| 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 | 51.4 | Low | 51.4 | Low | 249 Ų | 249 | 155.6 Ų | 155.6 | 100% | 1.227 | 85% | 0.853 | S | S | * | * | 0 | 108.6 | 0 | -80.7 | 170.4 | 157 | 0 | 0 | 106.9 | |||||
| 2 | L | 50.8 | Low | 51.8 | Low | 173 Ų | 173 | 148.3 Ų | 148.3 | 91% | 0.906 | 82% | 0.821 | S | S | * | * | trans | -82.7 | 151.1 | -170.6 | -74 | 161.7 | 0 | 0 | 0 | 111.4 | ||||
| 3 | P | 51.9 | Low | 52.3 | Low | 121 Ų | 121 | 144.8 Ų | 144.8 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | trans | -81.9 | 146.2 | -174.5 | 33.3 | -32.8 | 0 | 0 | 0 | 112.5 | K5 | P3-K5 PolarHBondContact O-N 3.26Š| ||
| 4 | N | 53 | Low | 52.5 | Low | 170 Ų | 170 | 137.3 Ų | 137.3 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | trans | -72.3 | 109.9 | 178.6 | -88.9 | -24 | 0 | 0 | 0 | 112.2 | ||||
| 5 | K | 54 | Low | 52.7 | Low | 191 Ų | 191 | 135.5 Ų | 135.5 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | 31.5 | 113.4 | 132 | -136.2 | 170.3 | -176.2 | -179.1 | 0 | 118.9 | P3 | P3-K5 PolarHBondContact O-N 3.26Š| ||
| 6 | S | 51 | Low | 52.6 | Low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | trans | -46.3 | 129.8 | 161.8 | 51.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 7 | E | 50.1 | Low | 52.6 | Low | 196 Ų | 196 | 133.6 Ų | 133.6 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | trans | -76.7 | 113.2 | 156.8 | -72.3 | -178.9 | 158.3 | 0 | 0 | 109.1 | ||||
| 8 | S | 50.4 | Low | 52.8 | Low | 112 Ų | 112 | 130.7 Ų | 130.7 | 78% | 0.783 | 73% | 0.73 | S | S | * | * | trans | -83.6 | 110.8 | 172 | 55.7 | 0 | 0 | 0 | 0 | 109.7 | A10 | S8-A10 PolarHBondContact O-N 3.3Š| ||
| 9 | F | 48.1 | Very low | 52.7 | Low | 202 Ų | 202 | 133.9 Ų | 133.9 | 89% | 0.886 | 73% | 0.73 | S | S | * | * | trans | -76.4 | 101.1 | 170.2 | -154.9 | -95.7 | 0 | 0 | 0 | 108.7 | ||||
| 10 | A | 53.6 | Low | 52.6 | Low | 85 Ų | 85 | 132.4 Ų | 132.4 | 70% | 0.702 | 72% | 0.721 | S | S | * | * | trans | -78.9 | 123.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | S8 S12 | S8-A10 PolarHBondContact O-N 3.3Å; A10-S12 PolarHBondContact O-N 2.92Å | ||
| 11 | P | 51.4 | Low | 52.8 | Low | 106 Ų | 106 | 132.7 Ų | 132.7 | 69% | 0.688 | 72% | 0.716 | S | S | * | * | trans | -67.3 | 135.8 | 176.4 | 27.1 | -30.7 | 0 | 0 | 0 | 109.8 | V13 | P11-V13 PolarHBondContact O-N 3.5Š| ||
| 12 | S | 55.9 | Low | 53 | Low | 67 Ų | 67 | 128.8 Ų | 128.8 | 47% | 0.469 | 69% | 0.692 | S | S | . | * | trans | -61.7 | 96.4 | 175.5 | 168.4 | 0 | 0 | 0 | 0 | 110.6 | A10 G14 N15 | A10-S12 PolarHBondContact O-N 2.92Å; S12-G14 PolarHBondContact O-N 3.49Å; S12-G14 VanDerWaalsContact O-N 3.14Å; S12-N15 PolarHBondContact O-N 3.14Å; S12-N15 VanDerWaalsContact O-N 3.13Å; S12-N15 PolarHBondContact OG-N 3.39Å | ||
| 13 | V | 57.9 | Low | 53.8 | Low | 104 Ų | 104 | 126.3 Ų | 126.3 | 63% | 0.63 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -56 | -25.1 | 172.5 | 178.5 | 0 | 0 | 0 | 0 | 111.6 | P11 N15 L17 | P11-V13 PolarHBondContact O-N 3.5Å; V13-N15 PolarHBondContact O-N 3.02Å; V13-L17 HydrophobicContact CG1-CD1 4.17Å; V13-L17 PolarHBondContact O-N 3.45Å |
| 14 | G | 55.2 | Low | 55.2 | Low | 39 Ų | 39 | 125.3 Ų | 125.3 | 40% | 0.402 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -62.2 | -39.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S12 T18 | S12-G14 PolarHBondContact O-N 3.49Å; S12-G14 VanDerWaalsContact O-N 3.14Å; G14-T18 PolarHBondContact O-N 3.13Å; G14-T18 PolarHBondContact O-OG1 3.17Å |
| 15 | N | 55.4 | Low | 57.1 | Low | 111 Ų | 111 | 117.4 Ų | 117.4 | 59% | 0.594 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -75.2 | -31.6 | -175 | -71.4 | -12 | 0 | 0 | 0 | 113.2 | S12 V13 R19 | S12-N15 PolarHBondContact O-N 3.14Å; S12-N15 VanDerWaalsContact O-N 3.13Å; S12-N15 PolarHBondContact OG-N 3.39Å; V13-N15 PolarHBondContact O-N 3.02Å; N15-R19 WeakPolarHBondContact O-CB 3.35Å; N15-R19 PolarHBondContact O-N 2.84Å |
| 16 | E | 52.1 | Low | 59.1 | Low | 143 Ų | 143 | 110.8 Ų | 110.8 | 67% | 0.668 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.4 | -41 | 177.7 | -76.9 | -163.2 | 157.4 | 0 | 0 | 112.3 | R19 N20 | E16-R19 PolarHBondContact O-N 2.97Å; E16-N20 WeakPolarHBondContact O-CB 3.42Å; E16-N20 PolarHBondContact O-N 3.2Å |
| 17 | L | 52.7 | Low | 61.2 | Low | 95 Ų | 95 | 107.2 Ų | 107.2 | 50% | 0.497 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.8 | -47.7 | 175.3 | -69.1 | 173.6 | 0 | 0 | 0 | 110.5 | V13 R19 N20 F21 | V13-L17 HydrophobicContact CG1-CD1 4.17Å; V13-L17 PolarHBondContact O-N 3.45Å; L17-R19 VanDerWaalsContact C-N 3.29Å; L17-R19 PolarHBondContact O-N 3.14Å; L17-N20 PolarHBondContact O-N 3.14Å; L17-N20 VanDerWaalsContact O-N 3.14Å; L17-F21 WeakPolarHBondContact O-CD2 3.1Å; L17-F21 PolarHBondContact O-N 3.34Å |
| 18 | T | 55.1 | Low | 63.5 | Low | 81 Ų | 81 | 97.9 Ų | 97.9 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -33.7 | 177.1 | -44 | 0 | 0 | 0 | 0 | 112.5 | G14 K22 | G14-T18 PolarHBondContact O-N 3.13Å; G14-T18 PolarHBondContact O-OG1 3.17Å; T18-K22 WeakPolarHBondContact O-CG 3.49Å; T18-K22 PolarHBondContact O-N 3.29Å; T18-K22 VanDerWaalsContact O-N 3.17Å |
| 19 | R | 50.6 | Low | 65.8 | Low | 192 Ų | 192 | 96.2 Ų | 96.2 | 73% | 0.725 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.6 | -41.2 | 172.2 | -94.2 | -177.8 | 166.2 | 165.8 | -2.6 | 112.6 | N15 E16 L17 F21 K22 N23 | N15-R19 WeakPolarHBondContact O-CB 3.35Å; N15-R19 PolarHBondContact O-N 2.84Å; E16-R19 PolarHBondContact O-N 2.97Å; L17-R19 VanDerWaalsContact C-N 3.29Å; L17-R19 PolarHBondContact O-N 3.14Å; R19-F21 VanDerWaalsContact C-N 3.33Å; R19-F21 PolarHBondContact O-N 2.87Å; R19-K22 PolarHBondContact O-N 3.4Å; R19-N23 PolarHBondContact O-N 2.94Å |
| 20 | N | 52.3 | Low | 68.2 | Low | 104 Ų | 104 | 86.6 Ų | 86.6 | 56% | 0.556 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -66.8 | -34.6 | 177.5 | -85.7 | -7.7 | 0 | 0 | 0 | 112.3 | E16 L17 N23 | E16-N20 WeakPolarHBondContact O-CB 3.42Å; E16-N20 PolarHBondContact O-N 3.2Å; L17-N20 PolarHBondContact O-N 3.14Å; L17-N20 VanDerWaalsContact O-N 3.14Å; N20-N23 PolarHBondContact O-N 3.34Å |
| 21 | F | 55.4 | Low | 70.2 | Confident | 139 Ų | 139 | 82.5 Ų | 82.5 | 61% | 0.61 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -69.2 | -33.3 | 172.8 | -77.8 | -71.7 | 0 | 0 | 0 | 113 | L17 R19 N23 L24 | L17-F21 WeakPolarHBondContact O-CD2 3.1Å; L17-F21 PolarHBondContact O-N 3.34Å; R19-F21 VanDerWaalsContact C-N 3.33Å; R19-F21 PolarHBondContact O-N 2.87Å; F21-N23 PolarHBondContact O-N 3.08Å; F21-L24 PolarHBondContact O-N 3.47Å |
| 22 | K | 57 | Low | 72.2 | Confident | 166 Ų | 166 | 77.5 Ų | 77.5 | 72% | 0.722 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.5 | -21 | 174.2 | -77.6 | -179.9 | 178.5 | -175.5 | 0 | 113.7 | T18 R19 | T18-K22 WeakPolarHBondContact O-CG 3.49Å; T18-K22 PolarHBondContact O-N 3.29Å; T18-K22 VanDerWaalsContact O-N 3.17Å; R19-K22 PolarHBondContact O-N 3.4Å |
| 23 | N | 66.2 | Low | 73.9 | Confident | 122 Ų | 122 | 74.3 Ų | 74.3 | 65% | 0.652 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -15.3 | 174.7 | -72.1 | -12 | 0 | 0 | 0 | 113.3 | R19 N20 F21 G25 | R19-N23 PolarHBondContact O-N 2.94Å; N20-N23 PolarHBondContact O-N 3.34Å; F21-N23 PolarHBondContact O-N 3.08Å; N23-G25 PolarHBondContact O-N 2.95Å |
| 24 | L | 82.1 | Confident | 75.2 | Confident | 100 Ų | 100 | 70.9 Ų | 70.9 | 52% | 0.524 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -84.9 | 91.3 | 169.4 | -99.1 | 71.4 | 0 | 0 | 0 | 106.9 | F21 | F21-L24 PolarHBondContact O-N 3.47Š|
| 25 | G | 92.1 | Very high | 76.3 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | trans | -45 | 149.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N23 R94 T95 | N23-G25 PolarHBondContact O-N 2.95Å; G25-R94 WeakPolarHBondContact O-CD 3.36Å; G25-R94 WeakPolarHBondContact O-CG 3.46Å; G25-R94 PolarHBondContact O-NH1 3.49Å; G25-T95 CarbonylContact C-O 3.5Å; G25-T95 WeakPolarHBondContact CA-O 3.44Å | ||
| 26 | E | 95.9 | Very high | 77.1 | Confident | 51 Ų | 51 | 65.9 Ų | 65.9 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 128.3 | -174 | -179.1 | 65.1 | -163 | 0 | 0 | 110.5 | V52 Y53 R94 T95 | E26-V52 HydrophobicContact CG-CG2 3.8Å; E26-Y53 HydrophobicContact CB-CD1 4.41Å; E26-Y53 HydrophobicContact CB-CE1 3.79Å; E26-Y53 HydrophobicContact CB-CE2 4.38Å; E26-Y53 HydrophobicContact CG-CD1 3.67Å; E26-Y53 HydrophobicContact CG-CD2 4.25Å; E26-Y53 HydrophobicContact CG-CE1 3.55Å; E26-Y53 HydrophobicContact CG-CE2 4.14Å; E26-Y53 HydrophobicContact CG-CG 4.02Å; E26-Y53 PolarHBondContact OE1-N 3.13Å; E26-R94 CarbonylContact O-C 3.59Å; E26-R94 WeakPolarHBondContact O-CA 3.47Å; E26-T95 HydrophobicContact CB-CG2 3.97Å; E26-T95 PolarHBondContact N-O 3.26Å; E26-T95 PolarHBondContact O-N 2.86Å |
| 27 | P | 97 | Very high | 77.8 | Confident | 33 Ų | 33 | 60.4 Ų | 60.4 | 21% | 0.214 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 136.9 | 178 | 29.5 | -36.2 | 0 | 0 | 0 | 111.4 | Y29 Y91 | P27-Y29 HydrophobicContact CB-CD2 4.43Å; P27-Y29 HydrophobicContact CB-CE2 3.62Å; P27-Y29 HydrophobicContact CG-CE2 3.89Å; P27-Y91 HydrophobicContact CB-CE2 4.03Å |
| 28 | V | 97.9 | Very high | 78.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 128.5 | 174.7 | -178.3 | 0 | 0 | 0 | 0 | 108.4 | T50 V52 M92 G93 T95 V133 L136 C137 | V28-T50 HydrophobicContact CG1-CG2 3.95Å; V28-V52 HydrophobicContact CG2-CG2 4.18Å; V28-M92 HydrophobicContact CB-CB 4.45Å; V28-M92 HydrophobicContact CG1-CB 4.23Å; V28-M92 PolarHBondContact O-N 2.91Å; V28-G93 PolarHBondContact N-O 2.96Å; V28-T95 HydrophobicContact CG2-CG2 3.88Å; V28-V133 HydrophobicContact CG1-CG2 4.49Å; V28-L136 HydrophobicContact CG1-CD1 3.99Å; V28-L136 HydrophobicContact CG2-CB 4.25Å; V28-L136 HydrophobicContact CG2-CD1 4.34Å; V28-C137 HydrophobicContact CG2-CB 4.35Å |
| 29 | Y | 98.2 | Very high | 78.5 | Confident | 76 Ų | 76 | 59.5 Ų | 59.5 | 30% | 0.298 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 165.1 | 175.3 | -56.3 | -88.8 | 0 | 0 | 0 | 111.6 | P27 T50 V51 R89 L90 Y91 | P27-Y29 HydrophobicContact CB-CD2 4.43Å; P27-Y29 HydrophobicContact CB-CE2 3.62Å; P27-Y29 HydrophobicContact CG-CE2 3.89Å; Y29-T50 CarbonylContact O-C 3.57Å; Y29-V51 PolarHBondContact N-O 3.15Å; Y29-V51 PolarHBondContact O-N 3.27Å; Y29-R89 HydrophobicContact CD1-CG 3.76Å; Y29-R89 HydrophobicContact CG-CG 4Å; Y29-L90 CarbonylContact C-O 3.6Å; Y29-L90 WeakPolarHBondContact CA-O 3.38Å; Y29-Y91 HydrophobicContact CD1-CD2 4.03Å; Y29-Y91 AromaticContact CE1-CD2 3.61Å; Y29-Y91 HydrophobicContact CE1-CD2 3.61Å; Y29-Y91 HydrophobicContact CE1-CG 4.29Å |
| 30 | V | 97.8 | Very high | 78.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 124 | 165.2 | 170.4 | 0 | 0 | 0 | 0 | 108.7 | V32 T48 G49 R89 L90 M92 T129 V133 L141 | V30-V32 HydrophobicContact CG1-CG2 4.32Å; V30-T48 HydrophobicContact CG1-CG2 3.9Å; V30-G49 CarbonylContact C-O 3.49Å; V30-G49 WeakPolarHBondContact CA-O 3.47Å; V30-R89 CarbonylContact O-C 3.5Å; V30-R89 WeakPolarHBondContact O-CA 3.41Å; V30-L90 HydrophobicContact CB-CB 4.5Å; V30-L90 PolarHBondContact N-O 3.32Å; V30-L90 PolarHBondContact O-N 3.49Å; V30-M92 HydrophobicContact CB-CE 3.57Å; V30-M92 HydrophobicContact CB-CG 4.4Å; V30-M92 HydrophobicContact CG1-CE 4.42Å; V30-M92 HydrophobicContact CG2-CE 3.6Å; V30-M92 HydrophobicContact CG2-CG 3.7Å; V30-M92 HydrophobicContact CG2-SD 4.34Å; V30-T129 HydrophobicContact CB-CG2 4.41Å; V30-T129 HydrophobicContact CG1-CG2 3.83Å; V30-T129 HydrophobicContact CG2-CG2 3.62Å; V30-V133 HydrophobicContact CG2-CG2 3.61Å; V30-L141 HydrophobicContact CG1-CD1 4.13Å; V30-L141 HydrophobicContact CG2-CD1 4.24Å |
| 31 | N | 96.1 | Very high | 78.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 135.1 | 167.3 | -66.6 | -21.5 | 0 | 0 | 0 | 108.6 | Y33 T48 G49 V51 E56 M75 F86 R89 | N31-Y33 HydrophobicContact CB-CE2 3.58Å; N31-Y33 WeakPolarHBondContact CB-OH 3.27Å; N31-Y33 PolarHBondContact ND2-OH 3.11Å; N31-T48 VanDerWaalsContact O-CA 3.26Å; N31-T48 WeakPolarHBondContact O-CA 3.4Å; N31-G49 PolarHBondContact N-O 3.01Å; N31-G49 PolarHBondContact O-N 2.82Å; N31-G49 VanDerWaalsContact O-N 3.13Å; N31-V51 VanDerWaalsContact ND2-CG2 3.3Å; N31-V51 WeakPolarHBondContact ND2-CG2 3.26Å; N31-E56 WeakPolarHBondContact CB-OE1 3.29Å; N31-E56 VanDerWaalsContact ND2-CD 3.3Å; N31-E56 PolarHBondContact ND2-OE1 3.25Å; N31-E56 PolarHBondContact ND2-OE2 3.12Å; N31-M75 WeakPolarHBondContact ND2-CG 3.4Å; N31-M75 PolarHBondContact ND2-N 3.49Å; N31-F86 HydrophobicContact CB-CE2 4.05Å; N31-R89 PolarHBondContact ND2-NH2 3.18Å; N31-R89 PolarHBondContact OD1-NE 3.24Å; N31-R89 PolarHBondContact OD1-NH2 3.49Å |
| 32 | V | 94.1 | Very high | 78.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 132.2 | 175.9 | -173.5 | 0 | 0 | 0 | 0 | 108.6 | V30 Y46 T48 K87 E88 L90 W144 I145 | V30-V32 HydrophobicContact CG1-CG2 4.32Å; V32-Y46 HydrophobicContact CG1-CD1 3.73Å; V32-Y46 HydrophobicContact CG1-CG 4.18Å; V32-T48 HydrophobicContact CG1-CG2 4.4Å; V32-T48 HydrophobicContact CG2-CG2 4.14Å; V32-K87 HydrophobicContact CB-CB 4.37Å; V32-K87 HydrophobicContact CG1-CB 4.34Å; V32-K87 HydrophobicContact CG1-CD 3.99Å; V32-K87 WeakPolarHBondContact O-CA 3.47Å; V32-K87 VanDerWaalsContact O-CB 3.31Å; V32-K87 WeakPolarHBondContact O-CB 3.47Å; V32-K87 PolarHBondContact O-N 3.11Å; V32-E88 HydrophobicContact CB-CG 4.1Å; V32-E88 HydrophobicContact CG2-CG 4.13Å; V32-E88 PolarHBondContact N-O 2.92Å; V32-E88 PolarHBondContact O-N 3.13Å; V32-L90 HydrophobicContact CG2-CD1 3.76Å; V32-L90 HydrophobicContact CG2-CG 4.13Å; V32-W144 HydrophobicContact CB-CH2 4.49Å; V32-W144 HydrophobicContact CG1-CH2 3.92Å; V32-W144 HydrophobicContact CG1-CZ3 4.08Å; V32-W144 HydrophobicContact CG2-CH2 4.14Å; V32-I145 HydrophobicContact CG2-CD1 4.17Å |
| 33 | Y | 90.8 | Very high | 78.9 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 142.9 | 176.8 | -51.1 | -95.3 | 0 | 0 | 0 | 110.5 | N31 Y46 H47 E56 M75 L80 I84 S85 F86 | N31-Y33 HydrophobicContact CB-CE2 3.58Å; N31-Y33 WeakPolarHBondContact CB-OH 3.27Å; N31-Y33 PolarHBondContact ND2-OH 3.11Å; Y33-Y46 VanDerWaalsContact O-CA 3.32Å; Y33-Y46 WeakPolarHBondContact O-CA 3.19Å; Y33-H47 AromaticContact CD2-CD2 3.64Å; Y33-H47 PolarHBondContact N-O 3.49Å; Y33-H47 PolarHBondContact O-N 2.91Å; Y33-E56 WeakPolarHBondContact CE2-OE1 3.19Å; Y33-E56 VanDerWaalsContact OH-CD 3.25Å; Y33-E56 PolarHBondContact OH-OE1 3.02Å; Y33-E56 PolarHBondContact OH-OE2 3.15Å; Y33-M75 WeakPolarHBondContact OH-CA 3.48Å; Y33-M75 PolarHBondContact OH-N 2.93Å; Y33-L80 HydrophobicContact CD1-CD1 4.04Å; Y33-L80 HydrophobicContact CE1-CD1 3.78Å; Y33-L80 HydrophobicContact CE2-CD1 4.43Å; Y33-L80 HydrophobicContact CG-CD1 4.49Å; Y33-I84 HydrophobicContact CD1-CG2 4.06Å; Y33-I84 HydrophobicContact CG-CG2 4.01Å; Y33-S85 CarbonylContact C-O 2.95Å; Y33-S85 WeakPolarHBondContact CA-O 3.28Å; Y33-F86 HydrophobicContact CD1-CB 4.05Å; Y33-F86 HydrophobicContact CD1-CD2 4.17Å; Y33-F86 HydrophobicContact CE1-CB 4.14Å; Y33-F86 AromaticContact CE1-CD2 3.79Å; Y33-F86 HydrophobicContact CE1-CD2 3.79Å; Y33-F86 HydrophobicContact CE1-CG 4.47Å |
| 34 | H | 86.4 | Confident | 78.6 | Confident | 32 Ų | 32 | 42.9 Ų | 42.9 | 15% | 0.148 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 127.6 | 165 | -74.6 | -77.7 | 0 | 0 | 0 | 108.9 | H36 K42 Y46 I84 S85 K87 | H34-H36 PolarHBondContact O-CD2 2.87Å; H34-K42 HydrophobicContact CB-CD 4.31Å; H34-Y46 AromaticContact CE1-CE1 3.45Å; H34-Y46 VanDerWaalsContact CE1-CE1 3.45Å; H34-Y46 WeakPolarHBondContact CE1-CE1 3.38Å; H34-Y46 AromaticContact ND1-CE1 3.55Å; H34-I84 WeakPolarHBondContact O-CA 3.29Å; H34-S85 PolarHBondContact N-O 3.26Å; H34-S85 PolarHBondContact O-N 2.82Å; H34-S85 VanDerWaalsContact O-N 3.1Å; H34-K87 WeakPolarHBondContact NE2-CG 3.45Å |
| 35 | L | 78 | Confident | 78.2 | Confident | 7 Ų | 7 | 38.7 Ų | 38.7 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 123.2 | 162.7 | -61.4 | 173.4 | 0 | 0 | 0 | 107.7 | W37 A45 H47 I84 | L35-W37 HydrophobicContact CB-CE3 4.49Å; L35-W37 HydrophobicContact CB-CZ3 3.91Å; L35-A45 HydrophobicContact CB-CB 4.11Å; L35-A45 HydrophobicContact CD1-CB 4.26Å; L35-A45 PolarHBondContact N-O 3.09Å; L35-A45 VanDerWaalsContact N-O 3.11Å; L35-H47 HydrophobicContact CD1-CB 4.23Å; L35-H47 HydrophobicContact CD2-CB 3.87Å; L35-H47 HydrophobicContact CG-CB 4.02Å; L35-I84 HydrophobicContact CD2-CD1 3.62Å; L35-I84 HydrophobicContact CD2-CG1 3.82Å |
| 36 | H | 72.4 | Confident | 78 | Confident | 37 Ų | 37 | 40.5 Ų | 40.5 | 17% | 0.171 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -91.2 | 130 | 177.3 | -63.4 | -147.4 | 0 | 0 | 0 | 107.1 | H34 K42 E83 S85 F240 | H34-H36 PolarHBondContact O-CD2 2.87Å; H36-K42 WeakPolarHBondContact CE1-CE 3.34Å; H36-K42 WeakPolarHBondContact NE2-CE 3.12Å; H36-E83 VanDerWaalsContact CB-O 3.27Å; H36-E83 WeakPolarHBondContact CB-O 3.38Å; H36-E83 PolarHBondContact CD2-O 2.75Å; H36-E83 VanDerWaalsContact CD2-O 3.3Å; H36-E83 PolarHBondContact N-O 3.38Å; H36-S85 WeakPolarHBondContact NE2-CB 3.3Å; H36-S85 PolarHBondContact NE2-OG 2.99Å; H36-F240 WeakPolarHBondContact O-CE2 3.26Å; H36-F240 WeakPolarHBondContact O-CZ 3.37Å |
| 37 | W | 65.1 | Low | 77.7 | Confident | 29 Ų | 29 | 38.3 Ų | 38.3 | 11% | 0.11 | 21% | 0.207 | C | C | . | . | P | Polyproline II helix | trans | -70.9 | 158.6 | 169.4 | -93.9 | -147.1 | 0 | 0 | 0 | 109 | L35 N39 G40 L41 M43 A45 W166 F240 | L35-W37 HydrophobicContact CB-CE3 4.49Å; L35-W37 HydrophobicContact CB-CZ3 3.91Å; W37-N39 WeakPolarHBondContact CB-OD1 3.42Å; W37-N39 PolarHBondContact O-N 3.3Å; W37-G40 WeakPolarHBondContact O-CA 3.39Å; W37-G40 PolarHBondContact O-N 3.03Å; W37-L41 PolarHBondContact N-O 2.99Å; W37-M43 HydrophobicContact CG-SD 4.45Å; W37-A45 HydrophobicContact CE3-CB 4.49Å; W37-A45 HydrophobicContact CH2-CB 3.67Å; W37-A45 HydrophobicContact CZ3-CB 3.59Å; W37-W166 AromaticContact CD1-CZ3 3.94Å; W37-W166 AromaticContact CE2-CZ3 3.88Å; W37-W166 HydrophobicContact CZ2-CE3 4.28Å; W37-W166 HydrophobicContact CZ2-CZ3 4.28Å; W37-W166 AromaticContact NE1-CZ3 3.42Å; W37-F240 HydrophobicContact CD2-CE1 4.2Å; W37-F240 HydrophobicContact CD2-CZ 4.35Å; W37-F240 AromaticContact CE3-CE1 3.9Å; W37-F240 HydrophobicContact CE3-CE1 3.9Å; W37-F240 AromaticContact CE3-CZ 3.62Å; W37-F240 HydrophobicContact CE3-CZ 3.62Å; W37-F240 HydrophobicContact CH2-CZ 4.48Å; W37-F240 HydrophobicContact CZ3-CE1 4.08Å; W37-F240 AromaticContact CZ3-CZ 3.7Å; W37-F240 HydrophobicContact CZ3-CZ 3.7Å |
| 38 | P | 59.6 | Low | 77.5 | Confident | 53 Ų | 53 | 36.7 Ų | 36.7 | 34% | 0.344 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -15.3 | 179.8 | 10.9 | -23.2 | 0 | 0 | 0 | 114.4 | G40 W166 F240 | P38-G40 VanDerWaalsContact C-N 3.35Å; P38-W166 HydrophobicContact CG-CH2 4.18Å; P38-W166 HydrophobicContact CG-CZ2 3.94Å; P38-F240 HydrophobicContact CB-CB 4.37Å; P38-F240 VanDerWaalsContact CD-CD1 3.46Å; P38-F240 HydrophobicContact CG-CB 4.08Å; P38-F240 HydrophobicContact CG-CD1 4.05Å; P38-F240 HydrophobicContact CG-CG 4.23Å |
| 39 | N | 63.6 | Low | 77.3 | Confident | 104 Ų | 104 | 36.7 Ų | 36.7 | 56% | 0.556 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 11.3 | 171.5 | 62.7 | 4.8 | 0 | 0 | 0 | 114.1 | W37 L41 | W37-N39 WeakPolarHBondContact CB-OD1 3.42Å; W37-N39 PolarHBondContact O-N 3.3Å; N39-L41 VanDerWaalsContact ND2-CD1 3.3Å; N39-L41 WeakPolarHBondContact ND2-CD1 3.46Å; N39-L41 PolarHBondContact O-N 3.29Å; N39-L41 WeakPolarHBondContact OD1-CB 3.45Å; N39-L41 WeakPolarHBondContact OD1-CG 3.48Å; N39-L41 PolarHBondContact OD1-N 3.12Å |
| 40 | G | 55 | Low | 77.3 | Confident | 50 Ų | 50 | 33.1 Ų | 33.1 | 52% | 0.515 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 72.7 | 1.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | W37 P38 K42 | W37-G40 WeakPolarHBondContact O-CA 3.39Å; W37-G40 PolarHBondContact O-N 3.03Å; P38-G40 VanDerWaalsContact C-N 3.35Å; G40-K42 PolarHBondContact O-N 3.39Å |
| 41 | L | 52 | Low | 77.3 | Confident | 94 Ų | 94 | 33.3 Ų | 33.3 | 49% | 0.492 | 18% | 0.184 | S | C | . | . | trans | -75 | 123.3 | -179.9 | -65 | 179.9 | 0 | 0 | 0 | 110.9 | W37 N39 M43 | W37-L41 PolarHBondContact N-O 2.99Å; N39-L41 VanDerWaalsContact ND2-CD1 3.3Å; N39-L41 WeakPolarHBondContact ND2-CD1 3.46Å; N39-L41 PolarHBondContact O-N 3.29Å; N39-L41 WeakPolarHBondContact OD1-CB 3.45Å; N39-L41 WeakPolarHBondContact OD1-CG 3.48Å; N39-L41 PolarHBondContact OD1-N 3.12Å; L41-M43 HydrophobicContact CB-CG 3.99Å; L41-M43 PolarHBondContact O-N 3.46Å; L41-M43 VanDerWaalsContact O-N 3.16Å | ||
| 42 | K | 59.9 | Low | 77.4 | Confident | 113 Ų | 113 | 33.4 Ų | 33.4 | 49% | 0.491 | 18% | 0.184 | S | C | . | . | trans | -83.5 | 80.7 | 168.1 | -63.8 | -178.9 | 179.5 | -175.7 | 0 | 109 | H34 H36 G40 G44 | H34-K42 HydrophobicContact CB-CD 4.31Å; H36-K42 WeakPolarHBondContact CE1-CE 3.34Å; H36-K42 WeakPolarHBondContact NE2-CE 3.12Å; G40-K42 PolarHBondContact O-N 3.39Å; K42-G44 PolarHBondContact O-N 2.92Å | ||
| 43 | M | 56.6 | Low | 77.4 | Confident | 98 Ų | 98 | 36.2 Ų | 36.2 | 48% | 0.483 | 20% | 0.195 | S | C | . | . | trans | -73.6 | 14.3 | -175.1 | -73.2 | -171.2 | 54.4 | 0 | 0 | 115 | W37 L41 A45 L148 | W37-M43 HydrophobicContact CG-SD 4.45Å; L41-M43 HydrophobicContact CB-CG 3.99Å; L41-M43 PolarHBondContact O-N 3.46Å; L41-M43 VanDerWaalsContact O-N 3.16Å; M43-A45 VanDerWaalsContact C-N 3.27Å; M43-L148 WeakPolarHBondContact O-CD2 3.41Å | ||
| 44 | G | 59.9 | Low | 77.6 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 20% | 0.196 | 23% | 0.23 | C | C | . | . | S | Bend | trans | 74.4 | 19.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K42 Y46 | K42-G44 PolarHBondContact O-N 2.92Å; G44-Y46 WeakPolarHBondContact O-CD2 3.5Å; G44-Y46 VanDerWaalsContact O-CE2 3.25Å; G44-Y46 WeakPolarHBondContact O-CE2 3.49Å |
| 45 | A | 74.6 | Confident | 77.9 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 9% | 0.091 | 23% | 0.228 | C | C | . | . | trans | -76.8 | 119.6 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | L35 W37 M43 L148 | L35-A45 HydrophobicContact CB-CB 4.11Å; L35-A45 HydrophobicContact CD1-CB 4.26Å; L35-A45 PolarHBondContact N-O 3.09Å; L35-A45 VanDerWaalsContact N-O 3.11Å; W37-A45 HydrophobicContact CE3-CB 4.49Å; W37-A45 HydrophobicContact CH2-CB 3.67Å; W37-A45 HydrophobicContact CZ3-CB 3.59Å; M43-A45 VanDerWaalsContact C-N 3.27Å; A45-L148 HydrophobicContact CB-CD2 3.81Å | ||
| 46 | Y | 86.7 | Confident | 78.8 | Confident | 42 Ų | 42 | 42.5 Ų | 42.5 | 17% | 0.165 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.7 | -179.4 | -61.4 | -73.3 | 0 | 0 | 0 | 109.7 | V32 Y33 H34 G44 K87 N126 W144 I145 | V32-Y46 HydrophobicContact CG1-CD1 3.73Å; V32-Y46 HydrophobicContact CG1-CG 4.18Å; Y33-Y46 VanDerWaalsContact O-CA 3.32Å; Y33-Y46 WeakPolarHBondContact O-CA 3.19Å; H34-Y46 AromaticContact CE1-CE1 3.45Å; H34-Y46 VanDerWaalsContact CE1-CE1 3.45Å; H34-Y46 WeakPolarHBondContact CE1-CE1 3.38Å; H34-Y46 AromaticContact ND1-CE1 3.55Å; G44-Y46 WeakPolarHBondContact O-CD2 3.5Å; G44-Y46 VanDerWaalsContact O-CE2 3.25Å; G44-Y46 WeakPolarHBondContact O-CE2 3.49Å; Y46-K87 HydrophobicContact CD1-CD 4.24Å; Y46-K87 HydrophobicContact CE1-CD 3.72Å; Y46-N126 PolarHBondContact O-ND2 3.39Å; Y46-N126 PolarHBondContact O-OD1 3.38Å; Y46-W144 HydrophobicContact CD1-CZ3 4.02Å; Y46-W144 AromaticContact CD2-CE3 3.96Å; Y46-W144 HydrophobicContact CD2-CE3 3.96Å; Y46-W144 AromaticContact CD2-CZ3 3.89Å; Y46-W144 HydrophobicContact CD2-CZ3 3.89Å; Y46-W144 AromaticContact CE1-CZ3 3.91Å; Y46-W144 HydrophobicContact CE1-CZ3 3.91Å; Y46-W144 AromaticContact CE2-CE3 3.66Å; Y46-W144 HydrophobicContact CE2-CE3 3.66Å; Y46-W144 AromaticContact CE2-CZ3 3.79Å; Y46-W144 HydrophobicContact CE2-CZ3 3.79Å; Y46-W144 HydrophobicContact CG-CZ3 4Å; Y46-W144 AromaticContact CZ-CE3 3.99Å; Y46-W144 AromaticContact CZ-CZ3 3.8Å; Y46-I145 WeakPolarHBondContact CD2-O 3.34Å |
| 47 | H | 89.4 | Confident | 79.8 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.023 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 145.5 | 161.8 | 174.2 | 65.8 | 0 | 0 | 0 | 108.8 | Y33 L35 C125 | Y33-H47 AromaticContact CD2-CD2 3.64Å; Y33-H47 PolarHBondContact N-O 3.49Å; Y33-H47 PolarHBondContact O-N 2.91Å; L35-H47 HydrophobicContact CD1-CB 4.23Å; L35-H47 HydrophobicContact CD2-CB 3.87Å; L35-H47 HydrophobicContact CG-CB 4.02Å; H47-C125 WeakPolarHBondContact ND1-CB 3.14Å; H47-C125 PolarHBondContact ND1-SG 2.89Å |
| 48 | T | 93.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 145.8 | 176.1 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | V30 N31 V32 N126 T129 I145 | V30-T48 HydrophobicContact CG1-CG2 3.9Å; N31-T48 VanDerWaalsContact O-CA 3.26Å; N31-T48 WeakPolarHBondContact O-CA 3.4Å; V32-T48 HydrophobicContact CG1-CG2 4.4Å; V32-T48 HydrophobicContact CG2-CG2 4.14Å; T48-N126 WeakPolarHBondContact CG2-OD1 3.45Å; T48-N126 PolarHBondContact OG1-OD1 2.56Å; T48-T129 PolarHBondContact O-OG1 3.19Å; T48-T129 VanDerWaalsContact OG1-CB 3.29Å; T48-T129 WeakPolarHBondContact OG1-CB 3.31Å; T48-T129 PolarHBondContact OG1-OG1 3.34Å; T48-I145 HydrophobicContact CG2-CD1 4.29Å; T48-I145 HydrophobicContact CG2-CG2 3.56Å |
| 49 | G | 94.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 136.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V30 N31 E56 F57 | V30-G49 CarbonylContact C-O 3.49Å; V30-G49 WeakPolarHBondContact CA-O 3.47Å; N31-G49 PolarHBondContact N-O 3.01Å; N31-G49 PolarHBondContact O-N 2.82Å; N31-G49 VanDerWaalsContact O-N 3.13Å; G49-E56 WeakPolarHBondContact CA-OE1 3.34Å; G49-F57 CarbonylContact C-O 3.53Å; G49-F57 VanDerWaalsContact CA-O 3.27Å; G49-F57 WeakPolarHBondContact CA-O 3.42Å |
| 50 | T | 97.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 125.7 | 177.2 | -56.4 | 0 | 0 | 0 | 0 | 110 | V28 Y29 E56 F57 F132 V133 L136 | V28-T50 HydrophobicContact CG1-CG2 3.95Å; Y29-T50 CarbonylContact O-C 3.57Å; T50-E56 CarbonylContact O-C 3.6Å; T50-E56 WeakPolarHBondContact O-CA 3.31Å; T50-F57 PolarHBondContact N-O 3.02Å; T50-F57 PolarHBondContact O-N 3.29Å; T50-F132 HydrophobicContact CG2-CD1 3.7Å; T50-F132 HydrophobicContact CG2-CE1 3.92Å; T50-V133 HydrophobicContact CG2-CG2 3.83Å; T50-L136 HydrophobicContact CG2-CD1 3.78Å |
| 51 | V | 97.6 | Very high | 85.1 | Confident | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.03 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124.5 | 179 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | Y29 N31 R55 E56 P74 | Y29-V51 PolarHBondContact N-O 3.15Å; Y29-V51 PolarHBondContact O-N 3.27Å; N31-V51 VanDerWaalsContact ND2-CG2 3.3Å; N31-V51 WeakPolarHBondContact ND2-CG2 3.26Å; V51-R55 VanDerWaalsContact CA-O 3.29Å; V51-R55 WeakPolarHBondContact CA-O 3.25Å; V51-E56 HydrophobicContact CG2-CB 4.06Å; V51-E56 HydrophobicContact CG2-CG 4.1Å; V51-P74 HydrophobicContact CG1-CB 4.14Å; V51-P74 HydrophobicContact CG1-CG 3.79Å; V51-P74 HydrophobicContact CG2-CB 4.21Å |
| 52 | V | 97.2 | Very high | 86.6 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 138.5 | 174 | 64 | 0 | 0 | 0 | 0 | 109.4 | E26 V28 D54 R55 F57 T95 V102 L136 | E26-V52 HydrophobicContact CG-CG2 3.8Å; V28-V52 HydrophobicContact CG2-CG2 4.18Å; V52-D54 VanDerWaalsContact C-N 3.29Å; V52-D54 PolarHBondContact O-N 2.65Å; V52-R55 PolarHBondContact N-O 3.27Å; V52-R55 PolarHBondContact O-N 3.24Å; V52-F57 HydrophobicContact CG1-CD2 4.15Å; V52-F57 HydrophobicContact CG1-CE2 3.8Å; V52-T95 HydrophobicContact CG2-CG2 3.79Å; V52-V102 HydrophobicContact CG1-CG1 4.05Å; V52-L136 HydrophobicContact CG1-CD1 4.21Å |
| 53 | Y | 96 | Very high | 87.5 | Confident | 60 Ų | 60 | 23.9 Ų | 23.9 | 24% | 0.235 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 42.6 | -175.1 | -62.6 | -67.9 | 0 | 0 | 0 | 113.3 | E26 R55 L97 K99 V102 | E26-Y53 HydrophobicContact CB-CD1 4.41Å; E26-Y53 HydrophobicContact CB-CE1 3.79Å; E26-Y53 HydrophobicContact CB-CE2 4.38Å; E26-Y53 HydrophobicContact CG-CD1 3.67Å; E26-Y53 HydrophobicContact CG-CD2 4.25Å; E26-Y53 HydrophobicContact CG-CE1 3.55Å; E26-Y53 HydrophobicContact CG-CE2 4.14Å; E26-Y53 HydrophobicContact CG-CG 4.02Å; E26-Y53 PolarHBondContact OE1-N 3.13Å; Y53-R55 WeakPolarHBondContact O-CG 3.31Å; Y53-R55 PolarHBondContact O-N 2.78Å; Y53-R55 VanDerWaalsContact O-N 3.1Å; Y53-L97 WeakPolarHBondContact CE2-O 3.49Å; Y53-L97 PolarHBondContact OH-O 3.13Å; Y53-K99 HydrophobicContact CD2-CB 4.26Å; Y53-K99 HydrophobicContact CD2-CG 4.47Å; Y53-K99 HydrophobicContact CE2-CB 4.37Å; Y53-K99 HydrophobicContact CG-CB 4.48Å; Y53-V102 HydrophobicContact CD2-CG2 4.28Å; Y53-V102 HydrophobicContact CE2-CG2 3.9Å |
| 54 | D | 93.4 | Very high | 88.7 | Confident | 138 Ų | 138 | 24 Ų | 24 | 74% | 0.738 | 13% | 0.125 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 24.8 | -177.8 | -60.4 | -43.5 | 0 | 0 | 0 | 115 | V52 P74 | V52-D54 VanDerWaalsContact C-N 3.29Å; V52-D54 PolarHBondContact O-N 2.65Å; D54-P74 WeakPolarHBondContact O-CD 3.39Å; D54-P74 WeakPolarHBondContact O-CG 3.03Å |
| 55 | R | 94.2 | Very high | 90 | Very high | 29 Ų | 29 | 25.3 Ų | 25.3 | 11% | 0.109 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 135.3 | 175.2 | -61.5 | -176.9 | -54.2 | 175.1 | -4.2 | 109.1 | V51 V52 Y53 F57 Q71 K99 E103 | V51-R55 VanDerWaalsContact CA-O 3.29Å; V51-R55 WeakPolarHBondContact CA-O 3.25Å; V52-R55 PolarHBondContact N-O 3.27Å; V52-R55 PolarHBondContact O-N 3.24Å; Y53-R55 WeakPolarHBondContact O-CG 3.31Å; Y53-R55 PolarHBondContact O-N 2.78Å; Y53-R55 VanDerWaalsContact O-N 3.1Å; R55-F57 HydrophobicContact CB-CE2 3.73Å; R55-F57 HydrophobicContact CB-CZ 3.78Å; R55-Q71 HydrophobicContact CB-CG 4.1Å; R55-K99 VanDerWaalsContact NH2-CE 3.3Å; R55-E103 IonicContact CZ-OE1 3.55Å; R55-E103 IonicContact NH1-OE1 2.99Å; R55-E103 PolarHBondContact NH1-OE1 3.24Å; R55-E103 IonicContact NH2-OE1 2.68Å; R55-E103 PolarHBondContact NH2-OE1 3.43Å |
| 56 | E | 95.1 | Very high | 90.6 | Very high | 5 Ų | 5 | 25.8 Ų | 25.8 | 2% | 0.023 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 131.7 | 174 | -177.2 | 163.8 | -174.8 | 0 | 0 | 109.7 | N31 Y33 G49 T50 V51 Q71 T72 P74 M75 | N31-E56 WeakPolarHBondContact CB-OE1 3.29Å; N31-E56 VanDerWaalsContact ND2-CD 3.3Å; N31-E56 PolarHBondContact ND2-OE1 3.25Å; N31-E56 PolarHBondContact ND2-OE2 3.12Å; Y33-E56 WeakPolarHBondContact CE2-OE1 3.19Å; Y33-E56 VanDerWaalsContact OH-CD 3.25Å; Y33-E56 PolarHBondContact OH-OE1 3.02Å; Y33-E56 PolarHBondContact OH-OE2 3.15Å; G49-E56 WeakPolarHBondContact CA-OE1 3.34Å; T50-E56 CarbonylContact O-C 3.6Å; T50-E56 WeakPolarHBondContact O-CA 3.31Å; V51-E56 HydrophobicContact CG2-CB 4.06Å; V51-E56 HydrophobicContact CG2-CG 4.1Å; E56-Q71 CarbonylContact O-C 3.57Å; E56-Q71 VanDerWaalsContact O-CA 3.26Å; E56-Q71 WeakPolarHBondContact O-CA 3.5Å; E56-T72 PolarHBondContact N-O 2.89Å; E56-T72 PolarHBondContact O-N 2.88Å; E56-P74 HydrophobicContact CB-CB 4.45Å; E56-P74 HydrophobicContact CB-CG 4.31Å; E56-P74 VanDerWaalsContact OE2-CA 3.23Å; E56-P74 WeakPolarHBondContact OE2-CA 3.24Å; E56-M75 PolarHBondContact OE2-N 2.84Å |
| 57 | F | 95.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.009 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 132.3 | 179 | -60.3 | -81.8 | 0 | 0 | 0 | 109.4 | G49 T50 V52 R55 F70 Q71 L106 F128 F132 | G49-F57 CarbonylContact C-O 3.53Å; G49-F57 VanDerWaalsContact CA-O 3.27Å; G49-F57 WeakPolarHBondContact CA-O 3.42Å; T50-F57 PolarHBondContact N-O 3.02Å; T50-F57 PolarHBondContact O-N 3.29Å; V52-F57 HydrophobicContact CG1-CD2 4.15Å; V52-F57 HydrophobicContact CG1-CE2 3.8Å; R55-F57 HydrophobicContact CB-CE2 3.73Å; R55-F57 HydrophobicContact CB-CZ 3.78Å; F57-F70 WeakPolarHBondContact CA-O 3.49Å; F57-Q71 HydrophobicContact CD1-CB 4.09Å; F57-Q71 HydrophobicContact CD1-CG 4.05Å; F57-Q71 HydrophobicContact CE1-CB 3.99Å; F57-Q71 HydrophobicContact CE1-CG 3.65Å; F57-Q71 HydrophobicContact CZ-CG 4.19Å; F57-L106 HydrophobicContact CB-CD2 4.4Å; F57-L106 HydrophobicContact CD1-CD1 3.55Å; F57-L106 HydrophobicContact CD1-CD2 4.04Å; F57-L106 HydrophobicContact CD1-CG 4.48Å; F57-L106 HydrophobicContact CE1-CD1 3.28Å; F57-L106 HydrophobicContact CE2-CD1 4.33Å; F57-L106 HydrophobicContact CG-CD1 4.17Å; F57-L106 HydrophobicContact CG-CD2 4.22Å; F57-L106 HydrophobicContact CZ-CD1 3.71Å; F57-F128 HydrophobicContact CB-CE1 4.21Å; F57-F128 HydrophobicContact CB-CZ 4.34Å; F57-F132 HydrophobicContact CB-CD1 4.45Å; F57-F132 HydrophobicContact CB-CE1 3.92Å; F57-F132 AromaticContact CD2-CE1 3.88Å; F57-F132 HydrophobicContact CD2-CE1 3.88Å; F57-F132 HydrophobicContact CD2-CZ 4.36Å; F57-F132 HydrophobicContact CG-CE1 4.04Å |
| 58 | G | 92.7 | Very high | 90.8 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 172.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | I69 F70 | G58-I69 CarbonylContact O-C 3.6Å; G58-I69 VanDerWaalsContact O-CA 3.31Å; G58-I69 WeakPolarHBondContact O-CA 3.46Å; G58-F70 PolarHBondContact N-O 2.83Å; G58-F70 VanDerWaalsContact N-O 3.07Å; G58-F70 WeakPolarHBondContact O-CD1 3.27Å; G58-F70 PolarHBondContact O-N 3.08Å |
| 59 | F | 91.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 130.1 | 175.6 | 170.8 | -125.9 | 0 | 0 | 0 | 109.5 | G68 F113 R114 Y118 F123 C125 F128 | F59-G68 WeakPolarHBondContact CA-O 3.29Å; F59-F113 HydrophobicContact CB-CD1 4.46Å; F59-F113 AromaticContact CD1-CD1 3.69Å; F59-F113 HydrophobicContact CD1-CD1 3.69Å; F59-F113 HydrophobicContact CD1-CE1 4.27Å; F59-F113 HydrophobicContact CD2-CB 3.9Å; F59-F113 HydrophobicContact CD2-CD1 4.07Å; F59-F113 HydrophobicContact CD2-CG 4.48Å; F59-F113 AromaticContact CE1-CD1 3.82Å; F59-F113 HydrophobicContact CE1-CD1 3.82Å; F59-F113 HydrophobicContact CE1-CE1 4.46Å; F59-F113 HydrophobicContact CE2-CB 3.91Å; F59-F113 HydrophobicContact CE2-CD1 4.22Å; F59-F113 VanDerWaalsContact CE2-O 3.31Å; F59-F113 WeakPolarHBondContact CE2-O 3.42Å; F59-F113 HydrophobicContact CG-CB 4.46Å; F59-F113 AromaticContact CG-CD1 3.83Å; F59-F113 HydrophobicContact CG-CD1 3.83Å; F59-F113 HydrophobicContact CZ-CB 4.43Å; F59-F113 HydrophobicContact CZ-CD1 4.1Å; F59-R114 WeakPolarHBondContact CE2-O 3.46Å; F59-R114 WeakPolarHBondContact CZ-O 3.36Å; F59-Y118 AromaticContact CD1-CD2 3.56Å; F59-Y118 HydrophobicContact CD1-CD2 3.56Å; F59-Y118 AromaticContact CD1-CE2 3.78Å; F59-Y118 HydrophobicContact CD1-CE2 3.78Å; F59-Y118 HydrophobicContact CD2-CD2 4.4Å; F59-Y118 AromaticContact CE1-CD2 3.31Å; F59-Y118 HydrophobicContact CE1-CD2 3.31Å; F59-Y118 AromaticContact CE1-CE2 3.95Å; F59-Y118 HydrophobicContact CE1-CE2 3.95Å; F59-Y118 HydrophobicContact CE1-CG 4.12Å; F59-Y118 HydrophobicContact CE2-CD2 4.17Å; F59-Y118 HydrophobicContact CG-CD2 4.12Å; F59-Y118 HydrophobicContact CG-CE2 4.35Å; F59-Y118 AromaticContact CZ-CD2 3.64Å; F59-Y118 HydrophobicContact CZ-CD2 3.64Å; F59-Y118 HydrophobicContact CZ-CG 4.23Å; F59-Y118 WeakPolarHBondContact O-CE2 3.49Å; F59-F123 AromaticContact CE1-CD1 3.84Å; F59-F123 HydrophobicContact CE1-CD1 3.84Å; F59-F123 AromaticContact CE1-CE1 3.93Å; F59-F123 HydrophobicContact CE1-CE1 3.93Å; F59-F123 WeakPolarHBondContact CE1-O 3.43Å; F59-F123 HydrophobicContact CZ-CD1 4.03Å; F59-F123 AromaticContact CZ-CE1 3.93Å; F59-F123 HydrophobicContact CZ-CE1 3.93Å; F59-C125 WeakPolarHBondContact O-CB 3.33Å; F59-F128 HydrophobicContact CB-CB 3.5Å; F59-F128 HydrophobicContact CB-CD1 3.94Å; F59-F128 HydrophobicContact CB-CD2 4.29Å; F59-F128 HydrophobicContact CB-CG 3.63Å; F59-F128 HydrophobicContact CD1-CB 4.2Å; F59-F128 HydrophobicContact CG-CB 4.14Å |
| 60 | G | 87.2 | Confident | 90.6 | Very high | 2 Ų | 2 | 25.2 Ų | 25.2 | 2% | 0.021 | 14% | 0.137 | C | C | . | . | trans | -134.7 | 157.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112 | G68 Y118 | G60-G68 PolarHBondContact N-O 3.26Å; G60-G68 WeakPolarHBondContact O-CA 3.34Å; G60-Y118 VanDerWaalsContact C-CD2 3.42Å | ||
| 61 | G | 83 | Confident | 90.3 | Very high | 15 Ų | 15 | 27.4 Ų | 27.4 | 16% | 0.155 | 15% | 0.148 | C | C | . | . | trans | -90.8 | 140.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G115 | G61-G115 WeakPolarHBondContact CA-O 3.32Š| ||
| 62 | H | 82.1 | Confident | 89.8 | Confident | 36 Ų | 36 | 28.4 Ų | 28.4 | 17% | 0.167 | 15% | 0.153 | C | C | . | . | trans | -156 | 162.4 | 173.4 | 64.1 | 50.6 | 0 | 0 | 0 | 108.7 | F64 S66 S67 G115 D116 | H62-F64 VanDerWaalsContact C-N 3.26Å; H62-F64 PolarHBondContact CE1-O 3.04Å; H62-F64 AromaticContact ND1-CD2 3.99Å; H62-F64 PolarHBondContact ND1-N 3.19Å; H62-F64 PolarHBondContact ND1-O 3.16Å; H62-F64 VanDerWaalsContact ND1-O 3.11Å; H62-F64 PolarHBondContact O-N 3.1Å; H62-S66 PolarHBondContact CE1-O 3.14Å; H62-S66 PolarHBondContact CE1-OG 3.38Å; H62-S66 PolarHBondContact NE2-OG 3.3Å; H62-S67 PolarHBondContact NE2-O 2.91Å; H62-S67 VanDerWaalsContact NE2-O 3.14Å; H62-G115 VanDerWaalsContact CE1-CA 3.47Å; H62-G115 WeakPolarHBondContact CE1-CA 3.24Å; H62-G115 PolarHBondContact N-O 3.37Å; H62-G115 VanDerWaalsContact N-O 3.13Å; H62-G115 CarbonylContact O-C 3.55Å; H62-G115 VanDerWaalsContact O-O 3.08Å; H62-D116 VanDerWaalsContact O-CA 3.25Å; H62-D116 WeakPolarHBondContact O-CA 3.43Å; H62-D116 PolarHBondContact O-N 2.98Å | ||
| 63 | P | 78.5 | Confident | 89.5 | Confident | 33 Ų | 33 | 32.1 Ų | 32.1 | 21% | 0.214 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -76.9 | -13.4 | -169.5 | 34.1 | -38.1 | 0 | 0 | 0 | 113.6 | Y173 | P63-Y173 HydrophobicContact CB-CD2 3.95Å; P63-Y173 HydrophobicContact CB-CG 3.99Å; P63-Y173 VanDerWaalsContact CD-CD2 3.43Å; P63-Y173 HydrophobicContact CG-CD1 4.05Å; P63-Y173 HydrophobicContact CG-CD2 3.57Å; P63-Y173 HydrophobicContact CG-CE2 4.18Å; P63-Y173 HydrophobicContact CG-CG 3.48Å; P63-Y173 VanDerWaalsContact CG-CG 3.48Å |
| 64 | F | 82.9 | Confident | 89.2 | Confident | 100 Ų | 100 | 30.5 Ų | 30.5 | 44% | 0.439 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -83.3 | 149.6 | -174.5 | -47.6 | -68.1 | 0 | 0 | 0 | 113 | H62 S66 D116 F232 | H62-F64 VanDerWaalsContact C-N 3.26Å; H62-F64 PolarHBondContact CE1-O 3.04Å; H62-F64 AromaticContact ND1-CD2 3.99Å; H62-F64 PolarHBondContact ND1-N 3.19Å; H62-F64 PolarHBondContact ND1-O 3.16Å; H62-F64 VanDerWaalsContact ND1-O 3.11Å; H62-F64 PolarHBondContact O-N 3.1Å; F64-S66 PolarHBondContact O-N 3.32Å; F64-D116 PolarHBondContact O-N 3.37Å; F64-F232 HydrophobicContact CD2-CZ 4.17Å; F64-F232 AromaticContact CE2-CE1 4Å; F64-F232 HydrophobicContact CE2-CE1 4Å; F64-F232 AromaticContact CE2-CZ 3.64Å; F64-F232 HydrophobicContact CE2-CZ 3.64Å; F64-F232 HydrophobicContact CZ-CZ 4.27Å |
| 65 | A | 87 | Confident | 88.8 | Confident | 47 Ų | 47 | 27.6 Ų | 27.6 | 39% | 0.388 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -67.1 | 8.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 66 | S | 88.1 | Confident | 88 | Confident | 20 Ų | 20 | 27.8 Ų | 27.8 | 14% | 0.14 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -81.2 | 165.4 | 175.5 | 51.4 | 0 | 0 | 0 | 0 | 111.7 | H62 F64 G68 R114 G115 | H62-S66 PolarHBondContact CE1-O 3.14Å; H62-S66 PolarHBondContact CE1-OG 3.38Å; H62-S66 PolarHBondContact NE2-OG 3.3Å; F64-S66 PolarHBondContact O-N 3.32Å; S66-G68 PolarHBondContact O-N 2.68Å; S66-R114 CarbonylContact O-C 3.42Å; S66-R114 VanDerWaalsContact O-CA 3.25Å; S66-R114 WeakPolarHBondContact O-CA 3.47Å; S66-G115 PolarHBondContact O-N 2.92Å |
| 67 | S | 90.5 | Very high | 87.1 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | B | Isolated β-bridge | trans | -52.8 | 124.9 | 170.4 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | H62 I69 | H62-S67 PolarHBondContact NE2-O 2.91Å; H62-S67 VanDerWaalsContact NE2-O 3.14Å; S67-I69 VanDerWaalsContact OG-CB 3.29Å; S67-I69 WeakPolarHBondContact OG-CB 3.43Å; S67-I69 PolarHBondContact OG-N 2.8Å; S67-I69 VanDerWaalsContact OG-N 3.08Å |
| 68 | G | 90.1 | Very high | 85.9 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 4% | 0.041 | 21% | 0.212 | C | C | . | . | trans | -83.4 | -0.6 | 168 | 0 | 0 | 0 | 0 | 0 | 112.9 | F59 G60 S66 F113 | F59-G68 WeakPolarHBondContact CA-O 3.29Å; G60-G68 PolarHBondContact N-O 3.26Å; G60-G68 WeakPolarHBondContact O-CA 3.34Å; S66-G68 PolarHBondContact O-N 2.68Å; G68-F113 PolarHBondContact N-O 2.91Å | ||
| 69 | I | 93.5 | Very high | 84.7 | Confident | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 129 | 172.1 | -54.1 | 171.6 | 0 | 0 | 0 | 109 | G58 S67 L106 L109 F113 F128 | G58-I69 CarbonylContact O-C 3.6Å; G58-I69 VanDerWaalsContact O-CA 3.31Å; G58-I69 WeakPolarHBondContact O-CA 3.46Å; S67-I69 VanDerWaalsContact OG-CB 3.29Å; S67-I69 WeakPolarHBondContact OG-CB 3.43Å; S67-I69 PolarHBondContact OG-N 2.8Å; S67-I69 VanDerWaalsContact OG-N 3.08Å; I69-L106 HydrophobicContact CG2-CD2 3.94Å; I69-L109 HydrophobicContact CD1-CB 3.81Å; I69-F113 HydrophobicContact CD1-CB 3.97Å; I69-F113 HydrophobicContact CG1-CB 3.72Å; I69-F128 HydrophobicContact CD1-CD2 4.37Å; I69-F128 HydrophobicContact CD1-CE2 3.71Å; I69-F128 HydrophobicContact CD1-CZ 4.48Å; I69-F128 HydrophobicContact CG1-CD2 4.22Å; I69-F128 HydrophobicContact CG1-CE2 3.79Å; I69-F128 HydrophobicContact CG1-CZ 4.37Å; I69-F128 HydrophobicContact CG2-CE2 4.14Å; I69-F128 HydrophobicContact CG2-CZ 3.87Å |
| 70 | F | 89.9 | Confident | 83.5 | Confident | 22 Ų | 22 | 40.6 Ų | 40.6 | 10% | 0.096 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 164 | 177.9 | 63.5 | -97.6 | 0 | 0 | 0 | 111.2 | F57 G58 T72 I216 P236 | F57-F70 WeakPolarHBondContact CA-O 3.49Å; G58-F70 PolarHBondContact N-O 2.83Å; G58-F70 VanDerWaalsContact N-O 3.07Å; G58-F70 WeakPolarHBondContact O-CD1 3.27Å; G58-F70 PolarHBondContact O-N 3.08Å; F70-T72 HydrophobicContact CD2-CG2 3.89Å; F70-T72 HydrophobicContact CE2-CG2 3.98Å; F70-I216 HydrophobicContact CB-CG2 4.49Å; F70-P236 HydrophobicContact CD1-CG 4.21Å; F70-P236 HydrophobicContact CE1-CG 4.17Å; F70-P236 HydrophobicContact CZ-CG 4.48Å |
| 71 | Q | 91.2 | Very high | 82.6 | Confident | 46 Ų | 46 | 41.7 Ų | 41.7 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.3 | 177.3 | -171.9 | -166.1 | -80.2 | 0 | 0 | 109.8 | R55 E56 F57 | R55-Q71 HydrophobicContact CB-CG 4.1Å; E56-Q71 CarbonylContact O-C 3.57Å; E56-Q71 VanDerWaalsContact O-CA 3.26Å; E56-Q71 WeakPolarHBondContact O-CA 3.5Å; F57-Q71 HydrophobicContact CD1-CB 4.09Å; F57-Q71 HydrophobicContact CD1-CG 4.05Å; F57-Q71 HydrophobicContact CE1-CB 3.99Å; F57-Q71 HydrophobicContact CE1-CG 3.65Å; F57-Q71 HydrophobicContact CZ-CG 4.19Å |
| 72 | T | 87.4 | Confident | 82.1 | Confident | 25 Ų | 25 | 50.2 Ų | 50.2 | 15% | 0.153 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 170.4 | 173.9 | 56.8 | 0 | 0 | 0 | 0 | 111.4 | E56 F70 | E56-T72 PolarHBondContact N-O 2.89Å; E56-T72 PolarHBondContact O-N 2.88Å; F70-T72 HydrophobicContact CD2-CG2 3.89Å; F70-T72 HydrophobicContact CE2-CG2 3.98Å |
| 73 | T | 89.8 | Confident | 81.6 | Confident | 79 Ų | 79 | 51.2 Ų | 51.2 | 49% | 0.485 | 28% | 0.28 | S | S | . | . | trans | -70.5 | 137.9 | 164.8 | -57.8 | 0 | 0 | 0 | 0 | 109.1 | M75 D76 | T73-M75 PolarHBondContact O-N 3.17Å; T73-D76 VanDerWaalsContact O-CB 3.3Å; T73-D76 WeakPolarHBondContact O-CB 3.25Å; T73-D76 PolarHBondContact O-N 3.33Å | ||
| 74 | P | 89.8 | Confident | 81.6 | Confident | 26 Ų | 26 | 50 Ų | 50 | 17% | 0.169 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | 129 | -179.1 | -26.9 | 35.1 | 0 | 0 | 0 | 113.3 | V51 D54 E56 D76 | V51-P74 HydrophobicContact CG1-CB 4.14Å; V51-P74 HydrophobicContact CG1-CG 3.79Å; V51-P74 HydrophobicContact CG2-CB 4.21Å; D54-P74 WeakPolarHBondContact O-CD 3.39Å; D54-P74 WeakPolarHBondContact O-CG 3.03Å; E56-P74 HydrophobicContact CB-CB 4.45Å; E56-P74 HydrophobicContact CB-CG 4.31Å; E56-P74 VanDerWaalsContact OE2-CA 3.23Å; E56-P74 WeakPolarHBondContact OE2-CA 3.24Å; P74-D76 VanDerWaalsContact C-N 3.27Å; P74-D76 PolarHBondContact O-N 3.4Å |
| 75 | M | 84.3 | Confident | 81.7 | Confident | 77 Ų | 77 | 46.7 Ų | 46.7 | 38% | 0.379 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 32 | -179.9 | -50.8 | 174 | -61.3 | 0 | 0 | 114 | N31 Y33 E56 T73 I77 F86 R89 | N31-M75 WeakPolarHBondContact ND2-CG 3.4Å; N31-M75 PolarHBondContact ND2-N 3.49Å; Y33-M75 WeakPolarHBondContact OH-CA 3.48Å; Y33-M75 PolarHBondContact OH-N 2.93Å; E56-M75 PolarHBondContact OE2-N 2.84Å; T73-M75 PolarHBondContact O-N 3.17Å; M75-I77 PolarHBondContact O-N 3.37Å; M75-F86 HydrophobicContact CG-CD2 3.98Å; M75-F86 HydrophobicContact CG-CE2 3.82Å; M75-F86 HydrophobicContact CG-CZ 4.45Å; M75-F86 HydrophobicContact SD-CD2 4.25Å; M75-F86 HydrophobicContact SD-CE1 4.33Å; M75-F86 HydrophobicContact SD-CE2 3.75Å; M75-F86 HydrophobicContact SD-CZ 3.77Å; M75-R89 PolarHBondContact SD-NH2 3.07Å |
| 76 | D | 79.3 | Confident | 81.9 | Confident | 34 Ų | 34 | 47.7 Ų | 47.7 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | trans | -71.9 | 73 | 171.3 | -171.5 | -6.2 | 0 | 0 | 0 | 110.9 | T73 P74 D78 S79 L80 N214 | T73-D76 VanDerWaalsContact O-CB 3.3Å; T73-D76 WeakPolarHBondContact O-CB 3.25Å; T73-D76 PolarHBondContact O-N 3.33Å; P74-D76 VanDerWaalsContact C-N 3.27Å; P74-D76 PolarHBondContact O-N 3.4Å; D76-D78 VanDerWaalsContact C-N 3.26Å; D76-D78 PolarHBondContact O-N 2.82Å; D76-S79 PolarHBondContact O-N 3.03Å; D76-S79 PolarHBondContact O-OG 3.21Å; D76-S79 WeakPolarHBondContact OD1-CB 3.45Å; D76-S79 PolarHBondContact OD1-N 3.46Å; D76-S79 PolarHBondContact OD1-OG 2.9Å; D76-S79 WeakPolarHBondContact OD2-CB 3.5Å; D76-S79 PolarHBondContact OD2-OG 3.01Å; D76-L80 PolarHBondContact O-N 3.37Å; D76-N214 PolarHBondContact OD2-ND2 2.98Å | ||
| 77 | I | 74.5 | Confident | 82 | Confident | 69 Ų | 69 | 50.1 Ų | 50.1 | 35% | 0.354 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.2 | -37 | -178.1 | -61.3 | 167 | 0 | 0 | 0 | 110.4 | M75 S79 L80 G81 F86 | M75-I77 PolarHBondContact O-N 3.37Å; I77-S79 PolarHBondContact O-N 3.33Å; I77-L80 PolarHBondContact O-N 3.48Å; I77-G81 PolarHBondContact O-N 3.18Å; I77-F86 HydrophobicContact CD1-CB 3.8Å; I77-F86 HydrophobicContact CG1-CB 4.31Å |
| 78 | D | 71.7 | Confident | 82.2 | Confident | 147 Ų | 147 | 52.9 Ų | 52.9 | 79% | 0.786 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -62.7 | -31.3 | 179 | -59.6 | -23.7 | 0 | 0 | 0 | 111.2 | D76 K235 | D76-D78 VanDerWaalsContact C-N 3.26Å; D76-D78 PolarHBondContact O-N 2.82Å; D78-K235 PolarHBondContact O-NZ 2.8Å |
| 79 | S | 66.7 | Low | 82.5 | Confident | 17 Ų | 17 | 57.2 Ų | 57.2 | 12% | 0.119 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.5 | -30.1 | 173.3 | 77.5 | 0 | 0 | 0 | 0 | 114.1 | D76 I77 K235 | D76-S79 PolarHBondContact O-N 3.03Å; D76-S79 PolarHBondContact O-OG 3.21Å; D76-S79 WeakPolarHBondContact OD1-CB 3.45Å; D76-S79 PolarHBondContact OD1-N 3.46Å; D76-S79 PolarHBondContact OD1-OG 2.9Å; D76-S79 WeakPolarHBondContact OD2-CB 3.5Å; D76-S79 PolarHBondContact OD2-OG 3.01Å; I77-S79 PolarHBondContact O-N 3.33Å; S79-K235 VanDerWaalsContact O-CD 3.28Å; S79-K235 WeakPolarHBondContact O-CD 3.45Å; S79-K235 WeakPolarHBondContact O-CE 3.48Å; S79-K235 PolarHBondContact O-NZ 2.59Å |
| 80 | L | 66 | Low | 82.6 | Confident | 43 Ų | 43 | 58.4 Ų | 58.4 | 23% | 0.225 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -85.6 | -17.5 | -171.1 | -71.8 | 169.8 | 0 | 0 | 0 | 114 | Y33 D76 I77 I84 | Y33-L80 HydrophobicContact CD1-CD1 4.04Å; Y33-L80 HydrophobicContact CE1-CD1 3.78Å; Y33-L80 HydrophobicContact CE2-CD1 4.43Å; Y33-L80 HydrophobicContact CG-CD1 4.49Å; D76-L80 PolarHBondContact O-N 3.37Å; I77-L80 PolarHBondContact O-N 3.48Å; L80-I84 HydrophobicContact CB-CB 4.12Å; L80-I84 HydrophobicContact CB-CD1 4.11Å; L80-I84 HydrophobicContact CB-CG2 4.23Å; L80-I84 HydrophobicContact CD1-CG2 4.27Å; L80-I84 HydrophobicContact CD2-CD1 4.43Å |
| 81 | G | 68.5 | Low | 83 | Confident | 25 Ų | 25 | 63.6 Ų | 63.6 | 26% | 0.258 | 32% | 0.318 | S | S | . | . | trans | 93.9 | 163.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I77 E83 I84 | I77-G81 PolarHBondContact O-N 3.18Å; G81-E83 PolarHBondContact O-N 3.45Å; G81-I84 PolarHBondContact O-N 2.91Å | ||
| 82 | E | 71.5 | Confident | 83.3 | Confident | 194 Ų | 194 | 62.7 Ų | 62.7 | 91% | 0.907 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -20.4 | -174.4 | -61.6 | -175.4 | 176.2 | 0 | 0 | 113.6 | I84 | E82-I84 PolarHBondContact O-N 2.94Š|
| 83 | E | 72.4 | Confident | 83.7 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 27% | 0.266 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 2.1 | -179.1 | -61.7 | 170.5 | 146.7 | 0 | 0 | 112.4 | H36 G81 F240 | H36-E83 VanDerWaalsContact CB-O 3.27Å; H36-E83 WeakPolarHBondContact CB-O 3.38Å; H36-E83 PolarHBondContact CD2-O 2.75Å; H36-E83 VanDerWaalsContact CD2-O 3.3Å; H36-E83 PolarHBondContact N-O 3.38Å; G81-E83 PolarHBondContact O-N 3.45Å; E83-F240 HydrophobicContact CB-CD2 4.35Å; E83-F240 HydrophobicContact CB-CE2 4.42Å; E83-F240 WeakPolarHBondContact OE2-CD2 3.4Å |
| 84 | I | 78.9 | Confident | 84.1 | Confident | 9 Ų | 9 | 63 Ų | 63 | 5% | 0.046 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 128.8 | -179.5 | -55.8 | -170.3 | 0 | 0 | 0 | 109.4 | Y33 H34 L35 L80 G81 E82 | Y33-I84 HydrophobicContact CD1-CG2 4.06Å; Y33-I84 HydrophobicContact CG-CG2 4.01Å; H34-I84 WeakPolarHBondContact O-CA 3.29Å; L35-I84 HydrophobicContact CD2-CD1 3.62Å; L35-I84 HydrophobicContact CD2-CG1 3.82Å; L80-I84 HydrophobicContact CB-CB 4.12Å; L80-I84 HydrophobicContact CB-CD1 4.11Å; L80-I84 HydrophobicContact CB-CG2 4.23Å; L80-I84 HydrophobicContact CD1-CG2 4.27Å; L80-I84 HydrophobicContact CD2-CD1 4.43Å; G81-I84 PolarHBondContact O-N 2.91Å; E82-I84 PolarHBondContact O-N 2.94Å |
| 85 | S | 85 | Confident | 84.4 | Confident | 30 Ų | 30 | 61.8 Ų | 61.8 | 21% | 0.21 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 133.7 | 174.8 | 68.8 | 0 | 0 | 0 | 0 | 111.4 | Y33 H34 H36 K87 | Y33-S85 CarbonylContact C-O 2.95Å; Y33-S85 WeakPolarHBondContact CA-O 3.28Å; H34-S85 PolarHBondContact N-O 3.26Å; H34-S85 PolarHBondContact O-N 2.82Å; H34-S85 VanDerWaalsContact O-N 3.1Å; H36-S85 WeakPolarHBondContact NE2-CB 3.3Å; H36-S85 PolarHBondContact NE2-OG 2.99Å; S85-K87 PolarHBondContact O-N 3.29Å |
| 86 | F | 90 | Very high | 84.9 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 30% | 0.298 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 135.4 | 173 | -180 | -100.3 | 0 | 0 | 0 | 111.4 | N31 Y33 M75 I77 E88 R89 | N31-F86 HydrophobicContact CB-CE2 4.05Å; Y33-F86 HydrophobicContact CD1-CB 4.05Å; Y33-F86 HydrophobicContact CD1-CD2 4.17Å; Y33-F86 HydrophobicContact CE1-CB 4.14Å; Y33-F86 AromaticContact CE1-CD2 3.79Å; Y33-F86 HydrophobicContact CE1-CD2 3.79Å; Y33-F86 HydrophobicContact CE1-CG 4.47Å; M75-F86 HydrophobicContact CG-CD2 3.98Å; M75-F86 HydrophobicContact CG-CE2 3.82Å; M75-F86 HydrophobicContact CG-CZ 4.45Å; M75-F86 HydrophobicContact SD-CD2 4.25Å; M75-F86 HydrophobicContact SD-CE1 4.33Å; M75-F86 HydrophobicContact SD-CE2 3.75Å; M75-F86 HydrophobicContact SD-CZ 3.77Å; I77-F86 HydrophobicContact CD1-CB 3.8Å; I77-F86 HydrophobicContact CG1-CB 4.31Å; F86-E88 WeakPolarHBondContact CE2-O 3.33Å; F86-R89 HydrophobicContact CE2-CB 4.48Å; F86-R89 HydrophobicContact CZ-CB 3.96Å |
| 87 | K | 91.1 | Very high | 85.7 | Confident | 70 Ų | 70 | 67.7 Ų | 67.7 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -61.6 | 178.1 | -176.8 | -168.5 | -174.5 | -148.1 | 0 | 111 | V32 H34 Y46 S85 W144 | V32-K87 HydrophobicContact CB-CB 4.37Å; V32-K87 HydrophobicContact CG1-CB 4.34Å; V32-K87 HydrophobicContact CG1-CD 3.99Å; V32-K87 WeakPolarHBondContact O-CA 3.47Å; V32-K87 VanDerWaalsContact O-CB 3.31Å; V32-K87 WeakPolarHBondContact O-CB 3.47Å; V32-K87 PolarHBondContact O-N 3.11Å; H34-K87 WeakPolarHBondContact NE2-CG 3.45Å; Y46-K87 HydrophobicContact CD1-CD 4.24Å; Y46-K87 HydrophobicContact CE1-CD 3.72Å; S85-K87 PolarHBondContact O-N 3.29Å; K87-W144 HydrophobicContact CD-CH2 4.26Å; K87-W144 HydrophobicContact CD-CZ3 4.41Å |
| 88 | E | 94.7 | Very high | 86.7 | Confident | 64 Ų | 64 | 67.7 Ų | 67.7 | 30% | 0.299 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.1 | 159 | -172.6 | 63.5 | -172.9 | 131.3 | 0 | 0 | 111.3 | V32 F86 L90 W144 | V32-E88 HydrophobicContact CB-CG 4.1Å; V32-E88 HydrophobicContact CG2-CG 4.13Å; V32-E88 PolarHBondContact N-O 2.92Å; V32-E88 PolarHBondContact O-N 3.13Å; F86-E88 WeakPolarHBondContact CE2-O 3.33Å; E88-L90 HydrophobicContact CG-CD2 4.14Å; E88-L90 HydrophobicContact CG-CG 4.3Å; E88-L90 WeakPolarHBondContact OE2-CD2 3.39Å; E88-W144 WeakPolarHBondContact OE1-CH2 3.3Å; E88-W144 VanDerWaalsContact OE1-CZ2 3.3Å; E88-W144 WeakPolarHBondContact OE1-CZ2 3.33Å |
| 89 | R | 96 | Very high | 87.8 | Confident | 94 Ų | 94 | 65.5 Ų | 65.5 | 36% | 0.355 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 125.5 | 170.4 | 174.9 | 172.2 | -71.5 | -179.1 | 0.9 | 108.9 | Y29 V30 N31 M75 F86 | Y29-R89 HydrophobicContact CD1-CG 3.76Å; Y29-R89 HydrophobicContact CG-CG 4Å; V30-R89 CarbonylContact O-C 3.5Å; V30-R89 WeakPolarHBondContact O-CA 3.41Å; N31-R89 PolarHBondContact ND2-NH2 3.18Å; N31-R89 PolarHBondContact OD1-NE 3.24Å; N31-R89 PolarHBondContact OD1-NH2 3.49Å; M75-R89 PolarHBondContact SD-NH2 3.07Å; F86-R89 HydrophobicContact CE2-CB 4.48Å; F86-R89 HydrophobicContact CZ-CB 3.96Å |
| 90 | L | 96.8 | Very high | 89.1 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 16% | 0.157 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 129.2 | -179.1 | -61 | 176.7 | 0 | 0 | 0 | 109.6 | Y29 V30 V32 E88 M92 P142 W144 I145 | Y29-L90 CarbonylContact C-O 3.6Å; Y29-L90 WeakPolarHBondContact CA-O 3.38Å; V30-L90 HydrophobicContact CB-CB 4.5Å; V30-L90 PolarHBondContact N-O 3.32Å; V30-L90 PolarHBondContact O-N 3.49Å; V32-L90 HydrophobicContact CG2-CD1 3.76Å; V32-L90 HydrophobicContact CG2-CG 4.13Å; E88-L90 HydrophobicContact CG-CD2 4.14Å; E88-L90 HydrophobicContact CG-CG 4.3Å; E88-L90 WeakPolarHBondContact OE2-CD2 3.39Å; L90-M92 HydrophobicContact CB-CE 3.33Å; L90-M92 HydrophobicContact CD1-CE 3.86Å; L90-M92 HydrophobicContact CG-CE 4.27Å; L90-P142 HydrophobicContact CD1-CG 3.98Å; L90-W144 HydrophobicContact CD1-CZ2 4.13Å; L90-I145 HydrophobicContact CD1-CD1 3.81Å |
| 91 | Y | 97.6 | Very high | 90.6 | Very high | 131 Ų | 131 | 70 Ų | 70 | 51% | 0.514 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 126.5 | 172.1 | 176.2 | -105.3 | 0 | 0 | 0 | 110.1 | P27 Y29 G93 R94 | P27-Y91 HydrophobicContact CB-CE2 4.03Å; Y29-Y91 HydrophobicContact CD1-CD2 4.03Å; Y29-Y91 AromaticContact CE1-CD2 3.61Å; Y29-Y91 HydrophobicContact CE1-CD2 3.61Å; Y29-Y91 HydrophobicContact CE1-CG 4.29Å; Y91-G93 WeakPolarHBondContact CE2-O 3.33Å; Y91-G93 PolarHBondContact OH-O 2.81Å; Y91-R94 WeakPolarHBondContact OH-CG 3.42Å |
| 92 | M | 97.1 | Very high | 91.9 | Very high | 27 Ų | 27 | 68.9 Ų | 68.9 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -26.5 | -176.2 | -64.5 | -57.8 | 159.9 | 0 | 0 | 113.7 | V28 V30 L90 V133 L141 | V28-M92 HydrophobicContact CB-CB 4.45Å; V28-M92 HydrophobicContact CG1-CB 4.23Å; V28-M92 PolarHBondContact O-N 2.91Å; V30-M92 HydrophobicContact CB-CE 3.57Å; V30-M92 HydrophobicContact CB-CG 4.4Å; V30-M92 HydrophobicContact CG1-CE 4.42Å; V30-M92 HydrophobicContact CG2-CE 3.6Å; V30-M92 HydrophobicContact CG2-CG 3.7Å; V30-M92 HydrophobicContact CG2-SD 4.34Å; L90-M92 HydrophobicContact CB-CE 3.33Å; L90-M92 HydrophobicContact CD1-CE 3.86Å; L90-M92 HydrophobicContact CG-CE 4.27Å; M92-V133 HydrophobicContact CB-CG1 3.62Å; M92-V133 HydrophobicContact CG-CG1 3.67Å; M92-V133 HydrophobicContact CG-CG2 4.18Å; M92-V133 HydrophobicContact SD-CG1 4.18Å; M92-L141 HydrophobicContact CE-CD1 3.99Å |
| 93 | G | 96.4 | Very high | 93 | Very high | 13 Ų | 13 | 62.2 Ų | 62.2 | 13% | 0.134 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.9 | -156 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V28 Y91 | V28-G93 PolarHBondContact N-O 2.96Å; Y91-G93 WeakPolarHBondContact CE2-O 3.33Å; Y91-G93 PolarHBondContact OH-O 2.81Å |
| 94 | R | 97.1 | Very high | 94.1 | Very high | 98 Ų | 98 | 67.4 Ų | 67.4 | 37% | 0.37 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 138.4 | 174.7 | -75.4 | 172 | 174.7 | -124.5 | 7.5 | 110.3 | G25 E26 Y91 C137 | G25-R94 WeakPolarHBondContact O-CD 3.36Å; G25-R94 WeakPolarHBondContact O-CG 3.46Å; G25-R94 PolarHBondContact O-NH1 3.49Å; E26-R94 CarbonylContact O-C 3.59Å; E26-R94 WeakPolarHBondContact O-CA 3.47Å; Y91-R94 WeakPolarHBondContact OH-CG 3.42Å; R94-C137 VanDerWaalsContact O-CB 3.29Å; R94-C137 WeakPolarHBondContact O-CB 3.19Å |
| 95 | T | 96.6 | Very high | 95 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.006 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 145.9 | 169.6 | -168.1 | 0 | 0 | 0 | 0 | 110.6 | G25 E26 V28 V52 L97 L136 | G25-T95 CarbonylContact C-O 3.5Å; G25-T95 WeakPolarHBondContact CA-O 3.44Å; E26-T95 HydrophobicContact CB-CG2 3.97Å; E26-T95 PolarHBondContact N-O 3.26Å; E26-T95 PolarHBondContact O-N 2.86Å; V28-T95 HydrophobicContact CG2-CG2 3.88Å; V52-T95 HydrophobicContact CG2-CG2 3.79Å; T95-L97 WeakPolarHBondContact OG1-CB 3.5Å; T95-L97 WeakPolarHBondContact OG1-CG 3.17Å; T95-L97 PolarHBondContact OG1-N 3.42Å; T95-L136 WeakPolarHBondContact CA-O 3.27Å; T95-L136 WeakPolarHBondContact CB-O 3.19Å; T95-L136 PolarHBondContact OG1-O 3.03Å |
| 96 | Y | 95.6 | Very high | 95.5 | Very high | 173 Ų | 173 | 66.9 Ų | 66.9 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | trans | -105.9 | 4.9 | 171.8 | -59.9 | -87.8 | 0 | 0 | 0 | 111.4 | ||||
| 97 | L | 95.7 | Very high | 95.7 | Very high | 62 Ų | 62 | 64.6 Ų | 64.6 | 33% | 0.325 | 29% | 0.293 | S | S | . | . | trans | -72.3 | 129.6 | 174 | -62.8 | -179.8 | 0 | 0 | 0 | 109.5 | Y53 T95 A101 V102 L105 L136 | Y53-L97 WeakPolarHBondContact CE2-O 3.49Å; Y53-L97 PolarHBondContact OH-O 3.13Å; T95-L97 WeakPolarHBondContact OG1-CB 3.5Å; T95-L97 WeakPolarHBondContact OG1-CG 3.17Å; T95-L97 PolarHBondContact OG1-N 3.42Å; L97-A101 HydrophobicContact CB-CB 4.03Å; L97-A101 HydrophobicContact CD2-CB 4.24Å; L97-V102 HydrophobicContact CB-CG2 4.06Å; L97-L105 HydrophobicContact CD1-CD2 4.14Å; L97-L136 HydrophobicContact CD1-CD2 4.14Å | ||
| 98 | S | 94.9 | Very high | 95.8 | Very high | 68 Ų | 68 | 65 Ų | 65 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | trans | -61.6 | 159.2 | 170.4 | 70.4 | 0 | 0 | 0 | 0 | 111.9 | K100 A101 V102 | S98-K100 PolarHBondContact O-N 2.93Å; S98-K100 VanDerWaalsContact O-N 3.14Å; S98-A101 WeakPolarHBondContact O-CA 3.16Å; S98-A101 WeakPolarHBondContact O-CB 3.28Å; S98-A101 PolarHBondContact O-N 2.87Å; S98-A101 PolarHBondContact OG-N 3.31Å; S98-V102 PolarHBondContact O-N 3.34Å | ||
| 99 | K | 95.3 | Very high | 95.9 | Very high | 102 Ų | 102 | 62.3 Ų | 62.3 | 44% | 0.443 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -47.5 | -43.3 | 174.2 | -169 | -179.2 | 179.6 | 178.7 | 0 | 113.4 | Y53 R55 V102 E103 | Y53-K99 HydrophobicContact CD2-CB 4.26Å; Y53-K99 HydrophobicContact CD2-CG 4.47Å; Y53-K99 HydrophobicContact CE2-CB 4.37Å; Y53-K99 HydrophobicContact CG-CB 4.48Å; R55-K99 VanDerWaalsContact NH2-CE 3.3Å; K99-V102 WeakPolarHBondContact O-CB 3.26Å; K99-V102 PolarHBondContact O-N 3.2Å; K99-E103 WeakPolarHBondContact O-CG 3.37Å; K99-E103 PolarHBondContact O-N 2.86Å |
| 100 | K | 94.7 | Very high | 95.7 | Very high | 128 Ų | 128 | 58 Ų | 58 | 56% | 0.557 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -67.2 | -34.3 | 176.8 | -174.7 | 174.1 | -174.9 | 172.7 | 0 | 113 | S98 E103 R104 | S98-K100 PolarHBondContact O-N 2.93Å; S98-K100 VanDerWaalsContact O-N 3.14Å; K100-E103 PolarHBondContact O-N 2.78Å; K100-R104 WeakPolarHBondContact O-CG 3.3Å; K100-R104 PolarHBondContact O-N 3.39Å; K100-R104 VanDerWaalsContact O-N 3.08Å |
| 101 | A | 96.2 | Very high | 95.4 | Very high | 27 Ų | 27 | 63.1 Ų | 63.1 | 22% | 0.223 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -70.9 | -37.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L97 S98 R104 L105 | L97-A101 HydrophobicContact CB-CB 4.03Å; L97-A101 HydrophobicContact CD2-CB 4.24Å; S98-A101 WeakPolarHBondContact O-CA 3.16Å; S98-A101 WeakPolarHBondContact O-CB 3.28Å; S98-A101 PolarHBondContact O-N 2.87Å; S98-A101 PolarHBondContact OG-N 3.31Å; A101-R104 PolarHBondContact O-N 3.02Å; A101-L105 WeakPolarHBondContact O-CB 3.37Å; A101-L105 PolarHBondContact O-N 2.95Å |
| 102 | V | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 171.5 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | V52 Y53 L97 S98 K99 R104 L105 L106 F132 L136 | V52-V102 HydrophobicContact CG1-CG1 4.05Å; Y53-V102 HydrophobicContact CD2-CG2 4.28Å; Y53-V102 HydrophobicContact CE2-CG2 3.9Å; L97-V102 HydrophobicContact CB-CG2 4.06Å; S98-V102 PolarHBondContact O-N 3.34Å; K99-V102 WeakPolarHBondContact O-CB 3.26Å; K99-V102 PolarHBondContact O-N 3.2Å; V102-R104 PolarHBondContact O-N 3.04Å; V102-L105 WeakPolarHBondContact O-CB 3.34Å; V102-L105 PolarHBondContact O-N 2.9Å; V102-L106 HydrophobicContact CG1-CD1 4.1Å; V102-L106 WeakPolarHBondContact O-CG 3.23Å; V102-L106 PolarHBondContact O-N 3.04Å; V102-F132 HydrophobicContact CG1-CE2 4.31Å; V102-F132 HydrophobicContact CG1-CZ 3.78Å; V102-L136 HydrophobicContact CG1-CD2 4.28Å; V102-L136 HydrophobicContact CG2-CD2 3.83Å |
| 103 | E | 95.2 | Very high | 95 | Very high | 54 Ų | 54 | 60.2 Ų | 60.2 | 25% | 0.252 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 176.2 | -74 | 161.4 | -171.8 | 0 | 0 | 112.6 | R55 K99 K100 L105 L106 A107 | R55-E103 IonicContact CZ-OE1 3.55Å; R55-E103 IonicContact NH1-OE1 2.99Å; R55-E103 PolarHBondContact NH1-OE1 3.24Å; R55-E103 IonicContact NH2-OE1 2.68Å; R55-E103 PolarHBondContact NH2-OE1 3.43Å; K99-E103 WeakPolarHBondContact O-CG 3.37Å; K99-E103 PolarHBondContact O-N 2.86Å; K100-E103 PolarHBondContact O-N 2.78Å; E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 3.14Å; E103-L106 PolarHBondContact O-N 3.41Å; E103-A107 WeakPolarHBondContact O-CB 3.21Å; E103-A107 PolarHBondContact O-N 3.04Å |
| 104 | R | 95.7 | Very high | 94.8 | Very high | 166 Ų | 166 | 64 Ų | 64 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.2 | -37.9 | 173 | -72.5 | 170.5 | 174.9 | 175.7 | -6.3 | 112.5 | K100 A101 V102 A107 S108 | K100-R104 WeakPolarHBondContact O-CG 3.3Å; K100-R104 PolarHBondContact O-N 3.39Å; K100-R104 VanDerWaalsContact O-N 3.08Å; A101-R104 PolarHBondContact O-N 3.02Å; V102-R104 PolarHBondContact O-N 3.04Å; R104-A107 PolarHBondContact O-N 3.28Å; R104-S108 PolarHBondContact O-N 3.48Å |
| 105 | L | 96 | Very high | 94.3 | Very high | 28 Ų | 28 | 59.3 Ų | 59.3 | 15% | 0.147 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 176 | -176 | 61.8 | 0 | 0 | 0 | 110.9 | L97 A101 V102 E103 A107 S108 L109 F132 L135 L136 | L97-L105 HydrophobicContact CD1-CD2 4.14Å; A101-L105 WeakPolarHBondContact O-CB 3.37Å; A101-L105 PolarHBondContact O-N 2.95Å; V102-L105 WeakPolarHBondContact O-CB 3.34Å; V102-L105 PolarHBondContact O-N 2.9Å; E103-L105 VanDerWaalsContact C-N 3.32Å; E103-L105 PolarHBondContact O-N 3.14Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-A107 PolarHBondContact O-N 3.49Å; L105-S108 PolarHBondContact O-N 3.21Å; L105-S108 VanDerWaalsContact O-N 3.13Å; L105-S108 PolarHBondContact O-OG 3.23Å; L105-L109 WeakPolarHBondContact O-CG 3.36Å; L105-L109 PolarHBondContact O-N 2.69Å; L105-L109 VanDerWaalsContact O-N 3.15Å; L105-F132 HydrophobicContact CD2-CD2 4.02Å; L105-F132 HydrophobicContact CD2-CE2 3.79Å; L105-F132 HydrophobicContact CG-CD2 4.39Å; L105-F132 HydrophobicContact CG-CE2 4.17Å; L105-L135 HydrophobicContact CD1-CB 4.14Å; L105-L135 HydrophobicContact CD1-CD1 3.97Å; L105-L135 HydrophobicContact CD1-CG 4.44Å; L105-L135 HydrophobicContact CD2-CB 3.75Å; L105-L135 HydrophobicContact CG-CB 4.42Å; L105-L136 HydrophobicContact CD2-CD2 4.02Å; L105-L136 HydrophobicContact CD2-CG 4.41Å |
| 106 | L | 95.6 | Very high | 93.8 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.4 | -44.1 | 174 | -70.6 | 162.6 | 0 | 0 | 0 | 111.6 | F57 I69 V102 E103 S108 L109 A110 F128 F132 | F57-L106 HydrophobicContact CB-CD2 4.4Å; F57-L106 HydrophobicContact CD1-CD1 3.55Å; F57-L106 HydrophobicContact CD1-CD2 4.04Å; F57-L106 HydrophobicContact CD1-CG 4.48Å; F57-L106 HydrophobicContact CE1-CD1 3.28Å; F57-L106 HydrophobicContact CE2-CD1 4.33Å; F57-L106 HydrophobicContact CG-CD1 4.17Å; F57-L106 HydrophobicContact CG-CD2 4.22Å; F57-L106 HydrophobicContact CZ-CD1 3.71Å; I69-L106 HydrophobicContact CG2-CD2 3.94Å; V102-L106 HydrophobicContact CG1-CD1 4.1Å; V102-L106 WeakPolarHBondContact O-CG 3.23Å; V102-L106 PolarHBondContact O-N 3.04Å; E103-L106 PolarHBondContact O-N 3.41Å; L106-S108 VanDerWaalsContact C-N 3.29Å; L106-S108 PolarHBondContact O-N 3.27Å; L106-L109 PolarHBondContact O-N 3.4Å; L106-L109 VanDerWaalsContact O-N 3.09Å; L106-A110 PolarHBondContact O-N 3.2Å; L106-A110 VanDerWaalsContact O-N 3.12Å; L106-F128 HydrophobicContact CD2-CE2 4.43Å; L106-F128 HydrophobicContact CD2-CZ 3.95Å; L106-F132 HydrophobicContact CD1-CZ 4.2Å; L106-F132 HydrophobicContact CD2-CD1 4.41Å; L106-F132 HydrophobicContact CD2-CD2 4.39Å; L106-F132 HydrophobicContact CD2-CE1 3.84Å; L106-F132 HydrophobicContact CD2-CE2 3.79Å; L106-F132 HydrophobicContact CD2-CZ 3.49Å; L106-F132 VanDerWaalsContact CD2-CZ 3.49Å; L106-F132 HydrophobicContact CG-CE2 3.97Å; L106-F132 HydrophobicContact CG-CZ 3.77Å |
| 107 | A | 94.2 | Very high | 93.5 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 16% | 0.157 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -36.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E103 R104 L105 L109 A110 | E103-A107 WeakPolarHBondContact O-CB 3.21Å; E103-A107 PolarHBondContact O-N 3.04Å; R104-A107 PolarHBondContact O-N 3.28Å; L105-A107 VanDerWaalsContact C-N 3.34Å; L105-A107 PolarHBondContact O-N 3.49Å; A107-L109 VanDerWaalsContact C-N 3.25Å; A107-L109 PolarHBondContact O-N 3.36Å; A107-A110 VanDerWaalsContact O-CB 3.27Å; A107-A110 WeakPolarHBondContact O-CB 3.48Å; A107-A110 PolarHBondContact O-N 2.68Å |
| 108 | S | 95.2 | Very high | 93.1 | Very high | 80 Ų | 80 | 52.8 Ų | 52.8 | 56% | 0.559 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -69.9 | -21.2 | 175.6 | 71.6 | 0 | 0 | 0 | 0 | 114 | R104 L105 L106 | R104-S108 PolarHBondContact O-N 3.48Å; L105-S108 PolarHBondContact O-N 3.21Å; L105-S108 VanDerWaalsContact O-N 3.13Å; L105-S108 PolarHBondContact O-OG 3.23Å; L106-S108 VanDerWaalsContact C-N 3.29Å; L106-S108 PolarHBondContact O-N 3.27Å |
| 109 | L | 95 | Very high | 92.6 | Very high | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -90.1 | -14.1 | 175.8 | -67.3 | 172.9 | 0 | 0 | 0 | 112.5 | I69 L105 L106 A107 D111 E112 F113 F128 Q131 F132 L135 | I69-L109 HydrophobicContact CD1-CB 3.81Å; L105-L109 WeakPolarHBondContact O-CG 3.36Å; L105-L109 PolarHBondContact O-N 2.69Å; L105-L109 VanDerWaalsContact O-N 3.15Å; L106-L109 PolarHBondContact O-N 3.4Å; L106-L109 VanDerWaalsContact O-N 3.09Å; A107-L109 VanDerWaalsContact C-N 3.25Å; A107-L109 PolarHBondContact O-N 3.36Å; L109-D111 VanDerWaalsContact C-N 3.3Å; L109-D111 PolarHBondContact O-N 3.43Å; L109-E112 PolarHBondContact O-N 3.21Å; L109-F113 HydrophobicContact CB-CD2 4.01Å; L109-F113 HydrophobicContact CD2-CD2 4.38Å; L109-F113 HydrophobicContact CD2-CE2 4.14Å; L109-F113 WeakPolarHBondContact O-CD2 3.44Å; L109-F113 PolarHBondContact O-N 3.43Å; L109-F128 HydrophobicContact CD1-CE2 4.19Å; L109-Q131 HydrophobicContact CD2-CG 4.32Å; L109-F132 HydrophobicContact CD1-CB 4.45Å; L109-F132 HydrophobicContact CD1-CD2 4Å; L109-L135 HydrophobicContact CD1-CD1 4.13Å; L109-L135 HydrophobicContact CD2-CD1 3.97Å; L109-L135 HydrophobicContact CG-CD1 4.44Å |
| 110 | A | 92.1 | Very high | 91.9 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 4% | 0.041 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -37.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L106 A107 F113 | L106-A110 PolarHBondContact O-N 3.2Å; L106-A110 VanDerWaalsContact O-N 3.12Å; A107-A110 VanDerWaalsContact O-CB 3.27Å; A107-A110 WeakPolarHBondContact O-CB 3.48Å; A107-A110 PolarHBondContact O-N 2.68Å; A110-F113 CarbonylContact O-C 3.45Å |
| 111 | D | 91.2 | Very high | 91.3 | Very high | 137 Ų | 137 | 41.2 Ų | 41.2 | 73% | 0.733 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | -31.8 | -179.3 | -66.7 | -28.1 | 0 | 0 | 0 | 112.7 | L109 R114 | L109-D111 VanDerWaalsContact C-N 3.3Å; L109-D111 PolarHBondContact O-N 3.43Å; D111-R114 WeakPolarHBondContact O-CD 3.26Å; D111-R114 WeakPolarHBondContact O-CG 3.45Å |
| 112 | E | 94.2 | Very high | 90.7 | Very high | 97 Ų | 97 | 44.4 Ų | 44.4 | 45% | 0.453 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -42.8 | 176 | -174.8 | 178.8 | -173.7 | 0 | 0 | 110.6 | L109 R114 F123 Q131 | L109-E112 PolarHBondContact O-N 3.21Å; E112-R114 PolarHBondContact O-N 3.5Å; E112-F123 HydrophobicContact CG-CZ 4.13Å; E112-F123 WeakPolarHBondContact O-CE1 3.44Å; E112-Q131 PolarHBondContact OE2-NE2 3.31Å |
| 113 | F | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -97 | 55.7 | -177.5 | -70.8 | -85.3 | 0 | 0 | 0 | 112.1 | F59 G68 I69 L109 A110 F123 F128 | F59-F113 HydrophobicContact CB-CD1 4.46Å; F59-F113 AromaticContact CD1-CD1 3.69Å; F59-F113 HydrophobicContact CD1-CD1 3.69Å; F59-F113 HydrophobicContact CD1-CE1 4.27Å; F59-F113 HydrophobicContact CD2-CB 3.9Å; F59-F113 HydrophobicContact CD2-CD1 4.07Å; F59-F113 HydrophobicContact CD2-CG 4.48Å; F59-F113 AromaticContact CE1-CD1 3.82Å; F59-F113 HydrophobicContact CE1-CD1 3.82Å; F59-F113 HydrophobicContact CE1-CE1 4.46Å; F59-F113 HydrophobicContact CE2-CB 3.91Å; F59-F113 HydrophobicContact CE2-CD1 4.22Å; F59-F113 VanDerWaalsContact CE2-O 3.31Å; F59-F113 WeakPolarHBondContact CE2-O 3.42Å; F59-F113 HydrophobicContact CG-CB 4.46Å; F59-F113 AromaticContact CG-CD1 3.83Å; F59-F113 HydrophobicContact CG-CD1 3.83Å; F59-F113 HydrophobicContact CZ-CB 4.43Å; F59-F113 HydrophobicContact CZ-CD1 4.1Å; G68-F113 PolarHBondContact N-O 2.91Å; I69-F113 HydrophobicContact CD1-CB 3.97Å; I69-F113 HydrophobicContact CG1-CB 3.72Å; L109-F113 HydrophobicContact CB-CD2 4.01Å; L109-F113 HydrophobicContact CD2-CD2 4.38Å; L109-F113 HydrophobicContact CD2-CE2 4.14Å; L109-F113 WeakPolarHBondContact O-CD2 3.44Å; L109-F113 PolarHBondContact O-N 3.43Å; A110-F113 CarbonylContact O-C 3.45Å; F113-F123 AromaticContact CD1-CE1 3.84Å; F113-F123 HydrophobicContact CD1-CE1 3.84Å; F113-F123 AromaticContact CD1-CZ 3.65Å; F113-F123 HydrophobicContact CD1-CZ 3.65Å; F113-F123 HydrophobicContact CE1-CE1 4.03Å; F113-F123 AromaticContact CE1-CE2 3.92Å; F113-F123 HydrophobicContact CE1-CE2 3.92Å; F113-F123 AromaticContact CE1-CZ 3.45Å; F113-F123 HydrophobicContact CE1-CZ 3.45Å; F113-F123 VanDerWaalsContact CE1-CZ 3.45Å; F113-F123 HydrophobicContact CE2-CZ 4.4Å; F113-F123 HydrophobicContact CG-CE1 4.47Å; F113-F123 HydrophobicContact CG-CZ 4.22Å; F113-F123 HydrophobicContact CZ-CE2 4.19Å; F113-F123 AromaticContact CZ-CZ 3.88Å; F113-F123 HydrophobicContact CZ-CZ 3.88Å; F113-F128 HydrophobicContact CD1-CB 3.71Å; F113-F128 AromaticContact CD1-CD2 3.89Å; F113-F128 HydrophobicContact CD1-CD2 3.89Å; F113-F128 HydrophobicContact CD1-CG 4.25Å; F113-F128 HydrophobicContact CD2-CD2 4.06Å; F113-F128 HydrophobicContact CE1-CB 3.43Å; F113-F128 VanDerWaalsContact CE1-CB 3.43Å; F113-F128 HydrophobicContact CE1-CD2 4.07Å; F113-F128 HydrophobicContact CE1-CG 4.27Å; F113-F128 HydrophobicContact CE2-CD2 4.23Å; F113-F128 AromaticContact CG-CD2 3.87Å; F113-F128 HydrophobicContact CG-CD2 3.87Å; F113-F128 HydrophobicContact CZ-CB 4.07Å; F113-F128 HydrophobicContact CZ-CD2 4.23Å |
| 114 | R | 91.7 | Very high | 90.1 | Very high | 92 Ų | 92 | 44.3 Ų | 44.3 | 35% | 0.347 | 22% | 0.224 | S | C | . | . | B | Isolated β-bridge | trans | -72.3 | 145.3 | 171.4 | -64.9 | 161.9 | 51 | 150 | -4.5 | 111.1 | F59 S66 D111 E112 D116 A117 | F59-R114 WeakPolarHBondContact CE2-O 3.46Å; F59-R114 WeakPolarHBondContact CZ-O 3.36Å; S66-R114 CarbonylContact O-C 3.42Å; S66-R114 VanDerWaalsContact O-CA 3.25Å; S66-R114 WeakPolarHBondContact O-CA 3.47Å; D111-R114 WeakPolarHBondContact O-CD 3.26Å; D111-R114 WeakPolarHBondContact O-CG 3.45Å; E112-R114 PolarHBondContact O-N 3.5Å; R114-D116 WeakPolarHBondContact CB-OD1 3.34Å; R114-D116 IonicContact CZ-OD1 2.92Å; R114-D116 IonicContact CZ-OD2 3.61Å; R114-D116 IonicContact NE-OD1 3.73Å; R114-D116 PolarHBondContact NE-OD1 3.21Å; R114-D116 IonicContact NE-OD2 3.53Å; R114-D116 IonicContact NH2-OD1 3.52Å; R114-D116 IonicContact NH2-OD2 3.65Å; R114-D116 PolarHBondContact NH2-OD2 3.12Å; R114-D116 PolarHBondContact O-N 3.27Å; R114-A117 HydrophobicContact CB-CB 4.32Å; R114-A117 WeakPolarHBondContact O-CB 3.42Å; R114-A117 PolarHBondContact O-N 3.17Å; R114-A117 VanDerWaalsContact O-N 3.13Å |
| 115 | G | 85.8 | Confident | 89.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -64.9 | -31 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G61 H62 S66 A117 Y118 | G61-G115 WeakPolarHBondContact CA-O 3.32Å; H62-G115 VanDerWaalsContact CE1-CA 3.47Å; H62-G115 WeakPolarHBondContact CE1-CA 3.24Å; H62-G115 PolarHBondContact N-O 3.37Å; H62-G115 VanDerWaalsContact N-O 3.13Å; H62-G115 CarbonylContact O-C 3.55Å; H62-G115 VanDerWaalsContact O-O 3.08Å; S66-G115 PolarHBondContact O-N 2.92Å; G115-A117 VanDerWaalsContact C-N 3.25Å; G115-A117 PolarHBondContact O-N 2.84Å; G115-Y118 VanDerWaalsContact O-CB 3.28Å; G115-Y118 WeakPolarHBondContact O-CB 3.42Å; G115-Y118 PolarHBondContact O-N 3.41Å |
| 116 | D | 86.5 | Confident | 89.8 | Confident | 51 Ų | 51 | 35.7 Ų | 35.7 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -73.3 | -17.8 | 176.8 | 65.5 | -17.4 | 0 | 0 | 0 | 113.4 | H62 F64 R114 Y118 | H62-D116 VanDerWaalsContact O-CA 3.25Å; H62-D116 WeakPolarHBondContact O-CA 3.43Å; H62-D116 PolarHBondContact O-N 2.98Å; F64-D116 PolarHBondContact O-N 3.37Å; R114-D116 WeakPolarHBondContact CB-OD1 3.34Å; R114-D116 IonicContact CZ-OD1 2.92Å; R114-D116 IonicContact CZ-OD2 3.61Å; R114-D116 IonicContact NE-OD1 3.73Å; R114-D116 PolarHBondContact NE-OD1 3.21Å; R114-D116 IonicContact NE-OD2 3.53Å; R114-D116 IonicContact NH2-OD1 3.52Å; R114-D116 IonicContact NH2-OD2 3.65Å; R114-D116 PolarHBondContact NH2-OD2 3.12Å; R114-D116 PolarHBondContact O-N 3.27Å; D116-Y118 VanDerWaalsContact C-N 3.33Å |
| 117 | A | 88.8 | Confident | 89.7 | Confident | 44 Ų | 44 | 38.2 Ų | 38.2 | 36% | 0.364 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -83.9 | -7.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | R114 G115 H119 F123 | R114-A117 HydrophobicContact CB-CB 4.32Å; R114-A117 WeakPolarHBondContact O-CB 3.42Å; R114-A117 PolarHBondContact O-N 3.17Å; R114-A117 VanDerWaalsContact O-N 3.13Å; G115-A117 VanDerWaalsContact C-N 3.25Å; G115-A117 PolarHBondContact O-N 2.84Å; A117-H119 PolarHBondContact O-N 3.44Å; A117-F123 HydrophobicContact CB-CD1 4.27Å; A117-F123 HydrophobicContact CB-CE1 4.32Å; A117-F123 WeakPolarHBondContact O-CD1 3.44Å |
| 118 | Y | 87.3 | Confident | 89.8 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | trans | -63.3 | 128.1 | -176.3 | -168.7 | -79.1 | 0 | 0 | 0 | 111.8 | F59 G60 G115 D116 N124 C125 P169 F238 | F59-Y118 AromaticContact CD1-CD2 3.56Å; F59-Y118 HydrophobicContact CD1-CD2 3.56Å; F59-Y118 AromaticContact CD1-CE2 3.78Å; F59-Y118 HydrophobicContact CD1-CE2 3.78Å; F59-Y118 HydrophobicContact CD2-CD2 4.4Å; F59-Y118 AromaticContact CE1-CD2 3.31Å; F59-Y118 HydrophobicContact CE1-CD2 3.31Å; F59-Y118 AromaticContact CE1-CE2 3.95Å; F59-Y118 HydrophobicContact CE1-CE2 3.95Å; F59-Y118 HydrophobicContact CE1-CG 4.12Å; F59-Y118 HydrophobicContact CE2-CD2 4.17Å; F59-Y118 HydrophobicContact CG-CD2 4.12Å; F59-Y118 HydrophobicContact CG-CE2 4.35Å; F59-Y118 AromaticContact CZ-CD2 3.64Å; F59-Y118 HydrophobicContact CZ-CD2 3.64Å; F59-Y118 HydrophobicContact CZ-CG 4.23Å; F59-Y118 WeakPolarHBondContact O-CE2 3.49Å; G60-Y118 VanDerWaalsContact C-CD2 3.42Å; G115-Y118 VanDerWaalsContact O-CB 3.28Å; G115-Y118 WeakPolarHBondContact O-CB 3.42Å; G115-Y118 PolarHBondContact O-N 3.41Å; D116-Y118 VanDerWaalsContact C-N 3.33Å; Y118-N124 HydrophobicContact CE1-CB 4.4Å; Y118-N124 HydrophobicContact CE2-CB 4.42Å; Y118-C125 PolarHBondContact OH-N 2.85Å; Y118-P169 HydrophobicContact CD1-CG 4.07Å; Y118-F238 HydrophobicContact CE1-CZ 4.36Å; Y118-F238 AromaticContact CZ-CZ 3.98Å; Y118-F238 WeakPolarHBondContact OH-CZ 3.4Å | ||
| 119 | H | 84 | Confident | 89.9 | Confident | 16 Ų | 16 | 33.5 Ų | 33.5 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | B | Isolated β-bridge | trans | -138.3 | 116.5 | 178.9 | -160.9 | -64.7 | 0 | 0 | 0 | 110.7 | A117 L121 H122 F123 N124 E159 I167 R168 | A117-H119 PolarHBondContact O-N 3.44Å; H119-L121 PolarHBondContact O-N 2.74Å; H119-H122 HydrophobicContact CB-CB 4.41Å; H119-H122 AromaticContact CE1-CD2 3.53Å; H119-H122 AromaticContact ND1-CD2 3.81Å; H119-H122 PolarHBondContact O-N 3.06Å; H119-F123 CarbonylContact C-O 3.43Å; H119-F123 HydrophobicContact CB-CB 4.08Å; H119-F123 PolarHBondContact N-O 3.33Å; H119-F123 CarbonylContact O-C 3.58Å; H119-F123 PolarHBondContact O-N 2.75Å; H119-F123 VanDerWaalsContact O-O 3.08Å; H119-N124 WeakPolarHBondContact O-CB 3.28Å; H119-N124 PolarHBondContact O-N 3.3Å; H119-E159 IonicContact CE1-OE1 3.41Å; H119-I167 CarbonylContact C-O 3.04Å; H119-I167 WeakPolarHBondContact CA-O 3.32Å; H119-I167 WeakPolarHBondContact CE1-CG2 3.37Å; H119-I167 WeakPolarHBondContact NE2-CG2 3.32Å; H119-R168 PolarHBondContact CD2-NE 2.86Å; H119-R168 PolarHBondContact NE2-NE 3.11Å |
| 120 | L | 81.5 | Confident | 90 | Very high | 26 Ų | 26 | 35.7 Ų | 35.7 | 14% | 0.136 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -37 | -172.2 | -177.9 | 66.6 | 0 | 0 | 0 | 113.9 | N124 W166 I167 | L120-N124 WeakPolarHBondContact O-CB 3.43Å; L120-N124 PolarHBondContact O-ND2 3.46Å; L120-W166 WeakPolarHBondContact CB-O 3.23Å; L120-W166 HydrophobicContact CD2-CB 4.2Å; L120-W166 VanDerWaalsContact CD2-O 3.29Å; L120-W166 WeakPolarHBondContact CD2-O 3.32Å; L120-I167 PolarHBondContact N-O 3.44Å |
| 121 | L | 81.2 | Confident | 90.2 | Very high | 12 Ų | 12 | 38.4 Ų | 38.4 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -40.2 | -179.6 | -58 | -179.1 | 0 | 0 | 0 | 114.6 | H119 V152 E159 L162 | H119-L121 PolarHBondContact O-N 2.74Å; L121-V152 HydrophobicContact CD1-CG1 3.73Å; L121-V152 HydrophobicContact CD2-CB 4.03Å; L121-V152 HydrophobicContact CD2-CG1 3.59Å; L121-V152 HydrophobicContact CG-CG1 4.32Å; L121-E159 HydrophobicContact CD1-CG 4.11Å; L121-L162 HydrophobicContact CD1-CD1 4.06Å; L121-L162 HydrophobicContact CD2-CD1 4.37Å |
| 122 | H | 84 | Confident | 90.5 | Very high | 95 Ų | 95 | 31.9 Ų | 31.9 | 44% | 0.44 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | -24.5 | -165.9 | -70 | -64.6 | 0 | 0 | 0 | 114.2 | H119 H127 S153 E159 | H119-H122 HydrophobicContact CB-CB 4.41Å; H119-H122 AromaticContact CE1-CD2 3.53Å; H119-H122 AromaticContact ND1-CD2 3.81Å; H119-H122 PolarHBondContact O-N 3.06Å; H122-H127 PolarHBondContact O-CE1 2.79Å; H122-H127 PolarHBondContact O-NE2 3.11Å; H122-S153 WeakPolarHBondContact CE1-CB 3.5Å; H122-E159 IonicContact CD2-OE1 3.9Å; H122-E159 IonicContact NE2-OE1 3.69Å |
| 123 | F | 89.8 | Confident | 90.7 | Very high | 47 Ų | 47 | 27.2 Ų | 27.2 | 21% | 0.206 | 14% | 0.139 | C | C | . | . | B | Isolated β-bridge | trans | -154.3 | 74.8 | -173.7 | -160 | -109.9 | 0 | 0 | 0 | 110.2 | F59 E112 F113 A117 H119 | F59-F123 AromaticContact CE1-CD1 3.84Å; F59-F123 HydrophobicContact CE1-CD1 3.84Å; F59-F123 AromaticContact CE1-CE1 3.93Å; F59-F123 HydrophobicContact CE1-CE1 3.93Å; F59-F123 WeakPolarHBondContact CE1-O 3.43Å; F59-F123 HydrophobicContact CZ-CD1 4.03Å; F59-F123 AromaticContact CZ-CE1 3.93Å; F59-F123 HydrophobicContact CZ-CE1 3.93Å; E112-F123 HydrophobicContact CG-CZ 4.13Å; E112-F123 WeakPolarHBondContact O-CE1 3.44Å; F113-F123 AromaticContact CD1-CE1 3.84Å; F113-F123 HydrophobicContact CD1-CE1 3.84Å; F113-F123 AromaticContact CD1-CZ 3.65Å; F113-F123 HydrophobicContact CD1-CZ 3.65Å; F113-F123 HydrophobicContact CE1-CE1 4.03Å; F113-F123 AromaticContact CE1-CE2 3.92Å; F113-F123 HydrophobicContact CE1-CE2 3.92Å; F113-F123 AromaticContact CE1-CZ 3.45Å; F113-F123 HydrophobicContact CE1-CZ 3.45Å; F113-F123 VanDerWaalsContact CE1-CZ 3.45Å; F113-F123 HydrophobicContact CE2-CZ 4.4Å; F113-F123 HydrophobicContact CG-CE1 4.47Å; F113-F123 HydrophobicContact CG-CZ 4.22Å; F113-F123 HydrophobicContact CZ-CE2 4.19Å; F113-F123 AromaticContact CZ-CZ 3.88Å; F113-F123 HydrophobicContact CZ-CZ 3.88Å; A117-F123 HydrophobicContact CB-CD1 4.27Å; A117-F123 HydrophobicContact CB-CE1 4.32Å; A117-F123 WeakPolarHBondContact O-CD1 3.44Å; H119-F123 CarbonylContact C-O 3.43Å; H119-F123 HydrophobicContact CB-CB 4.08Å; H119-F123 PolarHBondContact N-O 3.33Å; H119-F123 CarbonylContact O-C 3.58Å; H119-F123 PolarHBondContact O-N 2.75Å; H119-F123 VanDerWaalsContact O-O 3.08Å |
| 124 | N | 89.9 | Confident | 90.9 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.027 | 16% | 0.159 | C | C | . | . | trans | -117.7 | -178.4 | -169.9 | 66.7 | 32.9 | 0 | 0 | 0 | 111.8 | Y118 H119 L120 N126 H127 F128 N146 | Y118-N124 HydrophobicContact CE1-CB 4.4Å; Y118-N124 HydrophobicContact CE2-CB 4.42Å; H119-N124 WeakPolarHBondContact O-CB 3.28Å; H119-N124 PolarHBondContact O-N 3.3Å; L120-N124 WeakPolarHBondContact O-CB 3.43Å; L120-N124 PolarHBondContact O-ND2 3.46Å; N124-N126 PolarHBondContact O-N 3.12Å; N124-N126 VanDerWaalsContact O-N 3.11Å; N124-N126 WeakPolarHBondContact OD1-CA 3.48Å; N124-N126 VanDerWaalsContact OD1-CB 3.28Å; N124-N126 WeakPolarHBondContact OD1-CB 3.45Å; N124-N126 PolarHBondContact OD1-N 2.82Å; N124-H127 VanDerWaalsContact CG-ND1 3.26Å; N124-H127 PolarHBondContact N-ND1 3.46Å; N124-H127 WeakPolarHBondContact O-CB 3.29Å; N124-H127 PolarHBondContact O-N 3.16Å; N124-H127 PolarHBondContact OD1-N 2.82Å; N124-H127 PolarHBondContact OD1-ND1 3.13Å; N124-F128 PolarHBondContact O-N 3.1Å; N124-N146 PolarHBondContact ND2-OD1 3.23Å; N124-N146 VanDerWaalsContact ND2-OD1 3.16Å | ||
| 125 | C | 92.2 | Very high | 91.2 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.027 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -50.3 | -34.8 | 176.4 | 57.3 | 0 | 0 | 0 | 0 | 114.9 | H47 F59 Y118 H127 F128 T129 | H47-C125 WeakPolarHBondContact ND1-CB 3.14Å; H47-C125 PolarHBondContact ND1-SG 2.89Å; F59-C125 WeakPolarHBondContact O-CB 3.33Å; Y118-C125 PolarHBondContact OH-N 2.85Å; C125-H127 VanDerWaalsContact C-N 3.34Å; C125-H127 PolarHBondContact O-N 3.45Å; C125-F128 WeakPolarHBondContact O-CB 3.29Å; C125-F128 PolarHBondContact O-N 2.89Å; C125-T129 PolarHBondContact O-N 3.49Å; C125-T129 PolarHBondContact O-OG1 3.3Å; C125-T129 VanDerWaalsContact O-OG1 3.1Å |
| 126 | N | 93.4 | Very high | 91.8 | Very high | 8 Ų | 8 | 30.6 Ų | 30.6 | 4% | 0.043 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -73.9 | -26.1 | -179.1 | -57 | -43.1 | 0 | 0 | 0 | 112.7 | Y46 T48 N124 S130 L141 I145 N146 | Y46-N126 PolarHBondContact O-ND2 3.39Å; Y46-N126 PolarHBondContact O-OD1 3.38Å; T48-N126 WeakPolarHBondContact CG2-OD1 3.45Å; T48-N126 PolarHBondContact OG1-OD1 2.56Å; N124-N126 PolarHBondContact O-N 3.12Å; N124-N126 VanDerWaalsContact O-N 3.11Å; N124-N126 WeakPolarHBondContact OD1-CA 3.48Å; N124-N126 VanDerWaalsContact OD1-CB 3.28Å; N124-N126 WeakPolarHBondContact OD1-CB 3.45Å; N124-N126 PolarHBondContact OD1-N 2.82Å; N126-S130 WeakPolarHBondContact O-CB 3.45Å; N126-S130 PolarHBondContact O-N 2.84Å; N126-L141 HydrophobicContact CB-CD2 4.49Å; N126-I145 HydrophobicContact CB-CG2 4.1Å; N126-I145 WeakPolarHBondContact OD1-CG2 3.13Å; N126-N146 HydrophobicContact CB-CB 4.07Å |
| 127 | H | 93.9 | Very high | 92.2 | Very high | 55 Ų | 55 | 29.4 Ų | 29.4 | 26% | 0.255 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -70 | -46.7 | 173.5 | -61.4 | 84 | 0 | 0 | 0 | 109.8 | H122 N124 C125 S130 Q131 N146 | H122-H127 PolarHBondContact O-CE1 2.79Å; H122-H127 PolarHBondContact O-NE2 3.11Å; N124-H127 VanDerWaalsContact CG-ND1 3.26Å; N124-H127 PolarHBondContact N-ND1 3.46Å; N124-H127 WeakPolarHBondContact O-CB 3.29Å; N124-H127 PolarHBondContact O-N 3.16Å; N124-H127 PolarHBondContact OD1-N 2.82Å; N124-H127 PolarHBondContact OD1-ND1 3.13Å; C125-H127 VanDerWaalsContact C-N 3.34Å; C125-H127 PolarHBondContact O-N 3.45Å; H127-S130 PolarHBondContact O-N 3.1Å; H127-Q131 PolarHBondContact O-N 3.21Å; H127-N146 PolarHBondContact CE1-ND2 3Å; H127-N146 PolarHBondContact NE2-ND2 3.35Å |
| 128 | F | 96.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54.9 | -55.4 | 172.2 | 171.7 | -103.2 | 0 | 0 | 0 | 111.7 | F57 F59 I69 L106 L109 F113 N124 C125 S130 Q131 F132 | F57-F128 HydrophobicContact CB-CE1 4.21Å; F57-F128 HydrophobicContact CB-CZ 4.34Å; F59-F128 HydrophobicContact CB-CB 3.5Å; F59-F128 HydrophobicContact CB-CD1 3.94Å; F59-F128 HydrophobicContact CB-CD2 4.29Å; F59-F128 HydrophobicContact CB-CG 3.63Å; F59-F128 HydrophobicContact CD1-CB 4.2Å; F59-F128 HydrophobicContact CG-CB 4.14Å; I69-F128 HydrophobicContact CD1-CD2 4.37Å; I69-F128 HydrophobicContact CD1-CE2 3.71Å; I69-F128 HydrophobicContact CD1-CZ 4.48Å; I69-F128 HydrophobicContact CG1-CD2 4.22Å; I69-F128 HydrophobicContact CG1-CE2 3.79Å; I69-F128 HydrophobicContact CG1-CZ 4.37Å; I69-F128 HydrophobicContact CG2-CE2 4.14Å; I69-F128 HydrophobicContact CG2-CZ 3.87Å; L106-F128 HydrophobicContact CD2-CE2 4.43Å; L106-F128 HydrophobicContact CD2-CZ 3.95Å; L109-F128 HydrophobicContact CD1-CE2 4.19Å; F113-F128 HydrophobicContact CD1-CB 3.71Å; F113-F128 AromaticContact CD1-CD2 3.89Å; F113-F128 HydrophobicContact CD1-CD2 3.89Å; F113-F128 HydrophobicContact CD1-CG 4.25Å; F113-F128 HydrophobicContact CD2-CD2 4.06Å; F113-F128 HydrophobicContact CE1-CB 3.43Å; F113-F128 VanDerWaalsContact CE1-CB 3.43Å; F113-F128 HydrophobicContact CE1-CD2 4.07Å; F113-F128 HydrophobicContact CE1-CG 4.27Å; F113-F128 HydrophobicContact CE2-CD2 4.23Å; F113-F128 AromaticContact CG-CD2 3.87Å; F113-F128 HydrophobicContact CG-CD2 3.87Å; F113-F128 HydrophobicContact CZ-CB 4.07Å; F113-F128 HydrophobicContact CZ-CD2 4.23Å; N124-F128 PolarHBondContact O-N 3.1Å; C125-F128 WeakPolarHBondContact O-CB 3.29Å; C125-F128 PolarHBondContact O-N 2.89Å; F128-S130 PolarHBondContact O-N 3.04Å; F128-Q131 PolarHBondContact O-N 3.28Å; F128-Q131 VanDerWaalsContact O-N 3.14Å; F128-F132 HydrophobicContact CE1-CB 4.44Å; F128-F132 HydrophobicContact CE1-CD1 4.08Å; F128-F132 HydrophobicContact CE2-CB 4.28Å; F128-F132 HydrophobicContact CE2-CG 4.47Å; F128-F132 HydrophobicContact CZ-CB 4.15Å; F128-F132 AromaticContact CZ-CD1 3.82Å; F128-F132 HydrophobicContact CZ-CD1 3.82Å; F128-F132 HydrophobicContact CZ-CE1 4.43Å; F128-F132 HydrophobicContact CZ-CG 4.07Å; F128-F132 WeakPolarHBondContact O-CB 3.05Å; F128-F132 PolarHBondContact O-N 2.95Å |
| 129 | T | 96.7 | Very high | 93 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.9 | -40.3 | -179.6 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | V30 T48 C125 V133 L141 | V30-T129 HydrophobicContact CB-CG2 4.41Å; V30-T129 HydrophobicContact CG1-CG2 3.83Å; V30-T129 HydrophobicContact CG2-CG2 3.62Å; T48-T129 PolarHBondContact O-OG1 3.19Å; T48-T129 VanDerWaalsContact OG1-CB 3.29Å; T48-T129 WeakPolarHBondContact OG1-CB 3.31Å; T48-T129 PolarHBondContact OG1-OG1 3.34Å; C125-T129 PolarHBondContact O-N 3.49Å; C125-T129 PolarHBondContact O-OG1 3.3Å; C125-T129 VanDerWaalsContact O-OG1 3.1Å; T129-V133 HydrophobicContact CG2-CG2 4.24Å; T129-V133 VanDerWaalsContact O-CB 3.26Å; T129-V133 WeakPolarHBondContact O-CB 3.49Å; T129-V133 WeakPolarHBondContact O-CG2 3.38Å; T129-V133 PolarHBondContact O-N 3.43Å; T129-L141 HydrophobicContact CG2-CD1 3.95Å; T129-L141 HydrophobicContact CG2-CD2 4.1Å |
| 130 | S | 96.7 | Very high | 93.5 | Very high | 52 Ų | 52 | 40 Ų | 40 | 36% | 0.364 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.5 | -47.1 | 177.7 | -170.6 | 0 | 0 | 0 | 0 | 112.2 | N126 H127 F128 D134 | N126-S130 WeakPolarHBondContact O-CB 3.45Å; N126-S130 PolarHBondContact O-N 2.84Å; H127-S130 PolarHBondContact O-N 3.1Å; F128-S130 PolarHBondContact O-N 3.04Å; S130-D134 WeakPolarHBondContact O-CB 3.46Å; S130-D134 PolarHBondContact O-N 3.3Å |
| 131 | Q | 97.3 | Very high | 94.1 | Very high | 61 Ų | 61 | 39.5 Ų | 39.5 | 29% | 0.285 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -69.3 | -42.3 | -179.3 | -176.1 | 171.7 | -0.5 | 0 | 0 | 111.5 | L109 E112 H127 F128 D134 L135 | L109-Q131 HydrophobicContact CD2-CG 4.32Å; E112-Q131 PolarHBondContact OE2-NE2 3.31Å; H127-Q131 PolarHBondContact O-N 3.21Å; F128-Q131 PolarHBondContact O-N 3.28Å; F128-Q131 VanDerWaalsContact O-N 3.14Å; Q131-D134 PolarHBondContact O-N 2.85Å; Q131-L135 HydrophobicContact CG-CD1 3.93Å; Q131-L135 WeakPolarHBondContact O-CD1 3.3Å; Q131-L135 VanDerWaalsContact O-CG 3.27Å; Q131-L135 WeakPolarHBondContact O-CG 3.43Å; Q131-L135 PolarHBondContact O-N 3.18Å |
| 132 | F | 97.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.7 | -41.7 | -178.2 | -171.9 | -141.2 | 0 | 0 | 0 | 112 | T50 F57 V102 L105 L106 L109 F128 D134 L135 L136 | T50-F132 HydrophobicContact CG2-CD1 3.7Å; T50-F132 HydrophobicContact CG2-CE1 3.92Å; F57-F132 HydrophobicContact CB-CD1 4.45Å; F57-F132 HydrophobicContact CB-CE1 3.92Å; F57-F132 AromaticContact CD2-CE1 3.88Å; F57-F132 HydrophobicContact CD2-CE1 3.88Å; F57-F132 HydrophobicContact CD2-CZ 4.36Å; F57-F132 HydrophobicContact CG-CE1 4.04Å; V102-F132 HydrophobicContact CG1-CE2 4.31Å; V102-F132 HydrophobicContact CG1-CZ 3.78Å; L105-F132 HydrophobicContact CD2-CD2 4.02Å; L105-F132 HydrophobicContact CD2-CE2 3.79Å; L105-F132 HydrophobicContact CG-CD2 4.39Å; L105-F132 HydrophobicContact CG-CE2 4.17Å; L106-F132 HydrophobicContact CD1-CZ 4.2Å; L106-F132 HydrophobicContact CD2-CD1 4.41Å; L106-F132 HydrophobicContact CD2-CD2 4.39Å; L106-F132 HydrophobicContact CD2-CE1 3.84Å; L106-F132 HydrophobicContact CD2-CE2 3.79Å; L106-F132 HydrophobicContact CD2-CZ 3.49Å; L106-F132 VanDerWaalsContact CD2-CZ 3.49Å; L106-F132 HydrophobicContact CG-CE2 3.97Å; L106-F132 HydrophobicContact CG-CZ 3.77Å; L109-F132 HydrophobicContact CD1-CB 4.45Å; L109-F132 HydrophobicContact CD1-CD2 4Å; F128-F132 HydrophobicContact CE1-CB 4.44Å; F128-F132 HydrophobicContact CE1-CD1 4.08Å; F128-F132 HydrophobicContact CE2-CB 4.28Å; F128-F132 HydrophobicContact CE2-CG 4.47Å; F128-F132 HydrophobicContact CZ-CB 4.15Å; F128-F132 AromaticContact CZ-CD1 3.82Å; F128-F132 HydrophobicContact CZ-CD1 3.82Å; F128-F132 HydrophobicContact CZ-CE1 4.43Å; F128-F132 HydrophobicContact CZ-CG 4.07Å; F128-F132 WeakPolarHBondContact O-CB 3.05Å; F128-F132 PolarHBondContact O-N 2.95Å; F132-D134 PolarHBondContact O-N 2.74Å; F132-L135 PolarHBondContact O-N 3.37Å; F132-L136 HydrophobicContact CD1-CD1 4.1Å; F132-L136 HydrophobicContact CD2-CD1 4.2Å; F132-L136 HydrophobicContact CD2-CG 4.06Å; F132-L136 HydrophobicContact CE1-CD1 3.84Å; F132-L136 HydrophobicContact CE2-CD1 3.96Å; F132-L136 HydrophobicContact CE2-CD2 3.95Å; F132-L136 HydrophobicContact CE2-CG 3.87Å; F132-L136 HydrophobicContact CG-CD1 4.26Å; F132-L136 HydrophobicContact CZ-CD1 3.77Å; F132-L136 HydrophobicContact CZ-CD2 4.2Å; F132-L136 HydrophobicContact CZ-CG 4.17Å; F132-L136 WeakPolarHBondContact O-CB 3.38Å; F132-L136 VanDerWaalsContact O-CG 3.24Å; F132-L136 WeakPolarHBondContact O-CG 3.37Å; F132-L136 PolarHBondContact O-N 3.23Å |
| 133 | V | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64 | -39.4 | 175 | 168.4 | 0 | 0 | 0 | 0 | 112.2 | V28 V30 T50 M92 T129 L136 C137 G139 | V28-V133 HydrophobicContact CG1-CG2 4.49Å; V30-V133 HydrophobicContact CG2-CG2 3.61Å; T50-V133 HydrophobicContact CG2-CG2 3.83Å; M92-V133 HydrophobicContact CB-CG1 3.62Å; M92-V133 HydrophobicContact CG-CG1 3.67Å; M92-V133 HydrophobicContact CG-CG2 4.18Å; M92-V133 HydrophobicContact SD-CG1 4.18Å; T129-V133 HydrophobicContact CG2-CG2 4.24Å; T129-V133 VanDerWaalsContact O-CB 3.26Å; T129-V133 WeakPolarHBondContact O-CB 3.49Å; T129-V133 WeakPolarHBondContact O-CG2 3.38Å; T129-V133 PolarHBondContact O-N 3.43Å; V133-L136 PolarHBondContact O-N 3.42Å; V133-C137 PolarHBondContact O-N 3.23Å; V133-C137 PolarHBondContact O-SG 2.99Å; V133-G139 PolarHBondContact O-N 3.2Å |
| 134 | D | 97.7 | Very high | 95 | Very high | 78 Ų | 78 | 46.1 Ų | 46.1 | 42% | 0.417 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.1 | -45.6 | 175.2 | -176.7 | 30.3 | 0 | 0 | 0 | 111.1 | S130 Q131 F132 L136 H138 | S130-D134 WeakPolarHBondContact O-CB 3.46Å; S130-D134 PolarHBondContact O-N 3.3Å; Q131-D134 PolarHBondContact O-N 2.85Å; F132-D134 PolarHBondContact O-N 2.74Å; D134-L136 VanDerWaalsContact C-N 3.33Å; D134-L136 PolarHBondContact O-N 2.83Å; D134-H138 VanDerWaalsContact O-CA 3.24Å; D134-H138 WeakPolarHBondContact O-CA 3.41Å; D134-H138 PolarHBondContact O-N 2.82Å; D134-H138 PolarHBondContact O-ND1 3.27Å; D134-H138 WeakPolarHBondContact OD1-CA 3.24Å; D134-H138 IonicContact OD1-ND1 2.87Å |
| 135 | L | 97.3 | Very high | 95 | Very high | 76 Ų | 76 | 46 Ų | 46 | 40% | 0.398 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.2 | -32.4 | 177.6 | -68.3 | 164.9 | 0 | 0 | 0 | 113.4 | L105 L109 Q131 F132 | L105-L135 HydrophobicContact CD1-CB 4.14Å; L105-L135 HydrophobicContact CD1-CD1 3.97Å; L105-L135 HydrophobicContact CD1-CG 4.44Å; L105-L135 HydrophobicContact CD2-CB 3.75Å; L105-L135 HydrophobicContact CG-CB 4.42Å; L109-L135 HydrophobicContact CD1-CD1 4.13Å; L109-L135 HydrophobicContact CD2-CD1 3.97Å; L109-L135 HydrophobicContact CG-CD1 4.44Å; Q131-L135 HydrophobicContact CG-CD1 3.93Å; Q131-L135 WeakPolarHBondContact O-CD1 3.3Å; Q131-L135 VanDerWaalsContact O-CG 3.27Å; Q131-L135 WeakPolarHBondContact O-CG 3.43Å; Q131-L135 PolarHBondContact O-N 3.18Å; F132-L135 PolarHBondContact O-N 3.37Å |
| 136 | L | 97.3 | Very high | 94.6 | Very high | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76.8 | -43.6 | -179.7 | -75 | 176 | 0 | 0 | 0 | 113.1 | V28 T50 V52 T95 L97 V102 L105 F132 V133 D134 | V28-L136 HydrophobicContact CG1-CD1 3.99Å; V28-L136 HydrophobicContact CG2-CB 4.25Å; V28-L136 HydrophobicContact CG2-CD1 4.34Å; T50-L136 HydrophobicContact CG2-CD1 3.78Å; V52-L136 HydrophobicContact CG1-CD1 4.21Å; T95-L136 WeakPolarHBondContact CA-O 3.27Å; T95-L136 WeakPolarHBondContact CB-O 3.19Å; T95-L136 PolarHBondContact OG1-O 3.03Å; L97-L136 HydrophobicContact CD1-CD2 4.14Å; V102-L136 HydrophobicContact CG1-CD2 4.28Å; V102-L136 HydrophobicContact CG2-CD2 3.83Å; L105-L136 HydrophobicContact CD2-CD2 4.02Å; L105-L136 HydrophobicContact CD2-CG 4.41Å; F132-L136 HydrophobicContact CD1-CD1 4.1Å; F132-L136 HydrophobicContact CD2-CD1 4.2Å; F132-L136 HydrophobicContact CD2-CG 4.06Å; F132-L136 HydrophobicContact CE1-CD1 3.84Å; F132-L136 HydrophobicContact CE2-CD1 3.96Å; F132-L136 HydrophobicContact CE2-CD2 3.95Å; F132-L136 HydrophobicContact CE2-CG 3.87Å; F132-L136 HydrophobicContact CG-CD1 4.26Å; F132-L136 HydrophobicContact CZ-CD1 3.77Å; F132-L136 HydrophobicContact CZ-CD2 4.2Å; F132-L136 HydrophobicContact CZ-CG 4.17Å; F132-L136 WeakPolarHBondContact O-CB 3.38Å; F132-L136 VanDerWaalsContact O-CG 3.24Å; F132-L136 WeakPolarHBondContact O-CG 3.37Å; F132-L136 PolarHBondContact O-N 3.23Å; V133-L136 PolarHBondContact O-N 3.42Å; D134-L136 VanDerWaalsContact C-N 3.33Å; D134-L136 PolarHBondContact O-N 2.83Å |
| 137 | C | 96.5 | Very high | 94.2 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 17% | 0.169 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -150.7 | 14.3 | -168.9 | 68.5 | 0 | 0 | 0 | 0 | 115.2 | V28 R94 V133 G139 | V28-C137 HydrophobicContact CG2-CB 4.35Å; R94-C137 VanDerWaalsContact O-CB 3.29Å; R94-C137 WeakPolarHBondContact O-CB 3.19Å; V133-C137 PolarHBondContact O-N 3.23Å; V133-C137 PolarHBondContact O-SG 2.99Å; C137-G139 PolarHBondContact O-N 3.31Å |
| 138 | H | 96.4 | Very high | 93.5 | Very high | 156 Ų | 156 | 54 Ų | 54 | 72% | 0.722 | 27% | 0.269 | S | S | * | . | trans | 55 | 29.4 | -173.6 | -57.1 | -55.2 | 0 | 0 | 0 | 113.6 | D134 | D134-H138 VanDerWaalsContact O-CA 3.24Å; D134-H138 WeakPolarHBondContact O-CA 3.41Å; D134-H138 PolarHBondContact O-N 2.82Å; D134-H138 PolarHBondContact O-ND1 3.27Å; D134-H138 WeakPolarHBondContact OD1-CA 3.24Å; D134-H138 IonicContact OD1-ND1 2.87Å | ||
| 139 | G | 94.9 | Very high | 92.7 | Very high | 8 Ų | 8 | 54.5 Ų | 54.5 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | trans | -76.7 | 149 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | V133 C137 | V133-G139 PolarHBondContact O-N 3.2Å; C137-G139 PolarHBondContact O-N 3.31Å | ||
| 140 | V | 95.4 | Very high | 91.9 | Very high | 123 Ų | 123 | 62.1 Ų | 62.1 | 75% | 0.745 | 30% | 0.301 | S | S | * | . | trans | -113.9 | 121.3 | 178.5 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 141 | L | 94.4 | Very high | 91.1 | Very high | 15 Ų | 15 | 63.9 Ų | 63.9 | 8% | 0.079 | 31% | 0.306 | C | S | . | . | trans | -66.7 | 132 | 178.9 | -163.2 | 64.1 | 0 | 0 | 0 | 110.7 | V30 M92 N126 T129 K143 I145 | V30-L141 HydrophobicContact CG1-CD1 4.13Å; V30-L141 HydrophobicContact CG2-CD1 4.24Å; M92-L141 HydrophobicContact CE-CD1 3.99Å; N126-L141 HydrophobicContact CB-CD2 4.49Å; T129-L141 HydrophobicContact CG2-CD1 3.95Å; T129-L141 HydrophobicContact CG2-CD2 4.1Å; L141-K143 PolarHBondContact O-N 2.92Å; L141-I145 HydrophobicContact CD1-CD1 3.51Å; L141-I145 HydrophobicContact CD2-CB 4.45Å; L141-I145 HydrophobicContact CD2-CD1 4.37Å; L141-I145 HydrophobicContact CD2-CG2 4.02Å; L141-I145 HydrophobicContact CG-CB 4.43Å; L141-I145 HydrophobicContact CG-CD1 3.72Å; L141-I145 HydrophobicContact CG-CG2 4.45Å | ||
| 142 | P | 93.6 | Very high | 90.3 | Very high | 40 Ų | 40 | 62.1 Ų | 62.1 | 26% | 0.26 | 30% | 0.299 | S | S | . | . | trans | -55.6 | 130.1 | 178 | -30.8 | 35.9 | 0 | 0 | 0 | 113.3 | L90 W144 I145 | L90-P142 HydrophobicContact CD1-CG 3.98Å; P142-W144 HydrophobicContact CB-CD2 4.46Å; P142-W144 HydrophobicContact CB-CG 4.28Å; P142-W144 HydrophobicContact CB-CZ2 4.48Å; P142-W144 PolarHBondContact O-N 3.38Å; P142-I145 HydrophobicContact CB-CD1 4.24Å; P142-I145 HydrophobicContact CG-CD1 4.27Å; P142-I145 WeakPolarHBondContact O-CB 3.44Å; P142-I145 PolarHBondContact O-N 3.07Å | ||
| 143 | K | 90.7 | Very high | 89.4 | Confident | 171 Ų | 171 | 64.2 Ų | 64.2 | 74% | 0.743 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -24.7 | -175.2 | -64.8 | -179.5 | -179.1 | 176.3 | 0 | 114.2 | L141 I145 R147 | L141-K143 PolarHBondContact O-N 2.92Å; K143-I145 VanDerWaalsContact C-N 3.3Å; K143-R147 PolarHBondContact O-N 3.11Å |
| 144 | W | 89.8 | Confident | 88.5 | Confident | 83 Ų | 83 | 67 Ų | 67 | 31% | 0.314 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -25.3 | -179.9 | 62.2 | -102.9 | 0 | 0 | 0 | 113.2 | V32 Y46 K87 E88 L90 P142 N146 R147 | V32-W144 HydrophobicContact CB-CH2 4.49Å; V32-W144 HydrophobicContact CG1-CH2 3.92Å; V32-W144 HydrophobicContact CG1-CZ3 4.08Å; V32-W144 HydrophobicContact CG2-CH2 4.14Å; Y46-W144 HydrophobicContact CD1-CZ3 4.02Å; Y46-W144 AromaticContact CD2-CE3 3.96Å; Y46-W144 HydrophobicContact CD2-CE3 3.96Å; Y46-W144 AromaticContact CD2-CZ3 3.89Å; Y46-W144 HydrophobicContact CD2-CZ3 3.89Å; Y46-W144 AromaticContact CE1-CZ3 3.91Å; Y46-W144 HydrophobicContact CE1-CZ3 3.91Å; Y46-W144 AromaticContact CE2-CE3 3.66Å; Y46-W144 HydrophobicContact CE2-CE3 3.66Å; Y46-W144 AromaticContact CE2-CZ3 3.79Å; Y46-W144 HydrophobicContact CE2-CZ3 3.79Å; Y46-W144 HydrophobicContact CG-CZ3 4Å; Y46-W144 AromaticContact CZ-CE3 3.99Å; Y46-W144 AromaticContact CZ-CZ3 3.8Å; K87-W144 HydrophobicContact CD-CH2 4.26Å; K87-W144 HydrophobicContact CD-CZ3 4.41Å; E88-W144 WeakPolarHBondContact OE1-CH2 3.3Å; E88-W144 VanDerWaalsContact OE1-CZ2 3.3Å; E88-W144 WeakPolarHBondContact OE1-CZ2 3.33Å; L90-W144 HydrophobicContact CD1-CZ2 4.13Å; P142-W144 HydrophobicContact CB-CD2 4.46Å; P142-W144 HydrophobicContact CB-CG 4.28Å; P142-W144 HydrophobicContact CB-CZ2 4.48Å; P142-W144 PolarHBondContact O-N 3.38Å; W144-N146 PolarHBondContact O-N 3.36Å; W144-R147 WeakPolarHBondContact O-CB 3.42Å; W144-R147 PolarHBondContact O-N 3.02Å |
| 145 | I | 89.3 | Confident | 87.7 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.01 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -45.9 | -176.8 | -72.9 | 170.7 | 0 | 0 | 0 | 111 | V32 Y46 T48 L90 N126 L141 P142 K143 | V32-I145 HydrophobicContact CG2-CD1 4.17Å; Y46-I145 WeakPolarHBondContact CD2-O 3.34Å; T48-I145 HydrophobicContact CG2-CD1 4.29Å; T48-I145 HydrophobicContact CG2-CG2 3.56Å; L90-I145 HydrophobicContact CD1-CD1 3.81Å; N126-I145 HydrophobicContact CB-CG2 4.1Å; N126-I145 WeakPolarHBondContact OD1-CG2 3.13Å; L141-I145 HydrophobicContact CD1-CD1 3.51Å; L141-I145 HydrophobicContact CD2-CB 4.45Å; L141-I145 HydrophobicContact CD2-CD1 4.37Å; L141-I145 HydrophobicContact CD2-CG2 4.02Å; L141-I145 HydrophobicContact CG-CB 4.43Å; L141-I145 HydrophobicContact CG-CD1 3.72Å; L141-I145 HydrophobicContact CG-CG2 4.45Å; P142-I145 HydrophobicContact CB-CD1 4.24Å; P142-I145 HydrophobicContact CG-CD1 4.27Å; P142-I145 WeakPolarHBondContact O-CB 3.44Å; P142-I145 PolarHBondContact O-N 3.07Å; K143-I145 VanDerWaalsContact C-N 3.3Å |
| 146 | N | 84.9 | Confident | 86.5 | Confident | 28 Ų | 28 | 68.9 Ų | 68.9 | 15% | 0.15 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 19 | 179.6 | -153.8 | 32.6 | 0 | 0 | 0 | 112.5 | N124 N126 H127 W144 A149 R150 | N124-N146 PolarHBondContact ND2-OD1 3.23Å; N124-N146 VanDerWaalsContact ND2-OD1 3.16Å; N126-N146 HydrophobicContact CB-CB 4.07Å; H127-N146 PolarHBondContact CE1-ND2 3Å; H127-N146 PolarHBondContact NE2-ND2 3.35Å; W144-N146 PolarHBondContact O-N 3.36Å; N146-A149 VanDerWaalsContact OD1-CB 3.24Å; N146-A149 WeakPolarHBondContact OD1-CB 3.27Å; N146-R150 VanDerWaalsContact O-CG 3.3Å; N146-R150 WeakPolarHBondContact O-CG 3.33Å; N146-R150 PolarHBondContact O-N 2.85Å |
| 147 | R | 85 | Confident | 85.4 | Confident | 159 Ų | 159 | 76.3 Ų | 76.3 | 60% | 0.6 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -67.7 | -40 | -175.1 | -177.1 | 177 | -175.3 | -173.4 | 1.2 | 112.2 | K143 W144 R150 I151 | K143-R147 PolarHBondContact O-N 3.11Å; W144-R147 WeakPolarHBondContact O-CB 3.42Å; W144-R147 PolarHBondContact O-N 3.02Å; R147-R150 PolarHBondContact O-N 3.42Å; R147-I151 HydrophobicContact CG-CD1 3.74Å; R147-I151 HydrophobicContact CG-CG1 4.32Å; R147-I151 WeakPolarHBondContact O-CG1 3.17Å; R147-I151 PolarHBondContact O-N 3.33Å |
| 148 | L | 79.2 | Confident | 84.3 | Confident | 49 Ų | 49 | 77.2 Ų | 77.2 | 26% | 0.257 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.6 | -52 | 179.3 | -177.1 | 69.1 | 0 | 0 | 0 | 110.5 | M43 A45 R150 I151 V152 | M43-L148 WeakPolarHBondContact O-CD2 3.41Å; A45-L148 HydrophobicContact CB-CD2 3.81Å; L148-R150 VanDerWaalsContact C-N 3.27Å; L148-R150 PolarHBondContact O-N 2.88Å; L148-I151 PolarHBondContact O-N 2.89Å; L148-V152 HydrophobicContact CD1-CG2 3.84Å; L148-V152 HydrophobicContact CG-CG2 4.01Å; L148-V152 WeakPolarHBondContact O-CB 3.37Å; L148-V152 VanDerWaalsContact O-CG2 3.23Å; L148-V152 WeakPolarHBondContact O-CG2 3.34Å; L148-V152 PolarHBondContact O-N 2.77Å |
| 149 | A | 79.2 | Confident | 82.9 | Confident | 10 Ų | 10 | 73.7 Ų | 73.7 | 8% | 0.083 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -54.8 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | N146 S153 | N146-A149 VanDerWaalsContact OD1-CB 3.24Å; N146-A149 WeakPolarHBondContact OD1-CB 3.27Å; A149-S153 VanDerWaalsContact O-CB 3.23Å; A149-S153 WeakPolarHBondContact O-CB 3.38Å; A149-S153 PolarHBondContact O-N 3.37Å; A149-S153 PolarHBondContact O-OG 2.87Å |
| 150 | R | 79.2 | Confident | 81.6 | Confident | 159 Ų | 159 | 78.8 Ų | 78.8 | 60% | 0.6 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.3 | -37 | 175.9 | -74.4 | 170.4 | 49.7 | 153.6 | 3.5 | 114.7 | N146 R147 L148 S153 | N146-R150 VanDerWaalsContact O-CG 3.3Å; N146-R150 WeakPolarHBondContact O-CG 3.33Å; N146-R150 PolarHBondContact O-N 2.85Å; R147-R150 PolarHBondContact O-N 3.42Å; L148-R150 VanDerWaalsContact C-N 3.27Å; L148-R150 PolarHBondContact O-N 2.88Å; R150-S153 WeakPolarHBondContact CA-OG 3.32Å; R150-S153 PolarHBondContact O-OG 3.18Å |
| 151 | I | 80.4 | Confident | 80.4 | Confident | 90 Ų | 90 | 81 Ų | 81 | 46% | 0.462 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -73.7 | -48.1 | 178.6 | -70.5 | 170.6 | 0 | 0 | 0 | 109.2 | R147 L148 G154 | R147-I151 HydrophobicContact CG-CD1 3.74Å; R147-I151 HydrophobicContact CG-CG1 4.32Å; R147-I151 WeakPolarHBondContact O-CG1 3.17Å; R147-I151 PolarHBondContact O-N 3.33Å; L148-I151 PolarHBondContact O-N 2.89Å; I151-G154 PolarHBondContact O-N 3.47Å |
| 152 | V | 79.3 | Confident | 79.2 | Confident | 23 Ų | 23 | 81.8 Ų | 81.8 | 14% | 0.139 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.1 | -52.6 | -178.3 | 172.9 | 0 | 0 | 0 | 0 | 109.5 | L121 L148 G154 L155 I158 L162 | L121-V152 HydrophobicContact CD1-CG1 3.73Å; L121-V152 HydrophobicContact CD2-CB 4.03Å; L121-V152 HydrophobicContact CD2-CG1 3.59Å; L121-V152 HydrophobicContact CG-CG1 4.32Å; L148-V152 HydrophobicContact CD1-CG2 3.84Å; L148-V152 HydrophobicContact CG-CG2 4.01Å; L148-V152 WeakPolarHBondContact O-CB 3.37Å; L148-V152 VanDerWaalsContact O-CG2 3.23Å; L148-V152 WeakPolarHBondContact O-CG2 3.34Å; L148-V152 PolarHBondContact O-N 2.77Å; V152-G154 PolarHBondContact O-N 3.16Å; V152-L155 PolarHBondContact O-N 3.26Å; V152-I158 HydrophobicContact CG1-CB 4.35Å; V152-I158 HydrophobicContact CG1-CG1 3.73Å; V152-I158 HydrophobicContact CG1-CG2 3.64Å; V152-I158 WeakPolarHBondContact O-CG2 3.42Å; V152-L162 HydrophobicContact CG1-CD1 4.18Å |
| 153 | S | 79.2 | Confident | 78 | Confident | 44 Ų | 44 | 81.7 Ų | 81.7 | 31% | 0.308 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.1 | 177.6 | 52.2 | 0 | 0 | 0 | 0 | 115.6 | H122 A149 R150 | H122-S153 WeakPolarHBondContact CE1-CB 3.5Å; A149-S153 VanDerWaalsContact O-CB 3.23Å; A149-S153 WeakPolarHBondContact O-CB 3.38Å; A149-S153 PolarHBondContact O-N 3.37Å; A149-S153 PolarHBondContact O-OG 2.87Å; R150-S153 WeakPolarHBondContact CA-OG 3.32Å; R150-S153 PolarHBondContact O-OG 3.18Å |
| 154 | G | 79.3 | Confident | 76.8 | Confident | 59 Ų | 59 | 77.6 Ų | 77.6 | 61% | 0.608 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | I151 V152 | I151-G154 PolarHBondContact O-N 3.47Å; V152-G154 PolarHBondContact O-N 3.16Å |
| 155 | L | 79.7 | Confident | 75.7 | Confident | 93 Ų | 93 | 75.1 Ų | 75.1 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -90.8 | 125 | -178.9 | -66.1 | 175.4 | 0 | 0 | 0 | 110.4 | V152 I158 | V152-L155 PolarHBondContact O-N 3.26Å; L155-I158 HydrophobicContact CB-CB 4.04Å; L155-I158 HydrophobicContact CB-CG2 4.37Å; L155-I158 WeakPolarHBondContact O-CG2 3.47Å; L155-I158 PolarHBondContact O-N 2.99Å |
| 156 | P | 73.8 | Confident | 74.6 | Confident | 101 Ų | 101 | 77.2 Ų | 77.2 | 66% | 0.656 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 140.7 | 176.3 | 28.6 | -34.3 | 0 | 0 | 0 | 110.2 | I158 | P156-I158 PolarHBondContact O-N 2.95Š|
| 157 | F | 73.7 | Confident | 73.9 | Confident | 164 Ų | 164 | 76.6 Ų | 76.6 | 72% | 0.719 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.9 | 4.7 | 178.2 | -42.5 | -74.5 | 0 | 0 | 0 | 116.7 | E159 T160 F161 | F157-E159 PolarHBondContact O-N 3.47Å; F157-T160 VanDerWaalsContact O-CB 3.26Å; F157-T160 WeakPolarHBondContact O-CB 3.45Å; F157-T160 PolarHBondContact O-N 3.02Å; F157-T160 PolarHBondContact O-OG1 3.2Å; F157-F161 WeakPolarHBondContact O-CD2 3.14Å |
| 158 | I | 72.4 | Confident | 73.5 | Confident | 44 Ų | 44 | 75 Ų | 75 | 23% | 0.226 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -64.4 | -31.3 | -179.1 | -160.9 | 55.2 | 0 | 0 | 0 | 112.7 | V152 L155 P156 T160 F161 L162 | V152-I158 HydrophobicContact CG1-CB 4.35Å; V152-I158 HydrophobicContact CG1-CG1 3.73Å; V152-I158 HydrophobicContact CG1-CG2 3.64Å; V152-I158 WeakPolarHBondContact O-CG2 3.42Å; L155-I158 HydrophobicContact CB-CB 4.04Å; L155-I158 HydrophobicContact CB-CG2 4.37Å; L155-I158 WeakPolarHBondContact O-CG2 3.47Å; L155-I158 PolarHBondContact O-N 2.99Å; P156-I158 PolarHBondContact O-N 2.95Å; I158-T160 PolarHBondContact O-N 3.31Å; I158-F161 HydrophobicContact CD1-CB 4.49Å; I158-F161 HydrophobicContact CD1-CD2 4.39Å; I158-F161 WeakPolarHBondContact O-CB 3.25Å; I158-F161 PolarHBondContact O-N 3.18Å; I158-L162 PolarHBondContact O-N 2.82Å |
| 159 | E | 67.1 | Low | 72.9 | Confident | 82 Ų | 82 | 73.6 Ų | 73.6 | 38% | 0.383 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -62.6 | -26.8 | 177 | -66.4 | -170.9 | 161.6 | 0 | 0 | 111.5 | H119 L121 H122 F157 F161 L162 I167 | H119-E159 IonicContact CE1-OE1 3.41Å; L121-E159 HydrophobicContact CD1-CG 4.11Å; H122-E159 IonicContact CD2-OE1 3.9Å; H122-E159 IonicContact NE2-OE1 3.69Å; F157-E159 PolarHBondContact O-N 3.47Å; E159-F161 PolarHBondContact O-N 3.26Å; E159-L162 PolarHBondContact O-N 2.81Å; E159-L162 VanDerWaalsContact O-O 3.05Å; E159-I167 HydrophobicContact CB-CD1 3.74Å; E159-I167 HydrophobicContact CG-CD1 4.1Å; E159-I167 WeakPolarHBondContact O-CD1 3.24Å |
| 160 | T | 68.5 | Low | 72.2 | Confident | 116 Ų | 116 | 74 Ų | 74 | 71% | 0.712 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -69.4 | -21.7 | 174.6 | -47 | 0 | 0 | 0 | 0 | 112.5 | F157 I158 | F157-T160 VanDerWaalsContact O-CB 3.26Å; F157-T160 WeakPolarHBondContact O-CB 3.45Å; F157-T160 PolarHBondContact O-N 3.02Å; F157-T160 PolarHBondContact O-OG1 3.2Å; I158-T160 PolarHBondContact O-N 3.31Å |
| 161 | F | 69.4 | Low | 71.2 | Confident | 169 Ų | 169 | 69.6 Ų | 69.6 | 74% | 0.741 | 38% | 0.375 | S | S | * | . | G | 310 helix | trans | -92.8 | -10.7 | 176.6 | -66.9 | -81.2 | 0 | 0 | 0 | 113.4 | F157 I158 E159 | F157-F161 WeakPolarHBondContact O-CD2 3.14Å; I158-F161 HydrophobicContact CD1-CB 4.49Å; I158-F161 HydrophobicContact CD1-CD2 4.39Å; I158-F161 WeakPolarHBondContact O-CB 3.25Å; I158-F161 PolarHBondContact O-N 3.18Å; E159-F161 PolarHBondContact O-N 3.26Å |
| 162 | L | 69.1 | Low | 70.1 | Confident | 31 Ų | 31 | 68.1 Ų | 68.1 | 16% | 0.162 | 37% | 0.367 | C | S | . | . | S | Bend | trans | -98.2 | 133.7 | 176.3 | -65.3 | 174.6 | 0 | 0 | 0 | 108.9 | L121 V152 I158 E159 W166 I167 | L121-L162 HydrophobicContact CD1-CD1 4.06Å; L121-L162 HydrophobicContact CD2-CD1 4.37Å; V152-L162 HydrophobicContact CG1-CD1 4.18Å; I158-L162 PolarHBondContact O-N 2.82Å; E159-L162 PolarHBondContact O-N 2.81Å; E159-L162 VanDerWaalsContact O-O 3.05Å; L162-W166 HydrophobicContact CD2-CE3 4.18Å; L162-W166 HydrophobicContact CD2-CZ3 4.47Å; L162-I167 HydrophobicContact CB-CD1 3.97Å; L162-I167 HydrophobicContact CB-CG1 3.88Å; L162-I167 HydrophobicContact CD1-CG1 4.42Å |
| 163 | P | 69.4 | Low | 68.8 | Low | 39 Ų | 39 | 71.8 Ų | 71.8 | 25% | 0.253 | 38% | 0.379 | S | S | . | . | trans | -51.3 | 130.9 | 171.7 | -27 | 34.8 | 0 | 0 | 0 | 110.7 | H165 W166 I167 | P163-H165 WeakPolarHBondContact CB-CE1 3.33Å; P163-H165 PolarHBondContact O-N 2.82Å; P163-H165 VanDerWaalsContact O-N 3.11Å; P163-W166 HydrophobicContact CB-CB 4.49Å; P163-W166 HydrophobicContact CB-CD2 4.1Å; P163-W166 HydrophobicContact CB-CG 3.98Å; P163-W166 VanDerWaalsContact CD-CE3 3.46Å; P163-W166 HydrophobicContact CG-CD2 3.69Å; P163-W166 HydrophobicContact CG-CE3 4.01Å; P163-W166 HydrophobicContact CG-CG 4.13Å; P163-W166 HydrophobicContact CG-CH2 4.25Å; P163-W166 HydrophobicContact CG-CZ2 3.97Å; P163-W166 HydrophobicContact CG-CZ3 4.26Å; P163-W166 WeakPolarHBondContact O-CA 3.18Å; P163-W166 WeakPolarHBondContact O-CB 3.49Å; P163-W166 PolarHBondContact O-N 3.46Å; P163-I167 PolarHBondContact O-N 3.1Å | ||
| 164 | P | 65.7 | Low | 67.5 | Low | 84 Ų | 84 | 74.3 Ų | 74.3 | 55% | 0.545 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -54.3 | -36.8 | -175.9 | -29.1 | 34.9 | 0 | 0 | 0 | 113.1 | W166 I167 R168 L171 | P164-W166 VanDerWaalsContact C-N 3.29Å; P164-W166 PolarHBondContact O-N 3.3Å; P164-I167 WeakPolarHBondContact O-CB 3.23Å; P164-I167 PolarHBondContact O-N 2.89Å; P164-I167 VanDerWaalsContact O-N 3.07Å; P164-R168 PolarHBondContact O-N 2.8Å; P164-L171 HydrophobicContact CB-CD1 3.92Å |
| 165 | H | 65.1 | Low | 65.7 | Low | 32 Ų | 32 | 76.1 Ų | 76.1 | 15% | 0.148 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68 | -24.1 | 177.8 | 65.5 | -100.7 | 0 | 0 | 0 | 113.7 | P163 R168 P169 M172 | P163-H165 WeakPolarHBondContact CB-CE1 3.33Å; P163-H165 PolarHBondContact O-N 2.82Å; P163-H165 VanDerWaalsContact O-N 3.11Å; H165-R168 CarbonylContact O-C 3.47Å; H165-P169 WeakPolarHBondContact O-CA 3.09Å; H165-M172 HydrophobicContact CB-CE 3.61Å; H165-M172 HydrophobicContact CB-CG 3.69Å; H165-M172 WeakPolarHBondContact CD2-CE 3.41Å |
| 166 | W | 67 | Low | 64.1 | Low | 46 Ų | 46 | 77.8 Ų | 77.8 | 17% | 0.174 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -71.8 | -37.6 | 169.7 | -67.8 | -0.1 | 0 | 0 | 0 | 110.9 | W37 P38 L120 L162 P163 P164 F240 | W37-W166 AromaticContact CD1-CZ3 3.94Å; W37-W166 AromaticContact CE2-CZ3 3.88Å; W37-W166 HydrophobicContact CZ2-CE3 4.28Å; W37-W166 HydrophobicContact CZ2-CZ3 4.28Å; W37-W166 AromaticContact NE1-CZ3 3.42Å; P38-W166 HydrophobicContact CG-CH2 4.18Å; P38-W166 HydrophobicContact CG-CZ2 3.94Å; L120-W166 WeakPolarHBondContact CB-O 3.23Å; L120-W166 HydrophobicContact CD2-CB 4.2Å; L120-W166 VanDerWaalsContact CD2-O 3.29Å; L120-W166 WeakPolarHBondContact CD2-O 3.32Å; L162-W166 HydrophobicContact CD2-CE3 4.18Å; L162-W166 HydrophobicContact CD2-CZ3 4.47Å; P163-W166 HydrophobicContact CB-CB 4.49Å; P163-W166 HydrophobicContact CB-CD2 4.1Å; P163-W166 HydrophobicContact CB-CG 3.98Å; P163-W166 VanDerWaalsContact CD-CE3 3.46Å; P163-W166 HydrophobicContact CG-CD2 3.69Å; P163-W166 HydrophobicContact CG-CE3 4.01Å; P163-W166 HydrophobicContact CG-CG 4.13Å; P163-W166 HydrophobicContact CG-CH2 4.25Å; P163-W166 HydrophobicContact CG-CZ2 3.97Å; P163-W166 HydrophobicContact CG-CZ3 4.26Å; P163-W166 WeakPolarHBondContact O-CA 3.18Å; P163-W166 WeakPolarHBondContact O-CB 3.49Å; P163-W166 PolarHBondContact O-N 3.46Å; P164-W166 VanDerWaalsContact C-N 3.29Å; P164-W166 PolarHBondContact O-N 3.3Å; W166-F240 HydrophobicContact CD2-CD1 4.31Å; W166-F240 HydrophobicContact CD2-CE1 4.29Å; W166-F240 AromaticContact CE2-CD1 3.54Å; W166-F240 AromaticContact CE2-CE1 3.96Å; W166-F240 HydrophobicContact CH2-CD1 4.31Å; W166-F240 HydrophobicContact CH2-CE1 4.46Å; W166-F240 AromaticContact CZ2-CD1 3.57Å; W166-F240 HydrophobicContact CZ2-CD1 3.57Å; W166-F240 HydrophobicContact CZ2-CE1 4.08Å; W166-F240 AromaticContact NE1-CD1 3.62Å |
| 167 | I | 71.2 | Confident | 62.6 | Low | 14 Ų | 14 | 80.6 Ų | 80.6 | 7% | 0.072 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -70.3 | -46.4 | -179.1 | -56 | 178.6 | 0 | 0 | 0 | 109.7 | H119 L120 E159 L162 P163 P164 | H119-I167 CarbonylContact C-O 3.04Å; H119-I167 WeakPolarHBondContact CA-O 3.32Å; H119-I167 WeakPolarHBondContact CE1-CG2 3.37Å; H119-I167 WeakPolarHBondContact NE2-CG2 3.32Å; L120-I167 PolarHBondContact N-O 3.44Å; E159-I167 HydrophobicContact CB-CD1 3.74Å; E159-I167 HydrophobicContact CG-CD1 4.1Å; E159-I167 WeakPolarHBondContact O-CD1 3.24Å; L162-I167 HydrophobicContact CB-CD1 3.97Å; L162-I167 HydrophobicContact CB-CG1 3.88Å; L162-I167 HydrophobicContact CD1-CG1 4.42Å; P163-I167 PolarHBondContact O-N 3.1Å; P164-I167 WeakPolarHBondContact O-CB 3.23Å; P164-I167 PolarHBondContact O-N 2.89Å; P164-I167 VanDerWaalsContact O-N 3.07Å |
| 168 | R | 75.2 | Confident | 61 | Low | 125 Ų | 125 | 78.5 Ų | 78.5 | 47% | 0.472 | 40% | 0.395 | S | S | . | . | trans | -134.9 | 100.8 | -179.2 | -66.4 | -177 | -174.6 | -166.6 | -5.2 | 110 | H119 P164 H165 S170 L171 | H119-R168 PolarHBondContact CD2-NE 2.86Å; H119-R168 PolarHBondContact NE2-NE 3.11Å; P164-R168 PolarHBondContact O-N 2.8Å; H165-R168 CarbonylContact O-C 3.47Å; R168-S170 PolarHBondContact O-N 3.25Å; R168-S170 VanDerWaalsContact O-N 3.16Å; R168-L171 HydrophobicContact CB-CD1 3.99Å; R168-L171 HydrophobicContact CB-CG 3.97Å; R168-L171 WeakPolarHBondContact O-CB 3.37Å; R168-L171 PolarHBondContact O-N 3.28Å; R168-L171 VanDerWaalsContact O-N 3.12Å | ||
| 169 | P | 66.7 | Low | 59.7 | Low | 21 Ų | 21 | 84.6 Ų | 84.6 | 14% | 0.136 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -58.7 | -25.4 | 177.6 | -26.8 | 35.7 | 0 | 0 | 0 | 113.9 | Y118 H165 L171 M172 | Y118-P169 HydrophobicContact CD1-CG 4.07Å; H165-P169 WeakPolarHBondContact O-CA 3.09Å; P169-L171 PolarHBondContact O-N 3.29Å; P169-M172 PolarHBondContact O-N 3.36Å; P169-M172 VanDerWaalsContact O-N 3.12Å |
| 170 | S | 64 | Low | 58.7 | Low | 17 Ų | 17 | 87.5 Ų | 87.5 | 12% | 0.119 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -55.8 | -30.5 | 175.5 | 46.7 | 0 | 0 | 0 | 0 | 113.2 | R168 M172 Y173 | R168-S170 PolarHBondContact O-N 3.25Å; R168-S170 VanDerWaalsContact O-N 3.16Å; S170-M172 PolarHBondContact O-N 3.07Å; S170-Y173 PolarHBondContact O-N 2.92Å |
| 171 | L | 59.9 | Low | 57.4 | Low | 68 Ų | 68 | 85.2 Ų | 85.2 | 36% | 0.356 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -68.5 | -13.8 | 180 | -62.6 | 177.3 | 0 | 0 | 0 | 114.2 | P164 R168 P169 Y173 | P164-L171 HydrophobicContact CB-CD1 3.92Å; R168-L171 HydrophobicContact CB-CD1 3.99Å; R168-L171 HydrophobicContact CB-CG 3.97Å; R168-L171 WeakPolarHBondContact O-CB 3.37Å; R168-L171 PolarHBondContact O-N 3.28Å; R168-L171 VanDerWaalsContact O-N 3.12Å; P169-L171 PolarHBondContact O-N 3.29Å; L171-Y173 VanDerWaalsContact C-N 3.32Å |
| 172 | M | 56.9 | Low | 55.9 | Low | 58 Ų | 58 | 83.6 Ų | 83.6 | 29% | 0.286 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -69.7 | -33.8 | 175.3 | -70.9 | -165.4 | -177.6 | 0 | 0 | 112.2 | H165 P169 S170 Q239 V241 | H165-M172 HydrophobicContact CB-CE 3.61Å; H165-M172 HydrophobicContact CB-CG 3.69Å; H165-M172 WeakPolarHBondContact CD2-CE 3.41Å; P169-M172 PolarHBondContact O-N 3.36Å; P169-M172 VanDerWaalsContact O-N 3.12Å; S170-M172 PolarHBondContact O-N 3.07Å; M172-Q239 WeakPolarHBondContact CE-O 3.42Å; M172-V241 HydrophobicContact CE-CB 4.27Å; M172-V241 HydrophobicContact CE-CG2 3.34Å; M172-V241 HydrophobicContact SD-CG2 3.73Å |
| 173 | Y | 51.9 | Low | 54.7 | Low | 100 Ų | 100 | 89.4 Ų | 89.4 | 39% | 0.392 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -86.7 | -20.2 | -172.6 | -63.6 | -89 | 0 | 0 | 0 | 112.7 | P63 S170 L171 C175 E176 F177 | P63-Y173 HydrophobicContact CB-CD2 3.95Å; P63-Y173 HydrophobicContact CB-CG 3.99Å; P63-Y173 VanDerWaalsContact CD-CD2 3.43Å; P63-Y173 HydrophobicContact CG-CD1 4.05Å; P63-Y173 HydrophobicContact CG-CD2 3.57Å; P63-Y173 HydrophobicContact CG-CE2 4.18Å; P63-Y173 HydrophobicContact CG-CG 3.48Å; P63-Y173 VanDerWaalsContact CG-CG 3.48Å; S170-Y173 PolarHBondContact O-N 2.92Å; L171-Y173 VanDerWaalsContact C-N 3.32Å; Y173-C175 PolarHBondContact O-N 2.95Å; Y173-E176 PolarHBondContact O-N 2.88Å; Y173-F177 PolarHBondContact O-N 2.84Å |
| 174 | D | 50.5 | Low | 53.4 | Low | 97 Ų | 97 | 95.3 Ų | 95.3 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -61.6 | -25.3 | 172.7 | -65.5 | -22.8 | 0 | 0 | 0 | 111.3 | ||
| 175 | C | 42.5 | Very low | 52.3 | Low | 97 Ų | 97 | 100.4 Ų | 100.4 | 66% | 0.655 | 51% | 0.505 | S | S | * | . | G | 310 helix | trans | -85.2 | -22.6 | 178.4 | -60.7 | 0 | 0 | 0 | 0 | 114.1 | Y173 | Y173-C175 PolarHBondContact O-N 2.95Š|
| 176 | E | 46.9 | Very low | 51 | Low | 129 Ų | 129 | 107.8 Ų | 107.8 | 60% | 0.603 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | -21.2 | -171.7 | -162.1 | 165.1 | -162.9 | 0 | 0 | 112.6 | Y173 | Y173-E176 PolarHBondContact O-N 2.88Š|
| 177 | F | 41.7 | Very low | 49.5 | Very low | 159 Ų | 159 | 114.8 Ų | 114.8 | 70% | 0.697 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -82.8 | -23.7 | 178.8 | -148.7 | -98.6 | 0 | 0 | 0 | 113.8 | Y173 S181 | Y173-F177 PolarHBondContact O-N 2.84Å; F177-S181 PolarHBondContact O-OG 2.65Å |
| 178 | D | 40.6 | Very low | 47.8 | Very low | 120 Ų | 120 | 123.7 Ų | 123.7 | 64% | 0.642 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -76.6 | -21.1 | 176.7 | -83.7 | -8.7 | 0 | 0 | 0 | 112.8 | ||
| 179 | E | 44.2 | Very low | 45.7 | Very low | 172 Ų | 172 | 129 Ų | 129 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -89.6 | -11.8 | 177.2 | -85.3 | -170.9 | 163.8 | 0 | 0 | 114.4 | ||
| 180 | L | 46.5 | Very low | 44 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 75% | 0.749 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -110.8 | 2.3 | -178.1 | -72.7 | 169.9 | 0 | 0 | 0 | 114.7 | ||
| 181 | S | 40.6 | Very low | 42.7 | Very low | 69 Ų | 69 | 142.3 Ų | 142.3 | 48% | 0.483 | 70% | 0.7 | S | S | . | * | S | Bend | trans | -106.1 | 11.9 | -174.6 | 51.9 | 0 | 0 | 0 | 0 | 115.4 | F177 | F177-S181 PolarHBondContact O-OG 2.65Š|
| 182 | N | 39.3 | Very low | 41.5 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 72% | 0.722 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -115 | 8.4 | -173.7 | -79 | -51.8 | 0 | 0 | 0 | 117.2 | ||
| 183 | D | 42.1 | Very low | 40.5 | Very low | 152 Ų | 152 | 152.2 Ų | 152.2 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -119.7 | 4.3 | -172.2 | -78 | -18.1 | 0 | 0 | 0 | 117.5 | ||
| 184 | D | 42 | Very low | 39.9 | Very low | 164 Ų | 164 | 155 Ų | 155 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | trans | -112.2 | 24.3 | -173.5 | -74 | -27.4 | 0 | 0 | 0 | 116.4 | ||||
| 185 | E | 42.4 | Very low | 39.1 | Very low | 190 Ų | 190 | 156.4 Ų | 156.4 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -109.3 | 57.7 | 175.2 | -70.3 | -162.1 | 179.6 | 0 | 0 | 114 | ||||
| 186 | E | 38.8 | Very low | 38.7 | Very low | 187 Ų | 187 | 158.8 Ų | 158.8 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -171.8 | 99.9 | 159.3 | -112.4 | 169.6 | -164.3 | 0 | 0 | 111.3 | ||
| 187 | E | 36 | Very low | 37.9 | Very low | 194 Ų | 194 | 159 Ų | 159 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | 144.4 | 77.3 | 151.9 | -81.8 | -174 | 166.1 | 0 | 0 | 112.7 | ||||
| 188 | E | 34.3 | Very low | 37.8 | Very low | 201 Ų | 201 | 157 Ų | 157 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | trans | -158.1 | 92.4 | 143 | -120.8 | 178.4 | -174.8 | 0 | 0 | 111.1 | ||||
| 189 | R | 31.2 | Very low | 37.5 | Very low | 235 Ų | 235 | 158.7 Ų | 158.7 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -130.2 | 129 | 158.4 | -87.7 | -169.8 | -79.4 | -130.2 | -4.8 | 108.5 | ||||
| 190 | T | 32 | Very low | 37 | Very low | 125 Ų | 125 | 157.9 Ų | 157.9 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | trans | 111.8 | 128.3 | 155.7 | 70.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 191 | K | 36.4 | Very low | 36.2 | Very low | 193 Ų | 193 | 159.6 Ų | 159.6 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | 98.4 | 85.2 | 162.2 | -55.5 | 167.4 | -172.3 | 175.1 | 0 | 113.7 | ||||
| 192 | E | 34.4 | Very low | 35.9 | Very low | 181 Ų | 181 | 164.3 Ų | 164.3 | 85% | 0.846 | 80% | 0.803 | S | S | * | * | 47 | 112.1 | 74.9 | -71.4 | -173.8 | 168.3 | 0 | 0 | 114.9 | |||||
| 193 | D | 35.7 | Very low | 35.5 | Very low | 153 Ų | 153 | 164.6 Ų | 164.6 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 121 | 136.8 | 141 | -71.3 | -25.7 | 0 | 0 | 0 | 119.5 | ||||
| 194 | I | 39 | Very low | 35.1 | Very low | 160 Ų | 160 | 165 Ų | 165 | 82% | 0.821 | 81% | 0.805 | S | S | * | * | trans | 102.1 | 78.1 | 157.2 | -40.3 | -174.9 | 0 | 0 | 0 | 118.4 | ||||
| 195 | N | 33.6 | Very low | 34.4 | Very low | 125 Ų | 125 | 165.1 Ų | 165.1 | 67% | 0.668 | 81% | 0.805 | S | S | * | * | 12.6 | 130.2 | 128.2 | -101.5 | -14.8 | 0 | 0 | 0 | 122.7 | |||||
| 196 | Q | 35.9 | Very low | 33.8 | Very low | 148 Ų | 148 | 159.7 Ų | 159.7 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | 75.2 | 120.8 | 123.1 | -74 | 172.7 | 16.4 | 0 | 0 | 123.3 | |||||
| 197 | N | 30.2 | Very low | 33.1 | Very low | 134 Ų | 134 | 158.3 Ų | 158.3 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | 100.4 | 133 | 126.2 | -79.9 | 9.3 | 0 | 0 | 0 | 122.8 | |||||
| 198 | D | 38.5 | Very low | 32.9 | Very low | 117 Ų | 117 | 155.9 Ų | 155.9 | 63% | 0.626 | 80% | 0.798 | S | S | * | * | trans | 92.1 | 106.3 | 143.7 | -72.2 | -37.1 | 0 | 0 | 0 | 122.2 | ||||
| 199 | Q | 34.6 | Very low | 32.6 | Very low | 154 Ų | 154 | 152.8 Ų | 152.8 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | 44.5 | 116 | 121.5 | -58.1 | 176 | 45.5 | 0 | 0 | 119.2 | |||||
| 200 | N | 33.3 | Very low | 32.6 | Very low | 156 Ų | 156 | 149.4 Ų | 149.4 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | 173 | 147.1 | 113.4 | -87.9 | -40.9 | 0 | 0 | 0 | 114 | |||||
| 201 | E | 30.7 | Very low | 32.4 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | trans | -56.4 | 147.3 | 176.9 | -55 | 169 | 137.8 | 0 | 0 | 114.5 | ||||
| 202 | H | 33.9 | Very low | 32.1 | Very low | 168 Ų | 168 | 148.9 Ų | 148.9 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | -172.2 | 142.8 | 123.4 | -137 | -91.7 | 0 | 0 | 0 | 113.9 | |||||
| 203 | L | 30.9 | Very low | 32 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 74% | 0.743 | 79% | 0.789 | S | S | * | * | trans | -56.2 | 156 | 178 | -60.1 | 126 | 0 | 0 | 0 | 115.4 | ||||
| 204 | I | 34 | Very low | 32 | Very low | 161 Ų | 161 | 144.3 Ų | 144.3 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | 171.6 | 136.6 | 115.4 | -82.8 | 155.1 | 0 | 0 | 0 | 112.8 | |||||
| 205 | N | 26.4 | Very low | 31.8 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 88% | 0.882 | 75% | 0.754 | S | S | * | * | trans | -37.7 | 148.9 | 175.2 | -67.9 | -24.7 | 0 | 0 | 0 | 119.5 | ||||
| 206 | G | 29.8 | Very low | 31.8 | Very low | 77 Ų | 77 | 137.1 Ų | 137.1 | 79% | 0.794 | 73% | 0.73 | S | S | * | * | trans | -155.6 | 106.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 207 | N | 24.4 | Very low | 32 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 85% | 0.845 | 71% | 0.71 | S | S | * | * | trans | -57.9 | 134.6 | 172.4 | -107.6 | -6.5 | 0 | 0 | 0 | 112.5 | ||||
| 208 | T | 31.4 | Very low | 32.3 | Very low | 143 Ų | 143 | 128 Ų | 128 | 88% | 0.877 | 69% | 0.69 | S | S | * | * | trans | -155.7 | 119.2 | 138.5 | 10 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 209 | N | 27.5 | Very low | 32.3 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | trans | -64.4 | 134.4 | 167.4 | -74.5 | -40.5 | 0 | 0 | 0 | 109.7 | ||||
| 210 | D | 31.1 | Very low | 32.4 | Very low | 164 Ų | 164 | 125.1 Ų | 125.1 | 88% | 0.877 | 67% | 0.669 | S | S | * | * | trans | -153 | 113.4 | 140.3 | -91.7 | -32.8 | 0 | 0 | 0 | 109.1 | ||||
| 211 | N | 28.7 | Very low | 32.4 | Very low | 147 Ų | 147 | 124.4 Ų | 124.4 | 79% | 0.786 | 67% | 0.665 | S | S | * | * | trans | -80.9 | 118.4 | 174.7 | -76.3 | -42 | 0 | 0 | 0 | 108.5 | ||||
| 212 | N | 30.8 | Very low | 32.9 | Very low | 159 Ų | 159 | 124.6 Ų | 124.6 | 85% | 0.85 | 67% | 0.666 | S | S | * | * | trans | 172.3 | 72.7 | 146.2 | -86.7 | -15.8 | 0 | 0 | 0 | 110.1 | ||||
| 213 | N | 31.6 | Very low | 33.2 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 86% | 0.856 | 67% | 0.669 | S | S | * | * | trans | -101 | 87.5 | 174.5 | -79.3 | -8.8 | 0 | 0 | 0 | 110.6 | Q215 | N213-Q215 PolarHBondContact O-N 3.27Å; N213-Q215 VanDerWaalsContact O-N 3.12Å | ||
| 214 | N | 36.7 | Very low | 33.6 | Very low | 78 Ų | 78 | 126.3 Ų | 126.3 | 42% | 0.417 | 68% | 0.675 | S | S | . | * | trans | -71.7 | 96 | 159.3 | -85.7 | -9.3 | 0 | 0 | 0 | 108 | D76 I216 | D76-N214 PolarHBondContact OD2-ND2 2.98Å; N214-I216 PolarHBondContact O-N 3.07Å | ||
| 215 | Q | 34 | Very low | 33.4 | Very low | 104 Ų | 104 | 126 Ų | 126 | 49% | 0.486 | 68% | 0.675 | S | S | . | * | trans | -80.8 | 109.3 | -178.9 | -168.4 | 174.2 | 31.6 | 0 | 0 | 110.2 | N213 V217 | N213-Q215 PolarHBondContact O-N 3.27Å; N213-Q215 VanDerWaalsContact O-N 3.12Å; Q215-V217 HydrophobicContact CG-CG2 4.21Å; Q215-V217 PolarHBondContact O-N 3.21Å | ||
| 216 | I | 34.2 | Very low | 33.4 | Very low | 31 Ų | 31 | 125.2 Ų | 125.2 | 16% | 0.159 | 67% | 0.671 | C | S | . | * | trans | -70.5 | 113.4 | 166.7 | -57.9 | -179.1 | 0 | 0 | 0 | 107.4 | F70 N214 F232 | F70-I216 HydrophobicContact CB-CG2 4.49Å; N214-I216 PolarHBondContact O-N 3.07Å; I216-F232 HydrophobicContact CD1-CB 3.99Å; I216-F232 WeakPolarHBondContact CD1-O 3.38Å | ||
| 217 | V | 40.2 | Very low | 33.3 | Very low | 45 Ų | 45 | 126.5 Ų | 126.5 | 27% | 0.273 | 67% | 0.667 | S | S | . | * | trans | -99.7 | 101.6 | 176 | -178 | 0 | 0 | 0 | 0 | 108.3 | Q215 Y219 | Q215-V217 HydrophobicContact CG-CG2 4.21Å; Q215-V217 PolarHBondContact O-N 3.21Å; V217-Y219 HydrophobicContact CB-CE2 4.48Å; V217-Y219 HydrophobicContact CG1-CD1 4.4Å; V217-Y219 HydrophobicContact CG1-CE1 3.87Å; V217-Y219 HydrophobicContact CG1-CE2 3.98Å | ||
| 218 | C | 35.6 | Very low | 33.5 | Very low | 46 Ų | 46 | 125.6 Ų | 125.6 | 31% | 0.311 | 66% | 0.661 | S | S | . | * | trans | -81.6 | 127.7 | 167.9 | -62.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 219 | Y | 39.2 | Very low | 33.4 | Very low | 56 Ų | 56 | 123.6 Ų | 123.6 | 22% | 0.22 | 65% | 0.649 | C | S | . | * | trans | -94.2 | 120.8 | 172 | -59.9 | -84.4 | 0 | 0 | 0 | 108.8 | V217 | V217-Y219 HydrophobicContact CB-CE2 4.48Å; V217-Y219 HydrophobicContact CG1-CD1 4.4Å; V217-Y219 HydrophobicContact CG1-CE1 3.87Å; V217-Y219 HydrophobicContact CG1-CE2 3.98Å | ||
| 220 | K | 37 | Very low | 33.7 | Very low | 154 Ų | 154 | 124.1 Ų | 124.1 | 67% | 0.67 | 64% | 0.644 | S | S | * | * | trans | -129.4 | 124.3 | 160.1 | -92.3 | -170.2 | 169.7 | -170.1 | 0 | 107.2 | ||||
| 221 | N | 33.2 | Very low | 33.6 | Very low | 141 Ų | 141 | 120 Ų | 120 | 75% | 0.754 | 63% | 0.628 | S | S | * | * | trans | -99.6 | 107.1 | 169.3 | -76.1 | -32 | 0 | 0 | 0 | 107.8 | ||||
| 222 | E | 41.4 | Very low | 33.8 | Very low | 182 Ų | 182 | 116.7 Ų | 116.7 | 85% | 0.85 | 61% | 0.607 | S | S | * | * | trans | -128.1 | 133.7 | 145.6 | -69.4 | -179.6 | -174.2 | 0 | 0 | 104.5 | ||||
| 223 | D | 39.4 | Very low | 33.8 | Very low | 160 Ų | 160 | 115.4 Ų | 115.4 | 86% | 0.856 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -54.1 | 153.7 | -163.6 | -61.3 | -66.8 | 0 | 0 | 0 | 115.1 | ||
| 224 | E | 39.2 | Very low | 33.9 | Very low | 185 Ų | 185 | 113.9 Ų | 113.9 | 86% | 0.864 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 82.1 | 109.2 | 172.1 | -56.9 | -169.1 | 164 | 0 | 0 | 118 | ||
| 225 | D | 29.2 | Very low | 33.8 | Very low | 154 Ų | 154 | 115.3 Ų | 115.3 | 82% | 0.824 | 60% | 0.595 | S | S | * | * | trans | 41.2 | 127.7 | 141.6 | -73.5 | -26.4 | 0 | 0 | 0 | 120.9 | ||||
| 226 | L | 28 | Very low | 33.8 | Very low | 150 Ų | 150 | 113.2 Ų | 113.2 | 79% | 0.785 | 59% | 0.591 | S | S | * | * | trans | 86.3 | 104.3 | 166.5 | -78.5 | 78.4 | 0 | 0 | 0 | 118.4 | ||||
| 227 | S | 26 | Very low | 34 | Very low | 103 Ų | 103 | 118.2 Ų | 118.2 | 72% | 0.72 | 61% | 0.609 | S | S | * | * | trans | 49.2 | 87.5 | 134.1 | 64.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 228 | I | 29 | Very low | 33.9 | Very low | 140 Ų | 140 | 118.4 Ų | 118.4 | 72% | 0.718 | 61% | 0.606 | S | S | * | * | trans | -136.3 | 76.9 | 149.2 | -53.9 | -179.7 | 0 | 0 | 0 | 109.4 | K230 | I228-K230 HydrophobicContact CG2-CB 4.25Å; I228-K230 HydrophobicContact CG2-CD 4.36Å; I228-K230 HydrophobicContact CG2-CG 3.76Å; I228-K230 PolarHBondContact O-N 3.17Å; I228-K230 VanDerWaalsContact O-N 3.11Å | ||
| 229 | T | 28.7 | Very low | 33.6 | Very low | 101 Ų | 101 | 121 Ų | 121 | 62% | 0.62 | 61% | 0.613 | S | S | * | * | trans | -68.7 | 88.8 | 147.3 | 43.6 | 0 | 0 | 0 | 0 | 107.1 | S231 | T229-S231 VanDerWaalsContact C-N 3.25Å; T229-S231 PolarHBondContact O-N 3.48Å; T229-S231 VanDerWaalsContact O-N 3.15Å | ||
| 230 | K | 34 | Very low | 33.2 | Very low | 147 Ų | 147 | 119.3 Ų | 119.3 | 64% | 0.639 | 61% | 0.607 | S | S | * | * | trans | -77.6 | 91 | 155.1 | -91.3 | -175.5 | 178.1 | -173.5 | 0 | 106.2 | I228 F232 | I228-K230 HydrophobicContact CG2-CB 4.25Å; I228-K230 HydrophobicContact CG2-CD 4.36Å; I228-K230 HydrophobicContact CG2-CG 3.76Å; I228-K230 PolarHBondContact O-N 3.17Å; I228-K230 VanDerWaalsContact O-N 3.11Å; K230-F232 PolarHBondContact O-N 2.88Å | ||
| 231 | S | 30.2 | Very low | 32.8 | Very low | 77 Ų | 77 | 114.9 Ų | 114.9 | 54% | 0.538 | 59% | 0.593 | S | S | . | * | trans | -61 | 103.2 | 162.3 | 51.7 | 0 | 0 | 0 | 0 | 107.1 | T229 T233 | T229-S231 VanDerWaalsContact C-N 3.25Å; T229-S231 PolarHBondContact O-N 3.48Å; T229-S231 VanDerWaalsContact O-N 3.15Å; S231-T233 PolarHBondContact O-N 2.9Å | ||
| 232 | F | 31.9 | Very low | 32.4 | Very low | 78 Ų | 78 | 114.9 Ų | 114.9 | 34% | 0.342 | 59% | 0.588 | S | S | . | * | trans | -71.4 | 109.4 | 155.3 | -92.7 | -92.3 | 0 | 0 | 0 | 106.1 | F64 I216 K230 E234 | F64-F232 HydrophobicContact CD2-CZ 4.17Å; F64-F232 AromaticContact CE2-CE1 4Å; F64-F232 HydrophobicContact CE2-CE1 4Å; F64-F232 AromaticContact CE2-CZ 3.64Å; F64-F232 HydrophobicContact CE2-CZ 3.64Å; F64-F232 HydrophobicContact CZ-CZ 4.27Å; I216-F232 HydrophobicContact CD1-CB 3.99Å; I216-F232 WeakPolarHBondContact CD1-O 3.38Å; K230-F232 PolarHBondContact O-N 2.88Å; F232-E234 PolarHBondContact O-N 3.2Å | ||
| 233 | T | 30.5 | Very low | 31.7 | Very low | 131 Ų | 131 | 110.9 Ų | 110.9 | 80% | 0.804 | 58% | 0.58 | S | S | * | * | trans | -72 | -8.4 | 166.9 | 42.9 | 0 | 0 | 0 | 0 | 111.6 | S231 | S231-T233 PolarHBondContact O-N 2.9Š| ||
| 234 | E | 33.6 | Very low | 31.1 | Very low | 128 Ų | 128 | 108.1 Ų | 108.1 | 60% | 0.598 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -93.6 | 110.6 | 176 | -71.8 | 174.1 | -179.7 | 0 | 0 | 109.5 | F232 | F232-E234 PolarHBondContact O-N 3.2Š|
| 235 | K | 34.6 | Very low | 30.5 | Very low | 109 Ų | 109 | 102.4 Ų | 102.4 | 47% | 0.474 | 55% | 0.55 | S | S | . | . | trans | -49.7 | 147.6 | 168.5 | -67.9 | 165.1 | 167.7 | -173.3 | 0 | 108.6 | D78 S79 Y237 | D78-K235 PolarHBondContact O-NZ 2.8Å; S79-K235 VanDerWaalsContact O-CD 3.28Å; S79-K235 WeakPolarHBondContact O-CD 3.45Å; S79-K235 WeakPolarHBondContact O-CE 3.48Å; S79-K235 PolarHBondContact O-NZ 2.59Å; K235-Y237 PolarHBondContact O-N 3.11Å | ||
| 236 | P | 35.6 | Very low | 30.6 | Very low | 59 Ų | 59 | 100 Ų | 100 | 38% | 0.383 | 54% | 0.541 | S | S | . | . | trans | -65.1 | 83.8 | 159.5 | 29.3 | -30.8 | 0 | 0 | 0 | 106.9 | F70 F238 | F70-P236 HydrophobicContact CD1-CG 4.21Å; F70-P236 HydrophobicContact CE1-CG 4.17Å; F70-P236 HydrophobicContact CZ-CG 4.48Å; P236-F238 PolarHBondContact O-N 3.36Å | ||
| 237 | Y | 37.8 | Very low | 30.6 | Very low | 137 Ų | 137 | 98.7 Ų | 98.7 | 54% | 0.537 | 53% | 0.534 | S | S | . | . | trans | -72.5 | 111.4 | 176.6 | -159.4 | -64.8 | 0 | 0 | 0 | 104.6 | K235 Q239 | K235-Y237 PolarHBondContact O-N 3.11Å; Y237-Q239 HydrophobicContact CD1-CB 3.24Å; Y237-Q239 HydrophobicContact CD1-CG 3.6Å; Y237-Q239 VanDerWaalsContact CD1-N 3.33Å; Y237-Q239 VanDerWaalsContact CE1-CA 3.49Å; Y237-Q239 HydrophobicContact CE1-CB 3.58Å; Y237-Q239 HydrophobicContact CE1-CG 3.41Å; Y237-Q239 VanDerWaalsContact CE1-CG 3.41Å; Y237-Q239 HydrophobicContact CG-CB 4.22Å; Y237-Q239 PolarHBondContact O-N 2.91Å | ||
| 238 | F | 37.8 | Very low | 30.9 | Very low | 49 Ų | 49 | 101.1 Ų | 101.1 | 22% | 0.215 | 54% | 0.54 | C | S | . | . | trans | -67.7 | 82.5 | 159.3 | -89 | -83.1 | 0 | 0 | 0 | 106 | Y118 P236 F240 | Y118-F238 HydrophobicContact CE1-CZ 4.36Å; Y118-F238 AromaticContact CZ-CZ 3.98Å; Y118-F238 WeakPolarHBondContact OH-CZ 3.4Å; P236-F238 PolarHBondContact O-N 3.36Å; F238-F240 PolarHBondContact O-N 3.21Å | ||
| 239 | Q | 30.4 | Very low | 30.8 | Very low | 100 Ų | 100 | 98.3 Ų | 98.3 | 47% | 0.467 | 55% | 0.545 | S | S | . | . | trans | -85.3 | 107.5 | -177.2 | -157.1 | 148.1 | -25.5 | 0 | 0 | 104.8 | M172 Y237 V241 | M172-Q239 WeakPolarHBondContact CE-O 3.42Å; Y237-Q239 HydrophobicContact CD1-CB 3.24Å; Y237-Q239 HydrophobicContact CD1-CG 3.6Å; Y237-Q239 VanDerWaalsContact CD1-N 3.33Å; Y237-Q239 VanDerWaalsContact CE1-CA 3.49Å; Y237-Q239 HydrophobicContact CE1-CB 3.58Å; Y237-Q239 HydrophobicContact CE1-CG 3.41Å; Y237-Q239 VanDerWaalsContact CE1-CG 3.41Å; Y237-Q239 HydrophobicContact CG-CB 4.22Å; Y237-Q239 PolarHBondContact O-N 2.91Å; Q239-V241 HydrophobicContact CB-CG2 3.95Å; Q239-V241 HydrophobicContact CG-CG2 4.02Å; Q239-V241 PolarHBondContact O-N 3.07Å | ||
| 240 | F | 29 | Very low | 30.9 | Very low | 21 Ų | 21 | 102.3 Ų | 102.3 | 9% | 0.092 | 56% | 0.556 | C | S | . | * | trans | -68.1 | 81.6 | 162.2 | -71.6 | -79 | 0 | 0 | 0 | 106.9 | H36 W37 P38 E83 W166 F238 H242 | H36-F240 WeakPolarHBondContact O-CE2 3.26Å; H36-F240 WeakPolarHBondContact O-CZ 3.37Å; W37-F240 HydrophobicContact CD2-CE1 4.2Å; W37-F240 HydrophobicContact CD2-CZ 4.35Å; W37-F240 AromaticContact CE3-CE1 3.9Å; W37-F240 HydrophobicContact CE3-CE1 3.9Å; W37-F240 AromaticContact CE3-CZ 3.62Å; W37-F240 HydrophobicContact CE3-CZ 3.62Å; W37-F240 HydrophobicContact CH2-CZ 4.48Å; W37-F240 HydrophobicContact CZ3-CE1 4.08Å; W37-F240 AromaticContact CZ3-CZ 3.7Å; W37-F240 HydrophobicContact CZ3-CZ 3.7Å; P38-F240 HydrophobicContact CB-CB 4.37Å; P38-F240 VanDerWaalsContact CD-CD1 3.46Å; P38-F240 HydrophobicContact CG-CB 4.08Å; P38-F240 HydrophobicContact CG-CD1 4.05Å; P38-F240 HydrophobicContact CG-CG 4.23Å; E83-F240 HydrophobicContact CB-CD2 4.35Å; E83-F240 HydrophobicContact CB-CE2 4.42Å; E83-F240 WeakPolarHBondContact OE2-CD2 3.4Å; W166-F240 HydrophobicContact CD2-CD1 4.31Å; W166-F240 HydrophobicContact CD2-CE1 4.29Å; W166-F240 AromaticContact CE2-CD1 3.54Å; W166-F240 AromaticContact CE2-CE1 3.96Å; W166-F240 HydrophobicContact CH2-CD1 4.31Å; W166-F240 HydrophobicContact CH2-CE1 4.46Å; W166-F240 AromaticContact CZ2-CD1 3.57Å; W166-F240 HydrophobicContact CZ2-CD1 3.57Å; W166-F240 HydrophobicContact CZ2-CE1 4.08Å; W166-F240 AromaticContact NE1-CD1 3.62Å; F238-F240 PolarHBondContact O-N 3.21Å; F240-H242 PolarHBondContact O-N 2.74Å | ||
| 241 | V | 28.5 | Very low | 30.8 | Very low | 61 Ų | 61 | 101.4 Ų | 101.4 | 37% | 0.37 | 56% | 0.562 | S | S | . | * | trans | -67.2 | 109 | 179.8 | -167.3 | 0 | 0 | 0 | 0 | 107.3 | M172 Q239 S243 | M172-V241 HydrophobicContact CE-CB 4.27Å; M172-V241 HydrophobicContact CE-CG2 3.34Å; M172-V241 HydrophobicContact SD-CG2 3.73Å; Q239-V241 HydrophobicContact CB-CG2 3.95Å; Q239-V241 HydrophobicContact CG-CG2 4.02Å; Q239-V241 PolarHBondContact O-N 3.07Å; V241-S243 PolarHBondContact O-N 3.16Å | ||
| 242 | H | 26 | Very low | 30.8 | Very low | 140 Ų | 140 | 103.1 Ų | 103.1 | 65% | 0.648 | 57% | 0.572 | S | S | * | * | trans | -67.1 | 110.5 | 165.9 | -114.2 | 81.2 | 0 | 0 | 0 | 107.6 | F240 T244 | F240-H242 PolarHBondContact O-N 2.74Å; H242-T244 PolarHBondContact O-N 2.97Å; H242-T244 VanDerWaalsContact O-N 3.11Å | ||
| 243 | S | 25.8 | Very low | 30.8 | Very low | 98 Ų | 98 | 108.8 Ų | 108.8 | 69% | 0.685 | 60% | 0.599 | S | S | * | * | trans | -74.7 | 96.8 | 166.4 | -53.8 | 0 | 0 | 0 | 0 | 108.9 | V241 | V241-S243 PolarHBondContact O-N 3.16Š| ||
| 244 | T | 26.5 | Very low | 30.6 | Very low | 103 Ų | 103 | 113.4 Ų | 113.4 | 63% | 0.632 | 60% | 0.602 | S | S | * | * | trans | -96.6 | 99 | 153.8 | 56.3 | 0 | 0 | 0 | 0 | 106.5 | H242 T246 V285 | H242-T244 PolarHBondContact O-N 2.97Å; H242-T244 VanDerWaalsContact O-N 3.11Å; T244-T246 PolarHBondContact O-N 3.21Å; T244-V285 CarbonylContact C-O 2.86Å; T244-V285 WeakPolarHBondContact CA-O 3.07Å | ||
| 245 | S | 26.8 | Very low | 30.6 | Very low | 65 Ų | 65 | 114 Ų | 114 | 46% | 0.455 | 62% | 0.615 | S | S | . | * | trans | -71.3 | 31.4 | -175.3 | 92.4 | 0 | 0 | 0 | 0 | 120.1 | N247 T284 V285 | S245-N247 PolarHBondContact O-N 3.35Å; S245-T284 WeakPolarHBondContact OG-CB 3.2Å; S245-T284 WeakPolarHBondContact OG-CG2 3.33Å; S245-V285 CarbonylContact C-O 3.13Å; S245-V285 VanDerWaalsContact CA-C 3.47Å; S245-V285 VanDerWaalsContact CA-O 3.24Å; S245-V285 WeakPolarHBondContact CA-O 3.42Å; S245-V285 WeakPolarHBondContact CA-OXT 3.14Å; S245-V285 VanDerWaalsContact CB-OXT 3.32Å; S245-V285 WeakPolarHBondContact CB-OXT 2.84Å; S245-V285 VanDerWaalsContact N-C 3.28Å; S245-V285 PolarHBondContact N-O 3.39Å; S245-V285 PolarHBondContact N-OXT 2.97Å; S245-V285 CarbonylContact O-C 3.56Å; S245-V285 PolarHBondContact OG-OXT 3.27Å | ||
| 246 | T | 30.9 | Very low | 30.4 | Very low | 103 Ų | 103 | 113.8 Ų | 113.8 | 63% | 0.632 | 62% | 0.622 | S | S | * | * | trans | -35.8 | 95.7 | -153.1 | 66.9 | 0 | 0 | 0 | 0 | 117.6 | T244 N248 V285 | T244-T246 PolarHBondContact O-N 3.21Å; T246-N248 PolarHBondContact O-N 2.62Å; T246-N248 VanDerWaalsContact O-N 3.17Å; T246-V285 WeakPolarHBondContact CA-O 3.2Å; T246-V285 WeakPolarHBondContact CA-OXT 3.3Å; T246-V285 VanDerWaalsContact CB-CG1 3.49Å; T246-V285 HydrophobicContact CG2-CB 3.52Å; T246-V285 HydrophobicContact CG2-CG1 3.26Å; T246-V285 PolarHBondContact N-O 3.5Å; T246-V285 PolarHBondContact N-OXT 3.16Å | ||
| 247 | N | 28.3 | Very low | 30.3 | Very low | 122 Ų | 122 | 118.2 Ų | 118.2 | 65% | 0.652 | 64% | 0.643 | S | S | * | * | trans | -75.4 | 102.3 | 179.9 | -148 | 7.2 | 0 | 0 | 0 | 109.5 | S245 V285 | S245-N247 PolarHBondContact O-N 3.35Å; N247-V285 PolarHBondContact N-OXT 3.01Å; N247-V285 VanDerWaalsContact N-OXT 3.16Å | ||
| 248 | N | 32.8 | Very low | 30.1 | Very low | 155 Ų | 155 | 116 Ų | 116 | 83% | 0.829 | 65% | 0.647 | S | S | * | * | trans | -177.7 | 103.9 | 146.1 | -89.6 | -22.5 | 0 | 0 | 0 | 109.8 | T246 H250 | T246-N248 PolarHBondContact O-N 2.62Å; T246-N248 VanDerWaalsContact O-N 3.17Å; N248-H250 PolarHBondContact O-N 2.95Å | ||
| 249 | G | 27 | Very low | 30.1 | Very low | 80 Ų | 80 | 121.1 Ų | 121.1 | 83% | 0.825 | 68% | 0.675 | S | S | * | * | trans | -63.4 | 130.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 250 | H | 30.2 | Very low | 30.5 | Very low | 186 Ų | 186 | 120 Ų | 120 | 86% | 0.861 | 68% | 0.683 | S | S | * | * | trans | -157 | 123.1 | 138.3 | -141.9 | 0.8 | 0 | 0 | 0 | 110.7 | N248 | N248-H250 PolarHBondContact O-N 2.95Š| ||
| 251 | V | 33.5 | Very low | 30.9 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | trans | -57.2 | 144.8 | 176.7 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 252 | P | 29.8 | Very low | 31.6 | Very low | 113 Ų | 113 | 128.7 Ų | 128.7 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | -89 | 146.4 | -167.8 | 35 | -32.7 | 0 | 0 | 0 | 113 | ||||
| 253 | H | 31.6 | Very low | 32.3 | Very low | 198 Ų | 198 | 128.5 Ų | 128.5 | 92% | 0.917 | 73% | 0.732 | S | S | * | * | trans | -124.6 | 123.3 | 160.3 | -108.6 | -72.5 | 0 | 0 | 0 | 111.5 | ||||
| 254 | R | 27.2 | Very low | 33 | Very low | 227 Ų | 227 | 132.2 Ų | 132.2 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | trans | -74 | 126.9 | 179.2 | -174.4 | -175.6 | -167.3 | 177.6 | 4.7 | 111 | ||||
| 255 | T | 32.8 | Very low | 33.5 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 87% | 0.871 | 74% | 0.741 | S | S | * | * | trans | -157.3 | 138.3 | 142.3 | -3.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 256 | T | 29.7 | Very low | 34.2 | Very low | 104 Ų | 104 | 135 Ų | 135 | 64% | 0.638 | 75% | 0.754 | S | S | * | * | trans | -87.6 | 166.9 | -170.5 | 43.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 257 | N | 34.3 | Very low | 34.6 | Very low | 151 Ų | 151 | 136 Ų | 136 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | 85.4 | 143.3 | 162.2 | -52.1 | -23.8 | 0 | 0 | 0 | 116.5 | ||||
| 258 | S | 34.1 | Very low | 35.1 | Very low | 90 Ų | 90 | 137 Ų | 137 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | cis | -178.2 | 160.2 | -21.3 | 65.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 259 | I | 36.6 | Very low | 35.4 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | 93 | 117 | 153 | -61.1 | 159.5 | 0 | 0 | 0 | 119 | ||||
| 260 | A | 38.9 | Very low | 36.1 | Very low | 76 Ų | 76 | 139.2 Ų | 139.2 | 63% | 0.628 | 76% | 0.761 | S | S | * | * | trans | 87.3 | 102.8 | 136.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 261 | N | 38.7 | Very low | 36.4 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | 73.2 | 120 | 108.8 | -73 | -3.8 | 0 | 0 | 0 | 121.6 | |||||
| 262 | N | 42 | Very low | 36.8 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | 100.1 | 110.5 | 125.1 | -69.1 | -9.5 | 0 | 0 | 0 | 120 | |||||
| 263 | N | 40.5 | Very low | 37.1 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | 89.7 | 123.7 | 120.9 | -76.8 | -21.5 | 0 | 0 | 0 | 120.9 | |||||
| 264 | K | 41.1 | Very low | 37.5 | Very low | 176 Ų | 176 | 142 Ų | 142 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | 102.5 | 108.8 | 127.1 | -86.4 | 179.1 | 178.9 | 179.8 | 0 | 120.2 | |||||
| 265 | T | 36.5 | Very low | 38 | Very low | 122 Ų | 122 | 139.8 Ų | 139.8 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | 60.5 | 118.4 | 122.9 | 59 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 266 | S | 41.2 | Very low | 38 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | 153.4 | 120.7 | 98.9 | 69.6 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 267 | V | 40.7 | Very low | 38.1 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | 58 | 113.2 | 107 | -164.5 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 268 | D | 38.8 | Very low | 37.7 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | 173.6 | 152 | 111 | -101.2 | -36.7 | 0 | 0 | 0 | 116.9 | |||||
| 269 | H | 38.3 | Very low | 37.3 | Very low | 170 Ų | 170 | 141.2 Ų | 141.2 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | trans | -42.9 | 152 | -179 | -68.5 | -67.4 | 0 | 0 | 0 | 120.6 | ||||
| 270 | S | 41.1 | Very low | 36.8 | Very low | 112 Ų | 112 | 143.3 Ų | 143.3 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | 171.3 | 136.2 | 101.9 | 67.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 271 | D | 36.5 | Very low | 36.1 | Very low | 151 Ų | 151 | 148.6 Ų | 148.6 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | -59.2 | 148.1 | 173.4 | -61.5 | -56 | 0 | 0 | 0 | 114.1 | ||||
| 272 | N | 41.7 | Very low | 35.4 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 88% | 0.877 | 79% | 0.793 | S | S | * | * | trans | -156.1 | 115.1 | 146.4 | -98 | -32.1 | 0 | 0 | 0 | 111.4 | ||||
| 273 | H | 36.5 | Very low | 34.4 | Very low | 181 Ų | 181 | 154.8 Ų | 154.8 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | -62.8 | 129.7 | 165.4 | -94.1 | -72.5 | 0 | 0 | 0 | 110.7 | ||||
| 274 | H | 41.4 | Very low | 33.6 | Very low | 186 Ų | 186 | 152.8 Ų | 152.8 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -148.4 | 118.8 | 150 | -107.5 | -73.6 | 0 | 0 | 0 | 110.4 | ||||
| 275 | H | 36.4 | Very low | 32.9 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 84% | 0.843 | 79% | 0.785 | S | S | * | * | trans | -52.1 | 130.4 | 157.6 | -90.4 | -93 | 0 | 0 | 0 | 109.4 | ||||
| 276 | D | 33 | Very low | 32.7 | Very low | 142 Ų | 142 | 150.1 Ų | 150.1 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | -174.9 | 135.9 | 116.3 | -122.4 | -38.5 | 0 | 0 | 0 | 114.2 | |||||
| 277 | S | 31.2 | Very low | 32.3 | Very low | 97 Ų | 97 | 152.5 Ų | 152.5 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | 46.1 | 103.7 | 145.5 | -63.2 | 0 | 0 | 0 | 0 | 120.1 | L279 | S277-L279 PolarHBondContact O-N 3.04Š| ||
| 278 | S | 25.5 | Very low | 31.8 | Very low | 113 Ų | 113 | 154.1 Ų | 154.1 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -59.5 | 97 | 166.4 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 279 | L | 27.2 | Very low | 31.4 | Very low | 164 Ų | 164 | 154.7 Ų | 154.7 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -109.9 | 95 | 159.6 | -95.8 | 164.3 | 0 | 0 | 0 | 107.6 | S277 Q281 | S277-L279 PolarHBondContact O-N 3.04Å; L279-Q281 PolarHBondContact O-N 3.26Å | ||
| 280 | F | 26.4 | Very low | 31 | Very low | 201 Ų | 201 | 153.8 Ų | 153.8 | 88% | 0.882 | 79% | 0.794 | S | S | * | * | trans | -78.2 | 104.8 | 173 | -93.6 | -89.2 | 0 | 0 | 0 | 109.7 | ||||
| 281 | Q | 23.8 | Very low | 30.3 | Very low | 188 Ų | 188 | 156.5 Ų | 156.5 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -83.8 | 123.4 | 165.5 | -102.6 | 179.2 | -11.3 | 0 | 0 | 109.6 | L279 R283 | L279-Q281 PolarHBondContact O-N 3.26Å; Q281-R283 PolarHBondContact O-N 3.37Å | ||
| 282 | L | 23 | Very low | 29.9 | Very low | 166 Ų | 166 | 156.9 Ų | 156.9 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -66.4 | 119 | 168.4 | -96.8 | 118.3 | 0 | 0 | 0 | 110.4 | ||||
| 283 | R | 22 | Very low | 28.9 | Very low | 230 Ų | 230 | 156.4 Ų | 156.4 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -138.8 | 107.3 | 151.5 | -87.9 | -172.6 | 176.6 | -179.2 | -1 | 107.5 | Q281 V285 | Q281-R283 PolarHBondContact O-N 3.37Å; R283-V285 PolarHBondContact O-N 3.41Å | ||
| 284 | T | 24 | Very low | 28.3 | Very low | 92 Ų | 92 | 154.3 Ų | 154.3 | 56% | 0.564 | 78% | 0.784 | S | S | * | * | 60.1 | 17.4 | 81.4 | 78.7 | 0 | 0 | 0 | 0 | 116.8 | S245 | S245-T284 WeakPolarHBondContact OG-CB 3.2Å; S245-T284 WeakPolarHBondContact OG-CG2 3.33Å | |||
| 285 | V | 26 | Very low | 27.1 | Very low | 91 Ų | 91 | 151.5 Ų | 151.5 | 55% | 0.552 | 78% | 0.777 | S | S | * | * | trans | -75.8 | 0 | 145 | -131.2 | 0 | 0 | 0 | 0 | 98.8 | T244 S245 T246 N247 R283 | T244-V285 CarbonylContact C-O 2.86Å; T244-V285 WeakPolarHBondContact CA-O 3.07Å; S245-V285 CarbonylContact C-O 3.13Å; S245-V285 VanDerWaalsContact CA-C 3.47Å; S245-V285 VanDerWaalsContact CA-O 3.24Å; S245-V285 WeakPolarHBondContact CA-O 3.42Å; S245-V285 WeakPolarHBondContact CA-OXT 3.14Å; S245-V285 VanDerWaalsContact CB-OXT 3.32Å; S245-V285 WeakPolarHBondContact CB-OXT 2.84Å; S245-V285 VanDerWaalsContact N-C 3.28Å; S245-V285 PolarHBondContact N-O 3.39Å; S245-V285 PolarHBondContact N-OXT 2.97Å; S245-V285 CarbonylContact O-C 3.56Å; S245-V285 PolarHBondContact OG-OXT 3.27Å; T246-V285 WeakPolarHBondContact CA-O 3.2Å; T246-V285 WeakPolarHBondContact CA-OXT 3.3Å; T246-V285 VanDerWaalsContact CB-CG1 3.49Å; T246-V285 HydrophobicContact CG2-CB 3.52Å; T246-V285 HydrophobicContact CG2-CG1 3.26Å; T246-V285 PolarHBondContact N-O 3.5Å; T246-V285 PolarHBondContact N-OXT 3.16Å; N247-V285 PolarHBondContact N-OXT 3.01Å; N247-V285 VanDerWaalsContact N-OXT 3.16Å; R283-V285 PolarHBondContact O-N 3.41Å |
Retrieved 285 of 285 residues in 451.6 ms
(Link to these results)