| 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 | 77.9 | Confident | 93.3 | Very high | 152 Ų | 152 | 92 Ų | 92 | 75% | 0.749 | 47% | 0.467 | S | S | * | . | 0 | 122.4 | 0 | -173.2 | 173.4 | -127.2 | 0 | 0 | 107.3 | N52 K54 | M1-N52 WeakPolarHBondContact CA-O 3.46Å; M1-K54 HydrophobicContact CE-CB 4.11Å; M1-K54 HydrophobicContact CG-CB 3.93Å; M1-K54 HydrophobicContact SD-CB 3.88Å; M1-K54 HydrophobicContact SD-CD 4.27Å | |||
| 2 | R | 91 | Very high | 93.2 | Very high | 203 Ų | 203 | 90.8 Ų | 90.8 | 77% | 0.766 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 132.9 | 176.7 | -67 | -179.3 | 179.8 | -179.4 | 0.2 | 108.4 | L53 K54 | R2-L53 HydrophobicContact CB-CD2 3.94Å; R2-L53 WeakPolarHBondContact O-CA 3.49Å; R2-K54 PolarHBondContact O-N 3.09Å |
| 3 | E | 94.9 | Very high | 93.1 | Very high | 144 Ų | 144 | 87.6 Ų | 87.6 | 67% | 0.673 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 130.4 | 175.7 | -55.2 | -162.2 | 147.1 | 0 | 0 | 109.1 | K54 | E3-K54 HydrophobicContact CG-CB 4.32Å; E3-K54 HydrophobicContact CG-CD 4.2Å; E3-K54 WeakPolarHBondContact OE1-CD 3.48Å; E3-K54 IonicContact OE1-NZ 2.76Å; E3-K54 PolarHBondContact OE1-NZ 3.4Å |
| 4 | V | 95.7 | Very high | 93.2 | Very high | 62 Ų | 62 | 84.7 Ų | 84.7 | 38% | 0.376 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 130.9 | -179.2 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | L53 K54 L55 A56 | V4-L53 HydrophobicContact CG2-CD1 4.43Å; V4-L53 HydrophobicContact CG2-CD2 4.15Å; V4-K54 PolarHBondContact N-O 3.42Å; V4-L55 HydrophobicContact CB-CD1 4.2Å; V4-L55 HydrophobicContact CG1-CD1 4.03Å; V4-L55 WeakPolarHBondContact O-CA 3.32Å; V4-A56 PolarHBondContact O-N 2.98Å |
| 5 | E | 95.4 | Very high | 93.1 | Very high | 120 Ų | 120 | 88.5 Ų | 88.5 | 56% | 0.561 | 44% | 0.444 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109 | 123.5 | 173.6 | -169.9 | 179.7 | -164.6 | 0 | 0 | 109.7 | L7 A56 T58 | E5-L7 HydrophobicContact CG-CD2 3.95Å; E5-A56 WeakPolarHBondContact CA-O 3.29Å; E5-T58 PolarHBondContact OE1-OG1 3.36Å |
| 6 | L | 94.5 | Very high | 93 | Very high | 72 Ų | 72 | 85.9 Ų | 85.9 | 38% | 0.377 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 116.7 | 174.3 | -178.5 | 69.5 | 0 | 0 | 0 | 109.4 | L55 A56 V57 T58 | L6-L55 HydrophobicContact CB-CD1 4.01Å; L6-A56 PolarHBondContact N-O 3.3Å; L6-V57 HydrophobicContact CB-CG1 4.46Å; L6-V57 HydrophobicContact CD2-CG1 4.3Å; L6-V57 CarbonylContact O-C 3.54Å; L6-V57 WeakPolarHBondContact O-CA 3.3Å; L6-T58 PolarHBondContact O-N 3.35Å |
| 7 | L | 95.8 | Very high | 93 | Very high | 86 Ų | 86 | 81.4 Ų | 81.4 | 45% | 0.45 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 127.5 | 175.6 | -54 | 178.6 | 0 | 0 | 0 | 109.4 | E5 T58 V60 | E5-L7 HydrophobicContact CG-CD2 3.95Å; L7-T58 HydrophobicContact CD2-CG2 4.29Å; L7-V60 HydrophobicContact CB-CG1 4.22Å; L7-V60 HydrophobicContact CB-CG2 4.37Å; L7-V60 HydrophobicContact CD2-CG1 4.09Å |
| 8 | T | 95.7 | Very high | 93 | Very high | 18 Ų | 18 | 80.9 Ų | 80.9 | 11% | 0.11 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 145.3 | 175.6 | -173.2 | 0 | 0 | 0 | 0 | 110.5 | S10 H14 V57 T58 L59 V60 | T8-S10 PolarHBondContact OG1-N 3.44Å; T8-H14 HydrophobicContact CG2-CB 3.79Å; T8-V57 HydrophobicContact CG2-CG1 4.13Å; T8-T58 PolarHBondContact N-O 2.83Å; T8-L59 CarbonylContact O-C 3.58Å; T8-L59 VanDerWaalsContact O-CA 3.3Å; T8-L59 WeakPolarHBondContact O-CA 3.3Å; T8-L59 WeakPolarHBondContact O-CD1 3.46Å; T8-V60 PolarHBondContact O-N 3.26Å |
| 9 | D | 96.2 | Very high | 92.9 | Very high | 53 Ų | 53 | 78.2 Ų | 78.2 | 28% | 0.283 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -97.1 | -2.2 | 171.5 | 65.6 | -24.4 | 0 | 0 | 0 | 113.3 | A11 V60 S62 N65 | D9-A11 PolarHBondContact O-N 3.21Å; D9-V60 VanDerWaalsContact CA-O 3.25Å; D9-V60 WeakPolarHBondContact CA-O 3.39Å; D9-V60 HydrophobicContact CB-CG2 4.42Å; D9-V60 WeakPolarHBondContact CB-O 3.25Å; D9-S62 WeakPolarHBondContact OD2-CA 3.48Å; D9-S62 VanDerWaalsContact OD2-CB 3.25Å; D9-S62 WeakPolarHBondContact OD2-CB 3.24Å; D9-S62 PolarHBondContact OD2-OG 3.05Å; D9-N65 HydrophobicContact CB-CB 4.17Å; D9-N65 PolarHBondContact OD1-ND2 3.03Å |
| 10 | S | 94.4 | Very high | 92.8 | Very high | 42 Ų | 42 | 75.2 Ų | 75.2 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | trans | -90.6 | 105.8 | 175.5 | 178 | 0 | 0 | 0 | 0 | 110.5 | T8 T12 V13 H14 | T8-S10 PolarHBondContact OG1-N 3.44Å; S10-T12 PolarHBondContact O-N 2.83Å; S10-V13 PolarHBondContact O-N 2.94Å; S10-V13 VanDerWaalsContact O-N 3.09Å; S10-V13 WeakPolarHBondContact OG-CG2 3.46Å; S10-V13 PolarHBondContact OG-N 3.25Å; S10-H14 WeakPolarHBondContact O-CB 3.5Å; S10-H14 PolarHBondContact O-N 2.82Å | ||
| 11 | A | 94.6 | Very high | 92.7 | Very high | 60 Ų | 60 | 74.4 Ų | 74.4 | 50% | 0.496 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -55.5 | -35 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D9 R15 L59 | D9-A11 PolarHBondContact O-N 3.21Å; A11-R15 WeakPolarHBondContact O-CB 3.34Å; A11-R15 PolarHBondContact O-N 3.27Å; A11-L59 HydrophobicContact CB-CD1 4.32Å; A11-L59 HydrophobicContact CB-CD2 4.16Å |
| 12 | T | 92 | Very high | 93.2 | Very high | 77 Ų | 77 | 69.2 Ų | 69.2 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -66.9 | -45.1 | 177.2 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | S10 R15 W16 | S10-T12 PolarHBondContact O-N 2.83Å; T12-R15 PolarHBondContact O-N 3.48Å; T12-W16 HydrophobicContact CG2-CD2 4.06Å; T12-W16 HydrophobicContact CG2-CE3 4.36Å; T12-W16 HydrophobicContact CG2-CH2 3.68Å; T12-W16 HydrophobicContact CG2-CZ2 3.33Å; T12-W16 HydrophobicContact CG2-CZ3 4.19Å; T12-W16 VanDerWaalsContact O-CG 3.3Å; T12-W16 PolarHBondContact O-N 2.92Å |
| 13 | V | 92.4 | Very high | 92.9 | Very high | 50 Ų | 50 | 62.7 Ų | 62.7 | 30% | 0.303 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 178.3 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | S10 R15 W16 I17 | S10-V13 PolarHBondContact O-N 2.94Å; S10-V13 VanDerWaalsContact O-N 3.09Å; S10-V13 WeakPolarHBondContact OG-CG2 3.46Å; S10-V13 PolarHBondContact OG-N 3.25Å; V13-R15 VanDerWaalsContact C-N 3.3Å; V13-R15 PolarHBondContact O-N 2.86Å; V13-W16 HydrophobicContact CG2-CE3 4.38Å; V13-W16 HydrophobicContact CG2-CZ3 4.45Å; V13-W16 PolarHBondContact O-N 3.34Å; V13-W16 VanDerWaalsContact O-N 3.09Å; V13-I17 HydrophobicContact CG1-CG1 4.28Å; V13-I17 WeakPolarHBondContact O-CG1 3.23Å; V13-I17 PolarHBondContact O-N 3.45Å |
| 14 | H | 94.2 | Very high | 91.8 | Very high | 47 Ų | 47 | 64.9 Ų | 64.9 | 22% | 0.218 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -50.2 | -53.1 | 173.2 | 176.9 | -84.2 | 0 | 0 | 0 | 110.7 | T8 S10 W16 I17 E18 V57 L59 | T8-H14 HydrophobicContact CG2-CB 3.79Å; S10-H14 WeakPolarHBondContact O-CB 3.5Å; S10-H14 PolarHBondContact O-N 2.82Å; H14-W16 VanDerWaalsContact C-N 3.34Å; H14-W16 PolarHBondContact O-N 3.44Å; H14-I17 PolarHBondContact O-N 3.43Å; H14-E18 VanDerWaalsContact O-CB 3.22Å; H14-E18 WeakPolarHBondContact O-CB 3.22Å; H14-E18 PolarHBondContact O-N 3.09Å; H14-V57 PolarHBondContact NE2-O 2.97Å; H14-L59 HydrophobicContact CB-CD1 4.31Å; H14-L59 PolarHBondContact CD2-N 3.16Å |
| 15 | R | 91.8 | Very high | 90.5 | Very high | 142 Ų | 142 | 65.2 Ų | 65.2 | 54% | 0.536 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.8 | -43 | 178.3 | -162.9 | -174.7 | 88.5 | 175.2 | 2.4 | 112.4 | A11 T12 V13 D19 | A11-R15 WeakPolarHBondContact O-CB 3.34Å; A11-R15 PolarHBondContact O-N 3.27Å; T12-R15 PolarHBondContact O-N 3.48Å; V13-R15 VanDerWaalsContact C-N 3.3Å; V13-R15 PolarHBondContact O-N 2.86Å; R15-D19 IonicContact NE-OD2 3.71Å; R15-D19 VanDerWaalsContact O-CB 3.23Å; R15-D19 WeakPolarHBondContact O-CB 3.48Å; R15-D19 PolarHBondContact O-N 3.09Å |
| 16 | W | 91.8 | Very high | 89.4 | Confident | 47 Ų | 47 | 69.7 Ų | 69.7 | 18% | 0.178 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.5 | -41.8 | -178.7 | -69.2 | -19.3 | 0 | 0 | 0 | 113.5 | T12 V13 H14 G20 L27 I37 V41 | T12-W16 HydrophobicContact CG2-CD2 4.06Å; T12-W16 HydrophobicContact CG2-CE3 4.36Å; T12-W16 HydrophobicContact CG2-CH2 3.68Å; T12-W16 HydrophobicContact CG2-CZ2 3.33Å; T12-W16 HydrophobicContact CG2-CZ3 4.19Å; T12-W16 VanDerWaalsContact O-CG 3.3Å; T12-W16 PolarHBondContact O-N 2.92Å; V13-W16 HydrophobicContact CG2-CE3 4.38Å; V13-W16 HydrophobicContact CG2-CZ3 4.45Å; V13-W16 PolarHBondContact O-N 3.34Å; V13-W16 VanDerWaalsContact O-N 3.09Å; H14-W16 VanDerWaalsContact C-N 3.34Å; H14-W16 PolarHBondContact O-N 3.44Å; W16-G20 PolarHBondContact O-N 3.43Å; W16-G20 VanDerWaalsContact O-N 3.09Å; W16-L27 HydrophobicContact CB-CD2 3.65Å; W16-L27 VanDerWaalsContact CD1-CD2 3.46Å; W16-L27 HydrophobicContact CG-CD2 3.7Å; W16-I37 HydrophobicContact CD2-CG2 3.88Å; W16-I37 HydrophobicContact CE3-CG2 3.5Å; W16-I37 HydrophobicContact CH2-CD1 3.58Å; W16-I37 HydrophobicContact CH2-CG1 4.1Å; W16-I37 HydrophobicContact CH2-CG2 3.68Å; W16-I37 HydrophobicContact CZ2-CD1 4.2Å; W16-I37 HydrophobicContact CZ2-CG2 4.02Å; W16-I37 HydrophobicContact CZ3-CB 4.43Å; W16-I37 HydrophobicContact CZ3-CD1 4.16Å; W16-I37 HydrophobicContact CZ3-CG1 4.16Å; W16-I37 HydrophobicContact CZ3-CG2 3.41Å; W16-I37 VanDerWaalsContact CZ3-CG2 3.41Å; W16-V41 HydrophobicContact CB-CG2 4.21Å |
| 17 | I | 93.5 | Very high | 88.5 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -72.8 | -42.6 | 178.3 | -54.6 | -59.1 | 0 | 0 | 0 | 110.2 | V13 H14 D19 G20 L21 V41 V44 L55 V57 | V13-I17 HydrophobicContact CG1-CG1 4.28Å; V13-I17 WeakPolarHBondContact O-CG1 3.23Å; V13-I17 PolarHBondContact O-N 3.45Å; H14-I17 PolarHBondContact O-N 3.43Å; I17-D19 PolarHBondContact O-N 3.05Å; I17-G20 PolarHBondContact O-N 3.02Å; I17-G20 VanDerWaalsContact O-N 3.16Å; I17-L21 HydrophobicContact CG2-CD1 3.84Å; I17-L21 HydrophobicContact CG2-CG 4.1Å; I17-L21 WeakPolarHBondContact O-CB 3.34Å; I17-L21 WeakPolarHBondContact O-CG 3.41Å; I17-L21 PolarHBondContact O-N 2.92Å; I17-V41 HydrophobicContact CD1-CB 4.39Å; I17-V41 HydrophobicContact CD1-CG1 3.92Å; I17-V41 HydrophobicContact CD1-CG2 3.97Å; I17-V44 HydrophobicContact CD1-CB 4.4Å; I17-V44 HydrophobicContact CD1-CG1 4.34Å; I17-V44 HydrophobicContact CD1-CG2 4.4Å; I17-L55 HydrophobicContact CG2-CD2 4.32Å; I17-V57 HydrophobicContact CB-CG2 4.05Å; I17-V57 HydrophobicContact CG2-CG2 3.5Å |
| 18 | E | 93.2 | Very high | 87.3 | Confident | 73 Ų | 73 | 73.7 Ų | 73.7 | 34% | 0.341 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 176.6 | -170.1 | 70.3 | -159.8 | 0 | 0 | 111.9 | H14 G20 L21 S22 | H14-E18 VanDerWaalsContact O-CB 3.22Å; H14-E18 WeakPolarHBondContact O-CB 3.22Å; H14-E18 PolarHBondContact O-N 3.09Å; E18-G20 VanDerWaalsContact C-N 3.3Å; E18-G20 PolarHBondContact O-N 3.35Å; E18-L21 PolarHBondContact O-N 2.9Å; E18-S22 VanDerWaalsContact O-CB 3.24Å; E18-S22 WeakPolarHBondContact O-CB 3.45Å; E18-S22 PolarHBondContact O-N 3.36Å; E18-S22 PolarHBondContact O-OG 3.37Å |
| 19 | D | 90.6 | Very high | 86.2 | Confident | 30 Ų | 30 | 74.1 Ų | 74.1 | 16% | 0.16 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.9 | -39.5 | 175.4 | -74.7 | -19.4 | 0 | 0 | 0 | 111.3 | R15 I17 S22 G23 | R15-D19 IonicContact NE-OD2 3.71Å; R15-D19 VanDerWaalsContact O-CB 3.23Å; R15-D19 WeakPolarHBondContact O-CB 3.48Å; R15-D19 PolarHBondContact O-N 3.09Å; I17-D19 PolarHBondContact O-N 3.05Å; D19-S22 PolarHBondContact O-OG 3.4Å; D19-G23 PolarHBondContact O-N 3.36Å |
| 20 | G | 90.1 | Very high | 85.3 | Confident | 18 Ų | 18 | 82 Ų | 82 | 19% | 0.186 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67 | -45.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | W16 I17 E18 G23 | W16-G20 PolarHBondContact O-N 3.43Å; W16-G20 VanDerWaalsContact O-N 3.09Å; I17-G20 PolarHBondContact O-N 3.02Å; I17-G20 VanDerWaalsContact O-N 3.16Å; E18-G20 VanDerWaalsContact C-N 3.3Å; E18-G20 PolarHBondContact O-N 3.35Å; G20-G23 PolarHBondContact O-N 2.91Å |
| 21 | L | 91.4 | Very high | 84.4 | Confident | 59 Ų | 59 | 82.4 Ų | 82.4 | 31% | 0.309 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.3 | -39.8 | 179.1 | -71.6 | 173.7 | 0 | 0 | 0 | 112 | I17 E18 G23 L45 V48 L55 V57 | I17-L21 HydrophobicContact CG2-CD1 3.84Å; I17-L21 HydrophobicContact CG2-CG 4.1Å; I17-L21 WeakPolarHBondContact O-CB 3.34Å; I17-L21 WeakPolarHBondContact O-CG 3.41Å; I17-L21 PolarHBondContact O-N 2.92Å; E18-L21 PolarHBondContact O-N 2.9Å; L21-G23 PolarHBondContact O-N 2.76Å; L21-L45 HydrophobicContact CD2-CD2 3.66Å; L21-L45 HydrophobicContact CG-CD2 4.05Å; L21-V48 HydrophobicContact CD2-CG1 4.3Å; L21-V48 HydrophobicContact CD2-CG2 4.42Å; L21-L55 HydrophobicContact CD1-CB 4.31Å; L21-L55 HydrophobicContact CD1-CD2 4.06Å; L21-L55 HydrophobicContact CD1-CG 4.12Å; L21-L55 HydrophobicContact CD2-CB 4.46Å; L21-L55 HydrophobicContact CD2-CD2 4.33Å; L21-V57 HydrophobicContact CD1-CG2 3.92Å |
| 22 | S | 88.6 | Confident | 83.6 | Confident | 43 Ų | 43 | 84.7 Ų | 84.7 | 30% | 0.301 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -73 | -13.8 | 179.4 | 65 | 0 | 0 | 0 | 0 | 113.4 | E18 D19 R24 | E18-S22 VanDerWaalsContact O-CB 3.24Å; E18-S22 WeakPolarHBondContact O-CB 3.45Å; E18-S22 PolarHBondContact O-N 3.36Å; E18-S22 PolarHBondContact O-OG 3.37Å; D19-S22 PolarHBondContact O-OG 3.4Å; S22-R24 PolarHBondContact O-N 2.84Å; S22-R24 WeakPolarHBondContact OG-CG 3.3Å |
| 23 | G | 84.2 | Confident | 83.2 | Confident | 65 Ų | 65 | 86.1 Ų | 86.1 | 67% | 0.67 | 44% | 0.435 | S | S | * | . | trans | 64.5 | 5.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D19 G20 L21 T25 | D19-G23 PolarHBondContact O-N 3.36Å; G20-G23 PolarHBondContact O-N 2.91Å; L21-G23 PolarHBondContact O-N 2.76Å; G23-T25 PolarHBondContact O-N 3.49Å | ||
| 24 | R | 72.2 | Confident | 82.9 | Confident | 190 Ų | 190 | 83.8 Ų | 83.8 | 72% | 0.717 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -69.6 | -32.9 | -171.8 | -69.2 | 179.1 | -163.1 | 146.9 | 5.7 | 112.5 | S22 | S22-R24 PolarHBondContact O-N 2.84Å; S22-R24 WeakPolarHBondContact OG-CG 3.3Å |
| 25 | T | 67 | Low | 82.6 | Confident | 70 Ų | 70 | 88.9 Ų | 88.9 | 43% | 0.429 | 45% | 0.447 | S | S | . | . | trans | -146.1 | 125 | -172.9 | -49.6 | 0 | 0 | 0 | 0 | 111.4 | G23 L27 | G23-T25 PolarHBondContact O-N 3.49Å; T25-L27 PolarHBondContact O-N 2.7Å | ||
| 26 | R | 72.5 | Confident | 82.5 | Confident | 213 Ų | 213 | 86.7 Ų | 86.7 | 80% | 0.804 | 45% | 0.445 | S | S | * | . | trans | -61.2 | 123.4 | 164.1 | -173.4 | 177.3 | -179 | -164.6 | 0.8 | 108.6 | R28 | R26-R28 PolarHBondContact O-N 3.25Š| ||
| 27 | L | 75.9 | Confident | 82.4 | Confident | 20 Ų | 20 | 86 Ų | 86 | 11% | 0.105 | 45% | 0.445 | C | S | . | . | trans | -49.3 | 106.3 | -177.3 | -75.1 | 166.1 | 0 | 0 | 0 | 113.3 | W16 T25 R38 V41 | W16-L27 HydrophobicContact CB-CD2 3.65Å; W16-L27 VanDerWaalsContact CD1-CD2 3.46Å; W16-L27 HydrophobicContact CG-CD2 3.7Å; T25-L27 PolarHBondContact O-N 2.7Å; L27-R38 HydrophobicContact CB-CG 4.04Å; L27-R38 PolarHBondContact O-NH1 2.81Å; L27-R38 VanDerWaalsContact O-NH1 3.1Å; L27-V41 HydrophobicContact CD1-CB 3.48Å; L27-V41 VanDerWaalsContact CD1-CB 3.48Å; L27-V41 HydrophobicContact CD1-CG1 3.58Å; L27-V41 HydrophobicContact CD1-CG2 3.65Å | ||
| 28 | R | 70.8 | Confident | 82.2 | Confident | 223 Ų | 223 | 89.2 Ų | 89.2 | 84% | 0.842 | 46% | 0.456 | S | S | * | . | trans | -98 | 98.6 | 172.5 | -72.2 | -175.3 | 171.1 | -168.1 | -2.7 | 109.3 | R26 | R26-R28 PolarHBondContact O-N 3.25Š| ||
| 29 | T | 72.3 | Confident | 82.1 | Confident | 26 Ų | 26 | 90.6 Ų | 90.6 | 16% | 0.16 | 47% | 0.465 | C | S | . | . | trans | -117 | 136.1 | 170 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | A31 G34 I37 | T29-A31 WeakPolarHBondContact OG1-CB 3.47Å; T29-A31 PolarHBondContact OG1-N 3.1Å; T29-G34 VanDerWaalsContact CG2-CA 3.49Å; T29-I37 HydrophobicContact CG2-CB 4.48Å | ||
| 30 | K | 77.4 | Confident | 82.2 | Confident | 220 Ų | 220 | 98 Ų | 98 | 96% | 0.957 | 49% | 0.491 | S | S | * | . | trans | -94.5 | 6.2 | 174.9 | -66.9 | -173.5 | 177.4 | -178.1 | 0 | 112.7 | ||||
| 31 | A | 76.8 | Confident | 82.3 | Confident | 50 Ų | 50 | 97.5 Ų | 97.5 | 41% | 0.413 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -63.5 | 146.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | T29 N33 G34 I37 | T29-A31 WeakPolarHBondContact OG1-CB 3.47Å; T29-A31 PolarHBondContact OG1-N 3.1Å; A31-N33 PolarHBondContact O-N 3.21Å; A31-N33 VanDerWaalsContact O-N 3.15Å; A31-G34 WeakPolarHBondContact O-CA 3.41Å; A31-G34 PolarHBondContact O-N 2.95Å; A31-I37 HydrophobicContact CB-CD1 4.11Å |
| 32 | A | 77.8 | Confident | 82.4 | Confident | 108 Ų | 108 | 99.7 Ų | 99.7 | 89% | 0.893 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -37.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G34 | A32-G34 VanDerWaalsContact C-N 3.34Å; A32-G34 PolarHBondContact O-N 3.01Å |
| 33 | N | 82.1 | Confident | 82.7 | Confident | 107 Ų | 107 | 101 Ų | 101 | 57% | 0.572 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | 24.2 | 177 | -62.9 | -18.1 | 0 | 0 | 0 | 113.1 | A31 M35 L36 I37 | A31-N33 PolarHBondContact O-N 3.21Å; A31-N33 VanDerWaalsContact O-N 3.15Å; N33-M35 PolarHBondContact O-N 3.31Å; N33-L36 HydrophobicContact CB-CD1 4.25Å; N33-L36 WeakPolarHBondContact O-CB 3.44Å; N33-L36 PolarHBondContact O-N 3.34Å; N33-I37 PolarHBondContact O-N 3.2Å |
| 34 | G | 85.9 | Confident | 83.2 | Confident | 1 Ų | 1 | 100.1 Ų | 100.1 | 1% | 0.01 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -60.6 | -30.1 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | T29 A31 A32 R38 | T29-G34 VanDerWaalsContact CG2-CA 3.49Å; A31-G34 WeakPolarHBondContact O-CA 3.41Å; A31-G34 PolarHBondContact O-N 2.95Å; A32-G34 VanDerWaalsContact C-N 3.34Å; A32-G34 PolarHBondContact O-N 3.01Å; G34-R38 PolarHBondContact O-N 3.09Å; G34-R38 VanDerWaalsContact O-N 3.14Å |
| 35 | M | 87.9 | Confident | 84.2 | Confident | 154 Ų | 154 | 93.6 Ų | 93.6 | 76% | 0.759 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.2 | -42.2 | 173.6 | -171 | -179.8 | -71.3 | 0 | 0 | 111.9 | N33 I37 R38 L39 | N33-M35 PolarHBondContact O-N 3.31Å; M35-I37 VanDerWaalsContact C-N 3.34Å; M35-I37 PolarHBondContact O-N 2.87Å; M35-R38 PolarHBondContact O-N 3.27Å; M35-L39 PolarHBondContact O-N 3.14Å |
| 36 | L | 91 | Very high | 85.6 | Confident | 96 Ų | 96 | 93.5 Ų | 93.5 | 50% | 0.503 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 177.7 | -65.1 | 176.5 | 0 | 0 | 0 | 111.9 | N33 L39 R40 | N33-L36 HydrophobicContact CB-CD1 4.25Å; N33-L36 WeakPolarHBondContact O-CB 3.44Å; N33-L36 PolarHBondContact O-N 3.34Å; L36-L39 PolarHBondContact O-N 3.12Å; L36-R40 VanDerWaalsContact O-CG 3.32Å; L36-R40 WeakPolarHBondContact O-CG 3.37Å; L36-R40 PolarHBondContact O-N 3.14Å |
| 37 | I | 89.2 | Confident | 86.7 | Confident | 33 Ų | 33 | 86.7 Ų | 86.7 | 17% | 0.169 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 176.1 | -67.3 | 161 | 0 | 0 | 0 | 110.3 | W16 T29 A31 N33 M35 L39 R40 V41 | W16-I37 HydrophobicContact CD2-CG2 3.88Å; W16-I37 HydrophobicContact CE3-CG2 3.5Å; W16-I37 HydrophobicContact CH2-CD1 3.58Å; W16-I37 HydrophobicContact CH2-CG1 4.1Å; W16-I37 HydrophobicContact CH2-CG2 3.68Å; W16-I37 HydrophobicContact CZ2-CD1 4.2Å; W16-I37 HydrophobicContact CZ2-CG2 4.02Å; W16-I37 HydrophobicContact CZ3-CB 4.43Å; W16-I37 HydrophobicContact CZ3-CD1 4.16Å; W16-I37 HydrophobicContact CZ3-CG1 4.16Å; W16-I37 HydrophobicContact CZ3-CG2 3.41Å; W16-I37 VanDerWaalsContact CZ3-CG2 3.41Å; T29-I37 HydrophobicContact CG2-CB 4.48Å; A31-I37 HydrophobicContact CB-CD1 4.11Å; N33-I37 PolarHBondContact O-N 3.2Å; M35-I37 VanDerWaalsContact C-N 3.34Å; M35-I37 PolarHBondContact O-N 2.87Å; I37-L39 PolarHBondContact O-N 3.36Å; I37-R40 PolarHBondContact O-N 3.48Å; I37-V41 WeakPolarHBondContact O-CG2 3.46Å; I37-V41 PolarHBondContact O-N 2.88Å; I37-V41 VanDerWaalsContact O-N 3.08Å |
| 38 | R | 89.1 | Confident | 87.6 | Confident | 75 Ų | 75 | 86.9 Ų | 86.9 | 28% | 0.283 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 176.9 | -78.2 | -175.5 | -87.4 | -101.5 | -0.2 | 111.8 | L27 G34 M35 R40 V41 E42 | L27-R38 HydrophobicContact CB-CG 4.04Å; L27-R38 PolarHBondContact O-NH1 2.81Å; L27-R38 VanDerWaalsContact O-NH1 3.1Å; G34-R38 PolarHBondContact O-N 3.09Å; G34-R38 VanDerWaalsContact O-N 3.14Å; M35-R38 PolarHBondContact O-N 3.27Å; R38-R40 VanDerWaalsContact C-N 3.32Å; R38-R40 PolarHBondContact O-N 2.81Å; R38-V41 PolarHBondContact O-N 2.94Å; R38-E42 WeakPolarHBondContact O-CG 3.49Å; R38-E42 PolarHBondContact O-N 3.05Å |
| 39 | L | 91.4 | Very high | 88.7 | Confident | 101 Ų | 101 | 85 Ų | 85 | 53% | 0.529 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.9 | -44.7 | 178.2 | -175 | 66.6 | 0 | 0 | 0 | 111.8 | M35 L36 I37 V41 E42 T43 | M35-L39 PolarHBondContact O-N 3.14Å; L36-L39 PolarHBondContact O-N 3.12Å; I37-L39 PolarHBondContact O-N 3.36Å; L39-V41 PolarHBondContact O-N 2.99Å; L39-E42 PolarHBondContact O-N 3.15Å; L39-T43 PolarHBondContact O-N 2.82Å; L39-T43 PolarHBondContact O-OG1 3.2Å |
| 40 | R | 93.6 | Very high | 89.9 | Confident | 186 Ų | 186 | 90.2 Ų | 90.2 | 70% | 0.702 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.1 | -40.2 | 178.9 | -73.2 | 176.8 | -179.1 | -144.8 | 0.2 | 112.7 | L36 I37 R38 T43 V44 | L36-R40 VanDerWaalsContact O-CG 3.32Å; L36-R40 WeakPolarHBondContact O-CG 3.37Å; L36-R40 PolarHBondContact O-N 3.14Å; I37-R40 PolarHBondContact O-N 3.48Å; R38-R40 VanDerWaalsContact C-N 3.32Å; R38-R40 PolarHBondContact O-N 2.81Å; R40-T43 WeakPolarHBondContact O-CB 3.48Å; R40-T43 PolarHBondContact O-N 2.9Å; R40-V44 PolarHBondContact O-N 3.47Å |
| 41 | V | 92.1 | Very high | 90.8 | Very high | 8 Ų | 8 | 86.7 Ų | 86.7 | 5% | 0.048 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -69.9 | -40.5 | 176.3 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | W16 I17 L27 I37 R38 L39 T43 V44 L45 | W16-V41 HydrophobicContact CB-CG2 4.21Å; I17-V41 HydrophobicContact CD1-CB 4.39Å; I17-V41 HydrophobicContact CD1-CG1 3.92Å; I17-V41 HydrophobicContact CD1-CG2 3.97Å; L27-V41 HydrophobicContact CD1-CB 3.48Å; L27-V41 VanDerWaalsContact CD1-CB 3.48Å; L27-V41 HydrophobicContact CD1-CG1 3.58Å; L27-V41 HydrophobicContact CD1-CG2 3.65Å; I37-V41 WeakPolarHBondContact O-CG2 3.46Å; I37-V41 PolarHBondContact O-N 2.88Å; I37-V41 VanDerWaalsContact O-N 3.08Å; R38-V41 PolarHBondContact O-N 2.94Å; L39-V41 PolarHBondContact O-N 2.99Å; V41-T43 VanDerWaalsContact C-N 3.26Å; V41-T43 PolarHBondContact O-N 3.22Å; V41-V44 WeakPolarHBondContact O-CB 3.44Å; V41-V44 PolarHBondContact O-N 3.04Å; V41-V44 VanDerWaalsContact O-N 3.08Å; V41-L45 HydrophobicContact CG1-CD1 4.28Å; V41-L45 HydrophobicContact CG1-CG 4.3Å; V41-L45 WeakPolarHBondContact O-CG 3.25Å; V41-L45 PolarHBondContact O-N 3.44Å |
| 42 | E | 93.1 | Very high | 91.6 | Very high | 104 Ų | 104 | 89 Ų | 89 | 49% | 0.486 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.5 | -38.5 | 174.5 | -75.6 | 171.4 | -172.2 | 0 | 0 | 111.9 | R38 L39 L45 S46 | R38-E42 WeakPolarHBondContact O-CG 3.49Å; R38-E42 PolarHBondContact O-N 3.05Å; L39-E42 PolarHBondContact O-N 3.15Å; E42-L45 PolarHBondContact O-N 3.48Å; E42-S46 WeakPolarHBondContact O-CB 3.42Å; E42-S46 PolarHBondContact O-N 3.38Å; E42-S46 PolarHBondContact O-OG 3.36Å |
| 43 | T | 95.4 | Very high | 92.4 | Very high | 72 Ų | 72 | 85.7 Ų | 85.7 | 44% | 0.442 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 171.9 | -54 | 0 | 0 | 0 | 0 | 111.4 | L39 R40 V41 L45 S46 L47 | L39-T43 PolarHBondContact O-N 2.82Å; L39-T43 PolarHBondContact O-OG1 3.2Å; R40-T43 WeakPolarHBondContact O-CB 3.48Å; R40-T43 PolarHBondContact O-N 2.9Å; V41-T43 VanDerWaalsContact C-N 3.26Å; V41-T43 PolarHBondContact O-N 3.22Å; T43-L45 VanDerWaalsContact C-N 3.34Å; T43-L45 PolarHBondContact O-N 2.94Å; T43-S46 WeakPolarHBondContact O-CB 3.43Å; T43-S46 PolarHBondContact O-N 2.74Å; T43-L47 HydrophobicContact CG2-CD1 4.16Å; T43-L47 HydrophobicContact CG2-CG 4.47Å; T43-L47 VanDerWaalsContact O-CG 3.29Å; T43-L47 WeakPolarHBondContact O-CG 3.49Å; T43-L47 PolarHBondContact O-N 3.3Å |
| 44 | V | 94 | Very high | 93 | Very high | 46 Ų | 46 | 86 Ų | 86 | 28% | 0.279 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 177.9 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | I17 R40 V41 S46 L47 V48 L55 | I17-V44 HydrophobicContact CD1-CB 4.4Å; I17-V44 HydrophobicContact CD1-CG1 4.34Å; I17-V44 HydrophobicContact CD1-CG2 4.4Å; R40-V44 PolarHBondContact O-N 3.47Å; V41-V44 WeakPolarHBondContact O-CB 3.44Å; V41-V44 PolarHBondContact O-N 3.04Å; V41-V44 VanDerWaalsContact O-N 3.08Å; V44-S46 VanDerWaalsContact C-N 3.31Å; V44-S46 PolarHBondContact O-N 2.87Å; V44-L47 PolarHBondContact O-N 3.47Å; V44-V48 VanDerWaalsContact O-CG2 3.32Å; V44-V48 WeakPolarHBondContact O-CG2 3.39Å; V44-V48 PolarHBondContact O-N 3.04Å; V44-L55 HydrophobicContact CG1-CD2 4.03Å |
| 45 | L | 93.7 | Very high | 93.5 | Very high | 52 Ų | 52 | 87.4 Ų | 87.4 | 27% | 0.272 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.6 | -37.2 | 178.6 | -62.2 | 178.2 | 0 | 0 | 0 | 112.5 | L21 V41 E42 T43 V48 K49 | L21-L45 HydrophobicContact CD2-CD2 3.66Å; L21-L45 HydrophobicContact CG-CD2 4.05Å; V41-L45 HydrophobicContact CG1-CD1 4.28Å; V41-L45 HydrophobicContact CG1-CG 4.3Å; V41-L45 WeakPolarHBondContact O-CG 3.25Å; V41-L45 PolarHBondContact O-N 3.44Å; E42-L45 PolarHBondContact O-N 3.48Å; T43-L45 VanDerWaalsContact C-N 3.34Å; T43-L45 PolarHBondContact O-N 2.94Å; L45-V48 PolarHBondContact O-N 3.27Å; L45-K49 PolarHBondContact O-N 3.45Å; L45-K49 VanDerWaalsContact O-N 3.09Å |
| 46 | S | 95.3 | Very high | 93.9 | Very high | 68 Ų | 68 | 82.5 Ų | 82.5 | 48% | 0.476 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 177.2 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | E42 T43 V44 K49 E50 | E42-S46 WeakPolarHBondContact O-CB 3.42Å; E42-S46 PolarHBondContact O-N 3.38Å; E42-S46 PolarHBondContact O-OG 3.36Å; T43-S46 WeakPolarHBondContact O-CB 3.43Å; T43-S46 PolarHBondContact O-N 2.74Å; V44-S46 VanDerWaalsContact C-N 3.31Å; V44-S46 PolarHBondContact O-N 2.87Å; S46-K49 PolarHBondContact O-N 3.34Å; S46-E50 VanDerWaalsContact O-CB 3.3Å; S46-E50 WeakPolarHBondContact O-CB 3.46Å; S46-E50 PolarHBondContact O-N 2.97Å |
| 47 | L | 96.1 | Very high | 94.1 | Very high | 70 Ų | 70 | 78.6 Ų | 78.6 | 37% | 0.366 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 176 | -63.7 | 169.6 | 0 | 0 | 0 | 111.9 | T43 V44 K49 E50 Y51 | T43-L47 HydrophobicContact CG2-CD1 4.16Å; T43-L47 HydrophobicContact CG2-CG 4.47Å; T43-L47 VanDerWaalsContact O-CG 3.29Å; T43-L47 WeakPolarHBondContact O-CG 3.49Å; T43-L47 PolarHBondContact O-N 3.3Å; V44-L47 PolarHBondContact O-N 3.47Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 PolarHBondContact O-N 3.44Å; L47-E50 PolarHBondContact O-N 3.08Å; L47-Y51 HydrophobicContact CB-CD2 4.24Å; L47-Y51 HydrophobicContact CB-CE2 4.49Å; L47-Y51 HydrophobicContact CD2-CD2 4.29Å; L47-Y51 HydrophobicContact CD2-CE2 3.7Å; L47-Y51 WeakPolarHBondContact O-CB 3.4Å; L47-Y51 VanDerWaalsContact O-CD2 3.3Å; L47-Y51 WeakPolarHBondContact O-CD2 3.39Å; L47-Y51 PolarHBondContact O-N 3.22Å |
| 48 | V | 94.7 | Very high | 94.4 | Very high | 24 Ų | 24 | 79.4 Ų | 79.4 | 15% | 0.145 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -57.4 | -43.2 | 175.7 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | L21 V44 L45 N52 L53 L55 | L21-V48 HydrophobicContact CD2-CG1 4.3Å; L21-V48 HydrophobicContact CD2-CG2 4.42Å; V44-V48 VanDerWaalsContact O-CG2 3.32Å; V44-V48 WeakPolarHBondContact O-CG2 3.39Å; V44-V48 PolarHBondContact O-N 3.04Å; L45-V48 PolarHBondContact O-N 3.27Å; V48-N52 WeakPolarHBondContact O-CA 3.36Å; V48-N52 PolarHBondContact O-N 3.29Å; V48-L53 HydrophobicContact CG1-CB 4.41Å; V48-L53 WeakPolarHBondContact CG1-O 3.5Å; V48-L53 PolarHBondContact O-N 3.08Å; V48-L55 HydrophobicContact CG1-CB 4.4Å; V48-L55 HydrophobicContact CG2-CB 3.83Å; V48-L55 HydrophobicContact CG2-CD2 3.54Å; V48-L55 HydrophobicContact CG2-CG 4.3Å |
| 49 | K | 94.3 | Very high | 94.8 | Very high | 183 Ų | 183 | 79.9 Ų | 79.9 | 80% | 0.796 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -69.1 | -47.8 | 177.4 | -175.2 | -179.7 | 178.2 | -177.1 | 0 | 112.3 | L45 S46 L47 N52 | L45-K49 PolarHBondContact O-N 3.45Å; L45-K49 VanDerWaalsContact O-N 3.09Å; S46-K49 PolarHBondContact O-N 3.34Å; L47-K49 VanDerWaalsContact C-N 3.26Å; L47-K49 PolarHBondContact O-N 3.44Å; K49-N52 PolarHBondContact O-N 3.25Å |
| 50 | E | 96.3 | Very high | 95.1 | Very high | 137 Ų | 137 | 76.1 Ų | 76.1 | 64% | 0.64 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.5 | -46.4 | -176.5 | -175.5 | 179 | 166 | 0 | 0 | 111.9 | S46 L47 N52 | S46-E50 VanDerWaalsContact O-CB 3.3Å; S46-E50 WeakPolarHBondContact O-CB 3.46Å; S46-E50 PolarHBondContact O-N 2.97Å; L47-E50 PolarHBondContact O-N 3.08Å; E50-N52 VanDerWaalsContact C-N 3.3Å; E50-N52 PolarHBondContact O-N 3.42Å |
| 51 | Y | 96 | Very high | 95.3 | Very high | 145 Ų | 145 | 76.9 Ų | 76.9 | 57% | 0.569 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | 4.3 | -179.6 | -66 | -69.9 | 0 | 0 | 0 | 113.8 | L47 L53 | L47-Y51 HydrophobicContact CB-CD2 4.24Å; L47-Y51 HydrophobicContact CB-CE2 4.49Å; L47-Y51 HydrophobicContact CD2-CD2 4.29Å; L47-Y51 HydrophobicContact CD2-CE2 3.7Å; L47-Y51 WeakPolarHBondContact O-CB 3.4Å; L47-Y51 VanDerWaalsContact O-CD2 3.3Å; L47-Y51 WeakPolarHBondContact O-CD2 3.39Å; L47-Y51 PolarHBondContact O-N 3.22Å; Y51-L53 VanDerWaalsContact C-N 3.31Å; Y51-L53 PolarHBondContact O-N 3.18Å |
| 52 | N | 94.4 | Very high | 95.3 | Very high | 98 Ų | 98 | 80 Ų | 80 | 52% | 0.524 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | 52.9 | -177.6 | -169.6 | 22.7 | 0 | 0 | 0 | 112.2 | M1 V48 K49 E50 | M1-N52 WeakPolarHBondContact CA-O 3.46Å; V48-N52 WeakPolarHBondContact O-CA 3.36Å; V48-N52 PolarHBondContact O-N 3.29Å; K49-N52 PolarHBondContact O-N 3.25Å; E50-N52 VanDerWaalsContact C-N 3.3Å; E50-N52 PolarHBondContact O-N 3.42Å |
| 53 | L | 95.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 80.2 Ų | 80.2 | 20% | 0.204 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 143.8 | -178.2 | -55 | 177.5 | 0 | 0 | 0 | 110.5 | R2 V4 V48 Y51 | R2-L53 HydrophobicContact CB-CD2 3.94Å; R2-L53 WeakPolarHBondContact O-CA 3.49Å; V4-L53 HydrophobicContact CG2-CD1 4.43Å; V4-L53 HydrophobicContact CG2-CD2 4.15Å; V48-L53 HydrophobicContact CG1-CB 4.41Å; V48-L53 WeakPolarHBondContact CG1-O 3.5Å; V48-L53 PolarHBondContact O-N 3.08Å; Y51-L53 VanDerWaalsContact C-N 3.31Å; Y51-L53 PolarHBondContact O-N 3.18Å |
| 54 | K | 95.2 | Very high | 95.2 | Very high | 114 Ų | 114 | 82.6 Ų | 82.6 | 50% | 0.496 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 94.5 | 161.9 | -175.7 | 176.5 | 166.7 | -161.3 | 0 | 107.4 | M1 R2 E3 V4 | M1-K54 HydrophobicContact CE-CB 4.11Å; M1-K54 HydrophobicContact CG-CB 3.93Å; M1-K54 HydrophobicContact SD-CB 3.88Å; M1-K54 HydrophobicContact SD-CD 4.27Å; R2-K54 PolarHBondContact O-N 3.09Å; E3-K54 HydrophobicContact CG-CB 4.32Å; E3-K54 HydrophobicContact CG-CD 4.2Å; E3-K54 WeakPolarHBondContact OE1-CD 3.48Å; E3-K54 IonicContact OE1-NZ 2.76Å; E3-K54 PolarHBondContact OE1-NZ 3.4Å; V4-K54 PolarHBondContact N-O 3.42Å |
| 55 | L | 95.4 | Very high | 95.2 | Very high | 30 Ų | 30 | 81.8 Ų | 81.8 | 16% | 0.157 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 124.4 | -178.6 | -177 | 63.4 | 0 | 0 | 0 | 110.4 | V4 L6 I17 L21 V44 V48 V57 | V4-L55 HydrophobicContact CB-CD1 4.2Å; V4-L55 HydrophobicContact CG1-CD1 4.03Å; V4-L55 WeakPolarHBondContact O-CA 3.32Å; L6-L55 HydrophobicContact CB-CD1 4.01Å; I17-L55 HydrophobicContact CG2-CD2 4.32Å; L21-L55 HydrophobicContact CD1-CB 4.31Å; L21-L55 HydrophobicContact CD1-CD2 4.06Å; L21-L55 HydrophobicContact CD1-CG 4.12Å; L21-L55 HydrophobicContact CD2-CB 4.46Å; L21-L55 HydrophobicContact CD2-CD2 4.33Å; V44-L55 HydrophobicContact CG1-CD2 4.03Å; V48-L55 HydrophobicContact CG1-CB 4.4Å; V48-L55 HydrophobicContact CG2-CB 3.83Å; V48-L55 HydrophobicContact CG2-CD2 3.54Å; V48-L55 HydrophobicContact CG2-CG 4.3Å; L55-V57 HydrophobicContact CG-CG2 4.48Å |
| 56 | A | 95.4 | Very high | 95.1 | Very high | 52 Ų | 52 | 88 Ų | 88 | 43% | 0.43 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 147.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | V4 E5 L6 | V4-A56 PolarHBondContact O-N 2.98Å; E5-A56 WeakPolarHBondContact CA-O 3.29Å; L6-A56 PolarHBondContact N-O 3.3Å |
| 57 | V | 95.4 | Very high | 95 | Very high | 13 Ų | 13 | 87 Ų | 87 | 8% | 0.079 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 128.1 | 177.3 | -164.7 | 0 | 0 | 0 | 0 | 108.8 | L6 T8 H14 I17 L21 L55 | L6-V57 HydrophobicContact CB-CG1 4.46Å; L6-V57 HydrophobicContact CD2-CG1 4.3Å; L6-V57 CarbonylContact O-C 3.54Å; L6-V57 WeakPolarHBondContact O-CA 3.3Å; T8-V57 HydrophobicContact CG2-CG1 4.13Å; H14-V57 PolarHBondContact NE2-O 2.97Å; I17-V57 HydrophobicContact CB-CG2 4.05Å; I17-V57 HydrophobicContact CG2-CG2 3.5Å; L21-V57 HydrophobicContact CD1-CG2 3.92Å; L55-V57 HydrophobicContact CG-CG2 4.48Å |
| 58 | T | 96.9 | Very high | 94.7 | Very high | 51 Ų | 51 | 86.1 Ų | 86.1 | 31% | 0.313 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 126 | -177.2 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | E5 L6 L7 T8 V60 | E5-T58 PolarHBondContact OE1-OG1 3.36Å; L6-T58 PolarHBondContact O-N 3.35Å; L7-T58 HydrophobicContact CD2-CG2 4.29Å; T8-T58 PolarHBondContact N-O 2.83Å; T58-V60 HydrophobicContact CG2-CG1 4.42Å; T58-V60 PolarHBondContact O-N 2.94Å |
| 59 | L | 97.7 | Very high | 94.3 | Very high | 85 Ų | 85 | 88.5 Ų | 88.5 | 45% | 0.445 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 119.1 | 173.2 | -175.5 | 62.8 | 0 | 0 | 0 | 110 | T8 A11 H14 | T8-L59 CarbonylContact O-C 3.58Å; T8-L59 VanDerWaalsContact O-CA 3.3Å; T8-L59 WeakPolarHBondContact O-CA 3.3Å; T8-L59 WeakPolarHBondContact O-CD1 3.46Å; A11-L59 HydrophobicContact CB-CD1 4.32Å; A11-L59 HydrophobicContact CB-CD2 4.16Å; H14-L59 HydrophobicContact CB-CD1 4.31Å; H14-L59 PolarHBondContact CD2-N 3.16Å |
| 60 | V | 97.1 | Very high | 94 | Very high | 21 Ų | 21 | 87.2 Ų | 87.2 | 13% | 0.127 | 47% | 0.467 | C | S | . | . | trans | -113 | 159.3 | 178.2 | -62.1 | 0 | 0 | 0 | 0 | 111.2 | L7 T8 D9 T58 M64 N65 | L7-V60 HydrophobicContact CB-CG1 4.22Å; L7-V60 HydrophobicContact CB-CG2 4.37Å; L7-V60 HydrophobicContact CD2-CG1 4.09Å; T8-V60 PolarHBondContact O-N 3.26Å; D9-V60 VanDerWaalsContact CA-O 3.25Å; D9-V60 WeakPolarHBondContact CA-O 3.39Å; D9-V60 HydrophobicContact CB-CG2 4.42Å; D9-V60 WeakPolarHBondContact CB-O 3.25Å; T58-V60 HydrophobicContact CG2-CG1 4.42Å; T58-V60 PolarHBondContact O-N 2.94Å; V60-M64 HydrophobicContact CB-CB 4.37Å; V60-N65 HydrophobicContact CG2-CB 4.49Å | ||
| 61 | R | 96.6 | Very high | 93.6 | Very high | 203 Ų | 203 | 85.8 Ų | 85.8 | 77% | 0.766 | 47% | 0.467 | S | S | * | . | trans | -68 | 146.1 | 170.4 | -63.6 | -178.2 | -176 | 170 | 1.9 | 109.2 | A63 M64 N65 | R61-A63 PolarHBondContact O-N 3.31Å; R61-A63 VanDerWaalsContact O-N 3.12Å; R61-M64 WeakPolarHBondContact O-CA 3.37Å; R61-M64 WeakPolarHBondContact O-CB 3.3Å; R61-M64 PolarHBondContact O-N 2.75Å; R61-N65 PolarHBondContact O-N 3.46Å | ||
| 62 | S | 93.5 | Very high | 93.2 | Very high | 74 Ų | 74 | 86.6 Ų | 86.6 | 52% | 0.517 | 47% | 0.469 | S | S | . | . | G | 310 helix | trans | -54.3 | -35.3 | 178.5 | -61.6 | 0 | 0 | 0 | 0 | 113.7 | D9 M64 N65 | D9-S62 WeakPolarHBondContact OD2-CA 3.48Å; D9-S62 VanDerWaalsContact OD2-CB 3.25Å; D9-S62 WeakPolarHBondContact OD2-CB 3.24Å; D9-S62 PolarHBondContact OD2-OG 3.05Å; S62-M64 PolarHBondContact O-N 3.11Å; S62-M64 VanDerWaalsContact O-N 3.14Å; S62-N65 WeakPolarHBondContact O-CB 3.26Å; S62-N65 PolarHBondContact O-N 3.07Å |
| 63 | A | 92.4 | Very high | 92.8 | Very high | 107 Ų | 107 | 85.6 Ų | 85.6 | 88% | 0.884 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -62.5 | -19.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R61 | R61-A63 PolarHBondContact O-N 3.31Å; R61-A63 VanDerWaalsContact O-N 3.12Å |
| 64 | M | 93.7 | Very high | 92.4 | Very high | 122 Ų | 122 | 86.3 Ų | 86.3 | 60% | 0.601 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -100.9 | -4.3 | 177.1 | -65.3 | 177.1 | 50.6 | 0 | 0 | 112.9 | V60 R61 S62 K66 | V60-M64 HydrophobicContact CB-CB 4.37Å; R61-M64 WeakPolarHBondContact O-CA 3.37Å; R61-M64 WeakPolarHBondContact O-CB 3.3Å; R61-M64 PolarHBondContact O-N 2.75Å; S62-M64 PolarHBondContact O-N 3.11Å; S62-M64 VanDerWaalsContact O-N 3.14Å; M64-K66 PolarHBondContact O-N 3.03Å |
| 65 | N | 93.4 | Very high | 91.9 | Very high | 30 Ų | 30 | 86.4 Ų | 86.4 | 16% | 0.16 | 48% | 0.484 | C | S | . | . | trans | -74.6 | 92.9 | 178.1 | -177.4 | 5.8 | 0 | 0 | 0 | 110.1 | D9 V60 R61 S62 A67 D68 | D9-N65 HydrophobicContact CB-CB 4.17Å; D9-N65 PolarHBondContact OD1-ND2 3.03Å; V60-N65 HydrophobicContact CG2-CB 4.49Å; R61-N65 PolarHBondContact O-N 3.46Å; S62-N65 WeakPolarHBondContact O-CB 3.26Å; S62-N65 PolarHBondContact O-N 3.07Å; N65-A67 PolarHBondContact O-N 3.15Å; N65-A67 VanDerWaalsContact O-N 3.15Å; N65-A67 VanDerWaalsContact OD1-CB 3.3Å; N65-A67 WeakPolarHBondContact OD1-CB 3.32Å; N65-A67 PolarHBondContact OD1-N 3.02Å; N65-A67 VanDerWaalsContact OD1-N 3.11Å; N65-D68 HydrophobicContact CB-CB 4.47Å; N65-D68 VanDerWaalsContact O-CB 3.26Å; N65-D68 WeakPolarHBondContact O-CB 3.43Å; N65-D68 PolarHBondContact O-N 3.05Å; N65-D68 VanDerWaalsContact O-N 3.07Å | ||
| 66 | K | 91.6 | Very high | 91.5 | Very high | 183 Ų | 183 | 92.7 Ų | 92.7 | 80% | 0.796 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.5 | -25.4 | 179.1 | -64.3 | -178.2 | -178.8 | 177.1 | 0 | 113.2 | M64 D68 | M64-K66 PolarHBondContact O-N 3.03Å; K66-D68 PolarHBondContact O-N 3.2Å |
| 67 | A | 92.7 | Very high | 91 | Very high | 47 Ų | 47 | 99 Ų | 99 | 39% | 0.388 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68 | -28 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N65 A69 L70 T71 | N65-A67 PolarHBondContact O-N 3.15Å; N65-A67 VanDerWaalsContact O-N 3.15Å; N65-A67 VanDerWaalsContact OD1-CB 3.3Å; N65-A67 WeakPolarHBondContact OD1-CB 3.32Å; N65-A67 PolarHBondContact OD1-N 3.02Å; N65-A67 VanDerWaalsContact OD1-N 3.11Å; A67-A69 VanDerWaalsContact C-N 3.31Å; A67-A69 PolarHBondContact O-N 2.72Å; A67-L70 CarbonylContact O-C 3.59Å; A67-L70 WeakPolarHBondContact O-CA 3.41Å; A67-L70 WeakPolarHBondContact O-CB 3.4Å; A67-L70 PolarHBondContact O-N 3.21Å; A67-T71 WeakPolarHBondContact O-CG2 3.31Å; A67-T71 PolarHBondContact O-N 3.04Å; A67-T71 PolarHBondContact O-OG1 3.34Å |
| 68 | D | 89.9 | Confident | 90.4 | Very high | 51 Ų | 51 | 104.1 Ų | 104.1 | 27% | 0.273 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -56.7 | -46.1 | 179.6 | -179.5 | 62.6 | 0 | 0 | 0 | 111.2 | N65 K66 L70 T71 R72 | N65-D68 HydrophobicContact CB-CB 4.47Å; N65-D68 VanDerWaalsContact O-CB 3.26Å; N65-D68 WeakPolarHBondContact O-CB 3.43Å; N65-D68 PolarHBondContact O-N 3.05Å; N65-D68 VanDerWaalsContact O-N 3.07Å; K66-D68 PolarHBondContact O-N 3.2Å; D68-L70 PolarHBondContact O-N 2.96Å; D68-T71 WeakPolarHBondContact CA-OG1 3.45Å; D68-T71 PolarHBondContact O-N 2.67Å; D68-T71 VanDerWaalsContact O-N 3.07Å; D68-T71 PolarHBondContact O-OG1 2.99Å; D68-R72 VanDerWaalsContact O-CG 3.31Å; D68-R72 WeakPolarHBondContact O-CG 3.49Å; D68-R72 PolarHBondContact O-N 3.41Å; D68-R72 IonicContact OD1-CZ 3.74Å; D68-R72 IonicContact OD1-NE 3.65Å; D68-R72 IonicContact OD1-NH2 3.41Å; D68-R72 PolarHBondContact OD1-NH2 3.42Å; D68-R72 IonicContact OD2-CZ 3.08Å; D68-R72 IonicContact OD2-NE 2.72Å; D68-R72 PolarHBondContact OD2-NE 3.07Å; D68-R72 IonicContact OD2-NH2 2.67Å; D68-R72 PolarHBondContact OD2-NH2 2.92Å |
| 69 | A | 86.9 | Confident | 89.7 | Confident | 74 Ų | 74 | 104.6 Ų | 104.6 | 61% | 0.612 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -59 | -31.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A67 | A67-A69 VanDerWaalsContact C-N 3.31Å; A67-A69 PolarHBondContact O-N 2.72Å |
| 70 | L | 87.9 | Confident | 88.5 | Confident | 156 Ų | 156 | 104.8 Ų | 104.8 | 82% | 0.817 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -82.9 | -25 | 178.4 | -58.5 | 177.3 | 0 | 0 | 0 | 112.7 | A67 D68 | A67-L70 CarbonylContact O-C 3.59Å; A67-L70 WeakPolarHBondContact O-CA 3.41Å; A67-L70 WeakPolarHBondContact O-CB 3.4Å; A67-L70 PolarHBondContact O-N 3.21Å; D68-L70 PolarHBondContact O-N 2.96Å |
| 71 | T | 88.1 | Confident | 87.2 | Confident | 107 Ų | 107 | 111.2 Ų | 111.2 | 66% | 0.656 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -93.2 | -11.4 | -179.7 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | A67 D68 | A67-T71 WeakPolarHBondContact O-CG2 3.31Å; A67-T71 PolarHBondContact O-N 3.04Å; A67-T71 PolarHBondContact O-OG1 3.34Å; D68-T71 WeakPolarHBondContact CA-OG1 3.45Å; D68-T71 PolarHBondContact O-N 2.67Å; D68-T71 VanDerWaalsContact O-N 3.07Å; D68-T71 PolarHBondContact O-OG1 2.99Å |
| 72 | R | 88.1 | Confident | 85.5 | Confident | 162 Ų | 162 | 106.1 Ų | 106.1 | 61% | 0.611 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -68.2 | 136.2 | 178 | -81.7 | 174.5 | -172.2 | -75.6 | -7.1 | 111.1 | D68 P74 | D68-R72 VanDerWaalsContact O-CG 3.31Å; D68-R72 WeakPolarHBondContact O-CG 3.49Å; D68-R72 PolarHBondContact O-N 3.41Å; D68-R72 IonicContact OD1-CZ 3.74Å; D68-R72 IonicContact OD1-NE 3.65Å; D68-R72 IonicContact OD1-NH2 3.41Å; D68-R72 PolarHBondContact OD1-NH2 3.42Å; D68-R72 IonicContact OD2-CZ 3.08Å; D68-R72 IonicContact OD2-NE 2.72Å; D68-R72 PolarHBondContact OD2-NE 3.07Å; D68-R72 IonicContact OD2-NH2 2.67Å; D68-R72 PolarHBondContact OD2-NH2 2.92Å; R72-P74 WeakPolarHBondContact O-CD 3.47Å |
| 73 | V | 86.5 | Confident | 83.8 | Confident | 77 Ų | 77 | 108.7 Ų | 108.7 | 47% | 0.467 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -61.5 | 126.3 | 170.2 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | T75 W77 L78 | V73-T75 PolarHBondContact O-N 2.98Å; V73-W77 HydrophobicContact CG1-CB 3.89Å; V73-W77 HydrophobicContact CG1-CE3 4.07Å; V73-L78 HydrophobicContact CB-CD1 4.43Å; V73-L78 HydrophobicContact CB-CD2 4.24Å; V73-L78 HydrophobicContact CB-CG 4.27Å; V73-L78 HydrophobicContact CG1-CD2 3.79Å; V73-L78 HydrophobicContact CG1-CG 3.84Å |
| 74 | P | 86.2 | Confident | 82 | Confident | 53 Ų | 53 | 111 Ų | 111 | 34% | 0.344 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -53.1 | 132 | 175.4 | -27.3 | 34.6 | 0 | 0 | 0 | 111 | R72 K76 W77 L78 | R72-P74 WeakPolarHBondContact O-CD 3.47Å; P74-K76 HydrophobicContact CB-CG 3.92Å; P74-K76 PolarHBondContact O-N 3.39Å; P74-K76 VanDerWaalsContact O-N 3.08Å; P74-W77 HydrophobicContact CB-CD2 4.24Å; P74-W77 HydrophobicContact CB-CG 4.16Å; P74-W77 HydrophobicContact CG-CD2 3.93Å; P74-W77 HydrophobicContact CG-CE3 4.18Å; P74-W77 HydrophobicContact CG-CG 4.38Å; P74-W77 HydrophobicContact CG-CZ2 4.37Å; P74-W77 HydrophobicContact CG-CZ3 4.48Å; P74-W77 WeakPolarHBondContact O-CA 3.5Å; P74-W77 WeakPolarHBondContact O-CB 3.46Å; P74-W77 PolarHBondContact O-N 2.81Å; P74-L78 PolarHBondContact O-N 3.19Å |
| 75 | T | 84.9 | Confident | 79.8 | Confident | 117 Ų | 117 | 113.1 Ų | 113.1 | 72% | 0.718 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -56.5 | -32.4 | -177.6 | -46.9 | 0 | 0 | 0 | 0 | 112.6 | V73 W77 L78 A79 | V73-T75 PolarHBondContact O-N 2.98Å; T75-W77 PolarHBondContact O-N 3.08Å; T75-L78 CarbonylContact O-C 3.48Å; T75-L78 WeakPolarHBondContact O-CA 3.34Å; T75-L78 WeakPolarHBondContact O-CB 3.47Å; T75-L78 PolarHBondContact O-N 3.24Å; T75-A79 PolarHBondContact O-N 3.33Å |
| 76 | K | 85.9 | Confident | 77.8 | Confident | 161 Ų | 161 | 118.7 Ų | 118.7 | 70% | 0.7 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -60.1 | -26.4 | 173.7 | 62.6 | 173.2 | -176.8 | 178.4 | 0 | 113.9 | P74 | P74-K76 HydrophobicContact CB-CG 3.92Å; P74-K76 PolarHBondContact O-N 3.39Å; P74-K76 VanDerWaalsContact O-N 3.08Å |
| 77 | W | 85.6 | Confident | 75.4 | Confident | 185 Ų | 185 | 115.7 Ų | 115.7 | 70% | 0.701 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -84.5 | -22 | 174.5 | -61.8 | -6.2 | 0 | 0 | 0 | 112.1 | V73 P74 T75 | V73-W77 HydrophobicContact CG1-CB 3.89Å; V73-W77 HydrophobicContact CG1-CE3 4.07Å; P74-W77 HydrophobicContact CB-CD2 4.24Å; P74-W77 HydrophobicContact CB-CG 4.16Å; P74-W77 HydrophobicContact CG-CD2 3.93Å; P74-W77 HydrophobicContact CG-CE3 4.18Å; P74-W77 HydrophobicContact CG-CG 4.38Å; P74-W77 HydrophobicContact CG-CZ2 4.37Å; P74-W77 HydrophobicContact CG-CZ3 4.48Å; P74-W77 WeakPolarHBondContact O-CA 3.5Å; P74-W77 WeakPolarHBondContact O-CB 3.46Å; P74-W77 PolarHBondContact O-N 2.81Å; T75-W77 PolarHBondContact O-N 3.08Å |
| 78 | L | 83.9 | Confident | 73.3 | Confident | 121 Ų | 121 | 118 Ų | 118 | 63% | 0.634 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -86.2 | -15 | 172.6 | -61.8 | 177.4 | 0 | 0 | 0 | 112.4 | V73 P74 T75 A80 | V73-L78 HydrophobicContact CB-CD1 4.43Å; V73-L78 HydrophobicContact CB-CD2 4.24Å; V73-L78 HydrophobicContact CB-CG 4.27Å; V73-L78 HydrophobicContact CG1-CD2 3.79Å; V73-L78 HydrophobicContact CG1-CG 3.84Å; P74-L78 PolarHBondContact O-N 3.19Å; T75-L78 CarbonylContact O-C 3.48Å; T75-L78 WeakPolarHBondContact O-CA 3.34Å; T75-L78 WeakPolarHBondContact O-CB 3.47Å; T75-L78 PolarHBondContact O-N 3.24Å; L78-A80 PolarHBondContact O-N 2.89Å |
| 79 | A | 80.8 | Confident | 71.3 | Confident | 61 Ų | 61 | 120 Ų | 120 | 50% | 0.504 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -58.1 | 123.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | T75 E81 | T75-A79 PolarHBondContact O-N 3.33Å; A79-E81 PolarHBondContact O-N 3Å |
| 80 | A | 72.8 | Confident | 69.7 | Low | 89 Ų | 89 | 120 Ų | 120 | 74% | 0.736 | 67% | 0.669 | S | S | * | * | trans | -54.9 | 118 | 166 | 0 | 0 | 0 | 0 | 0 | 106 | L78 | L78-A80 PolarHBondContact O-N 2.89Š| ||
| 81 | E | 69.4 | Low | 67.8 | Low | 155 Ų | 155 | 118.4 Ų | 118.4 | 72% | 0.724 | 67% | 0.665 | S | S | * | * | trans | -45.7 | 130.3 | 159.4 | -80.1 | -70.2 | 138.6 | 0 | 0 | 105.6 | A79 V83 | A79-E81 PolarHBondContact O-N 3Å; E81-V83 VanDerWaalsContact C-N 3.32Å; E81-V83 PolarHBondContact O-N 2.91Å | ||
| 82 | P | 60.7 | Low | 66.5 | Low | 97 Ų | 97 | 119.7 Ų | 119.7 | 63% | 0.63 | 67% | 0.668 | S | S | * | * | trans | -53.8 | 112.5 | 171.8 | 22.4 | -28.4 | 0 | 0 | 0 | 104.1 | H84 | P82-H84 PolarHBondContact O-N 3.37Š| ||
| 83 | V | 58.6 | Low | 65.5 | Low | 128 Ų | 128 | 114.9 Ų | 114.9 | 78% | 0.776 | 66% | 0.655 | S | S | * | * | trans | -57.4 | 97 | 168.8 | -178.7 | 0 | 0 | 0 | 0 | 101.8 | E81 Q85 | E81-V83 VanDerWaalsContact C-N 3.32Å; E81-V83 PolarHBondContact O-N 2.91Å; V83-Q85 PolarHBondContact O-N 3.29Å | ||
| 84 | H | 54.6 | Low | 65 | Low | 154 Ų | 154 | 115.1 Ų | 115.1 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | trans | -51.4 | 110.1 | 151 | -90.3 | 26.9 | 0 | 0 | 0 | 100.5 | P82 L86 | P82-H84 PolarHBondContact O-N 3.37Å; H84-L86 PolarHBondContact O-N 3.22Å | ||
| 85 | Q | 48.1 | Very low | 64.6 | Low | 168 Ų | 168 | 115.4 Ų | 115.4 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | trans | -51.9 | 91.8 | 153.4 | -82.2 | 175.7 | -47.6 | 0 | 0 | 102.2 | V83 T87 | V83-Q85 PolarHBondContact O-N 3.29Å; Q85-T87 PolarHBondContact O-N 3.24Å | ||
| 86 | L | 50.3 | Low | 64.5 | Low | 147 Ų | 147 | 113.8 Ų | 113.8 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | trans | -53.7 | 92.7 | 143.4 | -81.2 | 158.2 | 0 | 0 | 0 | 100.3 | H84 C88 | H84-L86 PolarHBondContact O-N 3.22Å; L86-C88 PolarHBondContact O-N 2.91Å | ||
| 87 | T | 42.7 | Very low | 64.4 | Low | 120 Ų | 120 | 112.6 Ų | 112.6 | 74% | 0.736 | 64% | 0.643 | S | S | * | * | trans | -62 | 70.9 | 161.6 | -56.7 | 0 | 0 | 0 | 0 | 103.6 | Q85 A89 | Q85-T87 PolarHBondContact O-N 3.24Å; T87-A89 PolarHBondContact O-N 3Å | ||
| 88 | C | 47.6 | Very low | 64.5 | Low | 96 Ų | 96 | 113 Ų | 113 | 65% | 0.649 | 64% | 0.644 | S | S | * | * | trans | -61.7 | 103.2 | 154.2 | -66.9 | 0 | 0 | 0 | 0 | 101.5 | L86 A90 | L86-C88 PolarHBondContact O-N 2.91Å; C88-A90 PolarHBondContact O-N 3.12Å | ||
| 89 | A | 47.8 | Very low | 64.8 | Low | 92 Ų | 92 | 110.5 Ų | 110.5 | 76% | 0.76 | 63% | 0.628 | S | S | * | * | trans | -64.2 | 53.7 | 159 | 0 | 0 | 0 | 0 | 0 | 108.5 | T87 V91 | T87-A89 PolarHBondContact O-N 3Å; A89-V91 VanDerWaalsContact C-N 3.28Å; A89-V91 PolarHBondContact O-N 2.86Å | ||
| 90 | A | 53.2 | Low | 65.2 | Low | 75 Ų | 75 | 111.4 Ų | 111.4 | 62% | 0.62 | 62% | 0.624 | S | S | * | * | trans | -73.4 | 102.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 102.4 | C88 D92 | C88-A90 PolarHBondContact O-N 3.12Å; A90-D92 PolarHBondContact O-N 3.02Å | ||
| 91 | V | 48.5 | Very low | 66.1 | Low | 122 Ų | 122 | 110.3 Ų | 110.3 | 74% | 0.739 | 61% | 0.608 | S | S | * | * | trans | -35.8 | 110.1 | 160.7 | -179.6 | 0 | 0 | 0 | 0 | 105.7 | A89 D93 | A89-V91 VanDerWaalsContact C-N 3.28Å; A89-V91 PolarHBondContact O-N 2.86Å; V91-D93 HydrophobicContact CG1-CB 4.29Å; V91-D93 PolarHBondContact O-N 3.21Å | ||
| 92 | D | 61.5 | Low | 67.2 | Low | 134 Ų | 134 | 108.2 Ų | 108.2 | 72% | 0.717 | 60% | 0.598 | S | S | * | * | trans | -71 | 64.4 | 177.7 | -171.9 | 28.9 | 0 | 0 | 0 | 106.8 | A90 P94 | A90-D92 PolarHBondContact O-N 3.02Å; D92-P94 WeakPolarHBondContact O-CD 3.41Å | ||
| 93 | D | 66.7 | Low | 68.7 | Low | 61 Ų | 61 | 103.7 Ų | 103.7 | 33% | 0.326 | 57% | 0.569 | S | S | . | * | trans | -71.5 | 112.3 | 174.9 | -177.4 | -2.3 | 0 | 0 | 0 | 105.5 | V91 S95 N96 K97 | V91-D93 HydrophobicContact CG1-CB 4.29Å; V91-D93 PolarHBondContact O-N 3.21Å; D93-S95 PolarHBondContact O-N 3.45Å; D93-S95 WeakPolarHBondContact OD1-CB 3.2Å; D93-S95 PolarHBondContact OD1-N 3.04Å; D93-S95 PolarHBondContact OD1-OG 3.22Å; D93-S95 WeakPolarHBondContact OD2-CB 3.49Å; D93-S95 PolarHBondContact OD2-OG 3.33Å; D93-N96 HydrophobicContact CB-CB 4.39Å; D93-N96 WeakPolarHBondContact O-CB 3.43Å; D93-N96 PolarHBondContact O-N 3.22Å; D93-K97 PolarHBondContact O-N 2.85Å | ||
| 94 | P | 75.1 | Confident | 70.4 | Confident | 82 Ų | 82 | 100.1 Ų | 100.1 | 53% | 0.532 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -56 | -21 | 176.9 | 23.3 | -33.5 | 0 | 0 | 0 | 111.9 | D92 R98 | D92-P94 WeakPolarHBondContact O-CD 3.41Å; P94-R98 WeakPolarHBondContact O-CG 3.11Å; P94-R98 PolarHBondContact O-N 2.99Å; P94-R98 VanDerWaalsContact O-N 3.12Å |
| 95 | S | 78.5 | Confident | 72.2 | Confident | 59 Ų | 59 | 98 Ų | 98 | 41% | 0.413 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 172.9 | 94.1 | 0 | 0 | 0 | 0 | 112.3 | D93 K97 R98 F99 | D93-S95 PolarHBondContact O-N 3.45Å; D93-S95 WeakPolarHBondContact OD1-CB 3.2Å; D93-S95 PolarHBondContact OD1-N 3.04Å; D93-S95 PolarHBondContact OD1-OG 3.22Å; D93-S95 WeakPolarHBondContact OD2-CB 3.49Å; D93-S95 PolarHBondContact OD2-OG 3.33Å; S95-K97 PolarHBondContact O-N 3.48Å; S95-R98 PolarHBondContact O-N 3.31Å; S95-F99 WeakPolarHBondContact O-CB 3.49Å; S95-F99 PolarHBondContact O-N 2.85Å |
| 96 | N | 81.9 | Confident | 74.3 | Confident | 82 Ų | 82 | 94.3 Ų | 94.3 | 44% | 0.439 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 178.8 | -74.9 | -23.3 | 0 | 0 | 0 | 111.1 | D93 F99 I100 | D93-N96 HydrophobicContact CB-CB 4.39Å; D93-N96 WeakPolarHBondContact O-CB 3.43Å; D93-N96 PolarHBondContact O-N 3.22Å; N96-F99 PolarHBondContact O-N 2.88Å; N96-I100 WeakPolarHBondContact O-CB 3.3Å; N96-I100 WeakPolarHBondContact O-CD1 3.39Å; N96-I100 WeakPolarHBondContact O-CG1 3.41Å; N96-I100 PolarHBondContact O-N 2.76Å |
| 97 | K | 84.5 | Confident | 76.2 | Confident | 137 Ų | 137 | 89.1 Ų | 89.1 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.6 | -47.8 | 176.8 | -171.5 | 173.7 | -176.5 | 172.9 | 0 | 111.3 | D93 S95 F99 I100 T101 | D93-K97 PolarHBondContact O-N 2.85Å; S95-K97 PolarHBondContact O-N 3.48Å; K97-F99 VanDerWaalsContact C-N 3.34Å; K97-F99 PolarHBondContact O-N 2.7Å; K97-I100 PolarHBondContact O-N 3.04Å; K97-T101 WeakPolarHBondContact O-CB 3.42Å; K97-T101 PolarHBondContact O-N 2.76Å; K97-T101 PolarHBondContact O-OG1 3.31Å |
| 98 | R | 88.1 | Confident | 78.6 | Confident | 193 Ų | 193 | 86 Ų | 86 | 73% | 0.728 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.7 | -43.1 | 176.1 | -74.9 | 176.7 | -178.6 | 170.8 | 2.2 | 111.8 | P94 S95 T101 Q102 | P94-R98 WeakPolarHBondContact O-CG 3.11Å; P94-R98 PolarHBondContact O-N 2.99Å; P94-R98 VanDerWaalsContact O-N 3.12Å; S95-R98 PolarHBondContact O-N 3.31Å; R98-T101 PolarHBondContact O-N 3.24Å; R98-Q102 WeakPolarHBondContact O-CB 3.35Å; R98-Q102 PolarHBondContact O-N 3.33Å |
| 99 | F | 88.9 | Confident | 80.6 | Confident | 68 Ų | 68 | 86.5 Ų | 86.5 | 30% | 0.298 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 178 | -178.7 | -110.5 | 0 | 0 | 0 | 112.1 | S95 N96 K97 T101 Q102 V103 V119 R122 | S95-F99 WeakPolarHBondContact O-CB 3.49Å; S95-F99 PolarHBondContact O-N 2.85Å; N96-F99 PolarHBondContact O-N 2.88Å; K97-F99 VanDerWaalsContact C-N 3.34Å; K97-F99 PolarHBondContact O-N 2.7Å; F99-T101 VanDerWaalsContact C-N 3.33Å; F99-T101 PolarHBondContact O-N 3Å; F99-Q102 PolarHBondContact O-N 3.2Å; F99-V103 HydrophobicContact CD1-CG2 4.49Å; F99-V103 HydrophobicContact CD2-CG2 4.45Å; F99-V103 HydrophobicContact CE1-CG2 4.2Å; F99-V103 HydrophobicContact CE2-CG2 4.15Å; F99-V103 HydrophobicContact CZ-CG2 4.03Å; F99-V103 WeakPolarHBondContact O-CG2 3.28Å; F99-V103 PolarHBondContact O-N 2.96Å; F99-V119 HydrophobicContact CD1-CG1 4.16Å; F99-V119 HydrophobicContact CE1-CB 4.47Å; F99-V119 HydrophobicContact CE1-CG1 3.93Å; F99-R122 HydrophobicContact CE2-CB 4.5Å; F99-R122 HydrophobicContact CZ-CB 3.71Å |
| 100 | I | 90.5 | Very high | 82.6 | Confident | 80 Ų | 80 | 84.6 Ų | 84.6 | 41% | 0.41 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 177.1 | -66 | 164.7 | 0 | 0 | 0 | 110.3 | N96 K97 Q102 V103 H104 T115 V119 | N96-I100 WeakPolarHBondContact O-CB 3.3Å; N96-I100 WeakPolarHBondContact O-CD1 3.39Å; N96-I100 WeakPolarHBondContact O-CG1 3.41Å; N96-I100 PolarHBondContact O-N 2.76Å; K97-I100 PolarHBondContact O-N 3.04Å; I100-Q102 VanDerWaalsContact C-N 3.35Å; I100-Q102 PolarHBondContact O-N 2.9Å; I100-V103 PolarHBondContact O-N 3.48Å; I100-H104 VanDerWaalsContact O-CB 3.3Å; I100-H104 WeakPolarHBondContact O-CB 3.33Å; I100-H104 PolarHBondContact O-N 3.39Å; I100-T115 HydrophobicContact CG2-CG2 4.12Å; I100-V119 HydrophobicContact CB-CG2 4.35Å; I100-V119 HydrophobicContact CG1-CG1 4.17Å; I100-V119 HydrophobicContact CG1-CG2 4Å; I100-V119 HydrophobicContact CG2-CG2 4.4Å |
| 101 | T | 90.4 | Very high | 84.4 | Confident | 67 Ų | 67 | 82.6 Ų | 82.6 | 41% | 0.411 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 177.4 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | K97 R98 F99 H104 H105 | K97-T101 WeakPolarHBondContact O-CB 3.42Å; K97-T101 PolarHBondContact O-N 2.76Å; K97-T101 PolarHBondContact O-OG1 3.31Å; R98-T101 PolarHBondContact O-N 3.24Å; F99-T101 VanDerWaalsContact C-N 3.33Å; F99-T101 PolarHBondContact O-N 3Å; T101-H104 WeakPolarHBondContact O-CB 3.35Å; T101-H104 PolarHBondContact O-N 3.03Å; T101-H105 PolarHBondContact O-CD2 3.47Å; T101-H105 VanDerWaalsContact O-CD2 3.24Å; T101-H105 PolarHBondContact O-N 3.08Å |
| 102 | Q | 92.6 | Very high | 86.3 | Confident | 111 Ų | 111 | 82.9 Ų | 82.9 | 52% | 0.519 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.5 | -48 | 176.9 | -173.9 | 176.1 | 7.6 | 0 | 0 | 111.5 | R98 F99 I100 H104 H105 D106 | R98-Q102 WeakPolarHBondContact O-CB 3.35Å; R98-Q102 PolarHBondContact O-N 3.33Å; F99-Q102 PolarHBondContact O-N 3.2Å; I100-Q102 VanDerWaalsContact C-N 3.35Å; I100-Q102 PolarHBondContact O-N 2.9Å; Q102-H104 VanDerWaalsContact C-N 3.26Å; Q102-H104 PolarHBondContact O-N 3.39Å; Q102-H105 PolarHBondContact O-N 3.43Å; Q102-D106 WeakPolarHBondContact O-CB 3.49Å; Q102-D106 VanDerWaalsContact O-CG 3.25Å; Q102-D106 PolarHBondContact O-N 3.12Å |
| 103 | V | 92.1 | Very high | 87.5 | Confident | 2 Ų | 2 | 87.6 Ų | 87.6 | 1% | 0.012 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -59.9 | -38.7 | 175.8 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | F99 I100 A107 F118 V119 | F99-V103 HydrophobicContact CD1-CG2 4.49Å; F99-V103 HydrophobicContact CD2-CG2 4.45Å; F99-V103 HydrophobicContact CE1-CG2 4.2Å; F99-V103 HydrophobicContact CE2-CG2 4.15Å; F99-V103 HydrophobicContact CZ-CG2 4.03Å; F99-V103 WeakPolarHBondContact O-CG2 3.28Å; F99-V103 PolarHBondContact O-N 2.96Å; I100-V103 PolarHBondContact O-N 3.48Å; V103-A107 WeakPolarHBondContact O-CB 3.2Å; V103-A107 PolarHBondContact O-N 3.46Å; V103-F118 HydrophobicContact CG1-CB 3.41Å; V103-F118 VanDerWaalsContact CG1-CB 3.41Å; V103-V119 HydrophobicContact CB-CG2 3.9Å; V103-V119 HydrophobicContact CG1-CG2 3.85Å; V103-V119 HydrophobicContact CG2-CG2 4.19Å |
| 104 | H | 94.1 | Very high | 88.5 | Confident | 53 Ų | 53 | 91.5 Ų | 91.5 | 25% | 0.245 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 177.3 | -174.2 | 68.3 | 0 | 0 | 0 | 112.6 | I100 T101 Q102 G108 H109 T115 | I100-H104 VanDerWaalsContact O-CB 3.3Å; I100-H104 WeakPolarHBondContact O-CB 3.33Å; I100-H104 PolarHBondContact O-N 3.39Å; T101-H104 WeakPolarHBondContact O-CB 3.35Å; T101-H104 PolarHBondContact O-N 3.03Å; Q102-H104 VanDerWaalsContact C-N 3.26Å; Q102-H104 PolarHBondContact O-N 3.39Å; H104-G108 PolarHBondContact O-N 3.32Å; H104-H109 AromaticContact CD2-CE1 3.74Å; H104-H109 AromaticContact CD2-ND1 3.12Å; H104-H109 PolarHBondContact CD2-ND1 2.7Å; H104-H109 AromaticContact CE1-ND1 3.88Å; H104-H109 AromaticContact NE2-CE1 3.91Å; H104-H109 AromaticContact NE2-CG 3.77Å; H104-H109 AromaticContact NE2-ND1 2.91Å; H104-H109 PolarHBondContact NE2-ND1 2.89Å; H104-H109 PolarHBondContact O-N 2.82Å; H104-T115 HydrophobicContact CB-CG2 3.74Å; H104-T115 PolarHBondContact ND1-OG1 2.94Å |
| 105 | H | 93.6 | Very high | 89.3 | Confident | 109 Ų | 109 | 88 Ų | 88 | 51% | 0.505 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.6 | -48.8 | 175.9 | -83.5 | -70.7 | 0 | 0 | 0 | 112 | T101 Q102 A107 G108 H109 | T101-H105 PolarHBondContact O-CD2 3.47Å; T101-H105 VanDerWaalsContact O-CD2 3.24Å; T101-H105 PolarHBondContact O-N 3.08Å; Q102-H105 PolarHBondContact O-N 3.43Å; H105-A107 PolarHBondContact O-N 3.42Å; H105-G108 PolarHBondContact O-N 2.87Å; H105-H109 AromaticContact CE1-CE1 3.37Å; H105-H109 PolarHBondContact CE1-CE1 3.3Å; H105-H109 AromaticContact CE1-NE2 3.71Å; H105-H109 AromaticContact CG-CE1 3.99Å; H105-H109 AromaticContact ND1-CE1 3.22Å; H105-H109 PolarHBondContact ND1-CE1 3.29Å; H105-H109 AromaticContact ND1-NE2 3.29Å; H105-H109 PolarHBondContact ND1-NE2 2.9Å |
| 106 | D | 91.8 | Very high | 89.8 | Confident | 91 Ų | 91 | 89.2 Ų | 89.2 | 49% | 0.487 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.1 | -34.2 | 179.5 | -72.3 | -1.1 | 0 | 0 | 0 | 112.3 | Q102 G108 R122 | Q102-D106 WeakPolarHBondContact O-CB 3.49Å; Q102-D106 VanDerWaalsContact O-CG 3.25Å; Q102-D106 PolarHBondContact O-N 3.12Å; D106-G108 VanDerWaalsContact C-N 3.35Å; D106-R122 IonicContact OD2-CZ 3.38Å; D106-R122 IonicContact OD2-NH1 2.76Å; D106-R122 PolarHBondContact OD2-NH1 2.67Å; D106-R122 IonicContact OD2-NH2 3.04Å; D106-R122 PolarHBondContact OD2-NH2 2.62Å |
| 107 | A | 90.8 | Very high | 90.2 | Very high | 38 Ų | 38 | 90.3 Ų | 90.3 | 31% | 0.314 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 0.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V103 H105 P110 F118 | V103-A107 WeakPolarHBondContact O-CB 3.2Å; V103-A107 PolarHBondContact O-N 3.46Å; H105-A107 PolarHBondContact O-N 3.42Å; A107-P110 HydrophobicContact CB-CG 3.93Å; A107-F118 HydrophobicContact CB-CD2 3.56Å; A107-F118 HydrophobicContact CB-CE2 3.64Å |
| 108 | G | 92 | Very high | 90.4 | Very high | 55 Ų | 55 | 86.3 Ų | 86.3 | 57% | 0.567 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | H104 H105 D106 | H104-G108 PolarHBondContact O-N 3.32Å; H105-G108 PolarHBondContact O-N 2.87Å; D106-G108 VanDerWaalsContact C-N 3.35Å |
| 109 | H | 91 | Very high | 90.5 | Very high | 105 Ų | 105 | 78.3 Ų | 78.3 | 49% | 0.486 | 40% | 0.401 | S | S | . | . | S | Bend | trans | 55.5 | 46.9 | 176 | -57 | -73.1 | 0 | 0 | 0 | 116.1 | H104 H105 G111 | H104-H109 AromaticContact CD2-CE1 3.74Å; H104-H109 AromaticContact CD2-ND1 3.12Å; H104-H109 PolarHBondContact CD2-ND1 2.7Å; H104-H109 AromaticContact CE1-ND1 3.88Å; H104-H109 AromaticContact NE2-CE1 3.91Å; H104-H109 AromaticContact NE2-CG 3.77Å; H104-H109 AromaticContact NE2-ND1 2.91Å; H104-H109 PolarHBondContact NE2-ND1 2.89Å; H104-H109 PolarHBondContact O-N 2.82Å; H105-H109 AromaticContact CE1-CE1 3.37Å; H105-H109 PolarHBondContact CE1-CE1 3.3Å; H105-H109 AromaticContact CE1-NE2 3.71Å; H105-H109 AromaticContact CG-CE1 3.99Å; H105-H109 AromaticContact ND1-CE1 3.22Å; H105-H109 PolarHBondContact ND1-CE1 3.29Å; H105-H109 AromaticContact ND1-NE2 3.29Å; H105-H109 PolarHBondContact ND1-NE2 2.9Å; H109-G111 PolarHBondContact O-N 2.64Å |
| 110 | P | 89.7 | Confident | 90.4 | Very high | 52 Ų | 52 | 82.8 Ų | 82.8 | 34% | 0.338 | 42% | 0.416 | S | S | . | . | trans | -77 | 14.4 | -169.8 | 36.4 | -41 | 0 | 0 | 0 | 114.5 | A107 R114 F118 | A107-P110 HydrophobicContact CB-CG 3.93Å; P110-R114 HydrophobicContact CB-CB 3.7Å; P110-R114 HydrophobicContact CB-CG 3.77Å; P110-R114 HydrophobicContact CG-CB 3.77Å; P110-R114 HydrophobicContact CG-CG 3.95Å; P110-R114 WeakPolarHBondContact O-CB 3.46Å; P110-F118 HydrophobicContact CG-CD2 4.38Å; P110-F118 HydrophobicContact CG-CE2 4.07Å | ||
| 111 | G | 89.4 | Confident | 90.3 | Very high | 33 Ų | 33 | 85.5 Ų | 85.5 | 34% | 0.34 | 42% | 0.421 | S | S | . | . | trans | 81.4 | 173 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | H109 T115 | H109-G111 PolarHBondContact O-N 2.64Å; G111-T115 WeakPolarHBondContact O-CB 3.45Å; G111-T115 PolarHBondContact O-N 3.36Å; G111-T115 PolarHBondContact O-OG1 3.49Å | ||
| 112 | V | 88.8 | Confident | 89.8 | Confident | 128 Ų | 128 | 88.8 Ų | 88.8 | 78% | 0.776 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -62.7 | -51.4 | -168.3 | -179.2 | 0 | 0 | 0 | 0 | 112.6 | R114 T115 L116 | V112-R114 VanDerWaalsContact C-N 3.32Å; V112-R114 PolarHBondContact O-N 3.33Å; V112-T115 PolarHBondContact O-N 2.89Å; V112-L116 PolarHBondContact O-N 3.14Å |
| 113 | R | 87.6 | Confident | 88.5 | Confident | 233 Ų | 233 | 86 Ų | 86 | 88% | 0.879 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -59.3 | -42.1 | -177.2 | -69.8 | -176.2 | 67.9 | -179.5 | 1.8 | 112.4 | Y117 | R113-Y117 PolarHBondContact O-N 3.32Å |
| 114 | R | 87.3 | Confident | 86.7 | Confident | 144 Ų | 144 | 92.1 Ų | 92.1 | 54% | 0.543 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -73.3 | -37.6 | -179.2 | -157 | 101.8 | -168.4 | 162.6 | 3.4 | 111.6 | P110 V112 Y117 F118 | P110-R114 HydrophobicContact CB-CB 3.7Å; P110-R114 HydrophobicContact CB-CG 3.77Å; P110-R114 HydrophobicContact CG-CB 3.77Å; P110-R114 HydrophobicContact CG-CG 3.95Å; P110-R114 WeakPolarHBondContact O-CB 3.46Å; V112-R114 VanDerWaalsContact C-N 3.32Å; V112-R114 PolarHBondContact O-N 3.33Å; R114-Y117 WeakPolarHBondContact O-CB 3.42Å; R114-Y117 PolarHBondContact O-N 3.43Å; R114-F118 HydrophobicContact CB-CE2 4.46Å; R114-F118 HydrophobicContact CG-CD2 4.13Å; R114-F118 HydrophobicContact CG-CE2 3.45Å; R114-F118 VanDerWaalsContact CG-CE2 3.45Å; R114-F118 HydrophobicContact CG-CZ 3.94Å; R114-F118 WeakPolarHBondContact O-CD2 3.41Å; R114-F118 WeakPolarHBondContact O-CG 3.44Å; R114-F118 PolarHBondContact O-N 3.04Å; R114-F118 VanDerWaalsContact O-N 3.08Å |
| 115 | T | 90.9 | Very high | 83.9 | Confident | 7 Ų | 7 | 92.9 Ų | 92.9 | 4% | 0.043 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -60 | -47.5 | 173.9 | -54.7 | 0 | 0 | 0 | 0 | 110.6 | I100 H104 G111 V112 Y117 F118 V119 | I100-T115 HydrophobicContact CG2-CG2 4.12Å; H104-T115 HydrophobicContact CB-CG2 3.74Å; H104-T115 PolarHBondContact ND1-OG1 2.94Å; G111-T115 WeakPolarHBondContact O-CB 3.45Å; G111-T115 PolarHBondContact O-N 3.36Å; G111-T115 PolarHBondContact O-OG1 3.49Å; V112-T115 PolarHBondContact O-N 2.89Å; T115-Y117 VanDerWaalsContact C-N 3.31Å; T115-Y117 PolarHBondContact O-N 3.35Å; T115-F118 PolarHBondContact O-N 2.98Å; T115-F118 VanDerWaalsContact O-N 3.14Å; T115-V119 HydrophobicContact CG2-CG2 4.3Å; T115-V119 VanDerWaalsContact O-CG2 3.28Å; T115-V119 WeakPolarHBondContact O-CG2 3.2Å; T115-V119 PolarHBondContact O-N 2.96Å |
| 116 | L | 89.5 | Confident | 81.3 | Confident | 86 Ų | 86 | 91.6 Ų | 91.6 | 45% | 0.45 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.1 | -42.5 | 176.9 | 180 | 63.3 | 0 | 0 | 0 | 112.4 | V112 F118 V119 R120 | V112-L116 PolarHBondContact O-N 3.14Å; L116-F118 PolarHBondContact O-N 3.07Å; L116-V119 PolarHBondContact O-N 3.17Å; L116-R120 HydrophobicContact CD1-CG 4.45Å; L116-R120 WeakPolarHBondContact O-CG 3.44Å; L116-R120 PolarHBondContact O-N 2.58Å |
| 117 | Y | 90.1 | Very high | 78.8 | Confident | 105 Ų | 105 | 93 Ų | 93 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 175.4 | 172.4 | -99.8 | 0 | 0 | 0 | 112.4 | R113 R114 T115 R121 | R113-Y117 PolarHBondContact O-N 3.32Å; R114-Y117 WeakPolarHBondContact O-CB 3.42Å; R114-Y117 PolarHBondContact O-N 3.43Å; T115-Y117 VanDerWaalsContact C-N 3.31Å; T115-Y117 PolarHBondContact O-N 3.35Å; Y117-R121 WeakPolarHBondContact O-CB 3.5Å; Y117-R121 PolarHBondContact O-N 2.94Å; Y117-R121 PolarHBondContact OH-NH2 2.98Å |
| 118 | F | 89.5 | Confident | 76.6 | Confident | 52 Ų | 52 | 97 Ų | 97 | 23% | 0.228 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -70.1 | -35.8 | 178.2 | -65.4 | -48.6 | 0 | 0 | 0 | 113.1 | V103 A107 P110 R114 T115 L116 R121 R122 | V103-F118 HydrophobicContact CG1-CB 3.41Å; V103-F118 VanDerWaalsContact CG1-CB 3.41Å; A107-F118 HydrophobicContact CB-CD2 3.56Å; A107-F118 HydrophobicContact CB-CE2 3.64Å; P110-F118 HydrophobicContact CG-CD2 4.38Å; P110-F118 HydrophobicContact CG-CE2 4.07Å; R114-F118 HydrophobicContact CB-CE2 4.46Å; R114-F118 HydrophobicContact CG-CD2 4.13Å; R114-F118 HydrophobicContact CG-CE2 3.45Å; R114-F118 VanDerWaalsContact CG-CE2 3.45Å; R114-F118 HydrophobicContact CG-CZ 3.94Å; R114-F118 WeakPolarHBondContact O-CD2 3.41Å; R114-F118 WeakPolarHBondContact O-CG 3.44Å; R114-F118 PolarHBondContact O-N 3.04Å; R114-F118 VanDerWaalsContact O-N 3.08Å; T115-F118 PolarHBondContact O-N 2.98Å; T115-F118 VanDerWaalsContact O-N 3.14Å; L116-F118 PolarHBondContact O-N 3.07Å; F118-R121 PolarHBondContact O-N 2.91Å; F118-R122 WeakPolarHBondContact O-CB 3.14Å; F118-R122 PolarHBondContact O-N 2.68Å |
| 119 | V | 88.9 | Confident | 74 | Confident | 25 Ų | 25 | 103.6 Ų | 103.6 | 15% | 0.152 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -61.7 | -48 | 175 | 167.7 | 0 | 0 | 0 | 0 | 110.1 | F99 I100 V103 T115 L116 R122 G123 | F99-V119 HydrophobicContact CD1-CG1 4.16Å; F99-V119 HydrophobicContact CE1-CB 4.47Å; F99-V119 HydrophobicContact CE1-CG1 3.93Å; I100-V119 HydrophobicContact CB-CG2 4.35Å; I100-V119 HydrophobicContact CG1-CG1 4.17Å; I100-V119 HydrophobicContact CG1-CG2 4Å; I100-V119 HydrophobicContact CG2-CG2 4.4Å; V103-V119 HydrophobicContact CB-CG2 3.9Å; V103-V119 HydrophobicContact CG1-CG2 3.85Å; V103-V119 HydrophobicContact CG2-CG2 4.19Å; T115-V119 HydrophobicContact CG2-CG2 4.3Å; T115-V119 VanDerWaalsContact O-CG2 3.28Å; T115-V119 WeakPolarHBondContact O-CG2 3.2Å; T115-V119 PolarHBondContact O-N 2.96Å; L116-V119 PolarHBondContact O-N 3.17Å; V119-R122 PolarHBondContact O-N 2.86Å; V119-G123 PolarHBondContact O-N 2.74Å |
| 120 | R | 87.5 | Confident | 71.2 | Confident | 163 Ų | 163 | 102.1 Ų | 102.1 | 62% | 0.615 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -59.1 | -49.7 | 176 | -72 | 178.3 | -179.6 | -171.7 | -1.6 | 111.1 | L116 R122 G123 E124 | L116-R120 HydrophobicContact CD1-CG 4.45Å; L116-R120 WeakPolarHBondContact O-CG 3.44Å; L116-R120 PolarHBondContact O-N 2.58Å; R120-R122 VanDerWaalsContact C-N 3.33Å; R120-R122 PolarHBondContact O-N 2.73Å; R120-G123 PolarHBondContact O-N 2.89Å; R120-G123 VanDerWaalsContact O-N 3.17Å; R120-E124 VanDerWaalsContact O-CG 3.24Å; R120-E124 WeakPolarHBondContact O-CG 3.24Å; R120-E124 PolarHBondContact O-N 3.17Å |
| 121 | R | 87.6 | Confident | 68.8 | Low | 136 Ų | 136 | 111 Ų | 111 | 51% | 0.513 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.5 | -37.6 | 178.2 | -179.4 | 179.8 | -81.2 | 179.7 | -17.2 | 114 | Y117 F118 E124 | Y117-R121 WeakPolarHBondContact O-CB 3.5Å; Y117-R121 PolarHBondContact O-N 2.94Å; Y117-R121 PolarHBondContact OH-NH2 2.98Å; F118-R121 PolarHBondContact O-N 2.91Å; R121-E124 WeakPolarHBondContact CA-OE1 3.49Å |
| 122 | R | 80.6 | Confident | 66.4 | Low | 137 Ų | 137 | 112.9 Ų | 112.9 | 52% | 0.517 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -81.8 | -24.5 | 178 | -76.1 | -163.8 | -175.6 | -179.8 | 1.5 | 113.1 | F99 D106 F118 V119 R120 | F99-R122 HydrophobicContact CE2-CB 4.5Å; F99-R122 HydrophobicContact CZ-CB 3.71Å; D106-R122 IonicContact OD2-CZ 3.38Å; D106-R122 IonicContact OD2-NH1 2.76Å; D106-R122 PolarHBondContact OD2-NH1 2.67Å; D106-R122 IonicContact OD2-NH2 3.04Å; D106-R122 PolarHBondContact OD2-NH2 2.62Å; F118-R122 WeakPolarHBondContact O-CB 3.14Å; F118-R122 PolarHBondContact O-N 2.68Å; V119-R122 PolarHBondContact O-N 2.86Å; R120-R122 VanDerWaalsContact C-N 3.33Å; R120-R122 PolarHBondContact O-N 2.73Å |
| 123 | G | 66.1 | Low | 63.6 | Low | 52 Ų | 52 | 110.7 Ų | 110.7 | 54% | 0.536 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -91.8 | 6.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V119 R120 G125 | V119-G123 PolarHBondContact O-N 2.74Å; R120-G123 PolarHBondContact O-N 2.89Å; R120-G123 VanDerWaalsContact O-N 3.17Å; G123-G125 PolarHBondContact O-N 3.18Å |
| 124 | E | 52.8 | Low | 61.2 | Low | 131 Ų | 131 | 108.2 Ų | 108.2 | 61% | 0.612 | 60% | 0.599 | S | S | * | * | trans | -72.8 | 89.4 | -174 | -94.4 | 158.7 | -150.7 | 0 | 0 | 112.8 | R120 R121 A126 | R120-E124 VanDerWaalsContact O-CG 3.24Å; R120-E124 WeakPolarHBondContact O-CG 3.24Å; R120-E124 PolarHBondContact O-N 3.17Å; R121-E124 WeakPolarHBondContact CA-OE1 3.49Å; E124-A126 HydrophobicContact CG-CB 4.46Å | ||
| 125 | G | 37.1 | Very low | 58.6 | Low | 69 Ų | 69 | 109.5 Ų | 109.5 | 71% | 0.711 | 61% | 0.611 | S | S | * | * | -102.1 | 91.8 | 115.9 | 0 | 0 | 0 | 0 | 0 | 107.5 | G123 P127 | G123-G125 PolarHBondContact O-N 3.18Å; G125-P127 WeakPolarHBondContact O-CD 3.43Å | |||
| 126 | A | 37.5 | Very low | 56.6 | Low | 81 Ų | 81 | 116.9 Ų | 116.9 | 67% | 0.669 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -65 | 132 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E124 | E124-A126 HydrophobicContact CG-CB 4.46Š|
| 127 | P | 40.3 | Very low | 54.1 | Low | 121 Ų | 121 | 119.9 Ų | 119.9 | 79% | 0.786 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -90.6 | 116.6 | 149.4 | 13.9 | 4.7 | 0 | 0 | 0 | 108.2 | G125 | G125-P127 WeakPolarHBondContact O-CD 3.43Š|
| 128 | T | 43.7 | Very low | 51.9 | Low | 121 Ų | 121 | 119.1 Ų | 119.1 | 74% | 0.742 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 136.2 | 149.8 | 45 | 0 | 0 | 0 | 0 | 109.8 | ||
| 129 | E | 38.2 | Very low | 49.9 | Very low | 195 Ų | 195 | 122.4 Ų | 122.4 | 91% | 0.911 | 70% | 0.699 | S | S | * | * | trans | 139.8 | 126.6 | 148.4 | -76.2 | 176.6 | -175.8 | 0 | 0 | 113.7 | ||||
| 130 | G | 32.4 | Very low | 47.6 | Very low | 73 Ų | 73 | 126.3 Ų | 126.3 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | trans | 109.3 | 42.9 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 131 | Y | 40 | Very low | 45.9 | Very low | 239 Ų | 239 | 124.9 Ų | 124.9 | 94% | 0.937 | 74% | 0.737 | S | S | * | * | trans | -95.1 | 91.1 | 153.1 | -84.5 | -80.8 | 0 | 0 | 0 | 109 | ||||
| 132 | G | 37.2 | Very low | 43.8 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | -54.8 | 133.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 133 | G | 31.3 | Very low | 42 | Very low | 81 Ų | 81 | 130.7 Ų | 130.7 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | -63.4 | 133.9 | -173 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 134 | E | 37 | Very low | 40.7 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | -133.6 | 107.6 | 146.1 | -146.6 | 169.3 | 176.5 | 0 | 0 | 105.9 | I136 | E134-I136 PolarHBondContact O-N 3Š| ||
| 135 | E | 33 | Very low | 40 | Very low | 171 Ų | 171 | 135 Ų | 135 | 80% | 0.799 | 81% | 0.807 | S | S | * | * | trans | -55.6 | 105.6 | 174.3 | -76.5 | -179.8 | 134.5 | 0 | 0 | 109 | H137 | E135-H137 VanDerWaalsContact C-N 3.27Å; E135-H137 PolarHBondContact O-N 3.08Å; E135-H137 VanDerWaalsContact O-N 3.08Å | ||
| 136 | I | 47.3 | Very low | 40.2 | Very low | 162 Ų | 162 | 138.9 Ų | 138.9 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | trans | -82.5 | 89.1 | 162.6 | -42.7 | -180 | 0 | 0 | 0 | 106 | E134 A138 | E134-I136 PolarHBondContact O-N 3Å; I136-A138 PolarHBondContact O-N 3.22Å | ||
| 137 | H | 38 | Very low | 40.4 | Very low | 148 Ų | 148 | 142.5 Ų | 142.5 | 69% | 0.685 | 82% | 0.821 | S | S | * | * | trans | -48.6 | 109.7 | 166.9 | -112.9 | -99 | 0 | 0 | 0 | 108.7 | E135 V139 | E135-H137 VanDerWaalsContact C-N 3.27Å; E135-H137 PolarHBondContact O-N 3.08Å; E135-H137 VanDerWaalsContact O-N 3.08Å; H137-V139 PolarHBondContact O-N 2.95Å | ||
| 138 | A | 43 | Very low | 40.4 | Very low | 90 Ų | 90 | 143.9 Ų | 143.9 | 74% | 0.744 | 82% | 0.824 | S | S | * | * | trans | -67.7 | 96.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108 | I136 S140 | I136-A138 PolarHBondContact O-N 3.22Å; A138-S140 PolarHBondContact O-N 2.96Å; A138-S140 VanDerWaalsContact O-N 3.07Å | ||
| 139 | V | 48.3 | Very low | 40.1 | Very low | 120 Ų | 120 | 145.6 Ų | 145.6 | 73% | 0.727 | 83% | 0.83 | S | S | * | * | trans | -72.7 | 99.1 | 165.2 | -179 | 0 | 0 | 0 | 0 | 106.7 | H137 V141 | H137-V139 PolarHBondContact O-N 2.95Å; V139-V141 HydrophobicContact CG1-CG2 4.37Å; V139-V141 PolarHBondContact O-N 3.03Å | ||
| 140 | S | 41.8 | Very low | 40.3 | Very low | 108 Ų | 108 | 141.8 Ų | 141.8 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | -66.4 | 123.9 | 161.8 | -66.1 | 0 | 0 | 0 | 0 | 107.7 | A138 | A138-S140 PolarHBondContact O-N 2.96Å; A138-S140 VanDerWaalsContact O-N 3.07Å | ||
| 141 | V | 50.1 | Low | 40.9 | Very low | 132 Ų | 132 | 147.5 Ų | 147.5 | 80% | 0.8 | 83% | 0.829 | S | S | * | * | trans | -99.8 | 102 | 167.8 | -176.5 | 0 | 0 | 0 | 0 | 106.1 | V139 | V139-V141 HydrophobicContact CG1-CG2 4.37Å; V139-V141 PolarHBondContact O-N 3.03Å | ||
| 142 | E | 44.4 | Very low | 41 | Very low | 264 Ų | 264 | 139.2 Ų | 139.2 | 100% | 1.234 | 82% | 0.819 | S | S | * | * | trans | -103.5 | 0 | 151.3 | -85.6 | -173.5 | 146 | 0 | 0 | 108.4 |
Retrieved 142 of 142 residues in 195.6 ms
(Link to these results)