| 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 | 53.6 | Low | 76.2 | Confident | 199 Ų | 199 | 83.6 Ų | 83.6 | 98% | 0.98 | 47% | 0.467 | S | S | * | . | 0 | 111.5 | 0 | -155.8 | 168.7 | -177.5 | 0 | 0 | 107.8 | E6 | M1-E6 WeakPolarHBondContact CA-OE1 3.37Å; M1-E6 WeakPolarHBondContact CE-OE2 3.32Å; M1-E6 VanDerWaalsContact CG-CD 3.43Å; M1-E6 WeakPolarHBondContact CG-OE1 3.28Å; M1-E6 WeakPolarHBondContact CG-OE2 3.46Å | |||
| 2 | C | 64.5 | Low | 77.5 | Confident | 24 Ų | 24 | 80.1 Ų | 80.1 | 16% | 0.162 | 44% | 0.443 | C | S | . | . | trans | -112.1 | 106.4 | 176.9 | 177.5 | 0 | 0 | 0 | 0 | 107.5 | Y4 T5 E6 H51 | C2-Y4 PolarHBondContact O-N 3.14Å; C2-T5 HydrophobicContact CB-CG2 4.26Å; C2-T5 WeakPolarHBondContact CB-OG1 3.23Å; C2-T5 PolarHBondContact O-N 3.19Å; C2-T5 PolarHBondContact O-OG1 3.44Å; C2-E6 PolarHBondContact N-OE1 3.33Å; C2-E6 WeakPolarHBondContact O-CG 3.24Å; C2-E6 PolarHBondContact O-N 2.7Å; C2-H51 VanDerWaalsContact SG-CB 3.56Å | ||
| 3 | L | 71.8 | Confident | 78.6 | Confident | 91 Ų | 91 | 76.8 Ų | 76.8 | 48% | 0.476 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.3 | -176.7 | -60.9 | 176.6 | 0 | 0 | 0 | 112.7 | D7 A8 F12 | L3-D7 PolarHBondContact O-N 3.14Å; L3-A8 HydrophobicContact CB-CB 4.38Å; L3-A8 HydrophobicContact CD2-CB 3.79Å; L3-A8 PolarHBondContact O-N 3.05Å; L3-F12 HydrophobicContact CB-CD2 3.88Å; L3-F12 HydrophobicContact CB-CE2 3.65Å; L3-F12 HydrophobicContact CD1-CE2 4.48Å |
| 4 | Y | 76.1 | Confident | 79.7 | Confident | 24 Ų | 24 | 73.2 Ų | 73.2 | 9% | 0.094 | 41% | 0.411 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -47.3 | 174 | 177.5 | -91.7 | 0 | 0 | 0 | 112.6 | C2 E6 D7 F12 K16 D53 Y54 L57 | C2-Y4 PolarHBondContact O-N 3.14Å; Y4-E6 VanDerWaalsContact C-N 3.29Å; Y4-E6 PolarHBondContact O-N 2.88Å; Y4-D7 PolarHBondContact O-N 3.17Å; Y4-F12 HydrophobicContact CD2-CB 4.02Å; Y4-F12 AromaticContact CD2-CD1 3.65Å; Y4-F12 HydrophobicContact CD2-CD1 3.65Å; Y4-F12 HydrophobicContact CD2-CE1 4.39Å; Y4-F12 HydrophobicContact CD2-CG 4.03Å; Y4-F12 HydrophobicContact CG-CD1 4.35Å; Y4-K16 HydrophobicContact CE2-CD 4.09Å; Y4-K16 HydrophobicContact CE2-CG 3.89Å; Y4-K16 WeakPolarHBondContact O-CE 3.5Å; Y4-K16 PolarHBondContact O-NZ 3.37Å; Y4-D53 HydrophobicContact CD1-CB 3.72Å; Y4-D53 VanDerWaalsContact CE1-C 3.48Å; Y4-D53 HydrophobicContact CE1-CB 3.33Å; Y4-D53 PolarHBondContact OH-O 2.87Å; Y4-Y54 AromaticContact CD2-CD2 3.44Å; Y4-Y54 HydrophobicContact CD2-CD2 3.44Å; Y4-Y54 VanDerWaalsContact CD2-CD2 3.44Å; Y4-Y54 HydrophobicContact CD2-CE2 4.31Å; Y4-Y54 AromaticContact CD2-CG 3.86Å; Y4-Y54 HydrophobicContact CD2-CG 3.86Å; Y4-Y54 AromaticContact CE2-CD2 3.39Å; Y4-Y54 HydrophobicContact CE2-CD2 3.39Å; Y4-Y54 HydrophobicContact CE2-CE2 4.27Å; Y4-Y54 HydrophobicContact CE2-CG 4.12Å; Y4-Y54 HydrophobicContact CG-CD2 4.38Å; Y4-Y54 HydrophobicContact CG-CG 4.39Å; Y4-L57 HydrophobicContact CE2-CD1 4.25Å; Y4-L57 VanDerWaalsContact OH-CB 3.3Å; Y4-L57 WeakPolarHBondContact OH-CB 3.33Å; Y4-L57 WeakPolarHBondContact OH-CD1 3.23Å |
| 5 | T | 73.2 | Confident | 80.6 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 43% | 0.429 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -28 | -179.1 | 56 | 0 | 0 | 0 | 0 | 112.2 | C2 D7 D53 | C2-T5 HydrophobicContact CB-CG2 4.26Å; C2-T5 WeakPolarHBondContact CB-OG1 3.23Å; C2-T5 PolarHBondContact O-N 3.19Å; C2-T5 PolarHBondContact O-OG1 3.44Å; T5-D7 VanDerWaalsContact C-N 3.3Å; T5-D53 VanDerWaalsContact CG2-OD2 3.27Å; T5-D53 WeakPolarHBondContact CG2-OD2 3.04Å |
| 6 | E | 77.1 | Confident | 81.3 | Confident | 85 Ų | 85 | 68.1 Ų | 68.1 | 40% | 0.397 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 0.4 | -178.7 | -67.1 | 164.4 | -153.5 | 0 | 0 | 113 | M1 C2 Y4 A8 | M1-E6 WeakPolarHBondContact CA-OE1 3.37Å; M1-E6 WeakPolarHBondContact CE-OE2 3.32Å; M1-E6 VanDerWaalsContact CG-CD 3.43Å; M1-E6 WeakPolarHBondContact CG-OE1 3.28Å; M1-E6 WeakPolarHBondContact CG-OE2 3.46Å; C2-E6 PolarHBondContact N-OE1 3.33Å; C2-E6 WeakPolarHBondContact O-CG 3.24Å; C2-E6 PolarHBondContact O-N 2.7Å; Y4-E6 VanDerWaalsContact C-N 3.29Å; Y4-E6 PolarHBondContact O-N 2.88Å; E6-A8 HydrophobicContact CB-CB 4.35Å; E6-A8 PolarHBondContact O-N 2.67Å; E6-A8 VanDerWaalsContact O-N 3.08Å |
| 7 | D | 78.4 | Confident | 82.1 | Confident | 81 Ų | 81 | 75.8 Ų | 75.8 | 43% | 0.433 | 40% | 0.399 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.8 | 35.8 | -174.8 | -81.6 | -50.7 | 0 | 0 | 0 | 113.1 | L3 Y4 T5 P13 K16 | L3-D7 PolarHBondContact O-N 3.14Å; Y4-D7 PolarHBondContact O-N 3.17Å; T5-D7 VanDerWaalsContact C-N 3.3Å; D7-P13 HydrophobicContact CB-CG 4.15Å; D7-P13 WeakPolarHBondContact O-CG 3.31Å; D7-K16 VanDerWaalsContact OD1-CD 3.23Å; D7-K16 WeakPolarHBondContact OD1-CD 3.31Å; D7-K16 WeakPolarHBondContact OD1-CE 3.29Å; D7-K16 IonicContact OD1-NZ 3.77Å; D7-K16 PolarHBondContact OD1-NZ 3.48Å; D7-K16 IonicContact OD2-NZ 2.68Å; D7-K16 PolarHBondContact OD2-NZ 3.11Å; D7-K16 VanDerWaalsContact OD2-NZ 3.1Å |
| 8 | A | 79.2 | Confident | 82.8 | Confident | 33 Ų | 33 | 75.3 Ų | 75.3 | 27% | 0.273 | 40% | 0.397 | S | S | . | . | trans | -82.7 | 139 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L3 E6 | L3-A8 HydrophobicContact CB-CB 4.38Å; L3-A8 HydrophobicContact CD2-CB 3.79Å; L3-A8 PolarHBondContact O-N 3.05Å; E6-A8 HydrophobicContact CB-CB 4.35Å; E6-A8 PolarHBondContact O-N 2.67Å; E6-A8 VanDerWaalsContact O-N 3.08Å | ||
| 9 | G | 86.1 | Confident | 83.5 | Confident | 64 Ų | 64 | 72.8 Ų | 72.8 | 66% | 0.66 | 39% | 0.385 | S | S | * | . | S | Bend | trans | 74.6 | -166.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P13 | G9-P13 WeakPolarHBondContact O-CD 3.27Å; G9-P13 WeakPolarHBondContact O-CG 2.8Å |
| 10 | T | 87.4 | Confident | 84.2 | Confident | 116 Ų | 116 | 72.5 Ų | 72.5 | 71% | 0.712 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -99.2 | -26.1 | -175.4 | 53.7 | 0 | 0 | 0 | 0 | 113.4 | S14 | T10-S14 WeakPolarHBondContact O-CB 3.45Å; T10-S14 PolarHBondContact O-N 3.3Å; T10-S14 PolarHBondContact O-OG 3.44Å |
| 11 | Y | 90.6 | Very high | 84.8 | Confident | 133 Ų | 133 | 77.9 Ų | 77.9 | 52% | 0.522 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.6 | -61.5 | -171.8 | 177.2 | -98.8 | 0 | 0 | 0 | 113 | S14 I15 Y54 | Y11-S14 PolarHBondContact O-N 2.85Å; Y11-I15 HydrophobicContact CD1-CD1 4.2Å; Y11-I15 HydrophobicContact CD2-CD1 4.17Å; Y11-I15 HydrophobicContact CE1-CD1 3.63Å; Y11-I15 HydrophobicContact CE2-CD1 3.61Å; Y11-I15 HydrophobicContact CG-CD1 4.45Å; Y11-I15 PolarHBondContact O-N 3.07Å; Y11-I15 VanDerWaalsContact O-N 3.16Å; Y11-I15 WeakPolarHBondContact OH-CD1 3.36Å; Y11-Y54 PolarHBondContact OH-OH 3.21Å; Y11-Y54 VanDerWaalsContact OH-OH 3.09Å |
| 12 | F | 91.6 | Very high | 86.9 | Confident | 41 Ų | 41 | 73.7 Ų | 73.7 | 18% | 0.18 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65 | -43.6 | -176.3 | -62.7 | -67.6 | 0 | 0 | 0 | 113 | L3 Y4 S14 I15 K16 Y54 | L3-F12 HydrophobicContact CB-CD2 3.88Å; L3-F12 HydrophobicContact CB-CE2 3.65Å; L3-F12 HydrophobicContact CD1-CE2 4.48Å; Y4-F12 HydrophobicContact CD2-CB 4.02Å; Y4-F12 AromaticContact CD2-CD1 3.65Å; Y4-F12 HydrophobicContact CD2-CD1 3.65Å; Y4-F12 HydrophobicContact CD2-CE1 4.39Å; Y4-F12 HydrophobicContact CD2-CG 4.03Å; Y4-F12 HydrophobicContact CG-CD1 4.35Å; F12-S14 VanDerWaalsContact C-N 3.29Å; F12-S14 PolarHBondContact O-N 3.45Å; F12-I15 PolarHBondContact O-N 3.44Å; F12-K16 WeakPolarHBondContact O-CG 3.46Å; F12-K16 PolarHBondContact O-N 3.2Å; F12-Y54 HydrophobicContact CD1-CD2 4.1Å; F12-Y54 HydrophobicContact CD1-CE1 4.46Å; F12-Y54 AromaticContact CD1-CE2 3.96Å; F12-Y54 HydrophobicContact CD1-CE2 3.96Å; F12-Y54 HydrophobicContact CD1-CG 4.39Å; F12-Y54 AromaticContact CE1-CD1 3.94Å; F12-Y54 HydrophobicContact CE1-CD1 3.94Å; F12-Y54 HydrophobicContact CE1-CD2 4.27Å; F12-Y54 AromaticContact CE1-CE1 3.86Å; F12-Y54 HydrophobicContact CE1-CE1 3.86Å; F12-Y54 HydrophobicContact CE1-CE2 4.18Å; F12-Y54 HydrophobicContact CE1-CG 4.14Å; F12-Y54 AromaticContact CE1-CZ 3.98Å |
| 13 | P | 92.1 | Very high | 88.4 | Confident | 37 Ų | 37 | 74 Ų | 74 | 24% | 0.24 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.3 | -37 | 175.6 | -27.4 | 38.5 | 0 | 0 | 0 | 113 | D7 G9 K16 R17 | D7-P13 HydrophobicContact CB-CG 4.15Å; D7-P13 WeakPolarHBondContact O-CG 3.31Å; G9-P13 WeakPolarHBondContact O-CD 3.27Å; G9-P13 WeakPolarHBondContact O-CG 2.8Å; P13-K16 PolarHBondContact O-N 3.2Å; P13-R17 WeakPolarHBondContact O-CB 3.33Å; P13-R17 PolarHBondContact O-N 2.73Å |
| 14 | S | 93.8 | Very high | 89.7 | Confident | 27 Ų | 27 | 77.7 Ų | 77.7 | 19% | 0.189 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.9 | -42.6 | 178.2 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | T10 Y11 F12 R17 D18 | T10-S14 WeakPolarHBondContact O-CB 3.45Å; T10-S14 PolarHBondContact O-N 3.3Å; T10-S14 PolarHBondContact O-OG 3.44Å; Y11-S14 PolarHBondContact O-N 2.85Å; F12-S14 VanDerWaalsContact C-N 3.29Å; F12-S14 PolarHBondContact O-N 3.45Å; S14-R17 PolarHBondContact O-N 2.9Å; S14-D18 PolarHBondContact O-N 2.84Å; S14-D18 VanDerWaalsContact O-N 3.11Å |
| 15 | I | 94.1 | Very high | 90.7 | Very high | 4 Ų | 4 | 80.2 Ų | 80.2 | 2% | 0.021 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 177.1 | -65.7 | 175.2 | 0 | 0 | 0 | 111.2 | Y11 F12 R17 D18 P19 Y22 L23 Y54 L57 I58 | Y11-I15 HydrophobicContact CD1-CD1 4.2Å; Y11-I15 HydrophobicContact CD2-CD1 4.17Å; Y11-I15 HydrophobicContact CE1-CD1 3.63Å; Y11-I15 HydrophobicContact CE2-CD1 3.61Å; Y11-I15 HydrophobicContact CG-CD1 4.45Å; Y11-I15 PolarHBondContact O-N 3.07Å; Y11-I15 VanDerWaalsContact O-N 3.16Å; Y11-I15 WeakPolarHBondContact OH-CD1 3.36Å; F12-I15 PolarHBondContact O-N 3.44Å; I15-R17 VanDerWaalsContact C-N 3.31Å; I15-R17 PolarHBondContact O-N 3.26Å; I15-D18 CarbonylContact O-C 3.5Å; I15-P19 VanDerWaalsContact O-CA 3.24Å; I15-P19 WeakPolarHBondContact O-CA 3.48Å; I15-P19 WeakPolarHBondContact O-CB 3.46Å; I15-P19 VanDerWaalsContact O-CD 3.28Å; I15-P19 WeakPolarHBondContact O-CD 3.35Å; I15-Y22 HydrophobicContact CB-CD2 4.47Å; I15-Y22 HydrophobicContact CG1-CD2 3.87Å; I15-Y22 HydrophobicContact CG1-CE2 4.43Å; I15-Y22 HydrophobicContact CG1-CG 4.04Å; I15-L23 HydrophobicContact CG2-CD1 4.31Å; I15-Y54 HydrophobicContact CD1-CE2 4.49Å; I15-Y54 VanDerWaalsContact CD1-OH 3.23Å; I15-Y54 WeakPolarHBondContact CD1-OH 3.26Å; I15-Y54 HydrophobicContact CG2-CE2 4.23Å; I15-L57 HydrophobicContact CG2-CD2 3.98Å; I15-I58 HydrophobicContact CG2-CD1 4.32Å |
| 16 | K | 91.6 | Very high | 91.9 | Very high | 61 Ų | 61 | 78.5 Ų | 78.5 | 27% | 0.265 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 175.7 | -75.5 | 175.6 | 178.1 | -176 | 0 | 112.3 | Y4 D7 F12 P13 L57 | Y4-K16 HydrophobicContact CE2-CD 4.09Å; Y4-K16 HydrophobicContact CE2-CG 3.89Å; Y4-K16 WeakPolarHBondContact O-CE 3.5Å; Y4-K16 PolarHBondContact O-NZ 3.37Å; D7-K16 VanDerWaalsContact OD1-CD 3.23Å; D7-K16 WeakPolarHBondContact OD1-CD 3.31Å; D7-K16 WeakPolarHBondContact OD1-CE 3.29Å; D7-K16 IonicContact OD1-NZ 3.77Å; D7-K16 PolarHBondContact OD1-NZ 3.48Å; D7-K16 IonicContact OD2-NZ 2.68Å; D7-K16 PolarHBondContact OD2-NZ 3.11Å; D7-K16 VanDerWaalsContact OD2-NZ 3.1Å; F12-K16 WeakPolarHBondContact O-CG 3.46Å; F12-K16 PolarHBondContact O-N 3.2Å; P13-K16 PolarHBondContact O-N 3.2Å; K16-L57 HydrophobicContact CB-CD1 4.32Å; K16-L57 HydrophobicContact CG-CD1 3.66Å |
| 17 | R | 94.4 | Very high | 92.8 | Very high | 199 Ų | 199 | 77.4 Ų | 77.4 | 75% | 0.751 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.6 | -42.7 | -177.6 | -177.6 | -179.7 | 63.6 | -170.4 | -4 | 112.5 | P13 S14 I15 | P13-R17 WeakPolarHBondContact O-CB 3.33Å; P13-R17 PolarHBondContact O-N 2.73Å; S14-R17 PolarHBondContact O-N 2.9Å; I15-R17 VanDerWaalsContact C-N 3.31Å; I15-R17 PolarHBondContact O-N 3.26Å |
| 18 | D | 95.8 | Very high | 93.7 | Very high | 67 Ų | 67 | 79 Ų | 79 | 36% | 0.358 | 42% | 0.417 | S | S | . | . | trans | -143.8 | 76.6 | -177.1 | -175.8 | 6.2 | 0 | 0 | 0 | 110.8 | S14 I15 A20 R21 Y22 | S14-D18 PolarHBondContact O-N 2.84Å; S14-D18 VanDerWaalsContact O-N 3.11Å; I15-D18 CarbonylContact O-C 3.5Å; D18-A20 PolarHBondContact O-N 3.03Å; D18-R21 HydrophobicContact CB-CB 4.41Å; D18-R21 WeakPolarHBondContact O-CB 3.44Å; D18-R21 PolarHBondContact O-N 3Å; D18-R21 PolarHBondContact OD1-N 3.3Å; D18-R21 WeakPolarHBondContact OD2-CB 3.18Å; D18-Y22 VanDerWaalsContact O-CD2 3.23Å; D18-Y22 WeakPolarHBondContact O-CD2 3.23Å | ||
| 19 | P | 95.9 | Very high | 94.6 | Very high | 28 Ų | 28 | 81.3 Ų | 81.3 | 18% | 0.182 | 43% | 0.431 | C | S | . | . | G | 310 helix | trans | -63.8 | -30.9 | -177.7 | 22.1 | -31.3 | 0 | 0 | 0 | 112.3 | I15 R21 Y22 L23 F61 | I15-P19 VanDerWaalsContact O-CA 3.24Å; I15-P19 WeakPolarHBondContact O-CA 3.48Å; I15-P19 WeakPolarHBondContact O-CB 3.46Å; I15-P19 VanDerWaalsContact O-CD 3.28Å; I15-P19 WeakPolarHBondContact O-CD 3.35Å; P19-R21 PolarHBondContact O-N 3.4Å; P19-Y22 PolarHBondContact O-N 3.36Å; P19-L23 HydrophobicContact CB-CD1 3.91Å; P19-L23 WeakPolarHBondContact O-CB 3.36Å; P19-L23 WeakPolarHBondContact O-CG 3.36Å; P19-L23 PolarHBondContact O-N 3.37Å; P19-F61 HydrophobicContact CB-CD1 4.38Å; P19-F61 HydrophobicContact CB-CD2 3.69Å; P19-F61 HydrophobicContact CB-CE2 3.86Å; P19-F61 HydrophobicContact CB-CG 3.98Å; P19-F61 HydrophobicContact CB-CZ 4.29Å; P19-F61 HydrophobicContact CG-CD2 3.58Å; P19-F61 HydrophobicContact CG-CE2 3.63Å; P19-F61 HydrophobicContact CG-CG 4.36Å; P19-F61 HydrophobicContact CG-CZ 4.44Å |
| 20 | A | 97 | Very high | 95.2 | Very high | 66 Ų | 66 | 80.7 Ų | 80.7 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -63.9 | -24.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | D18 Y22 F61 | D18-A20 PolarHBondContact O-N 3.03Å; A20-Y22 VanDerWaalsContact C-N 3.3Å; A20-Y22 PolarHBondContact O-N 2.89Å; A20-F61 VanDerWaalsContact CA-CZ 3.45Å; A20-F61 HydrophobicContact CB-CE2 4.31Å; A20-F61 HydrophobicContact CB-CZ 3.74Å |
| 21 | R | 97.4 | Very high | 95.6 | Very high | 185 Ų | 185 | 77.7 Ų | 77.7 | 70% | 0.698 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -69.4 | -26.3 | 173.8 | -179 | 173.8 | -178.7 | 130.7 | 2.9 | 113.6 | D18 P19 | D18-R21 HydrophobicContact CB-CB 4.41Å; D18-R21 WeakPolarHBondContact O-CB 3.44Å; D18-R21 PolarHBondContact O-N 3Å; D18-R21 PolarHBondContact OD1-N 3.3Å; D18-R21 WeakPolarHBondContact OD2-CB 3.18Å; P19-R21 PolarHBondContact O-N 3.4Å |
| 22 | Y | 96.5 | Very high | 96 | Very high | 111 Ų | 111 | 75.7 Ų | 75.7 | 44% | 0.435 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118 | -21.4 | -171 | -55.2 | -77.2 | 0 | 0 | 0 | 113.6 | I15 D18 P19 A20 | I15-Y22 HydrophobicContact CB-CD2 4.47Å; I15-Y22 HydrophobicContact CG1-CD2 3.87Å; I15-Y22 HydrophobicContact CG1-CE2 4.43Å; I15-Y22 HydrophobicContact CG1-CG 4.04Å; D18-Y22 VanDerWaalsContact O-CD2 3.23Å; D18-Y22 WeakPolarHBondContact O-CD2 3.23Å; P19-Y22 PolarHBondContact O-N 3.36Å; A20-Y22 VanDerWaalsContact C-N 3.3Å; A20-Y22 PolarHBondContact O-N 2.89Å |
| 23 | L | 97.2 | Very high | 96.3 | Very high | 30 Ų | 30 | 80.8 Ų | 80.8 | 16% | 0.157 | 41% | 0.411 | C | S | . | . | trans | -120.9 | 135.9 | -173 | -52.4 | 176.4 | 0 | 0 | 0 | 109.6 | I15 P19 L57 I58 F61 I62 | I15-L23 HydrophobicContact CG2-CD1 4.31Å; P19-L23 HydrophobicContact CB-CD1 3.91Å; P19-L23 WeakPolarHBondContact O-CB 3.36Å; P19-L23 WeakPolarHBondContact O-CG 3.36Å; P19-L23 PolarHBondContact O-N 3.37Å; L23-L57 HydrophobicContact CD1-CD2 4.5Å; L23-I58 HydrophobicContact CD1-CD1 3.35Å; L23-I58 HydrophobicContact CD2-CD1 3.63Å; L23-I58 HydrophobicContact CG-CD1 4.11Å; L23-F61 HydrophobicContact CB-CD1 3.6Å; L23-F61 HydrophobicContact CB-CE1 3.71Å; L23-F61 HydrophobicContact CD1-CB 4.32Å; L23-F61 HydrophobicContact CD1-CD1 3.92Å; L23-F61 HydrophobicContact CD1-CG 4.24Å; L23-F61 HydrophobicContact CG-CD1 4.42Å; L23-F61 WeakPolarHBondContact O-CE1 3.43Å; L23-I62 HydrophobicContact CB-CG2 4.06Å | ||
| 24 | Q | 97.4 | Very high | 96.6 | Very high | 170 Ų | 170 | 80.1 Ų | 80.1 | 79% | 0.794 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -100.8 | 122.2 | 173.5 | -177.5 | 172.6 | -18.7 | 0 | 0 | 109.3 | C26 I62 | Q24-C26 PolarHBondContact O-N 2.96Å; Q24-I62 WeakPolarHBondContact O-CG2 3.28Å |
| 25 | P | 97.9 | Very high | 96.8 | Very high | 76 Ų | 76 | 85.1 Ų | 85.1 | 49% | 0.494 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 138.3 | 171.9 | -25.4 | 35.5 | 0 | 0 | 0 | 111.6 | F61 | P25-F61 HydrophobicContact CG-CE1 3.85Å; P25-F61 HydrophobicContact CG-CZ 4.26Å |
| 26 | C | 98.1 | Very high | 97 | Very high | 35 Ų | 35 | 87.8 Ų | 87.8 | 24% | 0.236 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -68.1 | 140.5 | 172.2 | -64.8 | 0 | 0 | 0 | 0 | 109.7 | Q24 V30 I62 L63 | Q24-C26 PolarHBondContact O-N 2.96Å; C26-V30 HydrophobicContact CB-CB 4.13Å; C26-V30 HydrophobicContact CB-CG1 4.15Å; C26-I62 VanDerWaalsContact CB-O 3.27Å; C26-I62 WeakPolarHBondContact CB-O 3.32Å; C26-I62 PolarHBondContact N-O 2.86Å; C26-L63 HydrophobicContact CB-CD2 4Å |
| 27 | S | 97.3 | Very high | 97.3 | Very high | 61 Ų | 61 | 88 Ų | 88 | 43% | 0.427 | 44% | 0.442 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 158.7 | 173.1 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | S29 V30 K31 | S27-S29 PolarHBondContact O-N 3.2Å; S27-S29 PolarHBondContact OG-OG 2.9Å; S27-V30 PolarHBondContact O-N 3.22Å; S27-V30 VanDerWaalsContact O-N 3.13Å; S27-K31 PolarHBondContact O-N 2.93Å |
| 28 | D | 96.6 | Very high | 97.5 | Very high | 114 Ų | 114 | 81.3 Ų | 81.3 | 61% | 0.61 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.2 | -28.2 | 174.5 | -67.5 | -31 | 0 | 0 | 0 | 112.6 | V30 K31 T32 | D28-V30 PolarHBondContact O-N 3.15Å; D28-K31 PolarHBondContact O-N 2.78Å; D28-K31 WeakPolarHBondContact OD1-CE 3.46Å; D28-K31 IonicContact OD1-NZ 2.88Å; D28-K31 PolarHBondContact OD1-NZ 3.45Å; D28-T32 VanDerWaalsContact O-CB 3.28Å; D28-T32 WeakPolarHBondContact O-CB 3.41Å; D28-T32 PolarHBondContact O-N 3.38Å; D28-T32 PolarHBondContact O-OG1 3.17Å |
| 29 | S | 98.1 | Very high | 97.5 | Very high | 82 Ų | 82 | 84.2 Ų | 84.2 | 57% | 0.573 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.6 | -40 | 175.1 | 55.8 | 0 | 0 | 0 | 0 | 113 | S27 T32 W33 | S27-S29 PolarHBondContact O-N 3.2Å; S27-S29 PolarHBondContact OG-OG 2.9Å; S29-T32 PolarHBondContact O-N 2.94Å; S29-W33 WeakPolarHBondContact O-CB 3.15Å; S29-W33 PolarHBondContact O-N 3.09Å |
| 30 | V | 97.8 | Very high | 97.6 | Very high | 52 Ų | 52 | 86.2 Ų | 86.2 | 32% | 0.315 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.3 | -46.1 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 110.5 | C26 S27 D28 T32 W33 L34 | C26-V30 HydrophobicContact CB-CB 4.13Å; C26-V30 HydrophobicContact CB-CG1 4.15Å; S27-V30 PolarHBondContact O-N 3.22Å; S27-V30 VanDerWaalsContact O-N 3.13Å; D28-V30 PolarHBondContact O-N 3.15Å; V30-T32 VanDerWaalsContact C-N 3.32Å; V30-T32 PolarHBondContact O-N 2.84Å; V30-W33 PolarHBondContact O-N 2.92Å; V30-L34 HydrophobicContact CG1-CD1 4.33Å; V30-L34 WeakPolarHBondContact O-CG 3.42Å; V30-L34 PolarHBondContact O-N 3.37Å |
| 31 | K | 97.4 | Very high | 97.7 | Very high | 53 Ų | 53 | 86 Ų | 86 | 23% | 0.23 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -63 | -41.3 | 178.5 | -66.3 | 175.7 | -66.9 | -175.2 | 0 | 111.2 | S27 D28 L34 R35 L63 | S27-K31 PolarHBondContact O-N 2.93Å; D28-K31 PolarHBondContact O-N 2.78Å; D28-K31 WeakPolarHBondContact OD1-CE 3.46Å; D28-K31 IonicContact OD1-NZ 2.88Å; D28-K31 PolarHBondContact OD1-NZ 3.45Å; K31-L34 PolarHBondContact O-N 2.86Å; K31-R35 WeakPolarHBondContact O-CG 3.48Å; K31-R35 PolarHBondContact O-N 3.45Å; K31-L63 VanDerWaalsContact CD-O 3.24Å; K31-L63 WeakPolarHBondContact CD-O 3.47Å; K31-L63 HydrophobicContact CG-CD2 4.24Å |
| 32 | T | 98 | Very high | 97.7 | Very high | 90 Ų | 90 | 82.6 Ų | 82.6 | 55% | 0.552 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.8 | -43.2 | 176.1 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | D28 S29 V30 R35 S36 | D28-T32 VanDerWaalsContact O-CB 3.28Å; D28-T32 WeakPolarHBondContact O-CB 3.41Å; D28-T32 PolarHBondContact O-N 3.38Å; D28-T32 PolarHBondContact O-OG1 3.17Å; S29-T32 PolarHBondContact O-N 2.94Å; V30-T32 VanDerWaalsContact C-N 3.32Å; V30-T32 PolarHBondContact O-N 2.84Å; T32-R35 PolarHBondContact O-N 3.17Å; T32-S36 PolarHBondContact O-N 3Å |
| 33 | W | 98.4 | Very high | 97.8 | Very high | 148 Ų | 148 | 83.3 Ų | 83.3 | 56% | 0.561 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -64.5 | -43.7 | 177.8 | 174.5 | 60.4 | 0 | 0 | 0 | 112.7 | S29 V30 R35 S36 M37 | S29-W33 WeakPolarHBondContact O-CB 3.15Å; S29-W33 PolarHBondContact O-N 3.09Å; V30-W33 PolarHBondContact O-N 2.92Å; W33-R35 VanDerWaalsContact C-N 3.3Å; W33-R35 PolarHBondContact O-N 3.06Å; W33-S36 WeakPolarHBondContact CA-OG 3.22Å; W33-S36 PolarHBondContact O-N 2.79Å; W33-S36 PolarHBondContact O-OG 2.84Å; W33-M37 VanDerWaalsContact O-CG 3.29Å; W33-M37 WeakPolarHBondContact O-CG 3.37Å; W33-M37 PolarHBondContact O-N 3.47Å |
| 34 | L | 98.3 | Very high | 97.8 | Very high | 23 Ų | 23 | 82.8 Ų | 82.8 | 12% | 0.12 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -59.1 | -43.6 | 174.3 | -68.3 | 171.4 | 0 | 0 | 0 | 111.3 | V30 K31 M37 K38 L44 L63 L70 F71 | V30-L34 HydrophobicContact CG1-CD1 4.33Å; V30-L34 WeakPolarHBondContact O-CG 3.42Å; V30-L34 PolarHBondContact O-N 3.37Å; K31-L34 PolarHBondContact O-N 2.86Å; L34-M37 PolarHBondContact O-N 2.73Å; L34-K38 PolarHBondContact O-N 3.27Å; L34-L44 HydrophobicContact CB-CD2 4.27Å; L34-L44 HydrophobicContact CD2-CD2 3.88Å; L34-L44 WeakPolarHBondContact O-CD2 3.43Å; L34-L63 HydrophobicContact CD1-CD2 4.07Å; L34-L70 HydrophobicContact CB-CD2 4.48Å; L34-L70 HydrophobicContact CD1-CD1 4.12Å; L34-F71 HydrophobicContact CD1-CZ 4.47Å |
| 35 | R | 97.9 | Very high | 97.9 | Very high | 133 Ų | 133 | 78.9 Ų | 78.9 | 50% | 0.502 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 175.3 | -70.8 | -179.6 | -179.2 | -168.5 | 0.2 | 111.9 | K31 T32 W33 M37 K38 T39 D66 L70 | K31-R35 WeakPolarHBondContact O-CG 3.48Å; K31-R35 PolarHBondContact O-N 3.45Å; T32-R35 PolarHBondContact O-N 3.17Å; W33-R35 VanDerWaalsContact C-N 3.3Å; W33-R35 PolarHBondContact O-N 3.06Å; R35-M37 VanDerWaalsContact C-N 3.28Å; R35-M37 PolarHBondContact O-N 3.13Å; R35-K38 PolarHBondContact O-N 3.31Å; R35-K38 VanDerWaalsContact O-N 3.15Å; R35-T39 PolarHBondContact O-N 3.49Å; R35-T39 PolarHBondContact O-OG1 3.22Å; R35-D66 IonicContact NH2-OD2 2.78Å; R35-D66 PolarHBondContact NH2-OD2 3.23Å; R35-L70 HydrophobicContact CG-CD2 3.62Å |
| 36 | S | 98.4 | Very high | 97.9 | Very high | 59 Ų | 59 | 77.2 Ų | 77.2 | 41% | 0.413 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.6 | -35.6 | 179.2 | 69.1 | 0 | 0 | 0 | 0 | 112.3 | T32 W33 T39 A40 | T32-S36 PolarHBondContact O-N 3Å; W33-S36 WeakPolarHBondContact CA-OG 3.22Å; W33-S36 PolarHBondContact O-N 2.79Å; W33-S36 PolarHBondContact O-OG 2.84Å; S36-T39 PolarHBondContact O-N 3.43Å; S36-A40 WeakPolarHBondContact O-CB 3.27Å; S36-A40 PolarHBondContact O-N 3.32Å |
| 37 | M | 98.4 | Very high | 97.8 | Very high | 65 Ų | 65 | 77.6 Ų | 77.6 | 32% | 0.32 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 174.4 | -70.1 | -70.3 | -75.1 | 0 | 0 | 111.3 | W33 L34 R35 A40 K42 L44 | W33-M37 VanDerWaalsContact O-CG 3.29Å; W33-M37 WeakPolarHBondContact O-CG 3.37Å; W33-M37 PolarHBondContact O-N 3.47Å; L34-M37 PolarHBondContact O-N 2.73Å; R35-M37 VanDerWaalsContact C-N 3.28Å; R35-M37 PolarHBondContact O-N 3.13Å; M37-A40 PolarHBondContact O-N 3.41Å; M37-K42 HydrophobicContact CB-CB 4.44Å; M37-K42 HydrophobicContact CE-CB 4.36Å; M37-K42 HydrophobicContact CE-CG 3.92Å; M37-K42 VanDerWaalsContact O-CB 3.23Å; M37-K42 WeakPolarHBondContact O-CB 3.41Å; M37-K42 WeakPolarHBondContact O-CG 3.3Å; M37-K42 PolarHBondContact O-N 3.18Å; M37-K42 HydrophobicContact SD-CG 4.39Å; M37-L44 HydrophobicContact CB-CD1 3.92Å; M37-L44 HydrophobicContact CB-CD2 4.19Å |
| 38 | K | 96.8 | Very high | 97.7 | Very high | 59 Ų | 59 | 76.1 Ų | 76.1 | 26% | 0.257 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 173.3 | -74.2 | -168.1 | 69.5 | 155.2 | 0 | 112.1 | L34 R35 A40 G41 L44 Q69 L70 F71 D72 | L34-K38 PolarHBondContact O-N 3.27Å; R35-K38 PolarHBondContact O-N 3.31Å; R35-K38 VanDerWaalsContact O-N 3.15Å; K38-A40 PolarHBondContact O-N 3.39Å; K38-G41 PolarHBondContact O-N 3.12Å; K38-L44 HydrophobicContact CG-CD1 3.64Å; K38-L44 HydrophobicContact CG-CD2 4.06Å; K38-L44 HydrophobicContact CG-CG 4.28Å; K38-Q69 WeakPolarHBondContact CD-O 3.23Å; K38-Q69 PolarHBondContact NZ-O 2.94Å; K38-L70 WeakPolarHBondContact CD-O 3.01Å; K38-F71 PolarHBondContact NZ-O 2.82Å; K38-F71 VanDerWaalsContact NZ-O 3.09Å; K38-D72 WeakPolarHBondContact CE-OD1 3.29Å; K38-D72 IonicContact NZ-OD1 2.67Å; K38-D72 PolarHBondContact NZ-OD1 2.87Å |
| 39 | T | 97.1 | Very high | 97.6 | Very high | 128 Ų | 128 | 73 Ų | 73 | 79% | 0.785 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -60.4 | -32.7 | 177.5 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | R35 S36 G41 | R35-T39 PolarHBondContact O-N 3.49Å; R35-T39 PolarHBondContact O-OG1 3.22Å; S36-T39 PolarHBondContact O-N 3.43Å; T39-G41 PolarHBondContact O-N 3.42Å |
| 40 | A | 98.3 | Very high | 97.4 | Very high | 70 Ų | 70 | 71 Ų | 71 | 58% | 0.579 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 9.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114 | S36 M37 K38 K42 | S36-A40 WeakPolarHBondContact O-CB 3.27Å; S36-A40 PolarHBondContact O-N 3.32Å; M37-A40 PolarHBondContact O-N 3.41Å; K38-A40 PolarHBondContact O-N 3.39Å; A40-K42 PolarHBondContact O-N 3.43Å |
| 41 | G | 97.9 | Very high | 97.1 | Very high | 61 Ų | 61 | 71.2 Ų | 71.2 | 63% | 0.629 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 17.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K38 T39 | K38-G41 PolarHBondContact O-N 3.12Å; T39-G41 PolarHBondContact O-N 3.42Å |
| 42 | K | 98.4 | Very high | 96.9 | Very high | 114 Ų | 114 | 69.2 Ų | 69.2 | 50% | 0.496 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 143.1 | 174.2 | -52.8 | -58.2 | -178.5 | -173.5 | 0 | 110.1 | M37 A40 L44 | M37-K42 HydrophobicContact CB-CB 4.44Å; M37-K42 HydrophobicContact CE-CB 4.36Å; M37-K42 HydrophobicContact CE-CG 3.92Å; M37-K42 VanDerWaalsContact O-CB 3.23Å; M37-K42 WeakPolarHBondContact O-CB 3.41Å; M37-K42 WeakPolarHBondContact O-CG 3.3Å; M37-K42 PolarHBondContact O-N 3.18Å; M37-K42 HydrophobicContact SD-CG 4.39Å; A40-K42 PolarHBondContact O-N 3.43Å; K42-L44 HydrophobicContact CB-CD1 3.88Å; K42-L44 VanDerWaalsContact O-CD1 3.23Å; K42-L44 WeakPolarHBondContact O-CD1 3.41Å |
| 43 | I | 98.1 | Very high | 96.6 | Very high | 127 Ų | 127 | 68.1 Ų | 68.1 | 65% | 0.651 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -88.9 | 119.1 | 171.4 | -55.4 | -57.7 | 0 | 0 | 0 | 108.7 | I45 D72 | I43-I45 HydrophobicContact CG2-CD1 4.42Å; I43-I45 HydrophobicContact CG2-CG1 4.14Å; I43-D72 WeakPolarHBondContact CA-OD2 3.14Å; I43-D72 HydrophobicContact CG2-CB 4.09Å |
| 44 | L | 98.3 | Very high | 96.4 | Very high | 18 Ų | 18 | 62.1 Ų | 62.1 | 9% | 0.094 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -103.9 | 127.8 | -179.3 | -76.9 | 70.5 | 0 | 0 | 0 | 109.9 | L34 M37 K38 K42 L70 F71 D72 V73 | L34-L44 HydrophobicContact CB-CD2 4.27Å; L34-L44 HydrophobicContact CD2-CD2 3.88Å; L34-L44 WeakPolarHBondContact O-CD2 3.43Å; M37-L44 HydrophobicContact CB-CD1 3.92Å; M37-L44 HydrophobicContact CB-CD2 4.19Å; K38-L44 HydrophobicContact CG-CD1 3.64Å; K38-L44 HydrophobicContact CG-CD2 4.06Å; K38-L44 HydrophobicContact CG-CG 4.28Å; K42-L44 HydrophobicContact CB-CD1 3.88Å; K42-L44 VanDerWaalsContact O-CD1 3.23Å; K42-L44 WeakPolarHBondContact O-CD1 3.41Å; L44-L70 WeakPolarHBondContact CD2-O 2.94Å; L44-F71 HydrophobicContact CB-CD1 4.12Å; L44-D72 PolarHBondContact N-OD2 3.37Å; L44-D72 PolarHBondContact O-N 3.18Å; L44-V73 PolarHBondContact O-N 3.28Å |
| 45 | I | 97.8 | Very high | 96.3 | Very high | 89 Ų | 89 | 61.5 Ų | 61.5 | 46% | 0.456 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129.4 | -178.1 | -52.1 | 179.1 | 0 | 0 | 0 | 109.7 | I43 I47 V73 I75 | I43-I45 HydrophobicContact CG2-CD1 4.42Å; I43-I45 HydrophobicContact CG2-CG1 4.14Å; I45-I47 HydrophobicContact CG2-CD1 4Å; I45-I47 HydrophobicContact CG2-CG1 3.63Å; I45-V73 WeakPolarHBondContact CA-O 3.13Å; I45-V73 HydrophobicContact CG1-CB 4.25Å; I45-V73 HydrophobicContact CG2-CB 4.09Å; I45-V73 HydrophobicContact CG2-CG1 4.4Å; I45-I75 HydrophobicContact CG2-CD1 4.47Å |
| 46 | L | 97.7 | Very high | 96.2 | Very high | 40 Ų | 40 | 59.4 Ų | 59.4 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 121.8 | 169.7 | 174.4 | 59.6 | 0 | 0 | 0 | 109.7 | F71 V73 I74 I75 | L46-F71 HydrophobicContact CB-CD1 3.88Å; L46-F71 HydrophobicContact CB-CD2 4.36Å; L46-F71 HydrophobicContact CB-CE1 4.05Å; L46-F71 HydrophobicContact CB-CG 4.05Å; L46-F71 HydrophobicContact CB-CZ 4.36Å; L46-F71 HydrophobicContact CD2-CE2 4.28Å; L46-V73 PolarHBondContact N-O 2.98Å; L46-I74 HydrophobicContact CB-CG1 4.22Å; L46-I74 HydrophobicContact CB-CG2 4.45Å; L46-I74 HydrophobicContact CD2-CG2 4.12Å; L46-I74 HydrophobicContact CG-CG2 4.42Å; L46-I75 PolarHBondContact O-N 3.09Å |
| 47 | I | 96.8 | Very high | 96.1 | Very high | 44 Ų | 44 | 58.1 Ų | 58.1 | 23% | 0.226 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 107.3 | 179.3 | -50.5 | -179.5 | 0 | 0 | 0 | 110.7 | I45 I75 A78 K80 F83 F84 | I45-I47 HydrophobicContact CG2-CD1 4Å; I45-I47 HydrophobicContact CG2-CG1 3.63Å; I47-I75 WeakPolarHBondContact CA-O 3.5Å; I47-I75 HydrophobicContact CD1-CD1 4.45Å; I47-I75 HydrophobicContact CG1-CB 4.37Å; I47-I75 HydrophobicContact CG1-CD1 4.31Å; I47-I75 HydrophobicContact CG2-CB 4.39Å; I47-A78 HydrophobicContact CG2-CB 3.57Å; I47-K80 PolarHBondContact O-NZ 3.25Å; I47-F83 HydrophobicContact CD1-CE1 3.9Å; I47-F83 HydrophobicContact CD1-CZ 4.49Å; I47-F83 HydrophobicContact CG2-CD1 4.18Å; I47-F83 HydrophobicContact CG2-CE1 4.16Å; I47-F83 HydrophobicContact CG2-CZ 4.48Å; I47-F84 HydrophobicContact CD1-CE1 4.13Å; I47-F84 HydrophobicContact CD1-CZ 4.03Å; I47-F84 HydrophobicContact CG2-CZ 4.34Å |
| 48 | T | 96.3 | Very high | 96 | Very high | 29 Ų | 29 | 56.4 Ų | 56.4 | 18% | 0.178 | 32% | 0.321 | C | S | . | . | trans | -122 | 143.4 | -178.9 | -172.4 | 0 | 0 | 0 | 0 | 112.4 | S50 C55 I75 T76 N77 A78 | T48-S50 WeakPolarHBondContact OG1-CB 3.45Å; T48-S50 PolarHBondContact OG1-N 3.39Å; T48-S50 PolarHBondContact OG1-OG 3.25Å; T48-C55 HydrophobicContact CG2-CB 4.02Å; T48-I75 PolarHBondContact N-O 3.4Å; T48-T76 HydrophobicContact CG2-CG2 3.93Å; T48-T76 CarbonylContact O-C 3.37Å; T48-T76 WeakPolarHBondContact O-CA 3.46Å; T48-N77 PolarHBondContact O-N 3.05Å; T48-N77 VanDerWaalsContact O-N 3.15Å; T48-A78 VanDerWaalsContact O-CB 3.32Å; T48-A78 WeakPolarHBondContact O-CB 3.32Å; T48-A78 PolarHBondContact O-N 3.04Å | ||
| 49 | S | 94.4 | Very high | 96 | Very high | 48 Ų | 48 | 54.1 Ų | 54.1 | 34% | 0.336 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -78.7 | -9.1 | 171.7 | -61 | 0 | 0 | 0 | 0 | 112.5 | K80 | S49-K80 PolarHBondContact OG-N 3.04Å; S49-K80 VanDerWaalsContact OG-N 3.13Å |
| 50 | S | 92.9 | Very high | 96.1 | Very high | 40 Ų | 40 | 51.2 Ų | 51.2 | 28% | 0.28 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -70.8 | 156.7 | -179.8 | -63.9 | 0 | 0 | 0 | 0 | 112.3 | T48 N77 | T48-S50 WeakPolarHBondContact OG1-CB 3.45Å; T48-S50 PolarHBondContact OG1-N 3.39Å; T48-S50 PolarHBondContact OG1-OG 3.25Å; S50-N77 PolarHBondContact O-N 3.46Å; S50-N77 PolarHBondContact O-OD1 2.98Å |
| 51 | H | 92.3 | Very high | 96.1 | Very high | 58 Ų | 58 | 51 Ų | 51 | 27% | 0.269 | 28% | 0.275 | S | S | . | . | trans | -61.3 | 152.1 | 169.5 | -157.6 | -99.5 | 0 | 0 | 0 | 111.4 | C2 D53 Y54 C55 N77 | C2-H51 VanDerWaalsContact SG-CB 3.56Å; H51-D53 VanDerWaalsContact C-N 3.32Å; H51-D53 IonicContact CE1-OD2 3.23Å; H51-D53 PolarHBondContact CE1-OD2 3.37Å; H51-D53 VanDerWaalsContact CE1-OD2 3.23Å; H51-D53 IonicContact ND1-OD2 3Å; H51-D53 PolarHBondContact ND1-OD2 3.44Å; H51-D53 PolarHBondContact O-N 2.89Å; H51-Y54 PolarHBondContact O-N 2.79Å; H51-C55 PolarHBondContact O-N 3.31Å; H51-N77 WeakPolarHBondContact CA-OD1 3.23Å; H51-N77 PolarHBondContact CD2-ND2 2.83Å | ||
| 52 | S | 92.9 | Very high | 96.1 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 8% | 0.077 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56 | -43.8 | -179.3 | 51.6 | 0 | 0 | 0 | 0 | 113.2 | Y54 C55 K56 | S52-Y54 VanDerWaalsContact C-N 3.33Å; S52-Y54 PolarHBondContact O-N 3.35Å; S52-C55 WeakPolarHBondContact O-CB 3.33Å; S52-C55 PolarHBondContact O-N 3.28Å; S52-K56 WeakPolarHBondContact O-CB 3.49Å; S52-K56 PolarHBondContact O-N 3.45Å |
| 53 | D | 92.1 | Very high | 96.1 | Very high | 67 Ų | 67 | 45.1 Ų | 45.1 | 36% | 0.358 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.8 | -34.5 | -177 | -48.6 | -49.5 | 0 | 0 | 0 | 112.2 | Y4 T5 H51 L57 | Y4-D53 HydrophobicContact CD1-CB 3.72Å; Y4-D53 VanDerWaalsContact CE1-C 3.48Å; Y4-D53 HydrophobicContact CE1-CB 3.33Å; Y4-D53 PolarHBondContact OH-O 2.87Å; T5-D53 VanDerWaalsContact CG2-OD2 3.27Å; T5-D53 WeakPolarHBondContact CG2-OD2 3.04Å; H51-D53 VanDerWaalsContact C-N 3.32Å; H51-D53 IonicContact CE1-OD2 3.23Å; H51-D53 PolarHBondContact CE1-OD2 3.37Å; H51-D53 VanDerWaalsContact CE1-OD2 3.23Å; H51-D53 IonicContact ND1-OD2 3Å; H51-D53 PolarHBondContact ND1-OD2 3.44Å; H51-D53 PolarHBondContact O-N 2.89Å; D53-L57 PolarHBondContact O-N 3.32Å |
| 54 | Y | 93.8 | Very high | 96 | Very high | 22 Ų | 22 | 40.1 Ų | 40.1 | 9% | 0.086 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71.9 | -43.3 | 174.7 | -172.7 | -132 | 0 | 0 | 0 | 111 | Y4 Y11 F12 I15 H51 S52 K56 L57 I58 | Y4-Y54 AromaticContact CD2-CD2 3.44Å; Y4-Y54 HydrophobicContact CD2-CD2 3.44Å; Y4-Y54 VanDerWaalsContact CD2-CD2 3.44Å; Y4-Y54 HydrophobicContact CD2-CE2 4.31Å; Y4-Y54 AromaticContact CD2-CG 3.86Å; Y4-Y54 HydrophobicContact CD2-CG 3.86Å; Y4-Y54 AromaticContact CE2-CD2 3.39Å; Y4-Y54 HydrophobicContact CE2-CD2 3.39Å; Y4-Y54 HydrophobicContact CE2-CE2 4.27Å; Y4-Y54 HydrophobicContact CE2-CG 4.12Å; Y4-Y54 HydrophobicContact CG-CD2 4.38Å; Y4-Y54 HydrophobicContact CG-CG 4.39Å; Y11-Y54 PolarHBondContact OH-OH 3.21Å; Y11-Y54 VanDerWaalsContact OH-OH 3.09Å; F12-Y54 HydrophobicContact CD1-CD2 4.1Å; F12-Y54 HydrophobicContact CD1-CE1 4.46Å; F12-Y54 AromaticContact CD1-CE2 3.96Å; F12-Y54 HydrophobicContact CD1-CE2 3.96Å; F12-Y54 HydrophobicContact CD1-CG 4.39Å; F12-Y54 AromaticContact CE1-CD1 3.94Å; F12-Y54 HydrophobicContact CE1-CD1 3.94Å; F12-Y54 HydrophobicContact CE1-CD2 4.27Å; F12-Y54 AromaticContact CE1-CE1 3.86Å; F12-Y54 HydrophobicContact CE1-CE1 3.86Å; F12-Y54 HydrophobicContact CE1-CE2 4.18Å; F12-Y54 HydrophobicContact CE1-CG 4.14Å; F12-Y54 AromaticContact CE1-CZ 3.98Å; I15-Y54 HydrophobicContact CD1-CE2 4.49Å; I15-Y54 VanDerWaalsContact CD1-OH 3.23Å; I15-Y54 WeakPolarHBondContact CD1-OH 3.26Å; I15-Y54 HydrophobicContact CG2-CE2 4.23Å; H51-Y54 PolarHBondContact O-N 2.79Å; S52-Y54 VanDerWaalsContact C-N 3.33Å; S52-Y54 PolarHBondContact O-N 3.35Å; Y54-K56 VanDerWaalsContact C-N 3.25Å; Y54-K56 PolarHBondContact O-N 3.37Å; Y54-L57 PolarHBondContact O-N 3.16Å; Y54-I58 HydrophobicContact CD2-CD1 4.37Å; Y54-I58 HydrophobicContact CD2-CG1 4.08Å; Y54-I58 HydrophobicContact CE1-CG1 4.23Å; Y54-I58 HydrophobicContact CE2-CD1 3.66Å; Y54-I58 HydrophobicContact CE2-CG1 3.8Å; Y54-I58 HydrophobicContact CG-CG1 4.45Å; Y54-I58 VanDerWaalsContact O-CG1 3.32Å; Y54-I58 WeakPolarHBondContact O-CG1 3.24Å; Y54-I58 PolarHBondContact O-N 3.3Å |
| 55 | C | 96.1 | Very high | 95.9 | Very high | 9 Ų | 9 | 47.9 Ų | 47.9 | 6% | 0.061 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.8 | -45.5 | 173.1 | -175.8 | 0 | 0 | 0 | 0 | 111 | T48 H51 S52 I58 C59 T76 | T48-C55 HydrophobicContact CG2-CB 4.02Å; H51-C55 PolarHBondContact O-N 3.31Å; S52-C55 WeakPolarHBondContact O-CB 3.33Å; S52-C55 PolarHBondContact O-N 3.28Å; C55-I58 PolarHBondContact O-N 2.81Å; C55-C59 VanDerWaalsContact O-CB 3.29Å; C55-C59 WeakPolarHBondContact O-CB 3.43Å; C55-C59 PolarHBondContact O-N 3.49Å; C55-C59 PolarHBondContact O-SG 2.96Å; C55-T76 HydrophobicContact CB-CG2 3.85Å |
| 56 | K | 95.4 | Very high | 95.8 | Very high | 89 Ų | 89 | 46.3 Ų | 46.3 | 39% | 0.387 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.7 | -50.8 | 177.8 | -175.9 | 176.5 | 176.8 | -175.8 | 0 | 111.4 | S52 Y54 I58 C59 E60 F67 | S52-K56 WeakPolarHBondContact O-CB 3.49Å; S52-K56 PolarHBondContact O-N 3.45Å; Y54-K56 VanDerWaalsContact C-N 3.25Å; Y54-K56 PolarHBondContact O-N 3.37Å; K56-I58 VanDerWaalsContact C-N 3.34Å; K56-I58 PolarHBondContact O-N 3.01Å; K56-C59 PolarHBondContact O-N 3.42Å; K56-E60 WeakPolarHBondContact CE-OE1 3.23Å; K56-E60 HydrophobicContact CG-CG 4.08Å; K56-E60 IonicContact NZ-OE1 2.86Å; K56-E60 VanDerWaalsContact O-CB 3.31Å; K56-E60 WeakPolarHBondContact O-CB 3.33Å; K56-E60 VanDerWaalsContact O-CG 3.27Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 3.11Å; K56-F67 HydrophobicContact CG-CE1 4.32Å |
| 57 | L | 95.6 | Very high | 95.8 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -56.4 | -48.4 | 178.4 | 177 | 148.8 | 0 | 0 | 0 | 112 | Y4 I15 K16 L23 D53 Y54 F61 | Y4-L57 HydrophobicContact CE2-CD1 4.25Å; Y4-L57 VanDerWaalsContact OH-CB 3.3Å; Y4-L57 WeakPolarHBondContact OH-CB 3.33Å; Y4-L57 WeakPolarHBondContact OH-CD1 3.23Å; I15-L57 HydrophobicContact CG2-CD2 3.98Å; K16-L57 HydrophobicContact CB-CD1 4.32Å; K16-L57 HydrophobicContact CG-CD1 3.66Å; L23-L57 HydrophobicContact CD1-CD2 4.5Å; D53-L57 PolarHBondContact O-N 3.32Å; Y54-L57 PolarHBondContact O-N 3.16Å; L57-F61 WeakPolarHBondContact O-CB 3.4Å; L57-F61 PolarHBondContact O-N 2.96Å |
| 58 | I | 96.9 | Very high | 95.8 | Very high | 30 Ų | 30 | 46.7 Ų | 46.7 | 15% | 0.154 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -55.4 | 179.8 | -63.1 | -60.6 | 0 | 0 | 0 | 109.4 | I15 L23 Y54 C55 K56 E60 F61 I62 | I15-I58 HydrophobicContact CG2-CD1 4.32Å; L23-I58 HydrophobicContact CD1-CD1 3.35Å; L23-I58 HydrophobicContact CD2-CD1 3.63Å; L23-I58 HydrophobicContact CG-CD1 4.11Å; Y54-I58 HydrophobicContact CD2-CD1 4.37Å; Y54-I58 HydrophobicContact CD2-CG1 4.08Å; Y54-I58 HydrophobicContact CE1-CG1 4.23Å; Y54-I58 HydrophobicContact CE2-CD1 3.66Å; Y54-I58 HydrophobicContact CE2-CG1 3.8Å; Y54-I58 HydrophobicContact CG-CG1 4.45Å; Y54-I58 VanDerWaalsContact O-CG1 3.32Å; Y54-I58 WeakPolarHBondContact O-CG1 3.24Å; Y54-I58 PolarHBondContact O-N 3.3Å; C55-I58 PolarHBondContact O-N 2.81Å; K56-I58 VanDerWaalsContact C-N 3.34Å; K56-I58 PolarHBondContact O-N 3.01Å; I58-E60 PolarHBondContact O-N 3.41Å; I58-F61 WeakPolarHBondContact O-CB 3.38Å; I58-F61 PolarHBondContact O-N 3.1Å; I58-F61 VanDerWaalsContact O-N 3.12Å; I58-I62 HydrophobicContact CG2-CD1 4.26Å; I58-I62 HydrophobicContact CG2-CG1 4.18Å; I58-I62 WeakPolarHBondContact O-CG1 3.36Å; I58-I62 PolarHBondContact O-N 3.46Å |
| 59 | C | 97.9 | Very high | 95.9 | Very high | 10 Ų | 10 | 51.7 Ų | 51.7 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -38.5 | -174.1 | -67.9 | 0 | 0 | 0 | 0 | 113 | C55 K56 F61 I62 L63 G64 F67 | C55-C59 VanDerWaalsContact O-CB 3.29Å; C55-C59 WeakPolarHBondContact O-CB 3.43Å; C55-C59 PolarHBondContact O-N 3.49Å; C55-C59 PolarHBondContact O-SG 2.96Å; K56-C59 PolarHBondContact O-N 3.42Å; C59-F61 VanDerWaalsContact C-N 3.26Å; C59-F61 PolarHBondContact O-N 3.36Å; C59-I62 PolarHBondContact O-N 2.68Å; C59-L63 WeakPolarHBondContact O-CA 3.27Å; C59-L63 WeakPolarHBondContact O-CB 3.33Å; C59-L63 PolarHBondContact O-N 2.7Å; C59-G64 PolarHBondContact O-N 3.48Å; C59-F67 HydrophobicContact CB-CB 4.16Å; C59-F67 HydrophobicContact CB-CD1 3.78Å; C59-F67 HydrophobicContact CB-CD2 3.31Å; C59-F67 HydrophobicContact CB-CE1 3.97Å; C59-F67 HydrophobicContact CB-CE2 3.49Å; C59-F67 VanDerWaalsContact CB-CE2 3.49Å; C59-F67 HydrophobicContact CB-CG 3.45Å; C59-F67 VanDerWaalsContact CB-CG 3.45Å; C59-F67 HydrophobicContact CB-CZ 3.83Å |
| 60 | E | 97.6 | Very high | 96 | Very high | 68 Ų | 68 | 49.6 Ų | 49.6 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.7 | -38.8 | 174.1 | -73.5 | -173.3 | 163.7 | 0 | 0 | 111.5 | K56 I58 G64 F67 | K56-E60 WeakPolarHBondContact CE-OE1 3.23Å; K56-E60 HydrophobicContact CG-CG 4.08Å; K56-E60 IonicContact NZ-OE1 2.86Å; K56-E60 VanDerWaalsContact O-CB 3.31Å; K56-E60 WeakPolarHBondContact O-CB 3.33Å; K56-E60 VanDerWaalsContact O-CG 3.27Å; K56-E60 WeakPolarHBondContact O-CG 3.48Å; K56-E60 PolarHBondContact O-N 3.11Å; I58-E60 PolarHBondContact O-N 3.41Å; E60-G64 WeakPolarHBondContact CA-O 3.48Å; E60-G64 CarbonylContact O-C 3.36Å; E60-G64 VanDerWaalsContact O-CA 3.23Å; E60-G64 WeakPolarHBondContact O-CA 3.46Å; E60-G64 PolarHBondContact O-N 3.34Å; E60-F67 HydrophobicContact CG-CD1 4.01Å; E60-F67 HydrophobicContact CG-CE1 3.96Å |
| 61 | F | 98.2 | Very high | 96.3 | Very high | 64 Ų | 64 | 49 Ų | 49 | 28% | 0.281 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -71.3 | -47.1 | 177.4 | -172 | -90.8 | 0 | 0 | 0 | 112.4 | P19 A20 L23 P25 L57 I58 C59 | P19-F61 HydrophobicContact CB-CD1 4.38Å; P19-F61 HydrophobicContact CB-CD2 3.69Å; P19-F61 HydrophobicContact CB-CE2 3.86Å; P19-F61 HydrophobicContact CB-CG 3.98Å; P19-F61 HydrophobicContact CB-CZ 4.29Å; P19-F61 HydrophobicContact CG-CD2 3.58Å; P19-F61 HydrophobicContact CG-CE2 3.63Å; P19-F61 HydrophobicContact CG-CG 4.36Å; P19-F61 HydrophobicContact CG-CZ 4.44Å; A20-F61 VanDerWaalsContact CA-CZ 3.45Å; A20-F61 HydrophobicContact CB-CE2 4.31Å; A20-F61 HydrophobicContact CB-CZ 3.74Å; L23-F61 HydrophobicContact CB-CD1 3.6Å; L23-F61 HydrophobicContact CB-CE1 3.71Å; L23-F61 HydrophobicContact CD1-CB 4.32Å; L23-F61 HydrophobicContact CD1-CD1 3.92Å; L23-F61 HydrophobicContact CD1-CG 4.24Å; L23-F61 HydrophobicContact CG-CD1 4.42Å; L23-F61 WeakPolarHBondContact O-CE1 3.43Å; P25-F61 HydrophobicContact CG-CE1 3.85Å; P25-F61 HydrophobicContact CG-CZ 4.26Å; L57-F61 WeakPolarHBondContact O-CB 3.4Å; L57-F61 PolarHBondContact O-N 2.96Å; I58-F61 WeakPolarHBondContact O-CB 3.38Å; I58-F61 PolarHBondContact O-N 3.1Å; I58-F61 VanDerWaalsContact O-N 3.12Å; C59-F61 VanDerWaalsContact C-N 3.26Å; C59-F61 PolarHBondContact O-N 3.36Å |
| 62 | I | 98.2 | Very high | 96.6 | Very high | 37 Ų | 37 | 49.7 Ų | 49.7 | 19% | 0.19 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -86.6 | -31.1 | -171.6 | 62.9 | 151.5 | 0 | 0 | 0 | 114.3 | L23 Q24 C26 I58 C59 | L23-I62 HydrophobicContact CB-CG2 4.06Å; Q24-I62 WeakPolarHBondContact O-CG2 3.28Å; C26-I62 VanDerWaalsContact CB-O 3.27Å; C26-I62 WeakPolarHBondContact CB-O 3.32Å; C26-I62 PolarHBondContact N-O 2.86Å; I58-I62 HydrophobicContact CG2-CD1 4.26Å; I58-I62 HydrophobicContact CG2-CG1 4.18Å; I58-I62 WeakPolarHBondContact O-CG1 3.36Å; I58-I62 PolarHBondContact O-N 3.46Å; C59-I62 PolarHBondContact O-N 2.68Å |
| 63 | L | 98.1 | Very high | 96.8 | Very high | 16 Ų | 16 | 52.3 Ų | 52.3 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -114.8 | -17 | -174.3 | -68.4 | 168.4 | 0 | 0 | 0 | 112.9 | C26 K31 L34 C59 F67 L70 F71 | C26-L63 HydrophobicContact CB-CD2 4Å; K31-L63 VanDerWaalsContact CD-O 3.24Å; K31-L63 WeakPolarHBondContact CD-O 3.47Å; K31-L63 HydrophobicContact CG-CD2 4.24Å; L34-L63 HydrophobicContact CD1-CD2 4.07Å; C59-L63 WeakPolarHBondContact O-CA 3.27Å; C59-L63 WeakPolarHBondContact O-CB 3.33Å; C59-L63 PolarHBondContact O-N 2.7Å; L63-F67 HydrophobicContact CB-CB 3.79Å; L63-F67 HydrophobicContact CD1-CB 4.41Å; L63-L70 HydrophobicContact CB-CD1 4.04Å; L63-L70 HydrophobicContact CD1-CD1 4.4Å; L63-L70 HydrophobicContact CD2-CD1 4.24Å; L63-L70 HydrophobicContact CG-CD1 4.46Å; L63-F71 HydrophobicContact CD1-CE2 4.05Å; L63-F71 HydrophobicContact CD1-CZ 4.22Å |
| 64 | G | 97.4 | Very high | 97 | Very high | 22 Ų | 22 | 52 Ų | 52 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | trans | 107.3 | 163 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | C59 E60 D66 F67 | C59-G64 PolarHBondContact O-N 3.48Å; E60-G64 WeakPolarHBondContact CA-O 3.48Å; E60-G64 CarbonylContact O-C 3.36Å; E60-G64 VanDerWaalsContact O-CA 3.23Å; E60-G64 WeakPolarHBondContact O-CA 3.46Å; E60-G64 PolarHBondContact O-N 3.34Å; G64-D66 PolarHBondContact O-N 3.05Å; G64-D66 VanDerWaalsContact O-N 3.14Å; G64-F67 WeakPolarHBondContact O-CB 3.35Å; G64-F67 PolarHBondContact O-N 3Å | ||
| 65 | K | 96.4 | Very high | 97.1 | Very high | 181 Ų | 181 | 52.5 Ų | 52.5 | 79% | 0.787 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.5 | -176.3 | -66.3 | -173 | 178.7 | -178.9 | 0 | 113.7 | ||
| 66 | D | 95.6 | Very high | 97.1 | Very high | 56 Ų | 56 | 53.7 Ų | 53.7 | 30% | 0.299 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 13.8 | 178.1 | 64.6 | -40.8 | 0 | 0 | 0 | 113.2 | R35 G64 E68 Q69 | R35-D66 IonicContact NH2-OD2 2.78Å; R35-D66 PolarHBondContact NH2-OD2 3.23Å; G64-D66 PolarHBondContact O-N 3.05Å; G64-D66 VanDerWaalsContact O-N 3.14Å; D66-E68 PolarHBondContact O-N 2.97Å; D66-Q69 HydrophobicContact CB-CG 4.42Å; D66-Q69 VanDerWaalsContact O-CB 3.31Å; D66-Q69 WeakPolarHBondContact O-CB 3.19Å; D66-Q69 WeakPolarHBondContact O-CG 3.45Å; D66-Q69 PolarHBondContact O-N 2.99Å |
| 67 | F | 97.7 | Very high | 97 | Very high | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.022 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -53.6 | -30.2 | -175.7 | 81.8 | -83 | 0 | 0 | 0 | 113.9 | K56 C59 E60 L63 G64 Q69 L70 F71 I74 | K56-F67 HydrophobicContact CG-CE1 4.32Å; C59-F67 HydrophobicContact CB-CB 4.16Å; C59-F67 HydrophobicContact CB-CD1 3.78Å; C59-F67 HydrophobicContact CB-CD2 3.31Å; C59-F67 HydrophobicContact CB-CE1 3.97Å; C59-F67 HydrophobicContact CB-CE2 3.49Å; C59-F67 VanDerWaalsContact CB-CE2 3.49Å; C59-F67 HydrophobicContact CB-CG 3.45Å; C59-F67 VanDerWaalsContact CB-CG 3.45Å; C59-F67 HydrophobicContact CB-CZ 3.83Å; E60-F67 HydrophobicContact CG-CD1 4.01Å; E60-F67 HydrophobicContact CG-CE1 3.96Å; L63-F67 HydrophobicContact CB-CB 3.79Å; L63-F67 HydrophobicContact CD1-CB 4.41Å; G64-F67 WeakPolarHBondContact O-CB 3.35Å; G64-F67 PolarHBondContact O-N 3Å; F67-Q69 PolarHBondContact O-N 2.93Å; F67-Q69 VanDerWaalsContact O-N 3.17Å; F67-L70 HydrophobicContact CB-CD1 4.45Å; F67-L70 VanDerWaalsContact O-CB 3.26Å; F67-L70 WeakPolarHBondContact O-CB 3.49Å; F67-L70 PolarHBondContact O-N 3.5Å; F67-F71 HydrophobicContact CD2-CE2 4.49Å; F67-F71 WeakPolarHBondContact O-CD2 3.37Å; F67-I74 HydrophobicContact CD2-CD1 4.31Å; F67-I74 HydrophobicContact CE2-CD1 3.77Å |
| 68 | E | 96.9 | Very high | 96.8 | Very high | 86 Ų | 86 | 51.7 Ų | 51.7 | 40% | 0.402 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -57.4 | -29.8 | 177.8 | -65.6 | -176.2 | 160.6 | 0 | 0 | 111.4 | D66 L70 F71 I74 K98 | D66-E68 PolarHBondContact O-N 2.97Å; E68-L70 VanDerWaalsContact C-N 3.26Å; E68-L70 PolarHBondContact O-N 3.08Å; E68-F71 PolarHBondContact O-N 2.79Å; E68-F71 VanDerWaalsContact O-O 3.1Å; E68-I74 HydrophobicContact CB-CD1 4.24Å; E68-I74 HydrophobicContact CG-CD1 4.06Å; E68-K98 VanDerWaalsContact CD-NZ 3.25Å; E68-K98 IonicContact OE1-NZ 3Å; E68-K98 PolarHBondContact OE1-NZ 3.23Å; E68-K98 IonicContact OE2-NZ 3.1Å; E68-K98 PolarHBondContact OE2-NZ 3.33Å |
| 69 | Q | 97.1 | Very high | 96.4 | Very high | 135 Ų | 135 | 55 Ų | 55 | 63% | 0.631 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -70.7 | -21.2 | 177.5 | -56.8 | -178.3 | 14.5 | 0 | 0 | 112.9 | K38 D66 F67 F71 | K38-Q69 WeakPolarHBondContact CD-O 3.23Å; K38-Q69 PolarHBondContact NZ-O 2.94Å; D66-Q69 HydrophobicContact CB-CG 4.42Å; D66-Q69 VanDerWaalsContact O-CB 3.31Å; D66-Q69 WeakPolarHBondContact O-CB 3.19Å; D66-Q69 WeakPolarHBondContact O-CG 3.45Å; D66-Q69 PolarHBondContact O-N 2.99Å; F67-Q69 PolarHBondContact O-N 2.93Å; F67-Q69 VanDerWaalsContact O-N 3.17Å; Q69-F71 VanDerWaalsContact C-N 3.27Å; Q69-F71 PolarHBondContact O-N 2.64Å |
| 70 | L | 97.9 | Very high | 96.1 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -77 | -12.4 | -179.3 | -56.7 | 175.5 | 0 | 0 | 0 | 113.2 | L34 R35 K38 L44 L63 F67 E68 | L34-L70 HydrophobicContact CB-CD2 4.48Å; L34-L70 HydrophobicContact CD1-CD1 4.12Å; R35-L70 HydrophobicContact CG-CD2 3.62Å; K38-L70 WeakPolarHBondContact CD-O 3.01Å; L44-L70 WeakPolarHBondContact CD2-O 2.94Å; L63-L70 HydrophobicContact CB-CD1 4.04Å; L63-L70 HydrophobicContact CD1-CD1 4.4Å; L63-L70 HydrophobicContact CD2-CD1 4.24Å; L63-L70 HydrophobicContact CG-CD1 4.46Å; F67-L70 HydrophobicContact CB-CD1 4.45Å; F67-L70 VanDerWaalsContact O-CB 3.26Å; F67-L70 WeakPolarHBondContact O-CB 3.49Å; F67-L70 PolarHBondContact O-N 3.5Å; E68-L70 VanDerWaalsContact C-N 3.26Å; E68-L70 PolarHBondContact O-N 3.08Å |
| 71 | F | 98.1 | Very high | 95.8 | Very high | 27 Ų | 27 | 61 Ų | 61 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | trans | -126.3 | 154.6 | -178.6 | -56.4 | -81.2 | 0 | 0 | 0 | 109.9 | L34 K38 L44 L46 L63 F67 E68 Q69 I74 | L34-F71 HydrophobicContact CD1-CZ 4.47Å; K38-F71 PolarHBondContact NZ-O 2.82Å; K38-F71 VanDerWaalsContact NZ-O 3.09Å; L44-F71 HydrophobicContact CB-CD1 4.12Å; L46-F71 HydrophobicContact CB-CD1 3.88Å; L46-F71 HydrophobicContact CB-CD2 4.36Å; L46-F71 HydrophobicContact CB-CE1 4.05Å; L46-F71 HydrophobicContact CB-CG 4.05Å; L46-F71 HydrophobicContact CB-CZ 4.36Å; L46-F71 HydrophobicContact CD2-CE2 4.28Å; L63-F71 HydrophobicContact CD1-CE2 4.05Å; L63-F71 HydrophobicContact CD1-CZ 4.22Å; F67-F71 HydrophobicContact CD2-CE2 4.49Å; F67-F71 WeakPolarHBondContact O-CD2 3.37Å; E68-F71 PolarHBondContact O-N 2.79Å; E68-F71 VanDerWaalsContact O-O 3.1Å; Q69-F71 VanDerWaalsContact C-N 3.27Å; Q69-F71 PolarHBondContact O-N 2.64Å; F71-I74 HydrophobicContact CB-CD1 4.36Å; F71-I74 HydrophobicContact CB-CG1 3.88Å; F71-I74 HydrophobicContact CD2-CD1 4.37Å; F71-I74 HydrophobicContact CD2-CG1 4.38Å; F71-I74 HydrophobicContact CG-CG1 4.35Å | ||
| 72 | D | 98 | Very high | 95.2 | Very high | 74 Ų | 74 | 58.4 Ų | 58.4 | 40% | 0.396 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -92.6 | -31.3 | 173.3 | -57 | -62.6 | 0 | 0 | 0 | 110.7 | K38 I43 L44 | K38-D72 WeakPolarHBondContact CE-OD1 3.29Å; K38-D72 IonicContact NZ-OD1 2.67Å; K38-D72 PolarHBondContact NZ-OD1 2.87Å; I43-D72 WeakPolarHBondContact CA-OD2 3.14Å; I43-D72 HydrophobicContact CG2-CB 4.09Å; L44-D72 PolarHBondContact N-OD2 3.37Å; L44-D72 PolarHBondContact O-N 3.18Å |
| 73 | V | 97.1 | Very high | 94.8 | Very high | 66 Ų | 66 | 59 Ų | 59 | 40% | 0.4 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 132.7 | 176.3 | -174.8 | 0 | 0 | 0 | 0 | 109.9 | L44 I45 L46 I75 | L44-V73 PolarHBondContact O-N 3.28Å; I45-V73 WeakPolarHBondContact CA-O 3.13Å; I45-V73 HydrophobicContact CG1-CB 4.25Å; I45-V73 HydrophobicContact CG2-CB 4.09Å; I45-V73 HydrophobicContact CG2-CG1 4.4Å; L46-V73 PolarHBondContact N-O 2.98Å; V73-I75 HydrophobicContact CG1-CD1 4.17Å; V73-I75 HydrophobicContact CG1-CG1 3.78Å |
| 74 | I | 97.6 | Very high | 94.4 | Very high | 60 Ų | 60 | 64.8 Ų | 64.8 | 31% | 0.308 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 119.5 | 172.9 | -61.5 | 166.3 | 0 | 0 | 0 | 108.1 | L46 F67 E68 F71 T76 | L46-I74 HydrophobicContact CB-CG1 4.22Å; L46-I74 HydrophobicContact CB-CG2 4.45Å; L46-I74 HydrophobicContact CD2-CG2 4.12Å; L46-I74 HydrophobicContact CG-CG2 4.42Å; F67-I74 HydrophobicContact CD2-CD1 4.31Å; F67-I74 HydrophobicContact CE2-CD1 3.77Å; E68-I74 HydrophobicContact CB-CD1 4.24Å; E68-I74 HydrophobicContact CG-CD1 4.06Å; F71-I74 HydrophobicContact CB-CD1 4.36Å; F71-I74 HydrophobicContact CB-CG1 3.88Å; F71-I74 HydrophobicContact CD2-CD1 4.37Å; F71-I74 HydrophobicContact CD2-CG1 4.38Å; F71-I74 HydrophobicContact CG-CG1 4.35Å; I74-T76 HydrophobicContact CG2-CG2 4.25Å |
| 75 | I | 95.9 | Very high | 93.9 | Very high | 32 Ų | 32 | 67.8 Ų | 67.8 | 16% | 0.164 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 111.9 | -179.8 | -53 | -178.3 | 0 | 0 | 0 | 108.3 | I45 L46 I47 T48 V73 A78 F83 F93 | I45-I75 HydrophobicContact CG2-CD1 4.47Å; L46-I75 PolarHBondContact O-N 3.09Å; I47-I75 WeakPolarHBondContact CA-O 3.5Å; I47-I75 HydrophobicContact CD1-CD1 4.45Å; I47-I75 HydrophobicContact CG1-CB 4.37Å; I47-I75 HydrophobicContact CG1-CD1 4.31Å; I47-I75 HydrophobicContact CG2-CB 4.39Å; T48-I75 PolarHBondContact N-O 3.4Å; V73-I75 HydrophobicContact CG1-CD1 4.17Å; V73-I75 HydrophobicContact CG1-CG1 3.78Å; I75-A78 HydrophobicContact CG2-CB 4.48Å; I75-F83 HydrophobicContact CD1-CE2 4.35Å; I75-F83 HydrophobicContact CD1-CZ 3.71Å; I75-F83 HydrophobicContact CG2-CE2 3.79Å; I75-F83 HydrophobicContact CG2-CZ 4.14Å; I75-F93 HydrophobicContact CD1-CE1 4.22Å |
| 76 | T | 95.5 | Very high | 93.2 | Very high | 35 Ų | 35 | 62.5 Ų | 62.5 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | trans | -100.5 | 168.3 | 174.1 | 61 | 0 | 0 | 0 | 0 | 109.9 | T48 C55 I74 A78 | T48-T76 HydrophobicContact CG2-CG2 3.93Å; T48-T76 CarbonylContact O-C 3.37Å; T48-T76 WeakPolarHBondContact O-CA 3.46Å; C55-T76 HydrophobicContact CB-CG2 3.85Å; I74-T76 HydrophobicContact CG2-CG2 4.25Å; T76-A78 PolarHBondContact O-N 3.08Å; T76-A78 VanDerWaalsContact O-N 3.08Å | ||
| 77 | N | 92.6 | Very high | 92.1 | Very high | 73 Ų | 73 | 64.7 Ų | 64.7 | 39% | 0.39 | 34% | 0.339 | S | S | . | . | trans | 51.8 | 33.8 | -178.6 | -58.6 | 55.7 | 0 | 0 | 0 | 112.9 | T48 S50 H51 L79 | T48-N77 PolarHBondContact O-N 3.05Å; T48-N77 VanDerWaalsContact O-N 3.15Å; S50-N77 PolarHBondContact O-N 3.46Å; S50-N77 PolarHBondContact O-OD1 2.98Å; H51-N77 WeakPolarHBondContact CA-OD1 3.23Å; H51-N77 PolarHBondContact CD2-ND2 2.83Å; N77-L79 WeakPolarHBondContact O-CG 3.48Å; N77-L79 PolarHBondContact O-N 3.03Å; N77-L79 VanDerWaalsContact O-N 3.16Å | ||
| 78 | A | 92.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 68.9 Ų | 68.9 | 4% | 0.041 | 37% | 0.368 | C | S | . | . | trans | -61.4 | -27.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I47 T48 I75 T76 K80 F83 | I47-A78 HydrophobicContact CG2-CB 3.57Å; T48-A78 VanDerWaalsContact O-CB 3.32Å; T48-A78 WeakPolarHBondContact O-CB 3.32Å; T48-A78 PolarHBondContact O-N 3.04Å; I75-A78 HydrophobicContact CG2-CB 4.48Å; T76-A78 PolarHBondContact O-N 3.08Å; T76-A78 VanDerWaalsContact O-N 3.08Å; A78-K80 VanDerWaalsContact C-N 3.34Å; A78-K80 HydrophobicContact CB-CG 4.15Å; A78-K80 PolarHBondContact O-N 3.33Å; A78-F83 HydrophobicContact CB-CB 4.2Å; A78-F83 HydrophobicContact CB-CD2 3.85Å; A78-F83 HydrophobicContact CB-CE2 4.5Å; A78-F83 HydrophobicContact CB-CG 4.02Å; A78-F83 VanDerWaalsContact O-CB 3.3Å; A78-F83 WeakPolarHBondContact O-CB 3.3Å | ||
| 79 | L | 89.2 | Confident | 89.5 | Confident | 100 Ų | 100 | 72.8 Ų | 72.8 | 52% | 0.524 | 39% | 0.385 | S | S | . | . | trans | 52.8 | 51.7 | 179.6 | -62.5 | 174.2 | 0 | 0 | 0 | 111.7 | N77 G82 R91 | N77-L79 WeakPolarHBondContact O-CG 3.48Å; N77-L79 PolarHBondContact O-N 3.03Å; N77-L79 VanDerWaalsContact O-N 3.16Å; L79-G82 PolarHBondContact O-N 3.41Å; L79-R91 VanDerWaalsContact CB-NH1 3.26Å; L79-R91 PolarHBondContact O-NH1 2.87Å | ||
| 80 | K | 91.2 | Very high | 88.4 | Confident | 101 Ų | 101 | 72.1 Ų | 72.1 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 148.9 | 175.6 | -64.5 | 178.4 | -68.4 | -167.5 | 0 | 111.2 | I47 S49 A78 G82 F83 F84 | I47-K80 PolarHBondContact O-NZ 3.25Å; S49-K80 PolarHBondContact OG-N 3.04Å; S49-K80 VanDerWaalsContact OG-N 3.13Å; A78-K80 VanDerWaalsContact C-N 3.34Å; A78-K80 HydrophobicContact CB-CG 4.15Å; A78-K80 PolarHBondContact O-N 3.33Å; K80-G82 VanDerWaalsContact C-N 3.33Å; K80-F83 HydrophobicContact CG-CB 4.19Å; K80-F84 HydrophobicContact CD-CE2 3.71Å; K80-F84 HydrophobicContact CG-CD2 4.34Å; K80-F84 HydrophobicContact CG-CE2 3.87Å |
| 81 | P | 91 | Very high | 87.2 | Confident | 104 Ų | 104 | 76.6 Ų | 76.6 | 68% | 0.675 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -78.5 | -12.3 | 3.3 | 32.7 | -36 | 0 | 0 | 0 | 113.9 | F83 F84 | P81-F83 PolarHBondContact O-N 2.88Å; P81-F84 PolarHBondContact O-N 2.97Å |
| 82 | G | 86.4 | Confident | 86.5 | Confident | 8 Ų | 8 | 79.6 Ų | 79.6 | 8% | 0.082 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -55.1 | -25.2 | -173 | 0 | 0 | 0 | 0 | 0 | 115.5 | L79 K80 F84 S85 L86 | L79-G82 PolarHBondContact O-N 3.41Å; K80-G82 VanDerWaalsContact C-N 3.33Å; G82-F84 PolarHBondContact O-N 3.16Å; G82-S85 WeakPolarHBondContact CA-OG 3.38Å; G82-S85 PolarHBondContact O-N 3.15Å; G82-L86 VanDerWaalsContact O-CB 3.28Å; G82-L86 WeakPolarHBondContact O-CB 3.28Å; G82-L86 WeakPolarHBondContact O-CG 3.4Å; G82-L86 PolarHBondContact O-N 2.94Å |
| 83 | F | 88.7 | Confident | 85.9 | Confident | 49 Ų | 49 | 83.6 Ų | 83.6 | 22% | 0.215 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -51.3 | -40.8 | 170.4 | -171.3 | -100.9 | 0 | 0 | 0 | 113.8 | I47 I75 A78 K80 P81 F93 | I47-F83 HydrophobicContact CD1-CE1 3.9Å; I47-F83 HydrophobicContact CD1-CZ 4.49Å; I47-F83 HydrophobicContact CG2-CD1 4.18Å; I47-F83 HydrophobicContact CG2-CE1 4.16Å; I47-F83 HydrophobicContact CG2-CZ 4.48Å; I75-F83 HydrophobicContact CD1-CE2 4.35Å; I75-F83 HydrophobicContact CD1-CZ 3.71Å; I75-F83 HydrophobicContact CG2-CE2 3.79Å; I75-F83 HydrophobicContact CG2-CZ 4.14Å; A78-F83 HydrophobicContact CB-CB 4.2Å; A78-F83 HydrophobicContact CB-CD2 3.85Å; A78-F83 HydrophobicContact CB-CE2 4.5Å; A78-F83 HydrophobicContact CB-CG 4.02Å; A78-F83 VanDerWaalsContact O-CB 3.3Å; A78-F83 WeakPolarHBondContact O-CB 3.3Å; K80-F83 HydrophobicContact CG-CB 4.19Å; P81-F83 PolarHBondContact O-N 2.88Å; F83-F93 AromaticContact CE2-CE1 3.56Å; F83-F93 HydrophobicContact CE2-CE1 3.56Å; F83-F93 AromaticContact CE2-CZ 3.92Å; F83-F93 HydrophobicContact CE2-CZ 3.92Å; F83-F93 AromaticContact CZ-CE1 3.79Å; F83-F93 HydrophobicContact CZ-CE1 3.79Å; F83-F93 AromaticContact CZ-CZ 3.91Å; F83-F93 HydrophobicContact CZ-CZ 3.91Å |
| 84 | F | 89.8 | Confident | 85.5 | Confident | 138 Ų | 138 | 91 Ų | 91 | 61% | 0.605 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -98.6 | -17.1 | -173.4 | -59.6 | -73.2 | 0 | 0 | 0 | 113.1 | I47 K80 P81 G82 | I47-F84 HydrophobicContact CD1-CE1 4.13Å; I47-F84 HydrophobicContact CD1-CZ 4.03Å; I47-F84 HydrophobicContact CG2-CZ 4.34Å; K80-F84 HydrophobicContact CD-CE2 3.71Å; K80-F84 HydrophobicContact CG-CD2 4.34Å; K80-F84 HydrophobicContact CG-CE2 3.87Å; P81-F84 PolarHBondContact O-N 2.97Å; G82-F84 PolarHBondContact O-N 3.16Å |
| 85 | S | 87.3 | Confident | 85.2 | Confident | 86 Ų | 86 | 94.6 Ų | 94.6 | 60% | 0.601 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -112.5 | -17.8 | -169.9 | 68.5 | 0 | 0 | 0 | 0 | 114.3 | G82 | G82-S85 WeakPolarHBondContact CA-OG 3.38Å; G82-S85 PolarHBondContact O-N 3.15Å |
| 86 | L | 80.8 | Confident | 84.7 | Confident | 70 Ų | 70 | 98.1 Ų | 98.1 | 37% | 0.366 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -94.4 | 150.5 | -178.9 | -61.5 | 173.8 | 0 | 0 | 0 | 111.2 | G82 | G82-L86 VanDerWaalsContact O-CB 3.28Å; G82-L86 WeakPolarHBondContact O-CB 3.28Å; G82-L86 WeakPolarHBondContact O-CG 3.4Å; G82-L86 PolarHBondContact O-N 2.94Å |
| 87 | I | 74.2 | Confident | 84.3 | Confident | 101 Ų | 101 | 103.6 Ų | 103.6 | 52% | 0.518 | 53% | 0.526 | S | S | . | . | trans | -70.4 | 137.3 | -177.6 | -42.4 | 170.4 | 0 | 0 | 0 | 108.5 | H89 Q90 | I87-H89 PolarHBondContact O-N 3.16Å; I87-Q90 WeakPolarHBondContact O-CB 3.49Å; I87-Q90 PolarHBondContact O-N 3.13Å | ||
| 88 | P | 69.5 | Low | 83.4 | Confident | 94 Ų | 94 | 105.9 Ų | 105.9 | 61% | 0.61 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -51.7 | -34 | -171.6 | -31.4 | 35.7 | 0 | 0 | 0 | 115.6 | Q90 R91 | P88-Q90 PolarHBondContact O-N 3.4Å; P88-Q90 VanDerWaalsContact O-N 3.16Å; P88-R91 CarbonylContact O-C 3.27Å; P88-R91 VanDerWaalsContact O-C 3.27Å; P88-R91 PolarHBondContact O-N 3.25Å |
| 89 | H | 70.4 | Confident | 82.1 | Confident | 168 Ų | 168 | 110 Ų | 110 | 78% | 0.778 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -62.5 | -23.1 | 179.9 | -36.8 | -58.9 | 0 | 0 | 0 | 113.1 | I87 | I87-H89 PolarHBondContact O-N 3.16Š|
| 90 | Q | 72.4 | Confident | 80.1 | Confident | 120 Ų | 120 | 112.4 Ų | 112.4 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | G | 310 helix | trans | -83.5 | -14.8 | 179.3 | -60.1 | 179.5 | -48.5 | 0 | 0 | 112.3 | I87 P88 | I87-Q90 WeakPolarHBondContact O-CB 3.49Å; I87-Q90 PolarHBondContact O-N 3.13Å; P88-Q90 PolarHBondContact O-N 3.4Å; P88-Q90 VanDerWaalsContact O-N 3.16Å |
| 91 | R | 73.1 | Confident | 77.9 | Confident | 98 Ų | 98 | 112.8 Ų | 112.8 | 37% | 0.37 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -148.7 | 82.4 | -177.2 | -70.1 | -165.5 | 175.1 | -177.8 | 2 | 111.5 | L79 P88 | L79-R91 VanDerWaalsContact CB-NH1 3.26Å; L79-R91 PolarHBondContact O-NH1 2.87Å; P88-R91 CarbonylContact O-C 3.27Å; P88-R91 VanDerWaalsContact O-C 3.27Å; P88-R91 PolarHBondContact O-N 3.25Å |
| 92 | P | 83.1 | Confident | 75.4 | Confident | 90 Ų | 90 | 117 Ų | 117 | 58% | 0.584 | 61% | 0.609 | S | S | * | * | trans | -66.6 | 141.4 | 178.3 | 27.7 | -34.4 | 0 | 0 | 0 | 111.4 | ||||
| 93 | F | 87.1 | Confident | 73.3 | Confident | 158 Ų | 158 | 126 Ų | 126 | 69% | 0.693 | 65% | 0.649 | S | S | * | * | trans | -65.6 | 138.9 | 168.4 | -71.1 | -76.1 | 0 | 0 | 0 | 110.3 | I75 F83 | I75-F93 HydrophobicContact CD1-CE1 4.22Å; F83-F93 AromaticContact CE2-CE1 3.56Å; F83-F93 HydrophobicContact CE2-CE1 3.56Å; F83-F93 AromaticContact CE2-CZ 3.92Å; F83-F93 HydrophobicContact CE2-CZ 3.92Å; F83-F93 AromaticContact CZ-CE1 3.79Å; F83-F93 HydrophobicContact CZ-CE1 3.79Å; F83-F93 AromaticContact CZ-CZ 3.91Å; F83-F93 HydrophobicContact CZ-CZ 3.91Å | ||
| 94 | R | 88.5 | Confident | 70.8 | Confident | 222 Ų | 222 | 132 Ų | 132 | 84% | 0.838 | 68% | 0.678 | S | S | * | * | trans | -122.2 | 133.9 | 174.6 | -64.4 | -179.4 | -178.9 | -102.7 | 0.6 | 108.9 | ||||
| 95 | T | 90.1 | Very high | 68.2 | Low | 135 Ų | 135 | 130 Ų | 130 | 83% | 0.828 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 128.2 | 173.1 | -55 | 0 | 0 | 0 | 0 | 109.3 | I97 | T95-I97 PolarHBondContact O-N 2.85Š|
| 96 | L | 86.7 | Confident | 65.8 | Low | 105 Ų | 105 | 134.1 Ų | 134.1 | 55% | 0.55 | 70% | 0.695 | S | S | . | * | P | Polyproline II helix | trans | -72.6 | 119 | 173.3 | -176.2 | 71.3 | 0 | 0 | 0 | 109.5 | ||
| 97 | I | 87 | Confident | 63.8 | Low | 150 Ų | 150 | 138.8 Ų | 138.8 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 116.8 | 173 | -56 | -178.3 | 0 | 0 | 0 | 108 | T95 A99 | T95-I97 PolarHBondContact O-N 2.85Å; I97-A99 PolarHBondContact O-N 2.92Å |
| 98 | K | 73.8 | Confident | 62.1 | Low | 122 Ų | 122 | 139.9 Ų | 139.9 | 53% | 0.53 | 73% | 0.729 | S | S | . | * | trans | -71.6 | 110.9 | 170.4 | -66.7 | -178.5 | 179.7 | 176.7 | 0 | 107.3 | E68 N100 | E68-K98 VanDerWaalsContact CD-NZ 3.25Å; E68-K98 IonicContact OE1-NZ 3Å; E68-K98 PolarHBondContact OE1-NZ 3.23Å; E68-K98 IonicContact OE2-NZ 3.1Å; E68-K98 PolarHBondContact OE2-NZ 3.33Å; K98-N100 PolarHBondContact O-N 2.97Å; K98-N100 VanDerWaalsContact O-N 3.14Å | ||
| 99 | A | 63.3 | Low | 60.8 | Low | 91 Ų | 91 | 140.5 Ų | 140.5 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | trans | -63.1 | 116.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | I97 A101 | I97-A99 PolarHBondContact O-N 2.92Å; A99-A101 PolarHBondContact O-N 3.07Å | ||
| 100 | N | 48.1 | Very low | 59.4 | Low | 151 Ų | 151 | 144.2 Ų | 144.2 | 81% | 0.807 | 76% | 0.76 | S | S | * | * | trans | -60.5 | 130 | 168.8 | -73.6 | -36.4 | 0 | 0 | 0 | 107.5 | K98 K102 | K98-N100 PolarHBondContact O-N 2.97Å; K98-N100 VanDerWaalsContact O-N 3.14Å; N100-K102 PolarHBondContact O-N 3.46Å | ||
| 101 | A | 45 | Very low | 58.7 | Low | 109 Ų | 109 | 145.4 Ų | 145.4 | 90% | 0.901 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -67 | 70.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A99 | A99-A101 PolarHBondContact O-N 3.07Š|
| 102 | K | 38.7 | Very low | 57.9 | Low | 193 Ų | 193 | 147.9 Ų | 147.9 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | trans | -154.3 | 73.1 | 163 | -73.9 | -159.4 | -178.9 | -174.6 | 0 | 109 | N100 | N100-K102 PolarHBondContact O-N 3.46Š| ||
| 103 | Q | 41.2 | Very low | 56.5 | Low | 196 Ų | 196 | 151.1 Ų | 151.1 | 92% | 0.916 | 80% | 0.802 | S | S | * | * | trans | -112 | 85.7 | 143.9 | -89 | 179.3 | -78.8 | 0 | 0 | 106.4 | S105 | Q103-S105 PolarHBondContact O-N 3.29Š| ||
| 104 | Q | 37 | Very low | 54.7 | Low | 175 Ų | 175 | 150.7 Ų | 150.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -59.6 | 128.1 | 162.3 | -170.7 | 160.6 | 1.1 | 0 | 0 | 106.7 | L106 | Q104-L106 PolarHBondContact O-N 3.04Š| ||
| 105 | S | 35.3 | Very low | 52.6 | Low | 95 Ų | 95 | 146.3 Ų | 146.3 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | trans | -40.5 | 109.2 | 174.6 | 48.8 | 0 | 0 | 0 | 0 | 111.8 | Q103 Q107 | Q103-S105 PolarHBondContact O-N 3.29Å; S105-Q107 VanDerWaalsContact C-N 3.25Å; S105-Q107 PolarHBondContact O-N 2.92Å; S105-Q107 VanDerWaalsContact O-N 3.11Å | ||
| 106 | L | 36.8 | Very low | 50.1 | Low | 173 Ų | 173 | 147 Ų | 147 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | -73.1 | 93.3 | 151 | -88.7 | 89.3 | 0 | 0 | 0 | 106.1 | Q104 | Q104-L106 PolarHBondContact O-N 3.04Š| ||
| 107 | Q | 37.8 | Very low | 47.5 | Very low | 168 Ų | 168 | 150 Ų | 150 | 79% | 0.785 | 82% | 0.824 | S | S | * | * | trans | -71.6 | 127.5 | 150.7 | -71.6 | -168.5 | -11.1 | 0 | 0 | 106.6 | S105 S109 | S105-Q107 VanDerWaalsContact C-N 3.25Å; S105-Q107 PolarHBondContact O-N 2.92Å; S105-Q107 VanDerWaalsContact O-N 3.11Å; Q107-S109 PolarHBondContact O-N 3Å | ||
| 108 | P | 39.7 | Very low | 44.5 | Very low | 125 Ų | 125 | 150 Ų | 150 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | trans | -67.4 | 115.5 | 167.3 | 20.9 | -19.3 | 0 | 0 | 0 | 108 | ||||
| 109 | S | 41.8 | Very low | 42.1 | Very low | 107 Ų | 107 | 152.3 Ų | 152.3 | 75% | 0.748 | 85% | 0.853 | S | S | * | * | trans | -76.9 | 126.6 | 162.7 | 50 | 0 | 0 | 0 | 0 | 109 | Q107 | Q107-S109 PolarHBondContact O-N 3Š| ||
| 110 | L | 40 | Very low | 40.1 | Very low | 245 Ų | 245 | 157.9 Ų | 157.9 | 100% | 1.283 | 86% | 0.862 | S | S | * | * | trans | 80.9 | 0 | 179.6 | -68.7 | 134.3 | 0 | 0 | 0 | 116.2 |
Retrieved 110 of 110 residues in 133.8 ms
(Link to these results)