| 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 | 56.8 | Low | 87.4 | Confident | 140 Ų | 140 | 87.5 Ų | 87.5 | 69% | 0.69 | 42% | 0.424 | S | S | * | . | 0 | 23.1 | 0 | -74 | -169.8 | -175.9 | 0 | 0 | 113.1 | K75 | M1-K75 HydrophobicContact CE-CD 4.09Š| |||
| 2 | Q | 75.2 | Confident | 86.9 | Confident | 182 Ų | 182 | 89.6 Ų | 89.6 | 85% | 0.85 | 43% | 0.432 | S | S | * | . | trans | -80 | -29.6 | 177 | -76 | 173.9 | -9.4 | 0 | 0 | 113.3 | R24 | Q2-R24 WeakPolarHBondContact O-CD 3.35Å; Q2-R24 PolarHBondContact O-NE 2.75Å | ||
| 3 | K | 88.9 | Confident | 85.4 | Confident | 75 Ų | 75 | 86.1 Ų | 86.1 | 33% | 0.326 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -72.4 | -30.8 | -174.3 | -169.4 | 175.2 | 179.7 | -174.4 | 0 | 115.6 | R24 D68 | K3-R24 PolarHBondContact O-N 2.89Å; K3-D68 IonicContact NZ-OD2 3.79Å |
| 4 | Y | 93.7 | Very high | 83.9 | Confident | 22 Ų | 22 | 89.4 Ų | 89.4 | 9% | 0.086 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 127.8 | -175.1 | -60.7 | -82 | 0 | 0 | 0 | 111.7 | K22 N23 V30 L32 L70 V79 | Y4-K22 WeakPolarHBondContact CA-O 3.3Å; Y4-N23 HydrophobicContact CD1-CB 4.03Å; Y4-N23 HydrophobicContact CE1-CB 3.83Å; Y4-V30 HydrophobicContact CD1-CG2 3.65Å; Y4-V30 HydrophobicContact CE1-CG1 4.43Å; Y4-V30 HydrophobicContact CE1-CG2 3.82Å; Y4-L32 HydrophobicContact CD1-CD2 4.47Å; Y4-L32 HydrophobicContact CG-CD2 4.27Å; Y4-L70 HydrophobicContact CD2-CD1 3.75Å; Y4-L70 HydrophobicContact CE2-CD1 3.76Å; Y4-V79 HydrophobicContact CE1-CG1 3.9Å; Y4-V79 HydrophobicContact CE2-CG1 4.49Å; Y4-V79 HydrophobicContact CE2-CG2 3.95Å |
| 5 | E | 94.4 | Very high | 82.8 | Confident | 73 Ų | 73 | 88.6 Ų | 88.6 | 34% | 0.341 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 117.7 | 172.6 | 179.8 | 161 | -110.5 | 0 | 0 | 110.3 | L7 A21 K22 R24 | E5-L7 HydrophobicContact CG-CD2 4.37Å; E5-A21 CarbonylContact O-C 3.54Å; E5-A21 WeakPolarHBondContact O-CA 3.2Å; E5-A21 WeakPolarHBondContact O-CB 3.14Å; E5-K22 PolarHBondContact N-O 3.02Å; E5-K22 PolarHBondContact O-N 3.3Å; E5-R24 HydrophobicContact CB-CG 4.27Å; E5-R24 IonicContact OE1-CZ 3.65Å; E5-R24 IonicContact OE1-NH1 2.97Å; E5-R24 PolarHBondContact OE1-NH1 3.48Å; E5-R24 IonicContact OE1-NH2 3.32Å; E5-R24 PolarHBondContact OE1-NH2 3.46Å; E5-R24 IonicContact OE2-NH1 2.85Å |
| 6 | K | 94.3 | Very high | 82.6 | Confident | 87 Ų | 87 | 83.3 Ų | 83.3 | 38% | 0.378 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 133.3 | 176.5 | -66 | 177.4 | -174.1 | 165.4 | 0 | 109.7 | L32 | K6-L32 HydrophobicContact CG-CD1 4.34Å |
| 7 | L | 95.1 | Very high | 82.9 | Confident | 89 Ų | 89 | 79.6 Ų | 79.6 | 47% | 0.466 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | -61.8 | 179 | -57.9 | 179 | 0 | 0 | 0 | 110.5 | E5 K20 K22 I29 | E5-L7 HydrophobicContact CG-CD2 4.37Å; L7-K20 HydrophobicContact CD1-CD 4.48Å; L7-K20 HydrophobicContact CD1-CG 4.31Å; L7-K20 PolarHBondContact N-O 3.06Å; L7-K22 HydrophobicContact CD1-CB 4.29Å; L7-I29 HydrophobicContact CD1-CD1 4.02Å |
| 8 | E | 95.3 | Very high | 83.4 | Confident | 100 Ų | 100 | 77.3 Ų | 77.3 | 47% | 0.467 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 154.9 | -174.6 | 59.1 | -174.7 | 154.4 | 0 | 0 | 111.6 | I10 F19 K20 | E8-I10 HydrophobicContact CG-CG2 3.95Å; E8-F19 CarbonylContact O-C 3.45Å; E8-F19 VanDerWaalsContact O-CA 3.28Å; E8-F19 WeakPolarHBondContact O-CA 3.49Å; E8-K20 HydrophobicContact CG-CB 3.8Å; E8-K20 HydrophobicContact CG-CD 3.93Å; E8-K20 PolarHBondContact N-O 3.4Å; E8-K20 PolarHBondContact O-N 3.43Å; E8-K20 WeakPolarHBondContact OE1-CD 3.41Å; E8-K20 IonicContact OE1-NZ 2.93Å; E8-K20 PolarHBondContact OE1-NZ 3.32Å |
| 9 | K | 94.1 | Very high | 84 | Confident | 113 Ų | 113 | 75.2 Ų | 75.2 | 49% | 0.491 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 121.6 | 171.4 | -179.2 | -178.1 | 171.4 | -177.3 | 0 | 108.2 | E12 T17 F19 | K9-E12 IonicContact NZ-OE2 2.7Å; K9-E12 PolarHBondContact NZ-OE2 2.67Å; K9-T17 HydrophobicContact CD-CG2 3.92Å; K9-T17 HydrophobicContact CG-CG2 3.9Å; K9-F19 HydrophobicContact CB-CD1 3.98Å; K9-F19 HydrophobicContact CB-CE1 3.89Å; K9-F19 HydrophobicContact CG-CD1 4.49Å; K9-F19 HydrophobicContact CG-CE1 4.2Å |
| 10 | I | 89.8 | Confident | 84.6 | Confident | 54 Ų | 54 | 73.3 Ų | 73.3 | 28% | 0.277 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -15.1 | -175.8 | 61.4 | 176.6 | 0 | 0 | 0 | 113.6 | E8 V18 K20 A31 F82 | E8-I10 HydrophobicContact CG-CG2 3.95Å; I10-V18 HydrophobicContact CD1-CG1 3.74Å; I10-V18 HydrophobicContact CG1-CB 4Å; I10-V18 HydrophobicContact CG1-CG1 3.69Å; I10-V18 PolarHBondContact N-O 2.83Å; I10-K20 HydrophobicContact CG2-CB 3.8Å; I10-A31 HydrophobicContact CD1-CB 4.44Å; I10-F82 HydrophobicContact CD1-CD2 4.39Å; I10-F82 HydrophobicContact CD1-CE2 4Å |
| 11 | G | 83.6 | Confident | 85.2 | Confident | 28 Ų | 28 | 69.8 Ų | 69.8 | 29% | 0.289 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.9 | 162.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V18 | G11-V18 PolarHBondContact N-O 2.84Å; G11-V18 PolarHBondContact O-N 3.38Å |
| 12 | E | 82.3 | Confident | 87.1 | Confident | 112 Ų | 112 | 66.4 Ų | 66.4 | 52% | 0.523 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 125.3 | 170.1 | -174.9 | 169.8 | 177.8 | 0 | 0 | 107.5 | K9 R36 | K9-E12 IonicContact NZ-OE2 2.7Å; K9-E12 PolarHBondContact NZ-OE2 2.67Å; E12-R36 IonicContact OE1-CZ 2.61Å; E12-R36 IonicContact OE1-NH2 3.16Å; E12-R36 PolarHBondContact OE1-NH2 3.41Å |
| 13 | G | 67.4 | Low | 88.1 | Confident | 44 Ų | 44 | 58.1 Ų | 58.1 | 45% | 0.454 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | -179.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y15 G16 | G13-Y15 PolarHBondContact O-N 3.29Å; G13-Y15 VanDerWaalsContact O-N 3.11Å; G13-G16 PolarHBondContact N-O 2.72Å; G13-G16 PolarHBondContact O-N 2.95Å; G13-G16 VanDerWaalsContact O-N 3.11Å |
| 14 | T | 64.3 | Low | 88.4 | Confident | 132 Ų | 132 | 60.6 Ų | 60.6 | 81% | 0.81 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -35.6 | -177.8 | -48.2 | 0 | 0 | 0 | 0 | 113 | ||
| 15 | Y | 66.4 | Low | 88.4 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 31% | 0.306 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 4.8 | -174.2 | -53.3 | -71.2 | 0 | 0 | 0 | 114.1 | G13 V35 | G13-Y15 PolarHBondContact O-N 3.29Å; G13-Y15 VanDerWaalsContact O-N 3.11Å; Y15-V35 WeakPolarHBondContact O-CA 3.25Å |
| 16 | G | 79.8 | Confident | 88.4 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 3% | 0.031 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.1 | -159.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | G13 R34 | G13-G16 PolarHBondContact N-O 2.72Å; G13-G16 PolarHBondContact O-N 2.95Å; G13-G16 VanDerWaalsContact O-N 3.11Å; G16-R34 VanDerWaalsContact CA-O 3.3Å; G16-R34 WeakPolarHBondContact CA-O 3.3Å |
| 17 | T | 88.8 | Confident | 88.4 | Confident | 21 Ų | 21 | 68.3 Ų | 68.3 | 13% | 0.129 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.8 | -170.2 | -50.3 | 0 | 0 | 0 | 0 | 111.4 | K9 F19 R34 | K9-T17 HydrophobicContact CD-CG2 3.92Å; K9-T17 HydrophobicContact CG-CG2 3.9Å; T17-F19 HydrophobicContact CG2-CD2 4.14Å; T17-F19 HydrophobicContact CG2-CE1 4.36Å; T17-F19 HydrophobicContact CG2-CE2 3.39Å; T17-F19 HydrophobicContact CG2-CZ 3.52Å; T17-R34 PolarHBondContact N-O 3.43Å; T17-R34 PolarHBondContact O-N 3.26Å |
| 18 | V | 91.6 | Very high | 88.4 | Confident | 38 Ų | 38 | 68.5 Ų | 68.5 | 23% | 0.23 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 128.8 | -179.7 | -166.7 | 0 | 0 | 0 | 0 | 110.2 | I10 G11 A31 L32 K33 | I10-V18 HydrophobicContact CD1-CG1 3.74Å; I10-V18 HydrophobicContact CG1-CB 4Å; I10-V18 HydrophobicContact CG1-CG1 3.69Å; I10-V18 PolarHBondContact N-O 2.83Å; G11-V18 PolarHBondContact N-O 2.84Å; G11-V18 PolarHBondContact O-N 3.38Å; V18-A31 HydrophobicContact CG1-CB 4.37Å; V18-L32 CarbonylContact C-O 3.53Å; V18-L32 WeakPolarHBondContact CA-O 3.32Å; V18-K33 HydrophobicContact CG2-CB 4.39Å; V18-K33 HydrophobicContact CG2-CG 4.23Å |
| 19 | F | 94.3 | Very high | 88.5 | Confident | 37 Ų | 37 | 66.8 Ų | 66.8 | 16% | 0.162 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 141.8 | 177.1 | -61.9 | -93.6 | 0 | 0 | 0 | 110.5 | E8 K9 T17 A31 L32 R34 | E8-F19 CarbonylContact O-C 3.45Å; E8-F19 VanDerWaalsContact O-CA 3.28Å; E8-F19 WeakPolarHBondContact O-CA 3.49Å; K9-F19 HydrophobicContact CB-CD1 3.98Å; K9-F19 HydrophobicContact CB-CE1 3.89Å; K9-F19 HydrophobicContact CG-CD1 4.49Å; K9-F19 HydrophobicContact CG-CE1 4.2Å; T17-F19 HydrophobicContact CG2-CD2 4.14Å; T17-F19 HydrophobicContact CG2-CE1 4.36Å; T17-F19 HydrophobicContact CG2-CE2 3.39Å; T17-F19 HydrophobicContact CG2-CZ 3.52Å; F19-A31 CarbonylContact O-C 3.5Å; F19-A31 WeakPolarHBondContact O-CA 3.46Å; F19-L32 HydrophobicContact CB-CB 4.39Å; F19-L32 PolarHBondContact N-O 3.47Å; F19-L32 PolarHBondContact O-N 3.47Å; F19-R34 HydrophobicContact CD2-CG 4.34Å; F19-R34 HydrophobicContact CE2-CG 4.39Å |
| 20 | K | 96.1 | Very high | 88.6 | Confident | 38 Ų | 38 | 61.5 Ų | 61.5 | 17% | 0.165 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 136.4 | 160.3 | -175.3 | -175.2 | -175.8 | 176.3 | 0 | 108.6 | L7 E8 I10 I29 F82 | L7-K20 HydrophobicContact CD1-CD 4.48Å; L7-K20 HydrophobicContact CD1-CG 4.31Å; L7-K20 PolarHBondContact N-O 3.06Å; E8-K20 HydrophobicContact CG-CB 3.8Å; E8-K20 HydrophobicContact CG-CD 3.93Å; E8-K20 PolarHBondContact N-O 3.4Å; E8-K20 PolarHBondContact O-N 3.43Å; E8-K20 WeakPolarHBondContact OE1-CD 3.41Å; E8-K20 IonicContact OE1-NZ 2.93Å; E8-K20 PolarHBondContact OE1-NZ 3.32Å; I10-K20 HydrophobicContact CG2-CB 3.8Å; K20-I29 HydrophobicContact CD-CG2 4.35Å; K20-I29 HydrophobicContact CG-CG2 3.82Å; K20-F82 HydrophobicContact CB-CD2 4.36Å; K20-F82 HydrophobicContact CB-CE2 4.01Å; K20-F82 HydrophobicContact CD-CD2 4.41Å; K20-F82 HydrophobicContact CD-CE2 3.75Å; K20-F82 HydrophobicContact CD-CZ 3.85Å; K20-F82 HydrophobicContact CG-CD2 3.88Å; K20-F82 HydrophobicContact CG-CE2 3.64Å; K20-F82 HydrophobicContact CG-CZ 4.22Å |
| 21 | A | 96.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 164 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E5 I29 V30 L32 | E5-A21 CarbonylContact O-C 3.54Å; E5-A21 WeakPolarHBondContact O-CA 3.2Å; E5-A21 WeakPolarHBondContact O-CB 3.14Å; A21-I29 WeakPolarHBondContact O-CA 3.21Å; A21-V30 HydrophobicContact CB-CG2 4.01Å; A21-V30 PolarHBondContact N-O 2.77Å; A21-V30 PolarHBondContact O-N 3.25Å; A21-L32 HydrophobicContact CB-CD1 3.42Å; A21-L32 VanDerWaalsContact CB-CD1 3.42Å; A21-L32 HydrophobicContact CB-CD2 4.47Å; A21-L32 HydrophobicContact CB-CG 3.65Å |
| 22 | K | 97.1 | Very high | 89.4 | Confident | 68 Ų | 68 | 58.4 Ų | 58.4 | 30% | 0.296 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 129.8 | 173.1 | -170.9 | 175.3 | -177.4 | -176.9 | 0 | 109.3 | Y4 E5 L7 R24 H27 E28 I29 | Y4-K22 WeakPolarHBondContact CA-O 3.3Å; E5-K22 PolarHBondContact N-O 3.02Å; E5-K22 PolarHBondContact O-N 3.3Å; L7-K22 HydrophobicContact CD1-CB 4.29Å; K22-R24 PolarHBondContact O-N 3.07Å; K22-H27 VanDerWaalsContact CE-CB 3.47Å; K22-H27 WeakPolarHBondContact CE-O 3.3Å; K22-E28 CarbonylContact C-O 3.47Å; K22-E28 WeakPolarHBondContact CA-O 3.36Å; K22-I29 HydrophobicContact CB-CD1 4.1Å; K22-I29 HydrophobicContact CD-CD1 4.44Å; K22-I29 HydrophobicContact CG-CD1 4.09Å |
| 23 | N | 95.8 | Very high | 89.8 | Confident | 9 Ų | 9 | 54.3 Ų | 54.3 | 5% | 0.048 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 124.3 | 167.4 | -175 | -25.7 | 0 | 0 | 0 | 108.4 | Y4 E25 T26 H27 E28 | Y4-N23 HydrophobicContact CD1-CB 4.03Å; Y4-N23 HydrophobicContact CE1-CB 3.83Å; N23-E25 VanDerWaalsContact C-N 3.28Å; N23-E25 PolarHBondContact O-N 2.95Å; N23-E25 PolarHBondContact OD1-N 2.93Å; N23-T26 WeakPolarHBondContact CB-OG1 3.49Å; N23-T26 VanDerWaalsContact CG-OG1 3.24Å; N23-T26 PolarHBondContact ND2-OG1 3.03Å; N23-T26 PolarHBondContact OD1-N 3.31Å; N23-H27 WeakPolarHBondContact O-CA 3.32Å; N23-H27 PolarHBondContact O-N 3.19Å; N23-E28 HydrophobicContact CB-CB 4.47Å; N23-E28 PolarHBondContact N-O 3.45Å |
| 24 | R | 95 | Very high | 90.9 | Very high | 126 Ų | 126 | 55 Ų | 55 | 48% | 0.475 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -27.2 | -176.8 | -67.4 | -164.5 | -176.4 | -85.4 | -3.4 | 112.9 | Q2 K3 E5 K22 | Q2-R24 WeakPolarHBondContact O-CD 3.35Å; Q2-R24 PolarHBondContact O-NE 2.75Å; K3-R24 PolarHBondContact O-N 2.89Å; E5-R24 HydrophobicContact CB-CG 4.27Å; E5-R24 IonicContact OE1-CZ 3.65Å; E5-R24 IonicContact OE1-NH1 2.97Å; E5-R24 PolarHBondContact OE1-NH1 3.48Å; E5-R24 IonicContact OE1-NH2 3.32Å; E5-R24 PolarHBondContact OE1-NH2 3.46Å; E5-R24 IonicContact OE2-NH1 2.85Å; K22-R24 PolarHBondContact O-N 3.07Å |
| 25 | E | 93.8 | Very high | 91.8 | Very high | 143 Ų | 143 | 49.2 Ų | 49.2 | 67% | 0.668 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -50.2 | -177.6 | -65.5 | 169 | -177.3 | 0 | 0 | 111.7 | N23 | N23-E25 VanDerWaalsContact C-N 3.28Å; N23-E25 PolarHBondContact O-N 2.95Å; N23-E25 PolarHBondContact OD1-N 2.93Å |
| 26 | T | 94.9 | Very high | 92.1 | Very high | 81 Ų | 81 | 52.1 Ų | 52.1 | 50% | 0.497 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -9.8 | -175.5 | 65.3 | 0 | 0 | 0 | 0 | 113.5 | N23 E28 | N23-T26 WeakPolarHBondContact CB-OG1 3.49Å; N23-T26 VanDerWaalsContact CG-OG1 3.24Å; N23-T26 PolarHBondContact ND2-OG1 3.03Å; N23-T26 PolarHBondContact OD1-N 3.31Å; T26-E28 PolarHBondContact O-N 3.39Å; T26-E28 VanDerWaalsContact OG1-CB 3.26Å; T26-E28 WeakPolarHBondContact OG1-CB 3.26Å; T26-E28 PolarHBondContact OG1-N 2.76Å |
| 27 | H | 94.8 | Very high | 91.8 | Very high | 121 Ų | 121 | 53.4 Ų | 53.4 | 56% | 0.56 | 25% | 0.248 | S | C | * | . | trans | 59.1 | 8.8 | -170.7 | -61.8 | -43.6 | 0 | 0 | 0 | 115.6 | K22 N23 | K22-H27 VanDerWaalsContact CE-CB 3.47Å; K22-H27 WeakPolarHBondContact CE-O 3.3Å; N23-H27 WeakPolarHBondContact O-CA 3.32Å; N23-H27 PolarHBondContact O-N 3.19Å | ||
| 28 | E | 95.1 | Very high | 90.6 | Very high | 93 Ų | 93 | 58.1 Ų | 58.1 | 44% | 0.435 | 27% | 0.272 | S | S | . | . | trans | -68.7 | 141.6 | 178.1 | -172.3 | 178.9 | -169.3 | 0 | 0 | 111.8 | K22 N23 T26 V30 | K22-E28 CarbonylContact C-O 3.47Å; K22-E28 WeakPolarHBondContact CA-O 3.36Å; N23-E28 HydrophobicContact CB-CB 4.47Å; N23-E28 PolarHBondContact N-O 3.45Å; T26-E28 PolarHBondContact O-N 3.39Å; T26-E28 VanDerWaalsContact OG1-CB 3.26Å; T26-E28 WeakPolarHBondContact OG1-CB 3.26Å; T26-E28 PolarHBondContact OG1-N 2.76Å; E28-V30 HydrophobicContact CG-CG1 4.41Å | ||
| 29 | I | 96.8 | Very high | 89 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 32% | 0.323 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 129.1 | 174.9 | -57 | -60.6 | 0 | 0 | 0 | 109.3 | L7 K20 A21 K22 F82 | L7-I29 HydrophobicContact CD1-CD1 4.02Å; K20-I29 HydrophobicContact CD-CG2 4.35Å; K20-I29 HydrophobicContact CG-CG2 3.82Å; A21-I29 WeakPolarHBondContact O-CA 3.21Å; K22-I29 HydrophobicContact CB-CD1 4.1Å; K22-I29 HydrophobicContact CD-CD1 4.44Å; K22-I29 HydrophobicContact CG-CD1 4.09Å; I29-F82 HydrophobicContact CB-CB 4.5Å; I29-F82 HydrophobicContact CG2-CB 3.85Å; I29-F82 HydrophobicContact CG2-CD1 3.81Å; I29-F82 HydrophobicContact CG2-CD2 4.21Å; I29-F82 HydrophobicContact CG2-CE1 4.46Å; I29-F82 HydrophobicContact CG2-CG 3.67Å; I29-F82 WeakPolarHBondContact O-CB 3.43Å |
| 30 | V | 96.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.012 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 162.3 | -176.3 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | Y4 A21 E28 L32 V79 F80 | Y4-V30 HydrophobicContact CD1-CG2 3.65Å; Y4-V30 HydrophobicContact CE1-CG1 4.43Å; Y4-V30 HydrophobicContact CE1-CG2 3.82Å; A21-V30 HydrophobicContact CB-CG2 4.01Å; A21-V30 PolarHBondContact N-O 2.77Å; A21-V30 PolarHBondContact O-N 3.25Å; E28-V30 HydrophobicContact CG-CG1 4.41Å; V30-L32 HydrophobicContact CG2-CD2 4.07Å; V30-L32 HydrophobicContact CG2-CG 4.5Å; V30-V79 HydrophobicContact CB-CG1 3.99Å; V30-V79 HydrophobicContact CG1-CG1 4.19Å; V30-V79 HydrophobicContact CG2-CG1 4.03Å; V30-F80 WeakPolarHBondContact CA-O 3.42Å; V30-F80 WeakPolarHBondContact CB-O 3.49Å |
| 31 | A | 95.9 | Very high | 85.2 | Confident | 11 Ų | 11 | 73.4 Ų | 73.4 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | I10 V18 F19 F80 F82 | I10-A31 HydrophobicContact CD1-CB 4.44Å; V18-A31 HydrophobicContact CG1-CB 4.37Å; F19-A31 CarbonylContact O-C 3.5Å; F19-A31 WeakPolarHBondContact O-CA 3.46Å; A31-F80 HydrophobicContact CB-CB 4.21Å; A31-F80 PolarHBondContact N-O 2.75Å; A31-F80 PolarHBondContact O-N 2.91Å; A31-F82 HydrophobicContact CB-CD2 4.46Å |
| 32 | L | 94.2 | Very high | 83.6 | Confident | 7 Ų | 7 | 82.2 Ų | 82.2 | 4% | 0.037 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 105.1 | 177.8 | -57.3 | -178 | 0 | 0 | 0 | 109.9 | Y4 K6 V18 F19 A21 V30 T77 L78 V79 | Y4-L32 HydrophobicContact CD1-CD2 4.47Å; Y4-L32 HydrophobicContact CG-CD2 4.27Å; K6-L32 HydrophobicContact CG-CD1 4.34Å; V18-L32 CarbonylContact C-O 3.53Å; V18-L32 WeakPolarHBondContact CA-O 3.32Å; F19-L32 HydrophobicContact CB-CB 4.39Å; F19-L32 PolarHBondContact N-O 3.47Å; F19-L32 PolarHBondContact O-N 3.47Å; A21-L32 HydrophobicContact CB-CD1 3.42Å; A21-L32 VanDerWaalsContact CB-CD1 3.42Å; A21-L32 HydrophobicContact CB-CD2 4.47Å; A21-L32 HydrophobicContact CB-CG 3.65Å; V30-L32 HydrophobicContact CG2-CD2 4.07Å; V30-L32 HydrophobicContact CG2-CG 4.5Å; L32-T77 HydrophobicContact CB-CG2 3.94Å; L32-T77 HydrophobicContact CD2-CG2 4.2Å; L32-L78 WeakPolarHBondContact CA-O 3.13Å; L32-V79 HydrophobicContact CD2-CB 4.24Å; L32-V79 HydrophobicContact CD2-CG1 4.01Å; L32-V79 HydrophobicContact CD2-CG2 3.77Å |
| 33 | K | 91.1 | Very high | 82.3 | Confident | 25 Ų | 25 | 81 Ų | 81 | 11% | 0.109 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 104.1 | 171.7 | -174.3 | 178 | -174.9 | -172.4 | 0 | 108.3 | V18 E51 T77 L78 F80 D144 | V18-K33 HydrophobicContact CG2-CB 4.39Å; V18-K33 HydrophobicContact CG2-CG 4.23Å; K33-E51 VanDerWaalsContact NZ-CD 3.3Å; K33-E51 IonicContact NZ-OE1 2.77Å; K33-E51 PolarHBondContact NZ-OE1 2.89Å; K33-E51 IonicContact NZ-OE2 3.02Å; K33-E51 PolarHBondContact NZ-OE2 2.97Å; K33-T77 WeakPolarHBondContact O-CA 3.47Å; K33-L78 HydrophobicContact CB-CB 4.3Å; K33-L78 PolarHBondContact N-O 2.83Å; K33-L78 PolarHBondContact O-N 3.35Å; K33-F80 HydrophobicContact CB-CD2 4.2Å; K33-F80 HydrophobicContact CB-CE2 3.98Å; K33-F80 HydrophobicContact CD-CE2 4.11Å; K33-D144 IonicContact NZ-OD1 3.7Å; K33-D144 PolarHBondContact NZ-OD1 2.95Å |
| 34 | R | 88.9 | Confident | 81.3 | Confident | 59 Ų | 59 | 82.6 Ų | 82.6 | 22% | 0.223 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 112.5 | 177.2 | -68.5 | -174.6 | 62.5 | -152 | -10 | 109.2 | G16 T17 F19 K75 T77 | G16-R34 VanDerWaalsContact CA-O 3.3Å; G16-R34 WeakPolarHBondContact CA-O 3.3Å; T17-R34 PolarHBondContact N-O 3.43Å; T17-R34 PolarHBondContact O-N 3.26Å; F19-R34 HydrophobicContact CD2-CG 4.34Å; F19-R34 HydrophobicContact CE2-CG 4.39Å; R34-K75 VanDerWaalsContact NH2-CE 3.27Å; R34-T77 HydrophobicContact CG-CG2 3.96Å |
| 35 | V | 83.6 | Confident | 80.4 | Confident | 11 Ų | 11 | 78.5 Ų | 78.5 | 7% | 0.067 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 133 | 176.5 | -175.5 | 0 | 0 | 0 | 0 | 108.5 | Y15 L37 P45 A48 L76 L78 | Y15-V35 WeakPolarHBondContact O-CA 3.25Å; V35-L37 HydrophobicContact CG1-CD2 4.46Å; V35-L37 PolarHBondContact O-N 2.99Å; V35-P45 HydrophobicContact CG1-CG 4.11Å; V35-A48 HydrophobicContact CG1-CB 4.12Å; V35-A48 HydrophobicContact CG2-CB 4.22Å; V35-L76 HydrophobicContact CB-CB 4.2Å; V35-L76 HydrophobicContact CB-CD2 4.49Å; V35-L76 HydrophobicContact CG2-CD2 4.26Å; V35-L76 HydrophobicContact CG2-CG 4.47Å; V35-L76 PolarHBondContact N-O 2.84Å; V35-L78 HydrophobicContact CG2-CG 4.45Å |
| 36 | R | 73.1 | Confident | 79.6 | Confident | 138 Ų | 138 | 75.8 Ų | 75.8 | 52% | 0.521 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 121.5 | 169.2 | -66.7 | -177.9 | -176.4 | 172.3 | 4.2 | 107.2 | E12 | E12-R36 IonicContact OE1-CZ 2.61Å; E12-R36 IonicContact OE1-NH2 3.16Å; E12-R36 PolarHBondContact OE1-NH2 3.41Å |
| 37 | L | 72.5 | Confident | 78.6 | Confident | 31 Ų | 31 | 72.9 Ų | 72.9 | 16% | 0.162 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -93.5 | 122.1 | 164.6 | -55.9 | -174.9 | 0 | 0 | 0 | 104.3 | V35 V44 K74 L76 | V35-L37 HydrophobicContact CG1-CD2 4.46Å; V35-L37 PolarHBondContact O-N 2.99Å; L37-V44 HydrophobicContact CD2-CB 4.4Å; L37-V44 HydrophobicContact CD2-CG2 4.13Å; L37-K74 VanDerWaalsContact CD1-C 3.5Å; L37-L76 HydrophobicContact CD2-CB 4.35Å |
| 38 | D | 64.3 | Low | 77.7 | Confident | 119 Ų | 119 | 67.3 Ų | 67.3 | 64% | 0.636 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 149.1 | 174 | -64.7 | -38.3 | 0 | 0 | 0 | 108.4 | D40 | D38-D40 PolarHBondContact O-N 3.31Š|
| 39 | D | 58.9 | Low | 77.1 | Confident | 130 Ų | 130 | 67.1 Ų | 67.1 | 70% | 0.695 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -73.6 | -5.5 | 178.5 | -82.3 | -49.9 | 0 | 0 | 0 | 112.2 | K74 | D39-K74 IonicContact OD1-NZ 2.72Å; D39-K74 PolarHBondContact OD1-NZ 3.11Å |
| 40 | D | 56.1 | Low | 76.3 | Confident | 126 Ų | 126 | 68 Ų | 68 | 67% | 0.674 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -76.8 | 135.8 | 170.8 | -62.4 | -31.5 | 0 | 0 | 0 | 109 | D38 E42 | D38-D40 PolarHBondContact O-N 3.31Å; D40-E42 PolarHBondContact O-N 2.86Å |
| 41 | D | 54.5 | Low | 75.5 | Confident | 178 Ų | 178 | 68.2 Ų | 68.2 | 95% | 0.952 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | 13.2 | -171 | -78.1 | -44.8 | 0 | 0 | 0 | 117.2 | G43 | D41-G43 VanDerWaalsContact C-N 3.29Å; D41-G43 PolarHBondContact O-N 2.97Å |
| 42 | E | 62.8 | Low | 75 | Confident | 185 Ų | 185 | 68.3 Ų | 68.3 | 86% | 0.864 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -8.9 | -179.9 | -63.8 | -160.1 | 164.1 | 0 | 0 | 114.3 | D40 | D40-E42 PolarHBondContact O-N 2.86Š|
| 43 | G | 70.1 | Confident | 74.7 | Confident | 44 Ų | 44 | 71.9 Ų | 71.9 | 45% | 0.454 | 38% | 0.384 | S | S | . | . | trans | 71.8 | -140.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D41 | D41-G43 VanDerWaalsContact C-N 3.29Å; D41-G43 PolarHBondContact O-N 2.97Å | ||
| 44 | V | 74.5 | Confident | 74.5 | Confident | 41 Ų | 41 | 71.8 Ų | 71.8 | 25% | 0.248 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -77.5 | 127.7 | -176 | -180 | 0 | 0 | 0 | 0 | 110.9 | L37 S46 A48 L49 L76 | L37-V44 HydrophobicContact CD2-CB 4.4Å; L37-V44 HydrophobicContact CD2-CG2 4.13Å; V44-S46 PolarHBondContact O-N 2.87Å; V44-A48 HydrophobicContact CG1-CB 4.2Å; V44-L49 HydrophobicContact CB-CD1 4.44Å; V44-L49 HydrophobicContact CB-CG 4.34Å; V44-L49 HydrophobicContact CG1-CD1 4.42Å; V44-L49 HydrophobicContact CG1-CD2 4.08Å; V44-L49 HydrophobicContact CG1-CG 3.83Å; V44-L76 HydrophobicContact CG1-CD2 3.55Å |
| 45 | P | 75.3 | Confident | 74.6 | Confident | 40 Ų | 40 | 69 Ų | 69 | 26% | 0.26 | 37% | 0.374 | S | S | . | . | trans | -54.8 | 134.8 | 178.4 | -27.2 | 33.8 | 0 | 0 | 0 | 113.1 | V35 S47 A48 L49 | V35-P45 HydrophobicContact CG1-CG 4.11Å; P45-S47 PolarHBondContact O-N 3.4Å; P45-S47 VanDerWaalsContact O-N 3.14Å; P45-A48 HydrophobicContact CB-CB 4.43Å; P45-A48 WeakPolarHBondContact O-CB 3.36Å; P45-A48 PolarHBondContact O-N 3.08Å; P45-L49 PolarHBondContact O-N 3.35Å | ||
| 46 | S | 77.1 | Confident | 74.8 | Confident | 86 Ų | 86 | 74.4 Ų | 74.4 | 60% | 0.601 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -59.3 | -28.4 | -179.2 | 67.8 | 0 | 0 | 0 | 0 | 113.7 | V44 R50 | V44-S46 PolarHBondContact O-N 2.87Å; S46-R50 WeakPolarHBondContact O-CB 3.35Å; S46-R50 PolarHBondContact O-N 3.41Å; S46-R50 VanDerWaalsContact O-N 3.08Å |
| 47 | S | 73.4 | Confident | 75.6 | Confident | 20 Ų | 20 | 74.4 Ų | 74.4 | 14% | 0.14 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 173.1 | 52.3 | 0 | 0 | 0 | 0 | 112.3 | P45 R50 E51 | P45-S47 PolarHBondContact O-N 3.4Å; P45-S47 VanDerWaalsContact O-N 3.14Å; S47-R50 PolarHBondContact O-N 3.41Å; S47-E51 WeakPolarHBondContact O-CB 3.41Å; S47-E51 PolarHBondContact O-N 2.96Å |
| 48 | A | 77 | Confident | 76.6 | Confident | 4 Ų | 4 | 73.1 Ų | 73.1 | 3% | 0.033 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -68.4 | -43.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V35 V44 P45 R50 E51 I52 L76 | V35-A48 HydrophobicContact CG1-CB 4.12Å; V35-A48 HydrophobicContact CG2-CB 4.22Å; V44-A48 HydrophobicContact CG1-CB 4.2Å; P45-A48 HydrophobicContact CB-CB 4.43Å; P45-A48 WeakPolarHBondContact O-CB 3.36Å; P45-A48 PolarHBondContact O-N 3.08Å; A48-R50 VanDerWaalsContact C-N 3.31Å; A48-R50 PolarHBondContact O-N 3.22Å; A48-E51 PolarHBondContact O-N 2.9Å; A48-I52 WeakPolarHBondContact O-CD1 3.5Å; A48-I52 VanDerWaalsContact O-CG1 3.25Å; A48-I52 WeakPolarHBondContact O-CG1 3.45Å; A48-I52 PolarHBondContact O-N 2.85Å; A48-L76 HydrophobicContact CB-CD2 4.18Å |
| 49 | L | 81.2 | Confident | 78.1 | Confident | 90 Ų | 90 | 73.3 Ų | 73.3 | 47% | 0.471 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 174.8 | -71.7 | 172.1 | 0 | 0 | 0 | 111.7 | V44 P45 I52 C53 | V44-L49 HydrophobicContact CB-CD1 4.44Å; V44-L49 HydrophobicContact CB-CG 4.34Å; V44-L49 HydrophobicContact CG1-CD1 4.42Å; V44-L49 HydrophobicContact CG1-CD2 4.08Å; V44-L49 HydrophobicContact CG1-CG 3.83Å; P45-L49 PolarHBondContact O-N 3.35Å; L49-I52 PolarHBondContact O-N 2.92Å; L49-C53 PolarHBondContact O-N 3.44Å; L49-C53 PolarHBondContact O-SG 3.46Å |
| 50 | R | 80.1 | Confident | 80 | Confident | 82 Ų | 82 | 69.1 Ų | 69.1 | 31% | 0.309 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63 | -47.2 | 176.4 | -171.8 | -177.1 | -55.4 | 132.5 | 6.1 | 111.8 | S46 S47 A48 I52 C53 L54 A148 | S46-R50 WeakPolarHBondContact O-CB 3.35Å; S46-R50 PolarHBondContact O-N 3.41Å; S46-R50 VanDerWaalsContact O-N 3.08Å; S47-R50 PolarHBondContact O-N 3.41Å; A48-R50 VanDerWaalsContact C-N 3.31Å; A48-R50 PolarHBondContact O-N 3.22Å; R50-I52 VanDerWaalsContact C-N 3.31Å; R50-I52 PolarHBondContact O-N 3.14Å; R50-C53 PolarHBondContact O-N 2.88Å; R50-L54 HydrophobicContact CG-CD1 3.98Å; R50-L54 HydrophobicContact CG-CG 4.4Å; R50-L54 WeakPolarHBondContact O-CG 3.26Å; R50-L54 PolarHBondContact O-N 2.92Å; R50-A148 WeakPolarHBondContact CD-O 3.41Å |
| 51 | E | 80.8 | Confident | 81.9 | Confident | 5 Ų | 5 | 67.6 Ų | 67.6 | 2% | 0.023 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -56 | -46.7 | 176.4 | 178.2 | 169.5 | -154.6 | 0 | 0 | 110.5 | K33 S47 A48 L54 L55 F145 | K33-E51 VanDerWaalsContact NZ-CD 3.3Å; K33-E51 IonicContact NZ-OE1 2.77Å; K33-E51 PolarHBondContact NZ-OE1 2.89Å; K33-E51 IonicContact NZ-OE2 3.02Å; K33-E51 PolarHBondContact NZ-OE2 2.97Å; S47-E51 WeakPolarHBondContact O-CB 3.41Å; S47-E51 PolarHBondContact O-N 2.96Å; A48-E51 PolarHBondContact O-N 2.9Å; E51-L54 PolarHBondContact O-N 2.97Å; E51-L55 HydrophobicContact CG-CD1 3.52Å; E51-L55 HydrophobicContact CG-CG 4.46Å; E51-L55 VanDerWaalsContact O-CB 3.3Å; E51-L55 WeakPolarHBondContact O-CB 3.43Å; E51-L55 WeakPolarHBondContact O-CD1 3.44Å; E51-L55 VanDerWaalsContact O-CG 3.32Å; E51-L55 WeakPolarHBondContact O-CG 3.49Å; E51-L55 PolarHBondContact O-N 3.3Å; E51-F145 HydrophobicContact CG-CB 4.36Å |
| 52 | I | 86.5 | Confident | 84 | Confident | 14 Ų | 14 | 59.2 Ų | 59.2 | 7% | 0.072 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.1 | -50.5 | 175.8 | -67.6 | 160.2 | 0 | 0 | 0 | 111.9 | A48 L49 R50 L54 L55 K56 L66 V69 L76 L78 | A48-I52 WeakPolarHBondContact O-CD1 3.5Å; A48-I52 VanDerWaalsContact O-CG1 3.25Å; A48-I52 WeakPolarHBondContact O-CG1 3.45Å; A48-I52 PolarHBondContact O-N 2.85Å; L49-I52 PolarHBondContact O-N 2.92Å; R50-I52 VanDerWaalsContact C-N 3.31Å; R50-I52 PolarHBondContact O-N 3.14Å; I52-L54 PolarHBondContact O-N 3.06Å; I52-L55 PolarHBondContact O-N 3.3Å; I52-K56 HydrophobicContact CG2-CD 4.25Å; I52-K56 WeakPolarHBondContact O-CB 3.37Å; I52-K56 WeakPolarHBondContact O-CG 3.13Å; I52-K56 PolarHBondContact O-N 3.07Å; I52-L66 HydrophobicContact CG2-CD2 4.39Å; I52-V69 HydrophobicContact CD1-CG1 4.03Å; I52-V69 HydrophobicContact CD1-CG2 4.38Å; I52-V69 HydrophobicContact CG1-CG2 4.13Å; I52-V69 HydrophobicContact CG2-CG2 4.01Å; I52-L76 HydrophobicContact CD1-CD2 4.02Å; I52-L78 HydrophobicContact CD1-CD2 3.6Å; I52-L78 HydrophobicContact CG1-CD1 4.36Å; I52-L78 HydrophobicContact CG1-CD2 3.51Å |
| 53 | C | 87.1 | Confident | 85.6 | Confident | 82 Ų | 82 | 50.5 Ų | 50.5 | 55% | 0.554 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -62.1 | -42.8 | -177.6 | -71.5 | 0 | 0 | 0 | 0 | 112 | L49 R50 | L49-C53 PolarHBondContact O-N 3.44Å; L49-C53 PolarHBondContact O-SG 3.46Å; R50-C53 PolarHBondContact O-N 2.88Å |
| 54 | L | 87.4 | Confident | 86.9 | Confident | 22 Ų | 22 | 48.7 Ų | 48.7 | 12% | 0.115 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.1 | -48.8 | 178.1 | -68.5 | 174.2 | 0 | 0 | 0 | 111.3 | R50 E51 I52 K56 E57 L58 V122 A148 | R50-L54 HydrophobicContact CG-CD1 3.98Å; R50-L54 HydrophobicContact CG-CG 4.4Å; R50-L54 WeakPolarHBondContact O-CG 3.26Å; R50-L54 PolarHBondContact O-N 2.92Å; E51-L54 PolarHBondContact O-N 2.97Å; I52-L54 PolarHBondContact O-N 3.06Å; L54-K56 VanDerWaalsContact C-N 3.28Å; L54-K56 PolarHBondContact O-N 3.34Å; L54-E57 PolarHBondContact O-N 3.41Å; L54-L58 HydrophobicContact CB-CD1 4.36Å; L54-L58 WeakPolarHBondContact O-CB 3.37Å; L54-L58 VanDerWaalsContact O-CG 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.47Å; L54-L58 PolarHBondContact O-N 2.81Å; L54-V122 HydrophobicContact CD1-CG1 4.37Å; L54-V122 HydrophobicContact CD2-CG1 4.26Å; L54-V122 HydrophobicContact CD2-CG2 3.9Å; L54-A148 HydrophobicContact CD1-CB 3.6Å |
| 55 | L | 89.9 | Confident | 87.9 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.4 | -23 | -176.1 | -73.1 | 166.8 | 0 | 0 | 0 | 114 | E51 I52 E57 I63 V64 L66 F80 F145 | E51-L55 HydrophobicContact CG-CD1 3.52Å; E51-L55 HydrophobicContact CG-CG 4.46Å; E51-L55 VanDerWaalsContact O-CB 3.3Å; E51-L55 WeakPolarHBondContact O-CB 3.43Å; E51-L55 WeakPolarHBondContact O-CD1 3.44Å; E51-L55 VanDerWaalsContact O-CG 3.32Å; E51-L55 WeakPolarHBondContact O-CG 3.49Å; E51-L55 PolarHBondContact O-N 3.3Å; I52-L55 PolarHBondContact O-N 3.3Å; L55-E57 VanDerWaalsContact C-N 3.26Å; L55-E57 PolarHBondContact O-N 3.48Å; L55-I63 HydrophobicContact CD2-CG2 4.17Å; L55-V64 HydrophobicContact CD2-CG1 4.4Å; L55-L66 HydrophobicContact CB-CB 3.94Å; L55-L66 HydrophobicContact CB-CD2 4.05Å; L55-L66 HydrophobicContact CD1-CB 4.43Å; L55-F80 HydrophobicContact CD1-CE1 3.48Å; L55-F80 VanDerWaalsContact CD1-CE1 3.48Å; L55-F80 HydrophobicContact CD1-CZ 3.74Å; L55-F145 HydrophobicContact CD2-CD2 3.7Å; L55-F145 HydrophobicContact CD2-CE2 4.05Å; L55-F145 HydrophobicContact CD2-CG 4.17Å; L55-F145 HydrophobicContact CG-CB 4.42Å; L55-F145 HydrophobicContact CG-CD2 4.39Å; L55-F145 HydrophobicContact CG-CG 4.48Å |
| 56 | K | 89.3 | Confident | 88.8 | Confident | 123 Ų | 123 | 50 Ų | 50 | 54% | 0.535 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63 | -34.7 | 170.1 | -82.7 | -176 | 174.5 | -173.2 | 0 | 112.3 | I52 L54 K59 | I52-K56 HydrophobicContact CG2-CD 4.25Å; I52-K56 WeakPolarHBondContact O-CB 3.37Å; I52-K56 WeakPolarHBondContact O-CG 3.13Å; I52-K56 PolarHBondContact O-N 3.07Å; L54-K56 VanDerWaalsContact C-N 3.28Å; L54-K56 PolarHBondContact O-N 3.34Å; K56-K59 WeakPolarHBondContact O-CE 3.03Å |
| 57 | E | 89.4 | Confident | 89.6 | Confident | 139 Ų | 139 | 49.9 Ų | 49.9 | 65% | 0.65 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -91 | -28.7 | 180 | -60.9 | -53.4 | 133.7 | 0 | 0 | 112.9 | L54 L55 K59 | L54-E57 PolarHBondContact O-N 3.41Å; L55-E57 VanDerWaalsContact C-N 3.26Å; L55-E57 PolarHBondContact O-N 3.48Å; E57-K59 PolarHBondContact O-N 2.89Å |
| 58 | L | 93.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | trans | -83.6 | 76.9 | -176.4 | -66.9 | 177.4 | 0 | 0 | 0 | 112.9 | L54 I63 F116 R120 V122 F145 | L54-L58 HydrophobicContact CB-CD1 4.36Å; L54-L58 WeakPolarHBondContact O-CB 3.37Å; L54-L58 VanDerWaalsContact O-CG 3.3Å; L54-L58 WeakPolarHBondContact O-CG 3.47Å; L54-L58 PolarHBondContact O-N 2.81Å; L58-I63 HydrophobicContact CB-CD1 4.16Å; L58-I63 HydrophobicContact CB-CG2 4.31Å; L58-F116 HydrophobicContact CB-CE1 4.43Å; L58-F116 HydrophobicContact CD2-CD1 4.17Å; L58-F116 HydrophobicContact CD2-CE1 3.98Å; L58-R120 HydrophobicContact CD2-CB 4.16Å; L58-V122 HydrophobicContact CD1-CB 4.49Å; L58-V122 HydrophobicContact CD1-CG1 4.15Å; L58-V122 HydrophobicContact CD1-CG2 4.37Å; L58-V122 HydrophobicContact CD2-CG2 4.14Å; L58-F145 HydrophobicContact CD1-CD1 3.79Å; L58-F145 HydrophobicContact CD1-CE1 3.44Å; L58-F145 VanDerWaalsContact CD1-CE1 3.44Å; L58-F145 HydrophobicContact CD1-CZ 4.11Å | ||
| 59 | K | 96.2 | Very high | 91.1 | Very high | 123 Ų | 123 | 53.4 Ų | 53.4 | 54% | 0.535 | 25% | 0.254 | S | S | . | . | trans | -99.1 | 92.7 | -179.9 | -56.8 | -173.6 | 179.4 | 168.5 | 0 | 112 | K56 E57 F116 | K56-K59 WeakPolarHBondContact O-CE 3.03Å; E57-K59 PolarHBondContact O-N 2.89Å; K59-F116 WeakPolarHBondContact O-CZ 3.28Å | ||
| 60 | H | 97.4 | Very high | 91.6 | Very high | 43 Ų | 43 | 51.7 Ų | 51.7 | 20% | 0.199 | 25% | 0.245 | C | C | . | . | trans | -145.5 | 150.9 | 179.5 | -175 | -100.7 | 0 | 0 | 0 | 111.9 | N62 I63 F116 | H60-N62 VanDerWaalsContact C-N 3.26Å; H60-N62 PolarHBondContact CE1-OD1 2.94Å; H60-N62 VanDerWaalsContact CE1-OD1 3.29Å; H60-N62 PolarHBondContact ND1-N 2.77Å; H60-N62 VanDerWaalsContact ND1-N 3.12Å; H60-N62 PolarHBondContact O-N 2.92Å; H60-I63 HydrophobicContact CB-CB 4.34Å; H60-I63 HydrophobicContact CB-CD1 3.91Å; H60-I63 HydrophobicContact CB-CG1 4.06Å; H60-I63 PolarHBondContact O-N 3.05Å; H60-I63 VanDerWaalsContact O-N 3.1Å; H60-F116 HydrophobicContact CB-CB 4.33Å; H60-F116 HydrophobicContact CB-CD1 3.65Å; H60-F116 HydrophobicContact CB-CD2 3.84Å; H60-F116 HydrophobicContact CB-CE1 3.73Å; H60-F116 HydrophobicContact CB-CE2 3.89Å; H60-F116 HydrophobicContact CB-CG 3.68Å; H60-F116 HydrophobicContact CB-CZ 3.83Å; H60-F116 AromaticContact CD2-CD2 3.47Å; H60-F116 VanDerWaalsContact CD2-CD2 3.47Å; H60-F116 WeakPolarHBondContact CD2-CD2 3.07Å; H60-F116 AromaticContact CD2-CE2 4Å; H60-F116 AromaticContact CD2-CG 3.81Å; H60-F116 AromaticContact CG-CD2 3.84Å; H60-F116 AromaticContact CG-CG 3.76Å | ||
| 61 | K | 96.6 | Very high | 91.8 | Very high | 94 Ų | 94 | 53.9 Ų | 53.9 | 41% | 0.409 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -33.2 | -176.4 | 70.8 | 174.4 | -169.2 | 161.8 | 0 | 113.9 | K141 | K61-K141 WeakPolarHBondContact O-CG 3.24Å; K61-K141 PolarHBondContact O-NZ 3.49Å |
| 62 | N | 97.9 | Very high | 91.8 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.011 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 22 | 178.7 | -55.9 | 110.5 | 0 | 0 | 0 | 113.4 | H60 Q109 L140 L142 | H60-N62 VanDerWaalsContact C-N 3.26Å; H60-N62 PolarHBondContact CE1-OD1 2.94Å; H60-N62 VanDerWaalsContact CE1-OD1 3.29Å; H60-N62 PolarHBondContact ND1-N 2.77Å; H60-N62 VanDerWaalsContact ND1-N 3.12Å; H60-N62 PolarHBondContact O-N 2.92Å; N62-Q109 WeakPolarHBondContact CB-O 3.48Å; N62-Q109 WeakPolarHBondContact ND2-CB 3.43Å; N62-Q109 PolarHBondContact ND2-OE1 3.33Å; N62-L140 WeakPolarHBondContact CA-O 3.46Å; N62-L140 WeakPolarHBondContact CB-O 3.33Å; N62-L140 PolarHBondContact ND2-O 3.26Å; N62-L142 PolarHBondContact O-N 3.3Å |
| 63 | I | 97.8 | Very high | 91.1 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | B | Isolated β-bridge | trans | -128.4 | 133.9 | 171.5 | -61.7 | 177 | 0 | 0 | 0 | 107.1 | L55 L58 H60 R65 F116 C117 L142 F145 | L55-I63 HydrophobicContact CD2-CG2 4.17Å; L58-I63 HydrophobicContact CB-CD1 4.16Å; L58-I63 HydrophobicContact CB-CG2 4.31Å; H60-I63 HydrophobicContact CB-CB 4.34Å; H60-I63 HydrophobicContact CB-CD1 3.91Å; H60-I63 HydrophobicContact CB-CG1 4.06Å; H60-I63 PolarHBondContact O-N 3.05Å; H60-I63 VanDerWaalsContact O-N 3.1Å; I63-R65 PolarHBondContact O-N 3.01Å; I63-F116 HydrophobicContact CD1-CD1 3.52Å; I63-F116 HydrophobicContact CD1-CE1 4.07Å; I63-F116 HydrophobicContact CD1-CG 4.41Å; I63-C117 WeakPolarHBondContact CD1-SG 3.33Å; I63-L142 HydrophobicContact CG1-CB 4.39Å; I63-L142 HydrophobicContact CG1-CD1 4.35Å; I63-F145 HydrophobicContact CG2-CE2 3.8Å; I63-F145 HydrophobicContact CG2-CZ 3.81Å |
| 64 | V | 95.9 | Very high | 90.6 | Very high | 6 Ų | 6 | 65.9 Ų | 65.9 | 4% | 0.036 | 32% | 0.315 | C | S | . | . | trans | -59 | 128.4 | -179.4 | 71.6 | 0 | 0 | 0 | 0 | 110.6 | L55 L66 F80 E81 L133 L142 A143 | L55-V64 HydrophobicContact CD2-CG1 4.4Å; V64-L66 PolarHBondContact O-N 2.94Å; V64-F80 HydrophobicContact CG1-CD1 4.02Å; V64-F80 HydrophobicContact CG1-CE1 4.02Å; V64-F80 HydrophobicContact CG2-CB 4.36Å; V64-F80 HydrophobicContact CG2-CD1 3.96Å; V64-E81 WeakPolarHBondContact CA-OE1 3.13Å; V64-E81 HydrophobicContact CG2-CG 3.73Å; V64-L133 HydrophobicContact CG2-CD1 4.14Å; V64-L142 WeakPolarHBondContact CB-O 3.4Å; V64-L142 WeakPolarHBondContact CG1-O 3.5Å; V64-L142 PolarHBondContact N-O 3.3Å; V64-A143 HydrophobicContact CB-CB 4.22Å; V64-A143 HydrophobicContact CG1-CB 3.88Å | ||
| 65 | R | 95.9 | Very high | 90.2 | Very high | 93 Ų | 93 | 69.2 Ų | 69.2 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | trans | -79.3 | 122.6 | -178.9 | -174.6 | 57.4 | 172 | -134.9 | -5.6 | 111.2 | I63 F80 E81 | I63-R65 PolarHBondContact O-N 3.01Å; R65-F80 CarbonylContact O-C 3.46Å; R65-F80 VanDerWaalsContact O-CA 3.24Å; R65-F80 WeakPolarHBondContact O-CA 3.26Å; R65-E81 HydrophobicContact CB-CB 4.2Å; R65-E81 HydrophobicContact CB-CG 4.04Å; R65-E81 WeakPolarHBondContact CB-OE1 3.06Å; R65-E81 PolarHBondContact N-OE1 2.92Å; R65-E81 PolarHBondContact O-N 3.2Å | ||
| 66 | L | 95.1 | Very high | 90.1 | Very high | 16 Ų | 16 | 69.5 Ų | 69.5 | 8% | 0.084 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 114.9 | 160.4 | -177.4 | 66.9 | 0 | 0 | 0 | 108.8 | I52 L55 V64 V69 L78 F80 | I52-L66 HydrophobicContact CG2-CD2 4.39Å; L55-L66 HydrophobicContact CB-CB 3.94Å; L55-L66 HydrophobicContact CB-CD2 4.05Å; L55-L66 HydrophobicContact CD1-CB 4.43Å; V64-L66 PolarHBondContact O-N 2.94Å; L66-V69 HydrophobicContact CD1-CG2 4.36Å; L66-V69 HydrophobicContact CD2-CG2 3.99Å; L66-V69 HydrophobicContact CG-CG2 4.43Å; L66-L78 HydrophobicContact CD1-CB 3.94Å; L66-F80 HydrophobicContact CB-CD1 4.32Å; L66-F80 HydrophobicContact CB-CE1 4.15Å; L66-F80 HydrophobicContact CD1-CD1 4.26Å; L66-F80 HydrophobicContact CD1-CD2 4.39Å; L66-F80 HydrophobicContact CD1-CE1 4.03Å; L66-F80 HydrophobicContact CD1-CE2 4.15Å; L66-F80 HydrophobicContact CD1-CG 4.46Å; L66-F80 HydrophobicContact CD1-CZ 3.96Å |
| 67 | H | 93.6 | Very high | 90.2 | Very high | 82 Ų | 82 | 64.1 Ų | 64.1 | 38% | 0.38 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -45.6 | 177.7 | -65.8 | -64.5 | 0 | 0 | 0 | 112.3 | V79 F80 E81 | H67-V79 HydrophobicContact CB-CG1 4.37Å; H67-V79 PolarHBondContact N-O 2.8Å; H67-F80 VanDerWaalsContact CD2-C 3.44Å; H67-E81 PolarHBondContact CD2-N 2.9Å; H67-E81 VanDerWaalsContact CD2-N 3.26Å; H67-E81 VanDerWaalsContact NE2-CA 3.33Å; H67-E81 WeakPolarHBondContact NE2-CA 3.41Å; H67-E81 WeakPolarHBondContact NE2-CB 3.26Å; H67-E81 PolarHBondContact NE2-N 2.87Å |
| 68 | D | 90.9 | Very high | 90.3 | Very high | 56 Ų | 56 | 57.5 Ų | 57.5 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 160.1 | -171 | -154.2 | -7.3 | 0 | 0 | 0 | 111.7 | K3 V79 | K3-D68 IonicContact NZ-OD2 3.79Å; D68-V79 HydrophobicContact CB-CB 3.95Å; D68-V79 HydrophobicContact CB-CG2 3.98Å; D68-V79 PolarHBondContact N-O 3.19Å; D68-V79 PolarHBondContact O-N 2.95Å |
| 69 | V | 91.8 | Very high | 90.3 | Very high | 43 Ų | 43 | 57.3 Ų | 57.3 | 26% | 0.261 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 111.3 | 176.1 | 179.1 | 0 | 0 | 0 | 0 | 108.3 | I52 L66 L76 L78 | I52-V69 HydrophobicContact CD1-CG1 4.03Å; I52-V69 HydrophobicContact CD1-CG2 4.38Å; I52-V69 HydrophobicContact CG1-CG2 4.13Å; I52-V69 HydrophobicContact CG2-CG2 4.01Å; L66-V69 HydrophobicContact CD1-CG2 4.36Å; L66-V69 HydrophobicContact CD2-CG2 3.99Å; L66-V69 HydrophobicContact CG-CG2 4.43Å; V69-L76 HydrophobicContact CG1-CD1 3.61Å; V69-L78 HydrophobicContact CB-CD2 4.46Å; V69-L78 HydrophobicContact CG1-CD2 3.96Å; V69-L78 HydrophobicContact CG2-CD2 3.95Å |
| 70 | L | 90.1 | Very high | 90.3 | Very high | 54 Ų | 54 | 52.2 Ų | 52.2 | 28% | 0.283 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 124.3 | 179.1 | -50.5 | 176.3 | 0 | 0 | 0 | 109.6 | Y4 T77 V79 | Y4-L70 HydrophobicContact CD2-CD1 3.75Å; Y4-L70 HydrophobicContact CE2-CD1 3.76Å; L70-T77 PolarHBondContact N-O 2.85Å; L70-T77 PolarHBondContact O-N 2.83Å; L70-V79 HydrophobicContact CD1-CG2 4.05Å; L70-V79 HydrophobicContact CG-CG2 4.05Å |
| 71 | H | 85.5 | Confident | 90.2 | Very high | 128 Ų | 128 | 51.7 Ų | 51.7 | 59% | 0.593 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 131.5 | 172.9 | -174.9 | 54.3 | 0 | 0 | 0 | 109.9 | L76 | H71-L76 HydrophobicContact CB-CD1 4.35Å |
| 72 | S | 79.6 | Confident | 90.2 | Very high | 55 Ų | 55 | 49.1 Ų | 49.1 | 39% | 0.385 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 149.8 | 170.1 | 56.5 | 0 | 0 | 0 | 0 | 107.4 | K74 K75 | S72-K74 PolarHBondContact O-N 3.12Å; S72-K75 PolarHBondContact N-O 2.83Å; S72-K75 CarbonylContact O-C 3.51Å; S72-K75 PolarHBondContact O-N 3.48Å; S72-K75 PolarHBondContact OG-O 2.68Å |
| 73 | D | 73.3 | Confident | 90.1 | Very high | 160 Ų | 160 | 49.6 Ų | 49.6 | 86% | 0.856 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -15.8 | -68.1 | -168.8 | -52.9 | -18.3 | 0 | 0 | 0 | 115.9 | ||
| 74 | K | 75.3 | Confident | 89.9 | Confident | 138 Ų | 138 | 52.1 Ų | 52.1 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | 16.5 | -177.6 | -62.3 | -167 | 168.8 | -158.6 | 0 | 115.6 | L37 D39 S72 | L37-K74 VanDerWaalsContact CD1-C 3.5Å; D39-K74 IonicContact OD1-NZ 2.72Å; D39-K74 PolarHBondContact OD1-NZ 3.11Å; S72-K74 PolarHBondContact O-N 3.12Å |
| 75 | K | 79.6 | Confident | 89.8 | Confident | 92 Ų | 92 | 54.5 Ų | 54.5 | 40% | 0.4 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 117 | -171.2 | -65.4 | 166.3 | -176.1 | 170.5 | 0 | 111.4 | M1 R34 S72 | M1-K75 HydrophobicContact CE-CD 4.09Å; R34-K75 VanDerWaalsContact NH2-CE 3.27Å; S72-K75 PolarHBondContact N-O 2.83Å; S72-K75 CarbonylContact O-C 3.51Å; S72-K75 PolarHBondContact O-N 3.48Å; S72-K75 PolarHBondContact OG-O 2.68Å |
| 76 | L | 87.6 | Confident | 89.8 | Confident | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.042 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 127.7 | 164.8 | -177.5 | 68.7 | 0 | 0 | 0 | 109.4 | V35 L37 V44 A48 I52 V69 H71 L78 | V35-L76 HydrophobicContact CB-CB 4.2Å; V35-L76 HydrophobicContact CB-CD2 4.49Å; V35-L76 HydrophobicContact CG2-CD2 4.26Å; V35-L76 HydrophobicContact CG2-CG 4.47Å; V35-L76 PolarHBondContact N-O 2.84Å; L37-L76 HydrophobicContact CD2-CB 4.35Å; V44-L76 HydrophobicContact CG1-CD2 3.55Å; A48-L76 HydrophobicContact CB-CD2 4.18Å; I52-L76 HydrophobicContact CD1-CD2 4.02Å; V69-L76 HydrophobicContact CG1-CD1 3.61Å; H71-L76 HydrophobicContact CB-CD1 4.35Å; L76-L78 HydrophobicContact CD2-CD2 4.47Å; L76-L78 HydrophobicContact CG-CD2 4.34Å |
| 77 | T | 90.5 | Very high | 89.8 | Confident | 9 Ų | 9 | 50.6 Ų | 50.6 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 118.7 | 178.2 | -52.5 | 0 | 0 | 0 | 0 | 109.8 | L32 K33 R34 L70 | L32-T77 HydrophobicContact CB-CG2 3.94Å; L32-T77 HydrophobicContact CD2-CG2 4.2Å; K33-T77 WeakPolarHBondContact O-CA 3.47Å; R34-T77 HydrophobicContact CG-CG2 3.96Å; L70-T77 PolarHBondContact N-O 2.85Å; L70-T77 PolarHBondContact O-N 2.83Å |
| 78 | L | 91.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129.3 | 174.6 | -52 | -176.7 | 0 | 0 | 0 | 109 | L32 K33 V35 I52 L66 V69 L76 F80 | L32-L78 WeakPolarHBondContact CA-O 3.13Å; K33-L78 HydrophobicContact CB-CB 4.3Å; K33-L78 PolarHBondContact N-O 2.83Å; K33-L78 PolarHBondContact O-N 3.35Å; V35-L78 HydrophobicContact CG2-CG 4.45Å; I52-L78 HydrophobicContact CD1-CD2 3.6Å; I52-L78 HydrophobicContact CG1-CD1 4.36Å; I52-L78 HydrophobicContact CG1-CD2 3.51Å; L66-L78 HydrophobicContact CD1-CB 3.94Å; V69-L78 HydrophobicContact CB-CD2 4.46Å; V69-L78 HydrophobicContact CG1-CD2 3.96Å; V69-L78 HydrophobicContact CG2-CD2 3.95Å; L76-L78 HydrophobicContact CD2-CD2 4.47Å; L76-L78 HydrophobicContact CG-CD2 4.34Å; L78-F80 HydrophobicContact CB-CD2 3.95Å; L78-F80 HydrophobicContact CB-CE2 3.37Å; L78-F80 HydrophobicContact CB-CZ 4.18Å; L78-F80 HydrophobicContact CD1-CE2 3.92Å; L78-F80 HydrophobicContact CD1-CZ 4.12Å; L78-F80 HydrophobicContact CG-CE2 4.29Å |
| 79 | V | 94.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 112.2 | 179.8 | -172.2 | 0 | 0 | 0 | 0 | 108.8 | Y4 V30 L32 H67 D68 L70 | Y4-V79 HydrophobicContact CE1-CG1 3.9Å; Y4-V79 HydrophobicContact CE2-CG1 4.49Å; Y4-V79 HydrophobicContact CE2-CG2 3.95Å; V30-V79 HydrophobicContact CB-CG1 3.99Å; V30-V79 HydrophobicContact CG1-CG1 4.19Å; V30-V79 HydrophobicContact CG2-CG1 4.03Å; L32-V79 HydrophobicContact CD2-CB 4.24Å; L32-V79 HydrophobicContact CD2-CG1 4.01Å; L32-V79 HydrophobicContact CD2-CG2 3.77Å; H67-V79 HydrophobicContact CB-CG1 4.37Å; H67-V79 PolarHBondContact N-O 2.8Å; D68-V79 HydrophobicContact CB-CB 3.95Å; D68-V79 HydrophobicContact CB-CG2 3.98Å; D68-V79 PolarHBondContact N-O 3.19Å; D68-V79 PolarHBondContact O-N 2.95Å; L70-V79 HydrophobicContact CD1-CG2 4.05Å; L70-V79 HydrophobicContact CG-CG2 4.05Å |
| 80 | F | 95.3 | Very high | 89.9 | Confident | 15 Ų | 15 | 52.1 Ų | 52.1 | 7% | 0.066 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 159.3 | -178.6 | -71.8 | -87.5 | 0 | 0 | 0 | 111.9 | V30 A31 K33 L55 V64 R65 L66 H67 L78 | V30-F80 WeakPolarHBondContact CA-O 3.42Å; V30-F80 WeakPolarHBondContact CB-O 3.49Å; A31-F80 HydrophobicContact CB-CB 4.21Å; A31-F80 PolarHBondContact N-O 2.75Å; A31-F80 PolarHBondContact O-N 2.91Å; K33-F80 HydrophobicContact CB-CD2 4.2Å; K33-F80 HydrophobicContact CB-CE2 3.98Å; K33-F80 HydrophobicContact CD-CE2 4.11Å; L55-F80 HydrophobicContact CD1-CE1 3.48Å; L55-F80 VanDerWaalsContact CD1-CE1 3.48Å; L55-F80 HydrophobicContact CD1-CZ 3.74Å; V64-F80 HydrophobicContact CG1-CD1 4.02Å; V64-F80 HydrophobicContact CG1-CE1 4.02Å; V64-F80 HydrophobicContact CG2-CB 4.36Å; V64-F80 HydrophobicContact CG2-CD1 3.96Å; R65-F80 CarbonylContact O-C 3.46Å; R65-F80 VanDerWaalsContact O-CA 3.24Å; R65-F80 WeakPolarHBondContact O-CA 3.26Å; L66-F80 HydrophobicContact CB-CD1 4.32Å; L66-F80 HydrophobicContact CB-CE1 4.15Å; L66-F80 HydrophobicContact CD1-CD1 4.26Å; L66-F80 HydrophobicContact CD1-CD2 4.39Å; L66-F80 HydrophobicContact CD1-CE1 4.03Å; L66-F80 HydrophobicContact CD1-CE2 4.15Å; L66-F80 HydrophobicContact CD1-CG 4.46Å; L66-F80 HydrophobicContact CD1-CZ 3.96Å; H67-F80 VanDerWaalsContact CD2-C 3.44Å; L78-F80 HydrophobicContact CB-CD2 3.95Å; L78-F80 HydrophobicContact CB-CE2 3.37Å; L78-F80 HydrophobicContact CB-CZ 4.18Å; L78-F80 HydrophobicContact CD1-CE2 3.92Å; L78-F80 HydrophobicContact CD1-CZ 4.12Å; L78-F80 HydrophobicContact CG-CE2 4.29Å |
| 81 | E | 95.3 | Very high | 90 | Very high | 33 Ų | 33 | 49.7 Ų | 49.7 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 145 | 163.2 | 68.3 | 178.2 | 132.9 | 0 | 0 | 109.9 | V64 R65 H67 K141 | V64-E81 WeakPolarHBondContact CA-OE1 3.13Å; V64-E81 HydrophobicContact CG2-CG 3.73Å; R65-E81 HydrophobicContact CB-CB 4.2Å; R65-E81 HydrophobicContact CB-CG 4.04Å; R65-E81 WeakPolarHBondContact CB-OE1 3.06Å; R65-E81 PolarHBondContact N-OE1 2.92Å; R65-E81 PolarHBondContact O-N 3.2Å; H67-E81 PolarHBondContact CD2-N 2.9Å; H67-E81 VanDerWaalsContact CD2-N 3.26Å; H67-E81 VanDerWaalsContact NE2-CA 3.33Å; H67-E81 WeakPolarHBondContact NE2-CA 3.41Å; H67-E81 WeakPolarHBondContact NE2-CB 3.26Å; H67-E81 PolarHBondContact NE2-N 2.87Å; E81-K141 WeakPolarHBondContact OE1-CD 3.38Å; E81-K141 IonicContact OE1-NZ 2.95Å; E81-K141 PolarHBondContact OE1-NZ 3.17Å; E81-K141 WeakPolarHBondContact OE2-CE 3.49Å; E81-K141 IonicContact OE2-NZ 2.83Å; E81-K141 PolarHBondContact OE2-NZ 3.43Å |
| 82 | F | 96.1 | Very high | 90.1 | Very high | 40 Ų | 40 | 48.5 Ų | 48.5 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | trans | -86.1 | 132.3 | 177.5 | 179.3 | -100 | 0 | 0 | 0 | 110.9 | I10 K20 I29 A31 | I10-F82 HydrophobicContact CD1-CD2 4.39Å; I10-F82 HydrophobicContact CD1-CE2 4Å; K20-F82 HydrophobicContact CB-CD2 4.36Å; K20-F82 HydrophobicContact CB-CE2 4.01Å; K20-F82 HydrophobicContact CD-CD2 4.41Å; K20-F82 HydrophobicContact CD-CE2 3.75Å; K20-F82 HydrophobicContact CD-CZ 3.85Å; K20-F82 HydrophobicContact CG-CD2 3.88Å; K20-F82 HydrophobicContact CG-CE2 3.64Å; K20-F82 HydrophobicContact CG-CZ 4.22Å; I29-F82 HydrophobicContact CB-CB 4.5Å; I29-F82 HydrophobicContact CG2-CB 3.85Å; I29-F82 HydrophobicContact CG2-CD1 3.81Å; I29-F82 HydrophobicContact CG2-CD2 4.21Å; I29-F82 HydrophobicContact CG2-CE1 4.46Å; I29-F82 HydrophobicContact CG2-CG 3.67Å; I29-F82 WeakPolarHBondContact O-CB 3.43Å; A31-F82 HydrophobicContact CB-CD2 4.46Å | ||
| 83 | C | 95.8 | Very high | 90.6 | Very high | 12 Ų | 12 | 49.6 Ų | 49.6 | 8% | 0.081 | 25% | 0.245 | C | C | . | . | trans | -118.1 | 146.8 | 167.1 | -62.5 | 0 | 0 | 0 | 0 | 108.9 | L133 | C83-L133 HydrophobicContact CB-CB 3.61Å; C83-L133 HydrophobicContact CB-CD1 4.12Å; C83-L133 HydrophobicContact CB-CG 4.39Å | ||
| 84 | D | 94.3 | Very high | 91.2 | Very high | 55 Ų | 55 | 43.9 Ų | 43.9 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -72.4 | -37.7 | -170.3 | -64.8 | -89.7 | 0 | 0 | 0 | 113.1 | I134 N135 R136 | D84-I134 PolarHBondContact N-O 2.81Å; D84-I134 VanDerWaalsContact N-O 3.14Å; D84-N135 WeakPolarHBondContact OD2-CA 3.45Å; D84-R136 IonicContact OD1-CZ 3.39Å; D84-R136 IonicContact OD1-NE 3.79Å; D84-R136 PolarHBondContact OD1-NE 3.43Å; D84-R136 IonicContact OD1-NH2 2.89Å; D84-R136 WeakPolarHBondContact OD2-CG 3.42Å; D84-R136 PolarHBondContact OD2-N 2.88Å; D84-R136 IonicContact OD2-NE 2.84Å |
| 85 | Q | 94.3 | Very high | 91.5 | Very high | 56 Ų | 56 | 44.5 Ų | 44.5 | 26% | 0.262 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 164.4 | -178.4 | 58.2 | -172.5 | -39.1 | 0 | 0 | 111.9 | K89 Y90 I134 | Q85-K89 HydrophobicContact CB-CB 4.21Å; Q85-Y90 HydrophobicContact CG-CD2 4.42Å; Q85-I134 HydrophobicContact CG-CB 4.45Å; Q85-I134 PolarHBondContact N-O 3.35Å; Q85-I134 PolarHBondContact O-N 2.82Å |
| 86 | D | 95 | Very high | 91.4 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 14% | 0.139 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 162.1 | 166.2 | 59.2 | 71.7 | 0 | 0 | 0 | 110.7 | K88 K89 Y90 L132 L133 | D86-K88 PolarHBondContact O-N 3.11Å; D86-K88 WeakPolarHBondContact OD1-CA 2.96Å; D86-K88 VanDerWaalsContact OD1-CB 3.3Å; D86-K88 WeakPolarHBondContact OD1-CB 3.44Å; D86-K88 PolarHBondContact OD1-N 2.81Å; D86-K88 VanDerWaalsContact OD1-N 3.09Å; D86-K89 PolarHBondContact O-N 3.11Å; D86-K89 PolarHBondContact OD1-N 3.1Å; D86-K89 WeakPolarHBondContact OD2-CD 3.21Å; D86-K89 VanDerWaalsContact OD2-CE 3.3Å; D86-K89 WeakPolarHBondContact OD2-CE 3.09Å; D86-K89 IonicContact OD2-NZ 2.66Å; D86-Y90 PolarHBondContact O-N 3.05Å; D86-L132 CarbonylContact C-O 3.58Å; D86-L132 VanDerWaalsContact CA-O 3.28Å; D86-L132 WeakPolarHBondContact CA-O 3.42Å; D86-L133 HydrophobicContact CB-CD2 4.09Å |
| 87 | L | 95.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -27.8 | -178.4 | 178.9 | 65.7 | 0 | 0 | 0 | 111.8 | Y90 F91 F106 P129 L132 I134 I191 L195 | L87-Y90 HydrophobicContact CD1-CD1 4.42Å; L87-Y90 WeakPolarHBondContact O-CB 3.33Å; L87-Y90 PolarHBondContact O-N 2.84Å; L87-F91 HydrophobicContact CD1-CE1 4.03Å; L87-F91 HydrophobicContact CD1-CE2 4.34Å; L87-F91 HydrophobicContact CD1-CZ 3.91Å; L87-F91 HydrophobicContact CD2-CE2 4.14Å; L87-F91 HydrophobicContact CD2-CZ 3.96Å; L87-F91 HydrophobicContact CG-CD2 4.37Å; L87-F91 HydrophobicContact CG-CE1 4.37Å; L87-F91 HydrophobicContact CG-CE2 3.79Å; L87-F91 HydrophobicContact CG-CZ 3.78Å; L87-F91 VanDerWaalsContact O-CD2 3.27Å; L87-F91 WeakPolarHBondContact O-CD2 3.47Å; L87-F91 WeakPolarHBondContact O-CG 3.34Å; L87-F91 PolarHBondContact O-N 2.97Å; L87-F106 HydrophobicContact CD1-CD2 4.1Å; L87-F106 HydrophobicContact CD1-CE2 4.25Å; L87-P129 HydrophobicContact CB-CB 4.09Å; L87-P129 WeakPolarHBondContact CB-O 3.41Å; L87-P129 HydrophobicContact CD2-CB 4.18Å; L87-P129 HydrophobicContact CG-CB 4.15Å; L87-P129 PolarHBondContact N-O 2.76Å; L87-L132 HydrophobicContact CB-CB 3.95Å; L87-L132 HydrophobicContact CD2-CB 4.4Å; L87-L132 HydrophobicContact CD2-CD1 3.75Å; L87-L132 PolarHBondContact N-O 3.18Å; L87-I134 HydrophobicContact CB-CD1 4.05Å; L87-I134 HydrophobicContact CD1-CD1 3.69Å; L87-I134 HydrophobicContact CG-CD1 4.49Å; L87-I191 HydrophobicContact CD2-CG2 3.94Å; L87-L195 HydrophobicContact CD1-CD2 3.78Å; L87-L195 HydrophobicContact CD2-CD2 4.09Å |
| 88 | K | 93.1 | Very high | 91.2 | Very high | 66 Ų | 66 | 45.4 Ų | 45.4 | 29% | 0.287 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -66.8 | -47.8 | 176.1 | 179 | 56 | -172 | 133.8 | 0 | 111.1 | D86 Y90 F91 D92 P129 Q130 | D86-K88 PolarHBondContact O-N 3.11Å; D86-K88 WeakPolarHBondContact OD1-CA 2.96Å; D86-K88 VanDerWaalsContact OD1-CB 3.3Å; D86-K88 WeakPolarHBondContact OD1-CB 3.44Å; D86-K88 PolarHBondContact OD1-N 2.81Å; D86-K88 VanDerWaalsContact OD1-N 3.09Å; K88-Y90 VanDerWaalsContact C-N 3.28Å; K88-Y90 PolarHBondContact O-N 3.27Å; K88-F91 WeakPolarHBondContact O-CB 3.3Å; K88-F91 PolarHBondContact O-N 3.29Å; K88-D92 IonicContact NZ-OD1 2.86Å; K88-D92 PolarHBondContact NZ-OD1 2.92Å; K88-D92 IonicContact NZ-OD2 3.98Å; K88-D92 PolarHBondContact O-N 3.12Å; K88-P129 HydrophobicContact CB-CB 4.03Å; K88-Q130 HydrophobicContact CB-CG 4.09Å |
| 89 | K | 92.4 | Very high | 91.2 | Very high | 104 Ų | 104 | 49 Ų | 49 | 45% | 0.452 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.7 | -36.5 | 173.2 | -71 | 178.6 | -172.3 | 172.7 | 0 | 111.8 | Q85 D86 F91 D92 S93 | Q85-K89 HydrophobicContact CB-CB 4.21Å; D86-K89 PolarHBondContact O-N 3.11Å; D86-K89 PolarHBondContact OD1-N 3.1Å; D86-K89 WeakPolarHBondContact OD2-CD 3.21Å; D86-K89 VanDerWaalsContact OD2-CE 3.3Å; D86-K89 WeakPolarHBondContact OD2-CE 3.09Å; D86-K89 IonicContact OD2-NZ 2.66Å; K89-F91 PolarHBondContact O-N 3.1Å; K89-D92 PolarHBondContact O-N 3.25Å; K89-S93 PolarHBondContact O-N 3.06Å |
| 90 | Y | 93.3 | Very high | 91 | Very high | 44 Ų | 44 | 52.6 Ų | 52.6 | 17% | 0.173 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 175.6 | -170.1 | -86.2 | 0 | 0 | 0 | 111.4 | Q85 D86 L87 K88 D92 S93 C94 L98 T102 F106 I134 | Q85-Y90 HydrophobicContact CG-CD2 4.42Å; D86-Y90 PolarHBondContact O-N 3.05Å; L87-Y90 HydrophobicContact CD1-CD1 4.42Å; L87-Y90 WeakPolarHBondContact O-CB 3.33Å; L87-Y90 PolarHBondContact O-N 2.84Å; K88-Y90 VanDerWaalsContact C-N 3.28Å; K88-Y90 PolarHBondContact O-N 3.27Å; Y90-D92 VanDerWaalsContact C-N 3.32Å; Y90-D92 PolarHBondContact O-N 3.16Å; Y90-S93 PolarHBondContact O-N 3.37Å; Y90-S93 VanDerWaalsContact O-N 3.17Å; Y90-S93 PolarHBondContact O-OG 3.44Å; Y90-C94 VanDerWaalsContact CE1-SG 3.52Å; Y90-C94 PolarHBondContact O-N 3.39Å; Y90-L98 HydrophobicContact CD1-CD1 4.39Å; Y90-L98 HydrophobicContact CD1-CD2 4.29Å; Y90-L98 HydrophobicContact CD1-CG 4.49Å; Y90-L98 HydrophobicContact CE1-CD1 4.23Å; Y90-L98 HydrophobicContact CE1-CD2 3.95Å; Y90-L98 HydrophobicContact CE1-CG 3.95Å; Y90-T102 HydrophobicContact CE1-CG2 4.5Å; Y90-F106 HydrophobicContact CD1-CE2 4.04Å; Y90-F106 AromaticContact CE1-CE2 3.72Å; Y90-F106 HydrophobicContact CE1-CE2 3.72Å; Y90-F106 HydrophobicContact CE1-CZ 4.25Å; Y90-F106 HydrophobicContact CE2-CE2 4.46Å; Y90-F106 HydrophobicContact CE2-CZ 4.24Å; Y90-F106 AromaticContact CZ-CE2 3.96Å; Y90-I134 HydrophobicContact CD1-CD1 4.34Å; Y90-I134 HydrophobicContact CD2-CD1 3.81Å; Y90-I134 HydrophobicContact CD2-CG2 4.35Å; Y90-I134 HydrophobicContact CG-CD1 3.69Å |
| 91 | F | 91.8 | Very high | 90.9 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 1% | 0.013 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56 | -46.1 | 173.5 | -68.3 | -43.5 | 0 | 0 | 0 | 112.4 | L87 K88 K89 S93 C94 N95 G96 L98 P129 E194 L195 | L87-F91 HydrophobicContact CD1-CE1 4.03Å; L87-F91 HydrophobicContact CD1-CE2 4.34Å; L87-F91 HydrophobicContact CD1-CZ 3.91Å; L87-F91 HydrophobicContact CD2-CE2 4.14Å; L87-F91 HydrophobicContact CD2-CZ 3.96Å; L87-F91 HydrophobicContact CG-CD2 4.37Å; L87-F91 HydrophobicContact CG-CE1 4.37Å; L87-F91 HydrophobicContact CG-CE2 3.79Å; L87-F91 HydrophobicContact CG-CZ 3.78Å; L87-F91 VanDerWaalsContact O-CD2 3.27Å; L87-F91 WeakPolarHBondContact O-CD2 3.47Å; L87-F91 WeakPolarHBondContact O-CG 3.34Å; L87-F91 PolarHBondContact O-N 2.97Å; K88-F91 WeakPolarHBondContact O-CB 3.3Å; K88-F91 PolarHBondContact O-N 3.29Å; K89-F91 PolarHBondContact O-N 3.1Å; F91-S93 VanDerWaalsContact C-N 3.29Å; F91-S93 PolarHBondContact O-N 2.78Å; F91-C94 PolarHBondContact O-N 2.89Å; F91-N95 PolarHBondContact O-N 2.93Å; F91-G96 PolarHBondContact O-N 2.92Å; F91-L98 HydrophobicContact CD1-CD1 3.69Å; F91-L98 HydrophobicContact CE1-CD1 3.98Å; F91-L98 HydrophobicContact CE1-CD2 4.11Å; F91-P129 HydrophobicContact CE2-CB 4.17Å; F91-P129 HydrophobicContact CE2-CG 4.12Å; F91-E194 HydrophobicContact CE2-CB 4.19Å; F91-E194 HydrophobicContact CZ-CB 4.08Å; F91-L195 HydrophobicContact CE1-CD2 3.88Å; F91-L195 HydrophobicContact CZ-CD2 3.9Å; F91-L195 HydrophobicContact CZ-CG 4.25Å |
| 92 | D | 89.1 | Confident | 90.7 | Very high | 103 Ų | 103 | 56.5 Ų | 56.5 | 55% | 0.551 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.9 | -35.7 | -179.5 | -57.8 | -24.5 | 0 | 0 | 0 | 111.1 | K88 K89 Y90 N95 | K88-D92 IonicContact NZ-OD1 2.86Å; K88-D92 PolarHBondContact NZ-OD1 2.92Å; K88-D92 IonicContact NZ-OD2 3.98Å; K88-D92 PolarHBondContact O-N 3.12Å; K89-D92 PolarHBondContact O-N 3.25Å; Y90-D92 VanDerWaalsContact C-N 3.32Å; Y90-D92 PolarHBondContact O-N 3.16Å; D92-N95 PolarHBondContact O-N 3.45Å |
| 93 | S | 88.9 | Confident | 90.7 | Very high | 77 Ų | 77 | 54.7 Ų | 54.7 | 54% | 0.538 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -70.5 | -32.4 | 178.5 | 79 | 0 | 0 | 0 | 0 | 114.3 | K89 Y90 F91 N95 | K89-S93 PolarHBondContact O-N 3.06Å; Y90-S93 PolarHBondContact O-N 3.37Å; Y90-S93 VanDerWaalsContact O-N 3.17Å; Y90-S93 PolarHBondContact O-OG 3.44Å; F91-S93 VanDerWaalsContact C-N 3.29Å; F91-S93 PolarHBondContact O-N 2.78Å; S93-N95 VanDerWaalsContact C-N 3.34Å |
| 94 | C | 85.9 | Confident | 90.7 | Very high | 41 Ų | 41 | 54.8 Ų | 54.8 | 28% | 0.277 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 8.7 | 178.5 | -59.9 | 0 | 0 | 0 | 0 | 112.4 | Y90 F91 G96 D97 L98 | Y90-C94 VanDerWaalsContact CE1-SG 3.52Å; Y90-C94 PolarHBondContact O-N 3.39Å; F91-C94 PolarHBondContact O-N 2.89Å; C94-G96 PolarHBondContact O-N 3.09Å; C94-G96 VanDerWaalsContact O-N 3.14Å; C94-D97 PolarHBondContact O-N 3.3Å; C94-L98 HydrophobicContact CB-CD1 4.26Å |
| 95 | N | 82.7 | Confident | 90.8 | Very high | 151 Ų | 151 | 52.9 Ų | 52.9 | 81% | 0.807 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 32.7 | -171.9 | -163 | 43 | 0 | 0 | 0 | 112.9 | F91 D92 S93 D97 | F91-N95 PolarHBondContact O-N 2.93Å; D92-N95 PolarHBondContact O-N 3.45Å; S93-N95 VanDerWaalsContact C-N 3.34Å; N95-D97 PolarHBondContact O-N 2.84Å |
| 96 | G | 76.4 | Confident | 90.9 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | -4.7 | -173 | 0 | 0 | 0 | 0 | 0 | 114.8 | F91 C94 L98 A198 | F91-G96 PolarHBondContact O-N 2.92Å; C94-G96 PolarHBondContact O-N 3.09Å; C94-G96 VanDerWaalsContact O-N 3.14Å; G96-L98 PolarHBondContact O-N 2.89Å; G96-L98 VanDerWaalsContact O-N 3.11Å; G96-A198 WeakPolarHBondContact O-CA 3.43Å |
| 97 | D | 85.5 | Confident | 91 | Very high | 120 Ų | 120 | 49.1 Ų | 49.1 | 64% | 0.642 | 26% | 0.264 | S | S | * | . | trans | -91.7 | 83.6 | -172.5 | -157.4 | 19.9 | 0 | 0 | 0 | 112.4 | C94 N95 K250 | C94-D97 PolarHBondContact O-N 3.3Å; N95-D97 PolarHBondContact O-N 2.84Å; D97-K250 VanDerWaalsContact OD1-CE 3.3Å; D97-K250 WeakPolarHBondContact OD1-CE 3.44Å; D97-K250 IonicContact OD1-NZ 3.38Å; D97-K250 PolarHBondContact OD1-NZ 3.46Å | ||
| 98 | L | 89.5 | Confident | 91.1 | Very high | 4 Ų | 4 | 51.1 Ų | 51.1 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | trans | -86.6 | 137.2 | 172.9 | -77.3 | 71.4 | 0 | 0 | 0 | 111.3 | Y90 F91 C94 G96 T102 V103 F106 L195 K250 | Y90-L98 HydrophobicContact CD1-CD1 4.39Å; Y90-L98 HydrophobicContact CD1-CD2 4.29Å; Y90-L98 HydrophobicContact CD1-CG 4.49Å; Y90-L98 HydrophobicContact CE1-CD1 4.23Å; Y90-L98 HydrophobicContact CE1-CD2 3.95Å; Y90-L98 HydrophobicContact CE1-CG 3.95Å; F91-L98 HydrophobicContact CD1-CD1 3.69Å; F91-L98 HydrophobicContact CE1-CD1 3.98Å; F91-L98 HydrophobicContact CE1-CD2 4.11Å; C94-L98 HydrophobicContact CB-CD1 4.26Å; G96-L98 PolarHBondContact O-N 2.89Å; G96-L98 VanDerWaalsContact O-N 3.11Å; L98-T102 HydrophobicContact CD2-CG2 4.07Å; L98-T102 HydrophobicContact CG-CG2 4.45Å; L98-V103 HydrophobicContact CB-CG2 3.81Å; L98-V103 HydrophobicContact CD2-CG2 4.42Å; L98-F106 HydrophobicContact CD2-CD2 4.18Å; L98-F106 HydrophobicContact CD2-CE2 4.23Å; L98-L195 HydrophobicContact CD2-CD2 3.74Å; L98-K250 VanDerWaalsContact N-NZ 3.12Å; L98-K250 WeakPolarHBondContact O-CD 3.29Å; L98-K250 PolarHBondContact O-NZ 3.29Å | ||
| 99 | D | 90 | Very high | 91.4 | Very high | 76 Ų | 76 | 48.5 Ų | 48.5 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | trans | -70.8 | 155 | 171.2 | 71.5 | 89.5 | 0 | 0 | 0 | 111.3 | E101 T102 V103 | D99-E101 VanDerWaalsContact C-N 3.27Å; D99-E101 PolarHBondContact O-N 2.82Å; D99-E101 WeakPolarHBondContact OD1-CA 3.49Å; D99-E101 WeakPolarHBondContact OD1-CB 3.43Å; D99-E101 PolarHBondContact OD1-N 3.36Å; D99-T102 PolarHBondContact O-N 3.38Å; D99-T102 PolarHBondContact OD1-N 2.99Å; D99-T102 PolarHBondContact OD1-OG1 3.33Å; D99-T102 WeakPolarHBondContact OD2-CB 3.28Å; D99-T102 PolarHBondContact OD2-OG1 3.39Å; D99-V103 WeakPolarHBondContact O-CG2 3.5Å; D99-V103 PolarHBondContact O-N 2.9Å; D99-V103 VanDerWaalsContact O-N 3.08Å | ||
| 100 | P | 91.5 | Very high | 91.7 | Very high | 75 Ų | 75 | 43.6 Ų | 43.6 | 49% | 0.487 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.9 | -30.5 | -176.5 | -26.6 | 36.2 | 0 | 0 | 0 | 115.2 | V103 K104 | P100-V103 PolarHBondContact O-N 3.14Å; P100-K104 WeakPolarHBondContact O-CB 3.45Å; P100-K104 PolarHBondContact O-N 2.61Å |
| 101 | E | 92 | Very high | 92 | Very high | 98 Ų | 98 | 41.5 Ų | 41.5 | 46% | 0.458 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -74.8 | -39 | 179.9 | -70 | -58 | 134.5 | 0 | 0 | 111 | D99 V103 K104 S105 | D99-E101 VanDerWaalsContact C-N 3.27Å; D99-E101 PolarHBondContact O-N 2.82Å; D99-E101 WeakPolarHBondContact OD1-CA 3.49Å; D99-E101 WeakPolarHBondContact OD1-CB 3.43Å; D99-E101 PolarHBondContact OD1-N 3.36Å; E101-V103 VanDerWaalsContact C-N 3.35Å; E101-V103 PolarHBondContact O-N 3.14Å; E101-K104 PolarHBondContact O-N 3.23Å; E101-K104 IonicContact OE1-NZ 3.34Å; E101-K104 PolarHBondContact OE1-NZ 2.82Å; E101-S105 WeakPolarHBondContact O-CB 3.39Å; E101-S105 PolarHBondContact O-N 3.4Å |
| 102 | T | 93 | Very high | 92.3 | Very high | 31 Ų | 31 | 44.4 Ų | 44.4 | 19% | 0.19 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -42.8 | 170.6 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | Y90 L98 D99 K104 S105 F106 | Y90-T102 HydrophobicContact CE1-CG2 4.5Å; L98-T102 HydrophobicContact CD2-CG2 4.07Å; L98-T102 HydrophobicContact CG-CG2 4.45Å; D99-T102 PolarHBondContact O-N 3.38Å; D99-T102 PolarHBondContact OD1-N 2.99Å; D99-T102 PolarHBondContact OD1-OG1 3.33Å; D99-T102 WeakPolarHBondContact OD2-CB 3.28Å; D99-T102 PolarHBondContact OD2-OG1 3.39Å; T102-K104 PolarHBondContact O-N 3.07Å; T102-S105 PolarHBondContact O-N 2.98Å; T102-F106 HydrophobicContact CG2-CD2 3.83Å; T102-F106 HydrophobicContact CG2-CE1 4.39Å; T102-F106 HydrophobicContact CG2-CE2 3.49Å; T102-F106 VanDerWaalsContact CG2-CE2 3.49Å; T102-F106 HydrophobicContact CG2-CG 4.41Å; T102-F106 HydrophobicContact CG2-CZ 3.8Å; T102-F106 WeakPolarHBondContact O-CG 3.5Å; T102-F106 PolarHBondContact O-N 2.87Å |
| 103 | V | 94.6 | Very high | 92.7 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.9 | -47.5 | 174.8 | 171 | 0 | 0 | 0 | 0 | 110.8 | L98 D99 P100 E101 M107 F192 L195 L251 | L98-V103 HydrophobicContact CB-CG2 3.81Å; L98-V103 HydrophobicContact CD2-CG2 4.42Å; D99-V103 WeakPolarHBondContact O-CG2 3.5Å; D99-V103 PolarHBondContact O-N 2.9Å; D99-V103 VanDerWaalsContact O-N 3.08Å; P100-V103 PolarHBondContact O-N 3.14Å; E101-V103 VanDerWaalsContact C-N 3.35Å; E101-V103 PolarHBondContact O-N 3.14Å; V103-M107 WeakPolarHBondContact O-CB 3.46Å; V103-M107 PolarHBondContact O-N 3.3Å; V103-F192 HydrophobicContact CG1-CD2 4.21Å; V103-F192 HydrophobicContact CG1-CE2 3.83Å; V103-L195 HydrophobicContact CG1-CB 3.95Å; V103-L195 HydrophobicContact CG2-CB 4.19Å; V103-L195 WeakPolarHBondContact CG2-O 3.3Å; V103-L251 HydrophobicContact CG1-CD2 4.39Å |
| 104 | K | 95.6 | Very high | 93.2 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 7% | 0.065 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.7 | -45.7 | 177.9 | -167 | -173.9 | -71.2 | 173.6 | 0 | 111 | P100 E101 T102 M107 Y108 Y281 F282 D284 F285 | P100-K104 WeakPolarHBondContact O-CB 3.45Å; P100-K104 PolarHBondContact O-N 2.61Å; E101-K104 PolarHBondContact O-N 3.23Å; E101-K104 IonicContact OE1-NZ 3.34Å; E101-K104 PolarHBondContact OE1-NZ 2.82Å; T102-K104 PolarHBondContact O-N 3.07Å; K104-M107 PolarHBondContact O-N 2.94Å; K104-Y108 VanDerWaalsContact O-CB 3.31Å; K104-Y108 WeakPolarHBondContact O-CB 3.45Å; K104-Y108 PolarHBondContact O-N 2.67Å; K104-Y281 HydrophobicContact CB-CE1 4.25Å; K104-Y281 WeakPolarHBondContact CE-O 3.45Å; K104-Y281 HydrophobicContact CG-CD1 4.43Å; K104-Y281 HydrophobicContact CG-CE1 3.85Å; K104-F282 HydrophobicContact CG-CD1 3.8Å; K104-F282 HydrophobicContact CG-CE1 3.93Å; K104-D284 IonicContact NZ-OD1 3.02Å; K104-D284 PolarHBondContact NZ-OD1 2.75Å; K104-D284 IonicContact NZ-OD2 3.78Å; K104-D284 PolarHBondContact NZ-OD2 3.02Å; K104-D284 VanDerWaalsContact NZ-OD2 3.16Å; K104-F285 HydrophobicContact CB-CD2 4.49Å; K104-F285 HydrophobicContact CD-CB 3.92Å; K104-F285 HydrophobicContact CD-CD2 3.47Å; K104-F285 VanDerWaalsContact CD-CD2 3.47Å; K104-F285 HydrophobicContact CD-CE2 4.26Å; K104-F285 HydrophobicContact CD-CG 3.89Å; K104-F285 HydrophobicContact CG-CD2 3.91Å; K104-F285 HydrophobicContact CG-CE2 4.35Å; K104-F285 HydrophobicContact CG-CG 4.22Å |
| 105 | S | 96.3 | Very high | 93.8 | Very high | 14 Ų | 14 | 34.9 Ų | 34.9 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60 | -51.8 | 178 | -180 | 0 | 0 | 0 | 0 | 112.7 | E101 T102 M107 Y108 Q109 F285 | E101-S105 WeakPolarHBondContact O-CB 3.39Å; E101-S105 PolarHBondContact O-N 3.4Å; T102-S105 PolarHBondContact O-N 2.98Å; S105-M107 VanDerWaalsContact C-N 3.34Å; S105-M107 PolarHBondContact O-N 2.9Å; S105-Y108 PolarHBondContact O-N 2.66Å; S105-Q109 WeakPolarHBondContact O-CB 3.4Å; S105-Q109 VanDerWaalsContact O-CG 3.26Å; S105-Q109 WeakPolarHBondContact O-CG 3.25Å; S105-Q109 PolarHBondContact O-N 3.2Å; S105-Q109 PolarHBondContact OG-NE2 3.36Å; S105-F285 VanDerWaalsContact CA-CZ 3.42Å |
| 106 | F | 96.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | 179.3 | -71.8 | -13.7 | 0 | 0 | 0 | 112.1 | L87 Y90 L98 T102 Q109 L110 I134 L140 L195 | L87-F106 HydrophobicContact CD1-CD2 4.1Å; L87-F106 HydrophobicContact CD1-CE2 4.25Å; Y90-F106 HydrophobicContact CD1-CE2 4.04Å; Y90-F106 AromaticContact CE1-CE2 3.72Å; Y90-F106 HydrophobicContact CE1-CE2 3.72Å; Y90-F106 HydrophobicContact CE1-CZ 4.25Å; Y90-F106 HydrophobicContact CE2-CE2 4.46Å; Y90-F106 HydrophobicContact CE2-CZ 4.24Å; Y90-F106 AromaticContact CZ-CE2 3.96Å; L98-F106 HydrophobicContact CD2-CD2 4.18Å; L98-F106 HydrophobicContact CD2-CE2 4.23Å; T102-F106 HydrophobicContact CG2-CD2 3.83Å; T102-F106 HydrophobicContact CG2-CE1 4.39Å; T102-F106 HydrophobicContact CG2-CE2 3.49Å; T102-F106 VanDerWaalsContact CG2-CE2 3.49Å; T102-F106 HydrophobicContact CG2-CG 4.41Å; T102-F106 HydrophobicContact CG2-CZ 3.8Å; T102-F106 WeakPolarHBondContact O-CG 3.5Å; T102-F106 PolarHBondContact O-N 2.87Å; F106-Q109 PolarHBondContact O-N 3.47Å; F106-L110 VanDerWaalsContact O-CB 3.26Å; F106-L110 WeakPolarHBondContact O-CB 3.03Å; F106-L110 PolarHBondContact O-N 2.66Å; F106-I134 HydrophobicContact CD2-CD1 4.47Å; F106-I134 HydrophobicContact CE1-CD1 4.44Å; F106-I134 HydrophobicContact CE1-CG2 4.25Å; F106-I134 HydrophobicContact CE2-CD1 3.78Å; F106-I134 HydrophobicContact CZ-CD1 3.77Å; F106-I134 HydrophobicContact CZ-CG1 4.33Å; F106-I134 HydrophobicContact CZ-CG2 4.01Å; F106-L140 HydrophobicContact CB-CD1 3.71Å; F106-L140 HydrophobicContact CD1-CB 4.1Å; F106-L140 HydrophobicContact CD1-CD1 4.13Å; F106-L140 HydrophobicContact CG-CD1 3.93Å; F106-L195 HydrophobicContact CB-CD1 4.14Å; F106-L195 HydrophobicContact CB-CD2 4.23Å; F106-L195 HydrophobicContact CD2-CD2 3.89Å |
| 107 | M | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.1 | -43.8 | 175.7 | -169 | 63.5 | -151.4 | 0 | 0 | 111.8 | V103 K104 S105 L110 L111 A188 F192 L262 F282 | V103-M107 WeakPolarHBondContact O-CB 3.46Å; V103-M107 PolarHBondContact O-N 3.3Å; K104-M107 PolarHBondContact O-N 2.94Å; S105-M107 VanDerWaalsContact C-N 3.34Å; S105-M107 PolarHBondContact O-N 2.9Å; M107-L110 HydrophobicContact CE-CD2 4.37Å; M107-L110 PolarHBondContact O-N 3.13Å; M107-L110 HydrophobicContact SD-CD2 4.21Å; M107-L111 HydrophobicContact CE-CD1 3.83Å; M107-L111 HydrophobicContact CE-CD2 3.64Å; M107-L111 HydrophobicContact CE-CG 3.58Å; M107-L111 HydrophobicContact CG-CD1 4.23Å; M107-L111 VanDerWaalsContact O-CG 3.32Å; M107-L111 WeakPolarHBondContact O-CG 3.46Å; M107-L111 PolarHBondContact O-N 2.82Å; M107-A188 HydrophobicContact CE-CB 4.04Å; M107-F192 HydrophobicContact CB-CD2 4.07Å; M107-F192 HydrophobicContact CB-CE2 4.17Å; M107-F192 HydrophobicContact CE-CB 4.36Å; M107-F192 HydrophobicContact CG-CD2 3.81Å; M107-F192 HydrophobicContact CG-CE2 4.06Å; M107-F192 HydrophobicContact CG-CG 4.07Å; M107-F192 HydrophobicContact SD-CB 3.56Å; M107-F192 VanDerWaalsContact SD-CB 3.56Å; M107-F192 HydrophobicContact SD-CD1 4.4Å; M107-F192 HydrophobicContact SD-CD2 3.85Å; M107-F192 HydrophobicContact SD-CG 3.7Å; M107-L262 HydrophobicContact CE-CD1 3.73Å; M107-F282 HydrophobicContact CB-CE1 4.41Å; M107-F282 HydrophobicContact CB-CZ 4.19Å; M107-F282 HydrophobicContact CG-CZ 3.92Å |
| 108 | Y | 98.2 | Very high | 96 | Very high | 41 Ų | 41 | 24.1 Ų | 24.1 | 16% | 0.161 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 177.5 | -175.1 | -98.8 | 0 | 0 | 0 | 111.6 | K104 S105 L111 K112 L277 F282 F285 P287 | K104-Y108 VanDerWaalsContact O-CB 3.31Å; K104-Y108 WeakPolarHBondContact O-CB 3.45Å; K104-Y108 PolarHBondContact O-N 2.67Å; S105-Y108 PolarHBondContact O-N 2.66Å; Y108-L111 PolarHBondContact O-N 3.29Å; Y108-K112 HydrophobicContact CD1-CD 4.22Å; Y108-K112 HydrophobicContact CD1-CG 4.26Å; Y108-K112 HydrophobicContact CE1-CD 3.52Å; Y108-K112 HydrophobicContact CE1-CG 3.92Å; Y108-K112 WeakPolarHBondContact O-CG 3.43Å; Y108-K112 PolarHBondContact O-N 3.22Å; Y108-L277 HydrophobicContact CD2-CD2 3.67Å; Y108-L277 HydrophobicContact CE2-CD2 3.58Å; Y108-L277 HydrophobicContact CG-CD2 4.32Å; Y108-F282 HydrophobicContact CD2-CB 4.14Å; Y108-F282 AromaticContact CD2-CD1 3.73Å; Y108-F282 HydrophobicContact CD2-CD1 3.73Å; Y108-F282 HydrophobicContact CD2-CD2 4.26Å; Y108-F282 HydrophobicContact CD2-CE1 4.15Å; Y108-F282 AromaticContact CD2-CG 3.79Å; Y108-F282 HydrophobicContact CD2-CG 3.79Å; Y108-F282 HydrophobicContact CE2-CB 4.41Å; Y108-F282 HydrophobicContact CE2-CG 4.47Å; Y108-F282 HydrophobicContact CG-CD1 4.31Å; Y108-F282 HydrophobicContact CG-CE1 4.45Å; Y108-F285 HydrophobicContact CD1-CD1 4.07Å; Y108-F285 AromaticContact CD1-CE1 3.84Å; Y108-F285 HydrophobicContact CD1-CE1 3.84Å; Y108-F285 HydrophobicContact CD2-CD1 4.14Å; Y108-F285 AromaticContact CG-CD1 3.85Å; Y108-F285 HydrophobicContact CG-CD1 3.85Å; Y108-F285 AromaticContact CG-CE1 3.88Å; Y108-F285 HydrophobicContact CG-CE1 3.88Å; Y108-P287 HydrophobicContact CE1-CB 4.3Å; Y108-P287 HydrophobicContact CE1-CG 3.95Å |
| 109 | Q | 98.4 | Very high | 96.3 | Very high | 11 Ų | 11 | 27.9 Ų | 27.9 | 5% | 0.051 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64 | -40.4 | 178.9 | -72.3 | -172.9 | 74.9 | 0 | 0 | 112.8 | N62 S105 F106 K112 G113 G138 E139 L140 | N62-Q109 WeakPolarHBondContact CB-O 3.48Å; N62-Q109 WeakPolarHBondContact ND2-CB 3.43Å; N62-Q109 PolarHBondContact ND2-OE1 3.33Å; S105-Q109 WeakPolarHBondContact O-CB 3.4Å; S105-Q109 VanDerWaalsContact O-CG 3.26Å; S105-Q109 WeakPolarHBondContact O-CG 3.25Å; S105-Q109 PolarHBondContact O-N 3.2Å; S105-Q109 PolarHBondContact OG-NE2 3.36Å; F106-Q109 PolarHBondContact O-N 3.47Å; Q109-K112 PolarHBondContact O-N 3.03Å; Q109-G113 PolarHBondContact O-N 3.39Å; Q109-G138 PolarHBondContact NE2-O 3.36Å; Q109-E139 VanDerWaalsContact OE1-CA 3.27Å; Q109-L140 HydrophobicContact CB-CB 3.97Å |
| 110 | L | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.3 | -50.7 | 172.4 | 171.3 | 56.8 | 0 | 0 | 0 | 111 | F106 M107 K112 G113 L114 L127 L132 L140 L142 A188 I191 | F106-L110 VanDerWaalsContact O-CB 3.26Å; F106-L110 WeakPolarHBondContact O-CB 3.03Å; F106-L110 PolarHBondContact O-N 2.66Å; M107-L110 HydrophobicContact CE-CD2 4.37Å; M107-L110 PolarHBondContact O-N 3.13Å; M107-L110 HydrophobicContact SD-CD2 4.21Å; L110-K112 VanDerWaalsContact C-N 3.34Å; L110-K112 PolarHBondContact O-N 3.43Å; L110-G113 PolarHBondContact O-N 2.92Å; L110-L114 HydrophobicContact CD1-CD1 3.97Å; L110-L114 HydrophobicContact CD1-CG 4.18Å; L110-L114 HydrophobicContact CG-CD1 4.26Å; L110-L114 WeakPolarHBondContact O-CG 3.3Å; L110-L114 PolarHBondContact O-N 2.86Å; L110-L127 HydrophobicContact CD1-CD2 4.24Å; L110-L132 HydrophobicContact CD1-CD1 4.37Å; L110-L132 HydrophobicContact CD1-CD2 3.94Å; L110-L132 HydrophobicContact CD2-CD1 4.29Å; L110-L140 HydrophobicContact CB-CD2 4.14Å; L110-L142 HydrophobicContact CD1-CD2 3.44Å; L110-L142 VanDerWaalsContact CD1-CD2 3.44Å; L110-A188 HydrophobicContact CD2-CB 4.03Å; L110-I191 HydrophobicContact CD2-CB 4.46Å; L110-I191 HydrophobicContact CD2-CG2 4.11Å |
| 111 | L | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.9 | -38.3 | 179.1 | -69.3 | 170.5 | 0 | 0 | 0 | 112.3 | M107 Y108 L114 A115 M185 A276 L277 F282 | M107-L111 HydrophobicContact CE-CD1 3.83Å; M107-L111 HydrophobicContact CE-CD2 3.64Å; M107-L111 HydrophobicContact CE-CG 3.58Å; M107-L111 HydrophobicContact CG-CD1 4.23Å; M107-L111 VanDerWaalsContact O-CG 3.32Å; M107-L111 WeakPolarHBondContact O-CG 3.46Å; M107-L111 PolarHBondContact O-N 2.82Å; Y108-L111 PolarHBondContact O-N 3.29Å; L111-L114 PolarHBondContact O-N 2.97Å; L111-A115 WeakPolarHBondContact O-CB 3.14Å; L111-A115 PolarHBondContact O-N 3.11Å; L111-M185 HydrophobicContact CD2-CE 3.72Å; L111-A276 HydrophobicContact CD1-CB 3.83Å; L111-A276 HydrophobicContact CD2-CB 3.94Å; L111-A276 HydrophobicContact CG-CB 4.49Å; L111-L277 HydrophobicContact CB-CD2 3.7Å; L111-L277 HydrophobicContact CB-CG 3.88Å; L111-F282 HydrophobicContact CD1-CE2 3.53Å; L111-F282 HydrophobicContact CD1-CZ 3.74Å |
| 112 | K | 98.3 | Very high | 96.5 | Very high | 64 Ų | 64 | 25.5 Ų | 25.5 | 28% | 0.278 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 174 | -73.7 | -152.3 | 73.9 | 165.4 | 0 | 112.5 | Y108 Q109 L110 L114 F116 L277 | Y108-K112 HydrophobicContact CD1-CD 4.22Å; Y108-K112 HydrophobicContact CD1-CG 4.26Å; Y108-K112 HydrophobicContact CE1-CD 3.52Å; Y108-K112 HydrophobicContact CE1-CG 3.92Å; Y108-K112 WeakPolarHBondContact O-CG 3.43Å; Y108-K112 PolarHBondContact O-N 3.22Å; Q109-K112 PolarHBondContact O-N 3.03Å; L110-K112 VanDerWaalsContact C-N 3.34Å; L110-K112 PolarHBondContact O-N 3.43Å; K112-L114 VanDerWaalsContact C-N 3.34Å; K112-F116 WeakPolarHBondContact O-CB 3.28Å; K112-F116 PolarHBondContact O-N 2.91Å; K112-F116 VanDerWaalsContact O-N 3.16Å; K112-L277 HydrophobicContact CG-CD1 4.11Å; K112-L277 HydrophobicContact CG-CD2 3.68Å |
| 113 | G | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.2 | -45.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q109 L110 F116 C117 L142 | Q109-G113 PolarHBondContact O-N 3.39Å; L110-G113 PolarHBondContact O-N 2.92Å; G113-F116 PolarHBondContact O-N 3.25Å; G113-C117 PolarHBondContact O-N 3.4Å; G113-C117 PolarHBondContact O-SG 3.07Å; G113-C117 VanDerWaalsContact O-SG 3.39Å; G113-L142 VanDerWaalsContact C-CD1 3.48Å |
| 114 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -68.3 | -43.9 | -179.8 | -68.9 | 176.8 | 0 | 0 | 0 | 113.2 | L110 L111 K112 F116 C117 H118 L127 L142 D184 A188 A273 | L110-L114 HydrophobicContact CD1-CD1 3.97Å; L110-L114 HydrophobicContact CD1-CG 4.18Å; L110-L114 HydrophobicContact CG-CD1 4.26Å; L110-L114 WeakPolarHBondContact O-CG 3.3Å; L110-L114 PolarHBondContact O-N 2.86Å; L111-L114 PolarHBondContact O-N 2.97Å; K112-L114 VanDerWaalsContact C-N 3.34Å; L114-F116 PolarHBondContact O-N 3.37Å; L114-C117 WeakPolarHBondContact O-CB 3.42Å; L114-C117 PolarHBondContact O-N 3.12Å; L114-C117 VanDerWaalsContact O-N 3.1Å; L114-H118 WeakPolarHBondContact O-CB 3.25Å; L114-H118 PolarHBondContact O-CD2 2.72Å; L114-H118 PolarHBondContact O-N 3.45Å; L114-L127 HydrophobicContact CD1-CD1 3.7Å; L114-L127 HydrophobicContact CD2-CD1 3.77Å; L114-L127 HydrophobicContact CD2-CD2 4.29Å; L114-L127 HydrophobicContact CD2-CG 4.45Å; L114-L127 HydrophobicContact CG-CD1 4.32Å; L114-L142 HydrophobicContact CD2-CD1 3.82Å; L114-L142 HydrophobicContact CG-CD1 4.18Å; L114-D184 HydrophobicContact CD1-CB 4.48Å; L114-D184 HydrophobicContact CD2-CB 4.16Å; L114-A188 HydrophobicContact CD1-CB 3.97Å; L114-A273 HydrophobicContact CB-CB 4.13Å |
| 115 | A | 98.4 | Very high | 96.2 | Very high | 22 Ų | 22 | 23.6 Ų | 23.6 | 18% | 0.182 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -56.6 | -39.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L111 S119 A273 L277 | L111-A115 WeakPolarHBondContact O-CB 3.14Å; L111-A115 PolarHBondContact O-N 3.11Å; A115-S119 WeakPolarHBondContact O-CB 3.29Å; A115-S119 PolarHBondContact O-N 3.18Å; A115-S119 PolarHBondContact O-OG 2.84Å; A115-A273 HydrophobicContact CB-CB 3.84Å; A115-L277 HydrophobicContact CB-CD1 3.9Å |
| 116 | F | 98.3 | Very high | 95.9 | Very high | 28 Ų | 28 | 23.4 Ų | 23.4 | 12% | 0.123 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.2 | -42.1 | 175.4 | -175.3 | -85.7 | 0 | 0 | 0 | 113.2 | L58 K59 H60 I63 K112 G113 L114 S119 R120 | L58-F116 HydrophobicContact CB-CE1 4.43Å; L58-F116 HydrophobicContact CD2-CD1 4.17Å; L58-F116 HydrophobicContact CD2-CE1 3.98Å; K59-F116 WeakPolarHBondContact O-CZ 3.28Å; H60-F116 HydrophobicContact CB-CB 4.33Å; H60-F116 HydrophobicContact CB-CD1 3.65Å; H60-F116 HydrophobicContact CB-CD2 3.84Å; H60-F116 HydrophobicContact CB-CE1 3.73Å; H60-F116 HydrophobicContact CB-CE2 3.89Å; H60-F116 HydrophobicContact CB-CG 3.68Å; H60-F116 HydrophobicContact CB-CZ 3.83Å; H60-F116 AromaticContact CD2-CD2 3.47Å; H60-F116 VanDerWaalsContact CD2-CD2 3.47Å; H60-F116 WeakPolarHBondContact CD2-CD2 3.07Å; H60-F116 AromaticContact CD2-CE2 4Å; H60-F116 AromaticContact CD2-CG 3.81Å; H60-F116 AromaticContact CG-CD2 3.84Å; H60-F116 AromaticContact CG-CG 3.76Å; I63-F116 HydrophobicContact CD1-CD1 3.52Å; I63-F116 HydrophobicContact CD1-CE1 4.07Å; I63-F116 HydrophobicContact CD1-CG 4.41Å; K112-F116 WeakPolarHBondContact O-CB 3.28Å; K112-F116 PolarHBondContact O-N 2.91Å; K112-F116 VanDerWaalsContact O-N 3.16Å; G113-F116 PolarHBondContact O-N 3.25Å; L114-F116 PolarHBondContact O-N 3.37Å; F116-S119 WeakPolarHBondContact CA-OG 3.34Å; F116-S119 PolarHBondContact O-OG 3.32Å; F116-R120 VanDerWaalsContact CE2-NH2 3.3Å; F116-R120 VanDerWaalsContact CZ-NE 3.34Å; F116-R120 VanDerWaalsContact CZ-NH2 3.32Å; F116-R120 PolarHBondContact O-N 3.42Å |
| 117 | C | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.5 | -48.2 | 173.4 | -70.4 | 0 | 0 | 0 | 0 | 111.4 | I63 G113 L114 S119 R120 N121 V122 | I63-C117 WeakPolarHBondContact CD1-SG 3.33Å; G113-C117 PolarHBondContact O-N 3.4Å; G113-C117 PolarHBondContact O-SG 3.07Å; G113-C117 VanDerWaalsContact O-SG 3.39Å; L114-C117 WeakPolarHBondContact O-CB 3.42Å; L114-C117 PolarHBondContact O-N 3.12Å; L114-C117 VanDerWaalsContact O-N 3.1Å; C117-S119 PolarHBondContact O-N 3.12Å; C117-R120 CarbonylContact O-C 3.43Å; C117-R120 PolarHBondContact O-N 3.35Å; C117-N121 PolarHBondContact O-N 2.78Å; C117-V122 CarbonylContact C-O 3.54Å; C117-V122 HydrophobicContact CB-CB 4.37Å; C117-V122 PolarHBondContact O-N 2.88Å |
| 118 | H | 96.7 | Very high | 95.7 | Very high | 21 Ų | 21 | 25 Ų | 25 | 10% | 0.097 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.2 | -40.1 | -175.5 | -67.5 | 176.6 | 0 | 0 | 0 | 112 | L114 R120 N121 V122 T181 D184 | L114-H118 WeakPolarHBondContact O-CB 3.25Å; L114-H118 PolarHBondContact O-CD2 2.72Å; L114-H118 PolarHBondContact O-N 3.45Å; H118-R120 PolarHBondContact O-N 3.27Å; H118-N121 PolarHBondContact O-N 3.14Å; H118-V122 PolarHBondContact CD2-O 2.87Å; H118-T181 HydrophobicContact CB-CG2 3.68Å; H118-T181 VanDerWaalsContact CG-CG2 3.4Å; H118-T181 WeakPolarHBondContact ND1-CB 3.44Å; H118-D184 IonicContact CD2-OD2 2.78Å; H118-D184 IonicContact CE1-OD2 3.73Å; H118-D184 IonicContact NE2-OD2 3.19Å; H118-D184 PolarHBondContact NE2-OD2 2.81Å |
| 119 | S | 96.3 | Very high | 95.6 | Very high | 83 Ų | 83 | 23 Ų | 23 | 58% | 0.58 | 12% | 0.117 | S | C | * | . | H | α-helix | trans | -66.9 | -18.1 | 173.7 | 58 | 0 | 0 | 0 | 0 | 114.2 | A115 F116 C117 | A115-S119 WeakPolarHBondContact O-CB 3.29Å; A115-S119 PolarHBondContact O-N 3.18Å; A115-S119 PolarHBondContact O-OG 2.84Å; F116-S119 WeakPolarHBondContact CA-OG 3.34Å; F116-S119 PolarHBondContact O-OG 3.32Å; C117-S119 PolarHBondContact O-N 3.12Å |
| 120 | R | 94.3 | Very high | 95.4 | Very high | 113 Ų | 113 | 26.3 Ų | 26.3 | 43% | 0.426 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 16.3 | 172.1 | -78.4 | 174.3 | 177.9 | 63.8 | 3.8 | 113.3 | L58 F116 C117 H118 V122 | L58-R120 HydrophobicContact CD2-CB 4.16Å; F116-R120 VanDerWaalsContact CE2-NH2 3.3Å; F116-R120 VanDerWaalsContact CZ-NE 3.34Å; F116-R120 VanDerWaalsContact CZ-NH2 3.32Å; F116-R120 PolarHBondContact O-N 3.42Å; C117-R120 CarbonylContact O-C 3.43Å; C117-R120 PolarHBondContact O-N 3.35Å; H118-R120 PolarHBondContact O-N 3.27Å; R120-V122 VanDerWaalsContact C-N 3.26Å; R120-V122 HydrophobicContact CB-CG2 4.43Å; R120-V122 PolarHBondContact O-N 3.23Å |
| 121 | N | 91.6 | Very high | 95.2 | Very high | 80 Ų | 80 | 26.8 Ų | 26.8 | 43% | 0.428 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 36.8 | -177.5 | -56.7 | 102.1 | 0 | 0 | 0 | 113.8 | C117 H118 A150 F151 | C117-N121 PolarHBondContact O-N 2.78Å; H118-N121 PolarHBondContact O-N 3.14Å; N121-A150 CarbonylContact O-C 3.54Å; N121-A150 WeakPolarHBondContact O-CA 3.28Å; N121-F151 HydrophobicContact CB-CD1 4.07Å; N121-F151 HydrophobicContact CB-CD2 4.34Å; N121-F151 HydrophobicContact CB-CE1 4.02Å; N121-F151 HydrophobicContact CB-CE2 4.23Å; N121-F151 HydrophobicContact CB-CG 4.26Å; N121-F151 HydrophobicContact CB-CZ 4.08Å; N121-F151 WeakPolarHBondContact CB-O 3.45Å; N121-F151 VanDerWaalsContact ND2-CE2 3.26Å; N121-F151 WeakPolarHBondContact ND2-CE2 3.29Å; N121-F151 WeakPolarHBondContact O-CD1 3.48Å; N121-F151 PolarHBondContact O-N 2.95Å |
| 122 | V | 91.7 | Very high | 95.1 | Very high | 6 Ų | 6 | 26.9 Ų | 26.9 | 4% | 0.036 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 128.1 | 176.4 | -177.3 | 0 | 0 | 0 | 0 | 110.8 | L54 L58 C117 H118 R120 A148 | L54-V122 HydrophobicContact CD1-CG1 4.37Å; L54-V122 HydrophobicContact CD2-CG1 4.26Å; L54-V122 HydrophobicContact CD2-CG2 3.9Å; L58-V122 HydrophobicContact CD1-CB 4.49Å; L58-V122 HydrophobicContact CD1-CG1 4.15Å; L58-V122 HydrophobicContact CD1-CG2 4.37Å; L58-V122 HydrophobicContact CD2-CG2 4.14Å; C117-V122 CarbonylContact C-O 3.54Å; C117-V122 HydrophobicContact CB-CB 4.37Å; C117-V122 PolarHBondContact O-N 2.88Å; H118-V122 PolarHBondContact CD2-O 2.87Å; R120-V122 VanDerWaalsContact C-N 3.26Å; R120-V122 HydrophobicContact CB-CG2 4.43Å; R120-V122 PolarHBondContact O-N 3.23Å; V122-A148 HydrophobicContact CG1-CB 4.24Å |
| 123 | L | 92.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 135 | 167.9 | -54.1 | -178.7 | 0 | 0 | 0 | 109.8 | R125 A148 R149 F151 T181 | L123-R125 HydrophobicContact CB-CG 3.66Å; L123-A148 CarbonylContact O-C 3.43Å; L123-A148 WeakPolarHBondContact O-CA 3.06Å; L123-A148 VanDerWaalsContact O-CB 3.26Å; L123-A148 WeakPolarHBondContact O-CB 3.47Å; L123-R149 PolarHBondContact N-O 3.25Å; L123-R149 PolarHBondContact O-N 3.05Å; L123-F151 HydrophobicContact CD1-CD1 4.46Å; L123-F151 HydrophobicContact CD2-CD1 3.66Å; L123-F151 HydrophobicContact CD2-CE1 3.74Å; L123-F151 HydrophobicContact CG-CB 4.5Å; L123-F151 HydrophobicContact CG-CD1 3.67Å; L123-F151 HydrophobicContact CG-CE1 4.26Å; L123-F151 HydrophobicContact CG-CG 4.41Å; L123-T181 HydrophobicContact CD2-CG2 3.9Å |
| 124 | H | 93.2 | Very high | 95 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -78.6 | -49.4 | 178.2 | -171.3 | -47.7 | 0 | 0 | 0 | 112.1 | D126 L127 A143 D144 A148 D184 | H124-D126 PolarHBondContact ND1-N 3.41Å; H124-D126 PolarHBondContact O-N 3.31Å; H124-D126 VanDerWaalsContact O-N 3.14Å; H124-L127 HydrophobicContact CB-CG 4.29Å; H124-A143 PolarHBondContact CE1-O 3.41Å; H124-A143 PolarHBondContact NE2-O 2.93Å; H124-D144 PolarHBondContact CE1-O 3.28Å; H124-A148 WeakPolarHBondContact O-CA 3.44Å; H124-D184 PolarHBondContact N-OD1 2.93Å; H124-D184 PolarHBondContact N-OD2 3.22Å | ||
| 125 | R | 90.8 | Very high | 94.7 | Very high | 7 Ų | 7 | 26.9 Ų | 26.9 | 3% | 0.026 | 14% | 0.138 | C | C | . | . | trans | 61.9 | 13.1 | 174.2 | -46.3 | -172.2 | -62.8 | 161 | 4.7 | 117.1 | L123 L147 V162 V163 I183 D184 | L123-R125 HydrophobicContact CB-CG 3.66Å; R125-L147 PolarHBondContact NE-O 3.29Å; R125-L147 PolarHBondContact NH2-O 3.49Å; R125-V162 HydrophobicContact CB-CB 4.47Å; R125-V163 VanDerWaalsContact O-CA 3.28Å; R125-V163 WeakPolarHBondContact O-CA 3.48Å; R125-V163 WeakPolarHBondContact O-CG2 3.46Å; R125-V163 PolarHBondContact O-N 3.22Å; R125-V163 VanDerWaalsContact O-N 3.07Å; R125-I183 HydrophobicContact CG-CG2 4.44Å; R125-D184 PolarHBondContact N-OD1 2.97Å | ||
| 126 | D | 90.4 | Very high | 94.4 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 5% | 0.053 | 17% | 0.166 | C | C | . | . | trans | -151 | 44.4 | 171.1 | -163.6 | 36.1 | 0 | 0 | 0 | 111 | H124 K128 N131 L147 T164 | H124-D126 PolarHBondContact ND1-N 3.41Å; H124-D126 PolarHBondContact O-N 3.31Å; H124-D126 VanDerWaalsContact O-N 3.14Å; D126-K128 PolarHBondContact O-N 3.06Å; D126-K128 IonicContact OD1-NZ 3.4Å; D126-K128 PolarHBondContact OD1-NZ 3.37Å; D126-K128 IonicContact OD2-NZ 3.93Å; D126-K128 PolarHBondContact OD2-NZ 3.4Å; D126-N131 PolarHBondContact O-ND2 3.02Å; D126-N131 PolarHBondContact OD2-ND2 3.24Å; D126-L147 HydrophobicContact CB-CB 4.3Å; D126-L147 HydrophobicContact CB-CD1 3.99Å; D126-T164 PolarHBondContact OD1-N 2.79Å; D126-T164 PolarHBondContact OD1-OG1 2.88Å; D126-T164 VanDerWaalsContact OD1-OG1 3.06Å | ||
| 127 | L | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -70.3 | 123.9 | 173.6 | -75.6 | 175.4 | 0 | 0 | 0 | 110.1 | L110 L114 H124 L132 L142 Y167 D184 I191 | L110-L127 HydrophobicContact CD1-CD2 4.24Å; L114-L127 HydrophobicContact CD1-CD1 3.7Å; L114-L127 HydrophobicContact CD2-CD1 3.77Å; L114-L127 HydrophobicContact CD2-CD2 4.29Å; L114-L127 HydrophobicContact CD2-CG 4.45Å; L114-L127 HydrophobicContact CG-CD1 4.32Å; H124-L127 HydrophobicContact CB-CG 4.29Å; L127-L132 HydrophobicContact CD2-CD2 4.19Å; L127-L142 HydrophobicContact CD2-CD2 3.67Å; L127-Y167 WeakPolarHBondContact O-CB 3.26Å; L127-D184 HydrophobicContact CD1-CB 3.82Å; L127-D184 WeakPolarHBondContact CD1-O 3.33Å; L127-I191 HydrophobicContact CB-CD1 4.06Å | ||
| 128 | K | 94.7 | Very high | 93.8 | Very high | 36 Ų | 36 | 41.7 Ų | 41.7 | 16% | 0.157 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -161.7 | 159.1 | 174.9 | 61.6 | -166.9 | -176.3 | -144.9 | 0 | 108.7 | D126 Q130 N131 T164 Y167 | D126-K128 PolarHBondContact O-N 3.06Å; D126-K128 IonicContact OD1-NZ 3.4Å; D126-K128 PolarHBondContact OD1-NZ 3.37Å; D126-K128 IonicContact OD2-NZ 3.93Å; D126-K128 PolarHBondContact OD2-NZ 3.4Å; K128-Q130 HydrophobicContact CG-CB 4.33Å; K128-Q130 VanDerWaalsContact CG-OE1 3.3Å; K128-Q130 PolarHBondContact O-N 3.34Å; K128-Q130 VanDerWaalsContact O-N 3.09Å; K128-N131 WeakPolarHBondContact CE-ND2 3.43Å; K128-N131 HydrophobicContact CG-CB 4.16Å; K128-N131 PolarHBondContact O-N 2.98Å; K128-T164 WeakPolarHBondContact CD-OG1 3.35Å; K128-T164 PolarHBondContact NZ-OG1 2.99Å; K128-Y167 HydrophobicContact CB-CD2 3.84Å; K128-Y167 HydrophobicContact CB-CE1 4.47Å; K128-Y167 HydrophobicContact CB-CE2 3.64Å; K128-Y167 HydrophobicContact CB-CG 4.37Å |
| 129 | P | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -53.2 | -32.8 | -178.7 | -29.1 | 36.5 | 0 | 0 | 0 | 114.6 | L87 K88 F91 N131 L132 Y167 E194 | L87-P129 HydrophobicContact CB-CB 4.09Å; L87-P129 WeakPolarHBondContact CB-O 3.41Å; L87-P129 HydrophobicContact CD2-CB 4.18Å; L87-P129 HydrophobicContact CG-CB 4.15Å; L87-P129 PolarHBondContact N-O 2.76Å; K88-P129 HydrophobicContact CB-CB 4.03Å; F91-P129 HydrophobicContact CE2-CB 4.17Å; F91-P129 HydrophobicContact CE2-CG 4.12Å; P129-N131 PolarHBondContact O-N 2.75Å; P129-L132 PolarHBondContact O-N 2.97Å; P129-Y167 WeakPolarHBondContact CD-OH 3.34Å; P129-Y167 HydrophobicContact CG-CE1 4.44Å; P129-Y167 WeakPolarHBondContact CG-OH 3.43Å; P129-E194 WeakPolarHBondContact CG-OE2 3.4Å |
| 130 | Q | 93.3 | Very high | 93.9 | Very high | 80 Ų | 80 | 40.1 Ų | 40.1 | 37% | 0.374 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -67.3 | -22.4 | 177.8 | -59.8 | 81.1 | 4.5 | 0 | 0 | 113.5 | K88 K128 | K88-Q130 HydrophobicContact CB-CG 4.09Å; K128-Q130 HydrophobicContact CG-CB 4.33Å; K128-Q130 VanDerWaalsContact CG-OE1 3.3Å; K128-Q130 PolarHBondContact O-N 3.34Å; K128-Q130 VanDerWaalsContact O-N 3.09Å |
| 131 | N | 95 | Very high | 94.1 | Very high | 12 Ų | 12 | 35.3 Ų | 35.3 | 6% | 0.064 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -99.8 | 6.8 | 179.8 | -69 | -2.7 | 0 | 0 | 0 | 112.2 | D126 K128 P129 A143 | D126-N131 PolarHBondContact O-ND2 3.02Å; D126-N131 PolarHBondContact OD2-ND2 3.24Å; K128-N131 WeakPolarHBondContact CE-ND2 3.43Å; K128-N131 HydrophobicContact CG-CB 4.16Å; K128-N131 PolarHBondContact O-N 2.98Å; P129-N131 PolarHBondContact O-N 2.75Å; N131-A143 PolarHBondContact O-N 2.98Å |
| 132 | L | 97.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 109.9 | 173.2 | -60.2 | -174.5 | 0 | 0 | 0 | 108.4 | D86 L87 L110 L127 P129 L140 L142 I191 | D86-L132 CarbonylContact C-O 3.58Å; D86-L132 VanDerWaalsContact CA-O 3.28Å; D86-L132 WeakPolarHBondContact CA-O 3.42Å; L87-L132 HydrophobicContact CB-CB 3.95Å; L87-L132 HydrophobicContact CD2-CB 4.4Å; L87-L132 HydrophobicContact CD2-CD1 3.75Å; L87-L132 PolarHBondContact N-O 3.18Å; L110-L132 HydrophobicContact CD1-CD1 4.37Å; L110-L132 HydrophobicContact CD1-CD2 3.94Å; L110-L132 HydrophobicContact CD2-CD1 4.29Å; L127-L132 HydrophobicContact CD2-CD2 4.19Å; P129-L132 PolarHBondContact O-N 2.97Å; L132-L140 HydrophobicContact CB-CD1 4.49Å; L132-L140 HydrophobicContact CB-CG 4.5Å; L132-L140 HydrophobicContact CD1-CD1 4.39Å; L132-L140 HydrophobicContact CD2-CD2 4.23Å; L132-L142 HydrophobicContact CD2-CD2 3.38Å; L132-I191 HydrophobicContact CD1-CD1 3.97Å; L132-I191 HydrophobicContact CD1-CG2 3.87Å |
| 133 | L | 97 | Very high | 94.4 | Very high | 40 Ų | 40 | 31.6 Ų | 31.6 | 21% | 0.209 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 145.3 | -178.9 | -56.6 | -178.2 | 0 | 0 | 0 | 110.6 | V64 C83 D86 L140 K141 A143 | V64-L133 HydrophobicContact CG2-CD1 4.14Å; C83-L133 HydrophobicContact CB-CB 3.61Å; C83-L133 HydrophobicContact CB-CD1 4.12Å; C83-L133 HydrophobicContact CB-CG 4.39Å; D86-L133 HydrophobicContact CB-CD2 4.09Å; L133-L140 CarbonylContact O-C 3.51Å; L133-L140 WeakPolarHBondContact O-CA 3.35Å; L133-K141 PolarHBondContact N-O 3.47Å; L133-K141 PolarHBondContact O-N 3.05Å; L133-A143 HydrophobicContact CD1-CB 3.58Å; L133-A143 HydrophobicContact CG-CB 3.66Å |
| 134 | I | 96.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.8 | -179.3 | -56.4 | 168.7 | 0 | 0 | 0 | 108 | D84 Q85 L87 Y90 F106 E139 | D84-I134 PolarHBondContact N-O 2.81Å; D84-I134 VanDerWaalsContact N-O 3.14Å; Q85-I134 HydrophobicContact CG-CB 4.45Å; Q85-I134 PolarHBondContact N-O 3.35Å; Q85-I134 PolarHBondContact O-N 2.82Å; L87-I134 HydrophobicContact CB-CD1 4.05Å; L87-I134 HydrophobicContact CD1-CD1 3.69Å; L87-I134 HydrophobicContact CG-CD1 4.49Å; Y90-I134 HydrophobicContact CD1-CD1 4.34Å; Y90-I134 HydrophobicContact CD2-CD1 3.81Å; Y90-I134 HydrophobicContact CD2-CG2 4.35Å; Y90-I134 HydrophobicContact CG-CD1 3.69Å; F106-I134 HydrophobicContact CD2-CD1 4.47Å; F106-I134 HydrophobicContact CE1-CD1 4.44Å; F106-I134 HydrophobicContact CE1-CG2 4.25Å; F106-I134 HydrophobicContact CE2-CD1 3.78Å; F106-I134 HydrophobicContact CZ-CD1 3.77Å; F106-I134 HydrophobicContact CZ-CG1 4.33Å; F106-I134 HydrophobicContact CZ-CG2 4.01Å; I134-E139 WeakPolarHBondContact CA-O 3.38Å |
| 135 | N | 93.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 33.5 Ų | 33.5 | 11% | 0.112 | 16% | 0.163 | C | C | . | . | trans | -97.5 | 170.5 | 171.5 | 72.2 | 14.8 | 0 | 0 | 0 | 111.9 | D84 N137 G138 E139 | D84-N135 WeakPolarHBondContact OD2-CA 3.45Å; N135-N137 PolarHBondContact O-N 3.25Å; N135-N137 WeakPolarHBondContact OD1-CB 3.37Å; N135-N137 PolarHBondContact OD1-N 2.97Å; N135-G138 PolarHBondContact O-N 2.91Å; N135-G138 PolarHBondContact OD1-N 3.28Å; N135-E139 PolarHBondContact N-O 3.42Å; N135-E139 PolarHBondContact ND2-OE2 3.22Å; N135-E139 WeakPolarHBondContact OD1-CB 3.34Å; N135-E139 PolarHBondContact OD1-N 3.36Å | ||
| 136 | R | 90.4 | Very high | 92.8 | Very high | 205 Ų | 205 | 33.2 Ų | 33.2 | 77% | 0.774 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -23.6 | 177.1 | -79.8 | 165.4 | -160.9 | -143.7 | -3.1 | 115.4 | D84 G138 | D84-R136 IonicContact OD1-CZ 3.39Å; D84-R136 IonicContact OD1-NE 3.79Å; D84-R136 PolarHBondContact OD1-NE 3.43Å; D84-R136 IonicContact OD1-NH2 2.89Å; D84-R136 WeakPolarHBondContact OD2-CG 3.42Å; D84-R136 PolarHBondContact OD2-N 2.88Å; D84-R136 IonicContact OD2-NE 2.84Å; R136-G138 PolarHBondContact O-N 3.05Å |
| 137 | N | 91.7 | Very high | 91.7 | Very high | 131 Ų | 131 | 35.1 Ų | 35.1 | 70% | 0.701 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 1.4 | 179.9 | -59.3 | -24.5 | 0 | 0 | 0 | 112.3 | N135 E139 | N135-N137 PolarHBondContact O-N 3.25Å; N135-N137 WeakPolarHBondContact OD1-CB 3.37Å; N135-N137 PolarHBondContact OD1-N 2.97Å; N137-E139 VanDerWaalsContact C-N 3.29Å; N137-E139 HydrophobicContact CB-CG 4.16Å |
| 138 | G | 92.4 | Very high | 90.5 | Very high | 26 Ų | 26 | 35.1 Ų | 35.1 | 27% | 0.268 | 17% | 0.173 | S | C | . | . | trans | 75.2 | 19.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q109 N135 R136 | Q109-G138 PolarHBondContact NE2-O 3.36Å; N135-G138 PolarHBondContact O-N 2.91Å; N135-G138 PolarHBondContact OD1-N 3.28Å; R136-G138 PolarHBondContact O-N 3.05Å | ||
| 139 | E | 96.3 | Very high | 89.4 | Confident | 69 Ų | 69 | 37.4 Ų | 37.4 | 32% | 0.322 | 18% | 0.18 | S | C | . | . | trans | -84.3 | 125.7 | 175.2 | -56 | 179.8 | 134.6 | 0 | 0 | 110.2 | Q109 I134 N135 N137 | Q109-E139 VanDerWaalsContact OE1-CA 3.27Å; I134-E139 WeakPolarHBondContact CA-O 3.38Å; N135-E139 PolarHBondContact N-O 3.42Å; N135-E139 PolarHBondContact ND2-OE2 3.22Å; N135-E139 WeakPolarHBondContact OD1-CB 3.34Å; N135-E139 PolarHBondContact OD1-N 3.36Å; N137-E139 VanDerWaalsContact C-N 3.29Å; N137-E139 HydrophobicContact CB-CG 4.16Å | ||
| 140 | L | 97.9 | Very high | 88 | Confident | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 131.5 | 175.8 | -175.2 | 154.5 | 0 | 0 | 0 | 110.3 | N62 F106 Q109 L110 L132 L133 | N62-L140 WeakPolarHBondContact CA-O 3.46Å; N62-L140 WeakPolarHBondContact CB-O 3.33Å; N62-L140 PolarHBondContact ND2-O 3.26Å; F106-L140 HydrophobicContact CB-CD1 3.71Å; F106-L140 HydrophobicContact CD1-CB 4.1Å; F106-L140 HydrophobicContact CD1-CD1 4.13Å; F106-L140 HydrophobicContact CG-CD1 3.93Å; Q109-L140 HydrophobicContact CB-CB 3.97Å; L110-L140 HydrophobicContact CB-CD2 4.14Å; L132-L140 HydrophobicContact CB-CD1 4.49Å; L132-L140 HydrophobicContact CB-CG 4.5Å; L132-L140 HydrophobicContact CD1-CD1 4.39Å; L132-L140 HydrophobicContact CD2-CD2 4.23Å; L133-L140 CarbonylContact O-C 3.51Å; L133-L140 WeakPolarHBondContact O-CA 3.35Å |
| 141 | K | 98.3 | Very high | 86.8 | Confident | 12 Ų | 12 | 38.8 Ų | 38.8 | 5% | 0.052 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 129.2 | -177.7 | -71.1 | 161.8 | -179.8 | -74 | 0 | 111.2 | K61 E81 L133 | K61-K141 WeakPolarHBondContact O-CG 3.24Å; K61-K141 PolarHBondContact O-NZ 3.49Å; E81-K141 WeakPolarHBondContact OE1-CD 3.38Å; E81-K141 IonicContact OE1-NZ 2.95Å; E81-K141 PolarHBondContact OE1-NZ 3.17Å; E81-K141 WeakPolarHBondContact OE2-CE 3.49Å; E81-K141 IonicContact OE2-NZ 2.83Å; E81-K141 PolarHBondContact OE2-NZ 3.43Å; L133-K141 PolarHBondContact N-O 3.47Å; L133-K141 PolarHBondContact O-N 3.05Å |
| 142 | L | 97.9 | Very high | 84.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 132.5 | 169.3 | -63.3 | -179.4 | 0 | 0 | 0 | 110.1 | N62 I63 V64 L110 G113 L114 L127 L132 F145 | N62-L142 PolarHBondContact O-N 3.3Å; I63-L142 HydrophobicContact CG1-CB 4.39Å; I63-L142 HydrophobicContact CG1-CD1 4.35Å; V64-L142 WeakPolarHBondContact CB-O 3.4Å; V64-L142 WeakPolarHBondContact CG1-O 3.5Å; V64-L142 PolarHBondContact N-O 3.3Å; L110-L142 HydrophobicContact CD1-CD2 3.44Å; L110-L142 VanDerWaalsContact CD1-CD2 3.44Å; G113-L142 VanDerWaalsContact C-CD1 3.48Å; L114-L142 HydrophobicContact CD2-CD1 3.82Å; L114-L142 HydrophobicContact CG-CD1 4.18Å; L127-L142 HydrophobicContact CD2-CD2 3.67Å; L132-L142 HydrophobicContact CD2-CD2 3.38Å; L142-F145 HydrophobicContact CB-CE2 4.17Å; L142-F145 HydrophobicContact CB-CZ 4.12Å |
| 143 | A | 93.1 | Very high | 82.4 | Confident | 9 Ų | 9 | 48 Ų | 48 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | trans | -135.7 | 171.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | V64 H124 N131 L133 | V64-A143 HydrophobicContact CB-CB 4.22Å; V64-A143 HydrophobicContact CG1-CB 3.88Å; H124-A143 PolarHBondContact CE1-O 3.41Å; H124-A143 PolarHBondContact NE2-O 2.93Å; N131-A143 PolarHBondContact O-N 2.98Å; L133-A143 HydrophobicContact CD1-CB 3.58Å; L133-A143 HydrophobicContact CG-CB 3.66Å | ||
| 144 | D | 85.1 | Confident | 79.8 | Confident | 40 Ų | 40 | 52.2 Ų | 52.2 | 21% | 0.214 | 29% | 0.289 | C | S | . | . | trans | 58.4 | 75 | 179.7 | -156.8 | 8.9 | 0 | 0 | 0 | 114.6 | K33 H124 G146 | K33-D144 IonicContact NZ-OD1 3.7Å; K33-D144 PolarHBondContact NZ-OD1 2.95Å; H124-D144 PolarHBondContact CE1-O 3.28Å; D144-G146 PolarHBondContact O-N 2.89Å | ||
| 145 | F | 83.7 | Confident | 77.7 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -86.5 | 15.5 | 177.3 | -74.7 | -105.4 | 0 | 0 | 0 | 112.4 | E51 L55 L58 I63 L142 L147 A148 | E51-F145 HydrophobicContact CG-CB 4.36Å; L55-F145 HydrophobicContact CD2-CD2 3.7Å; L55-F145 HydrophobicContact CD2-CE2 4.05Å; L55-F145 HydrophobicContact CD2-CG 4.17Å; L55-F145 HydrophobicContact CG-CB 4.42Å; L55-F145 HydrophobicContact CG-CD2 4.39Å; L55-F145 HydrophobicContact CG-CG 4.48Å; L58-F145 HydrophobicContact CD1-CD1 3.79Å; L58-F145 HydrophobicContact CD1-CE1 3.44Å; L58-F145 VanDerWaalsContact CD1-CE1 3.44Å; L58-F145 HydrophobicContact CD1-CZ 4.11Å; I63-F145 HydrophobicContact CG2-CE2 3.8Å; I63-F145 HydrophobicContact CG2-CZ 3.81Å; L142-F145 HydrophobicContact CB-CE2 4.17Å; L142-F145 HydrophobicContact CB-CZ 4.12Å; F145-L147 PolarHBondContact O-N 3.47Å; F145-A148 HydrophobicContact CB-CB 3.79Å; F145-A148 HydrophobicContact CD1-CB 3.57Å; F145-A148 HydrophobicContact CG-CB 4.1Å; F145-A148 VanDerWaalsContact O-CB 3.26Å; F145-A148 WeakPolarHBondContact O-CB 3.34Å; F145-A148 PolarHBondContact O-N 2.93Å |
| 146 | G | 71.9 | Confident | 75.5 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.01 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -59.8 | -29.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D144 | D144-G146 PolarHBondContact O-N 2.89Š|
| 147 | L | 69.4 | Low | 73.5 | Confident | 51 Ų | 51 | 58.3 Ų | 58.3 | 27% | 0.267 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -100 | 1.6 | 172.8 | -63.1 | -177.3 | 0 | 0 | 0 | 113.3 | R125 D126 F145 | R125-L147 PolarHBondContact NE-O 3.29Å; R125-L147 PolarHBondContact NH2-O 3.49Å; D126-L147 HydrophobicContact CB-CB 4.3Å; D126-L147 HydrophobicContact CB-CD1 3.99Å; F145-L147 PolarHBondContact O-N 3.47Å |
| 148 | A | 68.9 | Low | 71.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -70.3 | 157.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | R50 L54 V122 L123 H124 F145 | R50-A148 WeakPolarHBondContact CD-O 3.41Å; L54-A148 HydrophobicContact CD1-CB 3.6Å; V122-A148 HydrophobicContact CG1-CB 4.24Å; L123-A148 CarbonylContact O-C 3.43Å; L123-A148 WeakPolarHBondContact O-CA 3.06Å; L123-A148 VanDerWaalsContact O-CB 3.26Å; L123-A148 WeakPolarHBondContact O-CB 3.47Å; H124-A148 WeakPolarHBondContact O-CA 3.44Å; F145-A148 HydrophobicContact CB-CB 3.79Å; F145-A148 HydrophobicContact CD1-CB 3.57Å; F145-A148 HydrophobicContact CG-CB 4.1Å; F145-A148 VanDerWaalsContact O-CB 3.26Å; F145-A148 WeakPolarHBondContact O-CB 3.34Å; F145-A148 PolarHBondContact O-N 2.93Å | ||
| 149 | R | 73.1 | Confident | 70.2 | Confident | 83 Ų | 83 | 55 Ų | 55 | 31% | 0.313 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 140.4 | -179.5 | -163.1 | 168.9 | -178.7 | 141.3 | 0.3 | 111.8 | L123 | L123-R149 PolarHBondContact N-O 3.25Å; L123-R149 PolarHBondContact O-N 3.05Å |
| 150 | A | 66.4 | Low | 68.1 | Low | 59 Ų | 59 | 53.7 Ų | 53.7 | 49% | 0.488 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 136.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | N121 | N121-A150 CarbonylContact O-C 3.54Å; N121-A150 WeakPolarHBondContact O-CA 3.28Å |
| 151 | F | 66.9 | Low | 66.2 | Low | 51 Ų | 51 | 62 Ų | 62 | 22% | 0.224 | 34% | 0.344 | C | S | . | . | trans | -112 | 159.2 | 173.6 | 70.4 | -92.7 | 0 | 0 | 0 | 110.8 | N121 L123 T181 | N121-F151 HydrophobicContact CB-CD1 4.07Å; N121-F151 HydrophobicContact CB-CD2 4.34Å; N121-F151 HydrophobicContact CB-CE1 4.02Å; N121-F151 HydrophobicContact CB-CE2 4.23Å; N121-F151 HydrophobicContact CB-CG 4.26Å; N121-F151 HydrophobicContact CB-CZ 4.08Å; N121-F151 WeakPolarHBondContact CB-O 3.45Å; N121-F151 VanDerWaalsContact ND2-CE2 3.26Å; N121-F151 WeakPolarHBondContact ND2-CE2 3.29Å; N121-F151 WeakPolarHBondContact O-CD1 3.48Å; N121-F151 PolarHBondContact O-N 2.95Å; L123-F151 HydrophobicContact CD1-CD1 4.46Å; L123-F151 HydrophobicContact CD2-CD1 3.66Å; L123-F151 HydrophobicContact CD2-CE1 3.74Å; L123-F151 HydrophobicContact CG-CB 4.5Å; L123-F151 HydrophobicContact CG-CD1 3.67Å; L123-F151 HydrophobicContact CG-CE1 4.26Å; L123-F151 HydrophobicContact CG-CG 4.41Å; F151-T181 HydrophobicContact CE1-CG2 3.89Å; F151-T181 HydrophobicContact CZ-CG2 3.78Å | ||
| 152 | G | 48.2 | Very low | 64.3 | Low | 66 Ų | 66 | 61.8 Ų | 61.8 | 68% | 0.68 | 34% | 0.343 | S | S | * | . | trans | 113.6 | -12.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 153 | I | 51.5 | Low | 62.5 | Low | 139 Ų | 139 | 62 Ų | 62 | 71% | 0.713 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -86.7 | 136.6 | 161.3 | -57.3 | 175.4 | 0 | 0 | 0 | 106.9 | V155 | I153-V155 VanDerWaalsContact O-CG2 3.3Å; I153-V155 WeakPolarHBondContact O-CG2 3.32Å; I153-V155 PolarHBondContact O-N 3.45Å |
| 154 | P | 43.3 | Very low | 61.9 | Low | 130 Ų | 130 | 64 Ų | 64 | 84% | 0.844 | 36% | 0.356 | S | S | * | . | trans | -60.6 | 96.1 | 178 | 1.5 | -0.4 | 0 | 0 | 0 | 110.7 | ||||
| 155 | V | 51.7 | Low | 62.2 | Low | 40 Ų | 40 | 63.7 Ų | 63.7 | 24% | 0.242 | 35% | 0.354 | C | S | . | . | trans | -90.1 | 125.5 | 172.9 | -166.6 | 0 | 0 | 0 | 0 | 107.2 | I153 C157 Y158 | I153-V155 VanDerWaalsContact O-CG2 3.3Å; I153-V155 WeakPolarHBondContact O-CG2 3.32Å; I153-V155 PolarHBondContact O-N 3.45Å; V155-C157 WeakPolarHBondContact CG1-O 3.35Å; V155-C157 PolarHBondContact O-N 2.98Å; V155-Y158 HydrophobicContact CB-CD1 4.44Å; V155-Y158 HydrophobicContact CB-CE1 4Å; V155-Y158 HydrophobicContact CG1-CD1 4.31Å; V155-Y158 HydrophobicContact CG1-CE1 4.27Å; V155-Y158 HydrophobicContact CG2-CE1 3.75Å | ||
| 156 | R | 46.7 | Very low | 62.7 | Low | 249 Ų | 249 | 68.5 Ų | 68.5 | 94% | 0.94 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -59.1 | -32.8 | -178 | -79.8 | -176.6 | 174 | -177.2 | -1.5 | 113.1 | ||
| 157 | C | 49.3 | Very low | 63.9 | Low | 67 Ų | 67 | 68.7 Ų | 68.7 | 45% | 0.453 | 37% | 0.373 | S | S | . | . | trans | -160.2 | 143.7 | 176.7 | -75.1 | 0 | 0 | 0 | 0 | 109.6 | V155 | V155-C157 WeakPolarHBondContact CG1-O 3.35Å; V155-C157 PolarHBondContact O-N 2.98Å | ||
| 158 | Y | 58 | Low | 65.1 | Low | 24 Ų | 24 | 68.2 Ų | 68.2 | 9% | 0.094 | 37% | 0.367 | C | S | . | . | trans | -98.5 | 152 | 162.5 | -60.9 | -73.1 | 0 | 0 | 0 | 110.5 | V155 A160 K177 Y179 | V155-Y158 HydrophobicContact CB-CD1 4.44Å; V155-Y158 HydrophobicContact CB-CE1 4Å; V155-Y158 HydrophobicContact CG1-CD1 4.31Å; V155-Y158 HydrophobicContact CG1-CE1 4.27Å; V155-Y158 HydrophobicContact CG2-CE1 3.75Å; Y158-A160 PolarHBondContact O-N 2.97Å; Y158-K177 PolarHBondContact N-O 3.47Å; Y158-K177 VanDerWaalsContact N-O 3.11Å; Y158-Y179 WeakPolarHBondContact CB-OH 3.12Å; Y158-Y179 HydrophobicContact CD1-CE2 4.48Å; Y158-Y179 HydrophobicContact CD2-CD2 4.06Å; Y158-Y179 AromaticContact CD2-CE2 3.88Å; Y158-Y179 HydrophobicContact CD2-CE2 3.88Å; Y158-Y179 HydrophobicContact CG-CD2 4.3Å; Y158-Y179 AromaticContact CG-CE2 3.66Å; Y158-Y179 HydrophobicContact CG-CE2 3.66Å | ||
| 159 | S | 57.5 | Low | 66.4 | Low | 63 Ų | 63 | 68.2 Ų | 68.2 | 44% | 0.441 | 37% | 0.367 | S | S | . | . | trans | -70.6 | 120.6 | -175.9 | 52.3 | 0 | 0 | 0 | 0 | 112.9 | E161 V162 Y179 | S159-E161 PolarHBondContact O-N 3.06Å; S159-V162 WeakPolarHBondContact O-CG1 3.31Å; S159-V162 WeakPolarHBondContact O-CG2 3.2Å; S159-V162 WeakPolarHBondContact OG-CG1 3.47Å; S159-Y179 PolarHBondContact N-OH 3.41Å; S159-Y179 VanDerWaalsContact N-OH 3.12Å; S159-Y179 PolarHBondContact O-OH 3.09Å | ||
| 160 | A | 50.9 | Low | 67.4 | Low | 42 Ų | 42 | 64.2 Ų | 64.2 | 35% | 0.347 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -64.1 | -24 | -178 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y158 V162 | Y158-A160 PolarHBondContact O-N 2.97Å; A160-V162 PolarHBondContact O-N 3.04Å |
| 161 | E | 58.8 | Low | 68.7 | Low | 177 Ų | 177 | 61.6 Ų | 61.6 | 83% | 0.827 | 33% | 0.33 | S | S | * | . | trans | -81.4 | 61.9 | 175.7 | -64.4 | -175.4 | 174.2 | 0 | 0 | 112.4 | S159 | S159-E161 PolarHBondContact O-N 3.06Š| ||
| 162 | V | 57.8 | Low | 69.9 | Low | 6 Ų | 6 | 59.4 Ų | 59.4 | 4% | 0.036 | 32% | 0.321 | C | S | . | . | trans | -124.5 | 159.5 | 172 | -67.1 | 0 | 0 | 0 | 0 | 109.5 | R125 S159 A160 R168 I183 | R125-V162 HydrophobicContact CB-CB 4.47Å; S159-V162 WeakPolarHBondContact O-CG1 3.31Å; S159-V162 WeakPolarHBondContact O-CG2 3.2Å; S159-V162 WeakPolarHBondContact OG-CG1 3.47Å; A160-V162 PolarHBondContact O-N 3.04Å; V162-R168 PolarHBondContact O-NE 3.11Å; V162-R168 PolarHBondContact O-NH2 3.15Å; V162-I183 HydrophobicContact CG2-CD1 4.07Å | ||
| 163 | V | 61.2 | Low | 72 | Confident | 6 Ų | 6 | 56.6 Ų | 56.6 | 4% | 0.036 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 67.9 | 133.8 | -175.3 | -166.4 | 0 | 0 | 0 | 0 | 112.7 | R125 L165 Y167 R168 I183 | R125-V163 VanDerWaalsContact O-CA 3.28Å; R125-V163 WeakPolarHBondContact O-CA 3.48Å; R125-V163 WeakPolarHBondContact O-CG2 3.46Å; R125-V163 PolarHBondContact O-N 3.22Å; R125-V163 VanDerWaalsContact O-N 3.07Å; V163-L165 PolarHBondContact O-N 3.46Å; V163-Y167 WeakPolarHBondContact CG1-O 3.32Å; V163-R168 HydrophobicContact CB-CB 4.27Å; V163-R168 HydrophobicContact CB-CG 4.41Å; V163-R168 HydrophobicContact CG1-CB 4.31Å; V163-R168 PolarHBondContact O-NE 3.47Å; V163-R168 PolarHBondContact O-NH2 2.89Å; V163-I183 HydrophobicContact CG2-CD1 3.64Å; V163-I183 HydrophobicContact CG2-CG1 3.94Å |
| 164 | T | 79.3 | Confident | 74 | Confident | 49 Ų | 49 | 50 Ų | 50 | 30% | 0.301 | 26% | 0.257 | S | S | . | . | trans | -56.2 | 132.6 | 169.1 | -59.9 | 0 | 0 | 0 | 0 | 110.1 | D126 K128 W166 Y167 R168 | D126-T164 PolarHBondContact OD1-N 2.79Å; D126-T164 PolarHBondContact OD1-OG1 2.88Å; D126-T164 VanDerWaalsContact OD1-OG1 3.06Å; K128-T164 WeakPolarHBondContact CD-OG1 3.35Å; K128-T164 PolarHBondContact NZ-OG1 2.99Å; T164-W166 VanDerWaalsContact C-N 3.26Å; T164-W166 PolarHBondContact O-N 3.43Å; T164-Y167 HydrophobicContact CG2-CD2 4.24Å; T164-Y167 HydrophobicContact CG2-CE2 4.44Å; T164-Y167 PolarHBondContact O-N 3.03Å; T164-R168 PolarHBondContact O-N 3.47Å | ||
| 165 | L | 90.8 | Very high | 76.2 | Confident | 35 Ų | 35 | 44 Ų | 44 | 18% | 0.183 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -45.4 | -43.5 | -166.3 | 179.3 | 62.3 | 0 | 0 | 0 | 114.7 | V163 Y167 R168 L173 G205 V208 Q211 | V163-L165 PolarHBondContact O-N 3.46Å; L165-Y167 PolarHBondContact O-N 2.74Å; L165-R168 WeakPolarHBondContact O-CB 3.44Å; L165-R168 PolarHBondContact O-N 3.36Å; L165-L173 HydrophobicContact CD1-CD2 3.77Å; L165-G205 WeakPolarHBondContact CD2-O 3.26Å; L165-V208 HydrophobicContact CD1-CG2 4.24Å; L165-Q211 HydrophobicContact CD1-CB 4.03Å; L165-Q211 HydrophobicContact CD1-CG 4.08Å; L165-Q211 HydrophobicContact CG-CB 4.31Å; L165-Q211 HydrophobicContact CG-CG 4.33Å; L165-Q211 PolarHBondContact O-NE2 3.05Å |
| 166 | W | 95.7 | Very high | 78 | Confident | 101 Ų | 101 | 42.5 Ų | 42.5 | 38% | 0.383 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -65.3 | -22.4 | -176 | -57 | -15.3 | 0 | 0 | 0 | 114.4 | T164 P201 F203 P204 G205 Q211 | T164-W166 VanDerWaalsContact C-N 3.26Å; T164-W166 PolarHBondContact O-N 3.43Å; W166-P201 HydrophobicContact CE3-CB 3.95Å; W166-P201 HydrophobicContact CE3-CG 3.7Å; W166-P201 HydrophobicContact CZ3-CB 4.45Å; W166-P201 HydrophobicContact CZ3-CG 3.77Å; W166-F203 WeakPolarHBondContact CA-O 3.44Å; W166-F203 WeakPolarHBondContact CB-O 3.49Å; W166-P204 HydrophobicContact CD2-CB 4.47Å; W166-P204 HydrophobicContact CZ2-CB 4.49Å; W166-G205 PolarHBondContact NE1-O 3.5Å; W166-Q211 PolarHBondContact O-NE2 3.17Å |
| 167 | Y | 96.6 | Very high | 79.5 | Confident | 5 Ų | 5 | 36.1 Ų | 36.1 | 2% | 0.02 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -108.8 | 6 | -177.7 | -52.4 | -89.5 | 0 | 0 | 0 | 112.4 | L127 K128 P129 V163 T164 L165 W186 S187 C190 I191 E194 | L127-Y167 WeakPolarHBondContact O-CB 3.26Å; K128-Y167 HydrophobicContact CB-CD2 3.84Å; K128-Y167 HydrophobicContact CB-CE1 4.47Å; K128-Y167 HydrophobicContact CB-CE2 3.64Å; K128-Y167 HydrophobicContact CB-CG 4.37Å; P129-Y167 WeakPolarHBondContact CD-OH 3.34Å; P129-Y167 HydrophobicContact CG-CE1 4.44Å; P129-Y167 WeakPolarHBondContact CG-OH 3.43Å; V163-Y167 WeakPolarHBondContact CG1-O 3.32Å; T164-Y167 HydrophobicContact CG2-CD2 4.24Å; T164-Y167 HydrophobicContact CG2-CE2 4.44Å; T164-Y167 PolarHBondContact O-N 3.03Å; L165-Y167 PolarHBondContact O-N 2.74Å; Y167-W186 VanDerWaalsContact O-CD1 3.31Å; Y167-S187 PolarHBondContact O-OG 3.08Å; Y167-C190 HydrophobicContact CD1-CB 3.76Å; Y167-C190 HydrophobicContact CE1-CB 4.3Å; Y167-I191 HydrophobicContact CD1-CG1 4.07Å; Y167-I191 HydrophobicContact CE1-CG1 3.89Å; Y167-E194 WeakPolarHBondContact CE1-OE1 3.4Å; Y167-E194 PolarHBondContact OH-OE1 3.48Å; Y167-E194 PolarHBondContact OH-OE2 3.3Å |
| 168 | R | 95.2 | Very high | 81 | Confident | 40 Ų | 40 | 39.1 Ų | 39.1 | 15% | 0.151 | 20% | 0.2 | C | C | . | . | trans | -82.9 | 134.3 | -177.4 | -168.1 | -178.8 | -67.4 | 164.2 | 4.9 | 110.6 | V162 V163 T164 L165 V172 L173 W186 | V162-R168 PolarHBondContact O-NE 3.11Å; V162-R168 PolarHBondContact O-NH2 3.15Å; V163-R168 HydrophobicContact CB-CB 4.27Å; V163-R168 HydrophobicContact CB-CG 4.41Å; V163-R168 HydrophobicContact CG1-CB 4.31Å; V163-R168 PolarHBondContact O-NE 3.47Å; V163-R168 PolarHBondContact O-NH2 2.89Å; T164-R168 PolarHBondContact O-N 3.47Å; L165-R168 WeakPolarHBondContact O-CB 3.44Å; L165-R168 PolarHBondContact O-N 3.36Å; R168-V172 HydrophobicContact CG-CB 3.94Å; R168-V172 HydrophobicContact CG-CG1 3.83Å; R168-L173 HydrophobicContact CB-CD2 4.28Å; R168-L173 HydrophobicContact CB-CG 4.28Å; R168-L173 HydrophobicContact CG-CD2 4.2Å; R168-L173 HydrophobicContact CG-CG 4.03Å; R168-L173 WeakPolarHBondContact O-CD1 3.32Å; R168-W186 PolarHBondContact O-NE1 2.83Å | ||
| 169 | P | 95.2 | Very high | 82 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -79.2 | 161.3 | -178.3 | 35.1 | -40.2 | 0 | 0 | 0 | 113.1 | D171 V172 L173 I183 W186 | P169-D171 VanDerWaalsContact C-N 3.34Å; P169-D171 WeakPolarHBondContact CB-OD1 3.21Å; P169-D171 VanDerWaalsContact CG-OD1 3.26Å; P169-D171 WeakPolarHBondContact CG-OD1 3.34Å; P169-D171 PolarHBondContact O-N 3.21Å; P169-V172 HydrophobicContact CG-CB 3.95Å; P169-V172 HydrophobicContact CG-CG2 3.59Å; P169-V172 PolarHBondContact O-N 3.38Å; P169-L173 WeakPolarHBondContact O-CG 3.43Å; P169-L173 PolarHBondContact O-N 2.97Å; P169-I183 HydrophobicContact CG-CG1 3.96Å; P169-W186 HydrophobicContact CB-CB 3.68Å; P169-W186 HydrophobicContact CB-CD2 3.82Å; P169-W186 HydrophobicContact CB-CE3 4.35Å; P169-W186 HydrophobicContact CB-CG 3.47Å; P169-W186 VanDerWaalsContact CB-CG 3.47Å | ||
| 170 | P | 94.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.2 | -38.8 | -177.4 | -27.5 | 36.9 | 0 | 0 | 0 | 114.7 | V172 L173 F174 W186 L212 I215 C265 | P170-V172 PolarHBondContact O-N 2.76Å; P170-L173 PolarHBondContact O-N 3.11Å; P170-F174 WeakPolarHBondContact O-CD2 3.26Å; P170-F174 PolarHBondContact O-N 3.35Å; P170-W186 HydrophobicContact CG-CH2 3.74Å; P170-W186 HydrophobicContact CG-CZ2 4.16Å; P170-W186 HydrophobicContact CG-CZ3 3.92Å; P170-L212 HydrophobicContact CB-CD2 4.28Å; P170-I215 HydrophobicContact CG-CD1 4.29Å; P170-I215 HydrophobicContact CG-CG2 3.93Å; P170-C265 HydrophobicContact CG-CB 4.22Å |
| 171 | D | 93.1 | Very high | 85.6 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.3 | -44.1 | 178.8 | 57.3 | -49.4 | 0 | 0 | 0 | 111.6 | P169 F174 G175 A176 W223 P267 R270 | P169-D171 VanDerWaalsContact C-N 3.34Å; P169-D171 WeakPolarHBondContact CB-OD1 3.21Å; P169-D171 VanDerWaalsContact CG-OD1 3.26Å; P169-D171 WeakPolarHBondContact CG-OD1 3.34Å; P169-D171 PolarHBondContact O-N 3.21Å; D171-F174 CarbonylContact O-C 3.55Å; D171-F174 PolarHBondContact O-N 2.88Å; D171-G175 PolarHBondContact O-N 2.72Å; D171-A176 HydrophobicContact CB-CB 4.06Å; D171-A176 WeakPolarHBondContact O-CB 3.48Å; D171-A176 PolarHBondContact O-N 2.99Å; D171-W223 HydrophobicContact CB-CH2 3.41Å; D171-W223 VanDerWaalsContact CB-CH2 3.41Å; D171-W223 HydrophobicContact CB-CZ2 4.4Å; D171-W223 HydrophobicContact CB-CZ3 3.92Å; D171-P267 HydrophobicContact CB-CG 4.13Å; D171-R270 IonicContact OD1-CZ 3.97Å; D171-R270 IonicContact OD1-NH1 3.77Å; D171-R270 PolarHBondContact OD1-NH1 3.42Å; D171-R270 IonicContact OD1-NH2 2.67Å; D171-R270 PolarHBondContact OD1-NH2 3.02Å; D171-R270 IonicContact OD2-NH2 3.62Å |
| 172 | V | 92.7 | Very high | 87.4 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 2% | 0.024 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.9 | -36.9 | 177 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | R168 P169 P170 F174 G175 Y179 I183 | R168-V172 HydrophobicContact CG-CB 3.94Å; R168-V172 HydrophobicContact CG-CG1 3.83Å; P169-V172 HydrophobicContact CG-CB 3.95Å; P169-V172 HydrophobicContact CG-CG2 3.59Å; P169-V172 PolarHBondContact O-N 3.38Å; P170-V172 PolarHBondContact O-N 2.76Å; V172-F174 PolarHBondContact O-N 3.5Å; V172-G175 PolarHBondContact O-N 3.26Å; V172-Y179 HydrophobicContact CG2-CD1 3.91Å; V172-Y179 HydrophobicContact CG2-CE1 4.43Å; V172-Y179 HydrophobicContact CG2-CG 4.41Å; V172-I183 HydrophobicContact CG2-CD1 3.93Å; V172-I183 HydrophobicContact CG2-CG1 4.29Å |
| 173 | L | 93.3 | Very high | 89.2 | Confident | 8 Ų | 8 | 29.5 Ų | 29.5 | 4% | 0.042 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.5 | -26.9 | 173.2 | -71.8 | 163.9 | 0 | 0 | 0 | 112.8 | L165 R168 P169 P170 V208 Q211 L212 I215 | L165-L173 HydrophobicContact CD1-CD2 3.77Å; R168-L173 HydrophobicContact CB-CD2 4.28Å; R168-L173 HydrophobicContact CB-CG 4.28Å; R168-L173 HydrophobicContact CG-CD2 4.2Å; R168-L173 HydrophobicContact CG-CG 4.03Å; R168-L173 WeakPolarHBondContact O-CD1 3.32Å; P169-L173 WeakPolarHBondContact O-CG 3.43Å; P169-L173 PolarHBondContact O-N 2.97Å; P170-L173 PolarHBondContact O-N 3.11Å; L173-V208 HydrophobicContact CB-CG1 4.31Å; L173-V208 HydrophobicContact CD2-CB 4.39Å; L173-V208 HydrophobicContact CD2-CG1 3.96Å; L173-V208 HydrophobicContact CD2-CG2 4.23Å; L173-V208 WeakPolarHBondContact O-CG1 3.49Å; L173-Q211 HydrophobicContact CD1-CB 4.37Å; L173-Q211 HydrophobicContact CD1-CG 3.61Å; L173-Q211 HydrophobicContact CD2-CB 4.34Å; L173-Q211 HydrophobicContact CD2-CG 4.04Å; L173-L212 HydrophobicContact CB-CD1 4.08Å; L173-L212 HydrophobicContact CB-CD2 3.8Å; L173-L212 HydrophobicContact CB-CG 3.92Å; L173-L212 HydrophobicContact CD1-CD2 3.9Å; L173-L212 HydrophobicContact CD1-CG 4.06Å; L173-L212 HydrophobicContact CG-CD2 4.49Å; L173-I215 HydrophobicContact CD1-CD1 3.65Å |
| 174 | F | 92.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 15.8 | 172.1 | -73.1 | -55.7 | 0 | 0 | 0 | 114.4 | P170 D171 V172 L212 F216 M226 L229 P230 D231 Y232 Y235 | P170-F174 WeakPolarHBondContact O-CD2 3.26Å; P170-F174 PolarHBondContact O-N 3.35Å; D171-F174 CarbonylContact O-C 3.55Å; D171-F174 PolarHBondContact O-N 2.88Å; V172-F174 PolarHBondContact O-N 3.5Å; F174-L212 HydrophobicContact CD1-CD1 3.97Å; F174-L212 HydrophobicContact CD2-CD2 4.26Å; F174-L212 HydrophobicContact CE1-CD1 3.62Å; F174-L212 HydrophobicContact CE1-CD2 4.46Å; F174-L212 HydrophobicContact CE2-CD1 4.43Å; F174-L212 HydrophobicContact CE2-CD2 3.82Å; F174-L212 HydrophobicContact CZ-CD1 3.86Å; F174-L212 HydrophobicContact CZ-CD2 3.93Å; F174-L212 HydrophobicContact CZ-CG 4.5Å; F174-F216 HydrophobicContact CE2-CE2 4.24Å; F174-F216 AromaticContact CE2-CZ 3.64Å; F174-F216 HydrophobicContact CE2-CZ 3.64Å; F174-F216 AromaticContact CZ-CE2 3.9Å; F174-F216 HydrophobicContact CZ-CE2 3.9Å; F174-F216 AromaticContact CZ-CZ 3.78Å; F174-F216 HydrophobicContact CZ-CZ 3.78Å; F174-M226 HydrophobicContact CD2-CG 3.89Å; F174-M226 HydrophobicContact CD2-SD 4.2Å; F174-M226 HydrophobicContact CE2-CE 4.19Å; F174-M226 HydrophobicContact CE2-CG 3.66Å; F174-M226 HydrophobicContact CE2-SD 3.48Å; F174-M226 WeakPolarHBondContact CE2-SD 3.17Å; F174-M226 HydrophobicContact CZ-CE 4.44Å; F174-M226 HydrophobicContact CZ-SD 4.28Å; F174-L229 HydrophobicContact CB-CB 3.76Å; F174-L229 HydrophobicContact CB-CD1 3.46Å; F174-L229 VanDerWaalsContact CB-CD1 3.46Å; F174-L229 HydrophobicContact CB-CG 4.22Å; F174-L229 HydrophobicContact CD2-CD1 3.8Å; F174-L229 HydrophobicContact CG-CD1 3.99Å; F174-P230 WeakPolarHBondContact O-CD 3.4Å; F174-D231 PolarHBondContact O-N 3.24Å; F174-Y232 HydrophobicContact CE1-CD2 4.21Å; F174-Y232 HydrophobicContact CZ-CD2 4.22Å; F174-Y235 HydrophobicContact CE1-CD2 4.23Å; F174-Y235 AromaticContact CE1-CE2 3.65Å; F174-Y235 HydrophobicContact CE1-CE2 3.65Å; F174-Y235 AromaticContact CZ-CD2 3.96Å; F174-Y235 HydrophobicContact CZ-CD2 3.96Å; F174-Y235 AromaticContact CZ-CE2 3.74Å; F174-Y235 HydrophobicContact CZ-CE2 3.74Å |
| 175 | G | 89.9 | Confident | 91.8 | Very high | 3 Ų | 3 | 27 Ų | 27 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 20.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D171 V172 K177 P230 D231 | D171-G175 PolarHBondContact O-N 2.72Å; V172-G175 PolarHBondContact O-N 3.26Å; G175-K177 WeakPolarHBondContact O-CG 3.28Å; G175-K177 PolarHBondContact O-N 3.26Å; G175-K177 VanDerWaalsContact O-N 3.14Å; G175-P230 WeakPolarHBondContact O-CG 3.32Å; G175-D231 VanDerWaalsContact CA-OD2 3.28Å; G175-D231 WeakPolarHBondContact CA-OD2 3.47Å |
| 176 | A | 88.5 | Confident | 92.1 | Very high | 9 Ų | 9 | 25.3 Ų | 25.3 | 7% | 0.074 | 13% | 0.125 | C | C | . | . | trans | -52.8 | 123.6 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D171 Y179 L229 | D171-A176 HydrophobicContact CB-CB 4.06Å; D171-A176 WeakPolarHBondContact O-CB 3.48Å; D171-A176 PolarHBondContact O-N 2.99Å; A176-Y179 VanDerWaalsContact O-CD1 3.3Å; A176-Y179 WeakPolarHBondContact O-CD1 3.45Å; A176-Y179 VanDerWaalsContact O-CE1 3.25Å; A176-Y179 WeakPolarHBondContact O-CE1 3.31Å; A176-L229 HydrophobicContact CB-CD2 4.02Å | ||
| 177 | K | 79.5 | Confident | 92.3 | Very high | 114 Ų | 114 | 20.5 Ų | 20.5 | 50% | 0.496 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -92.2 | -15.4 | -178.7 | -57.5 | -170.1 | -179.7 | -178.8 | 0 | 113.4 | Y158 G175 | Y158-K177 PolarHBondContact N-O 3.47Å; Y158-K177 VanDerWaalsContact N-O 3.11Å; G175-K177 WeakPolarHBondContact O-CG 3.28Å; G175-K177 PolarHBondContact O-N 3.26Å; G175-K177 VanDerWaalsContact O-N 3.14Å |
| 178 | L | 79.4 | Confident | 92.4 | Very high | 130 Ų | 130 | 20.3 Ų | 20.3 | 68% | 0.681 | 11% | 0.106 | S | C | * | . | trans | -115.6 | 117.6 | 176.8 | -62.9 | 176 | 0 | 0 | 0 | 107.1 | ||||
| 179 | Y | 78.6 | Confident | 92.5 | Very high | 16 Ų | 16 | 18.4 Ų | 18.4 | 6% | 0.063 | 10% | 0.099 | C | C | . | . | trans | -135.8 | 151.2 | 176 | 26.5 | -100.9 | 0 | 0 | 0 | 109.3 | Y158 S159 V172 A176 I183 | Y158-Y179 WeakPolarHBondContact CB-OH 3.12Å; Y158-Y179 HydrophobicContact CD1-CE2 4.48Å; Y158-Y179 HydrophobicContact CD2-CD2 4.06Å; Y158-Y179 AromaticContact CD2-CE2 3.88Å; Y158-Y179 HydrophobicContact CD2-CE2 3.88Å; Y158-Y179 HydrophobicContact CG-CD2 4.3Å; Y158-Y179 AromaticContact CG-CE2 3.66Å; Y158-Y179 HydrophobicContact CG-CE2 3.66Å; S159-Y179 PolarHBondContact N-OH 3.41Å; S159-Y179 VanDerWaalsContact N-OH 3.12Å; S159-Y179 PolarHBondContact O-OH 3.09Å; V172-Y179 HydrophobicContact CG2-CD1 3.91Å; V172-Y179 HydrophobicContact CG2-CE1 4.43Å; V172-Y179 HydrophobicContact CG2-CG 4.41Å; A176-Y179 VanDerWaalsContact O-CD1 3.3Å; A176-Y179 WeakPolarHBondContact O-CD1 3.45Å; A176-Y179 VanDerWaalsContact O-CE1 3.25Å; A176-Y179 WeakPolarHBondContact O-CE1 3.31Å; Y179-I183 HydrophobicContact CD2-CD1 4.44Å | ||
| 180 | S | 89.5 | Confident | 92.6 | Very high | 56 Ų | 56 | 18.4 Ų | 18.4 | 39% | 0.392 | 10% | 0.099 | S | C | . | . | trans | -112.6 | -163.1 | -178.2 | 67.4 | 0 | 0 | 0 | 0 | 110.2 | S182 I183 | S180-S182 PolarHBondContact O-N 2.9Å; S180-S182 VanDerWaalsContact O-N 3.09Å; S180-S182 PolarHBondContact OG-N 3.18Å; S180-S182 PolarHBondContact OG-OG 3.23Å; S180-S182 VanDerWaalsContact OG-OG 3.11Å; S180-I183 VanDerWaalsContact O-CG2 3.28Å; S180-I183 WeakPolarHBondContact O-CG2 3.4Å; S180-I183 PolarHBondContact O-N 2.79Å | ||
| 181 | T | 95 | Very high | 92.8 | Very high | 35 Ų | 35 | 18.4 Ų | 18.4 | 22% | 0.215 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -22.1 | 170.9 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | H118 L123 F151 I183 D184 M185 | H118-T181 HydrophobicContact CB-CG2 3.68Å; H118-T181 VanDerWaalsContact CG-CG2 3.4Å; H118-T181 WeakPolarHBondContact ND1-CB 3.44Å; L123-T181 HydrophobicContact CD2-CG2 3.9Å; F151-T181 HydrophobicContact CE1-CG2 3.89Å; F151-T181 HydrophobicContact CZ-CG2 3.78Å; T181-I183 PolarHBondContact O-N 3.2Å; T181-I183 VanDerWaalsContact O-N 3.12Å; T181-D184 PolarHBondContact O-N 3.3Å; T181-D184 VanDerWaalsContact O-N 3.12Å; T181-M185 PolarHBondContact O-N 3.46Å |
| 182 | S | 96.1 | Very high | 93 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 3% | 0.028 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.1 | -20.8 | 179.2 | 67.7 | 0 | 0 | 0 | 0 | 114.4 | S180 W186 P267 R270 | S180-S182 PolarHBondContact O-N 2.9Å; S180-S182 VanDerWaalsContact O-N 3.09Å; S180-S182 PolarHBondContact OG-N 3.18Å; S180-S182 PolarHBondContact OG-OG 3.23Å; S180-S182 VanDerWaalsContact OG-OG 3.11Å; S182-W186 PolarHBondContact O-N 2.92Å; S182-P267 WeakPolarHBondContact CB-O 3.5Å; S182-P267 WeakPolarHBondContact OG-CB 3.28Å; S182-R270 PolarHBondContact O-NH1 3.2Å |
| 183 | I | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.2 | -45 | 174.5 | -167.9 | 173 | 0 | 0 | 0 | 111.2 | R125 V162 V163 P169 V172 Y179 S180 T181 M185 S187 | R125-I183 HydrophobicContact CG-CG2 4.44Å; V162-I183 HydrophobicContact CG2-CD1 4.07Å; V163-I183 HydrophobicContact CG2-CD1 3.64Å; V163-I183 HydrophobicContact CG2-CG1 3.94Å; P169-I183 HydrophobicContact CG-CG1 3.96Å; V172-I183 HydrophobicContact CG2-CD1 3.93Å; V172-I183 HydrophobicContact CG2-CG1 4.29Å; Y179-I183 HydrophobicContact CD2-CD1 4.44Å; S180-I183 VanDerWaalsContact O-CG2 3.28Å; S180-I183 WeakPolarHBondContact O-CG2 3.4Å; S180-I183 PolarHBondContact O-N 2.79Å; T181-I183 PolarHBondContact O-N 3.2Å; T181-I183 VanDerWaalsContact O-N 3.12Å; I183-M185 VanDerWaalsContact C-N 3.34Å; I183-S187 PolarHBondContact O-N 3.16Å; I183-S187 PolarHBondContact O-OG 2.99Å |
| 184 | D | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -71.4 | -34.3 | -179.7 | -66.4 | -28.4 | 0 | 0 | 0 | 110.5 | L114 H118 H124 R125 L127 T181 W186 S187 A188 | L114-D184 HydrophobicContact CD1-CB 4.48Å; L114-D184 HydrophobicContact CD2-CB 4.16Å; H118-D184 IonicContact CD2-OD2 2.78Å; H118-D184 IonicContact CE1-OD2 3.73Å; H118-D184 IonicContact NE2-OD2 3.19Å; H118-D184 PolarHBondContact NE2-OD2 2.81Å; H124-D184 PolarHBondContact N-OD1 2.93Å; H124-D184 PolarHBondContact N-OD2 3.22Å; R125-D184 PolarHBondContact N-OD1 2.97Å; L127-D184 HydrophobicContact CD1-CB 3.82Å; L127-D184 WeakPolarHBondContact CD1-O 3.33Å; T181-D184 PolarHBondContact O-N 3.3Å; T181-D184 VanDerWaalsContact O-N 3.12Å; D184-W186 VanDerWaalsContact C-N 3.34Å; D184-W186 PolarHBondContact O-N 3.32Å; D184-S187 PolarHBondContact O-N 3.32Å; D184-A188 WeakPolarHBondContact O-CB 3.45Å; D184-A188 PolarHBondContact O-N 2.97Å |
| 185 | M | 98.6 | Very high | 93.3 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.2 | -38.1 | 179.1 | -56.9 | -45.5 | -58.1 | 0 | 0 | 112.6 | L111 T181 I183 A188 G189 L262 I271 A273 | L111-M185 HydrophobicContact CD2-CE 3.72Å; T181-M185 PolarHBondContact O-N 3.46Å; I183-M185 VanDerWaalsContact C-N 3.34Å; M185-A188 PolarHBondContact O-N 2.93Å; M185-G189 PolarHBondContact O-N 3.22Å; M185-L262 HydrophobicContact CB-CD2 4.45Å; M185-L262 HydrophobicContact CE-CD2 3.52Å; M185-I271 WeakPolarHBondContact CG-O 3.37Å; M185-A273 HydrophobicContact CE-CB 3.92Å; M185-A273 HydrophobicContact SD-CB 3.77Å |
| 186 | W | 98 | Very high | 93.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.3 | -48.7 | 173.3 | 176.8 | -84.9 | 0 | 0 | 0 | 111.6 | Y167 R168 P169 P170 S182 D184 A188 G189 C190 F203 I215 L263 | Y167-W186 VanDerWaalsContact O-CD1 3.31Å; R168-W186 PolarHBondContact O-NE1 2.83Å; P169-W186 HydrophobicContact CB-CB 3.68Å; P169-W186 HydrophobicContact CB-CD2 3.82Å; P169-W186 HydrophobicContact CB-CE3 4.35Å; P169-W186 HydrophobicContact CB-CG 3.47Å; P169-W186 VanDerWaalsContact CB-CG 3.47Å; P170-W186 HydrophobicContact CG-CH2 3.74Å; P170-W186 HydrophobicContact CG-CZ2 4.16Å; P170-W186 HydrophobicContact CG-CZ3 3.92Å; S182-W186 PolarHBondContact O-N 2.92Å; D184-W186 VanDerWaalsContact C-N 3.34Å; D184-W186 PolarHBondContact O-N 3.32Å; W186-A188 VanDerWaalsContact C-N 3.26Å; W186-A188 PolarHBondContact O-N 2.99Å; W186-G189 WeakPolarHBondContact O-CA 3.36Å; W186-G189 PolarHBondContact O-N 3.27Å; W186-C190 PolarHBondContact NE1-SG 3.4Å; W186-C190 PolarHBondContact O-N 3.09Å; W186-F203 HydrophobicContact CH2-CE2 4.34Å; W186-F203 HydrophobicContact CZ2-CD2 4.2Å; W186-F203 AromaticContact CZ2-CE2 3.67Å; W186-F203 HydrophobicContact CZ2-CE2 3.67Å; W186-F203 HydrophobicContact CZ2-CZ 4.4Å; W186-I215 HydrophobicContact CH2-CD1 4.43Å; W186-I215 HydrophobicContact CH2-CG1 4.41Å; W186-I215 HydrophobicContact CH2-CG2 3.59Å; W186-I215 HydrophobicContact CZ2-CD1 3.75Å; W186-I215 HydrophobicContact CZ2-CG1 3.9Å; W186-I215 HydrophobicContact CZ2-CG2 3.96Å; W186-L263 HydrophobicContact CD2-CD2 4Å; W186-L263 HydrophobicContact CE3-CD2 4.09Å; W186-L263 HydrophobicContact CH2-CD2 4.37Å; W186-L263 HydrophobicContact CZ2-CD2 4.3Å; W186-L263 HydrophobicContact CZ3-CB 4.28Å; W186-L263 HydrophobicContact CZ3-CD2 4.29Å; W186-L263 WeakPolarHBondContact CZ3-O 3.4Å |
| 187 | S | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.5 | -38.4 | 178.3 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | Y167 I183 D184 G189 C190 I191 | Y167-S187 PolarHBondContact O-OG 3.08Å; I183-S187 PolarHBondContact O-N 3.16Å; I183-S187 PolarHBondContact O-OG 2.99Å; D184-S187 PolarHBondContact O-N 3.32Å; S187-G189 VanDerWaalsContact C-N 3.34Å; S187-G189 PolarHBondContact O-N 3.02Å; S187-C190 WeakPolarHBondContact O-CB 3.48Å; S187-C190 PolarHBondContact O-N 2.86Å; S187-I191 WeakPolarHBondContact O-CD1 3.49Å; S187-I191 VanDerWaalsContact O-CG1 3.31Å; S187-I191 WeakPolarHBondContact O-CG1 3.1Å; S187-I191 PolarHBondContact O-N 2.95Å |
| 188 | A | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.4 | -38.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M107 L110 L114 D184 M185 W186 I191 F192 | M107-A188 HydrophobicContact CE-CB 4.04Å; L110-A188 HydrophobicContact CD2-CB 4.03Å; L114-A188 HydrophobicContact CD1-CB 3.97Å; D184-A188 WeakPolarHBondContact O-CB 3.45Å; D184-A188 PolarHBondContact O-N 2.97Å; M185-A188 PolarHBondContact O-N 2.93Å; W186-A188 VanDerWaalsContact C-N 3.26Å; W186-A188 PolarHBondContact O-N 2.99Å; A188-I191 PolarHBondContact O-N 3.32Å; A188-F192 WeakPolarHBondContact O-CB 3.43Å; A188-F192 PolarHBondContact O-N 3.18Å |
| 189 | G | 98.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 10.4 Ų | 10.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -62 | -42.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M185 W186 S187 I191 F192 A193 L259 | M185-G189 PolarHBondContact O-N 3.22Å; W186-G189 WeakPolarHBondContact O-CA 3.36Å; W186-G189 PolarHBondContact O-N 3.27Å; S187-G189 VanDerWaalsContact C-N 3.34Å; S187-G189 PolarHBondContact O-N 3.02Å; G189-I191 VanDerWaalsContact C-N 3.35Å; G189-I191 PolarHBondContact O-N 3.02Å; G189-F192 PolarHBondContact O-N 2.98Å; G189-A193 PolarHBondContact O-N 3.42Å; G189-A193 VanDerWaalsContact O-N 3.08Å; G189-L259 WeakPolarHBondContact O-CD1 3.43Å |
| 190 | C | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 18.2 Ų | 18.2 | 1% | 0.007 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.1 | -45.8 | 173.8 | -69 | 0 | 0 | 0 | 0 | 111.4 | Y167 W186 S187 F192 A193 E194 | Y167-C190 HydrophobicContact CD1-CB 3.76Å; Y167-C190 HydrophobicContact CE1-CB 4.3Å; W186-C190 PolarHBondContact NE1-SG 3.4Å; W186-C190 PolarHBondContact O-N 3.09Å; S187-C190 WeakPolarHBondContact O-CB 3.48Å; S187-C190 PolarHBondContact O-N 2.86Å; C190-F192 VanDerWaalsContact C-N 3.32Å; C190-F192 PolarHBondContact O-N 3.35Å; C190-A193 PolarHBondContact O-N 3.01Å; C190-E194 PolarHBondContact O-N 3.18Å; C190-E194 VanDerWaalsContact O-N 3.09Å |
| 191 | I | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.3 | -38 | 177.9 | -67.4 | 160.5 | 0 | 0 | 0 | 111 | L87 L110 L127 L132 Y167 S187 A188 G189 A193 E194 L195 | L87-I191 HydrophobicContact CD2-CG2 3.94Å; L110-I191 HydrophobicContact CD2-CB 4.46Å; L110-I191 HydrophobicContact CD2-CG2 4.11Å; L127-I191 HydrophobicContact CB-CD1 4.06Å; L132-I191 HydrophobicContact CD1-CD1 3.97Å; L132-I191 HydrophobicContact CD1-CG2 3.87Å; Y167-I191 HydrophobicContact CD1-CG1 4.07Å; Y167-I191 HydrophobicContact CE1-CG1 3.89Å; S187-I191 WeakPolarHBondContact O-CD1 3.49Å; S187-I191 VanDerWaalsContact O-CG1 3.31Å; S187-I191 WeakPolarHBondContact O-CG1 3.1Å; S187-I191 PolarHBondContact O-N 2.95Å; A188-I191 PolarHBondContact O-N 3.32Å; G189-I191 VanDerWaalsContact C-N 3.35Å; G189-I191 PolarHBondContact O-N 3.02Å; I191-A193 VanDerWaalsContact C-N 3.31Å; I191-A193 PolarHBondContact O-N 2.91Å; I191-E194 WeakPolarHBondContact O-CB 3.43Å; I191-E194 PolarHBondContact O-N 3.03Å; I191-E194 VanDerWaalsContact O-N 3.14Å; I191-L195 HydrophobicContact CG2-CD1 4.24Å; I191-L195 HydrophobicContact CG2-CG 4.39Å; I191-L195 WeakPolarHBondContact O-CG 3.3Å; I191-L195 PolarHBondContact O-N 3.49Å |
| 192 | F | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -62 | -40.7 | 176.7 | -170.9 | -153.6 | 0 | 0 | 0 | 112 | V103 M107 A188 G189 C190 E194 L195 A196 L251 G255 L258 L259 L262 Y281 | V103-F192 HydrophobicContact CG1-CD2 4.21Å; V103-F192 HydrophobicContact CG1-CE2 3.83Å; M107-F192 HydrophobicContact CB-CD2 4.07Å; M107-F192 HydrophobicContact CB-CE2 4.17Å; M107-F192 HydrophobicContact CE-CB 4.36Å; M107-F192 HydrophobicContact CG-CD2 3.81Å; M107-F192 HydrophobicContact CG-CE2 4.06Å; M107-F192 HydrophobicContact CG-CG 4.07Å; M107-F192 HydrophobicContact SD-CB 3.56Å; M107-F192 VanDerWaalsContact SD-CB 3.56Å; M107-F192 HydrophobicContact SD-CD1 4.4Å; M107-F192 HydrophobicContact SD-CD2 3.85Å; M107-F192 HydrophobicContact SD-CG 3.7Å; A188-F192 WeakPolarHBondContact O-CB 3.43Å; A188-F192 PolarHBondContact O-N 3.18Å; G189-F192 PolarHBondContact O-N 2.98Å; C190-F192 VanDerWaalsContact C-N 3.32Å; C190-F192 PolarHBondContact O-N 3.35Å; F192-E194 VanDerWaalsContact C-N 3.34Å; F192-L195 PolarHBondContact O-N 3.41Å; F192-A196 WeakPolarHBondContact O-CB 3.32Å; F192-A196 PolarHBondContact O-N 2.96Å; F192-L251 HydrophobicContact CD1-CD1 4.41Å; F192-L251 HydrophobicContact CE1-CD1 3.9Å; F192-L251 HydrophobicContact CE1-CD2 4.41Å; F192-L251 HydrophobicContact CE2-CD1 4.25Å; F192-L251 HydrophobicContact CE2-CD2 3.61Å; F192-L251 HydrophobicContact CZ-CD1 3.81Å; F192-L251 HydrophobicContact CZ-CD2 3.5Å; F192-L251 VanDerWaalsContact CZ-CD2 3.5Å; F192-L251 HydrophobicContact CZ-CG 4.34Å; F192-G255 WeakPolarHBondContact CE1-O 3.38Å; F192-L258 HydrophobicContact CE1-CB 4.27Å; F192-L258 HydrophobicContact CE1-CD2 4.05Å; F192-L258 HydrophobicContact CE1-CG 4.16Å; F192-L258 HydrophobicContact CZ-CD2 4.45Å; F192-L259 HydrophobicContact CB-CD1 4.15Å; F192-L259 HydrophobicContact CD1-CB 3.94Å; F192-L259 HydrophobicContact CD1-CD1 3.88Å; F192-L259 HydrophobicContact CD1-CG 4.48Å; F192-L259 HydrophobicContact CE1-CB 4.09Å; F192-L259 HydrophobicContact CG-CD1 4.39Å; F192-L262 HydrophobicContact CD1-CD1 4.1Å; F192-Y281 AromaticContact CE2-CE1 3.9Å; F192-Y281 HydrophobicContact CE2-CE1 3.9Å; F192-Y281 HydrophobicContact CZ-CD1 4.13Å; F192-Y281 AromaticContact CZ-CE1 3.53Å; F192-Y281 HydrophobicContact CZ-CE1 3.53Å; F192-Y281 HydrophobicContact CZ-CE2 4.41Å; F192-Y281 AromaticContact CZ-CZ 3.71Å |
| 193 | A | 95.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 2% | 0.017 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.7 | -38 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G189 C190 I191 A196 N197 L202 V248 L259 | G189-A193 PolarHBondContact O-N 3.42Å; G189-A193 VanDerWaalsContact O-N 3.08Å; C190-A193 PolarHBondContact O-N 3.01Å; I191-A193 VanDerWaalsContact C-N 3.31Å; I191-A193 PolarHBondContact O-N 2.91Å; A193-A196 CarbonylContact O-C 3.57Å; A193-A196 PolarHBondContact O-N 3.5Å; A193-N197 VanDerWaalsContact O-CB 3.23Å; A193-N197 WeakPolarHBondContact O-CB 3.09Å; A193-N197 PolarHBondContact O-N 3.41Å; A193-L202 HydrophobicContact CB-CB 4.03Å; A193-L202 HydrophobicContact CB-CD1 4.34Å; A193-L202 HydrophobicContact CB-CD2 3.71Å; A193-L202 HydrophobicContact CB-CG 4.24Å; A193-V248 HydrophobicContact CB-CG1 3.91Å; A193-L259 HydrophobicContact CB-CD1 4.24Å; A193-L259 HydrophobicContact CB-CD2 4.33Å |
| 194 | E | 95 | Very high | 94.3 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.009 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.5 | -45.6 | 174.9 | -72.5 | -175.3 | -137.3 | 0 | 0 | 112.5 | F91 P129 Y167 C190 I191 F192 A196 N197 A198 G199 R200 P201 | F91-E194 HydrophobicContact CE2-CB 4.19Å; F91-E194 HydrophobicContact CZ-CB 4.08Å; P129-E194 WeakPolarHBondContact CG-OE2 3.4Å; Y167-E194 WeakPolarHBondContact CE1-OE1 3.4Å; Y167-E194 PolarHBondContact OH-OE1 3.48Å; Y167-E194 PolarHBondContact OH-OE2 3.3Å; C190-E194 PolarHBondContact O-N 3.18Å; C190-E194 VanDerWaalsContact O-N 3.09Å; I191-E194 WeakPolarHBondContact O-CB 3.43Å; I191-E194 PolarHBondContact O-N 3.03Å; I191-E194 VanDerWaalsContact O-N 3.14Å; F192-E194 VanDerWaalsContact C-N 3.34Å; E194-A196 PolarHBondContact O-N 2.75Å; E194-N197 CarbonylContact O-C 3.59Å; E194-N197 PolarHBondContact O-N 3.07Å; E194-N197 VanDerWaalsContact O-N 3.16Å; E194-A198 PolarHBondContact O-N 3.33Å; E194-G199 WeakPolarHBondContact O-CA 2.96Å; E194-G199 PolarHBondContact O-N 2.81Å; E194-R200 WeakPolarHBondContact CG-O 3.44Å; E194-P201 WeakPolarHBondContact OE1-CA 3.48Å |
| 195 | L | 94.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -54.7 | -43.3 | 173.6 | -72.9 | 169.6 | 0 | 0 | 0 | 110.9 | L87 F91 L98 V103 F106 I191 F192 | L87-L195 HydrophobicContact CD1-CD2 3.78Å; L87-L195 HydrophobicContact CD2-CD2 4.09Å; F91-L195 HydrophobicContact CE1-CD2 3.88Å; F91-L195 HydrophobicContact CZ-CD2 3.9Å; F91-L195 HydrophobicContact CZ-CG 4.25Å; L98-L195 HydrophobicContact CD2-CD2 3.74Å; V103-L195 HydrophobicContact CG1-CB 3.95Å; V103-L195 HydrophobicContact CG2-CB 4.19Å; V103-L195 WeakPolarHBondContact CG2-O 3.3Å; F106-L195 HydrophobicContact CB-CD1 4.14Å; F106-L195 HydrophobicContact CB-CD2 4.23Å; F106-L195 HydrophobicContact CD2-CD2 3.89Å; I191-L195 HydrophobicContact CG2-CD1 4.24Å; I191-L195 HydrophobicContact CG2-CG 4.39Å; I191-L195 WeakPolarHBondContact O-CG 3.3Å; I191-L195 PolarHBondContact O-N 3.49Å; F192-L195 PolarHBondContact O-N 3.41Å |
| 196 | A | 92.9 | Very high | 94 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -81.5 | -10.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | F192 A193 E194 V248 K250 L251 | F192-A196 WeakPolarHBondContact O-CB 3.32Å; F192-A196 PolarHBondContact O-N 2.96Å; A193-A196 CarbonylContact O-C 3.57Å; A193-A196 PolarHBondContact O-N 3.5Å; E194-A196 PolarHBondContact O-N 2.75Å; A196-V248 HydrophobicContact CB-CB 3.94Å; A196-V248 HydrophobicContact CB-CG1 3.85Å; A196-K250 WeakPolarHBondContact O-CG 3.4Å; A196-L251 HydrophobicContact CB-CD1 3.97Å; A196-L251 HydrophobicContact CB-CD2 3.95Å; A196-L251 HydrophobicContact CB-CG 3.61Å |
| 197 | N | 88.5 | Confident | 93.8 | Very high | 52 Ų | 52 | 29.2 Ų | 29.2 | 28% | 0.278 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -138.9 | 50.3 | -172.6 | -167.2 | 37.3 | 0 | 0 | 0 | 113.3 | A193 E194 G199 R200 V247 V248 | A193-N197 VanDerWaalsContact O-CB 3.23Å; A193-N197 WeakPolarHBondContact O-CB 3.09Å; A193-N197 PolarHBondContact O-N 3.41Å; E194-N197 CarbonylContact O-C 3.59Å; E194-N197 PolarHBondContact O-N 3.07Å; E194-N197 VanDerWaalsContact O-N 3.16Å; N197-G199 PolarHBondContact O-N 3.34Å; N197-R200 PolarHBondContact O-N 3.35Å; N197-V247 WeakPolarHBondContact CB-O 3.37Å; N197-V247 PolarHBondContact ND2-O 3.24Å; N197-V247 PolarHBondContact OD1-O 3.01Å; N197-V248 HydrophobicContact CB-CG1 4.47Å |
| 198 | A | 78.5 | Confident | 93.5 | Very high | 40 Ų | 40 | 32.1 Ų | 32.1 | 33% | 0.331 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.4 | 33.5 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | G96 E194 R200 | G96-A198 WeakPolarHBondContact O-CA 3.43Å; E194-A198 PolarHBondContact O-N 3.33Å; A198-R200 PolarHBondContact O-N 3.44Å; A198-R200 VanDerWaalsContact O-N 3.15Å |
| 199 | G | 83.5 | Confident | 93.3 | Very high | 7 Ų | 7 | 34 Ų | 34 | 7% | 0.072 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | 19.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | E194 N197 | E194-G199 WeakPolarHBondContact O-CA 2.96Å; E194-G199 PolarHBondContact O-N 2.81Å; N197-G199 PolarHBondContact O-N 3.34Å |
| 200 | R | 89.8 | Confident | 93.1 | Very high | 181 Ų | 181 | 35.4 Ų | 35.4 | 68% | 0.683 | 19% | 0.19 | S | C | * | . | trans | -93.4 | 121.5 | 177.4 | -67.3 | -175.3 | -176.8 | -176 | 1.7 | 109.6 | E194 N197 A198 L202 | E194-R200 WeakPolarHBondContact CG-O 3.44Å; N197-R200 PolarHBondContact O-N 3.35Å; A198-R200 PolarHBondContact O-N 3.44Å; A198-R200 VanDerWaalsContact O-N 3.15Å; R200-L202 PolarHBondContact O-N 2.99Å | ||
| 201 | P | 93.7 | Very high | 92.9 | Very high | 39 Ų | 39 | 35.3 Ų | 35.3 | 25% | 0.253 | 19% | 0.19 | S | C | . | . | trans | -51.8 | 132.7 | 179.8 | -27.3 | 33.9 | 0 | 0 | 0 | 112.5 | W166 E194 F203 P204 | W166-P201 HydrophobicContact CE3-CB 3.95Å; W166-P201 HydrophobicContact CE3-CG 3.7Å; W166-P201 HydrophobicContact CZ3-CB 4.45Å; W166-P201 HydrophobicContact CZ3-CG 3.77Å; E194-P201 WeakPolarHBondContact OE1-CA 3.48Å; P201-F203 VanDerWaalsContact C-N 3.33Å; P201-F203 PolarHBondContact O-N 2.84Å; P201-P204 HydrophobicContact CB-CB 4.29Å; P201-P204 WeakPolarHBondContact O-CD 3.47Å | ||
| 202 | L | 94.7 | Very high | 92.7 | Very high | 20 Ų | 20 | 35.4 Ų | 35.4 | 11% | 0.105 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -65.1 | -39.3 | -179.5 | -179.8 | 59.9 | 0 | 0 | 0 | 111.7 | A193 R200 Y218 V247 L263 | A193-L202 HydrophobicContact CB-CB 4.03Å; A193-L202 HydrophobicContact CB-CD1 4.34Å; A193-L202 HydrophobicContact CB-CD2 3.71Å; A193-L202 HydrophobicContact CB-CG 4.24Å; R200-L202 PolarHBondContact O-N 2.99Å; L202-Y218 HydrophobicContact CD1-CE1 4.38Å; L202-V247 HydrophobicContact CD1-CG1 3.41Å; L202-V247 VanDerWaalsContact CD1-CG1 3.41Å; L202-L263 HydrophobicContact CD2-CD1 3.62Å |
| 203 | F | 95.3 | Very high | 92.4 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | trans | -129.1 | 79 | -177.7 | -50.5 | -59.7 | 0 | 0 | 0 | 111 | W166 W186 P201 G205 Q211 R214 I215 Y218 F220 | W166-F203 WeakPolarHBondContact CA-O 3.44Å; W166-F203 WeakPolarHBondContact CB-O 3.49Å; W186-F203 HydrophobicContact CH2-CE2 4.34Å; W186-F203 HydrophobicContact CZ2-CD2 4.2Å; W186-F203 AromaticContact CZ2-CE2 3.67Å; W186-F203 HydrophobicContact CZ2-CE2 3.67Å; W186-F203 HydrophobicContact CZ2-CZ 4.4Å; P201-F203 VanDerWaalsContact C-N 3.33Å; P201-F203 PolarHBondContact O-N 2.84Å; F203-G205 VanDerWaalsContact C-N 3.3Å; F203-G205 PolarHBondContact O-N 3.28Å; F203-G205 VanDerWaalsContact O-N 3.08Å; F203-Q211 PolarHBondContact O-NE2 3.39Å; F203-Q211 PolarHBondContact O-OE1 2.76Å; F203-R214 HydrophobicContact CD1-CB 4.2Å; F203-I215 HydrophobicContact CB-CG1 4.42Å; F203-I215 HydrophobicContact CD1-CG1 3.95Å; F203-I215 HydrophobicContact CD2-CG1 3.92Å; F203-I215 HydrophobicContact CE1-CB 4.48Å; F203-I215 HydrophobicContact CE1-CG1 4.12Å; F203-I215 HydrophobicContact CE2-CG1 4.1Å; F203-I215 HydrophobicContact CG-CG1 3.84Å; F203-I215 HydrophobicContact CZ-CG1 4.19Å; F203-Y218 HydrophobicContact CD1-CE2 4.29Å; F203-Y218 AromaticContact CE1-CD2 3.65Å; F203-Y218 HydrophobicContact CE1-CD2 3.65Å; F203-Y218 AromaticContact CE1-CE2 3.56Å; F203-Y218 HydrophobicContact CE1-CE2 3.56Å; F203-Y218 HydrophobicContact CE1-CG 4.46Å; F203-Y218 HydrophobicContact CZ-CD2 4.37Å; F203-F220 HydrophobicContact CZ-CE2 4.17Å | ||
| 204 | P | 95.3 | Very high | 92.2 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 29% | 0.292 | 22% | 0.217 | S | C | . | . | trans | -85.8 | 70.3 | 178 | 33.4 | -31.8 | 0 | 0 | 0 | 110.4 | W166 P201 R214 | W166-P204 HydrophobicContact CD2-CB 4.47Å; W166-P204 HydrophobicContact CZ2-CB 4.49Å; P201-P204 HydrophobicContact CB-CB 4.29Å; P201-P204 WeakPolarHBondContact O-CD 3.47Å; P204-R214 PolarHBondContact O-NE 3.18Å; P204-R214 PolarHBondContact O-NH2 3.46Å | ||
| 205 | G | 95.8 | Very high | 92 | Very high | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | trans | -73.6 | 143.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | L165 W166 F203 D210 | L165-G205 WeakPolarHBondContact CD2-O 3.26Å; W166-G205 PolarHBondContact NE1-O 3.5Å; F203-G205 VanDerWaalsContact C-N 3.3Å; F203-G205 PolarHBondContact O-N 3.28Å; F203-G205 VanDerWaalsContact O-N 3.08Å; G205-D210 WeakPolarHBondContact CA-OD2 3.4Å | ||
| 206 | N | 93.6 | Very high | 91.7 | Very high | 137 Ų | 137 | 42.2 Ų | 42.2 | 73% | 0.733 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -82.1 | -28.9 | 175.3 | -65.3 | -40.7 | 0 | 0 | 0 | 113 | D210 | N206-D210 PolarHBondContact N-OD2 3.35Å; N206-D210 VanDerWaalsContact N-OD2 3.1Å |
| 207 | D | 94.2 | Very high | 91.3 | Very high | 83 Ų | 83 | 48.1 Ų | 48.1 | 44% | 0.444 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -148.5 | 177.8 | 177.8 | 59.8 | 52.4 | 0 | 0 | 0 | 109.8 | D209 D210 Q211 | D207-D209 PolarHBondContact O-N 3.23Å; D207-D209 WeakPolarHBondContact OD1-CA 3.41Å; D207-D209 WeakPolarHBondContact OD1-CB 3.42Å; D207-D209 PolarHBondContact OD1-N 3.49Å; D207-D210 PolarHBondContact O-N 3.14Å; D207-D210 PolarHBondContact OD1-N 3.37Å; D207-Q211 VanDerWaalsContact O-CB 3.25Å; D207-Q211 WeakPolarHBondContact O-CB 3.21Å; D207-Q211 PolarHBondContact O-N 2.99Å |
| 208 | V | 93.3 | Very high | 90.9 | Very high | 60 Ų | 60 | 47.1 Ų | 47.1 | 36% | 0.364 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.3 | -36.8 | -179.1 | 173.1 | 0 | 0 | 0 | 0 | 112 | L165 L173 L212 | L165-V208 HydrophobicContact CD1-CG2 4.24Å; L173-V208 HydrophobicContact CB-CG1 4.31Å; L173-V208 HydrophobicContact CD2-CB 4.39Å; L173-V208 HydrophobicContact CD2-CG1 3.96Å; L173-V208 HydrophobicContact CD2-CG2 4.23Å; L173-V208 WeakPolarHBondContact O-CG1 3.49Å; V208-L212 HydrophobicContact CG1-CD1 4.12Å; V208-L212 WeakPolarHBondContact O-CG 3.22Å; V208-L212 PolarHBondContact O-N 3.24Å; V208-L212 VanDerWaalsContact O-N 3.1Å |
| 209 | D | 93 | Very high | 90.5 | Very high | 40 Ų | 40 | 48.5 Ų | 48.5 | 21% | 0.214 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71 | -48.1 | -178.7 | -177 | 66.9 | 0 | 0 | 0 | 111.7 | D207 Q211 L212 K213 K233 Y235 | D207-D209 PolarHBondContact O-N 3.23Å; D207-D209 WeakPolarHBondContact OD1-CA 3.41Å; D207-D209 WeakPolarHBondContact OD1-CB 3.42Å; D207-D209 PolarHBondContact OD1-N 3.49Å; D209-Q211 VanDerWaalsContact C-N 3.32Å; D209-Q211 PolarHBondContact O-N 3.48Å; D209-L212 PolarHBondContact O-N 3.23Å; D209-K213 VanDerWaalsContact O-CG 3.3Å; D209-K213 WeakPolarHBondContact O-CG 3.35Å; D209-K213 PolarHBondContact O-N 3.09Å; D209-K213 WeakPolarHBondContact OD2-CE 3.32Å; D209-K213 IonicContact OD2-NZ 3.3Å; D209-K213 PolarHBondContact OD2-NZ 2.88Å; D209-K233 WeakPolarHBondContact OD1-CE 3.42Å; D209-K233 IonicContact OD1-NZ 3.51Å; D209-K233 PolarHBondContact OD1-NZ 3.33Å; D209-Y235 PolarHBondContact OD1-OH 3.43Å |
| 210 | D | 93.9 | Very high | 89.9 | Confident | 29 Ų | 29 | 48.5 Ų | 48.5 | 16% | 0.155 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.8 | -40 | 175.1 | -173.6 | 40.1 | 0 | 0 | 0 | 111.5 | G205 N206 D207 L212 K213 R214 | G205-D210 WeakPolarHBondContact CA-OD2 3.4Å; N206-D210 PolarHBondContact N-OD2 3.35Å; N206-D210 VanDerWaalsContact N-OD2 3.1Å; D207-D210 PolarHBondContact O-N 3.14Å; D207-D210 PolarHBondContact OD1-N 3.37Å; D210-L212 PolarHBondContact O-N 3.33Å; D210-K213 PolarHBondContact O-N 2.93Å; D210-R214 VanDerWaalsContact CG-NE 3.34Å; D210-R214 VanDerWaalsContact O-CG 3.28Å; D210-R214 WeakPolarHBondContact O-CG 3.49Å; D210-R214 PolarHBondContact O-N 2.77Å; D210-R214 IonicContact OD1-CZ 3.02Å; D210-R214 IonicContact OD1-NE 3.5Å; D210-R214 PolarHBondContact OD1-NE 3.26Å; D210-R214 IonicContact OD1-NH2 2.63Å; D210-R214 IonicContact OD2-CZ 2.75Å; D210-R214 IonicContact OD2-NE 2.74Å; D210-R214 PolarHBondContact OD2-NE 3.46Å; D210-R214 IonicContact OD2-NH2 2.72Å; D210-R214 PolarHBondContact OD2-NH2 2.92Å |
| 211 | Q | 94.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.1 | -50.3 | 175.6 | -173.6 | 66.3 | 16.6 | 0 | 0 | 111.4 | L165 W166 L173 F203 D207 D209 R214 I215 | L165-Q211 HydrophobicContact CD1-CB 4.03Å; L165-Q211 HydrophobicContact CD1-CG 4.08Å; L165-Q211 HydrophobicContact CG-CB 4.31Å; L165-Q211 HydrophobicContact CG-CG 4.33Å; L165-Q211 PolarHBondContact O-NE2 3.05Å; W166-Q211 PolarHBondContact O-NE2 3.17Å; L173-Q211 HydrophobicContact CD1-CB 4.37Å; L173-Q211 HydrophobicContact CD1-CG 3.61Å; L173-Q211 HydrophobicContact CD2-CB 4.34Å; L173-Q211 HydrophobicContact CD2-CG 4.04Å; F203-Q211 PolarHBondContact O-NE2 3.39Å; F203-Q211 PolarHBondContact O-OE1 2.76Å; D207-Q211 VanDerWaalsContact O-CB 3.25Å; D207-Q211 WeakPolarHBondContact O-CB 3.21Å; D207-Q211 PolarHBondContact O-N 2.99Å; D209-Q211 VanDerWaalsContact C-N 3.32Å; D209-Q211 PolarHBondContact O-N 3.48Å; Q211-R214 PolarHBondContact O-N 3.3Å; Q211-I215 HydrophobicContact CG-CD1 4.1Å; Q211-I215 VanDerWaalsContact O-CG1 3.32Å; Q211-I215 WeakPolarHBondContact O-CG1 3.18Å; Q211-I215 PolarHBondContact O-N 3.38Å |
| 212 | L | 92.9 | Very high | 87.8 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.6 | -41 | 177.4 | -77.1 | 167.7 | 0 | 0 | 0 | 112.2 | P170 L173 F174 V208 D209 D210 R214 I215 F216 Y235 | P170-L212 HydrophobicContact CB-CD2 4.28Å; L173-L212 HydrophobicContact CB-CD1 4.08Å; L173-L212 HydrophobicContact CB-CD2 3.8Å; L173-L212 HydrophobicContact CB-CG 3.92Å; L173-L212 HydrophobicContact CD1-CD2 3.9Å; L173-L212 HydrophobicContact CD1-CG 4.06Å; L173-L212 HydrophobicContact CG-CD2 4.49Å; F174-L212 HydrophobicContact CD1-CD1 3.97Å; F174-L212 HydrophobicContact CD2-CD2 4.26Å; F174-L212 HydrophobicContact CE1-CD1 3.62Å; F174-L212 HydrophobicContact CE1-CD2 4.46Å; F174-L212 HydrophobicContact CE2-CD1 4.43Å; F174-L212 HydrophobicContact CE2-CD2 3.82Å; F174-L212 HydrophobicContact CZ-CD1 3.86Å; F174-L212 HydrophobicContact CZ-CD2 3.93Å; F174-L212 HydrophobicContact CZ-CG 4.5Å; V208-L212 HydrophobicContact CG1-CD1 4.12Å; V208-L212 WeakPolarHBondContact O-CG 3.22Å; V208-L212 PolarHBondContact O-N 3.24Å; V208-L212 VanDerWaalsContact O-N 3.1Å; D209-L212 PolarHBondContact O-N 3.23Å; D210-L212 PolarHBondContact O-N 3.33Å; L212-R214 VanDerWaalsContact C-N 3.3Å; L212-R214 PolarHBondContact O-N 3.44Å; L212-I215 PolarHBondContact O-N 2.92Å; L212-F216 HydrophobicContact CB-CD2 4.49Å; L212-F216 HydrophobicContact CB-CE2 4.03Å; L212-F216 HydrophobicContact CD2-CE2 3.99Å; L212-F216 HydrophobicContact CD2-CZ 3.75Å; L212-F216 WeakPolarHBondContact O-CD2 3.4Å; L212-F216 WeakPolarHBondContact O-CG 3.4Å; L212-F216 PolarHBondContact O-N 3.35Å; L212-Y235 HydrophobicContact CB-CE1 3.76Å; L212-Y235 HydrophobicContact CB-CE2 4.19Å; L212-Y235 WeakPolarHBondContact CB-OH 2.87Å; L212-Y235 HydrophobicContact CD1-CE2 3.92Å; L212-Y235 WeakPolarHBondContact CD1-OH 3.44Å |
| 213 | K | 90.7 | Very high | 87.1 | Confident | 74 Ų | 74 | 46.4 Ų | 46.4 | 32% | 0.322 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -58.1 | -41.3 | 174.6 | -72.9 | 173.5 | 174.4 | 160.7 | 0 | 111.9 | D209 D210 R217 Y235 Y238 | D209-K213 VanDerWaalsContact O-CG 3.3Å; D209-K213 WeakPolarHBondContact O-CG 3.35Å; D209-K213 PolarHBondContact O-N 3.09Å; D209-K213 WeakPolarHBondContact OD2-CE 3.32Å; D209-K213 IonicContact OD2-NZ 3.3Å; D209-K213 PolarHBondContact OD2-NZ 2.88Å; D210-K213 PolarHBondContact O-N 2.93Å; K213-R217 WeakPolarHBondContact O-CG 3.43Å; K213-Y235 HydrophobicContact CG-CD1 4.07Å; K213-Y235 HydrophobicContact CG-CE1 3.82Å; K213-Y238 WeakPolarHBondContact CG-OH 3.34Å |
| 214 | R | 91.6 | Very high | 86.3 | Confident | 68 Ų | 68 | 54.3 Ų | 54.3 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.9 | -45.1 | 177.9 | -71 | 166.8 | -174.5 | -89.7 | 3.5 | 111.6 | F203 P204 D210 Q211 L212 F216 R217 Y218 | F203-R214 HydrophobicContact CD1-CB 4.2Å; P204-R214 PolarHBondContact O-NE 3.18Å; P204-R214 PolarHBondContact O-NH2 3.46Å; D210-R214 VanDerWaalsContact CG-NE 3.34Å; D210-R214 VanDerWaalsContact O-CG 3.28Å; D210-R214 WeakPolarHBondContact O-CG 3.49Å; D210-R214 PolarHBondContact O-N 2.77Å; D210-R214 IonicContact OD1-CZ 3.02Å; D210-R214 IonicContact OD1-NE 3.5Å; D210-R214 PolarHBondContact OD1-NE 3.26Å; D210-R214 IonicContact OD1-NH2 2.63Å; D210-R214 IonicContact OD2-CZ 2.75Å; D210-R214 IonicContact OD2-NE 2.74Å; D210-R214 PolarHBondContact OD2-NE 3.46Å; D210-R214 IonicContact OD2-NH2 2.72Å; D210-R214 PolarHBondContact OD2-NH2 2.92Å; Q211-R214 PolarHBondContact O-N 3.3Å; L212-R214 VanDerWaalsContact C-N 3.3Å; L212-R214 PolarHBondContact O-N 3.44Å; R214-F216 PolarHBondContact O-N 3.1Å; R214-R217 PolarHBondContact O-N 3.49Å; R214-Y218 WeakPolarHBondContact O-CD2 3.38Å |
| 215 | I | 91.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 178.7 | -67.6 | 165.9 | 0 | 0 | 0 | 111.1 | P170 L173 W186 F203 Q211 L212 R217 Y218 | P170-I215 HydrophobicContact CG-CD1 4.29Å; P170-I215 HydrophobicContact CG-CG2 3.93Å; L173-I215 HydrophobicContact CD1-CD1 3.65Å; W186-I215 HydrophobicContact CH2-CD1 4.43Å; W186-I215 HydrophobicContact CH2-CG1 4.41Å; W186-I215 HydrophobicContact CH2-CG2 3.59Å; W186-I215 HydrophobicContact CZ2-CD1 3.75Å; W186-I215 HydrophobicContact CZ2-CG1 3.9Å; W186-I215 HydrophobicContact CZ2-CG2 3.96Å; F203-I215 HydrophobicContact CB-CG1 4.42Å; F203-I215 HydrophobicContact CD1-CG1 3.95Å; F203-I215 HydrophobicContact CD2-CG1 3.92Å; F203-I215 HydrophobicContact CE1-CB 4.48Å; F203-I215 HydrophobicContact CE1-CG1 4.12Å; F203-I215 HydrophobicContact CE2-CG1 4.1Å; F203-I215 HydrophobicContact CG-CG1 3.84Å; F203-I215 HydrophobicContact CZ-CG1 4.19Å; Q211-I215 HydrophobicContact CG-CD1 4.1Å; Q211-I215 VanDerWaalsContact O-CG1 3.32Å; Q211-I215 WeakPolarHBondContact O-CG1 3.18Å; Q211-I215 PolarHBondContact O-N 3.38Å; L212-I215 PolarHBondContact O-N 2.92Å; I215-R217 PolarHBondContact O-N 3.27Å; I215-Y218 PolarHBondContact O-N 3.47Å |
| 216 | F | 87.9 | Confident | 85.3 | Confident | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.022 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -5.9 | -175.7 | -62.6 | -34.7 | 0 | 0 | 0 | 115.6 | F174 L212 R214 Y218 R221 M226 Y235 Y238 | F174-F216 HydrophobicContact CE2-CE2 4.24Å; F174-F216 AromaticContact CE2-CZ 3.64Å; F174-F216 HydrophobicContact CE2-CZ 3.64Å; F174-F216 AromaticContact CZ-CE2 3.9Å; F174-F216 HydrophobicContact CZ-CE2 3.9Å; F174-F216 AromaticContact CZ-CZ 3.78Å; F174-F216 HydrophobicContact CZ-CZ 3.78Å; L212-F216 HydrophobicContact CB-CD2 4.49Å; L212-F216 HydrophobicContact CB-CE2 4.03Å; L212-F216 HydrophobicContact CD2-CE2 3.99Å; L212-F216 HydrophobicContact CD2-CZ 3.75Å; L212-F216 WeakPolarHBondContact O-CD2 3.4Å; L212-F216 WeakPolarHBondContact O-CG 3.4Å; L212-F216 PolarHBondContact O-N 3.35Å; R214-F216 PolarHBondContact O-N 3.1Å; F216-Y218 PolarHBondContact O-N 2.9Å; F216-R221 HydrophobicContact CD1-CG 3.88Å; F216-R221 HydrophobicContact CE1-CG 4.18Å; F216-M226 HydrophobicContact CE1-SD 4.22Å; F216-M226 HydrophobicContact CZ-CE 4.17Å; F216-M226 HydrophobicContact CZ-SD 3.98Å; F216-Y235 AromaticContact CD2-CD1 3.93Å; F216-Y235 HydrophobicContact CD2-CD1 3.93Å; F216-Y235 HydrophobicContact CD2-CD2 4.21Å; F216-Y235 AromaticContact CD2-CG 3.72Å; F216-Y235 HydrophobicContact CD2-CG 3.72Å; F216-Y235 HydrophobicContact CE2-CD1 4.15Å; F216-Y235 AromaticContact CE2-CD2 3.69Å; F216-Y235 HydrophobicContact CE2-CD2 3.69Å; F216-Y235 HydrophobicContact CE2-CE2 4.16Å; F216-Y235 AromaticContact CE2-CG 3.69Å; F216-Y235 HydrophobicContact CE2-CG 3.69Å; F216-Y238 HydrophobicContact CB-CD2 3.55Å; F216-Y238 HydrophobicContact CB-CE2 3.85Å; F216-Y238 VanDerWaalsContact O-CB 3.32Å; F216-Y238 WeakPolarHBondContact O-CB 3.46Å |
| 217 | R | 84.6 | Confident | 85 | Confident | 125 Ų | 125 | 53.3 Ų | 53.3 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -7.4 | 168.8 | -69.3 | 174.2 | -174.7 | -171.6 | 1.2 | 113.5 | K213 R214 I215 Y238 T242 | K213-R217 WeakPolarHBondContact O-CG 3.43Å; R214-R217 PolarHBondContact O-N 3.49Å; I215-R217 PolarHBondContact O-N 3.27Å; R217-Y238 HydrophobicContact CG-CD1 3.98Å; R217-Y238 HydrophobicContact CG-CE1 4.41Å; R217-Y238 HydrophobicContact CG-CG 4.24Å; R217-T242 WeakPolarHBondContact O-CB 3.36Å; R217-T242 PolarHBondContact O-OG1 3Å |
| 218 | Y | 81.1 | Confident | 84.7 | Confident | 30 Ų | 30 | 57.7 Ų | 57.7 | 12% | 0.118 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -110.3 | 155.4 | -177.1 | -66.5 | -97.4 | 0 | 0 | 0 | 111.6 | L202 F203 R214 I215 F216 F220 T242 L244 V247 | L202-Y218 HydrophobicContact CD1-CE1 4.38Å; F203-Y218 HydrophobicContact CD1-CE2 4.29Å; F203-Y218 AromaticContact CE1-CD2 3.65Å; F203-Y218 HydrophobicContact CE1-CD2 3.65Å; F203-Y218 AromaticContact CE1-CE2 3.56Å; F203-Y218 HydrophobicContact CE1-CE2 3.56Å; F203-Y218 HydrophobicContact CE1-CG 4.46Å; F203-Y218 HydrophobicContact CZ-CD2 4.37Å; R214-Y218 WeakPolarHBondContact O-CD2 3.38Å; I215-Y218 PolarHBondContact O-N 3.47Å; F216-Y218 PolarHBondContact O-N 2.9Å; Y218-F220 AromaticContact CD1-CE2 3.95Å; Y218-F220 HydrophobicContact CD1-CE2 3.95Å; Y218-F220 HydrophobicContact CD1-CZ 4.26Å; Y218-F220 HydrophobicContact CG-CD2 4.18Å; Y218-F220 AromaticContact CG-CE2 3.7Å; Y218-F220 HydrophobicContact CG-CE2 3.7Å; Y218-F220 HydrophobicContact CG-CZ 4.42Å; Y218-F220 PolarHBondContact O-N 2.86Å; Y218-T242 HydrophobicContact CD1-CG2 4.16Å; Y218-T242 HydrophobicContact CE1-CG2 3.71Å; Y218-L244 HydrophobicContact CD1-CD2 3.84Å; Y218-L244 HydrophobicContact CE1-CD2 3.95Å; Y218-V247 HydrophobicContact CE1-CG1 4.22Å; Y218-V247 HydrophobicContact CE1-CG2 3.96Å |
| 219 | P | 68.4 | Low | 84.6 | Confident | 70 Ų | 70 | 56.3 Ų | 56.3 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 21.4 | -176.5 | 28.4 | -36.6 | 0 | 0 | 0 | 115.4 | R221 A240 | P219-R221 VanDerWaalsContact C-N 3.3Å; P219-R221 PolarHBondContact O-N 2.96Å; P219-A240 HydrophobicContact CB-CB 4.04Å |
| 220 | F | 70.6 | Confident | 84.5 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -1.4 | -172.7 | -55.9 | -43.4 | 0 | 0 | 0 | 114.5 | F203 Y218 D222 L244 Q260 L263 C265 | F203-F220 HydrophobicContact CZ-CE2 4.17Å; Y218-F220 AromaticContact CD1-CE2 3.95Å; Y218-F220 HydrophobicContact CD1-CE2 3.95Å; Y218-F220 HydrophobicContact CD1-CZ 4.26Å; Y218-F220 HydrophobicContact CG-CD2 4.18Å; Y218-F220 AromaticContact CG-CE2 3.7Å; Y218-F220 HydrophobicContact CG-CE2 3.7Å; Y218-F220 HydrophobicContact CG-CZ 4.42Å; Y218-F220 PolarHBondContact O-N 2.86Å; F220-D222 PolarHBondContact O-N 2.94Å; F220-L244 HydrophobicContact CE1-CD1 4.19Å; F220-L244 HydrophobicContact CZ-CD1 4.18Å; F220-L244 HydrophobicContact CZ-CD2 4.04Å; F220-Q260 HydrophobicContact CE1-CG 4.13Å; F220-L263 WeakPolarHBondContact CB-O 3.35Å; F220-L263 HydrophobicContact CD1-CB 4.18Å; F220-L263 HydrophobicContact CD2-CB 4.19Å; F220-L263 HydrophobicContact CE1-CB 3.97Å; F220-L263 HydrophobicContact CE2-CB 3.99Å; F220-L263 HydrophobicContact CE2-CD1 3.9Å; F220-L263 HydrophobicContact CG-CB 4.29Å; F220-L263 WeakPolarHBondContact CG-O 3.45Å; F220-L263 HydrophobicContact CZ-CB 3.87Å; F220-L263 HydrophobicContact CZ-CD1 3.79Å; F220-C265 VanDerWaalsContact C-SG 3.58Å; F220-C265 WeakPolarHBondContact O-CB 3.15Å; F220-C265 PolarHBondContact O-N 3.15Å; F220-C265 VanDerWaalsContact O-N 3.07Å; F220-C265 PolarHBondContact O-SG 3.22Å |
| 221 | R | 67.8 | Low | 84.4 | Confident | 68 Ų | 68 | 62 Ų | 62 | 26% | 0.257 | 30% | 0.304 | S | S | . | . | trans | -86.7 | 15.7 | -159.3 | -151.5 | -166.3 | -169.1 | -156.4 | 6.2 | 116.3 | F216 P219 W223 Y235 | F216-R221 HydrophobicContact CD1-CG 3.88Å; F216-R221 HydrophobicContact CE1-CG 4.18Å; P219-R221 VanDerWaalsContact C-N 3.3Å; P219-R221 PolarHBondContact O-N 2.96Å; R221-W223 PolarHBondContact O-N 2.61Å; R221-Y235 PolarHBondContact NH2-O 3.08Å | ||
| 222 | D | 72.2 | Confident | 84.2 | Confident | 105 Ų | 105 | 65.4 Ų | 65.4 | 56% | 0.561 | 32% | 0.318 | S | S | * | . | trans | -73 | 76 | 178.7 | -170.1 | 16.7 | 0 | 0 | 0 | 111.3 | F220 Q269 | F220-D222 PolarHBondContact O-N 2.94Å; D222-Q269 PolarHBondContact O-OE1 2.7Å | ||
| 223 | W | 80.9 | Confident | 84 | Confident | 22 Ų | 22 | 69.6 Ų | 69.6 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | trans | -144.3 | 89.3 | -175.8 | -168.4 | 21.6 | 0 | 0 | 0 | 113 | D171 R221 T225 M226 L229 C265 N266 P267 | D171-W223 HydrophobicContact CB-CH2 3.41Å; D171-W223 VanDerWaalsContact CB-CH2 3.41Å; D171-W223 HydrophobicContact CB-CZ2 4.4Å; D171-W223 HydrophobicContact CB-CZ3 3.92Å; R221-W223 PolarHBondContact O-N 2.61Å; W223-T225 PolarHBondContact NE1-OG1 3.1Å; W223-T225 PolarHBondContact O-N 3.44Å; W223-M226 HydrophobicContact CB-CB 4.37Å; W223-M226 HydrophobicContact CD2-CB 3.63Å; W223-M226 HydrophobicContact CD2-CG 4.09Å; W223-M226 HydrophobicContact CD2-SD 4.48Å; W223-M226 HydrophobicContact CE3-CB 3.61Å; W223-M226 HydrophobicContact CE3-CG 3.51Å; W223-M226 HydrophobicContact CE3-SD 3.68Å; W223-M226 HydrophobicContact CG-CB 3.98Å; W223-M226 HydrophobicContact CZ3-CB 4.16Å; W223-M226 HydrophobicContact CZ3-CG 3.76Å; W223-M226 HydrophobicContact CZ3-SD 4.23Å; W223-M226 WeakPolarHBondContact O-CB 3.42Å; W223-M226 PolarHBondContact O-N 3.33Å; W223-L229 HydrophobicContact CH2-CD1 3.21Å; W223-L229 HydrophobicContact CH2-CD2 4.17Å; W223-L229 HydrophobicContact CH2-CG 4.12Å; W223-L229 HydrophobicContact CZ2-CD1 3.95Å; W223-L229 HydrophobicContact CZ2-CD2 4.43Å; W223-L229 HydrophobicContact CZ2-CG 4.47Å; W223-L229 HydrophobicContact CZ3-CD1 3.62Å; W223-C265 HydrophobicContact CE3-CB 4.41Å; W223-N266 HydrophobicContact CB-CB 3.96Å; W223-N266 VanDerWaalsContact CD1-CG 3.44Å; W223-N266 HydrophobicContact CD2-CB 4.21Å; W223-N266 HydrophobicContact CG-CB 3.67Å; W223-P267 HydrophobicContact CZ2-CG 4.31Å | ||
| 224 | Q | 78.9 | Confident | 83.8 | Confident | 168 Ų | 168 | 71.4 Ų | 71.4 | 79% | 0.785 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -67.5 | -34 | -177.1 | -63.5 | -180 | -0.7 | 0 | 0 | 113.8 | M226 | Q224-M226 VanDerWaalsContact C-N 3.26Å; Q224-M226 PolarHBondContact O-N 2.8Å |
| 225 | T | 83.3 | Confident | 83.4 | Confident | 74 Ų | 74 | 69 Ų | 69 | 45% | 0.454 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -84.3 | 3.1 | -176.5 | 66.7 | 0 | 0 | 0 | 0 | 113.9 | W223 T227 K228 | W223-T225 PolarHBondContact NE1-OG1 3.1Å; W223-T225 PolarHBondContact O-N 3.44Å; T225-T227 PolarHBondContact O-N 2.88Å; T225-K228 WeakPolarHBondContact O-CB 3.16Å; T225-K228 PolarHBondContact O-N 3.32Å; T225-K228 VanDerWaalsContact O-N 3.11Å |
| 226 | M | 86.1 | Confident | 82.8 | Confident | 9 Ų | 9 | 72.6 Ų | 72.6 | 4% | 0.044 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -58.3 | -29.7 | 178 | -170.1 | 171.8 | 77.3 | 0 | 0 | 112.7 | F174 F216 W223 Q224 K228 L229 Y232 | F174-M226 HydrophobicContact CD2-CG 3.89Å; F174-M226 HydrophobicContact CD2-SD 4.2Å; F174-M226 HydrophobicContact CE2-CE 4.19Å; F174-M226 HydrophobicContact CE2-CG 3.66Å; F174-M226 HydrophobicContact CE2-SD 3.48Å; F174-M226 WeakPolarHBondContact CE2-SD 3.17Å; F174-M226 HydrophobicContact CZ-CE 4.44Å; F174-M226 HydrophobicContact CZ-SD 4.28Å; F216-M226 HydrophobicContact CE1-SD 4.22Å; F216-M226 HydrophobicContact CZ-CE 4.17Å; F216-M226 HydrophobicContact CZ-SD 3.98Å; W223-M226 HydrophobicContact CB-CB 4.37Å; W223-M226 HydrophobicContact CD2-CB 3.63Å; W223-M226 HydrophobicContact CD2-CG 4.09Å; W223-M226 HydrophobicContact CD2-SD 4.48Å; W223-M226 HydrophobicContact CE3-CB 3.61Å; W223-M226 HydrophobicContact CE3-CG 3.51Å; W223-M226 HydrophobicContact CE3-SD 3.68Å; W223-M226 HydrophobicContact CG-CB 3.98Å; W223-M226 HydrophobicContact CZ3-CB 4.16Å; W223-M226 HydrophobicContact CZ3-CG 3.76Å; W223-M226 HydrophobicContact CZ3-SD 4.23Å; W223-M226 WeakPolarHBondContact O-CB 3.42Å; W223-M226 PolarHBondContact O-N 3.33Å; Q224-M226 VanDerWaalsContact C-N 3.26Å; Q224-M226 PolarHBondContact O-N 2.8Å; M226-K228 PolarHBondContact O-N 3.16Å; M226-K228 VanDerWaalsContact O-N 3.16Å; M226-L229 HydrophobicContact CG-CD1 3.97Å; M226-L229 WeakPolarHBondContact O-CB 3.44Å; M226-L229 WeakPolarHBondContact O-CD1 3.45Å; M226-L229 WeakPolarHBondContact O-CG 3.39Å; M226-L229 PolarHBondContact O-N 2.84Å; M226-Y232 HydrophobicContact CE-CD2 4.42Å; M226-Y232 HydrophobicContact CE-CE2 3.77Å; M226-Y232 HydrophobicContact CG-CD2 4.09Å; M226-Y232 HydrophobicContact CG-CE2 4.28Å; M226-Y232 WeakPolarHBondContact O-CD2 3.22Å |
| 227 | T | 87.5 | Confident | 82 | Confident | 80 Ų | 80 | 80.6 Ų | 80.6 | 49% | 0.491 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -63.3 | -16.2 | 177.9 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | T225 Y232 | T225-T227 PolarHBondContact O-N 2.88Å; T227-Y232 HydrophobicContact CG2-CE1 3.92Å; T227-Y232 HydrophobicContact CG2-CE2 4.19Å |
| 228 | K | 88.3 | Confident | 81.5 | Confident | 176 Ų | 176 | 77.6 Ų | 77.6 | 77% | 0.765 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -91.8 | -0.9 | -178.7 | -58 | -176.9 | -179.8 | -179.6 | 0 | 113.4 | T225 M226 | T225-K228 WeakPolarHBondContact O-CB 3.16Å; T225-K228 PolarHBondContact O-N 3.32Å; T225-K228 VanDerWaalsContact O-N 3.11Å; M226-K228 PolarHBondContact O-N 3.16Å; M226-K228 VanDerWaalsContact O-N 3.16Å |
| 229 | L | 90.1 | Very high | 80.8 | Confident | 30 Ų | 30 | 80.3 Ų | 80.3 | 16% | 0.157 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -77.2 | 149.3 | -178.1 | -64.6 | 165.6 | 0 | 0 | 0 | 111.4 | F174 A176 W223 M226 D231 Y232 | F174-L229 HydrophobicContact CB-CB 3.76Å; F174-L229 HydrophobicContact CB-CD1 3.46Å; F174-L229 VanDerWaalsContact CB-CD1 3.46Å; F174-L229 HydrophobicContact CB-CG 4.22Å; F174-L229 HydrophobicContact CD2-CD1 3.8Å; F174-L229 HydrophobicContact CG-CD1 3.99Å; A176-L229 HydrophobicContact CB-CD2 4.02Å; W223-L229 HydrophobicContact CH2-CD1 3.21Å; W223-L229 HydrophobicContact CH2-CD2 4.17Å; W223-L229 HydrophobicContact CH2-CG 4.12Å; W223-L229 HydrophobicContact CZ2-CD1 3.95Å; W223-L229 HydrophobicContact CZ2-CD2 4.43Å; W223-L229 HydrophobicContact CZ2-CG 4.47Å; W223-L229 HydrophobicContact CZ3-CD1 3.62Å; M226-L229 HydrophobicContact CG-CD1 3.97Å; M226-L229 WeakPolarHBondContact O-CB 3.44Å; M226-L229 WeakPolarHBondContact O-CD1 3.45Å; M226-L229 WeakPolarHBondContact O-CG 3.39Å; M226-L229 PolarHBondContact O-N 2.84Å; L229-D231 VanDerWaalsContact C-N 3.32Å; L229-D231 PolarHBondContact O-N 3.11Å; L229-Y232 WeakPolarHBondContact O-CB 3.27Å; L229-Y232 PolarHBondContact O-N 3.33Å |
| 230 | P | 90.8 | Very high | 80.6 | Confident | 83 Ų | 83 | 80.4 Ų | 80.4 | 54% | 0.539 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -43 | -172.2 | -29.9 | 38.5 | 0 | 0 | 0 | 114.8 | F174 G175 | F174-P230 WeakPolarHBondContact O-CD 3.4Å; G175-P230 WeakPolarHBondContact O-CG 3.32Å |
| 231 | D | 91.7 | Very high | 80.2 | Confident | 105 Ų | 105 | 85.3 Ų | 85.3 | 56% | 0.561 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | 21.6 | -174.4 | -53.5 | -39.4 | 0 | 0 | 0 | 111.8 | F174 G175 L229 K233 | F174-D231 PolarHBondContact O-N 3.24Å; G175-D231 VanDerWaalsContact CA-OD2 3.28Å; G175-D231 WeakPolarHBondContact CA-OD2 3.47Å; L229-D231 VanDerWaalsContact C-N 3.32Å; L229-D231 PolarHBondContact O-N 3.11Å; D231-K233 PolarHBondContact O-N 3.35Å |
| 232 | Y | 91 | Very high | 80.3 | Confident | 73 Ų | 73 | 84.2 Ų | 84.2 | 29% | 0.286 | 46% | 0.458 | S | S | . | . | trans | -60.5 | 134.4 | 178.5 | 174.9 | -96 | 0 | 0 | 0 | 111.2 | F174 M226 T227 L229 | F174-Y232 HydrophobicContact CE1-CD2 4.21Å; F174-Y232 HydrophobicContact CZ-CD2 4.22Å; M226-Y232 HydrophobicContact CE-CD2 4.42Å; M226-Y232 HydrophobicContact CE-CE2 3.77Å; M226-Y232 HydrophobicContact CG-CD2 4.09Å; M226-Y232 HydrophobicContact CG-CE2 4.28Å; M226-Y232 WeakPolarHBondContact O-CD2 3.22Å; T227-Y232 HydrophobicContact CG2-CE1 3.92Å; T227-Y232 HydrophobicContact CG2-CE2 4.19Å; L229-Y232 WeakPolarHBondContact O-CB 3.27Å; L229-Y232 PolarHBondContact O-N 3.33Å | ||
| 233 | K | 88.4 | Confident | 80.7 | Confident | 89 Ų | 89 | 82 Ų | 82 | 39% | 0.387 | 45% | 0.45 | S | S | . | . | trans | -135.7 | 152.5 | 166.6 | 61.3 | -175.4 | 177.9 | 179.3 | 0 | 110.5 | D209 D231 Y235 | D209-K233 WeakPolarHBondContact OD1-CE 3.42Å; D209-K233 IonicContact OD1-NZ 3.51Å; D209-K233 PolarHBondContact OD1-NZ 3.33Å; D231-K233 PolarHBondContact O-N 3.35Å; K233-Y235 HydrophobicContact CD-CE2 4.31Å; K233-Y235 VanDerWaalsContact CE-CZ 3.47Å; K233-Y235 WeakPolarHBondContact CE-OH 3.25Å; K233-Y235 HydrophobicContact CG-CD2 4.22Å; K233-Y235 HydrophobicContact CG-CE2 3.56Å; K233-Y235 WeakPolarHBondContact O-CD2 3.18Å; K233-Y235 PolarHBondContact O-N 3.39Å | ||
| 234 | P | 86.1 | Confident | 80.9 | Confident | 112 Ų | 112 | 81.4 Ų | 81.4 | 73% | 0.727 | 45% | 0.449 | S | S | * | . | trans | -60.9 | 131.3 | 175.8 | -21.2 | 32.9 | 0 | 0 | 0 | 111 | ||||
| 235 | Y | 84.1 | Confident | 81.3 | Confident | 17 Ų | 17 | 76.6 Ų | 76.6 | 7% | 0.067 | 43% | 0.431 | C | S | . | . | trans | -115.1 | 146.1 | 171 | -81.7 | -95.6 | 0 | 0 | 0 | 109.9 | F174 D209 L212 K213 F216 R221 K233 | F174-Y235 HydrophobicContact CE1-CD2 4.23Å; F174-Y235 AromaticContact CE1-CE2 3.65Å; F174-Y235 HydrophobicContact CE1-CE2 3.65Å; F174-Y235 AromaticContact CZ-CD2 3.96Å; F174-Y235 HydrophobicContact CZ-CD2 3.96Å; F174-Y235 AromaticContact CZ-CE2 3.74Å; F174-Y235 HydrophobicContact CZ-CE2 3.74Å; D209-Y235 PolarHBondContact OD1-OH 3.43Å; L212-Y235 HydrophobicContact CB-CE1 3.76Å; L212-Y235 HydrophobicContact CB-CE2 4.19Å; L212-Y235 WeakPolarHBondContact CB-OH 2.87Å; L212-Y235 HydrophobicContact CD1-CE2 3.92Å; L212-Y235 WeakPolarHBondContact CD1-OH 3.44Å; K213-Y235 HydrophobicContact CG-CD1 4.07Å; K213-Y235 HydrophobicContact CG-CE1 3.82Å; F216-Y235 AromaticContact CD2-CD1 3.93Å; F216-Y235 HydrophobicContact CD2-CD1 3.93Å; F216-Y235 HydrophobicContact CD2-CD2 4.21Å; F216-Y235 AromaticContact CD2-CG 3.72Å; F216-Y235 HydrophobicContact CD2-CG 3.72Å; F216-Y235 HydrophobicContact CE2-CD1 4.15Å; F216-Y235 AromaticContact CE2-CD2 3.69Å; F216-Y235 HydrophobicContact CE2-CD2 3.69Å; F216-Y235 HydrophobicContact CE2-CE2 4.16Å; F216-Y235 AromaticContact CE2-CG 3.69Å; F216-Y235 HydrophobicContact CE2-CG 3.69Å; R221-Y235 PolarHBondContact NH2-O 3.08Å; K233-Y235 HydrophobicContact CD-CE2 4.31Å; K233-Y235 VanDerWaalsContact CE-CZ 3.47Å; K233-Y235 WeakPolarHBondContact CE-OH 3.25Å; K233-Y235 HydrophobicContact CG-CD2 4.22Å; K233-Y235 HydrophobicContact CG-CE2 3.56Å; K233-Y235 WeakPolarHBondContact O-CD2 3.18Å; K233-Y235 PolarHBondContact O-N 3.39Å | ||
| 236 | P | 79.4 | Confident | 81.4 | Confident | 76 Ų | 76 | 79.6 Ų | 79.6 | 49% | 0.494 | 44% | 0.444 | S | S | . | . | trans | -50.2 | 147.4 | 176.1 | -24.7 | 32.9 | 0 | 0 | 0 | 112 | Y238 | P236-Y238 HydrophobicContact CB-CE1 4.47Å; P236-Y238 HydrophobicContact CB-CE2 4.23Å; P236-Y238 HydrophobicContact CG-CE2 4.48Å; P236-Y238 VanDerWaalsContact O-CD2 3.28Å; P236-Y238 WeakPolarHBondContact O-CD2 3.3Å; P236-Y238 WeakPolarHBondContact O-CE2 3.4Å; P236-Y238 PolarHBondContact O-N 3.01Å | ||
| 237 | M | 71.5 | Confident | 81.4 | Confident | 174 Ų | 174 | 80.1 Ų | 80.1 | 86% | 0.857 | 45% | 0.448 | S | S | * | . | trans | -72.2 | 99.4 | 164.9 | -70.3 | -133.4 | -71.6 | 0 | 0 | 107.9 | ||||
| 238 | Y | 72.3 | Confident | 81.6 | Confident | 61 Ų | 61 | 76.3 Ų | 76.3 | 24% | 0.239 | 43% | 0.425 | C | S | . | . | trans | -73.8 | 127.9 | 166.8 | -59.3 | -80.8 | 0 | 0 | 0 | 107.3 | K213 F216 R217 P236 A240 | K213-Y238 WeakPolarHBondContact CG-OH 3.34Å; F216-Y238 HydrophobicContact CB-CD2 3.55Å; F216-Y238 HydrophobicContact CB-CE2 3.85Å; F216-Y238 VanDerWaalsContact O-CB 3.32Å; F216-Y238 WeakPolarHBondContact O-CB 3.46Å; R217-Y238 HydrophobicContact CG-CD1 3.98Å; R217-Y238 HydrophobicContact CG-CE1 4.41Å; R217-Y238 HydrophobicContact CG-CG 4.24Å; P236-Y238 HydrophobicContact CB-CE1 4.47Å; P236-Y238 HydrophobicContact CB-CE2 4.23Å; P236-Y238 HydrophobicContact CG-CE2 4.48Å; P236-Y238 VanDerWaalsContact O-CD2 3.28Å; P236-Y238 WeakPolarHBondContact O-CD2 3.3Å; P236-Y238 WeakPolarHBondContact O-CE2 3.4Å; P236-Y238 PolarHBondContact O-N 3.01Å; Y238-A240 PolarHBondContact O-N 3.14Å | ||
| 239 | P | 67.7 | Low | 81.5 | Confident | 88 Ų | 88 | 71.9 Ų | 71.9 | 57% | 0.571 | 41% | 0.413 | S | S | * | . | trans | -60.7 | 135.6 | 172 | 28.4 | -33.5 | 0 | 0 | 0 | 107.6 | T241 | P239-T241 HydrophobicContact CB-CG2 3.76Å; P239-T241 HydrophobicContact CG-CG2 4.2Å; P239-T241 PolarHBondContact O-N 2.95Å; P239-T241 PolarHBondContact O-OG1 3.4Å | ||
| 240 | A | 64.3 | Low | 81.2 | Confident | 72 Ų | 72 | 73.2 Ų | 73.2 | 60% | 0.595 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -72.4 | 48.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P219 Y238 | P219-A240 HydrophobicContact CB-CB 4.04Å; Y238-A240 PolarHBondContact O-N 3.14Å |
| 241 | T | 61.7 | Low | 81.3 | Confident | 110 Ų | 110 | 69.6 Ų | 69.6 | 68% | 0.675 | 39% | 0.394 | S | S | * | . | trans | -91.2 | -13.5 | -170.4 | 48.8 | 0 | 0 | 0 | 0 | 112.9 | P239 S243 | P239-T241 HydrophobicContact CB-CG2 3.76Å; P239-T241 HydrophobicContact CG-CG2 4.2Å; P239-T241 PolarHBondContact O-N 2.95Å; P239-T241 PolarHBondContact O-OG1 3.4Å; T241-S243 PolarHBondContact O-N 3.46Å | ||
| 242 | T | 70.3 | Confident | 81.4 | Confident | 45 Ų | 45 | 67.4 Ų | 67.4 | 28% | 0.276 | 39% | 0.387 | S | S | . | . | trans | -75.1 | 98 | -179.9 | -46.8 | 0 | 0 | 0 | 0 | 110.1 | R217 Y218 L244 V247 | R217-T242 WeakPolarHBondContact O-CB 3.36Å; R217-T242 PolarHBondContact O-OG1 3Å; Y218-T242 HydrophobicContact CD1-CG2 4.16Å; Y218-T242 HydrophobicContact CE1-CG2 3.71Å; T242-L244 PolarHBondContact O-N 2.97Å; T242-V247 HydrophobicContact CG2-CG2 3.94Å | ||
| 243 | S | 80.9 | Confident | 81.6 | Confident | 58 Ų | 58 | 67.9 Ų | 67.9 | 41% | 0.406 | 40% | 0.401 | S | S | . | . | trans | -67.8 | 124.9 | 173.3 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | T241 V245 N246 | T241-S243 PolarHBondContact O-N 3.46Å; S243-V245 PolarHBondContact O-N 3.08Å; S243-V245 VanDerWaalsContact O-N 3.11Å; S243-V245 WeakPolarHBondContact OG-CB 3.15Å; S243-V245 WeakPolarHBondContact OG-CG2 3.33Å; S243-V245 PolarHBondContact OG-N 3.27Å; S243-N246 PolarHBondContact O-N 2.88Å | ||
| 244 | L | 84.2 | Confident | 82 | Confident | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.052 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -60 | -19.8 | 173 | -70.9 | 177.2 | 0 | 0 | 0 | 112.7 | Y218 F220 T242 N246 V247 V248 R256 Q260 | Y218-L244 HydrophobicContact CD1-CD2 3.84Å; Y218-L244 HydrophobicContact CE1-CD2 3.95Å; F220-L244 HydrophobicContact CE1-CD1 4.19Å; F220-L244 HydrophobicContact CZ-CD1 4.18Å; F220-L244 HydrophobicContact CZ-CD2 4.04Å; T242-L244 PolarHBondContact O-N 2.97Å; L244-N246 PolarHBondContact O-N 3.29Å; L244-V247 PolarHBondContact O-N 3.26Å; L244-V247 VanDerWaalsContact O-N 3.11Å; L244-V248 HydrophobicContact CB-CG2 4.19Å; L244-V248 WeakPolarHBondContact O-CG2 3.48Å; L244-V248 PolarHBondContact O-N 3.5Å; L244-R256 HydrophobicContact CB-CG 4.4Å; L244-Q260 HydrophobicContact CD1-CG 3.41Å; L244-Q260 VanDerWaalsContact CD1-CG 3.41Å |
| 245 | V | 86.8 | Confident | 82.5 | Confident | 67 Ų | 67 | 60.7 Ų | 60.7 | 41% | 0.406 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -56 | -40.2 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 111.6 | S243 P249 | S243-V245 PolarHBondContact O-N 3.08Å; S243-V245 VanDerWaalsContact O-N 3.11Å; S243-V245 WeakPolarHBondContact OG-CB 3.15Å; S243-V245 WeakPolarHBondContact OG-CG2 3.33Å; S243-V245 PolarHBondContact OG-N 3.27Å; V245-P249 WeakPolarHBondContact O-CA 3.02Å |
| 246 | N | 85.6 | Confident | 83 | Confident | 137 Ų | 137 | 62.1 Ų | 62.1 | 73% | 0.733 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -81.9 | -20.8 | -179.3 | -63.5 | -16.9 | 0 | 0 | 0 | 112.7 | S243 L244 | S243-N246 PolarHBondContact O-N 2.88Å; L244-N246 PolarHBondContact O-N 3.29Å |
| 247 | V | 86.9 | Confident | 83.8 | Confident | 20 Ų | 20 | 62 Ų | 62 | 12% | 0.121 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -90.2 | -33.7 | -175.3 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | N197 L202 Y218 T242 L244 | N197-V247 WeakPolarHBondContact CB-O 3.37Å; N197-V247 PolarHBondContact ND2-O 3.24Å; N197-V247 PolarHBondContact OD1-O 3.01Å; L202-V247 HydrophobicContact CD1-CG1 3.41Å; L202-V247 VanDerWaalsContact CD1-CG1 3.41Å; Y218-V247 HydrophobicContact CE1-CG1 4.22Å; Y218-V247 HydrophobicContact CE1-CG2 3.96Å; T242-V247 HydrophobicContact CG2-CG2 3.94Å; L244-V247 PolarHBondContact O-N 3.26Å; L244-V247 VanDerWaalsContact O-N 3.11Å |
| 248 | V | 91.1 | Very high | 85.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -132.1 | 68.6 | 178.8 | -73.8 | 0 | 0 | 0 | 0 | 109.3 | A193 A196 N197 L244 K250 L251 R256 L259 | A193-V248 HydrophobicContact CB-CG1 3.91Å; A196-V248 HydrophobicContact CB-CB 3.94Å; A196-V248 HydrophobicContact CB-CG1 3.85Å; N197-V248 HydrophobicContact CB-CG1 4.47Å; L244-V248 HydrophobicContact CB-CG2 4.19Å; L244-V248 WeakPolarHBondContact O-CG2 3.48Å; L244-V248 PolarHBondContact O-N 3.5Å; V248-K250 PolarHBondContact O-N 2.59Å; V248-K250 VanDerWaalsContact O-N 3.16Å; V248-L251 HydrophobicContact CB-CB 4.46Å; V248-L251 HydrophobicContact CB-CD1 3.92Å; V248-L251 HydrophobicContact CB-CG 4.13Å; V248-L251 HydrophobicContact CG1-CD1 4.36Å; V248-L251 HydrophobicContact CG2-CB 4.41Å; V248-L251 HydrophobicContact CG2-CD1 3.93Å; V248-L251 HydrophobicContact CG2-CG 4.41Å; V248-L251 PolarHBondContact O-N 3.37Å; V248-L251 VanDerWaalsContact O-N 3.13Å; V248-R256 HydrophobicContact CG2-CG 3.92Å; V248-L259 HydrophobicContact CB-CD2 4.43Å; V248-L259 HydrophobicContact CG1-CD2 3.91Å; V248-L259 HydrophobicContact CG2-CD2 3.79Å |
| 249 | P | 86.5 | Confident | 86.3 | Confident | 82 Ų | 82 | 50.9 Ų | 50.9 | 53% | 0.532 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | -24 | -171.4 | 26.2 | -35 | 0 | 0 | 0 | 113 | V245 L251 | V245-P249 WeakPolarHBondContact O-CA 3.02Å; P249-L251 VanDerWaalsContact C-N 3.34Å |
| 250 | K | 84.9 | Confident | 87.6 | Confident | 58 Ų | 58 | 50.3 Ų | 50.3 | 25% | 0.252 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -14.4 | 179.4 | -61.8 | -175.5 | 176.4 | -176 | 0 | 114.3 | D97 L98 A196 V248 | D97-K250 VanDerWaalsContact OD1-CE 3.3Å; D97-K250 WeakPolarHBondContact OD1-CE 3.44Å; D97-K250 IonicContact OD1-NZ 3.38Å; D97-K250 PolarHBondContact OD1-NZ 3.46Å; L98-K250 VanDerWaalsContact N-NZ 3.12Å; L98-K250 WeakPolarHBondContact O-CD 3.29Å; L98-K250 PolarHBondContact O-NZ 3.29Å; A196-K250 WeakPolarHBondContact O-CG 3.4Å; V248-K250 PolarHBondContact O-N 2.59Å; V248-K250 VanDerWaalsContact O-N 3.16Å |
| 251 | L | 92.5 | Very high | 89.1 | Confident | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -82.2 | 142 | 179.1 | -67.4 | -177 | 0 | 0 | 0 | 111 | V103 F192 A196 V248 P249 R256 L259 Y281 | V103-L251 HydrophobicContact CG1-CD2 4.39Å; F192-L251 HydrophobicContact CD1-CD1 4.41Å; F192-L251 HydrophobicContact CE1-CD1 3.9Å; F192-L251 HydrophobicContact CE1-CD2 4.41Å; F192-L251 HydrophobicContact CE2-CD1 4.25Å; F192-L251 HydrophobicContact CE2-CD2 3.61Å; F192-L251 HydrophobicContact CZ-CD1 3.81Å; F192-L251 HydrophobicContact CZ-CD2 3.5Å; F192-L251 VanDerWaalsContact CZ-CD2 3.5Å; F192-L251 HydrophobicContact CZ-CG 4.34Å; A196-L251 HydrophobicContact CB-CD1 3.97Å; A196-L251 HydrophobicContact CB-CD2 3.95Å; A196-L251 HydrophobicContact CB-CG 3.61Å; V248-L251 HydrophobicContact CB-CB 4.46Å; V248-L251 HydrophobicContact CB-CD1 3.92Å; V248-L251 HydrophobicContact CB-CG 4.13Å; V248-L251 HydrophobicContact CG1-CD1 4.36Å; V248-L251 HydrophobicContact CG2-CB 4.41Å; V248-L251 HydrophobicContact CG2-CD1 3.93Å; V248-L251 HydrophobicContact CG2-CG 4.41Å; V248-L251 PolarHBondContact O-N 3.37Å; V248-L251 VanDerWaalsContact O-N 3.13Å; P249-L251 VanDerWaalsContact C-N 3.34Å; L251-R256 HydrophobicContact CB-CG 3.98Å; L251-R256 PolarHBondContact O-NH1 3.26Å; L251-L259 HydrophobicContact CD1-CB 4.37Å; L251-L259 HydrophobicContact CD1-CD2 4.14Å; L251-Y281 HydrophobicContact CD2-CE2 4.35Å |
| 252 | S | 93.8 | Very high | 90.8 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 41% | 0.413 | 25% | 0.251 | S | S | . | . | trans | -69.3 | 175.8 | 165 | 64.2 | 0 | 0 | 0 | 0 | 110.9 | T254 G255 R256 | S252-T254 PolarHBondContact O-N 3.44Å; S252-T254 PolarHBondContact OG-N 3.05Å; S252-G255 PolarHBondContact O-N 3.45Å; S252-G255 PolarHBondContact OG-N 3.08Å; S252-G255 VanDerWaalsContact OG-N 3.15Å; S252-R256 PolarHBondContact O-N 3.11Å | ||
| 253 | S | 94.6 | Very high | 92.1 | Very high | 83 Ų | 83 | 41.5 Ų | 41.5 | 58% | 0.58 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -54.9 | -44.3 | 169.5 | 45.4 | 0 | 0 | 0 | 0 | 111.3 | R256 D257 | S253-R256 PolarHBondContact O-N 2.83Å; S253-D257 PolarHBondContact O-N 2.94Å |
| 254 | T | 96.3 | Very high | 92.7 | Very high | 50 Ų | 50 | 41.8 Ų | 41.8 | 31% | 0.307 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.3 | -39.1 | 177.6 | -41.9 | 0 | 0 | 0 | 0 | 112.7 | S252 D257 L258 H279 P280 Y281 | S252-T254 PolarHBondContact O-N 3.44Å; S252-T254 PolarHBondContact OG-N 3.05Å; T254-D257 PolarHBondContact O-N 3.32Å; T254-L258 PolarHBondContact O-N 3.31Å; T254-L258 VanDerWaalsContact O-N 3.11Å; T254-H279 PolarHBondContact O-CE1 3.21Å; T254-P280 HydrophobicContact CG2-CB 3.78Å; T254-Y281 VanDerWaalsContact CG2-N 3.35Å |
| 255 | G | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -40.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F192 S252 D257 L258 L259 | F192-G255 WeakPolarHBondContact CE1-O 3.38Å; S252-G255 PolarHBondContact O-N 3.45Å; S252-G255 PolarHBondContact OG-N 3.08Å; S252-G255 VanDerWaalsContact OG-N 3.15Å; G255-D257 VanDerWaalsContact C-N 3.3Å; G255-D257 PolarHBondContact O-N 3.4Å; G255-L258 PolarHBondContact O-N 2.86Å; G255-L259 PolarHBondContact O-N 3.36Å |
| 256 | R | 95.8 | Very high | 93.3 | Very high | 48 Ų | 48 | 39.4 Ų | 39.4 | 18% | 0.181 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.8 | -34.5 | 174.2 | -75.3 | -174.2 | -71 | -87.3 | -6 | 112.4 | L244 V248 L251 S252 S253 L259 Q260 | L244-R256 HydrophobicContact CB-CG 4.4Å; V248-R256 HydrophobicContact CG2-CG 3.92Å; L251-R256 HydrophobicContact CB-CG 3.98Å; L251-R256 PolarHBondContact O-NH1 3.26Å; S252-R256 PolarHBondContact O-N 3.11Å; S253-R256 PolarHBondContact O-N 2.83Å; R256-L259 PolarHBondContact O-N 3.04Å; R256-Q260 VanDerWaalsContact O-CG 3.29Å; R256-Q260 WeakPolarHBondContact O-CG 3.46Å; R256-Q260 PolarHBondContact O-N 3.16Å |
| 257 | D | 96.1 | Very high | 93.7 | Very high | 74 Ų | 74 | 34.1 Ų | 34.1 | 40% | 0.396 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.9 | -48.6 | 175 | -172.1 | 72.3 | 0 | 0 | 0 | 111.5 | S253 T254 G255 L259 Q260 N261 H279 | S253-D257 PolarHBondContact O-N 2.94Å; T254-D257 PolarHBondContact O-N 3.32Å; G255-D257 VanDerWaalsContact C-N 3.3Å; G255-D257 PolarHBondContact O-N 3.4Å; D257-L259 VanDerWaalsContact C-N 3.3Å; D257-L259 PolarHBondContact O-N 3.18Å; D257-Q260 PolarHBondContact O-N 2.84Å; D257-Q260 VanDerWaalsContact O-N 3.14Å; D257-N261 PolarHBondContact O-N 3.36Å; D257-N261 PolarHBondContact O-ND2 3.29Å; D257-N261 PolarHBondContact OD2-ND2 3.33Å; D257-H279 IonicContact OD2-CE1 3.56Å; D257-H279 IonicContact OD2-NE2 3.94Å; D257-H279 PolarHBondContact OD2-NE2 2.92Å |
| 258 | L | 98 | Very high | 94 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -56.6 | -45.2 | 173.6 | 178.4 | 58 | 0 | 0 | 0 | 111.8 | F192 T254 G255 Q260 N261 L262 I271 A276 H279 Y281 F282 | F192-L258 HydrophobicContact CE1-CB 4.27Å; F192-L258 HydrophobicContact CE1-CD2 4.05Å; F192-L258 HydrophobicContact CE1-CG 4.16Å; F192-L258 HydrophobicContact CZ-CD2 4.45Å; T254-L258 PolarHBondContact O-N 3.31Å; T254-L258 VanDerWaalsContact O-N 3.11Å; G255-L258 PolarHBondContact O-N 2.86Å; L258-Q260 VanDerWaalsContact C-N 3.33Å; L258-Q260 PolarHBondContact O-N 3.14Å; L258-N261 PolarHBondContact O-N 3.46Å; L258-L262 HydrophobicContact CD1-CD1 4.3Å; L258-L262 HydrophobicContact CD1-CG 4.35Å; L258-L262 HydrophobicContact CG-CD1 4.08Å; L258-L262 WeakPolarHBondContact O-CG 3.21Å; L258-L262 PolarHBondContact O-N 3.05Å; L258-I271 HydrophobicContact CD1-CD1 4.45Å; L258-A276 HydrophobicContact CD1-CB 4.01Å; L258-H279 HydrophobicContact CD1-CB 4.04Å; L258-Y281 HydrophobicContact CD2-CD1 3.65Å; L258-Y281 HydrophobicContact CD2-CE1 4.49Å; L258-Y281 HydrophobicContact CD2-CG 4.17Å; L258-F282 HydrophobicContact CD2-CE2 3.62Å; L258-F282 HydrophobicContact CD2-CZ 3.89Å |
| 259 | L | 97.3 | Very high | 94.1 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.6 | -42 | 178.1 | -179.4 | 64 | 0 | 0 | 0 | 112.1 | G189 F192 A193 V248 L251 G255 R256 D257 N261 L262 L263 | G189-L259 WeakPolarHBondContact O-CD1 3.43Å; F192-L259 HydrophobicContact CB-CD1 4.15Å; F192-L259 HydrophobicContact CD1-CB 3.94Å; F192-L259 HydrophobicContact CD1-CD1 3.88Å; F192-L259 HydrophobicContact CD1-CG 4.48Å; F192-L259 HydrophobicContact CE1-CB 4.09Å; F192-L259 HydrophobicContact CG-CD1 4.39Å; A193-L259 HydrophobicContact CB-CD1 4.24Å; A193-L259 HydrophobicContact CB-CD2 4.33Å; V248-L259 HydrophobicContact CB-CD2 4.43Å; V248-L259 HydrophobicContact CG1-CD2 3.91Å; V248-L259 HydrophobicContact CG2-CD2 3.79Å; L251-L259 HydrophobicContact CD1-CB 4.37Å; L251-L259 HydrophobicContact CD1-CD2 4.14Å; G255-L259 PolarHBondContact O-N 3.36Å; R256-L259 PolarHBondContact O-N 3.04Å; D257-L259 VanDerWaalsContact C-N 3.3Å; D257-L259 PolarHBondContact O-N 3.18Å; L259-N261 VanDerWaalsContact C-N 3.33Å; L259-N261 PolarHBondContact O-N 2.98Å; L259-L262 PolarHBondContact O-N 3.38Å; L259-L263 HydrophobicContact CD1-CD1 3.64Å; L259-L263 HydrophobicContact CD1-CG 4.08Å; L259-L263 HydrophobicContact CG-CD1 3.98Å; L259-L263 WeakPolarHBondContact O-CB 3.17Å; L259-L263 WeakPolarHBondContact O-CG 3.23Å; L259-L263 PolarHBondContact O-N 3.48Å |
| 260 | Q | 94.9 | Very high | 94.6 | Very high | 75 Ų | 75 | 40.1 Ų | 40.1 | 35% | 0.35 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64.5 | -37.7 | 176.4 | -72.4 | 175.3 | 37.5 | 0 | 0 | 112.3 | F220 L244 R256 D257 L258 L263 K264 | F220-Q260 HydrophobicContact CE1-CG 4.13Å; L244-Q260 HydrophobicContact CD1-CG 3.41Å; L244-Q260 VanDerWaalsContact CD1-CG 3.41Å; R256-Q260 VanDerWaalsContact O-CG 3.29Å; R256-Q260 WeakPolarHBondContact O-CG 3.46Å; R256-Q260 PolarHBondContact O-N 3.16Å; D257-Q260 PolarHBondContact O-N 2.84Å; D257-Q260 VanDerWaalsContact O-N 3.14Å; L258-Q260 VanDerWaalsContact C-N 3.33Å; L258-Q260 PolarHBondContact O-N 3.14Å; Q260-L263 PolarHBondContact O-N 3.2Å; Q260-K264 PolarHBondContact O-N 3.35Å |
| 261 | N | 96.8 | Very high | 95.2 | Very high | 43 Ų | 43 | 38.4 Ų | 38.4 | 23% | 0.23 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.9 | -33.6 | 177.1 | -76.7 | -54.7 | 0 | 0 | 0 | 112.5 | D257 L258 L259 I271 | D257-N261 PolarHBondContact O-N 3.36Å; D257-N261 PolarHBondContact O-ND2 3.29Å; D257-N261 PolarHBondContact OD2-ND2 3.33Å; L258-N261 PolarHBondContact O-N 3.46Å; L259-N261 VanDerWaalsContact C-N 3.33Å; L259-N261 PolarHBondContact O-N 2.98Å; N261-I271 HydrophobicContact CB-CB 4.05Å; N261-I271 HydrophobicContact CB-CD1 4.38Å; N261-I271 HydrophobicContact CB-CG2 3.9Å; N261-I271 PolarHBondContact O-N 3.5Å; N261-I271 VanDerWaalsContact O-N 3.17Å |
| 262 | L | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.3 | -38.4 | 172.8 | -70.1 | 165.6 | 0 | 0 | 0 | 112.5 | M107 M185 F192 L258 L259 I271 | M107-L262 HydrophobicContact CE-CD1 3.73Å; M185-L262 HydrophobicContact CB-CD2 4.45Å; M185-L262 HydrophobicContact CE-CD2 3.52Å; F192-L262 HydrophobicContact CD1-CD1 4.1Å; L258-L262 HydrophobicContact CD1-CD1 4.3Å; L258-L262 HydrophobicContact CD1-CG 4.35Å; L258-L262 HydrophobicContact CG-CD1 4.08Å; L258-L262 WeakPolarHBondContact O-CG 3.21Å; L258-L262 PolarHBondContact O-N 3.05Å; L259-L262 PolarHBondContact O-N 3.38Å; L262-I271 HydrophobicContact CD2-CG2 3.73Å; L262-I271 HydrophobicContact CG-CG2 3.99Å |
| 263 | L | 96.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 23.3 | -174.2 | -65.9 | -179 | 0 | 0 | 0 | 114.2 | W186 L202 F220 L259 Q260 C265 | W186-L263 HydrophobicContact CD2-CD2 4Å; W186-L263 HydrophobicContact CE3-CD2 4.09Å; W186-L263 HydrophobicContact CH2-CD2 4.37Å; W186-L263 HydrophobicContact CZ2-CD2 4.3Å; W186-L263 HydrophobicContact CZ3-CB 4.28Å; W186-L263 HydrophobicContact CZ3-CD2 4.29Å; W186-L263 WeakPolarHBondContact CZ3-O 3.4Å; L202-L263 HydrophobicContact CD2-CD1 3.62Å; F220-L263 WeakPolarHBondContact CB-O 3.35Å; F220-L263 HydrophobicContact CD1-CB 4.18Å; F220-L263 HydrophobicContact CD2-CB 4.19Å; F220-L263 HydrophobicContact CE1-CB 3.97Å; F220-L263 HydrophobicContact CE2-CB 3.99Å; F220-L263 HydrophobicContact CE2-CD1 3.9Å; F220-L263 HydrophobicContact CG-CB 4.29Å; F220-L263 WeakPolarHBondContact CG-O 3.45Å; F220-L263 HydrophobicContact CZ-CB 3.87Å; F220-L263 HydrophobicContact CZ-CD1 3.79Å; L259-L263 HydrophobicContact CD1-CD1 3.64Å; L259-L263 HydrophobicContact CD1-CG 4.08Å; L259-L263 HydrophobicContact CG-CD1 3.98Å; L259-L263 WeakPolarHBondContact O-CB 3.17Å; L259-L263 WeakPolarHBondContact O-CG 3.23Å; L259-L263 PolarHBondContact O-N 3.48Å; Q260-L263 PolarHBondContact O-N 3.2Å; L263-C265 PolarHBondContact O-N 2.81Å |
| 264 | K | 93.9 | Very high | 95.9 | Very high | 64 Ų | 64 | 39.5 Ų | 39.5 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | trans | -61.4 | 129.4 | 171.3 | -68.9 | -71.6 | -174.7 | 172.4 | 0 | 110.3 | Q260 N266 Q269 R270 | Q260-K264 PolarHBondContact O-N 3.35Å; K264-N266 VanDerWaalsContact C-N 3.34Å; K264-N266 PolarHBondContact O-N 3.41Å; K264-Q269 HydrophobicContact CB-CB 4.15Å; K264-Q269 HydrophobicContact CG-CB 4.19Å; K264-R270 HydrophobicContact CB-CG 3.81Å; K264-R270 WeakPolarHBondContact O-CD 3.32Å; K264-R270 WeakPolarHBondContact O-CG 3.36Å; K264-R270 PolarHBondContact O-NE 3.24Å | ||
| 265 | C | 92.3 | Very high | 96 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -63.1 | -42.6 | 177.4 | -73.1 | 0 | 0 | 0 | 0 | 111.3 | P170 F220 W223 L263 P267 R270 | P170-C265 HydrophobicContact CG-CB 4.22Å; F220-C265 VanDerWaalsContact C-SG 3.58Å; F220-C265 WeakPolarHBondContact O-CB 3.15Å; F220-C265 PolarHBondContact O-N 3.15Å; F220-C265 VanDerWaalsContact O-N 3.07Å; F220-C265 PolarHBondContact O-SG 3.22Å; W223-C265 HydrophobicContact CE3-CB 4.41Å; L263-C265 PolarHBondContact O-N 2.81Å; C265-P267 VanDerWaalsContact O-CD 3.32Å; C265-P267 WeakPolarHBondContact O-CD 3.21Å; C265-R270 PolarHBondContact O-NH2 3.41Å |
| 266 | N | 92.3 | Very high | 96.1 | Very high | 25 Ų | 25 | 42.3 Ų | 42.3 | 13% | 0.134 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -68.2 | 115.2 | 175.4 | -175.4 | -10.2 | 0 | 0 | 0 | 110.1 | W223 K264 V268 Q269 R270 | W223-N266 HydrophobicContact CB-CB 3.96Å; W223-N266 VanDerWaalsContact CD1-CG 3.44Å; W223-N266 HydrophobicContact CD2-CB 4.21Å; W223-N266 HydrophobicContact CG-CB 3.67Å; K264-N266 VanDerWaalsContact C-N 3.34Å; K264-N266 PolarHBondContact O-N 3.41Å; N266-V268 PolarHBondContact O-N 2.96Å; N266-V268 VanDerWaalsContact O-N 3.15Å; N266-V268 PolarHBondContact OD1-N 3.3Å; N266-V268 VanDerWaalsContact OD1-N 3.11Å; N266-Q269 HydrophobicContact CB-CB 4.22Å; N266-Q269 HydrophobicContact CB-CG 4.12Å; N266-Q269 PolarHBondContact O-N 2.86Å; N266-R270 PolarHBondContact O-N 3.3Å |
| 267 | P | 93.6 | Very high | 96.2 | Very high | 27 Ų | 27 | 41.9 Ų | 41.9 | 18% | 0.175 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -25.5 | -177.6 | 23.5 | -33.3 | 0 | 0 | 0 | 114 | D171 S182 W223 C265 Q269 R270 | D171-P267 HydrophobicContact CB-CG 4.13Å; S182-P267 WeakPolarHBondContact CB-O 3.5Å; S182-P267 WeakPolarHBondContact OG-CB 3.28Å; W223-P267 HydrophobicContact CZ2-CG 4.31Å; C265-P267 VanDerWaalsContact O-CD 3.32Å; C265-P267 WeakPolarHBondContact O-CD 3.21Å; P267-Q269 VanDerWaalsContact C-N 3.32Å; P267-R270 VanDerWaalsContact CA-CZ 3.49Å |
| 268 | V | 93.1 | Very high | 96.3 | Very high | 129 Ų | 129 | 45.4 Ų | 45.4 | 78% | 0.782 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75 | -25.3 | 179 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | N266 | N266-V268 PolarHBondContact O-N 2.96Å; N266-V268 VanDerWaalsContact O-N 3.15Å; N266-V268 PolarHBondContact OD1-N 3.3Å; N266-V268 VanDerWaalsContact OD1-N 3.11Å |
| 269 | Q | 94.1 | Very high | 96.3 | Very high | 82 Ų | 82 | 46.2 Ų | 46.2 | 38% | 0.383 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -6.7 | 179.3 | -67.2 | 178 | -18.1 | 0 | 0 | 112.9 | D222 K264 N266 P267 I271 | D222-Q269 PolarHBondContact O-OE1 2.7Å; K264-Q269 HydrophobicContact CB-CB 4.15Å; K264-Q269 HydrophobicContact CG-CB 4.19Å; N266-Q269 HydrophobicContact CB-CB 4.22Å; N266-Q269 HydrophobicContact CB-CG 4.12Å; N266-Q269 PolarHBondContact O-N 2.86Å; P267-Q269 VanDerWaalsContact C-N 3.32Å; Q269-I271 PolarHBondContact O-N 3.4Å |
| 270 | R | 96.1 | Very high | 96.3 | Very high | 16 Ų | 16 | 50.3 Ų | 50.3 | 6% | 0.06 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -70.6 | 129.9 | 177.4 | -73.3 | 179.6 | -140.1 | 141.6 | 10.2 | 109.4 | D171 S182 K264 C265 N266 P267 | D171-R270 IonicContact OD1-CZ 3.97Å; D171-R270 IonicContact OD1-NH1 3.77Å; D171-R270 PolarHBondContact OD1-NH1 3.42Å; D171-R270 IonicContact OD1-NH2 2.67Å; D171-R270 PolarHBondContact OD1-NH2 3.02Å; D171-R270 IonicContact OD2-NH2 3.62Å; S182-R270 PolarHBondContact O-NH1 3.2Å; K264-R270 HydrophobicContact CB-CG 3.81Å; K264-R270 WeakPolarHBondContact O-CD 3.32Å; K264-R270 WeakPolarHBondContact O-CG 3.36Å; K264-R270 PolarHBondContact O-NE 3.24Å; C265-R270 PolarHBondContact O-NH2 3.41Å; N266-R270 PolarHBondContact O-N 3.3Å; P267-R270 VanDerWaalsContact CA-CZ 3.49Å |
| 271 | I | 98.4 | Very high | 96.4 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 12% | 0.118 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -57.9 | 138.8 | 175.3 | -166.2 | 168.9 | 0 | 0 | 0 | 110.8 | M185 L258 N261 L262 Q269 E275 A276 | M185-I271 WeakPolarHBondContact CG-O 3.37Å; L258-I271 HydrophobicContact CD1-CD1 4.45Å; N261-I271 HydrophobicContact CB-CB 4.05Å; N261-I271 HydrophobicContact CB-CD1 4.38Å; N261-I271 HydrophobicContact CB-CG2 3.9Å; N261-I271 PolarHBondContact O-N 3.5Å; N261-I271 VanDerWaalsContact O-N 3.17Å; L262-I271 HydrophobicContact CD2-CG2 3.73Å; L262-I271 HydrophobicContact CG-CG2 3.99Å; Q269-I271 PolarHBondContact O-N 3.4Å; I271-E275 HydrophobicContact CD1-CB 4.01Å; I271-E275 HydrophobicContact CG1-CB 3.54Å; I271-A276 HydrophobicContact CD1-CB 4.13Å; I271-A276 HydrophobicContact CG1-CB 4.27Å; I271-A276 HydrophobicContact CG2-CB 4.25Å |
| 272 | S | 98.6 | Very high | 96.4 | Very high | 35 Ų | 35 | 46 Ų | 46 | 25% | 0.245 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 163 | 173.4 | 68.6 | 0 | 0 | 0 | 0 | 111.7 | E274 E275 A276 | S272-E274 PolarHBondContact O-N 3.13Å; S272-E275 VanDerWaalsContact CB-OE2 3.29Å; S272-E275 WeakPolarHBondContact CB-OE2 3.08Å; S272-E275 PolarHBondContact N-OE2 2.63Å; S272-E275 PolarHBondContact O-N 3.16Å; S272-E275 WeakPolarHBondContact OG-CB 3.46Å; S272-E275 VanDerWaalsContact OG-CD 3.25Å; S272-E275 VanDerWaalsContact OG-CG 3.25Å; S272-E275 WeakPolarHBondContact OG-CG 3.45Å; S272-E275 PolarHBondContact OG-N 3.29Å; S272-E275 PolarHBondContact OG-OE2 3.15Å; S272-A276 WeakPolarHBondContact O-CB 3.46Å; S272-A276 PolarHBondContact O-N 3.35Å |
| 273 | A | 98.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.017 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62 | -34.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L114 A115 M185 L277 | L114-A273 HydrophobicContact CB-CB 4.13Å; A115-A273 HydrophobicContact CB-CB 3.84Å; M185-A273 HydrophobicContact CE-CB 3.92Å; M185-A273 HydrophobicContact SD-CB 3.77Å; A273-L277 VanDerWaalsContact O-CG 3.29Å; A273-L277 WeakPolarHBondContact O-CG 3.28Å; A273-L277 PolarHBondContact O-N 2.65Å; A273-L277 VanDerWaalsContact O-N 3.13Å |
| 274 | E | 97.9 | Very high | 95.8 | Very high | 135 Ų | 135 | 55.6 Ų | 55.6 | 63% | 0.631 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.6 | -47.4 | 179 | -175 | 170.5 | -169.3 | 0 | 0 | 111.8 | S272 A276 L277 | S272-E274 PolarHBondContact O-N 3.13Å; E274-A276 VanDerWaalsContact C-N 3.35Å; E274-L277 PolarHBondContact O-N 3.41Å |
| 275 | E | 98.4 | Very high | 95.4 | Very high | 109 Ų | 109 | 53.9 Ų | 53.9 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 175 | -67.9 | 162.2 | 138.8 | 0 | 0 | 111.5 | I271 S272 L277 Q278 H279 | I271-E275 HydrophobicContact CD1-CB 4.01Å; I271-E275 HydrophobicContact CG1-CB 3.54Å; S272-E275 VanDerWaalsContact CB-OE2 3.29Å; S272-E275 WeakPolarHBondContact CB-OE2 3.08Å; S272-E275 PolarHBondContact N-OE2 2.63Å; S272-E275 PolarHBondContact O-N 3.16Å; S272-E275 WeakPolarHBondContact OG-CB 3.46Å; S272-E275 VanDerWaalsContact OG-CD 3.25Å; S272-E275 VanDerWaalsContact OG-CG 3.25Å; S272-E275 WeakPolarHBondContact OG-CG 3.45Å; S272-E275 PolarHBondContact OG-N 3.29Å; S272-E275 PolarHBondContact OG-OE2 3.15Å; E275-L277 VanDerWaalsContact C-N 3.29Å; E275-L277 PolarHBondContact O-N 2.89Å; E275-Q278 PolarHBondContact O-N 3.11Å; E275-H279 PolarHBondContact O-N 2.78Å |
| 276 | A | 98.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.7 | -34.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | L111 L258 I271 S272 E274 Q278 H279 F282 | L111-A276 HydrophobicContact CD1-CB 3.83Å; L111-A276 HydrophobicContact CD2-CB 3.94Å; L111-A276 HydrophobicContact CG-CB 4.49Å; L258-A276 HydrophobicContact CD1-CB 4.01Å; I271-A276 HydrophobicContact CD1-CB 4.13Å; I271-A276 HydrophobicContact CG1-CB 4.27Å; I271-A276 HydrophobicContact CG2-CB 4.25Å; S272-A276 WeakPolarHBondContact O-CB 3.46Å; S272-A276 PolarHBondContact O-N 3.35Å; E274-A276 VanDerWaalsContact C-N 3.35Å; A276-Q278 PolarHBondContact O-N 3.23Å; A276-H279 WeakPolarHBondContact O-CB 3.3Å; A276-H279 PolarHBondContact O-N 3.21Å; A276-F282 WeakPolarHBondContact O-CD2 3.49Å; A276-F282 WeakPolarHBondContact O-CE2 3.47Å |
| 277 | L | 97.8 | Very high | 93.4 | Very high | 38 Ų | 38 | 61 Ų | 61 | 20% | 0.199 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.6 | -23.1 | 174.7 | -75 | 165.3 | 0 | 0 | 0 | 113.1 | Y108 L111 K112 A115 A273 E274 E275 H279 | Y108-L277 HydrophobicContact CD2-CD2 3.67Å; Y108-L277 HydrophobicContact CE2-CD2 3.58Å; Y108-L277 HydrophobicContact CG-CD2 4.32Å; L111-L277 HydrophobicContact CB-CD2 3.7Å; L111-L277 HydrophobicContact CB-CG 3.88Å; K112-L277 HydrophobicContact CG-CD1 4.11Å; K112-L277 HydrophobicContact CG-CD2 3.68Å; A115-L277 HydrophobicContact CB-CD1 3.9Å; A273-L277 VanDerWaalsContact O-CG 3.29Å; A273-L277 WeakPolarHBondContact O-CG 3.28Å; A273-L277 PolarHBondContact O-N 2.65Å; A273-L277 VanDerWaalsContact O-N 3.13Å; E274-L277 PolarHBondContact O-N 3.41Å; E275-L277 VanDerWaalsContact C-N 3.29Å; E275-L277 PolarHBondContact O-N 2.89Å; L277-H279 VanDerWaalsContact C-N 3.34Å |
| 278 | Q | 97.6 | Very high | 91.5 | Very high | 148 Ų | 148 | 66.4 Ų | 66.4 | 69% | 0.692 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -1.5 | 176.1 | -60.4 | 174.5 | 14.1 | 0 | 0 | 112.4 | E275 A276 | E275-Q278 PolarHBondContact O-N 3.11Å; A276-Q278 PolarHBondContact O-N 3.23Å |
| 279 | H | 98.4 | Very high | 91.4 | Very high | 17 Ų | 17 | 63.3 Ų | 63.3 | 8% | 0.079 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -64.4 | 143.7 | -176.9 | -167.1 | -89.4 | 0 | 0 | 0 | 111.7 | T254 D257 L258 E275 A276 L277 Y281 F282 | T254-H279 PolarHBondContact O-CE1 3.21Å; D257-H279 IonicContact OD2-CE1 3.56Å; D257-H279 IonicContact OD2-NE2 3.94Å; D257-H279 PolarHBondContact OD2-NE2 2.92Å; L258-H279 HydrophobicContact CD1-CB 4.04Å; E275-H279 PolarHBondContact O-N 2.78Å; A276-H279 WeakPolarHBondContact O-CB 3.3Å; A276-H279 PolarHBondContact O-N 3.21Å; L277-H279 VanDerWaalsContact C-N 3.34Å; H279-Y281 WeakPolarHBondContact ND1-CB 3.14Å; H279-Y281 PolarHBondContact ND1-N 3.44Å; H279-Y281 VanDerWaalsContact ND1-N 3.18Å; H279-Y281 PolarHBondContact O-N 3.41Å; H279-F282 PolarHBondContact O-N 3.06Å |
| 280 | P | 97.6 | Very high | 91.3 | Very high | 88 Ų | 88 | 62.3 Ų | 62.3 | 57% | 0.571 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -56.9 | -14.1 | 179.2 | -27.1 | 34.8 | 0 | 0 | 0 | 115.7 | T254 F282 A283 | T254-P280 HydrophobicContact CG2-CB 3.78Å; P280-F282 PolarHBondContact O-N 3.29Å; P280-A283 WeakPolarHBondContact O-CB 3.38Å; P280-A283 PolarHBondContact O-N 3.19Å |
| 281 | Y | 97.3 | Very high | 91 | Very high | 14 Ų | 14 | 64.9 Ų | 64.9 | 6% | 0.055 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -64.7 | -23.8 | 174.4 | -179.1 | -112.5 | 0 | 0 | 0 | 112.6 | K104 F192 L251 T254 L258 H279 | K104-Y281 HydrophobicContact CB-CE1 4.25Å; K104-Y281 WeakPolarHBondContact CE-O 3.45Å; K104-Y281 HydrophobicContact CG-CD1 4.43Å; K104-Y281 HydrophobicContact CG-CE1 3.85Å; F192-Y281 AromaticContact CE2-CE1 3.9Å; F192-Y281 HydrophobicContact CE2-CE1 3.9Å; F192-Y281 HydrophobicContact CZ-CD1 4.13Å; F192-Y281 AromaticContact CZ-CE1 3.53Å; F192-Y281 HydrophobicContact CZ-CE1 3.53Å; F192-Y281 HydrophobicContact CZ-CE2 4.41Å; F192-Y281 AromaticContact CZ-CZ 3.71Å; L251-Y281 HydrophobicContact CD2-CE2 4.35Å; T254-Y281 VanDerWaalsContact CG2-N 3.35Å; L258-Y281 HydrophobicContact CD2-CD1 3.65Å; L258-Y281 HydrophobicContact CD2-CE1 4.49Å; L258-Y281 HydrophobicContact CD2-CG 4.17Å; H279-Y281 WeakPolarHBondContact ND1-CB 3.14Å; H279-Y281 PolarHBondContact ND1-N 3.44Å; H279-Y281 VanDerWaalsContact ND1-N 3.18Å; H279-Y281 PolarHBondContact O-N 3.41Å |
| 282 | F | 96.8 | Very high | 90.6 | Very high | 12 Ų | 12 | 67.4 Ų | 67.4 | 5% | 0.053 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -108.6 | 6.3 | 178 | -56.7 | -63.8 | 0 | 0 | 0 | 113.3 | K104 M107 Y108 L111 L258 A276 H279 P280 D284 F285 | K104-F282 HydrophobicContact CG-CD1 3.8Å; K104-F282 HydrophobicContact CG-CE1 3.93Å; M107-F282 HydrophobicContact CB-CE1 4.41Å; M107-F282 HydrophobicContact CB-CZ 4.19Å; M107-F282 HydrophobicContact CG-CZ 3.92Å; Y108-F282 HydrophobicContact CD2-CB 4.14Å; Y108-F282 AromaticContact CD2-CD1 3.73Å; Y108-F282 HydrophobicContact CD2-CD1 3.73Å; Y108-F282 HydrophobicContact CD2-CD2 4.26Å; Y108-F282 HydrophobicContact CD2-CE1 4.15Å; Y108-F282 AromaticContact CD2-CG 3.79Å; Y108-F282 HydrophobicContact CD2-CG 3.79Å; Y108-F282 HydrophobicContact CE2-CB 4.41Å; Y108-F282 HydrophobicContact CE2-CG 4.47Å; Y108-F282 HydrophobicContact CG-CD1 4.31Å; Y108-F282 HydrophobicContact CG-CE1 4.45Å; L111-F282 HydrophobicContact CD1-CE2 3.53Å; L111-F282 HydrophobicContact CD1-CZ 3.74Å; L258-F282 HydrophobicContact CD2-CE2 3.62Å; L258-F282 HydrophobicContact CD2-CZ 3.89Å; A276-F282 WeakPolarHBondContact O-CD2 3.49Å; A276-F282 WeakPolarHBondContact O-CE2 3.47Å; H279-F282 PolarHBondContact O-N 3.06Å; P280-F282 PolarHBondContact O-N 3.29Å; F282-D284 PolarHBondContact O-N 3.11Å; F282-F285 HydrophobicContact CB-CB 4.37Å; F282-F285 WeakPolarHBondContact O-CB 3.38Å; F282-F285 PolarHBondContact O-N 3.32Å; F282-F285 VanDerWaalsContact O-N 3.08Å |
| 283 | A | 91.7 | Very high | 90.1 | Very high | 89 Ų | 89 | 69.4 Ų | 69.4 | 74% | 0.736 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -30.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P280 | P280-A283 WeakPolarHBondContact O-CB 3.38Å; P280-A283 PolarHBondContact O-N 3.19Å |
| 284 | D | 88.4 | Confident | 89.5 | Confident | 114 Ų | 114 | 73.9 Ų | 73.9 | 61% | 0.61 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | 4.2 | 177.9 | 65.2 | -16.2 | 0 | 0 | 0 | 113.1 | K104 F282 | K104-D284 IonicContact NZ-OD1 3.02Å; K104-D284 PolarHBondContact NZ-OD1 2.75Å; K104-D284 IonicContact NZ-OD2 3.78Å; K104-D284 PolarHBondContact NZ-OD2 3.02Å; K104-D284 VanDerWaalsContact NZ-OD2 3.16Å; F282-D284 PolarHBondContact O-N 3.11Å |
| 285 | F | 86.8 | Confident | 89 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 12% | 0.123 | 41% | 0.408 | C | S | . | . | trans | -89.4 | 114.9 | -172.2 | -166.9 | -115.5 | 0 | 0 | 0 | 111.6 | K104 S105 Y108 F282 P287 | K104-F285 HydrophobicContact CB-CD2 4.49Å; K104-F285 HydrophobicContact CD-CB 3.92Å; K104-F285 HydrophobicContact CD-CD2 3.47Å; K104-F285 VanDerWaalsContact CD-CD2 3.47Å; K104-F285 HydrophobicContact CD-CE2 4.26Å; K104-F285 HydrophobicContact CD-CG 3.89Å; K104-F285 HydrophobicContact CG-CD2 3.91Å; K104-F285 HydrophobicContact CG-CE2 4.35Å; K104-F285 HydrophobicContact CG-CG 4.22Å; S105-F285 VanDerWaalsContact CA-CZ 3.42Å; Y108-F285 HydrophobicContact CD1-CD1 4.07Å; Y108-F285 AromaticContact CD1-CE1 3.84Å; Y108-F285 HydrophobicContact CD1-CE1 3.84Å; Y108-F285 HydrophobicContact CD2-CD1 4.14Å; Y108-F285 AromaticContact CG-CD1 3.85Å; Y108-F285 HydrophobicContact CG-CD1 3.85Å; Y108-F285 AromaticContact CG-CE1 3.88Å; Y108-F285 HydrophobicContact CG-CE1 3.88Å; F282-F285 HydrophobicContact CB-CB 4.37Å; F282-F285 WeakPolarHBondContact O-CB 3.38Å; F282-F285 PolarHBondContact O-N 3.32Å; F282-F285 VanDerWaalsContact O-N 3.08Å; F285-P287 WeakPolarHBondContact O-CD 3.35Å | ||
| 286 | C | 75.2 | Confident | 88.2 | Confident | 109 Ų | 109 | 66.5 Ų | 66.5 | 74% | 0.736 | 40% | 0.4 | S | S | * | . | trans | -84.8 | 118.9 | 163.7 | -71.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 287 | P | 65.9 | Low | 87.4 | Confident | 67 Ų | 67 | 72 Ų | 72 | 44% | 0.435 | 43% | 0.433 | S | S | . | . | trans | -56 | 131.7 | 173 | -21.3 | 32.2 | 0 | 0 | 0 | 109.5 | Y108 F285 | Y108-P287 HydrophobicContact CE1-CB 4.3Å; Y108-P287 HydrophobicContact CE1-CG 3.95Å; F285-P287 WeakPolarHBondContact O-CD 3.35Å | ||
| 288 | P | 55 | Low | 86.4 | Confident | 140 Ų | 140 | 75.1 Ų | 75.1 | 91% | 0.909 | 45% | 0.454 | S | S | * | . | trans | -63.3 | 0 | 169.3 | 26.6 | -32.4 | 0 | 0 | 0 | 111.5 |
Retrieved 288 of 288 residues in 76.8 ms
(Link to these results)