
| 258 | V | 58.6 | Low | 52.2 | Low | 53 Ų | 53 | 118.4 Ų | 118.4 | 32% | 0.321 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -57.3 | -42.1 | 178.7 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | Y254 R255 R260 D261 S262 | Y254-V258 HydrophobicContact CD1-CG2 4.04Å; Y254-V258 HydrophobicContact CE1-CG2 3.67Å; Y254-V258 PolarHBondContact O-N 3.48Å; Y254-V258 VanDerWaalsContact O-N 3.17Å; R255-V258 PolarHBondContact O-N 3.17Å; V258-R260 PolarHBondContact O-N 2.78Å; V258-D261 PolarHBondContact O-N 2.74Å; V258-S262 PolarHBondContact O-N 3.41Å; V258-S262 PolarHBondContact O-OG 3.44Å |
| 259 | K | 54.3 | Low | 51.3 | Low | 161 Ų | 161 | 116.3 Ų | 116.3 | 70% | 0.7 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69.8 | -13.4 | 176 | -161.5 | 171.9 | -177.7 | -179.6 | 0 | 114.3 | R255 K257 S262 V263 | R255-K259 WeakPolarHBondContact O-CB 3.4Å; R255-K259 PolarHBondContact O-N 3.45Å; K257-K259 VanDerWaalsContact C-N 3.28Å; K257-K259 PolarHBondContact O-N 3.14Å; K259-S262 PolarHBondContact O-OG 3.48Å; K259-V263 WeakPolarHBondContact O-CG2 3.21Å |
| 260 | R | 49.1 | Very low | 49.9 | Very low | 193 Ų | 193 | 120.9 Ų | 120.9 | 73% | 0.728 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -86.6 | -43.2 | 168.8 | -116.3 | 179.5 | 174.4 | 122.8 | -2.3 | 111.1 | K257 V258 S262 V263 C264 | K257-R260 WeakPolarHBondContact O-CA 3.16Å; K257-R260 VanDerWaalsContact O-CB 3.32Å; K257-R260 WeakPolarHBondContact O-CB 3.47Å; K257-R260 PolarHBondContact O-N 3.45Å; V258-R260 PolarHBondContact O-N 2.78Å; R260-S262 VanDerWaalsContact C-N 3.35Å; R260-S262 PolarHBondContact O-N 2.95Å; R260-V263 PolarHBondContact O-N 2.7Å; R260-C264 PolarHBondContact O-N 3.02Å; R260-C264 PolarHBondContact O-SG 3.36Å |
| 261 | D | 49.8 | Very low | 48.4 | Very low | 106 Ų | 106 | 129.2 Ų | 129.2 | 57% | 0.567 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.7 | -29.8 | -178.7 | -63.9 | -35.8 | 0 | 0 | 0 | 112.7 | K257 V258 C264 R265 | K257-D261 PolarHBondContact O-N 2.98Å; V258-D261 PolarHBondContact O-N 2.74Å; D261-C264 WeakPolarHBondContact O-CB 3.47Å; D261-C264 PolarHBondContact O-N 3.18Å; D261-R265 PolarHBondContact O-N 3.2Å |
| 262 | S | 47.9 | Very low | 47.4 | Very low | 51 Ų | 51 | 130 Ų | 130 | 36% | 0.357 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -67.2 | -40.4 | 173.7 | 61.7 | 0 | 0 | 0 | 0 | 112.9 | V258 K259 R260 C264 R265 H266 | V258-S262 PolarHBondContact O-N 3.41Å; V258-S262 PolarHBondContact O-OG 3.44Å; K259-S262 PolarHBondContact O-OG 3.48Å; R260-S262 VanDerWaalsContact C-N 3.35Å; R260-S262 PolarHBondContact O-N 2.95Å; S262-C264 PolarHBondContact O-N 3.26Å; S262-R265 WeakPolarHBondContact O-CB 3.3Å; S262-R265 PolarHBondContact O-N 2.85Å; S262-H266 PolarHBondContact O-N 2.96Å |
| 263 | V | 45.8 | Very low | 46.3 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 62% | 0.624 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -61 | -36.4 | 173.4 | 175.8 | 0 | 0 | 0 | 0 | 111 | K259 R260 R265 | K259-V263 WeakPolarHBondContact O-CG2 3.21Å; R260-V263 PolarHBondContact O-N 2.7Å; V263-R265 VanDerWaalsContact C-N 3.31Å; V263-R265 PolarHBondContact O-N 3.44Å |
| 264 | C | 45.4 | Very low | 45.3 | Very low | 89 Ų | 89 | 138 Ų | 138 | 60% | 0.601 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -68.4 | -23.7 | 174 | -66.3 | 0 | 0 | 0 | 0 | 114 | R260 D261 S262 | R260-C264 PolarHBondContact O-N 3.02Å; R260-C264 PolarHBondContact O-SG 3.36Å; D261-C264 WeakPolarHBondContact O-CB 3.47Å; D261-C264 PolarHBondContact O-N 3.18Å; S262-C264 PolarHBondContact O-N 3.26Å |
| 265 | R | 44.1 | Very low | 43.9 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 69% | 0.687 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72.2 | -50.2 | 175.3 | -87.7 | -167.3 | 176.1 | -166.9 | 1 | 112.6 | D261 S262 V263 H267 R268 E269 | D261-R265 PolarHBondContact O-N 3.2Å; S262-R265 WeakPolarHBondContact O-CB 3.3Å; S262-R265 PolarHBondContact O-N 2.85Å; V263-R265 VanDerWaalsContact C-N 3.31Å; V263-R265 PolarHBondContact O-N 3.44Å; R265-H267 PolarHBondContact O-N 3.13Å; R265-R268 WeakPolarHBondContact O-CA 3.28Å; R265-R268 VanDerWaalsContact O-CB 3.28Å; R265-R268 WeakPolarHBondContact O-CB 3.48Å; R265-R268 PolarHBondContact O-N 3.47Å; R265-E269 PolarHBondContact O-N 2.85Å |
| 266 | H | 39.5 | Very low | 42.7 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 61% | 0.606 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -60.1 | -31.9 | -175.7 | -74.1 | -22.7 | 0 | 0 | 0 | 113.3 | S262 R268 E269 | S262-H266 PolarHBondContact O-N 2.96Å; H266-R268 PolarHBondContact O-N 3.37Å; H266-E269 WeakPolarHBondContact CA-OE2 3.5Å; H266-E269 IonicContact CE1-OE2 3.21Å; H266-E269 IonicContact CG-OE2 2.8Å; H266-E269 IonicContact ND1-OE2 2.68Å; H266-E269 PolarHBondContact ND1-OE2 3.2Å; H266-E269 PolarHBondContact O-N 3.11Å |
| 267 | H | 39 | Very low | 42.1 | Very low | 166 Ų | 166 | 137 Ų | 137 | 77% | 0.769 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -65.4 | -20.4 | 174.7 | -154 | -28.9 | 0 | 0 | 0 | 113.4 | R265 | R265-H267 PolarHBondContact O-N 3.13Å |
| 268 | R | 41.8 | Very low | 41 | Very low | 217 Ų | 217 | 136.7 Ų | 136.7 | 82% | 0.819 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -87.5 | -22.6 | 178.9 | -149.8 | 175.2 | -167.6 | -179.2 | 3.4 | 113.2 | R265 H266 | R265-R268 WeakPolarHBondContact O-CA 3.28Å; R265-R268 VanDerWaalsContact O-CB 3.28Å; R265-R268 WeakPolarHBondContact O-CB 3.48Å; R265-R268 PolarHBondContact O-N 3.47Å; H266-R268 PolarHBondContact O-N 3.37Å |
| 269 | E | 38.8 | Very low | 39.8 | Very low | 110 Ų | 110 | 140 Ų | 140 | 51% | 0.514 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -84 | -24 | -174.4 | -69.8 | 161.3 | 161.3 | 0 | 0 | 112.3 | R265 H266 R271 | R265-E269 PolarHBondContact O-N 2.85Å; H266-E269 WeakPolarHBondContact CA-OE2 3.5Å; H266-E269 IonicContact CE1-OE2 3.21Å; H266-E269 IonicContact CG-OE2 2.8Å; H266-E269 IonicContact ND1-OE2 2.68Å; H266-E269 PolarHBondContact ND1-OE2 3.2Å; H266-E269 PolarHBondContact O-N 3.11Å; E269-R271 VanDerWaalsContact C-N 3.27Å; E269-R271 PolarHBondContact O-N 3.5Å |
| 270 | C | 35 | Very low | 39 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 81% | 0.811 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | 13.8 | 179 | -59.1 | 0 | 0 | 0 | 0 | 115.8 | ||
| 271 | R | 36.6 | Very low | 38.4 | Very low | 230 Ų | 230 | 136.4 Ų | 136.4 | 87% | 0.868 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | 28.2 | -173.5 | -148.6 | -169.2 | 179.1 | -165 | -1.2 | 115.3 | E269 | E269-R271 VanDerWaalsContact C-N 3.27Å; E269-R271 PolarHBondContact O-N 3.5Å |
| 272 | T | 38.8 | Very low | 38 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | trans | -128.6 | 65.8 | -177.5 | 53.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 273 | H | 33.7 | Very low | 37.1 | Very low | 165 Ų | 165 | 144 Ų | 144 | 76% | 0.764 | 75% | 0.749 | S | S | * | * | trans | -139.1 | 128.9 | 163.3 | -86 | -70.6 | 0 | 0 | 0 | 112.2 | ||||
| 274 | F | 31.6 | Very low | 36.6 | Very low | 193 Ų | 193 | 147.8 Ų | 147.8 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | 57.3 | 97.4 | 170.4 | -56.7 | -70.8 | 0 | 0 | 0 | 118.9 | ||||
| 275 | C | 27.8 | Very low | 36.1 | Very low | 139 Ų | 139 | 151 Ų | 151 | 94% | 0.939 | 77% | 0.77 | S | S | * | * | -152.9 | 131.7 | 129.9 | -124.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 276 | A | 32.3 | Very low | 35.3 | Very low | 93 Ų | 93 | 150.8 Ų | 150.8 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -127.7 | 141.3 | 160.7 | 0 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 277 | P | 39.8 | Very low | 34.6 | Very low | 121 Ų | 121 | 150.8 Ų | 150.8 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | -144.1 | 154.3 | 68.7 | 38.8 | -21.9 | 0 | 0 | 0 | 117.1 | |||||
| 278 | N | 31.8 | Very low | 34.3 | Very low | 137 Ų | 137 | 148.9 Ų | 148.9 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | 36.9 | 150.4 | 134.6 | -154.4 | 34.1 | 0 | 0 | 0 | 124 | ||||
| 279 | N | 32.5 | Very low | 33.8 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 65% | 0.652 | 79% | 0.79 | S | S | * | * | trans | 76 | 94.7 | 165.7 | -71 | -15.1 | 0 | 0 | 0 | 119.4 | ||||
| 280 | N | 38.8 | Very low | 33.7 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | 51.4 | 137.7 | 118.9 | -69.4 | 15.1 | 0 | 0 | 0 | 123.2 | |||||
| 281 | N | 36 | Very low | 33.3 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 89.8 | 109.1 | 157.9 | -62.1 | 9.5 | 0 | 0 | 0 | 118.8 | ||||
| 282 | E | 40.3 | Very low | 32.9 | Very low | 184 Ų | 184 | 142.4 Ų | 142.4 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | 40.6 | 108.4 | 133.3 | -59.3 | 177.8 | 133.1 | 0 | 0 | 119.8 | ||||
| 283 | C | 29.8 | Very low | 32.2 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 90% | 0.899 | 81% | 0.81 | S | S | * | * | trans | -153.7 | 135.5 | 140.4 | -153.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 284 | E | 36.3 | Very low | 31.9 | Very low | 181 Ų | 181 | 145.4 Ų | 145.4 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -85.1 | 148.3 | 170.5 | -55.7 | -103.5 | 104.5 | 0 | 0 | 109.3 | ||||
| 285 | D | 33.3 | Very low | 31.7 | Very low | 157 Ų | 157 | 144.5 Ų | 144.5 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | -171.1 | 165.1 | 123.9 | -135.1 | -41 | 0 | 0 | 0 | 112.3 | |||||
| 286 | E | 27.4 | Very low | 31.7 | Very low | 178 Ų | 178 | 143.4 Ų | 143.4 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -79.1 | 152.9 | -173.4 | -67.4 | -170.8 | 77.8 | 0 | 0 | 115.1 | P288 | E286-P288 WeakPolarHBondContact O-CD 3.24Š| ||
| 287 | C | 24.7 | Very low | 31.7 | Very low | 130 Ų | 130 | 146 Ų | 146 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | trans | -104.3 | 104.7 | 172.3 | -76.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 288 | P | 33.5 | Very low | 31.3 | Very low | 127 Ų | 127 | 148.4 Ų | 148.4 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -73.1 | 139.9 | 168.7 | 30 | -33.4 | 0 | 0 | 0 | 111.2 | E286 | E286-P288 WeakPolarHBondContact O-CD 3.24Š| ||
| 289 | S | 30.7 | Very low | 31.1 | Very low | 108 Ų | 108 | 145.6 Ų | 145.6 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | -90.1 | 145.5 | -179.4 | 60.1 | 0 | 0 | 0 | 0 | 112.6 | Q291 | S289-Q291 PolarHBondContact O-N 3.14Å; S289-Q291 VanDerWaalsContact O-N 3.16Å | ||
| 290 | P | 36.1 | Very low | 31 | Very low | 129 Ų | 129 | 148 Ų | 148 | 84% | 0.838 | 82% | 0.82 | S | S | * | * | trans | -77.1 | 102.8 | 178.3 | 30 | -33.3 | 0 | 0 | 0 | 111.2 | ||||
| 291 | Q | 27.4 | Very low | 30.4 | Very low | 172 Ų | 172 | 149.1 Ų | 149.1 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | trans | -72.6 | 129 | 172.9 | -172.9 | 170.9 | -3.7 | 0 | 0 | 110.5 | S289 I293 | S289-Q291 PolarHBondContact O-N 3.14Å; S289-Q291 VanDerWaalsContact O-N 3.16Å; Q291-I293 PolarHBondContact O-N 3.47Å | ||
| 292 | C | 27.6 | Very low | 30.2 | Very low | 131 Ų | 131 | 148.4 Ų | 148.4 | 89% | 0.885 | 83% | 0.826 | S | S | * | * | trans | -70 | 120.9 | 178.3 | -68.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 293 | I | 24.6 | Very low | 30 | Very low | 148 Ų | 148 | 145.4 Ų | 145.4 | 76% | 0.759 | 82% | 0.822 | S | S | * | * | trans | -110.5 | 143.4 | 169.2 | -63.4 | -179.7 | 0 | 0 | 0 | 108.5 | Q291 E295 | Q291-I293 PolarHBondContact O-N 3.47Å; I293-E295 HydrophobicContact CG2-CG 4.26Å | ||
| 294 | Y | 26.8 | Very low | 29.8 | Very low | 190 Ų | 190 | 143.8 Ų | 143.8 | 75% | 0.745 | 81% | 0.812 | S | S | * | * | trans | -119.1 | 117.2 | -178.3 | 174.7 | -89.5 | 0 | 0 | 0 | 108.3 | N296 | Y294-N296 VanDerWaalsContact CE1-ND2 3.28Å; Y294-N296 WeakPolarHBondContact CE1-ND2 3.45Å; Y294-N296 PolarHBondContact OH-ND2 3.4Å | ||
| 295 | E | 28.2 | Very low | 29.3 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -116.4 | 127.6 | 178.8 | -72.6 | -165.2 | 124.2 | 0 | 0 | 112 | I293 | I293-E295 HydrophobicContact CG2-CG 4.26Š| ||
| 296 | N | 28.5 | Very low | 29 | Very low | 116 Ų | 116 | 140.2 Ų | 140.2 | 62% | 0.62 | 81% | 0.814 | S | S | * | * | trans | -123.5 | 116.1 | 163.8 | -76 | -28.9 | 0 | 0 | 0 | 107.8 | Y294 | Y294-N296 VanDerWaalsContact CE1-ND2 3.28Å; Y294-N296 WeakPolarHBondContact CE1-ND2 3.45Å; Y294-N296 PolarHBondContact OH-ND2 3.4Å | ||
| 297 | V | 31.1 | Very low | 29.1 | Very low | 146 Ų | 146 | 137.3 Ų | 137.3 | 89% | 0.885 | 81% | 0.813 | S | S | * | * | trans | -159.8 | 151.5 | 144.2 | -111 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 298 | N | 30.9 | Very low | 29.3 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | trans | -67.1 | 140.1 | 164.6 | -67.8 | -21.9 | 0 | 0 | 0 | 110.5 | ||||
| 299 | G | 28.3 | Very low | 29 | Very low | 79 Ų | 79 | 145.1 Ų | 145.1 | 81% | 0.814 | 82% | 0.82 | S | S | * | * | trans | -141.7 | 114.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 300 | L | 29.7 | Very low | 28.9 | Very low | 171 Ų | 171 | 151.7 Ų | 151.7 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | trans | -84.6 | 138.1 | 164.6 | -74.4 | 162 | 0 | 0 | 0 | 108.8 | ||||
| 301 | L | 27.2 | Very low | 28.4 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 88% | 0.88 | 83% | 0.826 | S | S | * | * | 178.4 | 153.1 | 127.8 | -97.1 | 164.5 | 0 | 0 | 0 | 112.3 | |||||
| 302 | T | 31.2 | Very low | 28.5 | Very low | 121 Ų | 121 | 145 Ų | 145 | 74% | 0.742 | 83% | 0.828 | S | S | * | * | trans | -93.5 | 164.2 | 172.4 | 46.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 303 | P | 36.3 | Very low | 28.7 | Very low | 121 Ų | 121 | 149.9 Ų | 149.9 | 79% | 0.786 | 83% | 0.828 | S | S | * | * | -136.1 | 123.6 | 125.3 | 34.9 | -23.8 | 0 | 0 | 0 | 115.4 | |||||
| 304 | S | 25.2 | Very low | 28.9 | Very low | 99 Ų | 99 | 150.8 Ų | 150.8 | 69% | 0.692 | 83% | 0.834 | S | S | * | * | 43.4 | 104.7 | 124.7 | -48.7 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 305 | S | 25.9 | Very low | 29.1 | Very low | 110 Ų | 110 | 150.7 Ų | 150.7 | 77% | 0.769 | 84% | 0.837 | S | S | * | * | 50 | 118.7 | 125.8 | 65.9 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 306 | T | 28.5 | Very low | 29 | Very low | 154 Ų | 154 | 149.8 Ų | 149.8 | 95% | 0.945 | 84% | 0.837 | S | S | * | * | -139.1 | 143.7 | 126.5 | 32.3 | 0 | 0 | 0 | 0 | 110 | |||||
| 307 | S | 28.1 | Very low | 28.9 | Very low | 116 Ų | 116 | 152.1 Ų | 152.1 | 81% | 0.811 | 85% | 0.848 | S | S | * | * | trans | -115.6 | 131.4 | -174.3 | 60.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 308 | L | 29.7 | Very low | 28.7 | Very low | 178 Ų | 178 | 154.2 Ų | 154.2 | 93% | 0.932 | 84% | 0.84 | S | S | * | * | trans | -140.7 | 127.3 | 163.4 | -100.6 | 172.2 | 0 | 0 | 0 | 111.3 | ||||
| 309 | R | 27 | Very low | 28.5 | Very low | 244 Ų | 244 | 155 Ų | 155 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | trans | -91.2 | 139.5 | 175.2 | -60.4 | -178.3 | -174.4 | -123 | 7.1 | 110.6 | ||||
| 310 | R | 28.2 | Very low | 28.6 | Very low | 246 Ų | 246 | 156.6 Ų | 156.6 | 93% | 0.928 | 83% | 0.828 | S | S | * | * | trans | -152.8 | 128 | 142.3 | -165.8 | 162.5 | -70.4 | -144.2 | 0.1 | 110.3 | ||||
| 311 | G | 26.6 | Very low | 28.9 | Very low | 77 Ų | 77 | 157 Ų | 157 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | -99 | 162 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 312 | G | 28.1 | Very low | 29 | Very low | 82 Ų | 82 | 152 Ų | 152 | 85% | 0.845 | 82% | 0.818 | S | S | * | * | trans | -154.2 | 133.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 313 | R | 31.4 | Very low | 29 | Very low | 235 Ų | 235 | 154.5 Ų | 154.5 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | trans | -146.2 | 100.1 | -169.1 | -177.4 | -164.5 | -175 | -155.5 | 5.6 | 111.6 | ||||
| 314 | L | 29.8 | Very low | 28.8 | Very low | 167 Ų | 167 | 154.9 Ų | 154.9 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -139 | 121.7 | 168.1 | -62.4 | 172.3 | 0 | 0 | 0 | 106.6 | ||||
| 315 | K | 30.5 | Very low | 29 | Very low | 187 Ų | 187 | 155.9 Ų | 155.9 | 81% | 0.813 | 83% | 0.834 | S | S | * | * | 73.2 | 75.6 | 61.8 | -78.1 | -158.9 | 168.8 | -169.5 | 0 | 115.3 | |||||
| 316 | L | 27 | Very low | 29.2 | Very low | 156 Ų | 156 | 156 Ų | 156 | 82% | 0.817 | 83% | 0.833 | S | S | * | * | 30.3 | 120.9 | 119.5 | -160.2 | 168.1 | 0 | 0 | 0 | 118.2 | R318 | L316-R318 HydrophobicContact CD2-CB 4.33Š| |||
| 317 | I | 25 | Very low | 29.3 | Very low | 166 Ų | 166 | 154.4 Ų | 154.4 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -130.4 | 147.3 | 154.5 | -64.4 | -179.5 | 0 | 0 | 0 | 107.9 | ||||
| 318 | R | 27.3 | Very low | 29.7 | Very low | 190 Ų | 190 | 157 Ų | 157 | 72% | 0.717 | 83% | 0.828 | S | S | * | * | trans | -148.5 | 115.4 | -178 | 170.7 | -136.5 | 167.3 | 163.4 | -5.2 | 111.3 | L316 D320 | L316-R318 HydrophobicContact CD2-CB 4.33Å; R318-D320 IonicContact CZ-OD2 2.68Å; R318-D320 IonicContact NE-OD2 2.67Å; R318-D320 PolarHBondContact NE-OD2 3.22Å; R318-D320 IonicContact NH2-OD2 2.72Å; R318-D320 PolarHBondContact NH2-OD2 3.17Å | ||
| 319 | E | 28 | Very low | 30.2 | Very low | 189 Ų | 189 | 160.2 Ų | 160.2 | 88% | 0.883 | 83% | 0.827 | S | S | * | * | trans | -149.3 | 123 | 156.6 | -59.8 | -175.4 | 143.7 | 0 | 0 | 104.4 | ||||
| 320 | D | 30.7 | Very low | 30.8 | Very low | 112 Ų | 112 | 160.5 Ų | 160.5 | 60% | 0.599 | 83% | 0.828 | S | S | * | * | cis | 92.2 | 95.2 | 19.6 | -147.2 | -13.3 | 0 | 0 | 0 | 115.2 | R318 | R318-D320 IonicContact CZ-OD2 2.68Å; R318-D320 IonicContact NE-OD2 2.67Å; R318-D320 PolarHBondContact NE-OD2 3.22Å; R318-D320 IonicContact NH2-OD2 2.72Å; R318-D320 PolarHBondContact NH2-OD2 3.17Å | ||
| 321 | L | 34.1 | Very low | 31.2 | Very low | 178 Ų | 178 | 155.6 Ų | 155.6 | 93% | 0.932 | 83% | 0.826 | S | S | * | * | trans | -163.5 | 128.3 | 167.5 | -110 | 167.5 | 0 | 0 | 0 | 106.4 | ||||
| 322 | G | 30.6 | Very low | 31.7 | Very low | 63 Ų | 63 | 156.2 Ų | 156.2 | 65% | 0.649 | 82% | 0.824 | S | S | * | * | trans | -153.9 | 171.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 323 | L | 30.1 | Very low | 32.4 | Very low | 175 Ų | 175 | 160 Ų | 160 | 92% | 0.916 | 82% | 0.824 | S | S | * | * | trans | -147.2 | 146 | 165.6 | -142.9 | 73.2 | 0 | 0 | 0 | 112.7 | ||||
| 324 | T | 32.3 | Very low | 33.1 | Very low | 128 Ų | 128 | 154.6 Ų | 154.6 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -51.1 | 142.5 | -175.2 | 51.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 325 | S | 29.3 | Very low | 33.5 | Very low | 120 Ų | 120 | 153.7 Ų | 153.7 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | -159.7 | 137.3 | 116.4 | -167.3 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 326 | C | 30.1 | Very low | 34.3 | Very low | 112 Ų | 112 | 153.1 Ų | 153.1 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | trans | -116.9 | 140 | 176.4 | -68.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 327 | S | 32.2 | Very low | 35.5 | Very low | 122 Ų | 122 | 153 Ų | 153 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -140.5 | 125.3 | 161.6 | -169.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 328 | H | 34.9 | Very low | 36.8 | Very low | 171 Ų | 171 | 152.3 Ų | 152.3 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | trans | -97.7 | 122.7 | -172.6 | -71.4 | 78.1 | 0 | 0 | 0 | 111.1 | ||||
| 329 | R | 40.4 | Very low | 38.2 | Very low | 244 Ų | 244 | 149.6 Ų | 149.6 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -138.1 | 98 | 159.1 | -75.5 | -160.5 | 169.7 | -159.8 | -3.3 | 112.6 | ||||
| 330 | R | 40.4 | Very low | 39.1 | Very low | 250 Ų | 250 | 145.9 Ų | 145.9 | 94% | 0.943 | 78% | 0.782 | S | S | * | * | trans | 20.6 | 111.9 | 152.4 | -66.6 | 177.5 | 172.3 | 167.5 | -3.8 | 117.4 | ||||
| 331 | T | 37 | Very low | 39.8 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -65.8 | 142.3 | 153.1 | 39.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 332 | A | 37.4 | Very low | 40.4 | Very low | 91 Ų | 91 | 145.3 Ų | 145.3 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -91.9 | 123.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 333 | L | 41.2 | Very low | 41 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | -92.5 | 106.1 | -179.5 | -160.4 | 164.3 | 0 | 0 | 0 | 108.3 | ||||
| 334 | L | 46.9 | Very low | 41.9 | Very low | 122 Ų | 122 | 144.5 Ų | 144.5 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | trans | -78.1 | 131.9 | -178.3 | -64.5 | 177.4 | 0 | 0 | 0 | 111 | Y336 | L334-Y336 HydrophobicContact CB-CD2 4.39Å; L334-Y336 HydrophobicContact CB-CE2 4Å; L334-Y336 WeakPolarHBondContact O-CD2 3.48Å | ||
| 335 | H | 38.3 | Very low | 42.3 | Very low | 147 Ų | 147 | 144.5 Ų | 144.5 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | trans | -92.3 | 103.5 | -171.9 | -157.2 | -81 | 0 | 0 | 0 | 110.8 | E337 | H335-E337 IonicContact CE1-OE2 3.41Å; H335-E337 PolarHBondContact CE1-OE2 3.38Å; H335-E337 PolarHBondContact O-N 3.17Å | ||
| 336 | Y | 48.1 | Very low | 42.8 | Very low | 176 Ų | 176 | 150 Ų | 150 | 69% | 0.69 | 78% | 0.784 | S | S | * | * | trans | -87.2 | 10.5 | -165.1 | -91.2 | -81.6 | 0 | 0 | 0 | 116.6 | L334 N338 L339 | L334-Y336 HydrophobicContact CB-CD2 4.39Å; L334-Y336 HydrophobicContact CB-CE2 4Å; L334-Y336 WeakPolarHBondContact O-CD2 3.48Å; Y336-N338 PolarHBondContact O-N 3.38Å; Y336-L339 HydrophobicContact CD1-CD1 4.24Å; Y336-L339 HydrophobicContact CE1-CD1 4.48Å | ||
| 337 | E | 51.4 | Low | 43.1 | Very low | 153 Ų | 153 | 152.7 Ų | 152.7 | 72% | 0.715 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -85.5 | -0.2 | -167.3 | -61.7 | -158.8 | 131.7 | 0 | 0 | 117 | H335 | H335-E337 IonicContact CE1-OE2 3.41Å; H335-E337 PolarHBondContact CE1-OE2 3.38Å; H335-E337 PolarHBondContact O-N 3.17Å |
| 338 | N | 52.1 | Low | 43.1 | Very low | 151 Ų | 151 | 153 Ų | 153 | 81% | 0.807 | 79% | 0.786 | S | S | * | * | trans | -135 | 59.9 | -176.3 | -77.1 | -89 | 0 | 0 | 0 | 112.9 | Y336 | Y336-N338 PolarHBondContact O-N 3.38Š| ||
| 339 | L | 57 | Low | 42.9 | Very low | 133 Ų | 133 | 153 Ų | 153 | 70% | 0.696 | 79% | 0.787 | S | S | * | * | trans | -109.6 | 135.7 | 164.7 | -70 | 173.6 | 0 | 0 | 0 | 109.7 | Y336 | Y336-L339 HydrophobicContact CD1-CD1 4.24Å; Y336-L339 HydrophobicContact CE1-CD1 4.48Å | ||
| 340 | P | 46.4 | Very low | 42.4 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 145.8 | 176 | 28.6 | -34.4 | 0 | 0 | 0 | 110.8 | L342 | P340-L342 PolarHBondContact O-N 2.99Š|
| 341 | S | 45.1 | Very low | 42 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 117.1 | -177 | 54.5 | 0 | 0 | 0 | 0 | 112 | ||
| 342 | L | 48 | Very low | 41.7 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67 | 146.8 | 171.1 | -63.4 | 175.7 | 0 | 0 | 0 | 110.4 | P340 | P340-L342 PolarHBondContact O-N 2.99Š|
| 343 | P | 43.3 | Very low | 41.3 | Very low | 106 Ų | 106 | 152.7 Ų | 152.7 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 150.6 | 174 | 28.4 | -35 | 0 | 0 | 0 | 110.9 | V345 | P343-V345 PolarHBondContact O-N 3.28Š|
| 344 | P | 48.6 | Very low | 40.8 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 126.4 | -175.2 | 25 | -34.1 | 0 | 0 | 0 | 111.7 | ||
| 345 | V | 39.3 | Very low | 40.2 | Very low | 128 Ų | 128 | 151.5 Ų | 151.5 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 130.1 | 171.1 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | P343 E347 | P343-V345 PolarHBondContact O-N 3.28Å; V345-E347 PolarHBondContact O-N 3.25Å |
| 346 | W | 40.4 | Very low | 40.1 | Very low | 235 Ų | 235 | 153.5 Ų | 153.5 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -74.8 | 92.6 | 176.5 | -68.7 | 95.3 | 0 | 0 | 0 | 110.7 | C348 | W346-C348 PolarHBondContact O-N 3.42Š| ||
| 347 | E | 37.3 | Very low | 39.3 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -74.2 | 105.5 | 172.2 | -66.5 | -167.7 | 159.4 | 0 | 0 | 111 | V345 Q349 | V345-E347 PolarHBondContact O-N 3.25Å; E347-Q349 PolarHBondContact O-N 3.17Å | ||
| 348 | C | 31 | Very low | 38.6 | Very low | 128 Ų | 128 | 151.1 Ų | 151.1 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -68.5 | 92.6 | 171.8 | -69.2 | 0 | 0 | 0 | 0 | 110.8 | W346 | W346-C348 PolarHBondContact O-N 3.42Š| ||
| 349 | Q | 30.6 | Very low | 37.6 | Very low | 173 Ų | 173 | 151.2 Ų | 151.2 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | trans | -60.2 | 135.7 | 173.4 | -70.6 | -172.4 | -10.5 | 0 | 0 | 111.4 | E347 V351 | E347-Q349 PolarHBondContact O-N 3.17Å; Q349-V351 PolarHBondContact O-N 3.35Å | ||
| 350 | P | 31 | Very low | 36.6 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | trans | -71.5 | 129.4 | 176.2 | 29 | -33.6 | 0 | 0 | 0 | 110.6 | R352 | P350-R352 PolarHBondContact O-N 3.43Š| ||
| 351 | V | 31.2 | Very low | 36 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -59.1 | 107.5 | 177.5 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | Q349 R353 | Q349-V351 PolarHBondContact O-N 3.35Å; V351-R353 PolarHBondContact O-N 3.32Å | ||
| 352 | R | 30.7 | Very low | 35.5 | Very low | 239 Ų | 239 | 150 Ų | 150 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -75 | 103.5 | 166.5 | -75.8 | -171.2 | 172.5 | -170.1 | -1.6 | 109 | P350 G354 | P350-R352 PolarHBondContact O-N 3.43Å; R352-G354 PolarHBondContact O-N 2.99Å | ||
| 353 | R | 29.9 | Very low | 34.7 | Very low | 223 Ų | 223 | 145.4 Ų | 145.4 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -60.7 | 126.1 | 162.9 | -178.2 | -176 | -60 | -90.8 | -2.5 | 108.1 | V351 | V351-R353 PolarHBondContact O-N 3.32Š| ||
| 354 | G | 29.7 | Very low | 34.5 | Very low | 68 Ų | 68 | 148.7 Ų | 148.7 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | trans | -80.8 | 149.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R352 | R352-G354 PolarHBondContact O-N 2.99Š| ||
| 355 | E | 34.5 | Very low | 33.8 | Very low | 190 Ų | 190 | 149.6 Ų | 149.6 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -129.9 | 145.5 | 158.7 | -66.1 | -178.6 | 130.8 | 0 | 0 | 105.5 | ||||
| 356 | E | 35.8 | Very low | 33.8 | Very low | 190 Ų | 190 | 149.1 Ų | 149.1 | 89% | 0.888 | 82% | 0.816 | S | S | * | * | trans | -93.7 | -161.6 | -166.2 | -66.3 | 176 | 98.1 | 0 | 0 | 112.6 | ||||
| 357 | D | 33 | Very low | 33.2 | Very low | 152 Ų | 152 | 143 Ų | 143 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | 73.9 | 127.6 | -178.1 | -71.8 | -29 | 0 | 0 | 0 | 116.4 | ||||
| 358 | T | 35.2 | Very low | 33.7 | Very low | 126 Ų | 126 | 140.2 Ų | 140.2 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | -154.6 | 168.7 | -0.9 | -16.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 359 | D | 31.8 | Very low | 33.8 | Very low | 153 Ų | 153 | 142 Ų | 142 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | 96.3 | 141.3 | 149.3 | -154.9 | 25.1 | 0 | 0 | 0 | 119.9 | ||||
| 360 | A | 36.2 | Very low | 33.6 | Very low | 92 Ų | 92 | 137.5 Ų | 137.5 | 76% | 0.76 | 81% | 0.807 | S | S | * | * | trans | 36.2 | 134.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 361 | G | 34.2 | Very low | 33.4 | Very low | 67 Ų | 67 | 142.7 Ų | 142.7 | 69% | 0.691 | 81% | 0.813 | S | S | * | * | cis | 156.1 | 141.6 | 0.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 362 | D | 34.3 | Very low | 34.5 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 97% | 0.968 | 80% | 0.801 | S | S | * | * | trans | 57 | 148.8 | -172.8 | -67.9 | -35.5 | 0 | 0 | 0 | 116.2 | ||||
| 363 | G | 31.8 | Very low | 34.5 | Very low | 60 Ų | 60 | 137 Ų | 137 | 62% | 0.619 | 80% | 0.795 | S | S | * | * | cis | 174.4 | 155.6 | -7.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 364 | L | 37.6 | Very low | 34.7 | Very low | 176 Ų | 176 | 131 Ų | 131 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | 61 | 104.2 | 163.7 | -52.2 | 179.6 | 0 | 0 | 0 | 119.3 | ||||
| 365 | T | 34.2 | Very low | 34.7 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | -56 | 150.1 | 139.7 | 7.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 366 | P | 38.7 | Very low | 34.7 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | -154.1 | 169.2 | 79.4 | 42.5 | -23.9 | 0 | 0 | 0 | 117.9 | |||||
| 367 | S | 29.2 | Very low | 34.6 | Very low | 107 Ų | 107 | 128.9 Ų | 128.9 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -98.1 | -179.8 | 156.2 | -40.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 368 | P | 48.3 | Very low | 34.8 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | cis | -137.7 | -173.2 | -2 | 43 | -25.1 | 0 | 0 | 0 | 115.3 | ||||
| 369 | N | 31.3 | Very low | 35.9 | Very low | 167 Ų | 167 | 127 Ų | 127 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | 57 | 128.3 | 154.8 | -74.2 | 8.5 | 0 | 0 | 0 | 122.2 | ||||
| 370 | G | 27.4 | Very low | 36.3 | Very low | 78 Ų | 78 | 126 Ų | 126 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -175.7 | 129.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 371 | Y | 26.7 | Very low | 36.2 | Very low | 223 Ų | 223 | 128.3 Ų | 128.3 | 88% | 0.875 | 77% | 0.767 | S | S | * | * | trans | -148.6 | 170.6 | -179.9 | -131.7 | -112.7 | 0 | 0 | 0 | 106.9 | ||||
| 372 | P | 53.8 | Low | 36 | Very low | 95 Ų | 95 | 131 Ų | 131 | 62% | 0.617 | 77% | 0.766 | S | S | * | * | cis | -95 | -123.2 | -10.2 | -4.8 | 29.7 | 0 | 0 | 0 | 112.4 | ||||
| 373 | E | 31.2 | Very low | 35.7 | Very low | 169 Ų | 169 | 132 Ų | 132 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | cis | -163.2 | 160.2 | 3.5 | -154.5 | 153.6 | 96.3 | 0 | 0 | 113.4 | ||||
| 374 | A | 34.1 | Very low | 35.5 | Very low | 95 Ų | 95 | 136.6 Ų | 136.6 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 35.4 | 136.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 375 | G | 30 | Very low | 35.1 | Very low | 66 Ų | 66 | 135.7 Ų | 135.7 | 68% | 0.68 | 76% | 0.761 | S | S | * | * | cis | 165.2 | 178.4 | -4.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 376 | E | 35 | Very low | 35.1 | Very low | 181 Ų | 181 | 133.3 Ų | 133.3 | 85% | 0.846 | 75% | 0.75 | S | S | * | * | trans | 70.9 | 133 | 152.9 | -54.6 | 170.5 | -161 | 0 | 0 | 116.1 | ||||
| 377 | D | 32.3 | Very low | 34.9 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 84% | 0.84 | 75% | 0.748 | S | S | * | * | cis | -140.2 | 159.9 | 13.2 | -85.1 | -62.6 | 0 | 0 | 0 | 113.8 | ||||
| 378 | D | 37.8 | Very low | 35.3 | Very low | 140 Ų | 140 | 137 Ų | 137 | 75% | 0.749 | 75% | 0.749 | S | S | * | * | trans | -147.9 | 155.4 | 161.6 | 179.9 | 45.8 | 0 | 0 | 0 | 106.2 | ||||
| 379 | P | 57.4 | Low | 34.5 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | -160 | 162.5 | 103 | 42.7 | -23.1 | 0 | 0 | 0 | 118.9 | |||||
| 380 | L | 40.8 | Very low | 34.7 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | 88.5 | 136 | 153.8 | -49.9 | -168.3 | 0 | 0 | 0 | 117.7 | ||||
| 381 | Q | 35 | Very low | 35 | Very low | 142 Ų | 142 | 140 Ų | 140 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | cis | -160.6 | 151.9 | 9.4 | -131 | 168 | -0.7 | 0 | 0 | 116.2 | ||||
| 382 | N | 29 | Very low | 35.2 | Very low | 123 Ų | 123 | 139 Ų | 139 | 66% | 0.658 | 76% | 0.761 | S | S | * | * | trans | 73.4 | 134 | 156.7 | -55.5 | -37.3 | 0 | 0 | 0 | 118.5 | ||||
| 383 | Y | 28.2 | Very low | 34 | Very low | 202 Ų | 202 | 138.5 Ų | 138.5 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | cis | -154.5 | 162.6 | -5.9 | -149.1 | -99.5 | 0 | 0 | 0 | 113 | ||||
| 384 | M | 28.3 | Very low | 33.8 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 77% | 0.768 | 78% | 0.776 | S | S | * | * | trans | -38.6 | 141.4 | 179.1 | -117.4 | 161 | 164.4 | 0 | 0 | 116.5 | ||||
| 385 | N | 27.8 | Very low | 33.6 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | cis | 86.1 | 169.3 | 44.5 | -89.1 | 11.8 | 0 | 0 | 0 | 116.9 | ||||
| 386 | S | 35.7 | Very low | 33.6 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 58% | 0.58 | 78% | 0.784 | S | S | * | * | trans | -115 | 170.3 | -138 | 45.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 387 | E | 34.5 | Very low | 33.5 | Very low | 156 Ų | 156 | 134.2 Ų | 134.2 | 73% | 0.729 | 78% | 0.779 | S | S | * | * | trans | 65.2 | 138.6 | 145.4 | 80.2 | -152.2 | 91.1 | 0 | 0 | 125.2 | ||||
| 388 | N | 37.8 | Very low | 33.5 | Very low | 147 Ų | 147 | 136.9 Ų | 136.9 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | 32.4 | 124.6 | 142.7 | -62.7 | -25.4 | 0 | 0 | 0 | 122 | ||||
| 389 | T | 31.1 | Very low | 33.2 | Very low | 149 Ų | 149 | 141 Ų | 141 | 91% | 0.914 | 78% | 0.782 | S | S | * | * | trans | -158 | 151.1 | 131.4 | -80.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 390 | A | 34.6 | Very low | 31.9 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | -97.5 | 158 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 391 | L | 33.3 | Very low | 31.3 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 94% | 0.942 | 80% | 0.795 | S | S | * | * | trans | -139.6 | 150 | 161.6 | -81.3 | -179 | 0 | 0 | 0 | 111.9 | ||||
| 392 | H | 31.9 | Very low | 31.1 | Very low | 203 Ų | 203 | 141 Ų | 141 | 94% | 0.94 | 80% | 0.801 | S | S | * | * | trans | -94.6 | 151.3 | 179.8 | -83.9 | -90.4 | 0 | 0 | 0 | 113.1 | ||||
| 393 | G | 27.9 | Very low | 31.5 | Very low | 84 Ų | 84 | 142.5 Ų | 142.5 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | 156.5 | 126.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 394 | G | 28.5 | Very low | 32.2 | Very low | 83 Ų | 83 | 137.6 Ų | 137.6 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | 145 | 72.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 395 | S | 29.5 | Very low | 32.4 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -13.7 | 136.9 | 164 | -168.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 396 | G | 29.5 | Very low | 33.1 | Very low | 77 Ų | 77 | 137.7 Ų | 137.7 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -171.6 | 128.5 | 164 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 397 | L | 33.8 | Very low | 32.9 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 73% | 0.728 | 82% | 0.816 | S | S | * | * | trans | -97.6 | 133 | -161.6 | -99.8 | 71.9 | 0 | 0 | 0 | 117.8 | ||||
| 398 | R | 31.7 | Very low | 32.9 | Very low | 213 Ų | 213 | 149.2 Ų | 149.2 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | 74.9 | 142.9 | 135.1 | -68.7 | -171.8 | -169.9 | -77.7 | 6.3 | 124.5 | ||||
| 399 | R | 31.1 | Very low | 32.6 | Very low | 228 Ų | 228 | 148.9 Ų | 148.9 | 86% | 0.86 | 82% | 0.824 | S | S | * | * | trans | 86.7 | 92.6 | 140.6 | -88.8 | -174.2 | 174 | -167.5 | -0.7 | 122.2 | ||||
| 400 | S | 29.7 | Very low | 32.6 | Very low | 115 Ų | 115 | 148.1 Ų | 148.1 | 80% | 0.804 | 82% | 0.823 | S | S | * | * | 26.8 | 125.4 | 116.3 | -176.4 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 401 | G | 29.5 | Very low | 32.7 | Very low | 76 Ų | 76 | 150 Ų | 150 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | -174.4 | 126.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 402 | F | 30.6 | Very low | 33 | Very low | 181 Ų | 181 | 147.6 Ų | 147.6 | 79% | 0.794 | 82% | 0.824 | S | S | * | * | trans | -71.4 | 142.5 | -167.9 | -71.3 | -100.7 | 0 | 0 | 0 | 119.4 | ||||
| 403 | L | 36.4 | Very low | 33.1 | Very low | 153 Ų | 153 | 143 Ų | 143 | 80% | 0.801 | 81% | 0.814 | S | S | * | * | trans | 66.6 | 176.4 | 138.4 | -60.7 | 171.1 | 0 | 0 | 0 | 119.1 | ||||
| 404 | P | 43.2 | Very low | 33.8 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 64% | 0.643 | 80% | 0.804 | S | S | * | * | -139.5 | 176.7 | -75.2 | 43.5 | -27 | 0 | 0 | 0 | 116.8 | |||||
| 405 | K | 33.3 | Very low | 34.2 | Very low | 197 Ų | 197 | 148.3 Ų | 148.3 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | 71.6 | 165.3 | 164.7 | -65.1 | 172.9 | 177.7 | 171.9 | 0 | 117.2 | ||||
| 406 | P | 40.7 | Very low | 34.3 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | cis | -126.8 | 162.6 | -13 | 34.2 | -16.9 | 0 | 0 | 0 | 116.5 | ||||
| 407 | R | 31.5 | Very low | 34.6 | Very low | 234 Ų | 234 | 152.9 Ų | 152.9 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | 6.3 | 132.4 | 153.8 | -69.5 | 179.6 | 165.8 | 164 | -4.9 | 120.6 | ||||
| 408 | R | 34.6 | Very low | 34.6 | Very low | 247 Ų | 247 | 152.4 Ų | 152.4 | 93% | 0.932 | 79% | 0.786 | S | S | * | * | -147.9 | 159.7 | 121 | -109.4 | 169.4 | -169.5 | -172.4 | 2.3 | 110.8 | |||||
| 409 | N | 31.3 | Very low | 35.1 | Very low | 140 Ų | 140 | 150 Ų | 150 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -81.4 | 133.6 | -166.1 | -58.3 | -11.1 | 0 | 0 | 0 | 111.8 | ||||
| 410 | C | 32.8 | Very low | 35.5 | Very low | 133 Ų | 133 | 145 Ų | 145 | 90% | 0.899 | 78% | 0.779 | S | S | * | * | trans | -80.2 | 124 | 162.5 | -63.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 411 | V | 36.6 | Very low | 36.1 | Very low | 127 Ų | 127 | 150.2 Ų | 150.2 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -129.7 | 132.8 | 165 | -75.3 | 0 | 0 | 0 | 0 | 107.7 | S413 | V411-S413 PolarHBondContact O-N 3.13Å; V411-S413 VanDerWaalsContact O-N 3.15Å | ||
| 412 | S | 39.6 | Very low | 36.5 | Very low | 129 Ų | 129 | 152.3 Ų | 152.3 | 90% | 0.902 | 78% | 0.781 | S | S | * | * | trans | -71 | 108.1 | -175.7 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 413 | S | 33.6 | Very low | 36.7 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | -106.1 | 92 | 168.7 | -166 | 0 | 0 | 0 | 0 | 109.2 | V411 | V411-S413 PolarHBondContact O-N 3.13Å; V411-S413 VanDerWaalsContact O-N 3.15Å | ||
| 414 | V | 41.7 | Very low | 37.2 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 66% | 0.661 | 78% | 0.78 | S | S | * | * | trans | -69 | 155 | 159.8 | -178.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 415 | F | 37.2 | Very low | 36.8 | Very low | 169 Ų | 169 | 151.5 Ų | 151.5 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 73.8 | 78.3 | -174 | -47.5 | -71.7 | 0 | 0 | 0 | 115.1 | ||||
| 416 | N | 31.4 | Very low | 37.1 | Very low | 132 Ų | 132 | 150.4 Ų | 150.4 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -98.8 | 127.6 | 155.2 | -137.2 | 38.2 | 0 | 0 | 0 | 108 | D418 | N416-D418 PolarHBondContact ND2-OD2 3.23Å; N416-D418 PolarHBondContact O-N 2.86Å | ||
| 417 | F | 35.7 | Very low | 37.4 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | trans | -95.9 | 71.6 | 175.7 | -86.9 | -87 | 0 | 0 | 0 | 110.7 | F419 | F417-F419 HydrophobicContact CB-CD2 4.47Å; F417-F419 HydrophobicContact CB-CE2 4.12Å; F417-F419 HydrophobicContact CD1-CE2 4.17Å; F417-F419 HydrophobicContact CD1-CZ 4.26Å; F417-F419 PolarHBondContact O-N 3.22Å | ||
| 418 | D | 35.1 | Very low | 38.2 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 68% | 0.684 | 79% | 0.786 | S | S | * | * | trans | -75.7 | 86.8 | 173.3 | -79.1 | -66.9 | 0 | 0 | 0 | 110.9 | N416 | N416-D418 PolarHBondContact ND2-OD2 3.23Å; N416-D418 PolarHBondContact O-N 2.86Å | ||
| 419 | F | 42.1 | Very low | 39.4 | Very low | 164 Ų | 164 | 146.8 Ų | 146.8 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | trans | -68.3 | 132.5 | 166.7 | -71.3 | -83.1 | 0 | 0 | 0 | 110.2 | F417 R421 | F417-F419 HydrophobicContact CB-CD2 4.47Å; F417-F419 HydrophobicContact CB-CE2 4.12Å; F417-F419 HydrophobicContact CD1-CE2 4.17Å; F417-F419 HydrophobicContact CD1-CZ 4.26Å; F417-F419 PolarHBondContact O-N 3.22Å; F419-R421 PolarHBondContact O-N 2.99Å | ||
| 420 | P | 38.1 | Very low | 40.5 | Very low | 123 Ų | 123 | 146 Ų | 146 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -65 | 110.5 | -178.6 | 25.7 | -33.7 | 0 | 0 | 0 | 110.6 | ||||
| 421 | R | 42.6 | Very low | 41.7 | Very low | 224 Ų | 224 | 146.1 Ų | 146.1 | 85% | 0.845 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -79 | 125.8 | -179.7 | -160.4 | -173.6 | -47.8 | -127.4 | -1.2 | 109.3 | F419 | F419-R421 PolarHBondContact O-N 2.99Š|
| 422 | P | 38.7 | Very low | 42.4 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 147.2 | 166.9 | -24.8 | 35.4 | 0 | 0 | 0 | 111.2 | ||
| 423 | C | 35.6 | Very low | 43.6 | Very low | 124 Ų | 124 | 151 Ų | 151 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 172.4 | -177.7 | -106.7 | 0 | 0 | 0 | 0 | 112.9 | ||
| 424 | P | 46.9 | Very low | 44.5 | Very low | 113 Ų | 113 | 154 Ų | 154 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -92 | -168.8 | -151.2 | 36.7 | -36 | 0 | 0 | 0 | 115.2 | ||||
| 425 | E | 34.1 | Very low | 45.1 | Very low | 180 Ų | 180 | 154.2 Ų | 154.2 | 84% | 0.841 | 77% | 0.767 | S | S | * | * | trans | 70.3 | 145.1 | -171.6 | -78.3 | 179.4 | 129.2 | 0 | 0 | 114.8 | ||||
| 426 | Q | 40.1 | Very low | 45.9 | Very low | 174 Ų | 174 | 153.6 Ų | 153.6 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | cis | -119.9 | 160.2 | 15.9 | -67.1 | 170.3 | -9.4 | 0 | 0 | 113.1 | R428 | Q426-R428 PolarHBondContact O-N 3.31Š| ||
| 427 | P | 45.6 | Very low | 47.1 | Very low | 117 Ų | 117 | 154.8 Ų | 154.8 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -64.7 | 128.8 | 171.5 | 27.5 | -34.7 | 0 | 0 | 0 | 111.4 | Q429 | P427-Q429 PolarHBondContact O-N 2.93Š| ||
| 428 | R | 48.3 | Very low | 47.4 | Very low | 236 Ų | 236 | 155.3 Ų | 155.3 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | -71.4 | 115.3 | 176 | -68.5 | -177.2 | 178.2 | -176.3 | -1.2 | 110.2 | Q426 L430 | Q426-R428 PolarHBondContact O-N 3.31Å; R428-L430 PolarHBondContact O-N 2.9Å | ||
| 429 | Q | 59.5 | Low | 48 | Very low | 171 Ų | 171 | 153.6 Ų | 153.6 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | trans | -63.5 | 119.6 | 171.9 | -177.1 | 173.5 | -6.9 | 0 | 0 | 110.2 | P427 | P427-Q429 PolarHBondContact O-N 2.93Š| ||
| 430 | L | 55.7 | Low | 47.7 | Very low | 123 Ų | 123 | 154.2 Ų | 154.2 | 64% | 0.644 | 79% | 0.786 | S | S | * | * | trans | -92.7 | 117.5 | 174.9 | -65 | 176.7 | 0 | 0 | 0 | 109.5 | R428 Y432 | R428-L430 PolarHBondContact O-N 2.9Å; L430-Y432 HydrophobicContact CB-CD2 4.35Å; L430-Y432 HydrophobicContact CB-CE2 3.81Å; L430-Y432 HydrophobicContact CD1-CE2 4.42Å; L430-Y432 PolarHBondContact O-N 3.08Å | ||
| 431 | N | 56.7 | Low | 48 | Very low | 136 Ų | 136 | 152.4 Ų | 152.4 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | -87.8 | 104.1 | 173 | -66.7 | -35.4 | 0 | 0 | 0 | 109.2 | ||||
| 432 | Y | 52 | Low | 47.9 | Very low | 201 Ų | 201 | 150 Ų | 150 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | -81.6 | 132.8 | 171.5 | -68 | -89.6 | 0 | 0 | 0 | 110.1 | L430 | L430-Y432 HydrophobicContact CB-CD2 4.35Å; L430-Y432 HydrophobicContact CB-CE2 3.81Å; L430-Y432 HydrophobicContact CD1-CE2 4.42Å; L430-Y432 PolarHBondContact O-N 3.08Å | ||
| 433 | I | 65.6 | Low | 47.7 | Very low | 157 Ų | 157 | 154.1 Ų | 154.1 | 81% | 0.805 | 78% | 0.777 | S | S | * | * | trans | -104.1 | 108.2 | 165.5 | -58.2 | 176.7 | 0 | 0 | 0 | 106.5 | V435 | I433-V435 HydrophobicContact CG2-CG2 4.12Š| ||
| 434 | Q | 51 | Low | 47.5 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | trans | -89.7 | 113.5 | 171.5 | -176 | 162 | -31 | 0 | 0 | 108.2 | ||||
| 435 | V | 54.2 | Low | 47 | Very low | 112 Ų | 112 | 154 Ų | 154 | 68% | 0.679 | 77% | 0.769 | S | S | * | * | trans | -92 | 105.2 | 176.4 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | I433 L437 | I433-V435 HydrophobicContact CG2-CG2 4.12Å; V435-L437 PolarHBondContact O-N 2.78Å | ||
| 436 | E | 54.2 | Low | 47.1 | Very low | 157 Ų | 157 | 153 Ų | 153 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -81.3 | 112.7 | 177 | -164.8 | 143.4 | -123.5 | 0 | 0 | 109.3 | ||||
| 437 | L | 57.8 | Low | 46.6 | Very low | 157 Ų | 157 | 150.8 Ų | 150.8 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -96.7 | 87.7 | 177.1 | -73.9 | 168.9 | 0 | 0 | 0 | 108.8 | V435 A439 | V435-L437 PolarHBondContact O-N 2.78Å; L437-A439 PolarHBondContact O-N 2.86Å | ||
| 438 | E | 40.8 | Very low | 45.8 | Very low | 174 Ų | 174 | 153.4 Ų | 153.4 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -63 | 132.3 | 172.5 | -68.7 | -162 | 153.8 | 0 | 0 | 111.1 | ||||
| 439 | A | 48.2 | Very low | 45.4 | Very low | 93 Ų | 93 | 147.3 Ų | 147.3 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -128.1 | 80.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | L437 | L437-A439 PolarHBondContact O-N 2.86Š| ||
| 440 | E | 36.4 | Very low | 44.1 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -76.7 | 142 | -175 | -94.3 | -67.3 | 98.5 | 0 | 0 | 114.1 | ||||
| 441 | P | 43.8 | Very low | 43.8 | Very low | 84 Ų | 84 | 144.9 Ų | 144.9 | 55% | 0.545 | 76% | 0.759 | S | S | . | * | trans | -108.1 | 130.1 | -164.3 | 38.6 | -33.8 | 0 | 0 | 0 | 118.2 | ||||
| 442 | H | 40.4 | Very low | 42.5 | Very low | 175 Ų | 175 | 147.2 Ų | 147.2 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | 68.4 | 112.2 | 129.3 | -71.9 | 50.2 | 0 | 0 | 0 | 122.5 | |||||
| 443 | K | 35.1 | Very low | 41.7 | Very low | 204 Ų | 204 | 141.9 Ų | 141.9 | 89% | 0.887 | 76% | 0.762 | S | S | * | * | trans | -167.6 | 161 | 141.3 | -85.2 | 122.4 | -156.9 | 168.5 | 0 | 108.2 | ||||
| 444 | G | 30.2 | Very low | 40.5 | Very low | 53 Ų | 53 | 140 Ų | 140 | 55% | 0.546 | 76% | 0.761 | S | S | . | * | cis | 107.2 | 122.1 | -2.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 445 | H | 36.5 | Very low | 40.1 | Very low | 182 Ų | 182 | 137.7 Ų | 137.7 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | cis | -155 | -179.1 | -5.1 | -52.6 | -91.3 | 0 | 0 | 0 | 107.7 | ||||
| 446 | Q | 36.9 | Very low | 39.9 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | cis | -161.5 | 158.7 | 3.7 | -146.5 | -170.6 | 95.4 | 0 | 0 | 111.5 | ||||
| 447 | N | 29.1 | Very low | 38.7 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | 25.6 | 122.1 | 151.1 | -68.1 | -27.4 | 0 | 0 | 0 | 123.9 | ||||
| 448 | L | 28.3 | Very low | 37.4 | Very low | 173 Ų | 173 | 134.1 Ų | 134.1 | 91% | 0.906 | 77% | 0.768 | S | S | * | * | -167.8 | 156 | 122.1 | -131.6 | 74.6 | 0 | 0 | 0 | 112 | |||||
| 449 | P | 40 | Very low | 37.6 | Very low | 108 Ų | 108 | 135 Ų | 135 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | -128.7 | 136.6 | -173.2 | 38 | -21.9 | 0 | 0 | 0 | 118.5 | ||||
| 450 | V | 34.1 | Very low | 37 | Very low | 139 Ų | 139 | 139.2 Ų | 139.2 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | trans | 66.1 | 158.8 | 138.8 | 178.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 451 | P | 48 | Very low | 37 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | cis | -119.3 | 175 | -17.5 | 36.9 | -22.4 | 0 | 0 | 0 | 114.7 | ||||
| 452 | H | 30.2 | Very low | 36.9 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | -173.1 | 147.6 | 124.6 | -109.8 | -75.5 | 0 | 0 | 0 | 112.7 | |||||
| 453 | A | 34.2 | Very low | 37.1 | Very low | 89 Ų | 89 | 144.8 Ų | 144.8 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -144 | 146.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 454 | P | 40.7 | Very low | 37.7 | Very low | 119 Ų | 119 | 141.3 Ų | 141.3 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | -153.9 | -174.9 | 109 | 38.4 | -19 | 0 | 0 | 0 | 114.1 | |||||
| 455 | P | 43.7 | Very low | 38.4 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 79% | 0.786 | 79% | 0.785 | S | S | * | * | -129.4 | -138.2 | -53.5 | 46.6 | -29.8 | 0 | 0 | 0 | 110 | |||||
| 456 | P | 48.4 | Very low | 39.3 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -121.2 | 167.3 | -145.9 | 29.6 | -4.5 | 0 | 0 | 0 | 117.1 | ||||
| 457 | A | 30.2 | Very low | 40.8 | Very low | 90 Ų | 90 | 142.2 Ų | 142.2 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -148.8 | 125 | 165 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 458 | T | 31.1 | Very low | 42.6 | Very low | 135 Ų | 135 | 140.5 Ų | 140.5 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | trans | 38.9 | 124.8 | 149.3 | 52.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 459 | H | 43.2 | Very low | 44.5 | Very low | 193 Ų | 193 | 139.2 Ų | 139.2 | 89% | 0.894 | 79% | 0.787 | S | S | * | * | trans | -62.6 | 143 | 159.5 | -73.9 | -117.5 | 0 | 0 | 0 | 111.6 | ||||
| 460 | E | 35.8 | Very low | 46 | Very low | 181 Ų | 181 | 139.8 Ų | 139.8 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | -127.5 | 135.7 | 158.8 | -94.2 | -63.2 | 166.3 | 0 | 0 | 109.3 | ||||
| 461 | A | 37.5 | Very low | 47.9 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | trans | -93.6 | 116.5 | -169 | 0 | 0 | 0 | 0 | 0 | 111.3 | R463 | A461-R463 PolarHBondContact O-N 3Š| ||
| 462 | R | 41.9 | Very low | 49.1 | Very low | 249 Ų | 249 | 139 Ų | 139 | 94% | 0.94 | 77% | 0.768 | S | S | * | * | trans | -65.9 | 93.2 | 173.4 | -78.3 | -171.7 | 174 | -178.9 | -0.9 | 111.3 | ||||
| 463 | R | 44.8 | Very low | 51.2 | Low | 221 Ų | 221 | 138.7 Ų | 138.7 | 83% | 0.834 | 76% | 0.764 | S | S | * | * | trans | -71.8 | 135.6 | 159.9 | -69.6 | -169 | 173.8 | -143.2 | -1.9 | 109.6 | A461 D465 | A461-R463 PolarHBondContact O-N 3Å; R463-D465 PolarHBondContact O-N 3.16Å | ||
| 464 | T | 47.1 | Very low | 52.8 | Low | 132 Ų | 132 | 141.3 Ų | 141.3 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | trans | -87.7 | 86.5 | 172.7 | 47.5 | 0 | 0 | 0 | 0 | 109.5 | S466 | T464-S466 VanDerWaalsContact C-N 3.34Å; T464-S466 PolarHBondContact O-N 3.25Å | ||
| 465 | D | 44.8 | Very low | 54.2 | Low | 104 Ų | 104 | 138.9 Ų | 138.9 | 56% | 0.556 | 74% | 0.742 | S | S | * | * | trans | -75.3 | 81.1 | 179.5 | -88.4 | 26.4 | 0 | 0 | 0 | 111.6 | R463 Y467 | R463-D465 PolarHBondContact O-N 3.16Å; D465-Y467 HydrophobicContact CB-CD2 4.08Å; D465-Y467 HydrophobicContact CB-CE2 3.71Å; D465-Y467 PolarHBondContact O-N 3.26Å; D465-Y467 VanDerWaalsContact O-N 3.12Å; D465-Y467 WeakPolarHBondContact OD2-CE2 3.43Å | ||
| 466 | S | 55.3 | Low | 55.3 | Low | 117 Ų | 117 | 135.6 Ų | 135.6 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | trans | -82.9 | 71.9 | -179.2 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | T464 | T464-S466 VanDerWaalsContact C-N 3.34Å; T464-S466 PolarHBondContact O-N 3.25Å | ||
| 467 | Y | 67.6 | Low | 55.9 | Low | 191 Ų | 191 | 132.3 Ų | 132.3 | 75% | 0.749 | 71% | 0.708 | S | S | * | * | trans | -76.5 | 125.4 | 175.2 | -68 | -77.4 | 0 | 0 | 0 | 112.9 | D465 | D465-Y467 HydrophobicContact CB-CD2 4.08Å; D465-Y467 HydrophobicContact CB-CE2 3.71Å; D465-Y467 PolarHBondContact O-N 3.26Å; D465-Y467 VanDerWaalsContact O-N 3.12Å; D465-Y467 WeakPolarHBondContact OD2-CE2 3.43Å | ||
| 468 | A | 68.4 | Low | 57.3 | Low | 92 Ų | 92 | 133.5 Ų | 133.5 | 76% | 0.76 | 70% | 0.7 | S | S | * | * | trans | -85.4 | 118.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | I470 | A468-I470 PolarHBondContact O-N 3.42Š| ||
| 469 | V | 68.3 | Low | 58.9 | Low | 146 Ų | 146 | 129.8 Ų | 129.8 | 89% | 0.885 | 68% | 0.68 | S | S | * | * | trans | -81.7 | 112.3 | 176.6 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 470 | I | 70.2 | Confident | 59.8 | Low | 119 Ų | 119 | 126 Ų | 126 | 61% | 0.61 | 67% | 0.666 | S | S | * | * | trans | -86.2 | 122.8 | 175 | -58.1 | 175.6 | 0 | 0 | 0 | 109.1 | A468 L472 | A468-I470 PolarHBondContact O-N 3.42Å; I470-L472 WeakPolarHBondContact O-CD1 3.43Å; I470-L472 PolarHBondContact O-N 3.48Å | ||
| 471 | D | 75.4 | Confident | 60.9 | Low | 87 Ų | 87 | 123.8 Ų | 123.8 | 47% | 0.465 | 66% | 0.659 | S | S | . | * | trans | -80.1 | 104 | 170.5 | 178 | -4.1 | 0 | 0 | 0 | 110.3 | K473 K474 T475 | D471-K473 PolarHBondContact O-N 3.13Å; D471-K473 WeakPolarHBondContact OD1-CA 3.5Å; D471-K473 WeakPolarHBondContact OD1-CB 3.47Å; D471-K473 PolarHBondContact OD1-N 3.03Å; D471-K474 HydrophobicContact CB-CB 3.9Å; D471-K474 PolarHBondContact O-N 3.13Å; D471-K474 VanDerWaalsContact O-N 3.13Å; D471-K474 PolarHBondContact OD1-N 3.06Å; D471-T475 PolarHBondContact O-N 2.89Å; D471-T475 PolarHBondContact O-OG1 3.08Å | ||
| 472 | L | 73.1 | Confident | 62 | Low | 140 Ų | 140 | 128.1 Ų | 128.1 | 73% | 0.733 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -58.4 | -31 | 179.4 | -76.7 | 78.7 | 0 | 0 | 0 | 113.1 | I470 A476 | I470-L472 WeakPolarHBondContact O-CD1 3.43Å; I470-L472 PolarHBondContact O-N 3.48Å; L472-A476 WeakPolarHBondContact O-CB 3.25Å; L472-A476 PolarHBondContact O-N 3.37Å |
| 473 | K | 74.3 | Confident | 62.8 | Low | 178 Ų | 178 | 125.8 Ų | 125.8 | 77% | 0.774 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -70.5 | -40.4 | 178.2 | -62.6 | -178.7 | 179 | 178.4 | 0 | 110.6 | D471 A476 A477 | D471-K473 PolarHBondContact O-N 3.13Å; D471-K473 WeakPolarHBondContact OD1-CA 3.5Å; D471-K473 WeakPolarHBondContact OD1-CB 3.47Å; D471-K473 PolarHBondContact OD1-N 3.03Å; K473-A476 PolarHBondContact O-N 2.76Å; K473-A477 PolarHBondContact O-N 2.85Å |
| 474 | K | 66.8 | Low | 63.4 | Low | 144 Ų | 144 | 118.8 Ų | 118.8 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.3 | -39.9 | 176 | -159.3 | 172 | -173.6 | 178 | 0 | 111.8 | D471 A477 M478 | D471-K474 HydrophobicContact CB-CB 3.9Å; D471-K474 PolarHBondContact O-N 3.13Å; D471-K474 VanDerWaalsContact O-N 3.13Å; D471-K474 PolarHBondContact OD1-N 3.06Å; K474-A477 PolarHBondContact O-N 2.96Å; K474-M478 PolarHBondContact O-N 3.24Å |
| 475 | T | 71.3 | Confident | 64 | Low | 67 Ų | 67 | 119.7 Ų | 119.7 | 41% | 0.411 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -63.6 | -41.7 | 173.8 | -58 | 0 | 0 | 0 | 0 | 112.2 | D471 A477 M478 S479 | D471-T475 PolarHBondContact O-N 2.89Å; D471-T475 PolarHBondContact O-OG1 3.08Å; T475-A477 VanDerWaalsContact C-N 3.33Å; T475-A477 PolarHBondContact O-N 2.86Å; T475-M478 PolarHBondContact O-N 2.81Å; T475-S479 PolarHBondContact O-N 3.31Å |
| 476 | A | 66.3 | Low | 64.4 | Low | 53 Ų | 53 | 120.8 Ų | 120.8 | 44% | 0.438 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -61.7 | -38.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | L472 K473 S479 N480 | L472-A476 WeakPolarHBondContact O-CB 3.25Å; L472-A476 PolarHBondContact O-N 3.37Å; K473-A476 PolarHBondContact O-N 2.76Å; A476-S479 PolarHBondContact O-N 3.19Å; A476-N480 PolarHBondContact O-N 3.41Å; A476-N480 VanDerWaalsContact O-N 3.17Å; A476-N480 PolarHBondContact O-ND2 3.12Å |
| 477 | A | 60.5 | Low | 64.5 | Low | 57 Ų | 57 | 125.6 Ų | 125.6 | 47% | 0.471 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -61.9 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | K473 K474 T475 N480 L481 | K473-A477 PolarHBondContact O-N 2.85Å; K474-A477 PolarHBondContact O-N 2.96Å; T475-A477 VanDerWaalsContact C-N 3.33Å; T475-A477 PolarHBondContact O-N 2.86Å; A477-N480 PolarHBondContact O-N 2.74Å; A477-L481 PolarHBondContact O-N 3.37Å |
| 478 | M | 59.1 | Low | 63.8 | Low | 114 Ų | 114 | 123.4 Ų | 123.4 | 56% | 0.562 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -67.5 | -37.8 | 176.9 | -62.4 | -166.4 | -56.4 | 0 | 0 | 112.6 | K474 T475 N480 L481 Q482 | K474-M478 PolarHBondContact O-N 3.24Å; T475-M478 PolarHBondContact O-N 2.81Å; M478-N480 VanDerWaalsContact C-N 3.3Å; M478-N480 PolarHBondContact O-N 2.79Å; M478-L481 WeakPolarHBondContact O-CB 3.34Å; M478-L481 PolarHBondContact O-N 2.97Å; M478-L481 VanDerWaalsContact O-N 3.17Å; M478-Q482 PolarHBondContact O-N 3.35Å |
| 479 | S | 66.1 | Low | 63.3 | Low | 58 Ų | 58 | 125 Ų | 125 | 41% | 0.406 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -61.7 | -36.8 | 177 | -172.5 | 0 | 0 | 0 | 0 | 112.5 | T475 A476 Q482 R483 | T475-S479 PolarHBondContact O-N 3.31Å; A476-S479 PolarHBondContact O-N 3.19Å; S479-Q482 PolarHBondContact O-N 3.04Å; S479-R483 WeakPolarHBondContact O-CG 3.49Å; S479-R483 PolarHBondContact O-N 3.21Å |
| 480 | N | 60.5 | Low | 62.9 | Low | 113 Ų | 113 | 120.8 Ų | 120.8 | 60% | 0.604 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.6 | -33.5 | 175.3 | -75.4 | -30.2 | 0 | 0 | 0 | 113 | A476 A477 M478 R483 | A476-N480 PolarHBondContact O-N 3.41Å; A476-N480 VanDerWaalsContact O-N 3.17Å; A476-N480 PolarHBondContact O-ND2 3.12Å; A477-N480 PolarHBondContact O-N 2.74Å; M478-N480 VanDerWaalsContact C-N 3.3Å; M478-N480 PolarHBondContact O-N 2.79Å; N480-R483 PolarHBondContact O-N 2.85Å |
| 481 | L | 59.6 | Low | 62.3 | Low | 134 Ų | 134 | 120.9 Ų | 120.9 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.2 | -39.8 | 174.3 | -66.6 | 172.6 | 0 | 0 | 0 | 111.7 | A477 M478 R483 A484 | A477-L481 PolarHBondContact O-N 3.37Å; M478-L481 WeakPolarHBondContact O-CB 3.34Å; M478-L481 PolarHBondContact O-N 2.97Å; M478-L481 VanDerWaalsContact O-N 3.17Å; L481-R483 PolarHBondContact O-N 3.07Å; L481-R483 VanDerWaalsContact O-N 3.14Å; L481-A484 WeakPolarHBondContact O-CB 3.48Å; L481-A484 PolarHBondContact O-N 2.85Å; L481-A484 VanDerWaalsContact O-N 3.13Å |
| 482 | Q | 60.5 | Low | 61.2 | Low | 175 Ų | 175 | 121.4 Ų | 121.4 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -10.2 | 175.5 | -67.3 | -176.9 | -54.5 | 0 | 0 | 114.1 | M478 S479 | M478-Q482 PolarHBondContact O-N 3.35Å; S479-Q482 PolarHBondContact O-N 3.04Å |
| 483 | R | 59.4 | Low | 60.6 | Low | 199 Ų | 199 | 125.8 Ų | 125.8 | 75% | 0.751 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -0.2 | 176.1 | -63.6 | 177.9 | 70.2 | 93.9 | 2.6 | 113.2 | S479 N480 L481 L485 | S479-R483 WeakPolarHBondContact O-CG 3.49Å; S479-R483 PolarHBondContact O-N 3.21Å; N480-R483 PolarHBondContact O-N 2.85Å; L481-R483 PolarHBondContact O-N 3.07Å; L481-R483 VanDerWaalsContact O-N 3.14Å; R483-L485 PolarHBondContact O-N 2.72Å; R483-L485 VanDerWaalsContact O-N 3.11Å |
| 484 | A | 56 | Low | 60 | Low | 74 Ų | 74 | 126.9 Ų | 126.9 | 61% | 0.612 | 67% | 0.67 | S | S | * | * | trans | -77.1 | 93 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | L481 | L481-A484 WeakPolarHBondContact O-CB 3.48Å; L481-A484 PolarHBondContact O-N 2.85Å; L481-A484 VanDerWaalsContact O-N 3.13Å | ||
| 485 | L | 61.3 | Low | 59.7 | Low | 152 Ų | 152 | 125.3 Ų | 125.3 | 80% | 0.796 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 146.1 | 163.9 | -75.5 | 167.7 | 0 | 0 | 0 | 109.8 | R483 R487 | R483-L485 PolarHBondContact O-N 2.72Å; R483-L485 VanDerWaalsContact O-N 3.11Å; L485-R487 PolarHBondContact O-N 2.68Å |
| 486 | P | 53.6 | Low | 58.8 | Low | 126 Ų | 126 | 133.7 Ų | 133.7 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 116.2 | 175 | -25.7 | 34.7 | 0 | 0 | 0 | 110.9 | D488 | P486-D488 PolarHBondContact O-N 2.71Š|
| 487 | R | 56.6 | Low | 58.2 | Low | 218 Ų | 218 | 139.1 Ų | 139.1 | 82% | 0.823 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 118.3 | 164 | -78.1 | -76.1 | -178.5 | 158.7 | -0.6 | 106.8 | L485 D489 | L485-R487 PolarHBondContact O-N 2.68Å; R487-D489 PolarHBondContact O-N 3.36Å |
| 488 | D | 53.6 | Low | 57.4 | Low | 145 Ų | 145 | 143.2 Ų | 143.2 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | trans | -72.3 | 75.4 | 165.8 | -167.6 | 61 | 0 | 0 | 0 | 108.5 | P486 G490 | P486-D488 PolarHBondContact O-N 2.71Å; D488-G490 VanDerWaalsContact C-N 3.26Å; D488-G490 PolarHBondContact O-N 3.11Å | ||
| 489 | D | 56.5 | Low | 56.9 | Low | 125 Ų | 125 | 142.9 Ų | 142.9 | 67% | 0.668 | 74% | 0.735 | S | S | * | * | trans | -68.8 | 92.2 | 165.4 | -84.6 | -38.8 | 0 | 0 | 0 | 106.9 | R487 T491 | R487-D489 PolarHBondContact O-N 3.36Å; D489-T491 PolarHBondContact O-N 3.3Å; D489-T491 PolarHBondContact O-OG1 3.13Å | ||
| 490 | G | 59.8 | Low | 56 | Low | 59 Ų | 59 | 145.6 Ų | 145.6 | 61% | 0.608 | 75% | 0.749 | S | S | * | * | trans | -59 | 24.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | D488 S492 | D488-G490 VanDerWaalsContact C-N 3.26Å; D488-G490 PolarHBondContact O-N 3.11Å; G490-S492 PolarHBondContact O-N 2.87Å | ||
| 491 | T | 58.3 | Low | 55.4 | Low | 121 Ų | 121 | 147.6 Ų | 147.6 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | -67.3 | 28 | 165.8 | 63.1 | 0 | 0 | 0 | 0 | 113.7 | D489 R493 | D489-T491 PolarHBondContact O-N 3.3Å; D489-T491 PolarHBondContact O-OG1 3.13Å; T491-R493 PolarHBondContact O-N 2.82Å | ||
| 492 | S | 53.1 | Low | 54.7 | Low | 97 Ų | 97 | 148.7 Ų | 148.7 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | trans | -49.8 | 106.9 | 174.2 | -72.3 | 0 | 0 | 0 | 0 | 110.6 | G490 K494 | G490-S492 PolarHBondContact O-N 2.87Å; S492-K494 PolarHBondContact O-N 3.14Å | ||
| 493 | R | 60.1 | Low | 54.7 | Low | 233 Ų | 233 | 146 Ų | 146 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -63.3 | 94.5 | -175.2 | -76.8 | 179.4 | 162.6 | -164.5 | -5.4 | 110.7 | T491 T495 | T491-R493 PolarHBondContact O-N 2.82Å; R493-T495 PolarHBondContact O-N 3.14Å | ||
| 494 | K | 60.8 | Low | 53.7 | Low | 201 Ų | 201 | 148.3 Ų | 148.3 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | trans | -61.9 | 93 | 176.5 | -171.9 | 170.7 | -179 | 173.7 | 0 | 110.6 | S492 | S492-K494 PolarHBondContact O-N 3.14Š| ||
| 495 | T | 61.6 | Low | 53.6 | Low | 110 Ų | 110 | 152.1 Ų | 152.1 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | trans | -67.3 | 149.2 | 175.5 | 51 | 0 | 0 | 0 | 0 | 110.5 | R493 H497 | R493-T495 PolarHBondContact O-N 3.14Å; T495-H497 PolarHBondContact O-N 2.98Å | ||
| 496 | R | 52.8 | Low | 53.2 | Low | 243 Ų | 243 | 152.1 Ų | 152.1 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -78.3 | 37 | -172.4 | -76 | -174.2 | 160.2 | -147.5 | -3 | 114.3 | ||
| 497 | H | 52.4 | Low | 53.2 | Low | 167 Ų | 167 | 153.5 Ų | 153.5 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | trans | -132.9 | 47.4 | -174.6 | -62.4 | -59 | 0 | 0 | 0 | 113.6 | T495 | T495-H497 PolarHBondContact O-N 2.98Š| ||
| 498 | N | 44.3 | Very low | 53 | Low | 143 Ų | 143 | 149.7 Ų | 149.7 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | -155.7 | 122.3 | 147.6 | -130.9 | -40.6 | 0 | 0 | 0 | 110.7 | ||||
| 499 | S | 47.2 | Very low | 53 | Low | 107 Ų | 107 | 150 Ų | 150 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | -155.2 | 80.6 | 176.3 | 58.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 500 | T | 48.1 | Very low | 52.7 | Low | 116 Ų | 116 | 151.7 Ų | 151.7 | 71% | 0.712 | 81% | 0.806 | S | S | * | * | trans | -119.1 | 55.7 | 176.2 | -47 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 501 | D | 48.8 | Very low | 52.2 | Low | 155 Ų | 155 | 158.3 Ų | 158.3 | 83% | 0.829 | 82% | 0.82 | S | S | * | * | trans | -84.8 | 111 | 167.8 | -69.9 | -64.2 | 0 | 0 | 0 | 108.3 | ||||
| 502 | L | 45 | Very low | 51.8 | Low | 157 Ų | 157 | 161.2 Ų | 161.2 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | trans | -99.8 | 133.2 | 164.4 | -77.9 | 169.6 | 0 | 0 | 0 | 108.1 | ||||
| 503 | P | 59.3 | Low | 51.7 | Low | 119 Ų | 119 | 166.5 Ų | 166.5 | 77% | 0.773 | 84% | 0.838 | S | S | * | * | trans | -80.7 | 140.7 | -174.3 | 32.3 | -35.1 | 0 | 0 | 0 | 112.4 | ||||
| 504 | L | 39.5 | Very low | 50.9 | Low | 247 Ų | 247 | 160.5 Ų | 160.5 | 100% | 1.293 | 84% | 0.835 | S | S | * | * | trans | -157.3 | 0 | 155.7 | -110.1 | 166 | 0 | 0 | 0 | 109.6 |
Retrieved 504 of 504 residues in 142.1 ms
(Link to these results)