| 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 | 46.9 | Very low | 73.6 | Confident | 118 Ų | 118 | 88.5 Ų | 88.5 | 58% | 0.581 | 48% | 0.483 | S | S | * | . | 0 | 135.4 | 0 | -75.9 | -167.4 | 177.6 | 0 | 0 | 106.7 | T3 L101 | M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 2.75Å; M1-L101 HydrophobicContact CE-CD2 3.91Å; M1-L101 HydrophobicContact CG-CD1 4.43Å; M1-L101 HydrophobicContact CG-CD2 4.22Å | |||
| 2 | A | 40.9 | Very low | 75.1 | Confident | 32 Ų | 32 | 87.8 Ų | 87.8 | 26% | 0.264 | 48% | 0.483 | S | S | . | . | trans | -52.5 | 102.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | V4 T90 E92 | A2-V4 VanDerWaalsContact C-N 3.25Å; A2-V4 PolarHBondContact O-N 2.79Å; A2-T90 HydrophobicContact CB-CG2 3.69Å; A2-E92 WeakPolarHBondContact CA-OE2 3.46Å; A2-E92 WeakPolarHBondContact CB-OE2 3.27Å | ||
| 3 | T | 53.2 | Low | 76.4 | Confident | 101 Ų | 101 | 93.3 Ų | 93.3 | 62% | 0.62 | 49% | 0.494 | S | S | * | . | trans | -80 | 90.5 | 178.6 | 40.5 | 0 | 0 | 0 | 0 | 104.5 | M1 Q5 | M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 2.75Å; T3-Q5 VanDerWaalsContact C-N 3.34Å; T3-Q5 PolarHBondContact O-N 2.65Å | ||
| 4 | V | 65.9 | Low | 77.4 | Confident | 55 Ų | 55 | 87.7 Ų | 87.7 | 33% | 0.333 | 46% | 0.464 | S | S | . | . | trans | -57 | 108.8 | 165 | -179.2 | 0 | 0 | 0 | 0 | 105.6 | A2 V6 L216 Q217 | A2-V4 VanDerWaalsContact C-N 3.25Å; A2-V4 PolarHBondContact O-N 2.79Å; V4-V6 VanDerWaalsContact C-N 3.33Å; V4-V6 HydrophobicContact CB-CG2 4.47Å; V4-V6 HydrophobicContact CG1-CG2 3.87Å; V4-V6 PolarHBondContact O-N 3.24Å; V4-L216 HydrophobicContact CG2-CB 3.89Å; V4-L216 HydrophobicContact CG2-CD1 4.2Å; V4-Q217 HydrophobicContact CG1-CG 4.18Å | ||
| 5 | Q | 71.2 | Confident | 78.2 | Confident | 180 Ų | 180 | 86.7 Ų | 86.7 | 84% | 0.841 | 46% | 0.459 | S | S | * | . | trans | -76.7 | 92.1 | 178.1 | -68.8 | -166.3 | -4.3 | 0 | 0 | 107.5 | T3 | T3-Q5 VanDerWaalsContact C-N 3.34Å; T3-Q5 PolarHBondContact O-N 2.65Å | ||
| 6 | V | 82.4 | Confident | 79 | Confident | 17 Ų | 17 | 88.4 Ų | 88.4 | 10% | 0.103 | 46% | 0.463 | C | S | . | . | trans | -85 | 128.8 | 174.8 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | V4 E10 K11 Q217 A220 | V4-V6 VanDerWaalsContact C-N 3.33Å; V4-V6 HydrophobicContact CB-CG2 4.47Å; V4-V6 HydrophobicContact CG1-CG2 3.87Å; V4-V6 PolarHBondContact O-N 3.24Å; V6-E10 HydrophobicContact CG1-CB 3.41Å; V6-E10 VanDerWaalsContact CG1-CB 3.41Å; V6-E10 HydrophobicContact CG1-CG 4.48Å; V6-K11 HydrophobicContact CB-CG 4.18Å; V6-K11 HydrophobicContact CG1-CG 3.79Å; V6-K11 WeakPolarHBondContact O-CE 3.49Å; V6-Q217 HydrophobicContact CG2-CB 4.35Å; V6-Q217 HydrophobicContact CG2-CG 4.41Å; V6-A220 HydrophobicContact CG2-CB 4.07Å | ||
| 7 | S | 90.4 | Very high | 79.7 | Confident | 57 Ų | 57 | 84.2 Ų | 84.2 | 40% | 0.399 | 45% | 0.446 | S | S | . | . | trans | -65.3 | 155.1 | 175.5 | 68.9 | 0 | 0 | 0 | 0 | 111.3 | A9 E10 K11 | S7-A9 PolarHBondContact O-N 3.04Å; S7-E10 VanDerWaalsContact CB-OE2 3.28Å; S7-E10 WeakPolarHBondContact CB-OE2 3.16Å; S7-E10 PolarHBondContact N-OE2 2.73Å; S7-E10 PolarHBondContact O-N 3.41Å; S7-E10 VanDerWaalsContact O-N 3.14Å; S7-E10 WeakPolarHBondContact OG-CB 3.23Å; S7-E10 VanDerWaalsContact OG-CD 3.26Å; S7-E10 WeakPolarHBondContact OG-CG 3.38Å; S7-E10 PolarHBondContact OG-N 2.83Å; S7-E10 PolarHBondContact OG-OE2 3.04Å; S7-K11 WeakPolarHBondContact O-CG 3.44Å; S7-K11 PolarHBondContact O-N 3.08Å | ||
| 8 | E | 87.6 | Confident | 80.3 | Confident | 168 Ų | 168 | 79.7 Ų | 79.7 | 79% | 0.785 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.4 | -34.6 | -179.8 | -64.1 | -171.1 | 101.1 | 0 | 0 | 112.5 | K11 V12 | E8-K11 PolarHBondContact O-N 2.99Å; E8-V12 WeakPolarHBondContact O-CG2 3.4Å; E8-V12 PolarHBondContact O-N 3.26Å |
| 9 | A | 91.4 | Very high | 80.7 | Confident | 73 Ų | 73 | 85.6 Ų | 85.6 | 60% | 0.603 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64.5 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S7 V12 Y13 | S7-A9 PolarHBondContact O-N 3.04Å; A9-V12 PolarHBondContact O-N 2.73Å; A9-Y13 PolarHBondContact O-N 3.17Å |
| 10 | E | 89.4 | Confident | 81.1 | Confident | 88 Ų | 88 | 87.4 Ų | 87.4 | 41% | 0.411 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 175.3 | -72.6 | 166.6 | 129.6 | 0 | 0 | 111.6 | V6 S7 V12 Y13 I14 | V6-E10 HydrophobicContact CG1-CB 3.41Å; V6-E10 VanDerWaalsContact CG1-CB 3.41Å; V6-E10 HydrophobicContact CG1-CG 4.48Å; S7-E10 VanDerWaalsContact CB-OE2 3.28Å; S7-E10 WeakPolarHBondContact CB-OE2 3.16Å; S7-E10 PolarHBondContact N-OE2 2.73Å; S7-E10 PolarHBondContact O-N 3.41Å; S7-E10 VanDerWaalsContact O-N 3.14Å; S7-E10 WeakPolarHBondContact OG-CB 3.23Å; S7-E10 VanDerWaalsContact OG-CD 3.26Å; S7-E10 WeakPolarHBondContact OG-CG 3.38Å; S7-E10 PolarHBondContact OG-N 2.83Å; S7-E10 PolarHBondContact OG-OE2 3.04Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 3.27Å; E10-Y13 WeakPolarHBondContact O-CB 3.38Å; E10-Y13 PolarHBondContact O-N 3.29Å; E10-I14 WeakPolarHBondContact O-CG1 3.02Å; E10-I14 PolarHBondContact O-N 3Å |
| 11 | K | 89.8 | Confident | 81.4 | Confident | 85 Ų | 85 | 86.3 Ų | 86.3 | 37% | 0.37 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 174.5 | -64.3 | -174.8 | -178.2 | 178.8 | 0 | 111.3 | V6 S7 E8 Y13 I14 L15 | V6-K11 HydrophobicContact CB-CG 4.18Å; V6-K11 HydrophobicContact CG1-CG 3.79Å; V6-K11 WeakPolarHBondContact O-CE 3.49Å; S7-K11 WeakPolarHBondContact O-CG 3.44Å; S7-K11 PolarHBondContact O-N 3.08Å; E8-K11 PolarHBondContact O-N 2.99Å; K11-Y13 VanDerWaalsContact C-N 3.34Å; K11-I14 PolarHBondContact O-N 2.72Å; K11-L15 VanDerWaalsContact O-CB 3.3Å; K11-L15 WeakPolarHBondContact O-CB 3.37Å; K11-L15 PolarHBondContact O-N 3.4Å |
| 12 | V | 91.8 | Very high | 83.3 | Confident | 80 Ų | 80 | 85.6 Ų | 85.6 | 49% | 0.485 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 177.4 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | E8 A9 E10 L15 H16 | E8-V12 WeakPolarHBondContact O-CG2 3.4Å; E8-V12 PolarHBondContact O-N 3.26Å; A9-V12 PolarHBondContact O-N 2.73Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 3.27Å; V12-L15 PolarHBondContact O-N 3.37Å; V12-H16 VanDerWaalsContact CG1-CD2 3.47Å; V12-H16 WeakPolarHBondContact CG1-CD2 3.29Å; V12-H16 PolarHBondContact O-CD2 2.69Å; V12-H16 PolarHBondContact O-N 3.33Å |
| 13 | Y | 91.6 | Very high | 85.6 | Confident | 159 Ų | 159 | 84.8 Ų | 84.8 | 62% | 0.624 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -58.4 | -49.4 | 176.1 | 179.7 | -98.2 | 0 | 0 | 0 | 112.2 | A9 E10 K11 L15 H16 G17 V24 | A9-Y13 PolarHBondContact O-N 3.17Å; E10-Y13 WeakPolarHBondContact O-CB 3.38Å; E10-Y13 PolarHBondContact O-N 3.29Å; K11-Y13 VanDerWaalsContact C-N 3.34Å; Y13-L15 VanDerWaalsContact C-N 3.33Å; Y13-L15 PolarHBondContact O-N 2.74Å; Y13-H16 PolarHBondContact O-N 2.81Å; Y13-G17 PolarHBondContact O-N 3.39Å; Y13-V24 HydrophobicContact CE1-CG1 4.33Å |
| 14 | I | 90.3 | Very high | 87.2 | Confident | 15 Ų | 15 | 83.6 Ų | 83.6 | 8% | 0.077 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 178.4 | -67.7 | 166.1 | 0 | 0 | 0 | 110.8 | E10 K11 H16 G17 V18 Q217 E218 | E10-I14 WeakPolarHBondContact O-CG1 3.02Å; E10-I14 PolarHBondContact O-N 3Å; K11-I14 PolarHBondContact O-N 2.72Å; I14-H16 PolarHBondContact O-N 2.84Å; I14-G17 PolarHBondContact O-N 3.1Å; I14-V18 HydrophobicContact CG2-CG2 4.31Å; I14-V18 WeakPolarHBondContact O-CB 3.44Å; I14-V18 VanDerWaalsContact O-CG2 3.3Å; I14-V18 WeakPolarHBondContact O-CG2 3.42Å; I14-V18 PolarHBondContact O-N 3.32Å; I14-Q217 HydrophobicContact CD1-CB 4.1Å; I14-E218 HydrophobicContact CG2-CG 3.89Å |
| 15 | L | 90.2 | Very high | 88 | Confident | 73 Ų | 73 | 84.9 Ų | 84.9 | 38% | 0.382 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | -178.6 | -150.8 | 160 | 0 | 0 | 0 | 111.6 | K11 V12 Y13 R19 V206 | K11-L15 VanDerWaalsContact O-CB 3.3Å; K11-L15 WeakPolarHBondContact O-CB 3.37Å; K11-L15 PolarHBondContact O-N 3.4Å; V12-L15 PolarHBondContact O-N 3.37Å; Y13-L15 VanDerWaalsContact C-N 3.33Å; Y13-L15 PolarHBondContact O-N 2.74Å; L15-R19 WeakPolarHBondContact O-CB 3.37Å; L15-R19 PolarHBondContact O-N 2.84Å; L15-V206 HydrophobicContact CG-CG1 4.34Å |
| 16 | H | 91.6 | Very high | 88.7 | Confident | 114 Ų | 114 | 79.5 Ų | 79.5 | 53% | 0.528 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -70.3 | -40.9 | 173 | -78.2 | -69.3 | 0 | 0 | 0 | 112.7 | V12 Y13 I14 R19 D20 | V12-H16 VanDerWaalsContact CG1-CD2 3.47Å; V12-H16 WeakPolarHBondContact CG1-CD2 3.29Å; V12-H16 PolarHBondContact O-CD2 2.69Å; V12-H16 PolarHBondContact O-N 3.33Å; Y13-H16 PolarHBondContact O-N 2.81Å; I14-H16 PolarHBondContact O-N 2.84Å; H16-R19 WeakPolarHBondContact O-CB 3.38Å; H16-R19 PolarHBondContact O-N 3.08Å; H16-D20 PolarHBondContact O-N 2.94Å; H16-D20 VanDerWaalsContact O-N 3.13Å |
| 17 | G | 90.4 | Very high | 88.9 | Confident | 17 Ų | 17 | 80.5 Ų | 80.5 | 18% | 0.175 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -59.6 | -51 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y13 I14 R19 D20 D21 L22 | Y13-G17 PolarHBondContact O-N 3.39Å; I14-G17 PolarHBondContact O-N 3.1Å; G17-R19 PolarHBondContact O-N 2.98Å; G17-D20 CarbonylContact O-C 3.56Å; G17-D20 WeakPolarHBondContact O-CA 3.31Å; G17-D20 PolarHBondContact O-N 3.47Å; G17-D21 PolarHBondContact O-N 3.04Å; G17-D21 VanDerWaalsContact O-N 3.11Å; G17-L22 CarbonylContact C-O 3.59Å; G17-L22 VanDerWaalsContact CA-O 3.25Å; G17-L22 WeakPolarHBondContact CA-O 3.49Å; G17-L22 PolarHBondContact O-N 3.08Å; G17-L22 VanDerWaalsContact O-O 3.05Å |
| 18 | V | 89.4 | Confident | 88.8 | Confident | 2 Ų | 2 | 78.3 Ų | 78.3 | 1% | 0.012 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -60.5 | -32.2 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 112 | I14 D20 D21 V206 R209 V211 | I14-V18 HydrophobicContact CG2-CG2 4.31Å; I14-V18 WeakPolarHBondContact O-CB 3.44Å; I14-V18 VanDerWaalsContact O-CG2 3.3Å; I14-V18 WeakPolarHBondContact O-CG2 3.42Å; I14-V18 PolarHBondContact O-N 3.32Å; V18-D20 VanDerWaalsContact C-N 3.31Å; V18-D20 PolarHBondContact O-N 3.42Å; V18-D21 PolarHBondContact O-N 2.93Å; V18-V206 HydrophobicContact CB-CG1 4.35Å; V18-V206 HydrophobicContact CG1-CB 4.21Å; V18-V206 HydrophobicContact CG1-CG1 4.41Å; V18-V206 HydrophobicContact CG2-CG1 4.26Å; V18-R209 HydrophobicContact CG1-CB 3.8Å; V18-R209 HydrophobicContact CG1-CG 4.36Å; V18-V211 HydrophobicContact CB-CG2 4.44Å; V18-V211 HydrophobicContact CG1-CG2 3.51Å; V18-V211 HydrophobicContact CG2-CG2 4Å |
| 19 | R | 89.1 | Confident | 88.8 | Confident | 193 Ų | 193 | 70.4 Ų | 70.4 | 73% | 0.728 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -67.3 | -32.3 | 174.7 | -176.9 | 178.7 | 176.4 | 177.1 | -0.5 | 112.7 | L15 H16 G17 D21 | L15-R19 WeakPolarHBondContact O-CB 3.37Å; L15-R19 PolarHBondContact O-N 2.84Å; H16-R19 WeakPolarHBondContact O-CB 3.38Å; H16-R19 PolarHBondContact O-N 3.08Å; G17-R19 PolarHBondContact O-N 2.98Å; R19-D21 VanDerWaalsContact C-N 3.31Å |
| 20 | D | 89.2 | Confident | 88.6 | Confident | 120 Ų | 120 | 70.8 Ų | 70.8 | 64% | 0.642 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 6.1 | 177 | -150.2 | -120.5 | 0 | 0 | 0 | 112.8 | H16 G17 V18 L22 | H16-D20 PolarHBondContact O-N 2.94Å; H16-D20 VanDerWaalsContact O-N 3.13Å; G17-D20 CarbonylContact O-C 3.56Å; G17-D20 WeakPolarHBondContact O-CA 3.31Å; G17-D20 PolarHBondContact O-N 3.47Å; V18-D20 VanDerWaalsContact C-N 3.31Å; V18-D20 PolarHBondContact O-N 3.42Å; D20-L22 PolarHBondContact O-N 2.96Å; D20-L22 WeakPolarHBondContact OD1-CD1 3.32Å |
| 21 | D | 86.5 | Confident | 88.5 | Confident | 66 Ų | 66 | 70.9 Ų | 70.9 | 35% | 0.353 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 27.3 | -174.9 | -143.4 | -108.8 | 0 | 0 | 0 | 114 | G17 V18 R19 C29 | G17-D21 PolarHBondContact O-N 3.04Å; G17-D21 VanDerWaalsContact O-N 3.11Å; V18-D21 PolarHBondContact O-N 2.93Å; R19-D21 VanDerWaalsContact C-N 3.31Å; D21-C29 PolarHBondContact OD2-SG 2.92Å |
| 22 | L | 87.6 | Confident | 88.5 | Confident | 102 Ų | 102 | 69 Ų | 69 | 53% | 0.534 | 36% | 0.357 | S | S | . | . | trans | -116.8 | 122.7 | 179 | -66.7 | 174.1 | 0 | 0 | 0 | 111 | G17 D20 | G17-L22 CarbonylContact C-O 3.59Å; G17-L22 VanDerWaalsContact CA-O 3.25Å; G17-L22 WeakPolarHBondContact CA-O 3.49Å; G17-L22 PolarHBondContact O-N 3.08Å; G17-L22 VanDerWaalsContact O-O 3.05Å; D20-L22 PolarHBondContact O-N 2.96Å; D20-L22 WeakPolarHBondContact OD1-CD1 3.32Å | ||
| 23 | R | 88.4 | Confident | 88.4 | Confident | 16 Ų | 16 | 67.1 Ų | 67.1 | 6% | 0.06 | 34% | 0.341 | C | S | . | . | trans | -102.5 | 164.4 | 173.8 | -63.2 | 175 | 69.7 | -175.7 | 2.9 | 111.4 | D25 G26 R27 G28 D31 V212 D213 E218 | R23-D25 PolarHBondContact O-N 3.28Å; R23-D25 VanDerWaalsContact O-N 3.17Å; R23-G26 PolarHBondContact O-N 3.46Å; R23-R27 WeakPolarHBondContact CB-O 3.39Å; R23-R27 WeakPolarHBondContact CG-O 3.48Å; R23-R27 PolarHBondContact N-O 3.17Å; R23-G28 VanDerWaalsContact CD-O 3.24Å; R23-G28 WeakPolarHBondContact CD-O 3.39Å; R23-D31 PolarHBondContact NH1-O 3.01Å; R23-V212 PolarHBondContact NH1-O 3.22Å; R23-D213 PolarHBondContact NH2-O 3.41Å; R23-E218 IonicContact CZ-OE1 3.93Å; R23-E218 IonicContact CZ-OE2 2.69Å; R23-E218 IonicContact NE-OE1 2.71Å; R23-E218 PolarHBondContact NE-OE1 3Å; R23-E218 IonicContact NE-OE2 2.84Å; R23-E218 IonicContact NH2-OE1 3.57Å; R23-E218 PolarHBondContact NH2-OE1 2.84Å; R23-E218 IonicContact NH2-OE2 3Å; R23-E218 PolarHBondContact NH2-OE2 2.75Å | ||
| 24 | V | 86.3 | Confident | 88.2 | Confident | 76 Ų | 76 | 66.4 Ų | 66.4 | 46% | 0.461 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -31.8 | 176 | -65.2 | 0 | 0 | 0 | 0 | 112.7 | Y13 G26 | Y13-V24 HydrophobicContact CE1-CG1 4.33Å; V24-G26 VanDerWaalsContact C-N 3.34Å |
| 25 | D | 84.2 | Confident | 88 | Confident | 82 Ų | 82 | 67.3 Ų | 67.3 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -1.3 | 179.1 | -55.3 | -39.9 | 0 | 0 | 0 | 113.3 | R23 R27 R33 | R23-D25 PolarHBondContact O-N 3.28Å; R23-D25 VanDerWaalsContact O-N 3.17Å; D25-R27 VanDerWaalsContact C-N 3.29Å; D25-R27 HydrophobicContact CB-CG 4.27Å; D25-R27 PolarHBondContact O-N 3Å; D25-R27 IonicContact OD2-CZ 3.56Å; D25-R27 IonicContact OD2-NE 2.68Å; D25-R27 IonicContact OD2-NH2 2.68Å; D25-R27 PolarHBondContact OD2-NH2 2.99Å; D25-R33 IonicContact OD2-NH2 3.58Å |
| 26 | G | 84.7 | Confident | 88 | Confident | 66 Ų | 66 | 69.2 Ų | 69.2 | 68% | 0.68 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 75.6 | 10.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | R23 V24 | R23-G26 PolarHBondContact O-N 3.46Å; V24-G26 VanDerWaalsContact C-N 3.34Å |
| 27 | R | 87.8 | Confident | 87.9 | Confident | 38 Ų | 38 | 65 Ų | 65 | 14% | 0.143 | 34% | 0.335 | C | S | . | . | trans | -86.4 | 156 | 176.6 | -65.3 | -175.8 | -69.7 | 147.2 | -7.2 | 112.1 | R23 D25 D31 Y32 R33 D213 | R23-R27 WeakPolarHBondContact CB-O 3.39Å; R23-R27 WeakPolarHBondContact CG-O 3.48Å; R23-R27 PolarHBondContact N-O 3.17Å; D25-R27 VanDerWaalsContact C-N 3.29Å; D25-R27 HydrophobicContact CB-CG 4.27Å; D25-R27 PolarHBondContact O-N 3Å; D25-R27 IonicContact OD2-CZ 3.56Å; D25-R27 IonicContact OD2-NE 2.68Å; D25-R27 IonicContact OD2-NH2 2.68Å; D25-R27 PolarHBondContact OD2-NH2 2.99Å; R27-D31 HydrophobicContact CB-CB 4.28Å; R27-D31 PolarHBondContact NH1-O 3.17Å; R27-Y32 VanDerWaalsContact NH1-C 3.34Å; R27-R33 VanDerWaalsContact CZ-CG 3.4Å; R27-R33 VanDerWaalsContact NH1-CG 3.34Å; R27-R33 VanDerWaalsContact NH1-N 3.13Å; R27-D213 IonicContact CZ-OD1 2.56Å; R27-D213 IonicContact NH1-OD1 3.15Å; R27-D213 PolarHBondContact NH1-OD1 3.36Å; R27-D213 IonicContact NH2-OD1 3.43Å | ||
| 28 | G | 88.4 | Confident | 87.7 | Confident | 11 Ų | 11 | 66.1 Ų | 66.1 | 11% | 0.113 | 34% | 0.336 | C | S | . | . | trans | -75.3 | 177.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | R23 E30 D31 | R23-G28 VanDerWaalsContact CD-O 3.24Å; R23-G28 WeakPolarHBondContact CD-O 3.39Å; G28-E30 VanDerWaalsContact C-N 3.32Å; G28-E30 PolarHBondContact O-N 3.25Å; G28-D31 PolarHBondContact N-OD2 2.9Å | ||
| 29 | C | 86.4 | Confident | 87.6 | Confident | 3 Ų | 3 | 67.5 Ų | 67.5 | 2% | 0.02 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -21.5 | -178.8 | -66.4 | 0 | 0 | 0 | 0 | 114.2 | D21 V211 V212 | D21-C29 PolarHBondContact OD2-SG 2.92Å; C29-V211 HydrophobicContact CB-CG2 4.39Å; C29-V211 WeakPolarHBondContact O-CA 3.46Å; C29-V212 PolarHBondContact O-N 3.45Å |
| 30 | E | 87.6 | Confident | 87.4 | Confident | 80 Ų | 80 | 60.3 Ų | 60.3 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 2.5 | -176.6 | -66.8 | 178.7 | 87 | 0 | 0 | 113.3 | G28 T258 R261 | G28-E30 VanDerWaalsContact C-N 3.32Å; G28-E30 PolarHBondContact O-N 3.25Å; E30-T258 HydrophobicContact CG-CG2 4.04Å; E30-R261 IonicContact OE1-NH1 2.75Å; E30-R261 PolarHBondContact OE1-NH1 3.03Å; E30-R261 VanDerWaalsContact OE1-NH1 3.15Å |
| 31 | D | 87.8 | Confident | 86.9 | Confident | 90 Ų | 90 | 56.2 Ų | 56.2 | 48% | 0.481 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -97 | 134 | -173.4 | -71.2 | -66.9 | 0 | 0 | 0 | 114 | R23 R27 G28 | R23-D31 PolarHBondContact NH1-O 3.01Å; R27-D31 HydrophobicContact CB-CB 4.28Å; R27-D31 PolarHBondContact NH1-O 3.17Å; G28-D31 PolarHBondContact N-OD2 2.9Å |
| 32 | Y | 88.4 | Confident | 86.8 | Confident | 47 Ų | 47 | 55.5 Ų | 55.5 | 18% | 0.184 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 157.6 | 172.8 | -82.3 | -74.5 | 0 | 0 | 0 | 113.7 | R27 M35 N147 D150 V212 D213 V262 L266 | R27-Y32 VanDerWaalsContact NH1-C 3.34Å; Y32-M35 HydrophobicContact CD1-CE 3.27Å; Y32-M35 HydrophobicContact CD2-CE 4.28Å; Y32-M35 HydrophobicContact CE1-CE 3.76Å; Y32-M35 HydrophobicContact CG-CE 3.59Å; Y32-N147 WeakPolarHBondContact CE1-ND2 3.34Å; Y32-D150 WeakPolarHBondContact CE1-OD2 3.2Å; Y32-D150 PolarHBondContact OH-OD2 3.36Å; Y32-V212 HydrophobicContact CD1-CG1 4.33Å; Y32-V212 HydrophobicContact CD2-CG1 4.2Å; Y32-V212 HydrophobicContact CE1-CG1 3.68Å; Y32-V212 HydrophobicContact CE2-CG1 3.61Å; Y32-D213 HydrophobicContact CD1-CB 3.49Å; Y32-D213 VanDerWaalsContact CD1-CB 3.49Å; Y32-D213 HydrophobicContact CE1-CB 3.69Å; Y32-D213 HydrophobicContact CG-CB 4.4Å; Y32-V262 HydrophobicContact CD2-CG1 4.19Å; Y32-V262 HydrophobicContact CE2-CG1 3.24Å; Y32-L266 HydrophobicContact CD2-CD1 4.16Å; Y32-L266 HydrophobicContact CE1-CD1 4.38Å; Y32-L266 HydrophobicContact CE2-CD1 3.39Å; Y32-L266 HydrophobicContact CE2-CG 4.19Å; Y32-L266 WeakPolarHBondContact OH-CD1 3.28Å |
| 33 | R | 89.8 | Confident | 86.5 | Confident | 39 Ų | 39 | 55.8 Ų | 55.8 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -66.6 | 159.9 | 161.5 | -72.5 | 167.3 | 177.4 | -174.6 | -12.1 | 110.3 | D25 R27 M35 L53 D145 D213 | D25-R33 IonicContact OD2-NH2 3.58Å; R27-R33 VanDerWaalsContact CZ-CG 3.4Å; R27-R33 VanDerWaalsContact NH1-CG 3.34Å; R27-R33 VanDerWaalsContact NH1-N 3.13Å; R33-M35 PolarHBondContact O-N 2.84Å; R33-L53 HydrophobicContact CB-CD1 3.99Å; R33-D145 IonicContact CZ-OD1 3.52Å; R33-D145 PolarHBondContact NH1-O 3.44Å; R33-D145 IonicContact NH1-OD1 2.88Å; R33-D145 PolarHBondContact NH1-OD1 3.43Å; R33-D145 IonicContact NH2-OD1 3.76Å; R33-D213 VanDerWaalsContact CG-OD1 3.3Å; R33-D213 WeakPolarHBondContact CG-OD1 3.41Å; R33-D213 PolarHBondContact N-OD1 3.4Å; R33-D213 IonicContact NE-OD1 3.68Å |
| 34 | H | 87.3 | Confident | 86.4 | Confident | 145 Ų | 145 | 62.4 Ų | 62.4 | 67% | 0.671 | 34% | 0.343 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 130.5 | 168.3 | -170.2 | 64.4 | 0 | 0 | 0 | 109.7 | G54 | H34-G54 PolarHBondContact O-N 3.2Š|
| 35 | M | 88.1 | Confident | 86.5 | Confident | 33 Ų | 33 | 60.5 Ų | 60.5 | 16% | 0.163 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.8 | 177.7 | -46.1 | -155.8 | -179.2 | 0 | 0 | 108.8 | Y32 R33 T52 L53 L266 | Y32-M35 HydrophobicContact CD1-CE 3.27Å; Y32-M35 HydrophobicContact CD2-CE 4.28Å; Y32-M35 HydrophobicContact CE1-CE 3.76Å; Y32-M35 HydrophobicContact CG-CE 3.59Å; R33-M35 PolarHBondContact O-N 2.84Å; M35-T52 WeakPolarHBondContact CA-O 3.22Å; M35-L53 HydrophobicContact CB-CD1 4.39Å; M35-L53 HydrophobicContact CE-CD1 3.58Å; M35-L53 HydrophobicContact CG-CD1 3.44Å; M35-L53 VanDerWaalsContact CG-CD1 3.44Å; M35-L53 HydrophobicContact SD-CD1 3.78Å; M35-L266 HydrophobicContact CE-CD1 4.32Å; M35-L266 HydrophobicContact CE-CD2 4.1Å; M35-L266 HydrophobicContact SD-CD2 4.12Å |
| 36 | E | 89.1 | Confident | 86.7 | Confident | 114 Ų | 114 | 59.1 Ų | 59.1 | 53% | 0.533 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 131.7 | 171 | -63.1 | 178.9 | 93.4 | 0 | 0 | 108.4 | V51 T52 | E36-V51 WeakPolarHBondContact O-CA 3.48Å; E36-T52 PolarHBondContact N-O 3.08Å; E36-T52 PolarHBondContact O-N 3.38Å |
| 37 | I | 88.7 | Confident | 86.9 | Confident | 25 Ų | 25 | 56 Ų | 56 | 13% | 0.128 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 127.9 | -176.8 | -53.1 | 178.5 | 0 | 0 | 0 | 106.9 | V51 V154 A158 L270 | I37-V51 HydrophobicContact CG1-CG2 4.2Å; I37-V51 HydrophobicContact CG2-CG2 4.21Å; I37-V154 HydrophobicContact CD1-CG1 3.56Å; I37-V154 HydrophobicContact CG1-CG1 4.36Å; I37-A158 HydrophobicContact CG2-CB 3.98Å; I37-L270 HydrophobicContact CD1-CD1 3.26Å |
| 38 | E | 87.8 | Confident | 87.1 | Confident | 40 Ų | 40 | 54.2 Ų | 54.2 | 19% | 0.187 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 117.8 | 177.7 | -59.2 | -171 | 93.7 | 0 | 0 | 108.5 | A49 K50 | E38-A49 CarbonylContact O-C 3.48Å; E38-A49 VanDerWaalsContact O-CA 3.3Å; E38-A49 WeakPolarHBondContact O-CA 3.48Å; E38-K50 PolarHBondContact N-O 3.46Å; E38-K50 PolarHBondContact O-N 3.5Å |
| 39 | T | 86.4 | Confident | 87.3 | Confident | 31 Ų | 31 | 53.7 Ų | 53.7 | 19% | 0.19 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 157.8 | 174.5 | 54.4 | 0 | 0 | 0 | 0 | 111.5 | M41 A158 L274 E277 | T39-M41 PolarHBondContact O-N 3.06Å; T39-A158 HydrophobicContact CG2-CB 4.22Å; T39-L274 HydrophobicContact CG2-CD2 3.58Å; T39-E277 WeakPolarHBondContact CG2-OE2 3.32Å; T39-E277 PolarHBondContact OG1-OE2 3.26Å |
| 40 | D | 84.2 | Confident | 87.5 | Confident | 43 Ų | 43 | 54.7 Ų | 54.7 | 23% | 0.23 | 28% | 0.284 | C | S | . | . | trans | 65.1 | 38 | 169.7 | -147.7 | -128.4 | 0 | 0 | 0 | 115.5 | S48 N162 K286 | D40-S48 PolarHBondContact N-O 3.02Å; D40-N162 WeakPolarHBondContact CA-ND2 3.46Å; D40-N162 VanDerWaalsContact CB-ND2 3.34Å; D40-N162 WeakPolarHBondContact CB-ND2 3.48Å; D40-N162 PolarHBondContact N-ND2 3Å; D40-N162 PolarHBondContact OD2-ND2 2.84Å; D40-K286 PolarHBondContact O-NZ 3.47Å; D40-K286 WeakPolarHBondContact OD1-CE 3.36Å; D40-K286 IonicContact OD1-NZ 2.8Å; D40-K286 PolarHBondContact OD1-NZ 2.86Å | ||
| 41 | M | 79.6 | Confident | 87.7 | Confident | 34 Ų | 34 | 50.9 Ų | 50.9 | 17% | 0.167 | 27% | 0.266 | C | S | . | . | trans | -70.2 | -49.6 | 178.1 | -94.8 | -88.5 | -136.3 | 0 | 0 | 113.5 | T39 S48 K50 L59 G288 F289 | T39-M41 PolarHBondContact O-N 3.06Å; M41-S48 PolarHBondContact N-OG 3.44Å; M41-S48 VanDerWaalsContact N-OG 3.1Å; M41-K50 HydrophobicContact CE-CB 3.71Å; M41-K50 HydrophobicContact CE-CD 3.14Å; M41-K50 HydrophobicContact CE-CG 4.03Å; M41-K50 HydrophobicContact CG-CB 4.16Å; M41-L59 HydrophobicContact CB-CD1 4.34Å; M41-G288 WeakPolarHBondContact SD-CA 3.36Å; M41-F289 HydrophobicContact CE-CD2 3.55Å; M41-F289 HydrophobicContact CE-CE1 4.38Å; M41-F289 HydrophobicContact CE-CE2 3.32Å; M41-F289 HydrophobicContact CE-CG 4.18Å; M41-F289 HydrophobicContact CE-CZ 3.78Å; M41-F289 HydrophobicContact SD-CD2 3.63Å; M41-F289 HydrophobicContact SD-CE2 3.49Å; M41-F289 WeakPolarHBondContact SD-CE2 2.86Å; M41-F289 HydrophobicContact SD-CZ 4.45Å | ||
| 42 | V | 84.8 | Confident | 87.9 | Confident | 51 Ų | 51 | 47.7 Ų | 47.7 | 31% | 0.309 | 25% | 0.25 | S | C | . | . | trans | -99.8 | 122.4 | -175.4 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | N44 T45 S48 L59 | V42-N44 HydrophobicContact CG1-CB 4.48Å; V42-T45 HydrophobicContact CG1-CG2 4.08Å; V42-T45 PolarHBondContact O-OG1 3.27Å; V42-T45 VanDerWaalsContact O-OG1 3.13Å; V42-S48 PolarHBondContact N-OG 3.37Å; V42-S48 PolarHBondContact O-OG 3.48Å; V42-L59 HydrophobicContact CG2-CD1 4.41Å; V42-L59 HydrophobicContact CG2-CD2 4.34Å | ||
| 43 | S | 81.4 | Confident | 87.9 | Confident | 108 Ų | 108 | 45.5 Ų | 45.5 | 76% | 0.755 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -16.8 | -175.3 | -52.9 | 0 | 0 | 0 | 0 | 114.1 | T45 | S43-T45 VanDerWaalsContact C-N 3.34Š|
| 44 | N | 86.6 | Confident | 87.7 | Confident | 155 Ų | 155 | 45.3 Ų | 45.3 | 83% | 0.829 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6.1 | -177 | -165.3 | 56.4 | 0 | 0 | 0 | 113.5 | V42 | V42-N44 HydrophobicContact CG1-CB 4.48Š|
| 45 | T | 86.8 | Confident | 87.7 | Confident | 35 Ų | 35 | 43.9 Ų | 43.9 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -110.6 | 145.5 | -177.2 | 49.8 | 0 | 0 | 0 | 0 | 109.8 | V42 S43 G47 | V42-T45 HydrophobicContact CG1-CG2 4.08Å; V42-T45 PolarHBondContact O-OG1 3.27Å; V42-T45 VanDerWaalsContact O-OG1 3.13Å; S43-T45 VanDerWaalsContact C-N 3.34Å; T45-G47 PolarHBondContact O-N 3.5Å; T45-G47 PolarHBondContact OG1-O 3.5Å |
| 46 | D | 88.5 | Confident | 87.7 | Confident | 54 Ų | 54 | 42.4 Ų | 42.4 | 29% | 0.289 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -64.3 | -25.4 | 179.4 | -57.2 | -70.8 | 0 | 0 | 0 | 113 | V62 K63 A64 T163 K164 | D46-V62 PolarHBondContact N-O 3.17Å; D46-V62 VanDerWaalsContact N-O 3.08Å; D46-K63 WeakPolarHBondContact OD2-CA 3.35Å; D46-A64 PolarHBondContact OD2-N 3.49Å; D46-T163 HydrophobicContact CB-CG2 4.24Å; D46-T163 WeakPolarHBondContact O-CA 3.41Å; D46-K164 PolarHBondContact O-N 2.81Å |
| 47 | G | 89.4 | Confident | 87.8 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 145.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | T45 V62 | T45-G47 PolarHBondContact O-N 3.5Å; T45-G47 PolarHBondContact OG1-O 3.5Å; G47-V62 PolarHBondContact N-O 3.13Å; G47-V62 VanDerWaalsContact N-O 3.14Å; G47-V62 PolarHBondContact O-N 3.15Å |
| 48 | S | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 151.6 | 172 | 57.1 | 0 | 0 | 0 | 0 | 111.3 | D40 M41 V42 V60 | D40-S48 PolarHBondContact N-O 3.02Å; M41-S48 PolarHBondContact N-OG 3.44Å; M41-S48 VanDerWaalsContact N-OG 3.1Å; V42-S48 PolarHBondContact N-OG 3.37Å; V42-S48 PolarHBondContact O-OG 3.48Å; S48-V60 CarbonylContact C-O 3.59Å; S48-V60 VanDerWaalsContact CA-O 3.24Å; S48-V60 WeakPolarHBondContact CA-O 3.47Å |
| 49 | A | 92 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 145.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E38 V60 A158 A159 | E38-A49 CarbonylContact O-C 3.48Å; E38-A49 VanDerWaalsContact O-CA 3.3Å; E38-A49 WeakPolarHBondContact O-CA 3.48Å; A49-V60 PolarHBondContact N-O 3.39Å; A49-V60 PolarHBondContact O-N 3.02Å; A49-A158 HydrophobicContact CB-CB 3.66Å; A49-A159 HydrophobicContact CB-CB 3.92Å |
| 50 | K | 91.7 | Very high | 88.6 | Confident | 25 Ų | 25 | 35 Ų | 35 | 11% | 0.109 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138.7 | 165.9 | -178 | -174.9 | 166.7 | -161.7 | 0 | 108.6 | E38 M41 T52 V58 L59 F289 | E38-K50 PolarHBondContact N-O 3.46Å; E38-K50 PolarHBondContact O-N 3.5Å; M41-K50 HydrophobicContact CE-CB 3.71Å; M41-K50 HydrophobicContact CE-CD 3.14Å; M41-K50 HydrophobicContact CE-CG 4.03Å; M41-K50 HydrophobicContact CG-CB 4.16Å; K50-T52 WeakPolarHBondContact CE-OG1 3.4Å; K50-V58 CarbonylContact C-O 2.93Å; K50-V58 WeakPolarHBondContact CA-O 3.49Å; K50-L59 HydrophobicContact CB-CD1 4Å; K50-F289 HydrophobicContact CD-CE1 4.24Å; K50-F289 HydrophobicContact CD-CZ 4.17Å |
| 51 | V | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128.1 | 171.3 | 176.6 | 0 | 0 | 0 | 0 | 108.7 | E36 I37 V58 V154 A155 | E36-V51 WeakPolarHBondContact O-CA 3.48Å; I37-V51 HydrophobicContact CG1-CG2 4.2Å; I37-V51 HydrophobicContact CG2-CG2 4.21Å; V51-V58 PolarHBondContact N-O 3.05Å; V51-V58 PolarHBondContact O-N 3.1Å; V51-V154 HydrophobicContact CG2-CG1 4.12Å; V51-A155 HydrophobicContact CB-CB 4.08Å; V51-A155 HydrophobicContact CG2-CB 3.54Å |
| 52 | T | 90.9 | Very high | 89.8 | Confident | 22 Ų | 22 | 32 Ų | 32 | 14% | 0.135 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 110.1 | 172.6 | -61.9 | 0 | 0 | 0 | 0 | 107.9 | M35 E36 K50 D57 | M35-T52 WeakPolarHBondContact CA-O 3.22Å; E36-T52 PolarHBondContact N-O 3.08Å; E36-T52 PolarHBondContact O-N 3.38Å; K50-T52 WeakPolarHBondContact CE-OG1 3.4Å; T52-D57 VanDerWaalsContact CB-OD1 3.24Å; T52-D57 WeakPolarHBondContact CB-OD1 3.38Å; T52-D57 WeakPolarHBondContact CG2-OD1 3.48Å; T52-D57 PolarHBondContact OG1-OD1 3.42Å |
| 53 | L | 88.9 | Confident | 90.2 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 88.9 | 176.7 | 177.2 | 67.1 | 0 | 0 | 0 | 108.7 | R33 M35 H55 T56 N147 A151 | R33-L53 HydrophobicContact CB-CD1 3.99Å; M35-L53 HydrophobicContact CB-CD1 4.39Å; M35-L53 HydrophobicContact CE-CD1 3.58Å; M35-L53 HydrophobicContact CG-CD1 3.44Å; M35-L53 VanDerWaalsContact CG-CD1 3.44Å; M35-L53 HydrophobicContact SD-CD1 3.78Å; L53-H55 PolarHBondContact O-N 3.13Å; L53-T56 PolarHBondContact N-O 3.32Å; L53-T56 PolarHBondContact O-N 2.94Å; L53-N147 HydrophobicContact CD2-CB 4.01Å; L53-A151 HydrophobicContact CB-CB 4.32Å; L53-A151 HydrophobicContact CD2-CB 4.18Å |
| 54 | G | 86.4 | Confident | 90.6 | Very high | 36 Ų | 36 | 29.3 Ų | 29.3 | 37% | 0.371 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.9 | -99.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | H34 | H34-G54 PolarHBondContact O-N 3.2Š|
| 55 | H | 85.9 | Confident | 90.7 | Very high | 115 Ų | 115 | 25.6 Ų | 25.6 | 53% | 0.532 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 16.2 | 178 | -66.1 | -52.3 | 0 | 0 | 0 | 112.9 | L53 Q143 D145 | L53-H55 PolarHBondContact O-N 3.13Å; H55-Q143 WeakPolarHBondContact O-CB 3.15Å; H55-Q143 VanDerWaalsContact O-CD 3.29Å; H55-Q143 WeakPolarHBondContact O-CG 3.4Å; H55-Q143 PolarHBondContact O-NE2 3.46Å; H55-D145 HydrophobicContact CB-CB 3.4Å; H55-D145 VanDerWaalsContact CB-CB 3.4Å; H55-D145 WeakPolarHBondContact O-CB 3.42Å |
| 56 | T | 88.4 | Confident | 90.8 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 115.6 | 172.9 | -67.4 | 0 | 0 | 0 | 0 | 108.8 | L53 V58 Q143 D145 G146 L148 A151 | L53-T56 PolarHBondContact N-O 3.32Å; L53-T56 PolarHBondContact O-N 2.94Å; T56-V58 HydrophobicContact CG2-CG2 4.09Å; T56-Q143 WeakPolarHBondContact CA-O 3.45Å; T56-D145 WeakPolarHBondContact OG1-CA 3.48Å; T56-D145 PolarHBondContact OG1-N 3.03Å; T56-G146 PolarHBondContact OG1-O 3.32Å; T56-L148 HydrophobicContact CG2-CD2 3.76Å; T56-A151 HydrophobicContact CG2-CB 4.15Å |
| 57 | D | 91.3 | Very high | 90.7 | Very high | 30 Ų | 30 | 25.6 Ų | 25.6 | 16% | 0.16 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123 | 179.1 | -77 | -53.2 | 0 | 0 | 0 | 110 | T52 L142 Q143 | T52-D57 VanDerWaalsContact CB-OD1 3.24Å; T52-D57 WeakPolarHBondContact CB-OD1 3.38Å; T52-D57 WeakPolarHBondContact CG2-OD1 3.48Å; T52-D57 PolarHBondContact OG1-OD1 3.42Å; D57-L142 HydrophobicContact CB-CB 3.84Å; D57-L142 HydrophobicContact CB-CD1 4.45Å; D57-L142 PolarHBondContact O-N 3.08Å; D57-Q143 HydrophobicContact CB-CB 4Å; D57-Q143 PolarHBondContact N-O 3.12Å; D57-Q143 PolarHBondContact O-N 3.35Å |
| 58 | V | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 129.7 | 178.9 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | K50 V51 T56 V60 V139 L141 A151 I152 A155 | K50-V58 CarbonylContact C-O 2.93Å; K50-V58 WeakPolarHBondContact CA-O 3.49Å; V51-V58 PolarHBondContact N-O 3.05Å; V51-V58 PolarHBondContact O-N 3.1Å; T56-V58 HydrophobicContact CG2-CG2 4.09Å; V58-V60 HydrophobicContact CG1-CG2 4.08Å; V58-V139 HydrophobicContact CG1-CG1 3.71Å; V58-L141 HydrophobicContact CB-CD2 4.43Å; V58-L141 HydrophobicContact CG1-CD2 4.09Å; V58-L141 HydrophobicContact CG2-CD2 3.71Å; V58-A151 HydrophobicContact CG2-CB 3.93Å; V58-I152 HydrophobicContact CG1-CG1 4.01Å; V58-I152 HydrophobicContact CG2-CG1 4.27Å; V58-A155 HydrophobicContact CG1-CB 4.28Å |
| 59 | L | 93.3 | Very high | 90.3 | Very high | 26 Ų | 26 | 33.9 Ų | 33.9 | 14% | 0.136 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 133 | 171.5 | -178.5 | 68.7 | 0 | 0 | 0 | 108.7 | M41 V42 K50 L140 L142 | M41-L59 HydrophobicContact CB-CD1 4.34Å; V42-L59 HydrophobicContact CG2-CD1 4.41Å; V42-L59 HydrophobicContact CG2-CD2 4.34Å; K50-L59 HydrophobicContact CB-CD1 4Å; L59-L140 HydrophobicContact CB-CB 4.36Å; L59-L140 HydrophobicContact CD2-CD2 4.33Å; L59-L140 PolarHBondContact N-O 3.16Å; L59-L140 PolarHBondContact O-N 2.8Å; L59-L142 HydrophobicContact CB-CD1 4.33Å |
| 60 | V | 94.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 131.2 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 109.5 | S48 A49 V58 V137 D138 V139 A155 I156 A159 | S48-V60 CarbonylContact C-O 3.59Å; S48-V60 VanDerWaalsContact CA-O 3.24Å; S48-V60 WeakPolarHBondContact CA-O 3.47Å; A49-V60 PolarHBondContact N-O 3.39Å; A49-V60 PolarHBondContact O-N 3.02Å; V58-V60 HydrophobicContact CG1-CG2 4.08Å; V60-V137 HydrophobicContact CG1-CG1 3.77Å; V60-D138 CarbonylContact C-O 3.46Å; V60-D138 WeakPolarHBondContact CA-O 3.36Å; V60-V139 HydrophobicContact CG2-CB 4.38Å; V60-V139 HydrophobicContact CG2-CG1 4.15Å; V60-V139 HydrophobicContact CG2-CG2 4.05Å; V60-A155 HydrophobicContact CB-CB 4.25Å; V60-A155 HydrophobicContact CG2-CB 3.44Å; V60-A155 VanDerWaalsContact CG2-CB 3.44Å; V60-I156 HydrophobicContact CG1-CG1 4.15Å; V60-I156 HydrophobicContact CG2-CG1 4.28Å; V60-A159 HydrophobicContact CB-CB 4.17Å; V60-A159 HydrophobicContact CG1-CB 3.79Å |
| 61 | G | 94.1 | Very high | 89.3 | Confident | 12 Ų | 12 | 44.7 Ų | 44.7 | 12% | 0.124 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 141.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | V137 D138 | G61-V137 WeakPolarHBondContact O-CA 3.48Å; G61-D138 PolarHBondContact N-O 3.16Å; G61-D138 PolarHBondContact O-N 3.48Å |
| 62 | V | 93.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 125.8 | 172.9 | -177.3 | 0 | 0 | 0 | 0 | 107.9 | D46 G47 L135 Y136 V137 A159 L160 T163 | D46-V62 PolarHBondContact N-O 3.17Å; D46-V62 VanDerWaalsContact N-O 3.08Å; G47-V62 PolarHBondContact N-O 3.13Å; G47-V62 VanDerWaalsContact N-O 3.14Å; G47-V62 PolarHBondContact O-N 3.15Å; V62-L135 HydrophobicContact CG1-CB 4.47Å; V62-Y136 CarbonylContact C-O 3.56Å; V62-Y136 VanDerWaalsContact CA-O 3.3Å; V62-Y136 WeakPolarHBondContact CA-O 3.44Å; V62-V137 HydrophobicContact CG1-CG2 4.5Å; V62-V137 HydrophobicContact CG2-CG1 4.39Å; V62-V137 HydrophobicContact CG2-CG2 4.23Å; V62-A159 HydrophobicContact CG2-CB 3.75Å; V62-L160 HydrophobicContact CG1-CD2 4.49Å; V62-L160 HydrophobicContact CG2-CD2 4.44Å; V62-T163 HydrophobicContact CG1-CG2 3.97Å |
| 63 | K | 92.7 | Very high | 88.4 | Confident | 91 Ų | 91 | 55 Ų | 55 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129 | 175.3 | -168 | -173.6 | -175.5 | -161.7 | 0 | 109.7 | D46 E65 L135 Y136 | D46-K63 WeakPolarHBondContact OD2-CA 3.35Å; K63-E65 HydrophobicContact CD-CG 4.16Å; K63-E65 WeakPolarHBondContact CE-OE1 3.4Å; K63-E65 HydrophobicContact CG-CG 4.27Å; K63-E65 IonicContact NZ-OE1 3.6Å; K63-E65 PolarHBondContact NZ-OE1 3.17Å; K63-L135 WeakPolarHBondContact O-CA 3.48Å; K63-Y136 PolarHBondContact N-O 2.88Å; K63-Y136 PolarHBondContact O-N 2.8Å |
| 64 | A | 90.4 | Very high | 88.1 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 11% | 0.107 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 119.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | D46 W133 L135 I165 | D46-A64 PolarHBondContact OD2-N 3.49Å; A64-W133 HydrophobicContact CB-CE3 3.94Å; A64-W133 HydrophobicContact CB-CZ3 4.02Å; A64-L135 HydrophobicContact CB-CD2 3.67Å; A64-I165 HydrophobicContact CB-CG1 4.29Å; A64-I165 HydrophobicContact CB-CG2 4.41Å |
| 65 | E | 89.5 | Confident | 87.9 | Confident | 77 Ų | 77 | 60 Ų | 60 | 36% | 0.36 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 148.1 | 175 | -63.2 | -167.9 | 133.4 | 0 | 0 | 110.6 | K63 V134 Y136 | K63-E65 HydrophobicContact CD-CG 4.16Å; K63-E65 WeakPolarHBondContact CE-OE1 3.4Å; K63-E65 HydrophobicContact CG-CG 4.27Å; K63-E65 IonicContact NZ-OE1 3.6Å; K63-E65 PolarHBondContact NZ-OE1 3.17Å; E65-V134 PolarHBondContact N-O 3.09Å; E65-V134 PolarHBondContact O-N 2.94Å; E65-Y136 HydrophobicContact CB-CD2 4.25Å; E65-Y136 HydrophobicContact CB-CE2 4.03Å; E65-Y136 HydrophobicContact CG-CD2 4.1Å; E65-Y136 HydrophobicContact CG-CE2 4.24Å; E65-Y136 WeakPolarHBondContact OE2-CD2 2.85Å; E65-Y136 WeakPolarHBondContact OE2-CE2 3.22Å |
| 66 | M | 88.1 | Confident | 87.9 | Confident | 67 Ų | 67 | 56 Ų | 56 | 33% | 0.33 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 120.5 | 172.3 | -61.9 | -174.1 | -157.3 | 0 | 0 | 109.3 | I126 W133 V168 I180 L182 | M66-I126 HydrophobicContact CG-CD1 4.12Å; M66-I126 HydrophobicContact SD-CD1 4.16Å; M66-W133 HydrophobicContact CE-CH2 3.48Å; M66-W133 VanDerWaalsContact CE-CH2 3.48Å; M66-W133 HydrophobicContact CE-CZ2 3.73Å; M66-W133 HydrophobicContact CE-CZ3 4.26Å; M66-W133 HydrophobicContact CG-CD2 4.38Å; M66-W133 HydrophobicContact CG-CE3 3.97Å; M66-W133 HydrophobicContact CG-CH2 3.82Å; M66-W133 HydrophobicContact CG-CZ2 4.24Å; M66-W133 HydrophobicContact CG-CZ3 3.66Å; M66-V168 HydrophobicContact CE-CG1 3.26Å; M66-V168 HydrophobicContact SD-CG1 4.28Å; M66-I180 HydrophobicContact CE-CG2 4.03Å; M66-I180 HydrophobicContact SD-CD1 4.07Å; M66-I180 HydrophobicContact SD-CG2 3.93Å; M66-L182 HydrophobicContact CE-CD1 4.32Å; M66-L182 HydrophobicContact CE-CD2 3.47Å; M66-L182 VanDerWaalsContact CE-CD2 3.47Å; M66-L182 HydrophobicContact CE-CG 3.98Å |
| 67 | G | 86.3 | Confident | 87.7 | Confident | 21 Ų | 21 | 56 Ų | 56 | 22% | 0.216 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 179.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | C132 | G67-C132 PolarHBondContact N-O 2.69Å; G67-C132 PolarHBondContact O-N 2.96Å; G67-C132 VanDerWaalsContact O-O 3.11Å |
| 68 | K | 86.2 | Confident | 87.5 | Confident | 162 Ų | 162 | 56.8 Ų | 56.8 | 70% | 0.704 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -86.8 | 135.2 | 170 | -67 | -172.7 | 175.7 | -177.6 | 0 | 109.3 | ||
| 69 | P | 86.3 | Confident | 87.4 | Confident | 13 Ų | 13 | 57.5 Ų | 57.5 | 8% | 0.084 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 162 | 176.4 | 26.9 | -33.2 | 0 | 0 | 0 | 111.3 | C132 | P69-C132 WeakPolarHBondContact CA-SG 3.24Å; P69-C132 HydrophobicContact CB-CB 4.02Å; P69-C132 HydrophobicContact CG-CB 4.42Å |
| 70 | R | 84.1 | Confident | 87.3 | Confident | 119 Ų | 119 | 59.1 Ų | 59.1 | 45% | 0.449 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 136.9 | 176.9 | -64.8 | -178.4 | -179 | -169.4 | -0.8 | 109.3 | M72 V73 Y78 | R70-M72 PolarHBondContact O-N 3.21Å; R70-V73 HydrophobicContact CB-CG2 4.05Å; R70-V73 CarbonylContact O-C 3.58Å; R70-V73 PolarHBondContact O-N 3.16Å; R70-Y78 HydrophobicContact CG-CD1 4.15Å; R70-Y78 HydrophobicContact CG-CE1 4.26Å |
| 71 | P | 79.4 | Confident | 87.2 | Confident | 132 Ų | 132 | 59.6 Ų | 59.6 | 86% | 0.857 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.2 | -175.7 | 24 | -34.3 | 0 | 0 | 0 | 113.7 | ||
| 72 | M | 81.7 | Confident | 87.1 | Confident | 181 Ų | 181 | 64.8 Ų | 64.8 | 89% | 0.892 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -24.6 | 175.7 | -72.6 | -176.2 | 169.1 | 0 | 0 | 113.8 | R70 | R70-M72 PolarHBondContact O-N 3.21Š|
| 73 | V | 82.8 | Confident | 87 | Confident | 58 Ų | 58 | 65.2 Ų | 65.2 | 35% | 0.352 | 33% | 0.328 | S | S | . | . | trans | -140.6 | 78.6 | -177.3 | -74.7 | 0 | 0 | 0 | 0 | 109.3 | R70 D75 | R70-V73 HydrophobicContact CB-CG2 4.05Å; R70-V73 CarbonylContact O-C 3.58Å; R70-V73 PolarHBondContact O-N 3.16Å; V73-D75 VanDerWaalsContact C-N 3.25Å; V73-D75 PolarHBondContact O-N 2.84Å | ||
| 74 | P | 81.8 | Confident | 86.9 | Confident | 46 Ų | 46 | 64.7 Ų | 64.7 | 30% | 0.299 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -18.3 | -174.4 | 27.9 | -33.9 | 0 | 0 | 0 | 114 | P128 G129 | P74-P128 WeakPolarHBondContact O-CA 3.26Å; P74-G129 PolarHBondContact O-N 3.35Å; P74-G129 VanDerWaalsContact O-N 3.14Å |
| 75 | D | 82.7 | Confident | 86.7 | Confident | 97 Ų | 97 | 64.6 Ų | 64.6 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 1.5 | -173.6 | -57.5 | -81.8 | 0 | 0 | 0 | 114.5 | V73 C125 | V73-D75 VanDerWaalsContact C-N 3.25Å; V73-D75 PolarHBondContact O-N 2.84Å; D75-C125 WeakPolarHBondContact O-CB 3.45Å |
| 76 | E | 84.9 | Confident | 86.5 | Confident | 29 Ų | 29 | 62.1 Ų | 62.1 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | trans | -130.6 | 136.2 | -175.4 | -68.6 | 176.4 | 165.3 | 0 | 0 | 109.9 | R116 L121 K122 | E76-R116 IonicContact OE1-NH1 3.53Å; E76-R116 PolarHBondContact OE1-NH1 3.04Å; E76-R116 IonicContact OE2-NH1 3.84Å; E76-L121 HydrophobicContact CB-CB 3.94Å; E76-L121 HydrophobicContact CG-CB 4.26Å; E76-K122 HydrophobicContact CG-CG 3.99Å | ||
| 77 | G | 85.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.031 | 32% | 0.321 | C | S | . | . | trans | -69.6 | 177.7 | 165 | 0 | 0 | 0 | 0 | 0 | 111.5 | L121 | G77-L121 PolarHBondContact N-O 2.93Š| ||
| 78 | Y | 87.2 | Confident | 85.9 | Confident | 45 Ų | 45 | 66.2 Ų | 66.2 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 157.3 | 176 | 63.6 | -87.1 | 0 | 0 | 0 | 112.3 | R70 E80 V134 L135 | R70-Y78 HydrophobicContact CG-CD1 4.15Å; R70-Y78 HydrophobicContact CG-CE1 4.26Å; Y78-E80 HydrophobicContact CD2-CG 3.75Å; Y78-E80 HydrophobicContact CE2-CG 3.52Å; Y78-E80 WeakPolarHBondContact CE2-OE2 3.33Å; Y78-V134 HydrophobicContact CD1-CG2 4.28Å; Y78-V134 HydrophobicContact CD2-CG1 3.95Å; Y78-V134 HydrophobicContact CE1-CG1 4.37Å; Y78-V134 HydrophobicContact CE1-CG2 3.61Å; Y78-V134 HydrophobicContact CE2-CB 4.48Å; Y78-V134 HydrophobicContact CE2-CG1 3.45Å; Y78-V134 VanDerWaalsContact CE2-CG1 3.45Å; Y78-V134 HydrophobicContact CE2-CG2 4.21Å; Y78-L135 PolarHBondContact O-N 3.5Å; Y78-L135 VanDerWaalsContact O-N 3.12Å |
| 79 | L | 89.4 | Confident | 85.5 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 8% | 0.084 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 136.1 | 174.6 | -68.1 | 80.2 | 0 | 0 | 0 | 108.6 | F81 Y110 V119 L121 L135 V137 L160 | L79-F81 HydrophobicContact CB-CE2 3.87Å; L79-F81 HydrophobicContact CB-CZ 3.9Å; L79-F81 HydrophobicContact CD2-CE1 4.39Å; L79-F81 HydrophobicContact CD2-CZ 3.78Å; L79-F81 HydrophobicContact CG-CZ 4.49Å; L79-Y110 WeakPolarHBondContact O-CE1 3.34Å; L79-V119 HydrophobicContact CD1-CG1 4.48Å; L79-L121 HydrophobicContact CD1-CD2 3.35Å; L79-L135 WeakPolarHBondContact CA-O 3.48Å; L79-L135 HydrophobicContact CG-CB 4.18Å; L79-L135 HydrophobicContact CG-CD1 4.36Å; L79-V137 HydrophobicContact CD2-CG2 4.45Å; L79-L160 HydrophobicContact CD2-CD2 4.43Å |
| 80 | E | 90.8 | Very high | 85 | Confident | 59 Ų | 59 | 59.4 Ų | 59.4 | 28% | 0.276 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 128 | 167.4 | -63.4 | -158.6 | 78.8 | 0 | 0 | 109.2 | Y78 Y110 V134 L135 Y136 V137 | Y78-E80 HydrophobicContact CD2-CG 3.75Å; Y78-E80 HydrophobicContact CE2-CG 3.52Å; Y78-E80 WeakPolarHBondContact CE2-OE2 3.33Å; E80-Y110 WeakPolarHBondContact CA-OH 3.34Å; E80-V134 HydrophobicContact CG-CG1 4.34Å; E80-L135 PolarHBondContact N-O 2.89Å; E80-Y136 HydrophobicContact CB-CD1 3.79Å; E80-Y136 HydrophobicContact CB-CE1 3.84Å; E80-Y136 HydrophobicContact CG-CD1 4.42Å; E80-Y136 HydrophobicContact CG-CE1 4Å; E80-Y136 WeakPolarHBondContact OE2-CE1 3.18Å; E80-Y136 PolarHBondContact OE2-OH 3.5Å; E80-V137 PolarHBondContact O-N 3.31Å |
| 81 | F | 92.8 | Very high | 84.7 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 4% | 0.044 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 125.2 | 177.8 | -61.1 | -80.7 | 0 | 0 | 0 | 109.4 | L79 L109 Y110 F113 V137 I156 | L79-F81 HydrophobicContact CB-CE2 3.87Å; L79-F81 HydrophobicContact CB-CZ 3.9Å; L79-F81 HydrophobicContact CD2-CE1 4.39Å; L79-F81 HydrophobicContact CD2-CZ 3.78Å; L79-F81 HydrophobicContact CG-CZ 4.49Å; F81-L109 HydrophobicContact CB-CB 4.31Å; F81-L109 HydrophobicContact CB-CD1 4.28Å; F81-L109 HydrophobicContact CD1-CB 4.22Å; F81-L109 HydrophobicContact CD1-CD1 4.2Å; F81-L109 HydrophobicContact CD2-CB 4.15Å; F81-L109 HydrophobicContact CG-CB 3.95Å; F81-L109 HydrophobicContact CG-CD1 4.36Å; F81-Y110 HydrophobicContact CB-CE2 4.31Å; F81-Y110 AromaticContact CD2-CD1 3.91Å; F81-Y110 HydrophobicContact CD2-CD1 3.91Å; F81-Y110 AromaticContact CD2-CE1 3.92Å; F81-Y110 HydrophobicContact CD2-CE1 3.92Å; F81-Y110 HydrophobicContact CD2-CG 4.25Å; F81-Y110 HydrophobicContact CE2-CD1 4.44Å; F81-Y110 PolarHBondContact N-OH 3.32Å; F81-F113 AromaticContact CE1-CD2 3.86Å; F81-F113 HydrophobicContact CE1-CD2 3.86Å; F81-F113 AromaticContact CE1-CE2 3.99Å; F81-F113 HydrophobicContact CE1-CE2 3.99Å; F81-F113 HydrophobicContact CE1-CG 4.42Å; F81-F113 HydrophobicContact CE2-CB 3.8Å; F81-F113 AromaticContact CE2-CD2 3.82Å; F81-F113 HydrophobicContact CE2-CD2 3.82Å; F81-F113 AromaticContact CE2-CG 3.99Å; F81-F113 HydrophobicContact CE2-CG 3.99Å; F81-F113 HydrophobicContact CZ-CB 3.8Å; F81-F113 HydrophobicContact CZ-CD1 4.18Å; F81-F113 AromaticContact CZ-CD2 3.26Å; F81-F113 HydrophobicContact CZ-CD2 3.26Å; F81-F113 AromaticContact CZ-CE2 3.84Å; F81-F113 HydrophobicContact CZ-CE2 3.84Å; F81-F113 AromaticContact CZ-CG 3.49Å; F81-F113 HydrophobicContact CZ-CG 3.49Å; F81-F113 VanDerWaalsContact CZ-CG 3.49Å; F81-F113 HydrophobicContact CZ-CZ 4.49Å; F81-V137 WeakPolarHBondContact CA-O 3.4Å; F81-V137 HydrophobicContact CD1-CB 3.66Å; F81-V137 HydrophobicContact CD1-CG1 3.89Å; F81-V137 HydrophobicContact CD1-CG2 4.14Å; F81-V137 HydrophobicContact CE1-CB 3.9Å; F81-V137 HydrophobicContact CE1-CG1 4.06Å; F81-V137 HydrophobicContact CE1-CG2 3.88Å; F81-I156 HydrophobicContact CD1-CD1 4.24Å; F81-I156 HydrophobicContact CE1-CD1 4.21Å; F81-I156 HydrophobicContact CE1-CG2 4.29Å |
| 82 | F | 92.5 | Very high | 84.5 | Confident | 121 Ų | 121 | 57 Ų | 57 | 53% | 0.531 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 135.9 | 169 | -172.5 | -106 | 0 | 0 | 0 | 108.9 | D84 V137 D138 V139 | F82-D84 HydrophobicContact CD1-CB 4.46Å; F82-D84 HydrophobicContact CE1-CB 3.91Å; F82-V137 PolarHBondContact N-O 2.87Å; F82-D138 WeakPolarHBondContact CB-OD1 3.48Å; F82-V139 PolarHBondContact O-N 2.88Å |
| 83 | V | 91.8 | Very high | 84.3 | Confident | 9 Ų | 9 | 49.1 Ų | 49.1 | 6% | 0.055 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 108.9 | -179.1 | -178.1 | 0 | 0 | 0 | 0 | 107.7 | L105 S106 L109 V139 | V83-L105 HydrophobicContact CB-CB 4.37Å; V83-L105 HydrophobicContact CG1-CB 4.13Å; V83-L105 HydrophobicContact CG1-CD1 3.8Å; V83-L105 HydrophobicContact CG2-CB 4.03Å; V83-S106 WeakPolarHBondContact CG2-OG 3.34Å; V83-L109 HydrophobicContact CG2-CD1 3.98Å; V83-V139 CarbonylContact C-O 3.56Å; V83-V139 WeakPolarHBondContact CA-O 3.23Å; V83-V139 HydrophobicContact CB-CB 4.45Å; V83-V139 HydrophobicContact CG1-CB 4.35Å; V83-V139 HydrophobicContact CG1-CG1 4.39Å; V83-V139 HydrophobicContact CG2-CB 4.08Å; V83-V139 HydrophobicContact CG2-CG2 4.27Å |
| 84 | D | 90.3 | Very high | 84 | Confident | 81 Ų | 81 | 53 Ų | 53 | 43% | 0.433 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123.6 | 175.1 | -166 | 12.8 | 0 | 0 | 0 | 110.5 | F82 V139 L140 L141 | F82-D84 HydrophobicContact CD1-CB 4.46Å; F82-D84 HydrophobicContact CE1-CB 3.91Å; D84-V139 PolarHBondContact N-O 3.46Å; D84-L140 HydrophobicContact CB-CD1 4.03Å; D84-L141 PolarHBondContact O-N 2.9Å |
| 85 | C | 86.3 | Confident | 83.9 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 95.8 | 177.4 | -64 | 0 | 0 | 0 | 0 | 108.2 | F93 | C85-F93 HydrophobicContact CB-CB 4.47Å; C85-F93 HydrophobicContact CB-CD2 4.33Å; C85-F93 HydrophobicContact CB-CG 4.23Å |
| 86 | S | 85.4 | Confident | 83.8 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | trans | -63.1 | 142.7 | -179.6 | -168.1 | 0 | 0 | 0 | 0 | 111.5 | N88 A89 L141 | S86-N88 PolarHBondContact O-N 3.41Å; S86-N88 VanDerWaalsContact O-N 3.12Å; S86-N88 PolarHBondContact OG-N 2.99Å; S86-A89 WeakPolarHBondContact O-CB 3.44Å; S86-A89 PolarHBondContact O-N 3.19Å; S86-L141 WeakPolarHBondContact CB-O 3.46Å; S86-L141 PolarHBondContact N-O 3.03Å | ||
| 87 | A | 82 | Confident | 83.4 | Confident | 42 Ų | 42 | 61.9 Ų | 61.9 | 35% | 0.347 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -20.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A89 T90 E94 | A87-A89 VanDerWaalsContact C-N 3.27Å; A87-A89 PolarHBondContact O-N 2.85Å; A87-T90 CarbonylContact O-C 3.58Å; A87-T90 VanDerWaalsContact O-C 3.29Å; A87-T90 PolarHBondContact O-N 2.82Å; A87-E94 HydrophobicContact CB-CG 3.75Å |
| 88 | N | 80.8 | Confident | 83.2 | Confident | 132 Ų | 132 | 62.1 Ų | 62.1 | 71% | 0.706 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -32.6 | 174 | -68.8 | -20 | 0 | 0 | 0 | 112.7 | S86 L142 | S86-N88 PolarHBondContact O-N 3.41Å; S86-N88 VanDerWaalsContact O-N 3.12Å; S86-N88 PolarHBondContact OG-N 2.99Å; N88-L142 CarbonylContact C-O 3.59Å |
| 89 | A | 76.3 | Confident | 83.1 | Confident | 14 Ų | 14 | 65.7 Ų | 65.7 | 12% | 0.116 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -38.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | S86 A87 F93 L142 C144 | S86-A89 WeakPolarHBondContact O-CB 3.44Å; S86-A89 PolarHBondContact O-N 3.19Å; A87-A89 VanDerWaalsContact C-N 3.27Å; A87-A89 PolarHBondContact O-N 2.85Å; A89-F93 HydrophobicContact CB-CD2 4.11Å; A89-F93 HydrophobicContact CB-CE2 4.12Å; A89-L142 WeakPolarHBondContact CA-O 3.18Å; A89-L142 WeakPolarHBondContact CB-O 3.23Å; A89-L142 PolarHBondContact N-O 2.93Å; A89-C144 HydrophobicContact CB-CB 4.2Å |
| 90 | T | 76.7 | Confident | 83 | Confident | 17 Ų | 17 | 72.4 Ų | 72.4 | 10% | 0.104 | 40% | 0.397 | C | S | . | . | trans | -159.9 | 134.7 | 175.7 | -53.3 | 0 | 0 | 0 | 0 | 108.2 | A2 A87 E92 F93 | A2-T90 HydrophobicContact CB-CG2 3.69Å; A87-T90 CarbonylContact O-C 3.58Å; A87-T90 VanDerWaalsContact O-C 3.29Å; A87-T90 PolarHBondContact O-N 2.82Å; T90-E92 HydrophobicContact CG2-CB 3.92Å; T90-E92 HydrophobicContact CG2-CG 4.25Å; T90-E92 PolarHBondContact O-N 3.35Å; T90-E92 VanDerWaalsContact O-N 3.08Å; T90-F93 WeakPolarHBondContact O-CB 3.45Å; T90-F93 PolarHBondContact O-N 3.17Å; T90-F93 WeakPolarHBondContact OG1-CE2 3.45Å | ||
| 91 | P | 78.1 | Confident | 82.7 | Confident | 98 Ų | 98 | 70.8 Ų | 70.8 | 64% | 0.636 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -60.7 | -22.3 | 178.3 | 25 | -35.4 | 0 | 0 | 0 | 113.1 | F93 E94 | P91-F93 PolarHBondContact O-N 2.99Å; P91-E94 WeakPolarHBondContact O-CB 3.29Å; P91-E94 WeakPolarHBondContact O-CG 3.44Å; P91-E94 PolarHBondContact O-N 2.94Å; P91-E94 VanDerWaalsContact O-N 3.14Å |
| 92 | E | 75 | Confident | 82.5 | Confident | 104 Ų | 104 | 70.5 Ų | 70.5 | 49% | 0.486 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -67.6 | -13.2 | 174.5 | -68.4 | 177 | 77.8 | 0 | 0 | 114 | A2 T90 E94 | A2-E92 WeakPolarHBondContact CA-OE2 3.46Å; A2-E92 WeakPolarHBondContact CB-OE2 3.27Å; T90-E92 HydrophobicContact CG2-CB 3.92Å; T90-E92 HydrophobicContact CG2-CG 4.25Å; T90-E92 PolarHBondContact O-N 3.35Å; T90-E92 VanDerWaalsContact O-N 3.08Å; E92-E94 VanDerWaalsContact C-N 3.27Å |
| 93 | F | 77.1 | Confident | 82.4 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 6% | 0.061 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -83.6 | -2.3 | 173.2 | -59.4 | -36.8 | 0 | 0 | 0 | 113.3 | C85 A89 T90 P91 G95 L101 | C85-F93 HydrophobicContact CB-CB 4.47Å; C85-F93 HydrophobicContact CB-CD2 4.33Å; C85-F93 HydrophobicContact CB-CG 4.23Å; A89-F93 HydrophobicContact CB-CD2 4.11Å; A89-F93 HydrophobicContact CB-CE2 4.12Å; T90-F93 WeakPolarHBondContact O-CB 3.45Å; T90-F93 PolarHBondContact O-N 3.17Å; T90-F93 WeakPolarHBondContact OG1-CE2 3.45Å; P91-F93 PolarHBondContact O-N 2.99Å; F93-G95 PolarHBondContact O-N 3.01Å; F93-L101 HydrophobicContact CE1-CD1 3.46Å; F93-L101 VanDerWaalsContact CE1-CD1 3.46Å; F93-L101 HydrophobicContact CZ-CD1 3.81Å |
| 94 | E | 76 | Confident | 82.3 | Confident | 140 Ų | 140 | 72.6 Ų | 72.6 | 65% | 0.654 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 136.6 | 174.5 | -75.6 | -175 | 176.1 | 0 | 0 | 112.3 | A87 P91 E92 R96 | A87-E94 HydrophobicContact CB-CG 3.75Å; P91-E94 WeakPolarHBondContact O-CB 3.29Å; P91-E94 WeakPolarHBondContact O-CG 3.44Å; P91-E94 PolarHBondContact O-N 2.94Å; P91-E94 VanDerWaalsContact O-N 3.14Å; E92-E94 VanDerWaalsContact C-N 3.27Å; E94-R96 PolarHBondContact O-N 3.12Å |
| 95 | G | 80.4 | Confident | 82.3 | Confident | 85 Ų | 85 | 69 Ų | 69 | 88% | 0.876 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | -108.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | F93 | F93-G95 PolarHBondContact O-N 3.01Š|
| 96 | R | 80.4 | Confident | 82.5 | Confident | 231 Ų | 231 | 69.1 Ų | 69.1 | 87% | 0.872 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 3.1 | -175.8 | -67.3 | -172.8 | 177.4 | -176.2 | -1.5 | 113.7 | E94 G98 D99 | E94-R96 PolarHBondContact O-N 3.12Å; R96-G98 VanDerWaalsContact C-N 3.28Å; R96-G98 PolarHBondContact O-N 2.87Å; R96-D99 PolarHBondContact O-N 3.18Å |
| 97 | G | 77.2 | Confident | 82.8 | Confident | 43 Ų | 43 | 71.3 Ų | 71.3 | 44% | 0.443 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -27 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 98 | G | 80.4 | Confident | 83.2 | Confident | 7 Ų | 7 | 69.4 Ų | 69.4 | 7% | 0.072 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -14.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | R96 E100 L101 G102 | R96-G98 VanDerWaalsContact C-N 3.28Å; R96-G98 PolarHBondContact O-N 2.87Å; G98-E100 PolarHBondContact O-N 3.16Å; G98-L101 PolarHBondContact O-N 3.15Å; G98-G102 PolarHBondContact O-N 3.35Å |
| 99 | D | 85.6 | Confident | 83.6 | Confident | 120 Ų | 120 | 63.4 Ų | 63.4 | 64% | 0.642 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -64.9 | -40 | -169.6 | -167.9 | -107.6 | 0 | 0 | 0 | 112.5 | R96 L101 G102 M103 | R96-D99 PolarHBondContact O-N 3.18Å; D99-L101 PolarHBondContact O-N 3.19Å; D99-G102 PolarHBondContact O-N 3.49Å; D99-M103 WeakPolarHBondContact O-CB 3.43Å; D99-M103 PolarHBondContact O-N 2.71Å |
| 100 | E | 86.9 | Confident | 84.2 | Confident | 158 Ų | 158 | 66.2 Ų | 66.2 | 74% | 0.738 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 177.8 | -173.8 | 179.4 | 88.2 | 0 | 0 | 112 | G98 M103 E104 | G98-E100 PolarHBondContact O-N 3.16Å; E100-M103 PolarHBondContact O-N 2.56Å; E100-E104 PolarHBondContact O-N 3.44Å |
| 101 | L | 85.6 | Confident | 84.7 | Confident | 24 Ų | 24 | 71.1 Ų | 71.1 | 13% | 0.126 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -70.8 | -43.1 | 177.5 | -69.4 | 179.3 | 0 | 0 | 0 | 111.3 | M1 F93 G98 D99 M103 E104 L105 | M1-L101 HydrophobicContact CE-CD2 3.91Å; M1-L101 HydrophobicContact CG-CD1 4.43Å; M1-L101 HydrophobicContact CG-CD2 4.22Å; F93-L101 HydrophobicContact CE1-CD1 3.46Å; F93-L101 VanDerWaalsContact CE1-CD1 3.46Å; F93-L101 HydrophobicContact CZ-CD1 3.81Å; G98-L101 PolarHBondContact O-N 3.15Å; D99-L101 PolarHBondContact O-N 3.19Å; L101-M103 VanDerWaalsContact C-N 3.29Å; L101-M103 PolarHBondContact O-N 3.34Å; L101-E104 PolarHBondContact O-N 3.14Å; L101-L105 WeakPolarHBondContact O-CB 3.23Å; L101-L105 VanDerWaalsContact O-CG 3.24Å; L101-L105 WeakPolarHBondContact O-CG 3.33Å; L101-L105 PolarHBondContact O-N 2.95Å |
| 102 | G | 88.1 | Confident | 85.1 | Confident | 5 Ų | 5 | 66.6 Ų | 66.6 | 5% | 0.052 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.7 | -46.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | G98 D99 E104 L105 S106 | G98-G102 PolarHBondContact O-N 3.35Å; D99-G102 PolarHBondContact O-N 3.49Å; G102-E104 PolarHBondContact O-N 2.87Å; G102-L105 PolarHBondContact O-N 2.91Å; G102-S106 WeakPolarHBondContact O-CB 3.49Å; G102-S106 PolarHBondContact O-N 3.44Å; G102-S106 PolarHBondContact O-OG 2.68Å |
| 103 | M | 89.5 | Confident | 85.5 | Confident | 120 Ų | 120 | 62.3 Ų | 62.3 | 59% | 0.591 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.6 | -39.7 | 177.4 | -164.8 | -175.9 | -168.4 | 0 | 0 | 112.7 | D99 E100 L101 N107 | D99-M103 WeakPolarHBondContact O-CB 3.43Å; D99-M103 PolarHBondContact O-N 2.71Å; E100-M103 PolarHBondContact O-N 2.56Å; L101-M103 VanDerWaalsContact C-N 3.29Å; L101-M103 PolarHBondContact O-N 3.34Å; M103-N107 VanDerWaalsContact O-CB 3.25Å; M103-N107 WeakPolarHBondContact O-CB 3.41Å; M103-N107 PolarHBondContact O-N 3.36Å; M103-N107 PolarHBondContact O-ND2 3.33Å |
| 104 | E | 89.6 | Confident | 85.6 | Confident | 54 Ų | 54 | 68.5 Ų | 68.5 | 25% | 0.252 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 174.6 | -178.2 | 177 | 80.4 | 0 | 0 | 111.9 | E100 L101 G102 T108 R240 | E100-E104 PolarHBondContact O-N 3.44Å; L101-E104 PolarHBondContact O-N 3.14Å; G102-E104 PolarHBondContact O-N 2.87Å; E104-T108 WeakPolarHBondContact O-CB 3.34Å; E104-T108 PolarHBondContact O-N 3.33Å; E104-T108 PolarHBondContact O-OG1 3.48Å; E104-R240 IonicContact OE2-NH2 3.94Å |
| 105 | L | 90.7 | Very high | 85.5 | Confident | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.2 | -53 | 178.6 | -71.6 | 167.4 | 0 | 0 | 0 | 110.2 | V83 L101 G102 N107 T108 L109 L141 F149 I152 | V83-L105 HydrophobicContact CB-CB 4.37Å; V83-L105 HydrophobicContact CG1-CB 4.13Å; V83-L105 HydrophobicContact CG1-CD1 3.8Å; V83-L105 HydrophobicContact CG2-CB 4.03Å; L101-L105 WeakPolarHBondContact O-CB 3.23Å; L101-L105 VanDerWaalsContact O-CG 3.24Å; L101-L105 WeakPolarHBondContact O-CG 3.33Å; L101-L105 PolarHBondContact O-N 2.95Å; G102-L105 PolarHBondContact O-N 2.91Å; L105-N107 VanDerWaalsContact C-N 3.34Å; L105-N107 PolarHBondContact O-N 2.84Å; L105-T108 WeakPolarHBondContact O-CA 3.26Å; L105-T108 WeakPolarHBondContact O-CB 3.5Å; L105-T108 PolarHBondContact O-N 3.17Å; L105-L109 WeakPolarHBondContact O-CG 3.26Å; L105-L109 PolarHBondContact O-N 3.02Å; L105-L141 HydrophobicContact CD1-CD1 4.13Å; L105-F149 HydrophobicContact CD2-CD1 3.55Å; L105-F149 HydrophobicContact CD2-CD2 4.49Å; L105-F149 HydrophobicContact CD2-CE1 3.34Å; L105-F149 HydrophobicContact CD2-CE2 4.29Å; L105-F149 HydrophobicContact CD2-CG 4.14Å; L105-F149 HydrophobicContact CD2-CZ 3.73Å; L105-F149 HydrophobicContact CG-CE1 4.4Å; L105-I152 HydrophobicContact CD1-CD1 4.04Å; L105-I152 HydrophobicContact CD2-CD1 3.81Å; L105-I152 HydrophobicContact CG-CD1 4.46Å |
| 106 | S | 91.5 | Very high | 84.8 | Confident | 13 Ų | 13 | 68.3 Ų | 68.3 | 9% | 0.091 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -55.3 | -47.9 | 176.8 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | V83 G102 T108 L109 Y110 | V83-S106 WeakPolarHBondContact CG2-OG 3.34Å; G102-S106 WeakPolarHBondContact O-CB 3.49Å; G102-S106 PolarHBondContact O-N 3.44Å; G102-S106 PolarHBondContact O-OG 2.68Å; S106-T108 PolarHBondContact O-N 3.31Å; S106-L109 PolarHBondContact O-N 2.76Å; S106-Y110 WeakPolarHBondContact O-CD2 3.4Å; S106-Y110 PolarHBondContact O-N 3.01Å |
| 107 | N | 90.5 | Very high | 84.3 | Confident | 71 Ų | 71 | 66 Ų | 66 | 38% | 0.38 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -33.7 | 177.8 | -79.3 | -33.8 | 0 | 0 | 0 | 113.1 | M103 L105 K111 | M103-N107 VanDerWaalsContact O-CB 3.25Å; M103-N107 WeakPolarHBondContact O-CB 3.41Å; M103-N107 PolarHBondContact O-N 3.36Å; M103-N107 PolarHBondContact O-ND2 3.33Å; L105-N107 VanDerWaalsContact C-N 3.34Å; L105-N107 PolarHBondContact O-N 2.84Å; N107-K111 WeakPolarHBondContact O-CG 3.29Å; N107-K111 PolarHBondContact O-N 3.29Å |
| 108 | T | 89.9 | Confident | 84 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.012 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.3 | -43.4 | 176.7 | -56.3 | 0 | 0 | 0 | 0 | 110.6 | E104 L105 S106 K111 V112 F149 R240 | E104-T108 WeakPolarHBondContact O-CB 3.34Å; E104-T108 PolarHBondContact O-N 3.33Å; E104-T108 PolarHBondContact O-OG1 3.48Å; L105-T108 WeakPolarHBondContact O-CA 3.26Å; L105-T108 WeakPolarHBondContact O-CB 3.5Å; L105-T108 PolarHBondContact O-N 3.17Å; S106-T108 PolarHBondContact O-N 3.31Å; T108-K111 PolarHBondContact O-N 3.34Å; T108-V112 VanDerWaalsContact O-CG2 3.28Å; T108-V112 WeakPolarHBondContact O-CG2 3.44Å; T108-V112 PolarHBondContact O-N 2.87Å; T108-F149 HydrophobicContact CG2-CD1 4.27Å; T108-F149 HydrophobicContact CG2-CE1 4.16Å; T108-R240 PolarHBondContact OG1-NH1 2.91Å |
| 109 | L | 89.7 | Confident | 83.9 | Confident | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.8 | -47.6 | 174.5 | -65.6 | 171.7 | 0 | 0 | 0 | 111.4 | F81 V83 L105 S106 K111 V112 F113 I152 I156 I200 | F81-L109 HydrophobicContact CB-CB 4.31Å; F81-L109 HydrophobicContact CB-CD1 4.28Å; F81-L109 HydrophobicContact CD1-CB 4.22Å; F81-L109 HydrophobicContact CD1-CD1 4.2Å; F81-L109 HydrophobicContact CD2-CB 4.15Å; F81-L109 HydrophobicContact CG-CB 3.95Å; F81-L109 HydrophobicContact CG-CD1 4.36Å; V83-L109 HydrophobicContact CG2-CD1 3.98Å; L105-L109 WeakPolarHBondContact O-CG 3.26Å; L105-L109 PolarHBondContact O-N 3.02Å; S106-L109 PolarHBondContact O-N 2.76Å; L109-K111 VanDerWaalsContact C-N 3.28Å; L109-K111 PolarHBondContact O-N 3.49Å; L109-V112 PolarHBondContact O-N 3.28Å; L109-F113 HydrophobicContact CB-CD2 4.47Å; L109-F113 HydrophobicContact CD2-CE2 4.21Å; L109-F113 VanDerWaalsContact O-CD2 3.29Å; L109-F113 WeakPolarHBondContact O-CD2 3.39Å; L109-F113 PolarHBondContact O-N 3.14Å; L109-I152 HydrophobicContact CD1-CG2 4.03Å; L109-I152 HydrophobicContact CD2-CG2 4.14Å; L109-I156 HydrophobicContact CD1-CD1 3.76Å; L109-I156 HydrophobicContact CD2-CD1 3.61Å; L109-I156 HydrophobicContact CG-CD1 4.29Å; L109-I200 HydrophobicContact CD2-CD1 4.19Å |
| 110 | Y | 89.1 | Confident | 83.7 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 29% | 0.286 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -53.3 | -45.3 | 174.3 | -81.4 | -65 | 0 | 0 | 0 | 111.9 | L79 E80 F81 S106 V112 F113 N114 | L79-Y110 WeakPolarHBondContact O-CE1 3.34Å; E80-Y110 WeakPolarHBondContact CA-OH 3.34Å; F81-Y110 HydrophobicContact CB-CE2 4.31Å; F81-Y110 AromaticContact CD2-CD1 3.91Å; F81-Y110 HydrophobicContact CD2-CD1 3.91Å; F81-Y110 AromaticContact CD2-CE1 3.92Å; F81-Y110 HydrophobicContact CD2-CE1 3.92Å; F81-Y110 HydrophobicContact CD2-CG 4.25Å; F81-Y110 HydrophobicContact CE2-CD1 4.44Å; F81-Y110 PolarHBondContact N-OH 3.32Å; S106-Y110 WeakPolarHBondContact O-CD2 3.4Å; S106-Y110 PolarHBondContact O-N 3.01Å; Y110-V112 VanDerWaalsContact C-N 3.33Å; Y110-V112 PolarHBondContact O-N 3.07Å; Y110-F113 PolarHBondContact O-N 3.15Å; Y110-N114 WeakPolarHBondContact O-CB 3.37Å; Y110-N114 PolarHBondContact O-N 2.88Å |
| 111 | K | 87.2 | Confident | 83.4 | Confident | 121 Ų | 121 | 56.6 Ų | 56.6 | 53% | 0.526 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.5 | -35.5 | 177.9 | -72.9 | 174.6 | -176.8 | 179.5 | 0 | 113.3 | N107 T108 L109 | N107-K111 WeakPolarHBondContact O-CG 3.29Å; N107-K111 PolarHBondContact O-N 3.29Å; T108-K111 PolarHBondContact O-N 3.34Å; L109-K111 VanDerWaalsContact C-N 3.28Å; L109-K111 PolarHBondContact O-N 3.49Å |
| 112 | V | 86.4 | Confident | 83.3 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.012 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.6 | -39.2 | -179.9 | 171 | 0 | 0 | 0 | 0 | 111.3 | T108 L109 Y110 P198 I200 C238 | T108-V112 VanDerWaalsContact O-CG2 3.28Å; T108-V112 WeakPolarHBondContact O-CG2 3.44Å; T108-V112 PolarHBondContact O-N 2.87Å; L109-V112 PolarHBondContact O-N 3.28Å; Y110-V112 VanDerWaalsContact C-N 3.33Å; Y110-V112 PolarHBondContact O-N 3.07Å; V112-P198 HydrophobicContact CG1-CB 4.24Å; V112-P198 HydrophobicContact CG1-CG 3.35Å; V112-I200 HydrophobicContact CG1-CG1 4.46Å; V112-I200 HydrophobicContact CG2-CD1 4.05Å; V112-I200 HydrophobicContact CG2-CG1 4.34Å; V112-C238 HydrophobicContact CG2-CB 4.13Å |
| 113 | F | 83.2 | Confident | 83 | Confident | 15 Ų | 15 | 63.3 Ų | 63.3 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -92.9 | -11.5 | -177.1 | -74 | -80 | 0 | 0 | 0 | 114.7 | F81 L109 Y110 N115 S118 V119 I156 L160 V197 | F81-F113 AromaticContact CE1-CD2 3.86Å; F81-F113 HydrophobicContact CE1-CD2 3.86Å; F81-F113 AromaticContact CE1-CE2 3.99Å; F81-F113 HydrophobicContact CE1-CE2 3.99Å; F81-F113 HydrophobicContact CE1-CG 4.42Å; F81-F113 HydrophobicContact CE2-CB 3.8Å; F81-F113 AromaticContact CE2-CD2 3.82Å; F81-F113 HydrophobicContact CE2-CD2 3.82Å; F81-F113 AromaticContact CE2-CG 3.99Å; F81-F113 HydrophobicContact CE2-CG 3.99Å; F81-F113 HydrophobicContact CZ-CB 3.8Å; F81-F113 HydrophobicContact CZ-CD1 4.18Å; F81-F113 AromaticContact CZ-CD2 3.26Å; F81-F113 HydrophobicContact CZ-CD2 3.26Å; F81-F113 AromaticContact CZ-CE2 3.84Å; F81-F113 HydrophobicContact CZ-CE2 3.84Å; F81-F113 AromaticContact CZ-CG 3.49Å; F81-F113 HydrophobicContact CZ-CG 3.49Å; F81-F113 VanDerWaalsContact CZ-CG 3.49Å; F81-F113 HydrophobicContact CZ-CZ 4.49Å; L109-F113 HydrophobicContact CB-CD2 4.47Å; L109-F113 HydrophobicContact CD2-CE2 4.21Å; L109-F113 VanDerWaalsContact O-CD2 3.29Å; L109-F113 WeakPolarHBondContact O-CD2 3.39Å; L109-F113 PolarHBondContact O-N 3.14Å; Y110-F113 PolarHBondContact O-N 3.15Å; F113-N115 PolarHBondContact O-N 2.84Å; F113-S118 PolarHBondContact O-OG 3.2Å; F113-V119 HydrophobicContact CD1-CG2 4.34Å; F113-I156 HydrophobicContact CE1-CG2 4.39Å; F113-I156 HydrophobicContact CE2-CD1 4.41Å; F113-I156 HydrophobicContact CE2-CG2 4.08Å; F113-I156 HydrophobicContact CZ-CG2 3.6Å; F113-L160 HydrophobicContact CE1-CD1 4.17Å; F113-V197 HydrophobicContact CE1-CG1 3.8Å; F113-V197 HydrophobicContact CZ-CG1 4.06Å |
| 114 | N | 79.3 | Confident | 82.7 | Confident | 143 Ų | 143 | 57.7 Ų | 57.7 | 77% | 0.765 | 27% | 0.268 | S | S | * | . | trans | -71.5 | 23.4 | 174.6 | -170.6 | 56.4 | 0 | 0 | 0 | 113.6 | Y110 | Y110-N114 WeakPolarHBondContact O-CB 3.37Å; Y110-N114 PolarHBondContact O-N 2.88Å | ||
| 115 | N | 75 | Confident | 82.4 | Confident | 52 Ų | 52 | 56.6 Ų | 56.6 | 28% | 0.278 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -102.7 | 129.5 | 174.5 | -166.6 | -8.2 | 0 | 0 | 0 | 109.3 | F113 Y117 S118 T237 | F113-N115 PolarHBondContact O-N 2.84Å; N115-Y117 PolarHBondContact O-N 2.9Å; N115-Y117 VanDerWaalsContact OD1-CD2 3.31Å; N115-Y117 WeakPolarHBondContact OD1-CD2 3.16Å; N115-S118 PolarHBondContact O-N 2.93Å; N115-S118 VanDerWaalsContact O-N 3.17Å; N115-S118 PolarHBondContact O-OG 3.06Å; N115-T237 HydrophobicContact CB-CG2 3.86Å |
| 116 | R | 65.9 | Low | 82 | Confident | 170 Ų | 170 | 57.5 Ų | 57.5 | 64% | 0.642 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.8 | -178.6 | -65.8 | -171.9 | -171.9 | -122.1 | 9.3 | 113.9 | E76 | E76-R116 IonicContact OE1-NH1 3.53Å; E76-R116 PolarHBondContact OE1-NH1 3.04Å; E76-R116 IonicContact OE2-NH1 3.84Å |
| 117 | Y | 68.1 | Low | 81.5 | Confident | 183 Ų | 183 | 57.2 Ų | 57.2 | 72% | 0.718 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -12.5 | -177 | -58 | -70.7 | 0 | 0 | 0 | 114.2 | N115 N196 | N115-Y117 PolarHBondContact O-N 2.9Å; N115-Y117 VanDerWaalsContact OD1-CD2 3.31Å; N115-Y117 WeakPolarHBondContact OD1-CD2 3.16Å; Y117-N196 WeakPolarHBondContact O-CB 3.2Å; Y117-N196 PolarHBondContact O-ND2 3.33Å |
| 118 | S | 72.6 | Confident | 81.1 | Confident | 5 Ų | 5 | 58 Ų | 58 | 4% | 0.035 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -39.5 | -174.6 | 36.3 | 0 | 0 | 0 | 0 | 113.4 | F113 N115 | F113-S118 PolarHBondContact O-OG 3.2Å; N115-S118 PolarHBondContact O-N 2.93Å; N115-S118 VanDerWaalsContact O-N 3.17Å; N115-S118 PolarHBondContact O-OG 3.06Å |
| 119 | V | 78.5 | Confident | 80.6 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -137.8 | 136.9 | 179.4 | -178 | 0 | 0 | 0 | 0 | 107.9 | L79 F113 L121 L192 V197 | L79-V119 HydrophobicContact CD1-CG1 4.48Å; F113-V119 HydrophobicContact CD1-CG2 4.34Å; V119-L121 HydrophobicContact CB-CD2 4.27Å; V119-L121 HydrophobicContact CG1-CD2 4.14Å; V119-L121 PolarHBondContact O-N 3.24Å; V119-L192 HydrophobicContact CG1-CD2 4.3Å; V119-V197 HydrophobicContact CG2-CG2 4.23Å |
| 120 | D | 80.3 | Confident | 80.3 | Confident | 84 Ų | 84 | 63.4 Ų | 63.4 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | trans | -74.2 | 94.3 | 174.2 | -163 | -80.1 | 0 | 0 | 0 | 109.5 | K122 S123 | D120-K122 VanDerWaalsContact C-N 3.27Å; D120-K122 PolarHBondContact OD1-N 3.03Å; D120-S123 PolarHBondContact O-OG 2.98Å; D120-S123 VanDerWaalsContact O-OG 3.08Å; D120-S123 VanDerWaalsContact OD1-CB 3.29Å; D120-S123 WeakPolarHBondContact OD1-CB 3.45Å; D120-S123 PolarHBondContact OD1-N 2.82Å | ||
| 121 | L | 81.6 | Confident | 80 | Confident | 32 Ų | 32 | 62.2 Ų | 62.2 | 17% | 0.168 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -78.1 | -15.2 | -179.6 | -58.9 | 177.9 | 0 | 0 | 0 | 112.7 | E76 G77 L79 V119 L124 | E76-L121 HydrophobicContact CB-CB 3.94Å; E76-L121 HydrophobicContact CG-CB 4.26Å; G77-L121 PolarHBondContact N-O 2.93Å; L79-L121 HydrophobicContact CD1-CD2 3.35Å; V119-L121 HydrophobicContact CB-CD2 4.27Å; V119-L121 HydrophobicContact CG1-CD2 4.14Å; V119-L121 PolarHBondContact O-N 3.24Å; L121-L124 HydrophobicContact CD2-CD1 4.09Å; L121-L124 WeakPolarHBondContact O-CB 3.3Å; L121-L124 PolarHBondContact O-N 2.91Å |
| 122 | K | 82.5 | Confident | 80.1 | Confident | 134 Ų | 134 | 56.5 Ų | 56.5 | 58% | 0.583 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -74.9 | -37.1 | 179.6 | -66.5 | -175.8 | 178.2 | -174.4 | 0 | 110.9 | E76 D120 L124 C125 | E76-K122 HydrophobicContact CG-CG 3.99Å; D120-K122 VanDerWaalsContact C-N 3.27Å; D120-K122 PolarHBondContact OD1-N 3.03Å; K122-L124 PolarHBondContact O-N 2.85Å; K122-C125 WeakPolarHBondContact O-CB 3.38Å; K122-C125 PolarHBondContact O-N 3.23Å |
| 123 | S | 81.7 | Confident | 80.2 | Confident | 37 Ų | 37 | 57.2 Ų | 57.2 | 26% | 0.259 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -17.3 | 174.6 | 79.1 | 0 | 0 | 0 | 0 | 113.6 | D120 M190 | D120-S123 PolarHBondContact O-OG 2.98Å; D120-S123 VanDerWaalsContact O-OG 3.08Å; D120-S123 VanDerWaalsContact OD1-CB 3.29Å; D120-S123 WeakPolarHBondContact OD1-CB 3.45Å; D120-S123 PolarHBondContact OD1-N 2.82Å; S123-M190 VanDerWaalsContact CB-CE 3.45Å |
| 124 | L | 82.7 | Confident | 80.5 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -9.3 | 175.3 | -67.9 | 174.6 | 0 | 0 | 0 | 112.8 | L121 K122 W133 L135 I165 L192 | L121-L124 HydrophobicContact CD2-CD1 4.09Å; L121-L124 WeakPolarHBondContact O-CB 3.3Å; L121-L124 PolarHBondContact O-N 2.91Å; K122-L124 PolarHBondContact O-N 2.85Å; L124-W133 HydrophobicContact CB-CB 4.02Å; L124-W133 HydrophobicContact CD2-CB 3.77Å; L124-W133 HydrophobicContact CD2-CG 4.34Å; L124-W133 HydrophobicContact CG-CB 4.45Å; L124-W133 WeakPolarHBondContact O-CB 3.45Å; L124-W133 PolarHBondContact O-N 3.17Å; L124-L135 HydrophobicContact CD1-CD1 3.87Å; L124-L135 HydrophobicContact CD1-CG 4.31Å; L124-L135 HydrophobicContact CD2-CD1 4.37Å; L124-I165 HydrophobicContact CD2-CD1 3.43Å; L124-I165 VanDerWaalsContact CD2-CD1 3.43Å; L124-L192 HydrophobicContact CD1-CD2 4.43Å; L124-L192 HydrophobicContact CD2-CD2 4.03Å; L124-L192 HydrophobicContact CG-CD2 4.26Å |
| 125 | C | 83.1 | Confident | 81.1 | Confident | 31 Ų | 31 | 49.8 Ų | 49.8 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 124.9 | 175.3 | -169.3 | 0 | 0 | 0 | 0 | 109.7 | D75 K122 | D75-C125 WeakPolarHBondContact O-CB 3.45Å; K122-C125 WeakPolarHBondContact O-CB 3.38Å; K122-C125 PolarHBondContact O-N 3.23Å |
| 126 | I | 82.4 | Confident | 82 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 13% | 0.133 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | -57.5 | 177.4 | -55.7 | 168.4 | 0 | 0 | 0 | 107.9 | M66 H131 W133 V168 I170 | M66-I126 HydrophobicContact CG-CD1 4.12Å; M66-I126 HydrophobicContact SD-CD1 4.16Å; I126-H131 HydrophobicContact CB-CB 4.17Å; I126-H131 WeakPolarHBondContact CB-O 3.3Å; I126-H131 HydrophobicContact CD1-CB 4.34Å; I126-H131 HydrophobicContact CG2-CB 4.49Å; I126-H131 PolarHBondContact N-O 3.12Å; I126-H131 VanDerWaalsContact N-O 3.12Å; I126-W133 HydrophobicContact CD1-CD2 4.28Å; I126-W133 HydrophobicContact CD1-CG 4.27Å; I126-W133 HydrophobicContact CG1-CG 4.47Å; I126-V168 HydrophobicContact CB-CG2 4.27Å; I126-V168 HydrophobicContact CD1-CG1 4.47Å; I126-V168 HydrophobicContact CD1-CG2 3.91Å; I126-V168 HydrophobicContact CG1-CG2 3.74Å; I126-V168 HydrophobicContact CG2-CG2 3.65Å; I126-I170 HydrophobicContact CG2-CD1 3.54Å; I126-I170 HydrophobicContact CG2-CG1 3.81Å; I126-I170 WeakPolarHBondContact O-CD1 3.2Å |
| 127 | S | 81.6 | Confident | 83.3 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.042 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 126.3 | 174 | 58.8 | 0 | 0 | 0 | 0 | 110.2 | G129 E130 H131 | S127-G129 PolarHBondContact O-N 2.87Å; S127-E130 PolarHBondContact O-N 3.17Å; S127-H131 PolarHBondContact N-O 2.8Å; S127-H131 PolarHBondContact O-N 3.49Å; S127-H131 VanDerWaalsContact O-N 3.15Å; S127-H131 PolarHBondContact OG-N 3.17Å; S127-H131 VanDerWaalsContact OG-N 3.16Å |
| 128 | P | 82.1 | Confident | 84.5 | Confident | 87 Ų | 87 | 37.1 Ų | 37.1 | 57% | 0.565 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 124.3 | -173.8 | 24.1 | -33.1 | 0 | 0 | 0 | 110.6 | P74 E130 | P74-P128 WeakPolarHBondContact O-CA 3.26Å; P128-E130 VanDerWaalsContact C-N 3.31Å; P128-E130 PolarHBondContact O-N 3.28Å |
| 129 | G | 79.5 | Confident | 85.5 | Confident | 48 Ų | 48 | 37 Ų | 37 | 50% | 0.495 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82 | -5.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | P74 S127 | P74-G129 PolarHBondContact O-N 3.35Å; P74-G129 VanDerWaalsContact O-N 3.14Å; S127-G129 PolarHBondContact O-N 2.87Å |
| 130 | E | 82.7 | Confident | 86.2 | Confident | 74 Ų | 74 | 39.1 Ų | 39.1 | 35% | 0.346 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | -55.3 | -176.3 | -156.8 | 179 | 122.5 | 0 | 0 | 111.8 | S127 P128 K178 | S127-E130 PolarHBondContact O-N 3.17Å; P128-E130 VanDerWaalsContact C-N 3.31Å; P128-E130 PolarHBondContact O-N 3.28Å; E130-K178 IonicContact OE1-NZ 2.68Å; E130-K178 IonicContact OE2-NZ 2.73Å; E130-K178 PolarHBondContact OE2-NZ 3.25Å |
| 131 | H | 84.3 | Confident | 86.7 | Confident | 48 Ų | 48 | 35.2 Ų | 35.2 | 22% | 0.222 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 128.1 | -178.9 | -62.4 | -74.2 | 0 | 0 | 0 | 112.1 | I126 S127 I180 | I126-H131 HydrophobicContact CB-CB 4.17Å; I126-H131 WeakPolarHBondContact CB-O 3.3Å; I126-H131 HydrophobicContact CD1-CB 4.34Å; I126-H131 HydrophobicContact CG2-CB 4.49Å; I126-H131 PolarHBondContact N-O 3.12Å; I126-H131 VanDerWaalsContact N-O 3.12Å; S127-H131 PolarHBondContact N-O 2.8Å; S127-H131 PolarHBondContact O-N 3.49Å; S127-H131 VanDerWaalsContact O-N 3.15Å; S127-H131 PolarHBondContact OG-N 3.17Å; S127-H131 VanDerWaalsContact OG-N 3.16Å; H131-I180 HydrophobicContact CB-CD1 4.22Å |
| 132 | C | 88.1 | Confident | 87.1 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 156.2 | 170.1 | 70.4 | 0 | 0 | 0 | 0 | 110.7 | G67 P69 | G67-C132 PolarHBondContact N-O 2.69Å; G67-C132 PolarHBondContact O-N 2.96Å; G67-C132 VanDerWaalsContact O-O 3.11Å; P69-C132 WeakPolarHBondContact CA-SG 3.24Å; P69-C132 HydrophobicContact CB-CB 4.02Å; P69-C132 HydrophobicContact CG-CB 4.42Å |
| 133 | W | 88.9 | Confident | 87.3 | Confident | 18 Ų | 18 | 32.8 Ų | 32.8 | 7% | 0.068 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 130.5 | 166.6 | -71.4 | 108.9 | 0 | 0 | 0 | 110.7 | A64 M66 L124 I126 I165 P166 V168 | A64-W133 HydrophobicContact CB-CE3 3.94Å; A64-W133 HydrophobicContact CB-CZ3 4.02Å; M66-W133 HydrophobicContact CE-CH2 3.48Å; M66-W133 VanDerWaalsContact CE-CH2 3.48Å; M66-W133 HydrophobicContact CE-CZ2 3.73Å; M66-W133 HydrophobicContact CE-CZ3 4.26Å; M66-W133 HydrophobicContact CG-CD2 4.38Å; M66-W133 HydrophobicContact CG-CE3 3.97Å; M66-W133 HydrophobicContact CG-CH2 3.82Å; M66-W133 HydrophobicContact CG-CZ2 4.24Å; M66-W133 HydrophobicContact CG-CZ3 3.66Å; L124-W133 HydrophobicContact CB-CB 4.02Å; L124-W133 HydrophobicContact CD2-CB 3.77Å; L124-W133 HydrophobicContact CD2-CG 4.34Å; L124-W133 HydrophobicContact CG-CB 4.45Å; L124-W133 WeakPolarHBondContact O-CB 3.45Å; L124-W133 PolarHBondContact O-N 3.17Å; I126-W133 HydrophobicContact CD1-CD2 4.28Å; I126-W133 HydrophobicContact CD1-CG 4.27Å; I126-W133 HydrophobicContact CG1-CG 4.47Å; W133-I165 HydrophobicContact CD2-CG2 3.77Å; W133-I165 HydrophobicContact CE3-CG2 4.18Å; W133-I165 HydrophobicContact CG-CG2 4.22Å; W133-I165 HydrophobicContact CH2-CG2 4.16Å; W133-I165 HydrophobicContact CZ2-CG2 3.75Å; W133-I165 HydrophobicContact CZ3-CG2 4.37Å; W133-P166 HydrophobicContact CH2-CG 3.86Å; W133-P166 HydrophobicContact CZ2-CG 4.26Å; W133-P166 WeakPolarHBondContact CZ2-O 3.27Å; W133-V168 HydrophobicContact CH2-CG1 4.48Å; W133-V168 HydrophobicContact CZ2-CG1 3.67Å |
| 134 | V | 90.3 | Very high | 87.4 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 123.5 | 170.7 | -174.2 | 0 | 0 | 0 | 0 | 107.2 | E65 Y78 E80 Y136 | E65-V134 PolarHBondContact N-O 3.09Å; E65-V134 PolarHBondContact O-N 2.94Å; Y78-V134 HydrophobicContact CD1-CG2 4.28Å; Y78-V134 HydrophobicContact CD2-CG1 3.95Å; Y78-V134 HydrophobicContact CE1-CG1 4.37Å; Y78-V134 HydrophobicContact CE1-CG2 3.61Å; Y78-V134 HydrophobicContact CE2-CB 4.48Å; Y78-V134 HydrophobicContact CE2-CG1 3.45Å; Y78-V134 VanDerWaalsContact CE2-CG1 3.45Å; Y78-V134 HydrophobicContact CE2-CG2 4.21Å; E80-V134 HydrophobicContact CG-CG1 4.34Å; V134-Y136 HydrophobicContact CB-CE2 4.06Å; V134-Y136 HydrophobicContact CG1-CD2 4.24Å; V134-Y136 HydrophobicContact CG1-CE1 4.28Å; V134-Y136 HydrophobicContact CG1-CE2 3.64Å |
| 135 | L | 91.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 110.6 | 177.6 | -58.2 | 176.7 | 0 | 0 | 0 | 108.9 | V62 K63 A64 Y78 L79 E80 L124 I165 L192 | V62-L135 HydrophobicContact CG1-CB 4.47Å; K63-L135 WeakPolarHBondContact O-CA 3.48Å; A64-L135 HydrophobicContact CB-CD2 3.67Å; Y78-L135 PolarHBondContact O-N 3.5Å; Y78-L135 VanDerWaalsContact O-N 3.12Å; L79-L135 WeakPolarHBondContact CA-O 3.48Å; L79-L135 HydrophobicContact CG-CB 4.18Å; L79-L135 HydrophobicContact CG-CD1 4.36Å; E80-L135 PolarHBondContact N-O 2.89Å; L124-L135 HydrophobicContact CD1-CD1 3.87Å; L124-L135 HydrophobicContact CD1-CG 4.31Å; L124-L135 HydrophobicContact CD2-CD1 4.37Å; L135-I165 HydrophobicContact CD2-CD1 3.89Å; L135-I165 HydrophobicContact CD2-CG1 4.45Å; L135-L192 HydrophobicContact CD1-CD1 3.55Å |
| 136 | Y | 93.1 | Very high | 87.4 | Confident | 66 Ų | 66 | 32.7 Ų | 32.7 | 26% | 0.259 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 116.6 | 171.1 | -68.6 | -77.9 | 0 | 0 | 0 | 108.6 | V62 K63 E65 E80 V134 | V62-Y136 CarbonylContact C-O 3.56Å; V62-Y136 VanDerWaalsContact CA-O 3.3Å; V62-Y136 WeakPolarHBondContact CA-O 3.44Å; K63-Y136 PolarHBondContact N-O 2.88Å; K63-Y136 PolarHBondContact O-N 2.8Å; E65-Y136 HydrophobicContact CB-CD2 4.25Å; E65-Y136 HydrophobicContact CB-CE2 4.03Å; E65-Y136 HydrophobicContact CG-CD2 4.1Å; E65-Y136 HydrophobicContact CG-CE2 4.24Å; E65-Y136 WeakPolarHBondContact OE2-CD2 2.85Å; E65-Y136 WeakPolarHBondContact OE2-CE2 3.22Å; E80-Y136 HydrophobicContact CB-CD1 3.79Å; E80-Y136 HydrophobicContact CB-CE1 3.84Å; E80-Y136 HydrophobicContact CG-CD1 4.42Å; E80-Y136 HydrophobicContact CG-CE1 4Å; E80-Y136 WeakPolarHBondContact OE2-CE1 3.18Å; E80-Y136 PolarHBondContact OE2-OH 3.5Å; V134-Y136 HydrophobicContact CB-CE2 4.06Å; V134-Y136 HydrophobicContact CG1-CD2 4.24Å; V134-Y136 HydrophobicContact CG1-CE1 4.28Å; V134-Y136 HydrophobicContact CG1-CE2 3.64Å |
| 137 | V | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 104.3 | 177.4 | -175.9 | 0 | 0 | 0 | 0 | 107.7 | V60 G61 V62 L79 E80 F81 F82 V139 I156 | V60-V137 HydrophobicContact CG1-CG1 3.77Å; G61-V137 WeakPolarHBondContact O-CA 3.48Å; V62-V137 HydrophobicContact CG1-CG2 4.5Å; V62-V137 HydrophobicContact CG2-CG1 4.39Å; V62-V137 HydrophobicContact CG2-CG2 4.23Å; L79-V137 HydrophobicContact CD2-CG2 4.45Å; E80-V137 PolarHBondContact O-N 3.31Å; F81-V137 WeakPolarHBondContact CA-O 3.4Å; F81-V137 HydrophobicContact CD1-CB 3.66Å; F81-V137 HydrophobicContact CD1-CG1 3.89Å; F81-V137 HydrophobicContact CD1-CG2 4.14Å; F81-V137 HydrophobicContact CE1-CB 3.9Å; F81-V137 HydrophobicContact CE1-CG1 4.06Å; F81-V137 HydrophobicContact CE1-CG2 3.88Å; F82-V137 PolarHBondContact N-O 2.87Å; V137-V139 HydrophobicContact CG1-CG2 4.43Å; V137-I156 HydrophobicContact CG1-CD1 4.39Å; V137-I156 HydrophobicContact CG1-CG1 3.96Å; V137-I156 HydrophobicContact CG1-CG2 4.35Å |
| 138 | D | 94.1 | Very high | 87.9 | Confident | 74 Ų | 74 | 32.8 Ų | 32.8 | 40% | 0.396 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 116.6 | 178.2 | -65.8 | -63.1 | 0 | 0 | 0 | 109.3 | V60 G61 F82 | V60-D138 CarbonylContact C-O 3.46Å; V60-D138 WeakPolarHBondContact CA-O 3.36Å; G61-D138 PolarHBondContact N-O 3.16Å; G61-D138 PolarHBondContact O-N 3.48Å; F82-D138 WeakPolarHBondContact CB-OD1 3.48Å |
| 139 | V | 93.8 | Very high | 88.3 | Confident | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.012 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 120.5 | 176.4 | -177.3 | 0 | 0 | 0 | 0 | 108.2 | V58 V60 F82 V83 D84 V137 L141 I152 I156 | V58-V139 HydrophobicContact CG1-CG1 3.71Å; V60-V139 HydrophobicContact CG2-CB 4.38Å; V60-V139 HydrophobicContact CG2-CG1 4.15Å; V60-V139 HydrophobicContact CG2-CG2 4.05Å; F82-V139 PolarHBondContact O-N 2.88Å; V83-V139 CarbonylContact C-O 3.56Å; V83-V139 WeakPolarHBondContact CA-O 3.23Å; V83-V139 HydrophobicContact CB-CB 4.45Å; V83-V139 HydrophobicContact CG1-CB 4.35Å; V83-V139 HydrophobicContact CG1-CG1 4.39Å; V83-V139 HydrophobicContact CG2-CB 4.08Å; V83-V139 HydrophobicContact CG2-CG2 4.27Å; D84-V139 PolarHBondContact N-O 3.46Å; V137-V139 HydrophobicContact CG1-CG2 4.43Å; V139-L141 HydrophobicContact CG1-CD2 4.43Å; V139-I152 HydrophobicContact CG1-CD1 4.4Å; V139-I152 HydrophobicContact CG1-CG1 3.93Å; V139-I152 HydrophobicContact CG1-CG2 3.92Å; V139-I152 HydrophobicContact CG2-CG2 4.05Å; V139-I156 HydrophobicContact CG2-CD1 4.1Å; V139-I156 HydrophobicContact CG2-CG1 4.21Å |
| 140 | L | 92.4 | Very high | 88.8 | Confident | 52 Ų | 52 | 27.2 Ų | 27.2 | 27% | 0.272 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 117.5 | 174.6 | -179.8 | 66.5 | 0 | 0 | 0 | 109.7 | L59 D84 L142 | L59-L140 HydrophobicContact CB-CB 4.36Å; L59-L140 HydrophobicContact CD2-CD2 4.33Å; L59-L140 PolarHBondContact N-O 3.16Å; L59-L140 PolarHBondContact O-N 2.8Å; D84-L140 HydrophobicContact CB-CD1 4.03Å; L140-L142 HydrophobicContact CD2-CD2 3.89Å; L140-L142 HydrophobicContact CG-CD2 4.14Å |
| 141 | L | 91.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 23.7 Ų | 23.7 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 119.1 | 173.1 | -61 | -178.1 | 0 | 0 | 0 | 109.9 | V58 D84 S86 L105 V139 L148 I152 | V58-L141 HydrophobicContact CB-CD2 4.43Å; V58-L141 HydrophobicContact CG1-CD2 4.09Å; V58-L141 HydrophobicContact CG2-CD2 3.71Å; D84-L141 PolarHBondContact O-N 2.9Å; S86-L141 WeakPolarHBondContact CB-O 3.46Å; S86-L141 PolarHBondContact N-O 3.03Å; L105-L141 HydrophobicContact CD1-CD1 4.13Å; V139-L141 HydrophobicContact CG1-CD2 4.43Å; L141-L148 HydrophobicContact CD1-CD1 4.29Å; L141-L148 HydrophobicContact CD1-CD2 4.34Å; L141-L148 HydrophobicContact CD2-CD2 4.18Å; L141-I152 HydrophobicContact CD2-CD1 4.05Å; L141-I152 HydrophobicContact CD2-CG1 4.08Å |
| 142 | L | 89.1 | Confident | 89.7 | Confident | 38 Ų | 38 | 21.5 Ų | 21.5 | 20% | 0.199 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -41.9 | 178.5 | -63.8 | 175 | 0 | 0 | 0 | 111.7 | D57 L59 N88 A89 L140 F289 | D57-L142 HydrophobicContact CB-CB 3.84Å; D57-L142 HydrophobicContact CB-CD1 4.45Å; D57-L142 PolarHBondContact O-N 3.08Å; L59-L142 HydrophobicContact CB-CD1 4.33Å; N88-L142 CarbonylContact C-O 3.59Å; A89-L142 WeakPolarHBondContact CA-O 3.18Å; A89-L142 WeakPolarHBondContact CB-O 3.23Å; A89-L142 PolarHBondContact N-O 2.93Å; L140-L142 HydrophobicContact CD2-CD2 3.89Å; L140-L142 HydrophobicContact CG-CD2 4.14Å; L142-F289 HydrophobicContact CD1-CE1 4Å; L142-F289 HydrophobicContact CD1-CZ 4.25Å |
| 143 | Q | 88 | Confident | 89.9 | Confident | 78 Ų | 78 | 21.6 Ų | 21.6 | 36% | 0.364 | 11% | 0.108 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 143.9 | 178.2 | -157.1 | 172.2 | -72.8 | 0 | 0 | 110.5 | H55 T56 D57 | H55-Q143 WeakPolarHBondContact O-CB 3.15Å; H55-Q143 VanDerWaalsContact O-CD 3.29Å; H55-Q143 WeakPolarHBondContact O-CG 3.4Å; H55-Q143 PolarHBondContact O-NE2 3.46Å; T56-Q143 WeakPolarHBondContact CA-O 3.45Å; D57-Q143 HydrophobicContact CB-CB 4Å; D57-Q143 PolarHBondContact N-O 3.12Å; D57-Q143 PolarHBondContact O-N 3.35Å |
| 144 | C | 83.6 | Confident | 90 | Very high | 23 Ų | 23 | 20.8 Ų | 20.8 | 16% | 0.155 | 11% | 0.105 | C | C | . | . | trans | -125.7 | 105 | -177.3 | 179.8 | 0 | 0 | 0 | 0 | 110.2 | A89 L148 | A89-C144 HydrophobicContact CB-CB 4.2Å; C144-L148 HydrophobicContact CB-CD2 4.24Å | ||
| 145 | D | 82.4 | Confident | 90.2 | Very high | 41 Ų | 41 | 20.7 Ų | 20.7 | 22% | 0.219 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -126.4 | 39.7 | 173.4 | -164.1 | -116.7 | 0 | 0 | 0 | 111.9 | R33 H55 T56 | R33-D145 IonicContact CZ-OD1 3.52Å; R33-D145 PolarHBondContact NH1-O 3.44Å; R33-D145 IonicContact NH1-OD1 2.88Å; R33-D145 PolarHBondContact NH1-OD1 3.43Å; R33-D145 IonicContact NH2-OD1 3.76Å; H55-D145 HydrophobicContact CB-CB 3.4Å; H55-D145 VanDerWaalsContact CB-CB 3.4Å; H55-D145 WeakPolarHBondContact O-CB 3.42Å; T56-D145 WeakPolarHBondContact OG1-CA 3.48Å; T56-D145 PolarHBondContact OG1-N 3.03Å |
| 146 | G | 82.1 | Confident | 90.2 | Very high | 3 Ų | 3 | 20.7 Ų | 20.7 | 3% | 0.031 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 88.3 | 178 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | T56 L148 | T56-G146 PolarHBondContact OG1-O 3.32Å; G146-L148 PolarHBondContact O-N 2.86Å |
| 147 | N | 85.9 | Confident | 90.1 | Very high | 10 Ų | 10 | 17.6 Ų | 17.6 | 5% | 0.053 | 9% | 0.092 | C | C | . | . | trans | 42.2 | 39.4 | -178.1 | -161.5 | 26.4 | 0 | 0 | 0 | 117 | Y32 L53 F149 D150 A151 T202 D213 | Y32-N147 WeakPolarHBondContact CE1-ND2 3.34Å; L53-N147 HydrophobicContact CD2-CB 4.01Å; N147-F149 PolarHBondContact O-N 2.85Å; N147-D150 WeakPolarHBondContact ND2-CB 3.47Å; N147-D150 PolarHBondContact ND2-OD2 2.92Å; N147-D150 PolarHBondContact O-N 2.88Å; N147-D150 VanDerWaalsContact OD1-CB 3.24Å; N147-D150 WeakPolarHBondContact OD1-CB 3.3Å; N147-A151 PolarHBondContact O-N 3.17Å; N147-T202 PolarHBondContact OD1-OG1 3.32Å; N147-D213 WeakPolarHBondContact CB-OD2 3.44Å; N147-D213 PolarHBondContact ND2-OD2 3.37Å | ||
| 148 | L | 88.6 | Confident | 90 | Very high | 23 Ų | 23 | 17.6 Ų | 17.6 | 12% | 0.12 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -57.5 | -44.2 | -177.9 | -67.2 | 174.4 | 0 | 0 | 0 | 113.5 | T56 L141 C144 G146 D150 A151 I152 | T56-L148 HydrophobicContact CG2-CD2 3.76Å; L141-L148 HydrophobicContact CD1-CD1 4.29Å; L141-L148 HydrophobicContact CD1-CD2 4.34Å; L141-L148 HydrophobicContact CD2-CD2 4.18Å; C144-L148 HydrophobicContact CB-CD2 4.24Å; G146-L148 PolarHBondContact O-N 2.86Å; L148-D150 PolarHBondContact O-N 2.77Å; L148-A151 PolarHBondContact O-N 2.9Å; L148-I152 HydrophobicContact CB-CD1 4.3Å; L148-I152 WeakPolarHBondContact O-CB 3.5Å; L148-I152 WeakPolarHBondContact O-CD1 3.42Å; L148-I152 WeakPolarHBondContact O-CG1 3.37Å; L148-I152 PolarHBondContact O-N 3.13Å |
| 149 | F | 91 | Very high | 89.9 | Confident | 19 Ų | 19 | 14 Ų | 14 | 8% | 0.083 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -59.1 | -37.8 | -174.3 | -69.3 | -84.9 | 0 | 0 | 0 | 112.6 | L105 T108 N147 S153 I200 I227 | L105-F149 HydrophobicContact CD2-CD1 3.55Å; L105-F149 HydrophobicContact CD2-CD2 4.49Å; L105-F149 HydrophobicContact CD2-CE1 3.34Å; L105-F149 HydrophobicContact CD2-CE2 4.29Å; L105-F149 HydrophobicContact CD2-CG 4.14Å; L105-F149 HydrophobicContact CD2-CZ 3.73Å; L105-F149 HydrophobicContact CG-CE1 4.4Å; T108-F149 HydrophobicContact CG2-CD1 4.27Å; T108-F149 HydrophobicContact CG2-CE1 4.16Å; N147-F149 PolarHBondContact O-N 2.85Å; F149-S153 WeakPolarHBondContact O-CB 3.29Å; F149-S153 PolarHBondContact O-N 3.36Å; F149-S153 VanDerWaalsContact O-N 3.07Å; F149-I200 HydrophobicContact CB-CG2 3.87Å; F149-I227 HydrophobicContact CD1-CD1 3.93Å; F149-I227 HydrophobicContact CD2-CD1 3.78Å; F149-I227 HydrophobicContact CE1-CD1 3.73Å; F149-I227 HydrophobicContact CE2-CD1 3.62Å; F149-I227 HydrophobicContact CG-CD1 3.95Å; F149-I227 HydrophobicContact CZ-CD1 3.6Å |
| 150 | D | 91.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -73.1 | -51.5 | -178.9 | -168.3 | 0.2 | 0 | 0 | 0 | 111 | Y32 N147 L148 I152 S153 V154 I200 | Y32-D150 WeakPolarHBondContact CE1-OD2 3.2Å; Y32-D150 PolarHBondContact OH-OD2 3.36Å; N147-D150 WeakPolarHBondContact ND2-CB 3.47Å; N147-D150 PolarHBondContact ND2-OD2 2.92Å; N147-D150 PolarHBondContact O-N 2.88Å; N147-D150 VanDerWaalsContact OD1-CB 3.24Å; N147-D150 WeakPolarHBondContact OD1-CB 3.3Å; L148-D150 PolarHBondContact O-N 2.77Å; D150-I152 VanDerWaalsContact C-N 3.27Å; D150-I152 PolarHBondContact O-N 3.1Å; D150-S153 WeakPolarHBondContact O-CA 3.49Å; D150-S153 WeakPolarHBondContact O-CB 3.36Å; D150-S153 PolarHBondContact O-N 2.9Å; D150-S153 PolarHBondContact O-OG 3.31Å; D150-V154 WeakPolarHBondContact O-CG2 3.15Å; D150-V154 PolarHBondContact O-N 3.48Å; D150-I200 WeakPolarHBondContact CA-O 3.48Å; D150-I200 WeakPolarHBondContact CB-O 3.45Å |
| 151 | A | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -54 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L53 T56 V58 N147 L148 V154 A155 | L53-A151 HydrophobicContact CB-CB 4.32Å; L53-A151 HydrophobicContact CD2-CB 4.18Å; T56-A151 HydrophobicContact CG2-CB 4.15Å; V58-A151 HydrophobicContact CG2-CB 3.93Å; N147-A151 PolarHBondContact O-N 3.17Å; L148-A151 PolarHBondContact O-N 2.9Å; A151-V154 PolarHBondContact O-N 3.26Å; A151-A155 VanDerWaalsContact O-CB 3.26Å; A151-A155 WeakPolarHBondContact O-CB 3.45Å; A151-A155 PolarHBondContact O-N 2.75Å |
| 152 | I | 93 | Very high | 89.4 | Confident | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.01 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 175.6 | -64.6 | 163.4 | 0 | 0 | 0 | 110.9 | V58 L105 L109 V139 L141 L148 D150 V154 A155 I156 | V58-I152 HydrophobicContact CG1-CG1 4.01Å; V58-I152 HydrophobicContact CG2-CG1 4.27Å; L105-I152 HydrophobicContact CD1-CD1 4.04Å; L105-I152 HydrophobicContact CD2-CD1 3.81Å; L105-I152 HydrophobicContact CG-CD1 4.46Å; L109-I152 HydrophobicContact CD1-CG2 4.03Å; L109-I152 HydrophobicContact CD2-CG2 4.14Å; V139-I152 HydrophobicContact CG1-CD1 4.4Å; V139-I152 HydrophobicContact CG1-CG1 3.93Å; V139-I152 HydrophobicContact CG1-CG2 3.92Å; V139-I152 HydrophobicContact CG2-CG2 4.05Å; L141-I152 HydrophobicContact CD2-CD1 4.05Å; L141-I152 HydrophobicContact CD2-CG1 4.08Å; L148-I152 HydrophobicContact CB-CD1 4.3Å; L148-I152 WeakPolarHBondContact O-CB 3.5Å; L148-I152 WeakPolarHBondContact O-CD1 3.42Å; L148-I152 WeakPolarHBondContact O-CG1 3.37Å; L148-I152 PolarHBondContact O-N 3.13Å; D150-I152 VanDerWaalsContact C-N 3.27Å; D150-I152 PolarHBondContact O-N 3.1Å; I152-V154 PolarHBondContact O-N 2.94Å; I152-A155 PolarHBondContact O-N 3.31Å; I152-I156 HydrophobicContact CG2-CD1 3.59Å; I152-I156 HydrophobicContact CG2-CG1 4.18Å; I152-I156 WeakPolarHBondContact O-CB 3.33Å; I152-I156 VanDerWaalsContact O-CG1 3.23Å; I152-I156 WeakPolarHBondContact O-CG1 3.38Å; I152-I156 PolarHBondContact O-N 2.57Å |
| 153 | S | 92 | Very high | 89.4 | Confident | 2 Ų | 2 | 12.4 Ų | 12.4 | 1% | 0.014 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.8 | -40.2 | -179.4 | 79 | 0 | 0 | 0 | 0 | 112.7 | F149 D150 K157 I200 | F149-S153 WeakPolarHBondContact O-CB 3.29Å; F149-S153 PolarHBondContact O-N 3.36Å; F149-S153 VanDerWaalsContact O-N 3.07Å; D150-S153 WeakPolarHBondContact O-CA 3.49Å; D150-S153 WeakPolarHBondContact O-CB 3.36Å; D150-S153 PolarHBondContact O-N 2.9Å; D150-S153 PolarHBondContact O-OG 3.31Å; S153-K157 WeakPolarHBondContact O-CB 3.28Å; S153-K157 PolarHBondContact O-N 3.27Å; S153-I200 PolarHBondContact OG-N 3.28Å |
| 154 | V | 91.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 12.6 Ų | 12.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -66.5 | -43.9 | 175.5 | 175.8 | 0 | 0 | 0 | 0 | 110 | I37 V51 D150 A151 I152 K157 A158 L266 L270 | I37-V154 HydrophobicContact CD1-CG1 3.56Å; I37-V154 HydrophobicContact CG1-CG1 4.36Å; V51-V154 HydrophobicContact CG2-CG1 4.12Å; D150-V154 WeakPolarHBondContact O-CG2 3.15Å; D150-V154 PolarHBondContact O-N 3.48Å; A151-V154 PolarHBondContact O-N 3.26Å; I152-V154 PolarHBondContact O-N 2.94Å; V154-K157 PolarHBondContact O-N 3.08Å; V154-A158 WeakPolarHBondContact O-CB 3.06Å; V154-A158 PolarHBondContact O-N 3.47Å; V154-L266 HydrophobicContact CG2-CD2 4.11Å; V154-L270 HydrophobicContact CG1-CD1 3.8Å; V154-L270 HydrophobicContact CG1-CD2 4.16Å |
| 155 | A | 92.9 | Very high | 89.3 | Confident | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -64.3 | -43.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V51 V58 V60 A151 I152 K157 A158 A159 | V51-A155 HydrophobicContact CB-CB 4.08Å; V51-A155 HydrophobicContact CG2-CB 3.54Å; V58-A155 HydrophobicContact CG1-CB 4.28Å; V60-A155 HydrophobicContact CB-CB 4.25Å; V60-A155 HydrophobicContact CG2-CB 3.44Å; V60-A155 VanDerWaalsContact CG2-CB 3.44Å; A151-A155 VanDerWaalsContact O-CB 3.26Å; A151-A155 WeakPolarHBondContact O-CB 3.45Å; A151-A155 PolarHBondContact O-N 2.75Å; I152-A155 PolarHBondContact O-N 3.31Å; A155-K157 VanDerWaalsContact C-N 3.34Å; A155-K157 PolarHBondContact O-N 2.82Å; A155-A158 PolarHBondContact O-N 2.75Å; A155-A159 VanDerWaalsContact O-CB 3.3Å; A155-A159 WeakPolarHBondContact O-CB 3.16Å; A155-A159 PolarHBondContact O-N 3.25Å |
| 156 | I | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 175 | -68.4 | 169.1 | 0 | 0 | 0 | 110.3 | V60 F81 L109 F113 V137 V139 I152 A158 A159 L160 | V60-I156 HydrophobicContact CG1-CG1 4.15Å; V60-I156 HydrophobicContact CG2-CG1 4.28Å; F81-I156 HydrophobicContact CD1-CD1 4.24Å; F81-I156 HydrophobicContact CE1-CD1 4.21Å; F81-I156 HydrophobicContact CE1-CG2 4.29Å; L109-I156 HydrophobicContact CD1-CD1 3.76Å; L109-I156 HydrophobicContact CD2-CD1 3.61Å; L109-I156 HydrophobicContact CG-CD1 4.29Å; F113-I156 HydrophobicContact CE1-CG2 4.39Å; F113-I156 HydrophobicContact CE2-CD1 4.41Å; F113-I156 HydrophobicContact CE2-CG2 4.08Å; F113-I156 HydrophobicContact CZ-CG2 3.6Å; V137-I156 HydrophobicContact CG1-CD1 4.39Å; V137-I156 HydrophobicContact CG1-CG1 3.96Å; V137-I156 HydrophobicContact CG1-CG2 4.35Å; V139-I156 HydrophobicContact CG2-CD1 4.1Å; V139-I156 HydrophobicContact CG2-CG1 4.21Å; I152-I156 HydrophobicContact CG2-CD1 3.59Å; I152-I156 HydrophobicContact CG2-CG1 4.18Å; I152-I156 WeakPolarHBondContact O-CB 3.33Å; I152-I156 VanDerWaalsContact O-CG1 3.23Å; I152-I156 WeakPolarHBondContact O-CG1 3.38Å; I152-I156 PolarHBondContact O-N 2.57Å; I156-A158 PolarHBondContact O-N 2.91Å; I156-A159 PolarHBondContact O-N 2.85Å; I156-L160 HydrophobicContact CG2-CD1 3.74Å; I156-L160 HydrophobicContact CG2-CG 4.17Å; I156-L160 WeakPolarHBondContact O-CB 3.43Å; I156-L160 VanDerWaalsContact O-CG 3.26Å; I156-L160 WeakPolarHBondContact O-CG 3.48Å; I156-L160 PolarHBondContact O-N 2.85Å |
| 157 | K | 91.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -62.2 | -43.5 | 177.9 | -178.4 | 162.9 | 178.7 | 161.9 | 0 | 112.1 | S153 V154 A155 F161 V197 H267 L270 | S153-K157 WeakPolarHBondContact O-CB 3.28Å; S153-K157 PolarHBondContact O-N 3.27Å; V154-K157 PolarHBondContact O-N 3.08Å; A155-K157 VanDerWaalsContact C-N 3.34Å; A155-K157 PolarHBondContact O-N 2.82Å; K157-F161 WeakPolarHBondContact O-CB 3.49Å; K157-F161 PolarHBondContact O-N 2.92Å; K157-V197 HydrophobicContact CB-CG1 3.8Å; K157-V197 HydrophobicContact CD-CB 4.04Å; K157-V197 HydrophobicContact CD-CG1 3.95Å; K157-V197 HydrophobicContact CG-CB 4.14Å; K157-V197 HydrophobicContact CG-CG1 3.87Å; K157-V197 PolarHBondContact NZ-O 3.07Å; K157-V197 VanDerWaalsContact NZ-O 3.17Å; K157-H267 PolarHBondContact NZ-CE1 2.91Å; K157-H267 PolarHBondContact NZ-ND1 2.95Å; K157-L270 HydrophobicContact CB-CD2 4.4Å; K157-L270 HydrophobicContact CD-CD2 3.72Å; K157-L270 HydrophobicContact CG-CD2 4.11Å |
| 158 | A | 91.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | I37 T39 A49 V154 A155 I156 F161 N162 L274 | I37-A158 HydrophobicContact CG2-CB 3.98Å; T39-A158 HydrophobicContact CG2-CB 4.22Å; A49-A158 HydrophobicContact CB-CB 3.66Å; V154-A158 WeakPolarHBondContact O-CB 3.06Å; V154-A158 PolarHBondContact O-N 3.47Å; A155-A158 PolarHBondContact O-N 2.75Å; I156-A158 PolarHBondContact O-N 2.91Å; A158-F161 WeakPolarHBondContact O-CB 3.35Å; A158-F161 PolarHBondContact O-N 2.94Å; A158-N162 PolarHBondContact O-N 3.07Å; A158-N162 VanDerWaalsContact O-N 3.17Å; A158-L274 HydrophobicContact CB-CD2 3.97Å |
| 159 | A | 91.9 | Very high | 88 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.2 | -41.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A49 V60 V62 A155 I156 F161 N162 T163 | A49-A159 HydrophobicContact CB-CB 3.92Å; V60-A159 HydrophobicContact CB-CB 4.17Å; V60-A159 HydrophobicContact CG1-CB 3.79Å; V62-A159 HydrophobicContact CG2-CB 3.75Å; A155-A159 VanDerWaalsContact O-CB 3.3Å; A155-A159 WeakPolarHBondContact O-CB 3.16Å; A155-A159 PolarHBondContact O-N 3.25Å; I156-A159 PolarHBondContact O-N 2.85Å; A159-F161 VanDerWaalsContact C-N 3.33Å; A159-F161 PolarHBondContact O-N 2.83Å; A159-N162 PolarHBondContact O-N 2.69Å; A159-T163 PolarHBondContact O-N 2.9Å; A159-T163 PolarHBondContact O-OG1 2.79Å |
| 160 | L | 89.6 | Confident | 87 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -64.9 | -35 | 174.2 | -73 | 173.7 | 0 | 0 | 0 | 112.2 | V62 L79 F113 I156 N162 T163 L192 V194 V197 | V62-L160 HydrophobicContact CG1-CD2 4.49Å; V62-L160 HydrophobicContact CG2-CD2 4.44Å; L79-L160 HydrophobicContact CD2-CD2 4.43Å; F113-L160 HydrophobicContact CE1-CD1 4.17Å; I156-L160 HydrophobicContact CG2-CD1 3.74Å; I156-L160 HydrophobicContact CG2-CG 4.17Å; I156-L160 WeakPolarHBondContact O-CB 3.43Å; I156-L160 VanDerWaalsContact O-CG 3.26Å; I156-L160 WeakPolarHBondContact O-CG 3.48Å; I156-L160 PolarHBondContact O-N 2.85Å; L160-N162 VanDerWaalsContact C-N 3.32Å; L160-T163 WeakPolarHBondContact CA-OG1 3.36Å; L160-T163 PolarHBondContact O-N 2.85Å; L160-L192 HydrophobicContact CD2-CD1 4.23Å; L160-V194 HydrophobicContact CB-CG1 3.86Å; L160-V197 HydrophobicContact CD1-CG2 4.32Å |
| 161 | F | 89.4 | Confident | 86 | Confident | 35 Ų | 35 | 25 Ų | 25 | 15% | 0.154 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.9 | -40.1 | 175.5 | -179.7 | -96.4 | 0 | 0 | 0 | 111.3 | K157 A158 A159 T163 V194 L274 E278 | K157-F161 WeakPolarHBondContact O-CB 3.49Å; K157-F161 PolarHBondContact O-N 2.92Å; A158-F161 WeakPolarHBondContact O-CB 3.35Å; A158-F161 PolarHBondContact O-N 2.94Å; A159-F161 VanDerWaalsContact C-N 3.33Å; A159-F161 PolarHBondContact O-N 2.83Å; F161-T163 VanDerWaalsContact C-N 3.34Å; F161-V194 HydrophobicContact CB-CG1 4.38Å; F161-V194 HydrophobicContact CB-CG2 3.98Å; F161-V194 HydrophobicContact CD2-CG2 3.52Å; F161-V194 HydrophobicContact CG-CG2 4.23Å; F161-L274 HydrophobicContact CB-CD1 4.03Å; F161-L274 HydrophobicContact CD1-CB 3.79Å; F161-L274 HydrophobicContact CD1-CD1 4.29Å; F161-L274 HydrophobicContact CD1-CD2 4.04Å; F161-L274 HydrophobicContact CD1-CG 4.25Å; F161-L274 HydrophobicContact CD2-CD1 4.44Å; F161-L274 HydrophobicContact CE1-CB 3.75Å; F161-L274 WeakPolarHBondContact CE1-O 3.49Å; F161-L274 HydrophobicContact CE2-CB 4.49Å; F161-L274 HydrophobicContact CG-CB 4.2Å; F161-L274 HydrophobicContact CG-CD1 4Å; F161-L274 HydrophobicContact CG-CD2 4.48Å; F161-L274 HydrophobicContact CG-CG 4.46Å; F161-L274 HydrophobicContact CZ-CB 4.11Å; F161-E278 HydrophobicContact CE1-CB 4.47Å |
| 162 | N | 87.9 | Confident | 84.8 | Confident | 23 Ų | 23 | 32.9 Ų | 32.9 | 12% | 0.123 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -84 | -6.8 | 179.2 | -169.8 | 40 | 0 | 0 | 0 | 113.6 | D40 A158 A159 L160 K164 | D40-N162 WeakPolarHBondContact CA-ND2 3.46Å; D40-N162 VanDerWaalsContact CB-ND2 3.34Å; D40-N162 WeakPolarHBondContact CB-ND2 3.48Å; D40-N162 PolarHBondContact N-ND2 3Å; D40-N162 PolarHBondContact OD2-ND2 2.84Å; A158-N162 PolarHBondContact O-N 3.07Å; A158-N162 VanDerWaalsContact O-N 3.17Å; A159-N162 PolarHBondContact O-N 2.69Å; L160-N162 VanDerWaalsContact C-N 3.32Å; N162-K164 PolarHBondContact O-N 2.89Å |
| 163 | T | 88.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | -65.4 | 124.3 | -179 | -57.2 | 0 | 0 | 0 | 0 | 110.9 | D46 V62 A159 L160 F161 I165 | D46-T163 HydrophobicContact CB-CG2 4.24Å; D46-T163 WeakPolarHBondContact O-CA 3.41Å; V62-T163 HydrophobicContact CG1-CG2 3.97Å; A159-T163 PolarHBondContact O-N 2.9Å; A159-T163 PolarHBondContact O-OG1 2.79Å; L160-T163 WeakPolarHBondContact CA-OG1 3.36Å; L160-T163 PolarHBondContact O-N 2.85Å; F161-T163 VanDerWaalsContact C-N 3.34Å; T163-I165 HydrophobicContact CG2-CG1 3.95Å | ||
| 164 | K | 85.9 | Confident | 81.8 | Confident | 82 Ų | 82 | 46.6 Ų | 46.6 | 36% | 0.357 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 107.2 | 176.2 | -70.7 | 167.7 | -164.4 | 153.8 | 0 | 108.8 | D46 N162 C189 | D46-K164 PolarHBondContact O-N 2.81Å; N162-K164 PolarHBondContact O-N 2.89Å; K164-C189 HydrophobicContact CB-CB 3.73Å; K164-C189 HydrophobicContact CG-CB 4.28Å |
| 165 | I | 85.3 | Confident | 80.2 | Confident | 3 Ų | 3 | 55.6 Ų | 55.6 | 2% | 0.015 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 125 | 179.7 | -54.6 | 175.7 | 0 | 0 | 0 | 107.7 | A64 L124 W133 L135 T163 C189 M190 L192 | A64-I165 HydrophobicContact CB-CG1 4.29Å; A64-I165 HydrophobicContact CB-CG2 4.41Å; L124-I165 HydrophobicContact CD2-CD1 3.43Å; L124-I165 VanDerWaalsContact CD2-CD1 3.43Å; W133-I165 HydrophobicContact CD2-CG2 3.77Å; W133-I165 HydrophobicContact CE3-CG2 4.18Å; W133-I165 HydrophobicContact CG-CG2 4.22Å; W133-I165 HydrophobicContact CH2-CG2 4.16Å; W133-I165 HydrophobicContact CZ2-CG2 3.75Å; W133-I165 HydrophobicContact CZ3-CG2 4.37Å; L135-I165 HydrophobicContact CD2-CD1 3.89Å; L135-I165 HydrophobicContact CD2-CG1 4.45Å; T163-I165 HydrophobicContact CG2-CG1 3.95Å; I165-C189 CarbonylContact O-C 3.59Å; I165-C189 VanDerWaalsContact O-CA 3.23Å; I165-C189 WeakPolarHBondContact O-CA 3.33Å; I165-M190 PolarHBondContact N-O 3.42Å; I165-M190 PolarHBondContact O-N 3.45Å; I165-L192 HydrophobicContact CD1-CD1 4.13Å; I165-L192 HydrophobicContact CD1-CD2 4.36Å; I165-L192 HydrophobicContact CD1-CG 4.14Å |
| 166 | P | 80.8 | Confident | 78.6 | Confident | 38 Ų | 38 | 58.8 Ų | 58.8 | 25% | 0.247 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 139.6 | 176.8 | 27.2 | -33.8 | 0 | 0 | 0 | 110.2 | W133 L182 | W133-P166 HydrophobicContact CH2-CG 3.86Å; W133-P166 HydrophobicContact CZ2-CG 4.26Å; W133-P166 WeakPolarHBondContact CZ2-O 3.27Å; P166-L182 HydrophobicContact CB-CD2 4.14Å; P166-L182 HydrophobicContact CG-CD2 4.03Å |
| 167 | K | 78.6 | Confident | 77 | Confident | 89 Ų | 89 | 60.5 Ų | 60.5 | 39% | 0.387 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 145.1 | 172.9 | -68.8 | -154 | -154.2 | 118.7 | 0 | 110.7 | S183 D188 | K167-S183 PolarHBondContact O-N 3.16Å; K167-S183 VanDerWaalsContact O-N 3.13Å; K167-D188 WeakPolarHBondContact CB-OD1 3.24Å; K167-D188 WeakPolarHBondContact CD-OD1 3.3Å; K167-D188 WeakPolarHBondContact CE-OD1 3.34Å; K167-D188 WeakPolarHBondContact CG-OD1 3.49Å; K167-D188 PolarHBondContact N-O 3.37Å; K167-D188 IonicContact NZ-OD1 2.75Å; K167-D188 PolarHBondContact NZ-OD1 2.9Å; K167-D188 IonicContact NZ-OD2 3.54Å; K167-D188 PolarHBondContact NZ-OD2 3.14Å |
| 168 | V | 76.9 | Confident | 75.7 | Confident | 31 Ų | 31 | 64.3 Ų | 64.3 | 19% | 0.188 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 132.6 | 175.5 | -73.2 | 0 | 0 | 0 | 0 | 109.3 | M66 I126 W133 I180 L182 | M66-V168 HydrophobicContact CE-CG1 3.26Å; M66-V168 HydrophobicContact SD-CG1 4.28Å; I126-V168 HydrophobicContact CB-CG2 4.27Å; I126-V168 HydrophobicContact CD1-CG1 4.47Å; I126-V168 HydrophobicContact CD1-CG2 3.91Å; I126-V168 HydrophobicContact CG1-CG2 3.74Å; I126-V168 HydrophobicContact CG2-CG2 3.65Å; W133-V168 HydrophobicContact CH2-CG1 4.48Å; W133-V168 HydrophobicContact CZ2-CG1 3.67Å; V168-I180 HydrophobicContact CB-CG2 3.91Å; V168-I180 HydrophobicContact CG1-CG2 3.75Å; V168-L182 HydrophobicContact CG1-CD2 3.72Å |
| 169 | H | 73.9 | Confident | 74.5 | Confident | 104 Ų | 104 | 69.9 Ų | 69.9 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 129 | 168.2 | -69.9 | -76.2 | 0 | 0 | 0 | 107.9 | E181 S183 | H169-E181 HydrophobicContact CB-CB 4.43Å; H169-E181 PolarHBondContact N-O 2.92Å; H169-E181 PolarHBondContact O-N 2.9Å; H169-S183 PolarHBondContact CD2-OG 3.21Å; H169-S183 PolarHBondContact NE2-OG 2.84Å |
| 170 | I | 70.6 | Confident | 73.5 | Confident | 70 Ų | 70 | 72.4 Ų | 72.4 | 36% | 0.359 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 114.6 | 174.4 | -52.3 | 171.1 | 0 | 0 | 0 | 105.9 | I126 K178 | I126-I170 HydrophobicContact CG2-CD1 3.54Å; I126-I170 HydrophobicContact CG2-CG1 3.81Å; I126-I170 WeakPolarHBondContact O-CD1 3.2Å; I170-K178 HydrophobicContact CG2-CB 4.19Å; I170-K178 HydrophobicContact CG2-CD 4.42Å; I170-K178 HydrophobicContact CG2-CG 4.35Å |
| 171 | S | 69.8 | Low | 72.5 | Confident | 45 Ų | 45 | 77.4 Ų | 77.4 | 32% | 0.315 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 121.9 | 170.2 | -67.6 | 0 | 0 | 0 | 0 | 107 | E179 E181 | S171-E179 PolarHBondContact N-O 2.85Å; S171-E179 PolarHBondContact O-N 3.25Å; S171-E181 PolarHBondContact OG-OE2 3.34Å |
| 172 | E | 66.8 | Low | 71.6 | Confident | 166 Ų | 166 | 80.2 Ų | 80.2 | 78% | 0.776 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 116.8 | 173.2 | -67.3 | -178.5 | 104 | 0 | 0 | 108 | ||
| 173 | D | 64.3 | Low | 70.6 | Confident | 84 Ų | 84 | 80.3 Ų | 80.3 | 45% | 0.449 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 153.8 | 174.3 | -162.5 | -99.5 | 0 | 0 | 0 | 110.7 | E175 G176 G177 | D173-E175 PolarHBondContact O-N 3.02Å; D173-E175 VanDerWaalsContact O-N 3.08Å; D173-E175 PolarHBondContact OD1-N 3.44Å; D173-G176 PolarHBondContact O-N 3.2Å; D173-G177 WeakPolarHBondContact CB-O 3.24Å; D173-G177 PolarHBondContact N-O 3.01Å |
| 174 | E | 58 | Low | 69.3 | Low | 207 Ų | 207 | 88.1 Ų | 88.1 | 97% | 0.967 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -17.2 | -177.1 | -69.4 | -168.9 | 96.6 | 0 | 0 | 113.1 | ||
| 175 | E | 59.5 | Low | 68.4 | Low | 189 Ų | 189 | 89.4 Ų | 89.4 | 88% | 0.883 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | 5 | 172.7 | -84.8 | 177.9 | 60.2 | 0 | 0 | 114.7 | D173 G177 | D173-E175 PolarHBondContact O-N 3.02Å; D173-E175 VanDerWaalsContact O-N 3.08Å; D173-E175 PolarHBondContact OD1-N 3.44Å; E175-G177 VanDerWaalsContact C-N 3.35Å |
| 176 | G | 58.7 | Low | 67.4 | Low | 67 Ų | 67 | 93.9 Ų | 93.9 | 69% | 0.691 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 80.1 | 12.4 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | D173 | D173-G176 PolarHBondContact O-N 3.2Š|
| 177 | G | 58.8 | Low | 66.8 | Low | 37 Ų | 37 | 100.9 Ų | 100.9 | 38% | 0.381 | 53% | 0.525 | S | S | . | . | trans | -78.6 | 130.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | D173 E175 | D173-G177 WeakPolarHBondContact CB-O 3.24Å; D173-G177 PolarHBondContact N-O 3.01Å; E175-G177 VanDerWaalsContact C-N 3.35Å | ||
| 178 | K | 63.2 | Low | 66.3 | Low | 80 Ų | 80 | 99.2 Ų | 99.2 | 35% | 0.348 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 114.4 | 170.9 | -65.7 | 179.4 | -167 | 152.9 | 0 | 108.4 | E130 I170 | E130-K178 IonicContact OE1-NZ 2.68Å; E130-K178 IonicContact OE2-NZ 2.73Å; E130-K178 PolarHBondContact OE2-NZ 3.25Å; I170-K178 HydrophobicContact CG2-CB 4.19Å; I170-K178 HydrophobicContact CG2-CD 4.42Å; I170-K178 HydrophobicContact CG2-CG 4.35Å |
| 179 | E | 66.3 | Low | 66.1 | Low | 117 Ų | 117 | 99.6 Ų | 99.6 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 130.2 | 170.1 | -64.3 | -164.9 | 137.3 | 0 | 0 | 109.1 | S171 | S171-E179 PolarHBondContact N-O 2.85Å; S171-E179 PolarHBondContact O-N 3.25Å |
| 180 | I | 70.3 | Confident | 66.2 | Low | 52 Ų | 52 | 98 Ų | 98 | 27% | 0.267 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 104.5 | 177 | -54.7 | 174.3 | 0 | 0 | 0 | 107.1 | M66 H131 V168 | M66-I180 HydrophobicContact CE-CG2 4.03Å; M66-I180 HydrophobicContact SD-CD1 4.07Å; M66-I180 HydrophobicContact SD-CG2 3.93Å; H131-I180 HydrophobicContact CB-CD1 4.22Å; V168-I180 HydrophobicContact CB-CG2 3.91Å; V168-I180 HydrophobicContact CG1-CG2 3.75Å |
| 181 | E | 70 | Confident | 66.7 | Low | 106 Ų | 106 | 100.5 Ų | 100.5 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 119.5 | 172.7 | -66.3 | -176.9 | 106.2 | 0 | 0 | 108.6 | H169 S171 | H169-E181 HydrophobicContact CB-CB 4.43Å; H169-E181 PolarHBondContact N-O 2.92Å; H169-E181 PolarHBondContact O-N 2.9Å; S171-E181 PolarHBondContact OG-OE2 3.34Å |
| 182 | L | 69.4 | Low | 67.2 | Low | 94 Ų | 94 | 99 Ų | 99 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 134.3 | 169.9 | -78 | 164.4 | 0 | 0 | 0 | 108.7 | M66 P166 V168 D184 | M66-L182 HydrophobicContact CE-CD1 4.32Å; M66-L182 HydrophobicContact CE-CD2 3.47Å; M66-L182 VanDerWaalsContact CE-CD2 3.47Å; M66-L182 HydrophobicContact CE-CG 3.98Å; P166-L182 HydrophobicContact CB-CD2 4.14Å; P166-L182 HydrophobicContact CG-CD2 4.03Å; V168-L182 HydrophobicContact CG1-CD2 3.72Å; L182-D184 PolarHBondContact O-N 3.48Å |
| 183 | S | 68.3 | Low | 67.8 | Low | 26 Ų | 26 | 95.5 Ų | 95.5 | 18% | 0.182 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 122.1 | 169.6 | -69.9 | 0 | 0 | 0 | 0 | 109.8 | K167 H169 D185 | K167-S183 PolarHBondContact O-N 3.16Å; K167-S183 VanDerWaalsContact O-N 3.13Å; H169-S183 PolarHBondContact CD2-OG 3.21Å; H169-S183 PolarHBondContact NE2-OG 2.84Å; S183-D185 PolarHBondContact O-N 3.13Å |
| 184 | D | 60.2 | Low | 68.6 | Low | 164 Ų | 164 | 91.8 Ų | 91.8 | 88% | 0.877 | 48% | 0.477 | S | S | * | . | trans | -68.8 | -10.7 | 174.7 | -104 | -79.3 | 0 | 0 | 0 | 112.9 | L182 P186 | L182-D184 PolarHBondContact O-N 3.48Å; D184-P186 WeakPolarHBondContact O-CD 3.34Å | ||
| 185 | D | 67.3 | Low | 69.6 | Low | 108 Ų | 108 | 85.5 Ų | 85.5 | 58% | 0.578 | 45% | 0.448 | S | S | * | . | trans | -77.2 | 111.4 | 178.5 | -80.3 | -77.9 | 0 | 0 | 0 | 111.7 | S183 Y187 D188 | S183-D185 PolarHBondContact O-N 3.13Å; D185-Y187 PolarHBondContact O-N 3.24Å; D185-D188 HydrophobicContact CB-CB 3.95Å; D185-D188 PolarHBondContact O-N 3.36Å | ||
| 186 | P | 64.8 | Low | 70.8 | Confident | 98 Ų | 98 | 78.2 Ų | 78.2 | 64% | 0.636 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -3.1 | 179.4 | 30.3 | -36.4 | 0 | 0 | 0 | 113.4 | D184 | D184-P186 WeakPolarHBondContact O-CD 3.34Š|
| 187 | Y | 67.8 | Low | 72.1 | Confident | 185 Ų | 185 | 75 Ų | 75 | 73% | 0.725 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -15.4 | 175.7 | -63.9 | -79.3 | 0 | 0 | 0 | 112.7 | D185 C189 | D185-Y187 PolarHBondContact O-N 3.24Å; Y187-C189 PolarHBondContact O-N 3.3Å; Y187-C189 VanDerWaalsContact O-N 3.08Å |
| 188 | D | 67.3 | Low | 73.5 | Confident | 54 Ų | 54 | 73.3 Ų | 73.3 | 29% | 0.289 | 36% | 0.364 | S | S | . | . | trans | -88.8 | 65.1 | 178.1 | -156.3 | -107.4 | 0 | 0 | 0 | 110.3 | K167 D185 | K167-D188 WeakPolarHBondContact CB-OD1 3.24Å; K167-D188 WeakPolarHBondContact CD-OD1 3.3Å; K167-D188 WeakPolarHBondContact CE-OD1 3.34Å; K167-D188 WeakPolarHBondContact CG-OD1 3.49Å; K167-D188 PolarHBondContact N-O 3.37Å; K167-D188 IonicContact NZ-OD1 2.75Å; K167-D188 PolarHBondContact NZ-OD1 2.9Å; K167-D188 IonicContact NZ-OD2 3.54Å; K167-D188 PolarHBondContact NZ-OD2 3.14Å; D185-D188 HydrophobicContact CB-CB 3.95Å; D185-D188 PolarHBondContact O-N 3.36Å | ||
| 189 | C | 72.5 | Confident | 74.7 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 134.9 | 177.1 | -54.2 | 0 | 0 | 0 | 0 | 110.5 | K164 I165 Y187 | K164-C189 HydrophobicContact CB-CB 3.73Å; K164-C189 HydrophobicContact CG-CB 4.28Å; I165-C189 CarbonylContact O-C 3.59Å; I165-C189 VanDerWaalsContact O-CA 3.23Å; I165-C189 WeakPolarHBondContact O-CA 3.33Å; Y187-C189 PolarHBondContact O-N 3.3Å; Y187-C189 VanDerWaalsContact O-N 3.08Å |
| 190 | M | 77.4 | Confident | 76 | Confident | 71 Ų | 71 | 64 Ų | 64 | 35% | 0.35 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 134.7 | 166 | -175.1 | 169.3 | -158.8 | 0 | 0 | 110 | S123 I165 | S123-M190 VanDerWaalsContact CB-CE 3.45Å; I165-M190 PolarHBondContact N-O 3.42Å; I165-M190 PolarHBondContact O-N 3.45Å |
| 191 | R | 80.7 | Confident | 77.1 | Confident | 123 Ų | 123 | 61.5 Ų | 61.5 | 46% | 0.464 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 145.8 | 170 | -64.8 | -173.7 | -176.2 | 175.4 | -2.3 | 110.3 | E278 | R191-E278 IonicContact CZ-OE1 3.46Å; R191-E278 IonicContact CZ-OE2 2.79Å; R191-E278 IonicContact NH1-OE1 3.76Å; R191-E278 PolarHBondContact NH1-OE1 3.45Å; R191-E278 IonicContact NH1-OE2 3.84Å; R191-E278 PolarHBondContact NH1-OE2 2.81Å; R191-E278 IonicContact NH2-OE1 3.99Å; R191-E278 IonicContact NH2-OE2 3.79Å |
| 192 | L | 80.4 | Confident | 78.1 | Confident | 14 Ų | 14 | 57 Ų | 57 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | trans | -82.4 | 142.7 | 175 | -69.7 | 165.3 | 0 | 0 | 0 | 110.6 | V119 L124 L135 L160 I165 V194 | V119-L192 HydrophobicContact CG1-CD2 4.3Å; L124-L192 HydrophobicContact CD1-CD2 4.43Å; L124-L192 HydrophobicContact CD2-CD2 4.03Å; L124-L192 HydrophobicContact CG-CD2 4.26Å; L135-L192 HydrophobicContact CD1-CD1 3.55Å; L160-L192 HydrophobicContact CD2-CD1 4.23Å; I165-L192 HydrophobicContact CD1-CD1 4.13Å; I165-L192 HydrophobicContact CD1-CD2 4.36Å; I165-L192 HydrophobicContact CD1-CG 4.14Å; L192-V194 PolarHBondContact O-N 2.55Å | ||
| 193 | N | 78.5 | Confident | 79.2 | Confident | 92 Ų | 92 | 52.5 Ų | 52.5 | 49% | 0.492 | 27% | 0.266 | S | S | . | . | trans | -80.4 | 111.4 | 171.6 | -172 | 10.3 | 0 | 0 | 0 | 110.1 | E195 | N193-E195 PolarHBondContact ND2-OE1 3.41Å; N193-E195 WeakPolarHBondContact OD1-CG 3.35Å; N193-E195 PolarHBondContact OD1-N 2.87Å; N193-E195 PolarHBondContact OD1-OE1 2.89Å | ||
| 194 | V | 80.4 | Confident | 80.4 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.03 | 26% | 0.258 | C | S | . | . | trans | -101.2 | 8.2 | -176.8 | -57.1 | 0 | 0 | 0 | 0 | 114.3 | L160 F161 L192 N196 V197 M271 | L160-V194 HydrophobicContact CB-CG1 3.86Å; F161-V194 HydrophobicContact CB-CG1 4.38Å; F161-V194 HydrophobicContact CB-CG2 3.98Å; F161-V194 HydrophobicContact CD2-CG2 3.52Å; F161-V194 HydrophobicContact CG-CG2 4.23Å; L192-V194 PolarHBondContact O-N 2.55Å; V194-N196 PolarHBondContact O-N 3.46Å; V194-V197 HydrophobicContact CB-CB 4.45Å; V194-V197 HydrophobicContact CB-CG2 3.9Å; V194-V197 HydrophobicContact CG1-CG2 4.25Å; V194-V197 WeakPolarHBondContact O-CB 3.45Å; V194-V197 PolarHBondContact O-N 2.93Å; V194-V197 VanDerWaalsContact O-N 3.16Å; V194-M271 HydrophobicContact CG2-CE 4.48Å; V194-M271 HydrophobicContact CG2-SD 4.41Å | ||
| 195 | E | 79.6 | Confident | 81.8 | Confident | 76 Ų | 76 | 44.2 Ų | 44.2 | 36% | 0.355 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -41.8 | -178.1 | 66.5 | 177.6 | 84.4 | 0 | 0 | 111.5 | N193 H232 | N193-E195 PolarHBondContact ND2-OE1 3.41Å; N193-E195 WeakPolarHBondContact OD1-CG 3.35Å; N193-E195 PolarHBondContact OD1-N 2.87Å; N193-E195 PolarHBondContact OD1-OE1 2.89Å; E195-H232 PolarHBondContact O-ND1 2.93Å; E195-H232 IonicContact OE2-CE1 2.83Å |
| 196 | N | 84.1 | Confident | 82.8 | Confident | 35 Ų | 35 | 39.1 Ų | 39.1 | 19% | 0.187 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -0.8 | -174.9 | -70.1 | -36.1 | 0 | 0 | 0 | 113.7 | Y117 V194 P198 H232 | Y117-N196 WeakPolarHBondContact O-CB 3.2Å; Y117-N196 PolarHBondContact O-ND2 3.33Å; V194-N196 PolarHBondContact O-N 3.46Å; N196-P198 WeakPolarHBondContact O-CD 3.33Å; N196-H232 PolarHBondContact OD1-CE1 2.8Å; N196-H232 PolarHBondContact OD1-ND1 3.17Å |
| 197 | V | 86.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 121.2 | 176.2 | 172.8 | 0 | 0 | 0 | 0 | 108.3 | F113 V119 K157 L160 V194 H267 | F113-V197 HydrophobicContact CE1-CG1 3.8Å; F113-V197 HydrophobicContact CZ-CG1 4.06Å; V119-V197 HydrophobicContact CG2-CG2 4.23Å; K157-V197 HydrophobicContact CB-CG1 3.8Å; K157-V197 HydrophobicContact CD-CB 4.04Å; K157-V197 HydrophobicContact CD-CG1 3.95Å; K157-V197 HydrophobicContact CG-CB 4.14Å; K157-V197 HydrophobicContact CG-CG1 3.87Å; K157-V197 PolarHBondContact NZ-O 3.07Å; K157-V197 VanDerWaalsContact NZ-O 3.17Å; L160-V197 HydrophobicContact CD1-CG2 4.32Å; V194-V197 HydrophobicContact CB-CB 4.45Å; V194-V197 HydrophobicContact CB-CG2 3.9Å; V194-V197 HydrophobicContact CG1-CG2 4.25Å; V194-V197 WeakPolarHBondContact O-CB 3.45Å; V194-V197 PolarHBondContact O-N 2.93Å; V194-V197 VanDerWaalsContact O-N 3.16Å; V197-H267 PolarHBondContact O-CE1 3.39Å |
| 198 | P | 88.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -76.4 | 148.9 | -177.2 | 31.7 | -35.9 | 0 | 0 | 0 | 111.7 | V112 N196 V230 T231 | V112-P198 HydrophobicContact CG1-CB 4.24Å; V112-P198 HydrophobicContact CG1-CG 3.35Å; N196-P198 WeakPolarHBondContact O-CD 3.33Å; P198-V230 CarbonylContact C-O 3.42Å; P198-V230 VanDerWaalsContact CA-O 3.26Å; P198-V230 WeakPolarHBondContact CA-O 3.48Å; P198-T231 HydrophobicContact CB-CG2 4.16Å |
| 199 | C | 89.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 145 | 166.9 | -72 | 0 | 0 | 0 | 0 | 108.7 | S229 V230 H267 | C199-S229 CarbonylContact O-C 3.59Å; C199-S229 WeakPolarHBondContact O-CA 3.44Å; C199-V230 PolarHBondContact N-O 3.35Å; C199-V230 PolarHBondContact O-N 3.03Å; C199-H267 PolarHBondContact N-CE1 3.46Å; C199-H267 PolarHBondContact N-NE2 3.2Å; C199-H267 PolarHBondContact SG-CE1 2.82Å |
| 200 | I | 92.4 | Very high | 86.5 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 118.6 | -178.6 | -61.3 | 175.1 | 0 | 0 | 0 | 108.7 | L109 V112 F149 D150 S153 I227 I228 | L109-I200 HydrophobicContact CD2-CD1 4.19Å; V112-I200 HydrophobicContact CG1-CG1 4.46Å; V112-I200 HydrophobicContact CG2-CD1 4.05Å; V112-I200 HydrophobicContact CG2-CG1 4.34Å; F149-I200 HydrophobicContact CB-CG2 3.87Å; D150-I200 WeakPolarHBondContact CA-O 3.48Å; D150-I200 WeakPolarHBondContact CB-O 3.45Å; S153-I200 PolarHBondContact OG-N 3.28Å; I200-I227 HydrophobicContact CG2-CG2 3.23Å; I200-I228 CarbonylContact C-O 3.21Å; I200-I228 WeakPolarHBondContact CA-O 3.49Å |
| 201 | V | 93.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.4 | 173 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | L203 V212 I228 V262 | V201-L203 HydrophobicContact CG1-CD1 3.85Å; V201-L203 HydrophobicContact CG1-CG 4.28Å; V201-V212 HydrophobicContact CG1-CG1 4.37Å; V201-I228 PolarHBondContact N-O 3.27Å; V201-I228 PolarHBondContact O-N 3.46Å; V201-V262 HydrophobicContact CG1-CB 4.36Å; V201-V262 HydrophobicContact CG1-CG1 3.89Å; V201-V262 HydrophobicContact CG2-CG1 4.14Å |
| 202 | T | 92.8 | Very high | 87.7 | Confident | 12 Ų | 12 | 28.2 Ų | 28.2 | 7% | 0.074 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 120.1 | 175.8 | -52.1 | 0 | 0 | 0 | 0 | 109.8 | N147 I227 | N147-T202 PolarHBondContact OD1-OG1 3.32Å; T202-I227 HydrophobicContact CG2-CG1 4.44Å |
| 203 | L | 92.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.5 | 174.5 | -61 | 100.6 | 0 | 0 | 0 | 109.8 | V201 V211 V212 S225 L226 I228 M255 T258 | V201-L203 HydrophobicContact CG1-CD1 3.85Å; V201-L203 HydrophobicContact CG1-CG 4.28Å; L203-V211 CarbonylContact C-O 3.57Å; L203-V211 WeakPolarHBondContact CA-O 3.37Å; L203-V212 HydrophobicContact CD2-CG2 4.19Å; L203-V212 HydrophobicContact CG-CG2 4.32Å; L203-S225 CarbonylContact O-C 3.59Å; L203-S225 VanDerWaalsContact O-CA 3.3Å; L203-S225 WeakPolarHBondContact O-CA 3.24Å; L203-L226 PolarHBondContact N-O 2.88Å; L203-L226 PolarHBondContact O-N 3.33Å; L203-I228 HydrophobicContact CD1-CD1 3.72Å; L203-I228 HydrophobicContact CD1-CG1 3.99Å; L203-M255 HydrophobicContact CB-CG 4.4Å; L203-M255 HydrophobicContact CD2-CB 4.09Å; L203-M255 HydrophobicContact CD2-CG 4.31Å; L203-M255 WeakPolarHBondContact CD2-O 3.35Å; L203-T258 HydrophobicContact CD2-CG2 3.96Å |
| 204 | C | 91.8 | Very high | 88.6 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 132.1 | 176.5 | -69.8 | 0 | 0 | 0 | 0 | 110.4 | V206 H210 V211 A214 S225 | C204-V206 PolarHBondContact O-N 2.8Å; C204-H210 CarbonylContact O-C 3.54Å; C204-H210 WeakPolarHBondContact O-CA 3.42Å; C204-V211 PolarHBondContact N-O 3.5Å; C204-V211 PolarHBondContact O-N 3.11Å; C204-A214 HydrophobicContact CB-CB 3.7Å; C204-A214 VanDerWaalsContact SG-CB 3.5Å; C204-S225 PolarHBondContact SG-OG 3.23Å |
| 205 | K | 90.9 | Very high | 89 | Confident | 13 Ų | 13 | 23.6 Ų | 23.6 | 6% | 0.057 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 113.9 | 172.4 | -171.7 | 161 | 175.2 | 152 | 0 | 110 | G207 S222 V223 A224 L247 D248 S251 M255 | K205-G207 VanDerWaalsContact CE-O 3.25Å; K205-G207 WeakPolarHBondContact CE-O 3.14Å; K205-S222 VanDerWaalsContact O-CA 3.25Å; K205-S222 WeakPolarHBondContact O-CA 3.45Å; K205-S222 WeakPolarHBondContact O-CB 3.47Å; K205-V223 PolarHBondContact O-N 2.91Å; K205-V223 VanDerWaalsContact O-N 3.1Å; K205-A224 PolarHBondContact N-O 3.45Å; K205-L247 HydrophobicContact CB-CD1 4.37Å; K205-L247 HydrophobicContact CD-CD1 3.33Å; K205-L247 HydrophobicContact CG-CD1 4.45Å; K205-D248 IonicContact NZ-OD2 2.82Å; K205-D248 PolarHBondContact NZ-OD2 2.92Å; K205-S251 PolarHBondContact NZ-OG 3.22Å; K205-M255 HydrophobicContact CB-CE 3.66Å; K205-M255 HydrophobicContact CD-CE 3.96Å; K205-M255 HydrophobicContact CG-CE 4.02Å |
| 206 | V | 88.7 | Confident | 89.3 | Confident | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.012 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 107.3 | 174.5 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | L15 V18 C204 H208 R209 V211 | L15-V206 HydrophobicContact CG-CG1 4.34Å; V18-V206 HydrophobicContact CB-CG1 4.35Å; V18-V206 HydrophobicContact CG1-CB 4.21Å; V18-V206 HydrophobicContact CG1-CG1 4.41Å; V18-V206 HydrophobicContact CG2-CG1 4.26Å; C204-V206 PolarHBondContact O-N 2.8Å; V206-H208 PolarHBondContact O-N 2.8Å; V206-R209 PolarHBondContact N-O 2.75Å; V206-R209 PolarHBondContact O-N 2.87Å; V206-R209 VanDerWaalsContact O-O 3.11Å; V206-V211 HydrophobicContact CG2-CG2 4.48Å |
| 207 | G | 85.4 | Confident | 89.5 | Confident | 21 Ų | 21 | 23.9 Ų | 23.9 | 22% | 0.216 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | -122.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K205 | K205-G207 VanDerWaalsContact CE-O 3.25Å; K205-G207 WeakPolarHBondContact CE-O 3.14Å |
| 208 | H | 84.6 | Confident | 89.5 | Confident | 182 Ų | 182 | 24.1 Ų | 24.1 | 84% | 0.843 | 12% | 0.116 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -8.1 | 179 | -69.3 | -75.2 | 0 | 0 | 0 | 114.1 | V206 | V206-H208 PolarHBondContact O-N 2.8Š|
| 209 | R | 87.9 | Confident | 89.5 | Confident | 124 Ų | 124 | 27 Ų | 27 | 47% | 0.468 | 13% | 0.129 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 160.4 | -179.9 | -151.2 | 80.3 | 179.2 | -172 | 1.2 | 110 | V18 V206 | V18-R209 HydrophobicContact CG1-CB 3.8Å; V18-R209 HydrophobicContact CG1-CG 4.36Å; V206-R209 PolarHBondContact N-O 2.75Å; V206-R209 PolarHBondContact O-N 2.87Å; V206-R209 VanDerWaalsContact O-O 3.11Å |
| 210 | H | 90.8 | Very high | 89.4 | Confident | 13 Ų | 13 | 29.3 Ų | 29.3 | 6% | 0.06 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 143.8 | 170 | 60.7 | -92.2 | 0 | 0 | 0 | 109.7 | C204 E254 M255 T258 | C204-H210 CarbonylContact O-C 3.54Å; C204-H210 WeakPolarHBondContact O-CA 3.42Å; H210-E254 IonicContact CE1-OE1 3.83Å; H210-E254 PolarHBondContact CE1-OE1 3.29Å; H210-E254 IonicContact ND1-OE1 3.41Å; H210-E254 PolarHBondContact ND1-OE1 3.1Å; H210-M255 HydrophobicContact CB-CE 3.64Å; H210-M255 HydrophobicContact CB-CG 3.82Å; H210-T258 WeakPolarHBondContact NE2-CB 3.36Å; H210-T258 PolarHBondContact NE2-OG1 3.1Å |
| 211 | V | 91.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 133.2 | -178.5 | 178.9 | 0 | 0 | 0 | 0 | 108.8 | V18 C29 L203 C204 V206 | V18-V211 HydrophobicContact CB-CG2 4.44Å; V18-V211 HydrophobicContact CG1-CG2 3.51Å; V18-V211 HydrophobicContact CG2-CG2 4Å; C29-V211 HydrophobicContact CB-CG2 4.39Å; C29-V211 WeakPolarHBondContact O-CA 3.46Å; L203-V211 CarbonylContact C-O 3.57Å; L203-V211 WeakPolarHBondContact CA-O 3.37Å; C204-V211 PolarHBondContact N-O 3.5Å; C204-V211 PolarHBondContact O-N 3.11Å; V206-V211 HydrophobicContact CG2-CG2 4.48Å |
| 212 | V | 91.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 146.8 | 170.7 | 178.9 | 0 | 0 | 0 | 0 | 108.7 | R23 C29 Y32 V201 L203 A214 T258 V262 | R23-V212 PolarHBondContact NH1-O 3.22Å; C29-V212 PolarHBondContact O-N 3.45Å; Y32-V212 HydrophobicContact CD1-CG1 4.33Å; Y32-V212 HydrophobicContact CD2-CG1 4.2Å; Y32-V212 HydrophobicContact CE1-CG1 3.68Å; Y32-V212 HydrophobicContact CE2-CG1 3.61Å; V201-V212 HydrophobicContact CG1-CG1 4.37Å; L203-V212 HydrophobicContact CD2-CG2 4.19Å; L203-V212 HydrophobicContact CG-CG2 4.32Å; V212-A214 PolarHBondContact O-N 2.88Å; V212-T258 HydrophobicContact CG2-CG2 4.34Å; V212-V262 HydrophobicContact CG1-CG1 4.06Å; V212-V262 HydrophobicContact CG2-CG2 4.25Å |
| 213 | D | 89.9 | Confident | 88.5 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 57.1 | 51.6 | 176.8 | -172.1 | -129.6 | 0 | 0 | 0 | 112.4 | R23 R27 Y32 R33 N147 T215 | R23-D213 PolarHBondContact NH2-O 3.41Å; R27-D213 IonicContact CZ-OD1 2.56Å; R27-D213 IonicContact NH1-OD1 3.15Å; R27-D213 PolarHBondContact NH1-OD1 3.36Å; R27-D213 IonicContact NH2-OD1 3.43Å; Y32-D213 HydrophobicContact CD1-CB 3.49Å; Y32-D213 VanDerWaalsContact CD1-CB 3.49Å; Y32-D213 HydrophobicContact CE1-CB 3.69Å; Y32-D213 HydrophobicContact CG-CB 4.4Å; R33-D213 VanDerWaalsContact CG-OD1 3.3Å; R33-D213 WeakPolarHBondContact CG-OD1 3.41Å; R33-D213 PolarHBondContact N-OD1 3.4Å; R33-D213 IonicContact NE-OD1 3.68Å; N147-D213 WeakPolarHBondContact CB-OD2 3.44Å; N147-D213 PolarHBondContact ND2-OD2 3.37Å; D213-T215 PolarHBondContact O-N 3.37Å |
| 214 | A | 88.2 | Confident | 88.4 | Confident | 6 Ų | 6 | 34.5 Ų | 34.5 | 5% | 0.05 | 18% | 0.181 | C | C | . | . | trans | -65.9 | 129 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111 | C204 V212 E218 | C204-A214 HydrophobicContact CB-CB 3.7Å; C204-A214 VanDerWaalsContact SG-CB 3.5Å; V212-A214 PolarHBondContact O-N 2.88Å; A214-E218 WeakPolarHBondContact CA-OE2 3.48Å; A214-E218 HydrophobicContact CB-CB 4.13Å | ||
| 215 | T | 88.1 | Confident | 88.3 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | trans | -65.8 | 165.8 | 172.6 | 72.5 | 0 | 0 | 0 | 0 | 110.3 | D213 Q217 E218 K219 | D213-T215 PolarHBondContact O-N 3.37Å; T215-Q217 PolarHBondContact O-N 3.36Å; T215-E218 PolarHBondContact N-OE2 2.84Å; T215-E218 PolarHBondContact O-N 3.24Å; T215-E218 WeakPolarHBondContact OG1-CG 3.37Å; T215-E218 PolarHBondContact OG1-N 3.4Å; T215-K219 WeakPolarHBondContact O-CB 3.3Å; T215-K219 PolarHBondContact O-N 3.49Å | ||
| 216 | L | 86.8 | Confident | 88.3 | Confident | 38 Ų | 38 | 34.5 Ų | 34.5 | 20% | 0.199 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.8 | -39.1 | 175.6 | -69.7 | 174.7 | 0 | 0 | 0 | 112.4 | V4 K219 A220 | V4-L216 HydrophobicContact CG2-CB 3.89Å; V4-L216 HydrophobicContact CG2-CD1 4.2Å; L216-K219 PolarHBondContact O-N 2.74Å; L216-A220 WeakPolarHBondContact O-CB 3.36Å; L216-A220 PolarHBondContact O-N 3.24Å |
| 217 | Q | 87.9 | Confident | 88.5 | Confident | 79 Ų | 79 | 34.6 Ų | 34.6 | 37% | 0.369 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.6 | -45.6 | 178.2 | -65.5 | 171.6 | -37.8 | 0 | 0 | 111.5 | V4 V6 I14 T215 A220 C221 | V4-Q217 HydrophobicContact CG1-CG 4.18Å; V6-Q217 HydrophobicContact CG2-CB 4.35Å; V6-Q217 HydrophobicContact CG2-CG 4.41Å; I14-Q217 HydrophobicContact CD1-CB 4.1Å; T215-Q217 PolarHBondContact O-N 3.36Å; Q217-A220 PolarHBondContact O-N 3.41Å; Q217-C221 PolarHBondContact O-N 2.94Å; Q217-C221 PolarHBondContact O-SG 2.81Å |
| 218 | E | 88 | Confident | 88.9 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.019 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.1 | -38.4 | 177.3 | -69.9 | 169.5 | 160.1 | 0 | 0 | 111.6 | I14 R23 A214 T215 A220 C221 S222 | I14-E218 HydrophobicContact CG2-CG 3.89Å; R23-E218 IonicContact CZ-OE1 3.93Å; R23-E218 IonicContact CZ-OE2 2.69Å; R23-E218 IonicContact NE-OE1 2.71Å; R23-E218 PolarHBondContact NE-OE1 3Å; R23-E218 IonicContact NE-OE2 2.84Å; R23-E218 IonicContact NH2-OE1 3.57Å; R23-E218 PolarHBondContact NH2-OE1 2.84Å; R23-E218 IonicContact NH2-OE2 3Å; R23-E218 PolarHBondContact NH2-OE2 2.75Å; A214-E218 WeakPolarHBondContact CA-OE2 3.48Å; A214-E218 HydrophobicContact CB-CB 4.13Å; T215-E218 PolarHBondContact N-OE2 2.84Å; T215-E218 PolarHBondContact O-N 3.24Å; T215-E218 WeakPolarHBondContact OG1-CG 3.37Å; T215-E218 PolarHBondContact OG1-N 3.4Å; E218-A220 VanDerWaalsContact C-N 3.31Å; E218-A220 PolarHBondContact O-N 2.84Å; E218-C221 CarbonylContact O-C 3.29Å; E218-C221 WeakPolarHBondContact O-CA 3.08Å; E218-C221 WeakPolarHBondContact O-CB 3.25Å; E218-C221 PolarHBondContact O-N 2.92Å; E218-C221 VanDerWaalsContact O-N 3.07Å; E218-S222 PolarHBondContact O-N 2.8Å |
| 219 | K | 87 | Confident | 89.2 | Confident | 63 Ų | 63 | 25 Ų | 25 | 27% | 0.274 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -61.7 | -40 | 174.6 | -171.3 | 179.2 | -179.5 | -177.9 | 0 | 111.3 | T215 L216 C221 S222 | T215-K219 WeakPolarHBondContact O-CB 3.3Å; T215-K219 PolarHBondContact O-N 3.49Å; L216-K219 PolarHBondContact O-N 2.74Å; K219-C221 PolarHBondContact O-N 3.06Å; K219-S222 WeakPolarHBondContact O-CB 3.46Å; K219-S222 PolarHBondContact O-N 2.79Å; K219-S222 VanDerWaalsContact O-N 3.11Å; K219-S222 PolarHBondContact O-OG 2.8Å |
| 220 | A | 86.8 | Confident | 89.3 | Confident | 47 Ų | 47 | 19.1 Ų | 19.1 | 39% | 0.388 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -65.7 | -24.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V6 L216 Q217 E218 | V6-A220 HydrophobicContact CG2-CB 4.07Å; L216-A220 WeakPolarHBondContact O-CB 3.36Å; L216-A220 PolarHBondContact O-N 3.24Å; Q217-A220 PolarHBondContact O-N 3.41Å; E218-A220 VanDerWaalsContact C-N 3.31Å; E218-A220 PolarHBondContact O-N 2.84Å |
| 221 | C | 86 | Confident | 89.2 | Confident | 21 Ų | 21 | 19.1 Ų | 19.1 | 14% | 0.142 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -86.6 | -16.7 | 173.5 | -57.6 | 0 | 0 | 0 | 0 | 113 | Q217 E218 K219 | Q217-C221 PolarHBondContact O-N 2.94Å; Q217-C221 PolarHBondContact O-SG 2.81Å; E218-C221 CarbonylContact O-C 3.29Å; E218-C221 WeakPolarHBondContact O-CA 3.08Å; E218-C221 WeakPolarHBondContact O-CB 3.25Å; E218-C221 PolarHBondContact O-N 2.92Å; E218-C221 VanDerWaalsContact O-N 3.07Å; K219-C221 PolarHBondContact O-N 3.06Å |
| 222 | S | 86.9 | Confident | 88.9 | Confident | 24 Ų | 24 | 22.3 Ų | 22.3 | 17% | 0.168 | 13% | 0.126 | C | C | . | . | trans | -76.9 | 145 | -174.7 | 75.6 | 0 | 0 | 0 | 0 | 112.3 | K205 E218 K219 | K205-S222 VanDerWaalsContact O-CA 3.25Å; K205-S222 WeakPolarHBondContact O-CA 3.45Å; K205-S222 WeakPolarHBondContact O-CB 3.47Å; E218-S222 PolarHBondContact O-N 2.8Å; K219-S222 WeakPolarHBondContact O-CB 3.46Å; K219-S222 PolarHBondContact O-N 2.79Å; K219-S222 VanDerWaalsContact O-N 3.11Å; K219-S222 PolarHBondContact O-OG 2.8Å | ||
| 223 | V | 86.8 | Confident | 88.6 | Confident | 76 Ų | 76 | 28.1 Ų | 28.1 | 46% | 0.461 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -88.9 | -37.9 | -179.7 | -143.2 | 0 | 0 | 0 | 0 | 110.8 | K205 G245 | K205-V223 PolarHBondContact O-N 2.91Å; K205-V223 VanDerWaalsContact O-N 3.1Å; V223-G245 WeakPolarHBondContact O-CA 3.5Å; V223-G245 PolarHBondContact O-N 2.89Å |
| 224 | A | 89.8 | Confident | 88.2 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.017 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 150.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K205 | K205-A224 PolarHBondContact N-O 3.45Å |
| 225 | S | 89.9 | Confident | 88.2 | Confident | 9 Ų | 9 | 31.9 Ų | 31.9 | 6% | 0.063 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.4 | 172.4 | -51.2 | 0 | 0 | 0 | 0 | 109.3 | L203 C204 K241 V242 | L203-S225 CarbonylContact O-C 3.59Å; L203-S225 VanDerWaalsContact O-CA 3.3Å; L203-S225 WeakPolarHBondContact O-CA 3.24Å; C204-S225 PolarHBondContact SG-OG 3.23Å; S225-K241 CarbonylContact O-C 3.5Å; S225-K241 WeakPolarHBondContact O-CA 3.09Å; S225-V242 PolarHBondContact N-O 3.46Å; S225-V242 PolarHBondContact O-N 3.18Å; S225-V242 VanDerWaalsContact O-O 3.09Å |
| 226 | L | 92.1 | Very high | 88.2 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.2 | 174.5 | -165.3 | 64.6 | 0 | 0 | 0 | 108.5 | L203 I228 V239 K241 I252 M255 | L203-L226 PolarHBondContact N-O 2.88Å; L203-L226 PolarHBondContact O-N 3.33Å; L226-I228 HydrophobicContact CD2-CD1 3.83Å; L226-I228 HydrophobicContact CD2-CG1 4.2Å; L226-I228 HydrophobicContact CG-CD1 4.15Å; L226-I228 HydrophobicContact CG-CG1 3.97Å; L226-V239 HydrophobicContact CD1-CG1 3.51Å; L226-V239 HydrophobicContact CD2-CG1 4.22Å; L226-V239 HydrophobicContact CG-CG1 3.96Å; L226-K241 HydrophobicContact CD1-CB 4.1Å; L226-I252 HydrophobicContact CD2-CG2 4.2Å; L226-M255 HydrophobicContact CB-SD 4.09Å; L226-M255 HydrophobicContact CD2-CB 3.77Å; L226-M255 HydrophobicContact CD2-SD 4.11Å |
| 227 | I | 92.8 | Very high | 88.2 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 122.8 | 176.9 | -57.1 | 178.3 | 0 | 0 | 0 | 107.1 | F149 I200 T202 V239 R240 V242 | F149-I227 HydrophobicContact CD1-CD1 3.93Å; F149-I227 HydrophobicContact CD2-CD1 3.78Å; F149-I227 HydrophobicContact CE1-CD1 3.73Å; F149-I227 HydrophobicContact CE2-CD1 3.62Å; F149-I227 HydrophobicContact CG-CD1 3.95Å; F149-I227 HydrophobicContact CZ-CD1 3.6Å; I200-I227 HydrophobicContact CG2-CG2 3.23Å; T202-I227 HydrophobicContact CG2-CG1 4.44Å; I227-V239 CarbonylContact O-C 3.59Å; I227-V239 WeakPolarHBondContact O-CA 3.4Å; I227-R240 HydrophobicContact CB-CB 4.4Å; I227-R240 PolarHBondContact N-O 2.8Å; I227-R240 PolarHBondContact O-N 2.89Å; I227-V242 HydrophobicContact CD1-CB 4.45Å; I227-V242 HydrophobicContact CD1-CG2 3.53Å; I227-V242 HydrophobicContact CG1-CG2 4.2Å |
| 228 | I | 92.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 122.8 | -175.9 | -51.8 | -171.2 | 0 | 0 | 0 | 108.4 | I200 V201 L203 L226 V230 V236 C238 V239 M255 T256 | I200-I228 CarbonylContact C-O 3.21Å; I200-I228 WeakPolarHBondContact CA-O 3.49Å; V201-I228 PolarHBondContact N-O 3.27Å; V201-I228 PolarHBondContact O-N 3.46Å; L203-I228 HydrophobicContact CD1-CD1 3.72Å; L203-I228 HydrophobicContact CD1-CG1 3.99Å; L226-I228 HydrophobicContact CD2-CD1 3.83Å; L226-I228 HydrophobicContact CD2-CG1 4.2Å; L226-I228 HydrophobicContact CG-CD1 4.15Å; L226-I228 HydrophobicContact CG-CG1 3.97Å; I228-V230 HydrophobicContact CG2-CG2 3.77Å; I228-V236 HydrophobicContact CG2-CG1 3.69Å; I228-V236 HydrophobicContact CG2-CG2 4.22Å; I228-C238 WeakPolarHBondContact CA-O 3.44Å; I228-V239 HydrophobicContact CG2-CG2 4.4Å; I228-M255 WeakPolarHBondContact CD1-O 3.33Å; I228-T256 HydrophobicContact CD1-CG2 4.48Å |
| 229 | S | 91.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.007 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 126.1 | 173.1 | 67.6 | 0 | 0 | 0 | 0 | 110.9 | C199 V236 T237 C238 | C199-S229 CarbonylContact O-C 3.59Å; C199-S229 WeakPolarHBondContact O-CA 3.44Å; S229-V236 CarbonylContact O-C 3.44Å; S229-V236 WeakPolarHBondContact O-CA 3.3Å; S229-T237 PolarHBondContact O-N 3.43Å; S229-T237 WeakPolarHBondContact OG-CB 3.25Å; S229-C238 PolarHBondContact N-O 2.68Å; S229-C238 VanDerWaalsContact OG-CB 3.29Å; S229-C238 WeakPolarHBondContact OG-CB 3.45Å; S229-C238 PolarHBondContact OG-N 2.82Å; S229-C238 PolarHBondContact OG-O 3.02Å |
| 230 | V | 90.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 131.8 | -171.8 | -175 | 0 | 0 | 0 | 0 | 109.4 | P198 C199 I228 V236 H267 | P198-V230 CarbonylContact C-O 3.42Å; P198-V230 VanDerWaalsContact CA-O 3.26Å; P198-V230 WeakPolarHBondContact CA-O 3.48Å; C199-V230 PolarHBondContact N-O 3.35Å; C199-V230 PolarHBondContact O-N 3.03Å; I228-V230 HydrophobicContact CG2-CG2 3.77Å; V230-V236 HydrophobicContact CG2-CG2 4.49Å; V230-H267 PolarHBondContact O-NE2 3.22Å |
| 231 | T | 89.3 | Confident | 88.6 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 9% | 0.086 | 20% | 0.197 | C | C | . | . | trans | -85.1 | 167.6 | 172.3 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | P198 K233 G234 T235 | P198-T231 HydrophobicContact CB-CG2 4.16Å; T231-K233 PolarHBondContact O-N 2.88Å; T231-K233 VanDerWaalsContact O-N 3.1Å; T231-G234 WeakPolarHBondContact O-CA 3.45Å; T231-G234 PolarHBondContact O-N 2.9Å; T231-T235 PolarHBondContact N-O 2.97Å; T231-T235 WeakPolarHBondContact OG1-CB 3.41Å; T231-T235 PolarHBondContact OG1-N 2.85Å; T231-T235 PolarHBondContact OG1-O 2.9Å | ||
| 232 | H | 85 | Confident | 88.7 | Confident | 67 Ų | 67 | 36.6 Ų | 36.6 | 31% | 0.31 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -30.7 | 178 | 76.6 | -93.2 | 0 | 0 | 0 | 113.4 | E195 N196 G234 H267 | E195-H232 PolarHBondContact O-ND1 2.93Å; E195-H232 IonicContact OE2-CE1 2.83Å; N196-H232 PolarHBondContact OD1-CE1 2.8Å; N196-H232 PolarHBondContact OD1-ND1 3.17Å; H232-G234 PolarHBondContact O-N 2.68Å; H232-H267 HydrophobicContact CB-CB 4.37Å |
| 233 | K | 84.6 | Confident | 88.5 | Confident | 121 Ų | 121 | 37.6 Ų | 37.6 | 53% | 0.526 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -13.4 | 177.1 | -58.7 | -174.8 | -179.8 | 168.6 | 0 | 112.4 | T231 K264 | T231-K233 PolarHBondContact O-N 2.88Å; T231-K233 VanDerWaalsContact O-N 3.1Å; K233-K264 WeakPolarHBondContact O-CE 3.06Å; K233-K264 PolarHBondContact O-NZ 3.18Å |
| 234 | G | 82.3 | Confident | 88.1 | Confident | 5 Ų | 5 | 38 Ų | 38 | 5% | 0.052 | 23% | 0.231 | C | C | . | . | trans | 80.6 | 21.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T231 H232 K260 | T231-G234 WeakPolarHBondContact O-CA 3.45Å; T231-G234 PolarHBondContact O-N 2.9Å; H232-G234 PolarHBondContact O-N 2.68Å; G234-K260 WeakPolarHBondContact O-CD 3.16Å; G234-K260 WeakPolarHBondContact O-CE 3.48Å | ||
| 235 | T | 87.8 | Confident | 87.8 | Confident | 84 Ų | 84 | 38.7 Ų | 38.7 | 52% | 0.515 | 24% | 0.238 | S | C | . | . | trans | -80.4 | 131.3 | 169.5 | -52.5 | 0 | 0 | 0 | 0 | 107.9 | T231 | T231-T235 PolarHBondContact N-O 2.97Å; T231-T235 WeakPolarHBondContact OG1-CB 3.41Å; T231-T235 PolarHBondContact OG1-N 2.85Å; T231-T235 PolarHBondContact OG1-O 2.9Å | ||
| 236 | V | 88.6 | Confident | 87.6 | Confident | 49 Ų | 49 | 43.3 Ų | 43.3 | 30% | 0.297 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 121.8 | 175.5 | -179 | 0 | 0 | 0 | 0 | 108.2 | I228 S229 V230 V239 T256 | I228-V236 HydrophobicContact CG2-CG1 3.69Å; I228-V236 HydrophobicContact CG2-CG2 4.22Å; S229-V236 CarbonylContact O-C 3.44Å; S229-V236 WeakPolarHBondContact O-CA 3.3Å; V230-V236 HydrophobicContact CG2-CG2 4.49Å; V236-V239 HydrophobicContact CG1-CG2 3.48Å; V236-V239 VanDerWaalsContact CG1-CG2 3.48Å; V236-T256 HydrophobicContact CG2-CG2 4.2Å |
| 237 | T | 85.5 | Confident | 87.3 | Confident | 37 Ų | 37 | 44.6 Ų | 44.6 | 23% | 0.227 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | -45.5 | -179.8 | -61.9 | 0 | 0 | 0 | 0 | 111 | N115 S229 | N115-T237 HydrophobicContact CB-CG2 3.86Å; S229-T237 PolarHBondContact O-N 3.43Å; S229-T237 WeakPolarHBondContact OG-CB 3.25Å |
| 238 | C | 87.1 | Confident | 87.1 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 17% | 0.169 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 141 | -177.5 | -171.2 | 0 | 0 | 0 | 0 | 110 | V112 I228 S229 | V112-C238 HydrophobicContact CG2-CB 4.13Å; I228-C238 WeakPolarHBondContact CA-O 3.44Å; S229-C238 PolarHBondContact N-O 2.68Å; S229-C238 VanDerWaalsContact OG-CB 3.29Å; S229-C238 WeakPolarHBondContact OG-CB 3.45Å; S229-C238 PolarHBondContact OG-N 2.82Å; S229-C238 PolarHBondContact OG-O 3.02Å |
| 239 | V | 90.6 | Very high | 87 | Confident | 71 Ų | 71 | 52.5 Ų | 52.5 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 124.7 | 167.3 | -178.1 | 0 | 0 | 0 | 0 | 107.2 | L226 I227 I228 V236 | L226-V239 HydrophobicContact CD1-CG1 3.51Å; L226-V239 HydrophobicContact CD2-CG1 4.22Å; L226-V239 HydrophobicContact CG-CG1 3.96Å; I227-V239 CarbonylContact O-C 3.59Å; I227-V239 WeakPolarHBondContact O-CA 3.4Å; I228-V239 HydrophobicContact CG2-CG2 4.4Å; V236-V239 HydrophobicContact CG1-CG2 3.48Å; V236-V239 VanDerWaalsContact CG1-CG2 3.48Å |
| 240 | R | 90.4 | Very high | 86.9 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 23% | 0.226 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 123.8 | 178.7 | -178.2 | 176.6 | -178.2 | 159.9 | -1.7 | 109.8 | E104 T108 I227 V242 | E104-R240 IonicContact OE2-NH2 3.94Å; T108-R240 PolarHBondContact OG1-NH1 2.91Å; I227-R240 HydrophobicContact CB-CB 4.4Å; I227-R240 PolarHBondContact N-O 2.8Å; I227-R240 PolarHBondContact O-N 2.89Å; R240-V242 HydrophobicContact CG-CG2 4.17Å |
| 241 | K | 90.9 | Very high | 86.7 | Confident | 90 Ų | 90 | 61.2 Ų | 61.2 | 39% | 0.391 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 132.4 | 169.8 | -176.4 | -93.5 | -173.8 | 167.3 | 0 | 109.6 | S225 L226 G243 G245 | S225-K241 CarbonylContact O-C 3.5Å; S225-K241 WeakPolarHBondContact O-CA 3.09Å; L226-K241 HydrophobicContact CD1-CB 4.1Å; K241-G243 WeakPolarHBondContact CE-O 3.35Å; K241-G243 PolarHBondContact NZ-O 2.71Å; K241-G245 VanDerWaalsContact CE-O 3.22Å; K241-G245 WeakPolarHBondContact CE-O 3.42Å; K241-G245 PolarHBondContact NZ-O 2.92Å |
| 242 | V | 87.7 | Confident | 86.8 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 14% | 0.139 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 150.7 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 108.3 | S225 I227 R240 | S225-V242 PolarHBondContact N-O 3.46Å; S225-V242 PolarHBondContact O-N 3.18Å; S225-V242 VanDerWaalsContact O-O 3.09Å; I227-V242 HydrophobicContact CD1-CB 4.45Å; I227-V242 HydrophobicContact CD1-CG2 3.53Å; I227-V242 HydrophobicContact CG1-CG2 4.2Å; R240-V242 HydrophobicContact CG-CG2 4.17Å |
| 243 | G | 83 | Confident | 87.1 | Confident | 45 Ų | 45 | 67.8 Ų | 67.8 | 46% | 0.464 | 40% | 0.396 | S | S | . | . | S | Bend | trans | 99.7 | 163.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | K241 | K241-G243 WeakPolarHBondContact CE-O 3.35Å; K241-G243 PolarHBondContact NZ-O 2.71Å |
| 244 | G | 77.6 | Confident | 87.4 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 89% | 0.887 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -87.5 | -14.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 245 | G | 84.2 | Confident | 87.9 | Confident | 15 Ų | 15 | 66.5 Ų | 66.5 | 16% | 0.155 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -73.3 | 162.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | V223 K241 | V223-G245 WeakPolarHBondContact O-CA 3.5Å; V223-G245 PolarHBondContact O-N 2.89Å; K241-G245 VanDerWaalsContact CE-O 3.22Å; K241-G245 WeakPolarHBondContact CE-O 3.42Å; K241-G245 PolarHBondContact NZ-O 2.92Å |
| 246 | S | 85.9 | Confident | 88.1 | Confident | 107 Ų | 107 | 64.2 Ų | 64.2 | 75% | 0.748 | 38% | 0.377 | S | S | * | . | trans | -75.5 | 153.6 | 165.9 | 52.3 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 247 | L | 85.9 | Confident | 88.3 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 17% | 0.168 | 39% | 0.391 | C | S | . | . | trans | -135.8 | 126.2 | 176.7 | -171.5 | 62.3 | 0 | 0 | 0 | 109.3 | K205 I252 M255 | K205-L247 HydrophobicContact CB-CD1 4.37Å; K205-L247 HydrophobicContact CD-CD1 3.33Å; K205-L247 HydrophobicContact CG-CD1 4.45Å; L247-I252 HydrophobicContact CD2-CD1 4.06Å; L247-I252 HydrophobicContact CD2-CG1 3.43Å; L247-I252 VanDerWaalsContact CD2-CG1 3.43Å; L247-I252 HydrophobicContact CG-CD1 4.27Å; L247-I252 HydrophobicContact CG-CG1 3.72Å; L247-M255 HydrophobicContact CD1-CE 3.89Å; L247-M255 HydrophobicContact CD1-SD 4.21Å; L247-M255 HydrophobicContact CD2-SD 4.25Å | ||
| 248 | D | 89.1 | Confident | 88.6 | Confident | 83 Ų | 83 | 66.5 Ų | 66.5 | 44% | 0.444 | 38% | 0.382 | S | S | . | . | trans | -66.9 | 138.8 | 177.2 | -49.8 | -79.5 | 0 | 0 | 0 | 110.4 | K205 E250 S251 I252 | K205-D248 IonicContact NZ-OD2 2.82Å; K205-D248 PolarHBondContact NZ-OD2 2.92Å; D248-E250 VanDerWaalsContact C-N 3.26Å; D248-E250 PolarHBondContact O-N 3.21Å; D248-S251 WeakPolarHBondContact O-CB 3.33Å; D248-S251 PolarHBondContact O-N 2.95Å; D248-S251 VanDerWaalsContact O-N 3.13Å; D248-I252 PolarHBondContact O-N 3.2Å | ||
| 249 | P | 88.6 | Confident | 88.8 | Confident | 87 Ų | 87 | 65.3 Ų | 65.3 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -61 | -36.2 | -179 | 24 | -33.1 | 0 | 0 | 0 | 112.3 | S251 I252 F253 | P249-S251 VanDerWaalsContact C-N 3.35Å; P249-S251 PolarHBondContact O-N 3.13Å; P249-I252 WeakPolarHBondContact O-CB 3.47Å; P249-I252 PolarHBondContact O-N 2.9Å; P249-I252 VanDerWaalsContact O-N 3.16Å; P249-F253 WeakPolarHBondContact O-CD2 3.25Å; P249-F253 PolarHBondContact O-N 3.2Å |
| 250 | E | 89.8 | Confident | 88.9 | Confident | 164 Ų | 164 | 66.2 Ų | 66.2 | 77% | 0.766 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.5 | -41.8 | 176.6 | -63.8 | 179.4 | 91.4 | 0 | 0 | 111.6 | D248 I252 F253 E254 | D248-E250 VanDerWaalsContact C-N 3.26Å; D248-E250 PolarHBondContact O-N 3.21Å; E250-I252 VanDerWaalsContact C-N 3.26Å; E250-I252 PolarHBondContact O-N 3.31Å; E250-F253 PolarHBondContact O-N 2.91Å; E250-E254 PolarHBondContact O-N 2.95Å |
| 251 | S | 88 | Confident | 88.9 | Confident | 21 Ų | 21 | 69.6 Ų | 69.6 | 15% | 0.147 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.6 | -30.2 | 175.5 | -61.4 | 0 | 0 | 0 | 0 | 112.6 | K205 D248 P249 E254 M255 | K205-S251 PolarHBondContact NZ-OG 3.22Å; D248-S251 WeakPolarHBondContact O-CB 3.33Å; D248-S251 PolarHBondContact O-N 2.95Å; D248-S251 VanDerWaalsContact O-N 3.13Å; P249-S251 VanDerWaalsContact C-N 3.35Å; P249-S251 PolarHBondContact O-N 3.13Å; S251-E254 PolarHBondContact O-N 3.03Å; S251-M255 WeakPolarHBondContact O-CB 3.24Å; S251-M255 WeakPolarHBondContact O-CG 3.4Å; S251-M255 PolarHBondContact O-N 3.22Å |
| 252 | I | 90.6 | Very high | 88.9 | Confident | 61 Ų | 61 | 65.9 Ų | 65.9 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 176.6 | -63.6 | 171.9 | 0 | 0 | 0 | 110.5 | L226 L247 D248 P249 E250 T256 | L226-I252 HydrophobicContact CD2-CG2 4.2Å; L247-I252 HydrophobicContact CD2-CD1 4.06Å; L247-I252 HydrophobicContact CD2-CG1 3.43Å; L247-I252 VanDerWaalsContact CD2-CG1 3.43Å; L247-I252 HydrophobicContact CG-CD1 4.27Å; L247-I252 HydrophobicContact CG-CG1 3.72Å; D248-I252 PolarHBondContact O-N 3.2Å; P249-I252 WeakPolarHBondContact O-CB 3.47Å; P249-I252 PolarHBondContact O-N 2.9Å; P249-I252 VanDerWaalsContact O-N 3.16Å; E250-I252 VanDerWaalsContact C-N 3.26Å; E250-I252 PolarHBondContact O-N 3.31Å; I252-T256 WeakPolarHBondContact O-CB 3.22Å; I252-T256 PolarHBondContact O-N 3.28Å; I252-T256 PolarHBondContact O-OG1 2.82Å |
| 253 | F | 91.4 | Very high | 89 | Confident | 157 Ų | 157 | 64.8 Ų | 64.8 | 69% | 0.689 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.2 | -46.5 | 177.6 | -72.5 | -71.9 | 0 | 0 | 0 | 111.5 | P249 E250 M255 T256 E257 | P249-F253 WeakPolarHBondContact O-CD2 3.25Å; P249-F253 PolarHBondContact O-N 3.2Å; E250-F253 PolarHBondContact O-N 2.91Å; F253-M255 PolarHBondContact O-N 2.86Å; F253-T256 PolarHBondContact O-N 2.69Å; F253-E257 PolarHBondContact O-N 3.19Å |
| 254 | E | 91.3 | Very high | 89.3 | Confident | 96 Ų | 96 | 67.1 Ų | 67.1 | 45% | 0.449 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 176.6 | -170 | -176.5 | 88 | 0 | 0 | 111.4 | H210 E250 S251 T256 E257 T258 | H210-E254 IonicContact CE1-OE1 3.83Å; H210-E254 PolarHBondContact CE1-OE1 3.29Å; H210-E254 IonicContact ND1-OE1 3.41Å; H210-E254 PolarHBondContact ND1-OE1 3.1Å; E250-E254 PolarHBondContact O-N 2.95Å; S251-E254 PolarHBondContact O-N 3.03Å; E254-T256 VanDerWaalsContact C-N 3.25Å; E254-T256 PolarHBondContact O-N 2.97Å; E254-E257 PolarHBondContact O-N 2.77Å; E254-T258 PolarHBondContact O-N 3.22Å; E254-T258 PolarHBondContact O-OG1 2.87Å |
| 255 | M | 91.4 | Very high | 89.8 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.02 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.2 | -34.4 | 177 | -72.8 | 171.6 | -174.9 | 0 | 0 | 112.7 | L203 K205 H210 L226 I228 L247 S251 F253 G259 | L203-M255 HydrophobicContact CB-CG 4.4Å; L203-M255 HydrophobicContact CD2-CB 4.09Å; L203-M255 HydrophobicContact CD2-CG 4.31Å; L203-M255 WeakPolarHBondContact CD2-O 3.35Å; K205-M255 HydrophobicContact CB-CE 3.66Å; K205-M255 HydrophobicContact CD-CE 3.96Å; K205-M255 HydrophobicContact CG-CE 4.02Å; H210-M255 HydrophobicContact CB-CE 3.64Å; H210-M255 HydrophobicContact CB-CG 3.82Å; L226-M255 HydrophobicContact CB-SD 4.09Å; L226-M255 HydrophobicContact CD2-CB 3.77Å; L226-M255 HydrophobicContact CD2-SD 4.11Å; I228-M255 WeakPolarHBondContact CD1-O 3.33Å; L247-M255 HydrophobicContact CD1-CE 3.89Å; L247-M255 HydrophobicContact CD1-SD 4.21Å; L247-M255 HydrophobicContact CD2-SD 4.25Å; S251-M255 WeakPolarHBondContact O-CB 3.24Å; S251-M255 WeakPolarHBondContact O-CG 3.4Å; S251-M255 PolarHBondContact O-N 3.22Å; F253-M255 PolarHBondContact O-N 2.86Å; M255-G259 PolarHBondContact O-N 3.3Å |
| 256 | T | 92.6 | Very high | 89.9 | Confident | 36 Ų | 36 | 66.3 Ų | 66.3 | 22% | 0.221 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.1 | -38.3 | 178.1 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | I228 V236 I252 F253 E254 K260 | I228-T256 HydrophobicContact CD1-CG2 4.48Å; V236-T256 HydrophobicContact CG2-CG2 4.2Å; I252-T256 WeakPolarHBondContact O-CB 3.22Å; I252-T256 PolarHBondContact O-N 3.28Å; I252-T256 PolarHBondContact O-OG1 2.82Å; F253-T256 PolarHBondContact O-N 2.69Å; E254-T256 VanDerWaalsContact C-N 3.25Å; E254-T256 PolarHBondContact O-N 2.97Å; T256-K260 WeakPolarHBondContact O-CB 3.36Å; T256-K260 PolarHBondContact O-N 3.47Å |
| 257 | E | 92.7 | Very high | 90 | Very high | 126 Ų | 126 | 61.5 Ų | 61.5 | 59% | 0.589 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -66.4 | -47.6 | 174.7 | -170 | 178 | 172.8 | 0 | 0 | 111.6 | F253 E254 K260 R261 | F253-E257 PolarHBondContact O-N 3.19Å; E254-E257 PolarHBondContact O-N 2.77Å; E257-K260 PolarHBondContact O-N 2.89Å; E257-R261 PolarHBondContact O-N 2.96Å; E257-R261 IonicContact OE1-NH2 3.79Å |
| 258 | T | 91.9 | Very high | 89.9 | Confident | 8 Ų | 8 | 63.2 Ų | 63.2 | 5% | 0.049 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59 | -48.7 | 174.5 | -58.1 | 0 | 0 | 0 | 0 | 110.6 | E30 L203 H210 V212 E254 K260 R261 V262 | E30-T258 HydrophobicContact CG-CG2 4.04Å; L203-T258 HydrophobicContact CD2-CG2 3.96Å; H210-T258 WeakPolarHBondContact NE2-CB 3.36Å; H210-T258 PolarHBondContact NE2-OG1 3.1Å; V212-T258 HydrophobicContact CG2-CG2 4.34Å; E254-T258 PolarHBondContact O-N 3.22Å; E254-T258 PolarHBondContact O-OG1 2.87Å; T258-K260 VanDerWaalsContact C-N 3.26Å; T258-K260 PolarHBondContact O-N 3.42Å; T258-R261 WeakPolarHBondContact O-CB 3.43Å; T258-R261 PolarHBondContact O-N 3.05Å; T258-V262 HydrophobicContact CG2-CG2 3.95Å; T258-V262 WeakPolarHBondContact O-CB 3.49Å; T258-V262 VanDerWaalsContact O-CG2 3.23Å; T258-V262 WeakPolarHBondContact O-CG2 3.46Å; T258-V262 PolarHBondContact O-N 2.7Å |
| 259 | G | 91.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.3 | -37.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | M255 G263 | M255-G259 PolarHBondContact O-N 3.3Å; G259-G263 PolarHBondContact O-N 2.69Å |
| 260 | K | 91.9 | Very high | 89.6 | Confident | 90 Ų | 90 | 58.5 Ų | 58.5 | 39% | 0.391 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 174.8 | -179.5 | 178 | 173.7 | 177.1 | 0 | 112.6 | G234 T256 E257 T258 K264 | G234-K260 WeakPolarHBondContact O-CD 3.16Å; G234-K260 WeakPolarHBondContact O-CE 3.48Å; T256-K260 WeakPolarHBondContact O-CB 3.36Å; T256-K260 PolarHBondContact O-N 3.47Å; E257-K260 PolarHBondContact O-N 2.89Å; T258-K260 VanDerWaalsContact C-N 3.26Å; T258-K260 PolarHBondContact O-N 3.42Å; K260-K264 WeakPolarHBondContact O-CG 3.17Å; K260-K264 PolarHBondContact O-N 2.73Å; K260-K264 VanDerWaalsContact O-N 3.16Å |
| 261 | R | 91.6 | Very high | 89.4 | Confident | 130 Ų | 130 | 52.7 Ų | 52.7 | 49% | 0.491 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.7 | -50.6 | 178.3 | -174.4 | -174.2 | -58.9 | 142 | 3.1 | 110.5 | E30 E257 T258 K264 A265 | E30-R261 IonicContact OE1-NH1 2.75Å; E30-R261 PolarHBondContact OE1-NH1 3.03Å; E30-R261 VanDerWaalsContact OE1-NH1 3.15Å; E257-R261 PolarHBondContact O-N 2.96Å; E257-R261 IonicContact OE1-NH2 3.79Å; T258-R261 WeakPolarHBondContact O-CB 3.43Å; T258-R261 PolarHBondContact O-N 3.05Å; R261-K264 PolarHBondContact O-N 3.49Å; R261-A265 PolarHBondContact O-N 2.84Å |
| 262 | V | 91 | Very high | 89.4 | Confident | 12 Ų | 12 | 54.1 Ų | 54.1 | 7% | 0.073 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.2 | -45.8 | -179.6 | 172.7 | 0 | 0 | 0 | 0 | 111 | Y32 V201 V212 T258 K264 A265 L266 | Y32-V262 HydrophobicContact CD2-CG1 4.19Å; Y32-V262 HydrophobicContact CE2-CG1 3.24Å; V201-V262 HydrophobicContact CG1-CB 4.36Å; V201-V262 HydrophobicContact CG1-CG1 3.89Å; V201-V262 HydrophobicContact CG2-CG1 4.14Å; V212-V262 HydrophobicContact CG1-CG1 4.06Å; V212-V262 HydrophobicContact CG2-CG2 4.25Å; T258-V262 HydrophobicContact CG2-CG2 3.95Å; T258-V262 WeakPolarHBondContact O-CB 3.49Å; T258-V262 VanDerWaalsContact O-CG2 3.23Å; T258-V262 WeakPolarHBondContact O-CG2 3.46Å; T258-V262 PolarHBondContact O-N 2.7Å; V262-K264 VanDerWaalsContact C-N 3.33Å; V262-K264 PolarHBondContact O-N 3.23Å; V262-A265 CarbonylContact O-C 3.57Å; V262-A265 WeakPolarHBondContact O-CB 3.47Å; V262-A265 PolarHBondContact O-N 3.34Å; V262-A265 VanDerWaalsContact O-N 3.08Å; V262-L266 PolarHBondContact O-N 3.43Å |
| 263 | G | 89.1 | Confident | 89.1 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | G259 L266 H267 | G259-G263 PolarHBondContact O-N 2.69Å; G263-L266 PolarHBondContact O-N 3.12Å; G263-H267 PolarHBondContact O-CD2 3.31Å; G263-H267 PolarHBondContact O-N 3.35Å; G263-H267 VanDerWaalsContact O-N 3.1Å |
| 264 | K | 89.2 | Confident | 88.8 | Confident | 94 Ų | 94 | 47.7 Ų | 47.7 | 41% | 0.409 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.7 | -41.4 | 173 | -75.9 | -174.6 | 178.7 | -161.4 | 0 | 112.4 | K233 K260 R261 V262 L266 H267 A268 | K233-K264 WeakPolarHBondContact O-CE 3.06Å; K233-K264 PolarHBondContact O-NZ 3.18Å; K260-K264 WeakPolarHBondContact O-CG 3.17Å; K260-K264 PolarHBondContact O-N 2.73Å; K260-K264 VanDerWaalsContact O-N 3.16Å; R261-K264 PolarHBondContact O-N 3.49Å; V262-K264 VanDerWaalsContact C-N 3.33Å; V262-K264 PolarHBondContact O-N 3.23Å; K264-L266 VanDerWaalsContact C-N 3.26Å; K264-L266 PolarHBondContact O-N 3.47Å; K264-H267 PolarHBondContact O-N 2.95Å; K264-A268 PolarHBondContact O-N 3.3Å |
| 265 | A | 88.9 | Confident | 88.5 | Confident | 68 Ų | 68 | 48.8 Ų | 48.8 | 56% | 0.562 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.9 | -29 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R261 V262 P269 | R261-A265 PolarHBondContact O-N 2.84Å; V262-A265 CarbonylContact O-C 3.57Å; V262-A265 WeakPolarHBondContact O-CB 3.47Å; V262-A265 PolarHBondContact O-N 3.34Å; V262-A265 VanDerWaalsContact O-N 3.08Å; A265-P269 WeakPolarHBondContact O-CD 3.25Å; A265-P269 VanDerWaalsContact O-CG 3.23Å; A265-P269 WeakPolarHBondContact O-CG 3.45Å |
| 266 | L | 86.3 | Confident | 88.3 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 9% | 0.089 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -76 | -40 | 175.1 | -117.3 | 162.6 | 0 | 0 | 0 | 112.7 | Y32 M35 V154 V262 G263 K264 A268 P269 L270 | Y32-L266 HydrophobicContact CD2-CD1 4.16Å; Y32-L266 HydrophobicContact CE1-CD1 4.38Å; Y32-L266 HydrophobicContact CE2-CD1 3.39Å; Y32-L266 HydrophobicContact CE2-CG 4.19Å; Y32-L266 WeakPolarHBondContact OH-CD1 3.28Å; M35-L266 HydrophobicContact CE-CD1 4.32Å; M35-L266 HydrophobicContact CE-CD2 4.1Å; M35-L266 HydrophobicContact SD-CD2 4.12Å; V154-L266 HydrophobicContact CG2-CD2 4.11Å; V262-L266 PolarHBondContact O-N 3.43Å; G263-L266 PolarHBondContact O-N 3.12Å; K264-L266 VanDerWaalsContact C-N 3.26Å; K264-L266 PolarHBondContact O-N 3.47Å; L266-A268 PolarHBondContact O-N 3.17Å; L266-P269 WeakPolarHBondContact O-CD 3.5Å; L266-P269 WeakPolarHBondContact O-CG 3.45Å; L266-L270 VanDerWaalsContact O-CB 3.29Å; L266-L270 WeakPolarHBondContact O-CB 3.32Å; L266-L270 PolarHBondContact O-N 3.45Å |
| 267 | H | 86.5 | Confident | 87.6 | Confident | 5 Ų | 5 | 53.8 Ų | 53.8 | 2% | 0.023 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | -177.5 | -86.2 | -61.7 | 0 | 0 | 0 | 114 | K157 V197 C199 V230 H232 G263 K264 M271 | K157-H267 PolarHBondContact NZ-CE1 2.91Å; K157-H267 PolarHBondContact NZ-ND1 2.95Å; V197-H267 PolarHBondContact O-CE1 3.39Å; C199-H267 PolarHBondContact N-CE1 3.46Å; C199-H267 PolarHBondContact N-NE2 3.2Å; C199-H267 PolarHBondContact SG-CE1 2.82Å; V230-H267 PolarHBondContact O-NE2 3.22Å; H232-H267 HydrophobicContact CB-CB 4.37Å; G263-H267 PolarHBondContact O-CD2 3.31Å; G263-H267 PolarHBondContact O-N 3.35Å; G263-H267 VanDerWaalsContact O-N 3.1Å; K264-H267 PolarHBondContact O-N 2.95Å; H267-M271 WeakPolarHBondContact O-CG 3.3Å; H267-M271 PolarHBondContact O-N 3.43Å |
| 268 | A | 84.9 | Confident | 87 | Confident | 68 Ų | 68 | 52.2 Ų | 52.2 | 56% | 0.562 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.3 | -54.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K264 L266 L270 M271 A272 | K264-A268 PolarHBondContact O-N 3.3Å; L266-A268 PolarHBondContact O-N 3.17Å; A268-L270 VanDerWaalsContact C-N 3.34Å; A268-L270 PolarHBondContact O-N 3.25Å; A268-M271 PolarHBondContact O-N 2.98Å; A268-A272 PolarHBondContact O-N 3.11Å; A268-A272 VanDerWaalsContact O-N 3.13Å |
| 269 | P | 86.4 | Confident | 86.4 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 43% | 0.429 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.8 | -35.7 | 177.7 | 27.2 | -34.4 | 0 | 0 | 0 | 111.7 | A265 L266 M271 A272 L273 | A265-P269 WeakPolarHBondContact O-CD 3.25Å; A265-P269 VanDerWaalsContact O-CG 3.23Å; A265-P269 WeakPolarHBondContact O-CG 3.45Å; L266-P269 WeakPolarHBondContact O-CD 3.5Å; L266-P269 WeakPolarHBondContact O-CG 3.45Å; P269-M271 PolarHBondContact O-N 2.96Å; P269-A272 PolarHBondContact O-N 3.35Å; P269-L273 WeakPolarHBondContact O-CB 3.48Å; P269-L273 VanDerWaalsContact O-CG 3.28Å; P269-L273 WeakPolarHBondContact O-CG 3.33Å; P269-L273 PolarHBondContact O-N 3.07Å |
| 270 | L | 85.7 | Confident | 85.7 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.9 | -49.3 | 177.2 | 179 | 62.3 | 0 | 0 | 0 | 111.7 | I37 V154 K157 L266 A268 A272 L273 L274 | I37-L270 HydrophobicContact CD1-CD1 3.26Å; V154-L270 HydrophobicContact CG1-CD1 3.8Å; V154-L270 HydrophobicContact CG1-CD2 4.16Å; K157-L270 HydrophobicContact CB-CD2 4.4Å; K157-L270 HydrophobicContact CD-CD2 3.72Å; K157-L270 HydrophobicContact CG-CD2 4.11Å; L266-L270 VanDerWaalsContact O-CB 3.29Å; L266-L270 WeakPolarHBondContact O-CB 3.32Å; L266-L270 PolarHBondContact O-N 3.45Å; A268-L270 VanDerWaalsContact C-N 3.34Å; A268-L270 PolarHBondContact O-N 3.25Å; L270-A272 VanDerWaalsContact C-N 3.34Å; L270-A272 PolarHBondContact O-N 3.38Å; L270-L273 PolarHBondContact O-N 3.24Å; L270-L274 HydrophobicContact CD1-CD1 4.14Å; L270-L274 HydrophobicContact CD1-CG 4.38Å; L270-L274 HydrophobicContact CG-CD1 4.08Å; L270-L274 WeakPolarHBondContact O-CB 3.19Å; L270-L274 VanDerWaalsContact O-CG 3.22Å; L270-L274 WeakPolarHBondContact O-CG 3.48Å; L270-L274 PolarHBondContact O-N 3.45Å |
| 271 | M | 85.2 | Confident | 84.7 | Confident | 42 Ų | 42 | 57.4 Ų | 57.4 | 21% | 0.207 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.7 | -37.8 | 178.3 | -69.9 | -62.8 | -60.2 | 0 | 0 | 112.1 | V194 H267 A268 P269 L274 Q275 | V194-M271 HydrophobicContact CG2-CE 4.48Å; V194-M271 HydrophobicContact CG2-SD 4.41Å; H267-M271 WeakPolarHBondContact O-CG 3.3Å; H267-M271 PolarHBondContact O-N 3.43Å; A268-M271 PolarHBondContact O-N 2.98Å; P269-M271 PolarHBondContact O-N 2.96Å; M271-L274 PolarHBondContact O-N 3.48Å; M271-Q275 WeakPolarHBondContact O-CB 3.42Å; M271-Q275 VanDerWaalsContact O-CG 3.27Å; M271-Q275 WeakPolarHBondContact O-CG 3.12Å; M271-Q275 PolarHBondContact O-N 2.9Å |
| 272 | A | 87.1 | Confident | 83.3 | Confident | 52 Ų | 52 | 60.1 Ų | 60.1 | 43% | 0.43 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A268 P269 L270 Q275 E276 | A268-A272 PolarHBondContact O-N 3.11Å; A268-A272 VanDerWaalsContact O-N 3.13Å; P269-A272 PolarHBondContact O-N 3.35Å; L270-A272 VanDerWaalsContact C-N 3.34Å; L270-A272 PolarHBondContact O-N 3.38Å; A272-Q275 PolarHBondContact O-N 3.37Å; A272-E276 WeakPolarHBondContact O-CB 3.44Å; A272-E276 PolarHBondContact O-N 3.12Å |
| 273 | L | 85.6 | Confident | 81.9 | Confident | 81 Ų | 81 | 68.8 Ų | 68.8 | 42% | 0.424 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.9 | -48 | 176.1 | -73.6 | 169.7 | 0 | 0 | 0 | 111.1 | P269 L270 Q275 E276 E277 | P269-L273 WeakPolarHBondContact O-CB 3.48Å; P269-L273 VanDerWaalsContact O-CG 3.28Å; P269-L273 WeakPolarHBondContact O-CG 3.33Å; P269-L273 PolarHBondContact O-N 3.07Å; L270-L273 PolarHBondContact O-N 3.24Å; L273-Q275 VanDerWaalsContact C-N 3.31Å; L273-Q275 PolarHBondContact O-N 3.39Å; L273-E276 PolarHBondContact O-N 2.94Å; L273-E277 WeakPolarHBondContact O-CG 3.22Å; L273-E277 PolarHBondContact O-N 2.91Å |
| 274 | L | 84.3 | Confident | 80.9 | Confident | 2 Ų | 2 | 73.9 Ų | 73.9 | 1% | 0.01 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61 | -39.3 | 179.2 | -69.9 | 171.8 | 0 | 0 | 0 | 112.5 | T39 A158 F161 L270 M271 E278 | T39-L274 HydrophobicContact CG2-CD2 3.58Å; A158-L274 HydrophobicContact CB-CD2 3.97Å; F161-L274 HydrophobicContact CB-CD1 4.03Å; F161-L274 HydrophobicContact CD1-CB 3.79Å; F161-L274 HydrophobicContact CD1-CD1 4.29Å; F161-L274 HydrophobicContact CD1-CD2 4.04Å; F161-L274 HydrophobicContact CD1-CG 4.25Å; F161-L274 HydrophobicContact CD2-CD1 4.44Å; F161-L274 HydrophobicContact CE1-CB 3.75Å; F161-L274 WeakPolarHBondContact CE1-O 3.49Å; F161-L274 HydrophobicContact CE2-CB 4.49Å; F161-L274 HydrophobicContact CG-CB 4.2Å; F161-L274 HydrophobicContact CG-CD1 4Å; F161-L274 HydrophobicContact CG-CD2 4.48Å; F161-L274 HydrophobicContact CG-CG 4.46Å; F161-L274 HydrophobicContact CZ-CB 4.11Å; L270-L274 HydrophobicContact CD1-CD1 4.14Å; L270-L274 HydrophobicContact CD1-CG 4.38Å; L270-L274 HydrophobicContact CG-CD1 4.08Å; L270-L274 WeakPolarHBondContact O-CB 3.19Å; L270-L274 VanDerWaalsContact O-CG 3.22Å; L270-L274 WeakPolarHBondContact O-CG 3.48Å; L270-L274 PolarHBondContact O-N 3.45Å; M271-L274 PolarHBondContact O-N 3.48Å; L274-E278 PolarHBondContact O-N 3.35Å |
| 275 | Q | 85.8 | Confident | 79.7 | Confident | 119 Ų | 119 | 77.1 Ų | 77.1 | 56% | 0.556 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -69 | -39.4 | 175.1 | -73.8 | 176.2 | -11.2 | 0 | 0 | 112.5 | M271 A272 L273 E278 S279 | M271-Q275 WeakPolarHBondContact O-CB 3.42Å; M271-Q275 VanDerWaalsContact O-CG 3.27Å; M271-Q275 WeakPolarHBondContact O-CG 3.12Å; M271-Q275 PolarHBondContact O-N 2.9Å; A272-Q275 PolarHBondContact O-N 3.37Å; L273-Q275 VanDerWaalsContact C-N 3.31Å; L273-Q275 PolarHBondContact O-N 3.39Å; Q275-E278 PolarHBondContact O-N 3.41Å; Q275-S279 PolarHBondContact O-N 3.04Å |
| 276 | E | 85.3 | Confident | 78.6 | Confident | 120 Ų | 120 | 79.9 Ų | 79.9 | 56% | 0.561 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -63.5 | -46.5 | 175.7 | -171 | 177.8 | 115.6 | 0 | 0 | 110.6 | A272 L273 E278 S279 L280 | A272-E276 WeakPolarHBondContact O-CB 3.44Å; A272-E276 PolarHBondContact O-N 3.12Å; L273-E276 PolarHBondContact O-N 2.94Å; E276-E278 VanDerWaalsContact C-N 3.31Å; E276-E278 PolarHBondContact O-N 3.01Å; E276-S279 WeakPolarHBondContact O-CB 3.36Å; E276-S279 PolarHBondContact O-N 3Å; E276-S279 VanDerWaalsContact O-N 3.08Å; E276-S279 PolarHBondContact O-OG 3.32Å; E276-L280 HydrophobicContact CG-CD1 3.95Å; E276-L280 WeakPolarHBondContact O-CD1 3.42Å; E276-L280 WeakPolarHBondContact O-CG 3.28Å; E276-L280 PolarHBondContact O-N 3.14Å |
| 277 | E | 79.5 | Confident | 77.4 | Confident | 25 Ų | 25 | 82.3 Ų | 82.3 | 12% | 0.117 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -57.6 | -43.2 | 175.3 | -72.4 | -156.4 | 121.3 | 0 | 0 | 112.2 | T39 L273 S279 L280 G281 R284 | T39-E277 WeakPolarHBondContact CG2-OE2 3.32Å; T39-E277 PolarHBondContact OG1-OE2 3.26Å; L273-E277 WeakPolarHBondContact O-CG 3.22Å; L273-E277 PolarHBondContact O-N 2.91Å; E277-S279 VanDerWaalsContact C-N 3.31Å; E277-S279 PolarHBondContact O-N 3.33Å; E277-L280 PolarHBondContact O-N 3Å; E277-G281 PolarHBondContact O-N 3.14Å; E277-R284 IonicContact OE1-CZ 3.22Å; E277-R284 IonicContact OE1-NH1 3.78Å; E277-R284 PolarHBondContact OE1-NH1 3.21Å; E277-R284 IonicContact OE1-NH2 3.87Å |
| 278 | E | 78.7 | Confident | 76 | Confident | 93 Ų | 93 | 83.3 Ų | 83.3 | 44% | 0.435 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 175.7 | -176.1 | 172.5 | 131.8 | 0 | 0 | 112 | F161 R191 L274 Q275 E276 L280 G281 | F161-E278 HydrophobicContact CE1-CB 4.47Å; R191-E278 IonicContact CZ-OE1 3.46Å; R191-E278 IonicContact CZ-OE2 2.79Å; R191-E278 IonicContact NH1-OE1 3.76Å; R191-E278 PolarHBondContact NH1-OE1 3.45Å; R191-E278 IonicContact NH1-OE2 3.84Å; R191-E278 PolarHBondContact NH1-OE2 2.81Å; R191-E278 IonicContact NH2-OE1 3.99Å; R191-E278 IonicContact NH2-OE2 3.79Å; L274-E278 PolarHBondContact O-N 3.35Å; Q275-E278 PolarHBondContact O-N 3.41Å; E276-E278 VanDerWaalsContact C-N 3.31Å; E276-E278 PolarHBondContact O-N 3.01Å; E278-L280 VanDerWaalsContact C-N 3.32Å; E278-L280 PolarHBondContact O-N 2.99Å; E278-G281 PolarHBondContact O-N 3.44Å |
| 279 | S | 79.4 | Confident | 74.7 | Confident | 95 Ų | 95 | 85.9 Ų | 85.9 | 66% | 0.664 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -67 | -32.9 | 178.6 | 80.7 | 0 | 0 | 0 | 0 | 113 | Q275 E276 E277 | Q275-S279 PolarHBondContact O-N 3.04Å; E276-S279 WeakPolarHBondContact O-CB 3.36Å; E276-S279 PolarHBondContact O-N 3Å; E276-S279 VanDerWaalsContact O-N 3.08Å; E276-S279 PolarHBondContact O-OG 3.32Å; E277-S279 VanDerWaalsContact C-N 3.31Å; E277-S279 PolarHBondContact O-N 3.33Å |
| 280 | L | 77.5 | Confident | 73.1 | Confident | 67 Ų | 67 | 89.6 Ų | 89.6 | 35% | 0.351 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -72 | -34.9 | 175.3 | -75.6 | 151.9 | 0 | 0 | 0 | 110.9 | E276 E277 E278 K282 K283 | E276-L280 HydrophobicContact CG-CD1 3.95Å; E276-L280 WeakPolarHBondContact O-CD1 3.42Å; E276-L280 WeakPolarHBondContact O-CG 3.28Å; E276-L280 PolarHBondContact O-N 3.14Å; E277-L280 PolarHBondContact O-N 3Å; E278-L280 VanDerWaalsContact C-N 3.32Å; E278-L280 PolarHBondContact O-N 2.99Å; L280-K282 PolarHBondContact O-N 2.95Å; L280-K283 VanDerWaalsContact O-CB 3.32Å; L280-K283 WeakPolarHBondContact O-CB 3.34Å; L280-K283 PolarHBondContact O-N 3.23Å |
| 281 | G | 71.6 | Confident | 71 | Confident | 44 Ų | 44 | 96.5 Ų | 96.5 | 45% | 0.454 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | 47.9 | -128.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | E277 E278 K283 R284 | E277-G281 PolarHBondContact O-N 3.14Å; E278-G281 PolarHBondContact O-N 3.44Å; G281-K283 PolarHBondContact O-N 3.08Å; G281-K283 VanDerWaalsContact O-N 3.17Å; G281-R284 PolarHBondContact O-N 2.77Å |
| 282 | K | 61.6 | Low | 70.2 | Confident | 188 Ų | 188 | 99.2 Ų | 99.2 | 82% | 0.817 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -69.6 | -5.8 | -178.9 | -63.8 | -177.1 | -177.7 | 177.6 | 0 | 114.9 | L280 | L280-K282 PolarHBondContact O-N 2.95Š|
| 283 | K | 61.6 | Low | 69.4 | Low | 194 Ų | 194 | 101.7 Ų | 101.7 | 84% | 0.843 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -79.8 | -21.5 | 179.8 | -66.2 | 179.2 | 178.5 | 173.2 | 0 | 112.5 | L280 G281 | L280-K283 VanDerWaalsContact O-CB 3.32Å; L280-K283 WeakPolarHBondContact O-CB 3.34Å; L280-K283 PolarHBondContact O-N 3.23Å; G281-K283 PolarHBondContact O-N 3.08Å; G281-K283 VanDerWaalsContact O-N 3.17Å |
| 284 | R | 67.6 | Low | 68.5 | Low | 107 Ų | 107 | 102.8 Ų | 102.8 | 40% | 0.404 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -79.5 | 127 | 176 | -173.1 | 171.7 | 178.5 | 160 | 2.6 | 109.1 | E277 G281 K286 | E277-R284 IonicContact OE1-CZ 3.22Å; E277-R284 IonicContact OE1-NH1 3.78Å; E277-R284 PolarHBondContact OE1-NH1 3.21Å; E277-R284 IonicContact OE1-NH2 3.87Å; G281-R284 PolarHBondContact O-N 2.77Å; R284-K286 PolarHBondContact O-N 3.34Å |
| 285 | Q | 63.4 | Low | 67.5 | Low | 162 Ų | 162 | 108.8 Ų | 108.8 | 76% | 0.757 | 59% | 0.589 | S | S | * | * | trans | -67.9 | 123.9 | 164.1 | -75.3 | -174.6 | -11 | 0 | 0 | 107.7 | V287 | Q285-V287 VanDerWaalsContact C-N 3.31Å; Q285-V287 PolarHBondContact O-N 2.66Å | ||
| 286 | K | 66 | Low | 66.4 | Low | 126 Ų | 126 | 108.1 Ų | 108.1 | 55% | 0.548 | 59% | 0.591 | S | S | . | * | trans | -69.9 | 90.5 | 173.2 | -61.7 | -178.9 | 176.3 | -166.6 | 0 | 108.3 | D40 R284 G288 | D40-K286 PolarHBondContact O-NZ 3.47Å; D40-K286 WeakPolarHBondContact OD1-CE 3.36Å; D40-K286 IonicContact OD1-NZ 2.8Å; D40-K286 PolarHBondContact OD1-NZ 2.86Å; R284-K286 PolarHBondContact O-N 3.34Å; K286-G288 PolarHBondContact O-N 3.25Å; K286-G288 VanDerWaalsContact O-N 3.12Å | ||
| 287 | V | 62.2 | Low | 65.1 | Low | 68 Ų | 68 | 107.3 Ų | 107.3 | 41% | 0.412 | 59% | 0.593 | S | S | . | * | trans | -85.6 | 61.1 | 175 | -83.3 | 0 | 0 | 0 | 0 | 109.7 | Q285 F289 | Q285-V287 VanDerWaalsContact C-N 3.31Å; Q285-V287 PolarHBondContact O-N 2.66Å; V287-F289 PolarHBondContact O-N 2.84Å | ||
| 288 | G | 56.3 | Low | 64.1 | Low | 25 Ų | 25 | 113.2 Ų | 113.2 | 26% | 0.258 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -75.3 | 116.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | M41 K286 L290 | M41-G288 WeakPolarHBondContact SD-CA 3.36Å; K286-G288 PolarHBondContact O-N 3.25Å; K286-G288 VanDerWaalsContact O-N 3.12Å; G288-L290 PolarHBondContact O-N 2.88Å; G288-L290 VanDerWaalsContact O-N 3.14Å |
| 289 | F | 58.4 | Low | 63 | Low | 123 Ų | 123 | 114.8 Ų | 114.8 | 54% | 0.539 | 64% | 0.642 | S | S | . | * | S | Bend | trans | 64.2 | 8.5 | 176.1 | -58.6 | -85.9 | 0 | 0 | 0 | 116.6 | M41 K50 L142 V287 | M41-F289 HydrophobicContact CE-CD2 3.55Å; M41-F289 HydrophobicContact CE-CE1 4.38Å; M41-F289 HydrophobicContact CE-CE2 3.32Å; M41-F289 HydrophobicContact CE-CG 4.18Å; M41-F289 HydrophobicContact CE-CZ 3.78Å; M41-F289 HydrophobicContact SD-CD2 3.63Å; M41-F289 HydrophobicContact SD-CE2 3.49Å; M41-F289 WeakPolarHBondContact SD-CE2 2.86Å; M41-F289 HydrophobicContact SD-CZ 4.45Å; K50-F289 HydrophobicContact CD-CE1 4.24Å; K50-F289 HydrophobicContact CD-CZ 4.17Å; L142-F289 HydrophobicContact CD1-CE1 4Å; L142-F289 HydrophobicContact CD1-CZ 4.25Å; V287-F289 PolarHBondContact O-N 2.84Å |
| 290 | L | 51.8 | Low | 61.6 | Low | 143 Ų | 143 | 116.4 Ų | 116.4 | 75% | 0.749 | 64% | 0.64 | S | S | * | * | trans | -106.3 | 86.8 | 177.4 | -70.6 | 165.9 | 0 | 0 | 0 | 109 | G288 | G288-L290 PolarHBondContact O-N 2.88Å; G288-L290 VanDerWaalsContact O-N 3.14Å | ||
| 291 | G | 41.3 | Very low | 60.2 | Low | 150 Ų | 150 | 120.9 Ų | 120.9 | 100% | 1.546 | 67% | 0.666 | S | S | * | * | trans | -113.5 | 0 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.7 |
Retrieved 291 of 291 residues in 717.8 ms
(Link to these results)