| 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 | 28.1 | Very low | 36 | Very low | 225 Ų | 225 | 78.1 Ų | 78.1 | 100% | 1.108 | 38% | 0.378 | S | S | * | . | 0 | 119.1 | 0 | -69.4 | -169.6 | -175.5 | 0 | 0 | 107.2 | |||||
| 2 | G | 33 | Very low | 35.8 | Very low | 58 Ų | 58 | 73 Ų | 73 | 60% | 0.598 | 36% | 0.361 | S | S | * | . | trans | -76.7 | 139.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 3 | L | 33.2 | Very low | 35.9 | Very low | 55 Ų | 55 | 78.7 Ų | 78.7 | 29% | 0.288 | 38% | 0.376 | S | S | . | . | trans | -70.4 | 123.8 | 170.9 | -169.4 | 86.7 | 0 | 0 | 0 | 108.6 | L5 L34 P133 | L3-L5 HydrophobicContact CD2-CD1 4.04Å; L3-L5 HydrophobicContact CD2-CD2 3.91Å; L3-L5 HydrophobicContact CD2-CG 3.8Å; L3-L5 HydrophobicContact CG-CG 4.41Å; L3-L34 HydrophobicContact CD1-CD1 4.39Å; L3-P133 HydrophobicContact CD1-CG 3.48Å; L3-P133 VanDerWaalsContact CD1-CG 3.48Å; L3-P133 HydrophobicContact CG-CG 3.72Å | ||
| 4 | R | 33.8 | Very low | 35.5 | Very low | 175 Ų | 175 | 83 Ų | 83 | 66% | 0.66 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 105.7 | 173.4 | -66.5 | -172.3 | 174.8 | 179.4 | -2.4 | 110.1 | L26 P133 | R4-L26 HydrophobicContact CG-CD2 4.11Å; R4-P133 HydrophobicContact CB-CB 4.41Å; R4-P133 WeakPolarHBondContact O-CB 3.31Å; R4-P133 WeakPolarHBondContact O-CD 3.37Å; R4-P133 WeakPolarHBondContact O-CG 3.49Å |
| 5 | L | 36.2 | Very low | 35.2 | Very low | 29 Ų | 29 | 91.6 Ų | 91.6 | 15% | 0.152 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 136.9 | 174.3 | -71.1 | 168.6 | 0 | 0 | 0 | 109.3 | L3 L25 V27 L132 | L3-L5 HydrophobicContact CD2-CD1 4.04Å; L3-L5 HydrophobicContact CD2-CD2 3.91Å; L3-L5 HydrophobicContact CD2-CG 3.8Å; L3-L5 HydrophobicContact CG-CG 4.41Å; L5-L25 HydrophobicContact CB-CB 3.76Å; L5-L25 HydrophobicContact CB-CD1 4.33Å; L5-L25 PolarHBondContact N-O 2.96Å; L5-L25 CarbonylContact O-C 3.44Å; L5-L25 WeakPolarHBondContact O-CA 3.2Å; L5-L25 WeakPolarHBondContact O-CB 3.46Å; L5-L25 PolarHBondContact O-N 3.35Å; L5-V27 HydrophobicContact CD1-CG2 4.39Å; L5-L132 HydrophobicContact CD2-CD2 3.21Å |
| 6 | R | 38.4 | Very low | 34.9 | Very low | 164 Ų | 164 | 95.4 Ų | 95.4 | 62% | 0.619 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 122.7 | 169.3 | -73.1 | -175.9 | 177.8 | 179.6 | -0.4 | 108.9 | ||
| 7 | L | 40 | Very low | 34.8 | Very low | 8 Ų | 8 | 95.6 Ų | 95.6 | 4% | 0.042 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 121.2 | 176.7 | -150.7 | 125.3 | 0 | 0 | 0 | 108.1 | L9 V23 L25 V128 I130 | L7-L9 HydrophobicContact CD2-CD2 3.74Å; L7-L9 HydrophobicContact CD2-CG 4.26Å; L7-V23 HydrophobicContact CB-CB 4.34Å; L7-V23 PolarHBondContact N-O 2.81Å; L7-V23 PolarHBondContact O-N 3.42Å; L7-L25 HydrophobicContact CB-CD1 4.28Å; L7-L25 HydrophobicContact CD1-CD1 3.74Å; L7-V128 HydrophobicContact CD2-CG1 4.06Å; L7-V128 HydrophobicContact CG-CG1 4Å; L7-I130 HydrophobicContact CD1-CD1 4.1Å |
| 8 | V | 40 | Very low | 34.7 | Very low | 18 Ų | 18 | 95.1 Ų | 95.1 | 11% | 0.109 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 111.2 | 178.7 | -176.2 | 0 | 0 | 0 | 0 | 109 | L10 I19 V128 | V8-L10 HydrophobicContact CG1-CD2 3.86Å; V8-L10 PolarHBondContact O-N 3.15Å; V8-I19 HydrophobicContact CG1-CG1 4.36Å; V8-I19 HydrophobicContact CG1-CG2 4.16Å; V8-V128 WeakPolarHBondContact O-CA 3.04Å; V8-V128 WeakPolarHBondContact O-CG1 3.27Å |
| 9 | L | 37.4 | Very low | 34.8 | Very low | 5 Ų | 5 | 94.4 Ų | 94.4 | 3% | 0.026 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 112.8 | 174.2 | -62.6 | 175.2 | 0 | 0 | 0 | 109.2 | L7 N20 R21 V23 A73 I79 V128 | L7-L9 HydrophobicContact CD2-CD2 3.74Å; L7-L9 HydrophobicContact CD2-CG 4.26Å; L9-N20 PolarHBondContact O-N 3.17Å; L9-R21 WeakPolarHBondContact CB-O 3.26Å; L9-R21 HydrophobicContact CD1-CB 4.3Å; L9-R21 PolarHBondContact N-O 3.14Å; L9-V23 HydrophobicContact CD1-CG2 4.18Å; L9-A73 HydrophobicContact CD1-CB 4.23Å; L9-I79 HydrophobicContact CD1-CD1 4.1Å; L9-I79 HydrophobicContact CD2-CD1 3.92Å; L9-I79 HydrophobicContact CD2-CG1 4.43Å; L9-I79 HydrophobicContact CD2-CG2 3.59Å; L9-V128 HydrophobicContact CD2-CG2 3.86Å |
| 10 | L | 40 | Very low | 34.8 | Very low | 27 Ų | 27 | 94.3 Ų | 94.3 | 14% | 0.141 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 138.6 | 169.8 | -46.2 | 172.4 | 0 | 0 | 0 | 109 | V8 L17 E18 I19 I126 G127 V129 | V8-L10 HydrophobicContact CG1-CD2 3.86Å; V8-L10 PolarHBondContact O-N 3.15Å; L10-L17 HydrophobicContact CB-CB 4.43Å; L10-L17 HydrophobicContact CB-CD2 3.94Å; L10-L17 HydrophobicContact CD1-CB 4.49Å; L10-L17 HydrophobicContact CD1-CD1 4.21Å; L10-L17 HydrophobicContact CD1-CD2 4.27Å; L10-E18 CarbonylContact C-O 3.55Å; L10-E18 WeakPolarHBondContact CA-O 3.4Å; L10-I19 HydrophobicContact CD2-CG1 3.97Å; L10-I126 WeakPolarHBondContact O-CG2 3.41Å; L10-G127 WeakPolarHBondContact CB-O 3.45Å; L10-G127 WeakPolarHBondContact CD1-O 3.41Å; L10-G127 WeakPolarHBondContact CG-O 3.37Å; L10-G127 PolarHBondContact N-O 2.8Å; L10-V129 HydrophobicContact CD1-CG2 4.43Å |
| 11 | K | 36 | Very low | 34.8 | Very low | 95 Ų | 95 | 95.8 Ų | 95.8 | 41% | 0.413 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 121.4 | 171.3 | 179 | 177.2 | -175.7 | 177.3 | 0 | 108.1 | R13 E18 N20 | K11-R13 PolarHBondContact O-N 3.5Å; K11-E18 PolarHBondContact N-O 3.27Å; K11-E18 PolarHBondContact O-N 3.1Å; K11-N20 HydrophobicContact CB-CB 3.71Å |
| 12 | G | 33.4 | Very low | 35.2 | Very low | 17 Ų | 17 | 89.1 Ų | 89.1 | 18% | 0.175 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 115.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | R16 | G12-R16 CarbonylContact C-O 3.58Å; G12-R16 WeakPolarHBondContact CA-O 3.4Å |
| 13 | R | 37.2 | Very low | 35.3 | Very low | 147 Ų | 147 | 87 Ų | 87 | 56% | 0.555 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 127.5 | 168.2 | -167.8 | 179.6 | -173.9 | 178.3 | 0.9 | 108.8 | K11 Q15 R16 | K11-R13 PolarHBondContact O-N 3.5Å; R13-Q15 VanDerWaalsContact C-N 3.35Å; R13-Q15 PolarHBondContact O-N 3.06Å; R13-R16 PolarHBondContact N-O 3.34Å; R13-R16 WeakPolarHBondContact O-CA 3.22Å; R13-R16 WeakPolarHBondContact O-CB 3.5Å; R13-R16 PolarHBondContact O-N 3.37Å; R13-R16 VanDerWaalsContact O-O 3.1Å |
| 14 | N | 30.4 | Very low | 35.2 | Very low | 139 Ų | 139 | 86.8 Ų | 86.8 | 74% | 0.743 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 47.5 | 175.9 | -59.6 | -18.5 | 0 | 0 | 0 | 114 | R16 | N14-R16 PolarHBondContact O-N 3.15Š|
| 15 | Q | 30.5 | Very low | 35.3 | Very low | 212 Ų | 212 | 79.5 Ų | 79.5 | 99% | 0.991 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 10.3 | -176.4 | -54.3 | 176.7 | -8.3 | 0 | 0 | 114.9 | R13 | R13-Q15 VanDerWaalsContact C-N 3.35Å; R13-Q15 PolarHBondContact O-N 3.06Å |
| 16 | R | 30.5 | Very low | 35 | Very low | 153 Ų | 153 | 82 Ų | 82 | 58% | 0.577 | 39% | 0.393 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137.2 | 172.4 | -64.9 | -177.4 | 175.5 | -174.1 | -3.1 | 109.7 | G12 R13 N14 | G12-R16 CarbonylContact C-O 3.58Å; G12-R16 WeakPolarHBondContact CA-O 3.4Å; R13-R16 PolarHBondContact N-O 3.34Å; R13-R16 WeakPolarHBondContact O-CA 3.22Å; R13-R16 WeakPolarHBondContact O-CB 3.5Å; R13-R16 PolarHBondContact O-N 3.37Å; R13-R16 VanDerWaalsContact O-O 3.1Å; N14-R16 PolarHBondContact O-N 3.15Å |
| 17 | L | 33.2 | Very low | 34.9 | Very low | 99 Ų | 99 | 76.1 Ų | 76.1 | 52% | 0.518 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 108.9 | 165.5 | -70.2 | 165.2 | 0 | 0 | 0 | 107.1 | L10 | L10-L17 HydrophobicContact CB-CB 4.43Å; L10-L17 HydrophobicContact CB-CD2 3.94Å; L10-L17 HydrophobicContact CD1-CB 4.49Å; L10-L17 HydrophobicContact CD1-CD1 4.21Å; L10-L17 HydrophobicContact CD1-CD2 4.27Å |
| 18 | E | 33.2 | Very low | 34.6 | Very low | 86 Ų | 86 | 82.5 Ų | 82.5 | 40% | 0.402 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 132.5 | 172.4 | -67.1 | 177.5 | 174.5 | 0 | 0 | 108.4 | L10 K11 N20 | L10-E18 CarbonylContact C-O 3.55Å; L10-E18 WeakPolarHBondContact CA-O 3.4Å; K11-E18 PolarHBondContact N-O 3.27Å; K11-E18 PolarHBondContact O-N 3.1Å; E18-N20 PolarHBondContact O-N 3.49Å |
| 19 | I | 37 | Very low | 34.1 | Very low | 82 Ų | 82 | 85.6 Ų | 85.6 | 42% | 0.421 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 111.6 | 169.7 | -62.1 | 171.4 | 0 | 0 | 0 | 106.8 | V8 L10 V22 F164 | V8-I19 HydrophobicContact CG1-CG1 4.36Å; V8-I19 HydrophobicContact CG1-CG2 4.16Å; L10-I19 HydrophobicContact CD2-CG1 3.97Å; I19-V22 HydrophobicContact CG2-CG2 3.95Å; I19-F164 HydrophobicContact CD1-CE2 3.96Å; I19-F164 HydrophobicContact CD1-CZ 3.59Å |
| 20 | N | 34.7 | Very low | 33.8 | Very low | 91 Ų | 91 | 87.7 Ų | 87.7 | 49% | 0.487 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -43.9 | -177.7 | -166.9 | 16.2 | 0 | 0 | 0 | 110.6 | L9 K11 E18 | L9-N20 PolarHBondContact O-N 3.17Å; K11-N20 HydrophobicContact CB-CB 3.71Å; E18-N20 PolarHBondContact O-N 3.49Å |
| 21 | R | 34.1 | Very low | 33.4 | Very low | 127 Ų | 127 | 95.5 Ų | 95.5 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 132.7 | 178.8 | -164.5 | 171.4 | -178.7 | -179.1 | -1.9 | 110.1 | L9 V23 | L9-R21 WeakPolarHBondContact CB-O 3.26Å; L9-R21 HydrophobicContact CD1-CB 4.3Å; L9-R21 PolarHBondContact N-O 3.14Å; R21-V23 HydrophobicContact CG-CG2 4.25Å |
| 22 | V | 36.9 | Very low | 33.2 | Very low | 85 Ų | 85 | 95.1 Ų | 95.1 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 121.6 | 165.7 | -178.7 | 0 | 0 | 0 | 0 | 107.2 | I19 | I19-V22 HydrophobicContact CG2-CG2 3.95Å |
| 23 | V | 34.7 | Very low | 33 | Very low | 14 Ų | 14 | 96.5 Ų | 96.5 | 9% | 0.085 | 51% | 0.507 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 114.3 | 174.6 | 178.5 | 0 | 0 | 0 | 0 | 107.2 | L7 L9 R21 L25 V70 | L7-V23 HydrophobicContact CB-CB 4.34Å; L7-V23 PolarHBondContact N-O 2.81Å; L7-V23 PolarHBondContact O-N 3.42Å; L9-V23 HydrophobicContact CD1-CG2 4.18Å; R21-V23 HydrophobicContact CG-CG2 4.25Å; V23-L25 PolarHBondContact O-N 3.26Å; V23-V70 HydrophobicContact CG1-CB 4.41Å; V23-V70 HydrophobicContact CG1-CG1 4.26Å; V23-V70 HydrophobicContact CG1-CG2 3.33Å |
| 24 | A | 31.1 | Very low | 32.7 | Very low | 50 Ų | 50 | 95.5 Ų | 95.5 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 115.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | L26 | A24-L26 PolarHBondContact O-N 3.43Å |
| 25 | L | 36 | Very low | 32.6 | Very low | 21 Ų | 21 | 93.5 Ų | 93.5 | 11% | 0.11 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 96.5 | 164.3 | -78.6 | 165.6 | 0 | 0 | 0 | 107.4 | L5 L7 V23 V27 L66 | L5-L25 HydrophobicContact CB-CB 3.76Å; L5-L25 HydrophobicContact CB-CD1 4.33Å; L5-L25 PolarHBondContact N-O 2.96Å; L5-L25 CarbonylContact O-C 3.44Å; L5-L25 WeakPolarHBondContact O-CA 3.2Å; L5-L25 WeakPolarHBondContact O-CB 3.46Å; L5-L25 PolarHBondContact O-N 3.35Å; L7-L25 HydrophobicContact CB-CD1 4.28Å; L7-L25 HydrophobicContact CD1-CD1 3.74Å; V23-L25 PolarHBondContact O-N 3.26Å; L25-V27 PolarHBondContact O-N 2.74Å; L25-L66 HydrophobicContact CD1-CD2 4.33Å; L25-L66 HydrophobicContact CD2-CD2 3.86Å |
| 26 | L | 30.7 | Very low | 32.5 | Very low | 81 Ų | 81 | 86.9 Ų | 86.9 | 42% | 0.424 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 101.4 | 162.9 | -73 | 163.7 | 0 | 0 | 0 | 107 | R4 A24 D28 | R4-L26 HydrophobicContact CG-CD2 4.11Å; A24-L26 PolarHBondContact O-N 3.43Å; L26-D28 VanDerWaalsContact C-N 3.29Å; L26-D28 PolarHBondContact O-N 3.22Å |
| 27 | V | 35.1 | Very low | 32.3 | Very low | 41 Ų | 41 | 87.6 Ų | 87.6 | 25% | 0.248 | 48% | 0.478 | C | S | . | . | trans | -83 | 86.8 | 164.1 | -172.8 | 0 | 0 | 0 | 0 | 105.9 | L5 L25 F32 | L5-V27 HydrophobicContact CD1-CG2 4.39Å; L25-V27 PolarHBondContact O-N 2.74Å; V27-F32 HydrophobicContact CG1-CD2 4.42Å | ||
| 28 | D | 33.7 | Very low | 32.1 | Very low | 143 Ų | 143 | 85.8 Ų | 85.8 | 77% | 0.765 | 47% | 0.469 | S | S | * | . | trans | -74.8 | 127 | 171.2 | -92.4 | -28.7 | 0 | 0 | 0 | 109.3 | L26 G30 | L26-D28 VanDerWaalsContact C-N 3.29Å; L26-D28 PolarHBondContact O-N 3.22Å; D28-G30 PolarHBondContact O-N 3.2Å; D28-G30 VanDerWaalsContact O-N 3.15Å | ||
| 29 | G | 30.3 | Very low | 31.9 | Very low | 82 Ų | 82 | 83.4 Ų | 83.4 | 85% | 0.845 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 79.9 | -10.3 | 156.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||
| 30 | G | 30.7 | Very low | 31.4 | Very low | 49 Ų | 49 | 84.2 Ų | 84.2 | 51% | 0.505 | 46% | 0.463 | S | S | . | . | trans | -94.6 | 129.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D28 F32 | D28-G30 PolarHBondContact O-N 3.2Å; D28-G30 VanDerWaalsContact O-N 3.15Å; G30-F32 VanDerWaalsContact C-N 3.34Å; G30-F32 PolarHBondContact O-N 3.35Å | ||
| 31 | H | 31.2 | Very low | 31.1 | Very low | 192 Ų | 192 | 83 Ų | 83 | 89% | 0.889 | 47% | 0.465 | S | S | * | . | trans | -55.9 | 102.4 | 158 | -86.8 | -82.1 | 0 | 0 | 0 | 107.4 | P33 | H31-P33 WeakPolarHBondContact O-CD 3.41Š| ||
| 32 | F | 32.1 | Very low | 30.8 | Very low | 86 Ų | 86 | 79.2 Ų | 79.2 | 38% | 0.377 | 45% | 0.454 | S | S | . | . | trans | -76 | 107.4 | 158.7 | -135.2 | -94.5 | 0 | 0 | 0 | 104.3 | V27 G30 L34 I38 | V27-F32 HydrophobicContact CG1-CD2 4.42Å; G30-F32 VanDerWaalsContact C-N 3.34Å; G30-F32 PolarHBondContact O-N 3.35Å; F32-L34 PolarHBondContact O-N 3.37Å; F32-I38 HydrophobicContact CD1-CD1 4.1Å; F32-I38 HydrophobicContact CE1-CD1 3.59Å | ||
| 33 | P | 29.3 | Very low | 30.4 | Very low | 46 Ų | 46 | 78.6 Ų | 78.6 | 30% | 0.299 | 45% | 0.45 | S | S | . | . | trans | -62 | 100.6 | 166 | 26.1 | -30 | 0 | 0 | 0 | 105.5 | H31 E35 F186 | H31-P33 WeakPolarHBondContact O-CD 3.41Å; P33-E35 HydrophobicContact CB-CB 4.33Å; P33-E35 HydrophobicContact CB-CG 3.92Å; P33-E35 PolarHBondContact O-N 3.09Å; P33-F186 HydrophobicContact CG-CE1 4.04Å | ||
| 34 | L | 31.2 | Very low | 30 | Very low | 126 Ų | 126 | 84.4 Ų | 84.4 | 66% | 0.66 | 48% | 0.481 | S | S | * | . | trans | -66.1 | 48.5 | 154 | -89.2 | 150.5 | 0 | 0 | 0 | 107.7 | L3 F32 S36 | L3-L34 HydrophobicContact CD1-CD1 4.39Å; F32-L34 PolarHBondContact O-N 3.37Å; L34-S36 PolarHBondContact O-N 3.43Å | ||
| 35 | E | 28.3 | Very low | 29.9 | Very low | 97 Ų | 97 | 88.4 Ų | 88.4 | 45% | 0.453 | 49% | 0.491 | S | S | . | . | trans | -67 | 129.5 | 160.3 | -78 | 176.7 | -171.5 | 0 | 0 | 105.1 | P33 R37 I38 | P33-E35 HydrophobicContact CB-CB 4.33Å; P33-E35 HydrophobicContact CB-CG 3.92Å; P33-E35 PolarHBondContact O-N 3.09Å; E35-R37 PolarHBondContact O-N 3.33Å; E35-I38 PolarHBondContact O-N 2.84Å | ||
| 36 | S | 27.7 | Very low | 29.5 | Very low | 74 Ų | 74 | 95.8 Ų | 95.8 | 52% | 0.517 | 53% | 0.525 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44 | -20 | -170.9 | 60.7 | 0 | 0 | 0 | 0 | 115.5 | L34 I38 C39 E40 | L34-S36 PolarHBondContact O-N 3.43Å; S36-I38 PolarHBondContact O-N 3.15Å; S36-C39 PolarHBondContact O-N 3.49Å; S36-E40 WeakPolarHBondContact O-CG 3.37Å; S36-E40 PolarHBondContact O-N 3.05Å; S36-E40 PolarHBondContact OG-OE2 2.96Å |
| 37 | R | 27.8 | Very low | 29.3 | Very low | 168 Ų | 168 | 95.3 Ų | 95.3 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69.1 | -24.5 | -175.2 | -63.6 | -171.1 | 177.2 | -165.8 | 1.7 | 115.8 | E35 E40 A41 | E35-R37 PolarHBondContact O-N 3.33Å; R37-E40 PolarHBondContact O-N 3.42Å; R37-A41 WeakPolarHBondContact O-CB 3.49Å; R37-A41 PolarHBondContact O-N 3Å |
| 38 | I | 28.7 | Very low | 28.9 | Very low | 61 Ų | 61 | 98.5 Ų | 98.5 | 31% | 0.313 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73.2 | -36.8 | 178 | -64.3 | 178.1 | 0 | 0 | 0 | 110.1 | F32 E35 S36 I42 | F32-I38 HydrophobicContact CD1-CD1 4.1Å; F32-I38 HydrophobicContact CE1-CD1 3.59Å; E35-I38 PolarHBondContact O-N 2.84Å; S36-I38 PolarHBondContact O-N 3.15Å; I38-I42 HydrophobicContact CG2-CD1 3.71Å; I38-I42 WeakPolarHBondContact O-CB 3.44Å; I38-I42 WeakPolarHBondContact O-CD1 3.34Å; I38-I42 WeakPolarHBondContact O-CG1 3.19Å; I38-I42 PolarHBondContact O-N 2.63Å |
| 39 | C | 28.1 | Very low | 28.8 | Very low | 36 Ų | 36 | 96.3 Ų | 96.3 | 24% | 0.243 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -74.8 | -38.3 | 170.6 | -66.9 | 0 | 0 | 0 | 0 | 111 | S36 I42 V43 C85 | S36-C39 PolarHBondContact O-N 3.49Å; C39-I42 PolarHBondContact O-N 3.05Å; C39-V43 WeakPolarHBondContact O-CB 3.45Å; C39-V43 WeakPolarHBondContact O-CG2 3.36Å; C39-V43 PolarHBondContact O-N 3.03Å; C39-C85 WeakPolarHBondContact CA-SG 3.31Å; C39-C85 HydrophobicContact CB-CB 3.55Å; C39-C85 WeakPolarHBondContact CB-SG 3.39Å; C39-C85 WeakPolarHBondContact SG-CB 3.31Å; C39-C85 CovalentContact SG-SG 2.05Å; C39-C85 PolarHBondContact SG-SG 3.03Å |
| 40 | E | 27 | Very low | 28.6 | Very low | 99 Ų | 99 | 101.5 Ų | 101.5 | 46% | 0.463 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -44.5 | 175.9 | -67.8 | 160.4 | 167.4 | 0 | 0 | 112.9 | S36 R37 I42 V43 D44 | S36-E40 WeakPolarHBondContact O-CG 3.37Å; S36-E40 PolarHBondContact O-N 3.05Å; S36-E40 PolarHBondContact OG-OE2 2.96Å; R37-E40 PolarHBondContact O-N 3.42Å; E40-I42 PolarHBondContact O-N 3.46Å; E40-V43 PolarHBondContact O-N 2.81Å; E40-D44 VanDerWaalsContact O-CB 3.31Å; E40-D44 WeakPolarHBondContact O-CB 3.22Å; E40-D44 PolarHBondContact O-N 3.23Å |
| 41 | A | 27.4 | Very low | 28.5 | Very low | 65 Ų | 65 | 106 Ų | 106 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -69.5 | -18.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R37 | R37-A41 WeakPolarHBondContact O-CB 3.49Å; R37-A41 PolarHBondContact O-N 3Å |
| 42 | I | 29.1 | Very low | 28.4 | Very low | 48 Ų | 48 | 104 Ų | 104 | 25% | 0.246 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -98.2 | -27.3 | 178.2 | -66.5 | 175.1 | 0 | 0 | 0 | 111 | I38 C39 E40 W62 I83 | I38-I42 HydrophobicContact CG2-CD1 3.71Å; I38-I42 WeakPolarHBondContact O-CB 3.44Å; I38-I42 WeakPolarHBondContact O-CD1 3.34Å; I38-I42 WeakPolarHBondContact O-CG1 3.19Å; I38-I42 PolarHBondContact O-N 2.63Å; C39-I42 PolarHBondContact O-N 3.05Å; E40-I42 PolarHBondContact O-N 3.46Å; I42-W62 HydrophobicContact CD1-CH2 4.07Å; I42-W62 HydrophobicContact CD1-CZ2 4.21Å; I42-I83 HydrophobicContact CD1-CB 4.24Å; I42-I83 HydrophobicContact CD1-CD1 4.08Å; I42-I83 HydrophobicContact CD1-CG2 3.97Å; I42-I83 HydrophobicContact CG2-CB 3.83Å; I42-I83 HydrophobicContact CG2-CG2 4.15Å; I42-I83 WeakPolarHBondContact CG2-O 2.95Å |
| 43 | V | 28 | Very low | 28.2 | Very low | 71 Ų | 71 | 104.8 Ų | 104.8 | 43% | 0.43 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -86.2 | -28.4 | 178.6 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | C39 E40 Q45 C85 | C39-V43 WeakPolarHBondContact O-CB 3.45Å; C39-V43 WeakPolarHBondContact O-CG2 3.36Å; C39-V43 PolarHBondContact O-N 3.03Å; E40-V43 PolarHBondContact O-N 2.81Å; V43-Q45 VanDerWaalsContact C-N 3.34Å; V43-C85 HydrophobicContact CG2-CB 4.44Å |
| 44 | D | 27.3 | Very low | 28.3 | Very low | 137 Ų | 137 | 114 Ų | 114 | 73% | 0.733 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -83.7 | -3.2 | 177.8 | -81.8 | -15.3 | 0 | 0 | 0 | 114.5 | E40 | E40-D44 VanDerWaalsContact O-CB 3.31Å; E40-D44 WeakPolarHBondContact O-CB 3.22Å; E40-D44 PolarHBondContact O-N 3.23Å |
| 45 | Q | 27.2 | Very low | 28.2 | Very low | 134 Ų | 134 | 112 Ų | 112 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | trans | -101.8 | 70 | 168.5 | -65 | -160.5 | 10.1 | 0 | 0 | 109.7 | V43 I47 | V43-Q45 VanDerWaalsContact C-N 3.34Å; Q45-I47 HydrophobicContact CB-CD1 4.23Å; Q45-I47 HydrophobicContact CB-CG1 3.78Å; Q45-I47 WeakPolarHBondContact O-CG1 3.38Å; Q45-I47 PolarHBondContact O-N 3.4Å | ||
| 46 | E | 27.6 | Very low | 28.5 | Very low | 176 Ų | 176 | 111.3 Ų | 111.3 | 82% | 0.822 | 56% | 0.556 | S | S | * | * | trans | -66.4 | 81.5 | 156 | -163.6 | 174.4 | -143.2 | 0 | 0 | 107.3 | C48 | E46-C48 PolarHBondContact O-N 3.27Å; E46-C48 VanDerWaalsContact O-N 3.1Å | ||
| 47 | I | 27.7 | Very low | 28.8 | Very low | 70 Ų | 70 | 110.8 Ų | 110.8 | 36% | 0.359 | 56% | 0.562 | S | S | . | * | trans | -79.5 | 100.5 | -178.9 | -46.1 | 174.7 | 0 | 0 | 0 | 107.5 | Q45 W49 P56 | Q45-I47 HydrophobicContact CB-CD1 4.23Å; Q45-I47 HydrophobicContact CB-CG1 3.78Å; Q45-I47 WeakPolarHBondContact O-CG1 3.38Å; Q45-I47 PolarHBondContact O-N 3.4Å; I47-W49 VanDerWaalsContact C-N 3.33Å; I47-W49 HydrophobicContact CB-CZ2 4.19Å; I47-W49 HydrophobicContact CD1-CZ2 3.78Å; I47-W49 HydrophobicContact CG2-CD2 3.95Å; I47-W49 HydrophobicContact CG2-CG 4.1Å; I47-W49 HydrophobicContact CG2-CH2 4.37Å; I47-W49 HydrophobicContact CG2-CZ2 3.44Å; I47-W49 VanDerWaalsContact CG2-CZ2 3.44Å; I47-W49 PolarHBondContact O-N 3.06Å; I47-P56 HydrophobicContact CD1-CG 4.1Å | ||
| 48 | C | 26.1 | Very low | 29.3 | Very low | 109 Ų | 109 | 104.2 Ų | 104.2 | 74% | 0.736 | 54% | 0.539 | S | S | * | . | trans | -69.8 | 92.5 | 163.8 | -74.1 | 0 | 0 | 0 | 0 | 108.9 | E46 | E46-C48 PolarHBondContact O-N 3.27Å; E46-C48 VanDerWaalsContact O-N 3.1Å | ||
| 49 | W | 32.3 | Very low | 29.9 | Very low | 97 Ų | 97 | 104.8 Ų | 104.8 | 37% | 0.367 | 55% | 0.547 | S | S | . | . | trans | -72.8 | 131.3 | 174.9 | -69.2 | 85.6 | 0 | 0 | 0 | 110.6 | I47 E53 R54 L55 P56 | I47-W49 VanDerWaalsContact C-N 3.33Å; I47-W49 HydrophobicContact CB-CZ2 4.19Å; I47-W49 HydrophobicContact CD1-CZ2 3.78Å; I47-W49 HydrophobicContact CG2-CD2 3.95Å; I47-W49 HydrophobicContact CG2-CG 4.1Å; I47-W49 HydrophobicContact CG2-CH2 4.37Å; I47-W49 HydrophobicContact CG2-CZ2 3.44Å; I47-W49 VanDerWaalsContact CG2-CZ2 3.44Å; I47-W49 PolarHBondContact O-N 3.06Å; W49-E53 HydrophobicContact CE3-CB 3.52Å; W49-E53 HydrophobicContact CZ3-CB 3.58Å; W49-E53 WeakPolarHBondContact CZ3-O 3.47Å; W49-R54 WeakPolarHBondContact CH2-O 3.47Å; W49-R54 WeakPolarHBondContact CZ3-O 3.42Å; W49-L55 HydrophobicContact CD2-CD2 4.1Å; W49-L55 HydrophobicContact CE3-CD2 4.19Å; W49-L55 HydrophobicContact CZ2-CD2 4.4Å; W49-L55 HydrophobicContact CZ3-CD2 4.41Å; W49-P56 HydrophobicContact CH2-CG 3.5Å; W49-P56 HydrophobicContact CZ2-CG 3.31Å | ||
| 50 | R | 25 | Very low | 30.4 | Very low | 191 Ų | 191 | 108.7 Ų | 108.7 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | trans | -83.1 | 151 | 157.6 | -63.1 | -177.8 | -178.2 | -173.7 | 1.5 | 108.5 | D52 E53 | R50-D52 PolarHBondContact O-N 3.04Å; R50-E53 HydrophobicContact CB-CG 4.45Å; R50-E53 PolarHBondContact N-OE2 2.89Å; R50-E53 PolarHBondContact O-N 3.05Å; R50-E53 VanDerWaalsContact O-N 3.07Å | ||
| 51 | D | 29.9 | Very low | 30.9 | Very low | 144 Ų | 144 | 110.9 Ų | 110.9 | 77% | 0.77 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -13.2 | -175.6 | -68.8 | -41 | 0 | 0 | 0 | 114.4 | ||
| 52 | D | 29.2 | Very low | 31.5 | Very low | 150 Ų | 150 | 111.9 Ų | 111.9 | 80% | 0.802 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -4.3 | -171.2 | -40 | -40.8 | 0 | 0 | 0 | 113.6 | R50 | R50-D52 PolarHBondContact O-N 3.04Š|
| 53 | E | 27.7 | Very low | 32 | Very low | 102 Ų | 102 | 112.5 Ų | 112.5 | 48% | 0.477 | 57% | 0.573 | S | S | . | * | S | Bend | trans | -84.6 | 128.8 | -178.1 | -74.9 | 179.3 | 154.5 | 0 | 0 | 111.4 | W49 R50 L55 | W49-E53 HydrophobicContact CE3-CB 3.52Å; W49-E53 HydrophobicContact CZ3-CB 3.58Å; W49-E53 WeakPolarHBondContact CZ3-O 3.47Å; R50-E53 HydrophobicContact CB-CG 4.45Å; R50-E53 PolarHBondContact N-OE2 2.89Å; R50-E53 PolarHBondContact O-N 3.05Å; R50-E53 VanDerWaalsContact O-N 3.07Å; E53-L55 PolarHBondContact O-N 2.87Å |
| 54 | R | 30.1 | Very low | 32.5 | Very low | 239 Ų | 239 | 112.4 Ų | 112.4 | 90% | 0.902 | 59% | 0.587 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 121.9 | 175.3 | -75.6 | -175.9 | 177 | -174.8 | -0.1 | 109.8 | W49 | W49-R54 WeakPolarHBondContact CH2-O 3.47Å; W49-R54 WeakPolarHBondContact CZ3-O 3.42Å |
| 55 | L | 29.7 | Very low | 33 | Very low | 84 Ų | 84 | 110.5 Ų | 110.5 | 44% | 0.44 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -50.4 | 140.3 | 175.7 | -67.2 | 154 | 0 | 0 | 0 | 111.7 | W49 E53 G57 Q80 | W49-L55 HydrophobicContact CD2-CD2 4.1Å; W49-L55 HydrophobicContact CE3-CD2 4.19Å; W49-L55 HydrophobicContact CZ2-CD2 4.4Å; W49-L55 HydrophobicContact CZ3-CD2 4.41Å; E53-L55 PolarHBondContact O-N 2.87Å; L55-G57 PolarHBondContact O-N 3.41Å; L55-G57 VanDerWaalsContact O-N 3.13Å; L55-Q80 HydrophobicContact CD1-CG 3.35Å; L55-Q80 HydrophobicContact CD2-CG 3.8Å; L55-Q80 HydrophobicContact CG-CG 4.09Å |
| 56 | P | 33.8 | Very low | 33.7 | Very low | 82 Ų | 82 | 105 Ų | 105 | 53% | 0.532 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -68.6 | 121 | 176.4 | 3.3 | 18.8 | 0 | 0 | 0 | 104.5 | I47 W49 | I47-P56 HydrophobicContact CD1-CG 4.1Å; W49-P56 HydrophobicContact CH2-CG 3.5Å; W49-P56 HydrophobicContact CZ2-CG 3.31Å |
| 57 | G | 34.7 | Very low | 34.4 | Very low | 63 Ų | 63 | 101.3 Ų | 101.3 | 65% | 0.649 | 54% | 0.54 | S | S | * | . | P | Polyproline II helix | trans | -53.9 | 151.8 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | L55 P59 | L55-G57 PolarHBondContact O-N 3.41Å; L55-G57 VanDerWaalsContact O-N 3.13Å; G57-P59 VanDerWaalsContact O-N 3.12Å |
| 58 | I | 39.1 | Very low | 35.2 | Very low | 31 Ų | 31 | 106.4 Ų | 106.4 | 16% | 0.159 | 56% | 0.56 | C | S | . | * | trans | -45.9 | 124.6 | 167.4 | -64.5 | 172.5 | 0 | 0 | 0 | 107.7 | V60 W62 Q63 I74 I81 | I58-V60 PolarHBondContact O-N 3.32Å; I58-V60 VanDerWaalsContact O-N 3.15Å; I58-W62 HydrophobicContact CG2-CB 3.53Å; I58-W62 HydrophobicContact CG2-CG 4.35Å; I58-Q63 HydrophobicContact CG2-CG 4.37Å; I58-I74 HydrophobicContact CD1-CB 4.4Å; I58-I74 HydrophobicContact CD1-CD1 3.56Å; I58-I74 HydrophobicContact CD1-CG1 4.05Å; I58-I74 HydrophobicContact CD1-CG2 3.49Å; I58-I74 VanDerWaalsContact CD1-CG2 3.49Å; I58-I81 HydrophobicContact CD1-CD1 3.33Å; I58-I81 HydrophobicContact CD1-CG1 4.23Å; I58-I81 HydrophobicContact CG1-CD1 3.89Å; I58-I81 HydrophobicContact CG1-CG1 4.49Å | ||
| 59 | P | 41.5 | Very low | 35.8 | Very low | 72 Ų | 72 | 106 Ų | 106 | 47% | 0.468 | 55% | 0.55 | S | S | . | * | trans | -51 | 128.7 | 178.9 | -25.1 | 32.3 | 0 | 0 | 0 | 108.5 | G57 M61 W62 | G57-P59 VanDerWaalsContact O-N 3.12Å; P59-M61 HydrophobicContact CB-CG 3.93Å; P59-M61 HydrophobicContact CB-SD 4.2Å; P59-M61 PolarHBondContact O-N 2.82Å; P59-W62 WeakPolarHBondContact O-CB 3.31Å; P59-W62 PolarHBondContact O-N 3.05Å | ||
| 60 | V | 38.9 | Very low | 36.2 | Very low | 118 Ų | 118 | 101.5 Ų | 101.5 | 72% | 0.715 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -51.2 | -31.3 | -172 | 176.4 | 0 | 0 | 0 | 0 | 111.8 | I58 W62 Q63 | I58-V60 PolarHBondContact O-N 3.32Å; I58-V60 VanDerWaalsContact O-N 3.15Å; V60-W62 PolarHBondContact O-N 2.85Å; V60-Q63 WeakPolarHBondContact O-CB 3.25Å; V60-Q63 PolarHBondContact O-N 2.75Å |
| 61 | M | 35.9 | Very low | 37 | Very low | 145 Ų | 145 | 94.5 Ų | 94.5 | 71% | 0.714 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.4 | -28.9 | 175 | 70 | -162.4 | -60.8 | 0 | 0 | 114.3 | P59 | P59-M61 HydrophobicContact CB-CG 3.93Å; P59-M61 HydrophobicContact CB-SD 4.2Å; P59-M61 PolarHBondContact O-N 2.82Å |
| 62 | W | 40.7 | Very low | 37.5 | Very low | 87 Ų | 87 | 94.2 Ų | 94.2 | 33% | 0.33 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -79.7 | -24.6 | 176.5 | -71.7 | 56.5 | 0 | 0 | 0 | 111.8 | I42 I58 P59 V60 G64 C65 L66 I83 | I42-W62 HydrophobicContact CD1-CH2 4.07Å; I42-W62 HydrophobicContact CD1-CZ2 4.21Å; I58-W62 HydrophobicContact CG2-CB 3.53Å; I58-W62 HydrophobicContact CG2-CG 4.35Å; P59-W62 WeakPolarHBondContact O-CB 3.31Å; P59-W62 PolarHBondContact O-N 3.05Å; V60-W62 PolarHBondContact O-N 2.85Å; W62-G64 VanDerWaalsContact C-N 3.26Å; W62-G64 PolarHBondContact O-N 2.86Å; W62-C65 PolarHBondContact O-N 3.35Å; W62-C65 VanDerWaalsContact O-N 3.16Å; W62-L66 VanDerWaalsContact O-CG 3.27Å; W62-L66 WeakPolarHBondContact O-CG 3.4Å; W62-L66 PolarHBondContact O-N 2.87Å; W62-I83 HydrophobicContact CE3-CD1 4.23Å; W62-I83 HydrophobicContact CH2-CD1 3.21Å; W62-I83 HydrophobicContact CZ2-CD1 4.27Å; W62-I83 HydrophobicContact CZ3-CD1 3.18Å |
| 63 | Q | 40.5 | Very low | 37.8 | Very low | 61 Ų | 61 | 87.5 Ų | 87.5 | 29% | 0.285 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.3 | -38.4 | 179.6 | -61.6 | -173 | 13.2 | 0 | 0 | 110.9 | I58 V60 C65 L66 Q71 | I58-Q63 HydrophobicContact CG2-CG 4.37Å; V60-Q63 WeakPolarHBondContact O-CB 3.25Å; V60-Q63 PolarHBondContact O-N 2.75Å; Q63-C65 VanDerWaalsContact C-N 3.26Å; Q63-C65 PolarHBondContact O-N 3.39Å; Q63-L66 PolarHBondContact O-N 2.79Å; Q63-Q71 PolarHBondContact O-NE2 3.5Å |
| 64 | G | 38.5 | Very low | 38.4 | Very low | 69 Ų | 69 | 84 Ų | 84 | 71% | 0.711 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -26.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | W62 | W62-G64 VanDerWaalsContact C-N 3.26Å; W62-G64 PolarHBondContact O-N 2.86Å |
| 65 | C | 36.7 | Very low | 38.9 | Very low | 96 Ų | 96 | 81.3 Ų | 81.3 | 65% | 0.649 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -4.5 | -179.4 | -58.6 | 0 | 0 | 0 | 0 | 113.6 | W62 Q63 | W62-C65 PolarHBondContact O-N 3.35Å; W62-C65 VanDerWaalsContact O-N 3.16Å; Q63-C65 VanDerWaalsContact C-N 3.26Å; Q63-C65 PolarHBondContact O-N 3.39Å |
| 66 | L | 41.4 | Very low | 39.3 | Very low | 18 Ų | 18 | 81.4 Ų | 81.4 | 9% | 0.094 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -92.5 | 128.6 | 179.8 | -67 | 169.7 | 0 | 0 | 0 | 109.6 | L25 W62 Q63 V70 Q71 I74 | L25-L66 HydrophobicContact CD1-CD2 4.33Å; L25-L66 HydrophobicContact CD2-CD2 3.86Å; W62-L66 VanDerWaalsContact O-CG 3.27Å; W62-L66 WeakPolarHBondContact O-CG 3.4Å; W62-L66 PolarHBondContact O-N 2.87Å; Q63-L66 PolarHBondContact O-N 2.79Å; L66-V70 HydrophobicContact CB-CB 4.26Å; L66-V70 HydrophobicContact CB-CG1 4.44Å; L66-V70 HydrophobicContact CD2-CG1 3.98Å; L66-Q71 HydrophobicContact CB-CG 4Å; L66-Q71 PolarHBondContact O-NE2 3.1Å; L66-I74 HydrophobicContact CD1-CD1 3.54Å |
| 67 | Q | 43.2 | Very low | 39.2 | Very low | 99 Ų | 99 | 79.1 Ų | 79.1 | 46% | 0.463 | 44% | 0.438 | S | S | . | . | trans | -52.4 | 144.4 | 172.1 | -73 | -178.4 | -15.6 | 0 | 0 | 110 | D69 V70 Q71 | Q67-D69 PolarHBondContact O-N 3.03Å; Q67-V70 HydrophobicContact CB-CG2 4.08Å; Q67-V70 WeakPolarHBondContact O-CA 3.46Å; Q67-V70 VanDerWaalsContact O-CB 3.3Å; Q67-V70 WeakPolarHBondContact O-CB 3.47Å; Q67-V70 PolarHBondContact O-N 3.27Å; Q67-Q71 PolarHBondContact O-N 2.86Å; Q67-Q71 VanDerWaalsContact O-N 3.13Å | ||
| 68 | K | 44.1 | Very low | 39.1 | Very low | 177 Ų | 177 | 80.5 Ų | 80.5 | 77% | 0.77 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -49 | -35.4 | -175.6 | -75.6 | -176.8 | 177.3 | 178.8 | 0 | 113.4 | V70 Q71 H72 | K68-V70 VanDerWaalsContact C-N 3.27Å; K68-V70 PolarHBondContact O-N 3.07Å; K68-Q71 PolarHBondContact O-N 3.32Å; K68-H72 WeakPolarHBondContact O-CB 3.48Å; K68-H72 PolarHBondContact O-N 3.38Å |
| 69 | D | 38.3 | Very low | 38.7 | Very low | 100 Ų | 100 | 80.4 Ų | 80.4 | 54% | 0.535 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.1 | -29.4 | 179 | -62.1 | -14.9 | 0 | 0 | 0 | 113.2 | Q67 A73 | Q67-D69 PolarHBondContact O-N 3.03Å; D69-A73 WeakPolarHBondContact O-CB 2.97Å; D69-A73 PolarHBondContact O-N 3.34Å |
| 70 | V | 41.4 | Very low | 38.3 | Very low | 3 Ų | 3 | 80 Ų | 80 | 2% | 0.018 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -80.9 | -42 | 178.3 | -167.1 | 0 | 0 | 0 | 0 | 109.6 | V23 L66 Q67 K68 H72 A73 I74 | V23-V70 HydrophobicContact CG1-CB 4.41Å; V23-V70 HydrophobicContact CG1-CG1 4.26Å; V23-V70 HydrophobicContact CG1-CG2 3.33Å; L66-V70 HydrophobicContact CB-CB 4.26Å; L66-V70 HydrophobicContact CB-CG1 4.44Å; L66-V70 HydrophobicContact CD2-CG1 3.98Å; Q67-V70 HydrophobicContact CB-CG2 4.08Å; Q67-V70 WeakPolarHBondContact O-CA 3.46Å; Q67-V70 VanDerWaalsContact O-CB 3.3Å; Q67-V70 WeakPolarHBondContact O-CB 3.47Å; Q67-V70 PolarHBondContact O-N 3.27Å; K68-V70 VanDerWaalsContact C-N 3.27Å; K68-V70 PolarHBondContact O-N 3.07Å; V70-H72 VanDerWaalsContact C-N 3.29Å; V70-H72 PolarHBondContact O-N 2.81Å; V70-A73 PolarHBondContact O-N 3.19Å; V70-I74 HydrophobicContact CG1-CD1 3.78Å; V70-I74 HydrophobicContact CG1-CG1 4.47Å; V70-I74 VanDerWaalsContact O-CB 3.31Å; V70-I74 WeakPolarHBondContact O-CB 3.43Å; V70-I74 WeakPolarHBondContact O-CD1 3.47Å; V70-I74 WeakPolarHBondContact O-CG1 3.45Å; V70-I74 PolarHBondContact O-N 3.47Å |
| 71 | Q | 41.5 | Very low | 38.1 | Very low | 45 Ų | 45 | 76.7 Ų | 76.7 | 21% | 0.21 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -57.7 | -42.8 | 170.4 | -64.5 | 179.6 | -0 | 0 | 0 | 111.3 | Q63 L66 Q67 K68 R75 | Q63-Q71 PolarHBondContact O-NE2 3.5Å; L66-Q71 HydrophobicContact CB-CG 4Å; L66-Q71 PolarHBondContact O-NE2 3.1Å; Q67-Q71 PolarHBondContact O-N 2.86Å; Q67-Q71 VanDerWaalsContact O-N 3.13Å; K68-Q71 PolarHBondContact O-N 3.32Å; Q71-R75 VanDerWaalsContact O-CB 3.31Å; Q71-R75 WeakPolarHBondContact O-CB 3.05Å; Q71-R75 WeakPolarHBondContact O-CG 3.47Å; Q71-R75 PolarHBondContact O-N 2.89Å |
| 72 | H | 41.4 | Very low | 38 | Very low | 137 Ų | 137 | 75.5 Ų | 75.5 | 63% | 0.634 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -65.1 | -45 | 176.7 | -172.6 | -72.4 | 0 | 0 | 0 | 111.7 | K68 V70 I74 R75 S76 | K68-H72 WeakPolarHBondContact O-CB 3.48Å; K68-H72 PolarHBondContact O-N 3.38Å; V70-H72 VanDerWaalsContact C-N 3.29Å; V70-H72 PolarHBondContact O-N 2.81Å; H72-I74 PolarHBondContact O-N 2.88Å; H72-R75 PolarHBondContact O-N 3.32Å; H72-S76 WeakPolarHBondContact O-CB 3.45Å; H72-S76 PolarHBondContact O-N 2.79Å; H72-S76 PolarHBondContact O-OG 3.25Å; H72-S76 VanDerWaalsContact O-OG 3.08Å |
| 73 | A | 35.4 | Very low | 37.5 | Very low | 10 Ų | 10 | 73.5 Ų | 73.5 | 8% | 0.083 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L9 D69 V70 S76 A77 I79 | L9-A73 HydrophobicContact CD1-CB 4.23Å; D69-A73 WeakPolarHBondContact O-CB 2.97Å; D69-A73 PolarHBondContact O-N 3.34Å; V70-A73 PolarHBondContact O-N 3.19Å; A73-S76 PolarHBondContact O-N 2.76Å; A73-S76 PolarHBondContact O-OG 3.12Å; A73-A77 PolarHBondContact O-N 3.37Å; A73-I79 WeakPolarHBondContact O-CD1 3.12Å |
| 74 | I | 40.7 | Very low | 37.1 | Very low | 28 Ų | 28 | 74.6 Ų | 74.6 | 14% | 0.144 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.7 | -72 | 162.9 | 0 | 0 | 0 | 111.8 | I58 L66 V70 H72 S76 I81 | I58-I74 HydrophobicContact CD1-CB 4.4Å; I58-I74 HydrophobicContact CD1-CD1 3.56Å; I58-I74 HydrophobicContact CD1-CG1 4.05Å; I58-I74 HydrophobicContact CD1-CG2 3.49Å; I58-I74 VanDerWaalsContact CD1-CG2 3.49Å; L66-I74 HydrophobicContact CD1-CD1 3.54Å; V70-I74 HydrophobicContact CG1-CD1 3.78Å; V70-I74 HydrophobicContact CG1-CG1 4.47Å; V70-I74 VanDerWaalsContact O-CB 3.31Å; V70-I74 WeakPolarHBondContact O-CB 3.43Å; V70-I74 WeakPolarHBondContact O-CD1 3.47Å; V70-I74 WeakPolarHBondContact O-CG1 3.45Å; V70-I74 PolarHBondContact O-N 3.47Å; H72-I74 PolarHBondContact O-N 2.88Å; I74-S76 VanDerWaalsContact C-N 3.28Å; I74-S76 PolarHBondContact O-N 3.35Å; I74-I81 HydrophobicContact CD1-CD1 4.15Å; I74-I81 HydrophobicContact CG1-CD1 4.49Å |
| 75 | R | 40.1 | Very low | 36.7 | Very low | 182 Ų | 182 | 72.3 Ų | 72.3 | 69% | 0.687 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -68.6 | -29.6 | 179 | -74.2 | 174.7 | -178.1 | -174.3 | 1.8 | 112.3 | Q71 H72 | Q71-R75 VanDerWaalsContact O-CB 3.31Å; Q71-R75 WeakPolarHBondContact O-CB 3.05Å; Q71-R75 WeakPolarHBondContact O-CG 3.47Å; Q71-R75 PolarHBondContact O-N 2.89Å; H72-R75 PolarHBondContact O-N 3.32Å |
| 76 | S | 36.9 | Very low | 36.4 | Very low | 86 Ų | 86 | 72.1 Ų | 72.1 | 60% | 0.601 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -85.6 | -14.2 | -175.6 | 71.8 | 0 | 0 | 0 | 0 | 115.1 | H72 A73 I74 | H72-S76 WeakPolarHBondContact O-CB 3.45Å; H72-S76 PolarHBondContact O-N 2.79Å; H72-S76 PolarHBondContact O-OG 3.25Å; H72-S76 VanDerWaalsContact O-OG 3.08Å; A73-S76 PolarHBondContact O-N 2.76Å; A73-S76 PolarHBondContact O-OG 3.12Å; I74-S76 VanDerWaalsContact C-N 3.28Å; I74-S76 PolarHBondContact O-N 3.35Å |
| 77 | A | 33.5 | Very low | 35.8 | Very low | 35 Ų | 35 | 74.2 Ų | 74.2 | 29% | 0.289 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -137.3 | 141.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | A73 I79 | A73-A77 PolarHBondContact O-N 3.37Å; A77-I79 HydrophobicContact CB-CD1 3.56Å; A77-I79 HydrophobicContact CB-CG1 3.52Å; A77-I79 PolarHBondContact O-N 3.36Å |
| 78 | A | 31.2 | Very low | 35.2 | Very low | 91 Ų | 91 | 74.1 Ų | 74.1 | 75% | 0.752 | 41% | 0.405 | S | S | * | . | trans | -65.9 | 70.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | I126 | A78-I126 WeakPolarHBondContact O-CD1 3.21Š| ||
| 79 | I | 32.1 | Very low | 34.6 | Very low | 30 Ų | 30 | 69 Ų | 69 | 15% | 0.154 | 40% | 0.396 | C | S | . | . | trans | -95.5 | 115.5 | -173.6 | -67.8 | 166.5 | 0 | 0 | 0 | 107.9 | L9 A73 A77 I81 V128 | L9-I79 HydrophobicContact CD1-CD1 4.1Å; L9-I79 HydrophobicContact CD2-CD1 3.92Å; L9-I79 HydrophobicContact CD2-CG1 4.43Å; L9-I79 HydrophobicContact CD2-CG2 3.59Å; A73-I79 WeakPolarHBondContact O-CD1 3.12Å; A77-I79 HydrophobicContact CB-CD1 3.56Å; A77-I79 HydrophobicContact CB-CG1 3.52Å; A77-I79 PolarHBondContact O-N 3.36Å; I79-I81 HydrophobicContact CG2-CG1 4.1Å; I79-V128 HydrophobicContact CG2-CG2 4.07Å | ||
| 80 | Q | 33.3 | Very low | 34.5 | Very low | 63 Ų | 63 | 70.6 Ų | 70.6 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | trans | -79.5 | 133.1 | 160.4 | -73.4 | 175 | -18.1 | 0 | 0 | 109.1 | L55 I126 V128 | L55-Q80 HydrophobicContact CD1-CG 3.35Å; L55-Q80 HydrophobicContact CD2-CG 3.8Å; L55-Q80 HydrophobicContact CG-CG 4.09Å; Q80-I126 WeakPolarHBondContact CB-O 3.05Å; Q80-I126 PolarHBondContact OE1-O 3.13Å; Q80-V128 WeakPolarHBondContact O-CG2 3.19Å | ||
| 81 | I | 33.8 | Very low | 33.9 | Very low | 49 Ų | 49 | 72.4 Ų | 72.4 | 25% | 0.251 | 42% | 0.424 | S | S | . | . | trans | -105 | 120.9 | 171.4 | -57.7 | -173.9 | 0 | 0 | 0 | 108 | I58 I74 I79 I83 V128 I130 | I58-I81 HydrophobicContact CD1-CD1 3.33Å; I58-I81 HydrophobicContact CD1-CG1 4.23Å; I58-I81 HydrophobicContact CG1-CD1 3.89Å; I58-I81 HydrophobicContact CG1-CG1 4.49Å; I74-I81 HydrophobicContact CD1-CD1 4.15Å; I74-I81 HydrophobicContact CG1-CD1 4.49Å; I79-I81 HydrophobicContact CG2-CG1 4.1Å; I81-I83 HydrophobicContact CG2-CG1 4.03Å; I81-V128 HydrophobicContact CG2-CG1 4.3Å; I81-I130 HydrophobicContact CG2-CD1 4.33Å | ||
| 82 | Q | 32.7 | Very low | 33.4 | Very low | 119 Ų | 119 | 74.8 Ų | 74.8 | 56% | 0.556 | 44% | 0.444 | S | S | * | . | trans | -107 | 127.7 | 167.3 | -71.6 | -178.9 | -7.5 | 0 | 0 | 109 | V128 I130 | Q82-V128 WeakPolarHBondContact CB-O 3.34Å; Q82-V128 VanDerWaalsContact O-O 3.1Å; Q82-I130 WeakPolarHBondContact O-CG1 3.36Å | ||
| 83 | I | 32.1 | Very low | 33 | Very low | 45 Ų | 45 | 73.3 Ų | 73.3 | 23% | 0.231 | 44% | 0.44 | C | S | . | . | trans | -106 | 117.6 | -179.9 | -51 | -164.7 | 0 | 0 | 0 | 107.5 | I42 W62 I81 I130 | I42-I83 HydrophobicContact CD1-CB 4.24Å; I42-I83 HydrophobicContact CD1-CD1 4.08Å; I42-I83 HydrophobicContact CD1-CG2 3.97Å; I42-I83 HydrophobicContact CG2-CB 3.83Å; I42-I83 HydrophobicContact CG2-CG2 4.15Å; I42-I83 WeakPolarHBondContact CG2-O 2.95Å; W62-I83 HydrophobicContact CE3-CD1 4.23Å; W62-I83 HydrophobicContact CH2-CD1 3.21Å; W62-I83 HydrophobicContact CZ2-CD1 4.27Å; W62-I83 HydrophobicContact CZ3-CD1 3.18Å; I81-I83 HydrophobicContact CG2-CG1 4.03Å; I83-I130 HydrophobicContact CB-CD1 3.93Å; I83-I130 HydrophobicContact CD1-CD1 4.11Å; I83-I130 HydrophobicContact CG1-CD1 3.54Å; I83-I130 HydrophobicContact CG2-CD1 3.99Å | ||
| 84 | V | 31.8 | Very low | 32.7 | Very low | 85 Ų | 85 | 79.6 Ų | 79.6 | 52% | 0.515 | 47% | 0.466 | S | S | . | . | trans | -105.2 | 115.4 | 178.2 | -176.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 85 | C | 29.5 | Very low | 32.1 | Very low | 20 Ų | 20 | 84.9 Ų | 84.9 | 14% | 0.135 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -91.2 | 135.7 | 171 | -82.2 | 0 | 0 | 0 | 0 | 111.2 | C39 V43 C87 | C39-C85 WeakPolarHBondContact CA-SG 3.31Å; C39-C85 HydrophobicContact CB-CB 3.55Å; C39-C85 WeakPolarHBondContact CB-SG 3.39Å; C39-C85 WeakPolarHBondContact SG-CB 3.31Å; C39-C85 CovalentContact SG-SG 2.05Å; C39-C85 PolarHBondContact SG-SG 3.03Å; V43-C85 HydrophobicContact CG2-CB 4.44Å; C85-C87 PolarHBondContact O-N 3.39Å |
| 86 | P | 31.1 | Very low | 31.6 | Very low | 92 Ų | 92 | 81 Ų | 81 | 60% | 0.597 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 118.4 | 168.7 | 29.1 | -29.9 | 0 | 0 | 0 | 109.7 | L132 | P86-L132 HydrophobicContact CG-CD1 3.76Š|
| 87 | C | 28.5 | Very low | 31.3 | Very low | 62 Ų | 62 | 83.2 Ų | 83.2 | 42% | 0.419 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 136.7 | 172 | -71 | 0 | 0 | 0 | 0 | 111 | C85 | C85-C87 PolarHBondContact O-N 3.39Š|
| 88 | P | 30.5 | Very low | 31.1 | Very low | 97 Ų | 97 | 87.2 Ų | 87.2 | 63% | 0.63 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -79.4 | 128.6 | 172.7 | 32.7 | -32.4 | 0 | 0 | 0 | 111.3 | L171 | P88-L171 HydrophobicContact CB-CD1 4.39Å; P88-L171 HydrophobicContact CB-CD2 3.43Å; P88-L171 VanDerWaalsContact CB-CD2 3.43Å; P88-L171 HydrophobicContact CB-CG 4.49Å |
| 89 | A | 30.1 | Very low | 30.9 | Very low | 71 Ų | 71 | 87 Ų | 87 | 59% | 0.587 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 75.3 | 155.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | S91 | A89-S91 PolarHBondContact O-N 3.26Š|
| 90 | P | 38 | Very low | 30.9 | Very low | 133 Ų | 133 | 90.4 Ų | 90.4 | 86% | 0.864 | 50% | 0.496 | S | S | * | . | trans | -69.9 | 94.9 | -148.1 | 29.8 | -33.8 | 0 | 0 | 0 | 111.6 | ||||
| 91 | S | 28.2 | Very low | 30.9 | Very low | 40 Ų | 40 | 92.7 Ų | 92.7 | 28% | 0.28 | 51% | 0.509 | S | S | . | . | trans | -75.4 | 136.5 | 174.5 | 161.7 | 0 | 0 | 0 | 0 | 109.7 | A89 I93 F94 | A89-S91 PolarHBondContact O-N 3.26Å; S91-I93 PolarHBondContact O-N 2.05Å; S91-I93 VanDerWaalsContact OG-CD1 3.31Å; S91-I93 WeakPolarHBondContact OG-CD1 3.39Å; S91-I93 VanDerWaalsContact OG-CG1 3.25Å; S91-I93 WeakPolarHBondContact OG-CG1 3.14Å; S91-I93 PolarHBondContact OG-N 3.02Å; S91-F94 PolarHBondContact O-N 2.69Å | ||
| 92 | P | 31.7 | Very low | 30.5 | Very low | 96 Ų | 96 | 96 Ų | 96 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -2.6 | 176.3 | 20.9 | -31.4 | 0 | 0 | 0 | 114.7 | F94 E95 L96 | P92-F94 PolarHBondContact O-N 2.82Å; P92-E95 PolarHBondContact O-N 3.42Å; P92-E95 VanDerWaalsContact O-N 3.09Å; P92-L96 PolarHBondContact O-N 2.85Å |
| 93 | I | 31.2 | Very low | 30.5 | Very low | 106 Ų | 106 | 97 Ų | 97 | 54% | 0.544 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -57 | -25.4 | 164.6 | -65.1 | 170.3 | 0 | 0 | 0 | 112.1 | S91 L96 K97 | S91-I93 PolarHBondContact O-N 2.05Å; S91-I93 VanDerWaalsContact OG-CD1 3.31Å; S91-I93 WeakPolarHBondContact OG-CD1 3.39Å; S91-I93 VanDerWaalsContact OG-CG1 3.25Å; S91-I93 WeakPolarHBondContact OG-CG1 3.14Å; S91-I93 PolarHBondContact OG-N 3.02Å; I93-L96 WeakPolarHBondContact O-CB 3.36Å; I93-L96 PolarHBondContact O-N 2.97Å; I93-K97 PolarHBondContact O-N 3.32Å |
| 94 | F | 29 | Very low | 30.5 | Very low | 142 Ų | 142 | 103.6 Ų | 103.6 | 62% | 0.623 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -73.8 | -35 | 173.6 | -153.2 | -93.7 | 0 | 0 | 0 | 112.8 | S91 P92 K97 Q98 | S91-F94 PolarHBondContact O-N 2.69Å; P92-F94 PolarHBondContact O-N 2.82Å; F94-K97 PolarHBondContact O-N 3.47Å; F94-Q98 PolarHBondContact O-N 3.42Å |
| 95 | E | 28.8 | Very low | 30.6 | Very low | 139 Ų | 139 | 103.4 Ų | 103.4 | 65% | 0.65 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.7 | -34.9 | 169.8 | -69.4 | -172.6 | 159.1 | 0 | 0 | 111.1 | P92 K97 Q98 L99 | P92-E95 PolarHBondContact O-N 3.42Å; P92-E95 VanDerWaalsContact O-N 3.09Å; E95-K97 VanDerWaalsContact C-N 3.32Å; E95-K97 PolarHBondContact O-N 2.73Å; E95-Q98 PolarHBondContact O-N 3.49Å; E95-Q98 VanDerWaalsContact O-N 3.15Å; E95-L99 WeakPolarHBondContact O-CB 2.94Å; E95-L99 PolarHBondContact O-N 3.44Å |
| 96 | L | 30.5 | Very low | 30.7 | Very low | 99 Ų | 99 | 108.1 Ų | 108.1 | 52% | 0.518 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -62 | -39.1 | 174.6 | -147.4 | 84.2 | 0 | 0 | 0 | 111.9 | P92 I93 L99 I100 | P92-L96 PolarHBondContact O-N 2.85Å; I93-L96 WeakPolarHBondContact O-CB 3.36Å; I93-L96 PolarHBondContact O-N 2.97Å; L96-L99 PolarHBondContact O-N 3.24Å; L96-I100 HydrophobicContact CG-CD1 4.42Å; L96-I100 WeakPolarHBondContact O-CB 3.41Å; L96-I100 WeakPolarHBondContact O-CD1 3.08Å; L96-I100 WeakPolarHBondContact O-CG1 3.42Å; L96-I100 PolarHBondContact O-N 2.97Å |
| 97 | K | 30.8 | Very low | 30.8 | Very low | 133 Ų | 133 | 110.5 Ų | 110.5 | 58% | 0.578 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.1 | -38.8 | 173.9 | -122.4 | 179.4 | -178.2 | -179.1 | 0 | 112.1 | I93 F94 E95 I101 | I93-K97 PolarHBondContact O-N 3.32Å; F94-K97 PolarHBondContact O-N 3.47Å; E95-K97 VanDerWaalsContact C-N 3.32Å; E95-K97 PolarHBondContact O-N 2.73Å; K97-I101 WeakPolarHBondContact O-CD1 3.04Å; K97-I101 WeakPolarHBondContact O-CG1 3.44Å; K97-I101 PolarHBondContact O-N 2.88Å |
| 98 | Q | 27.7 | Very low | 31 | Very low | 119 Ų | 119 | 114.6 Ų | 114.6 | 56% | 0.556 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.9 | -36.1 | 175.9 | -71.5 | -144.6 | -10.2 | 0 | 0 | 113 | F94 E95 I100 I101 Q102 | F94-Q98 PolarHBondContact O-N 3.42Å; E95-Q98 PolarHBondContact O-N 3.49Å; E95-Q98 VanDerWaalsContact O-N 3.15Å; Q98-I100 PolarHBondContact O-N 3.29Å; Q98-I101 PolarHBondContact O-N 2.9Å; Q98-Q102 WeakPolarHBondContact O-CB 3.21Å; Q98-Q102 PolarHBondContact O-N 3.38Å |
| 99 | L | 28.5 | Very low | 31.1 | Very low | 88 Ų | 88 | 113.6 Ų | 113.6 | 46% | 0.461 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64 | -37.6 | 173.9 | -106.1 | 143.9 | 0 | 0 | 0 | 112.5 | E95 L96 K103 | E95-L99 WeakPolarHBondContact O-CB 2.94Å; E95-L99 PolarHBondContact O-N 3.44Å; L96-L99 PolarHBondContact O-N 3.24Å; L99-K103 VanDerWaalsContact O-CB 3.31Å; L99-K103 WeakPolarHBondContact O-CB 3.34Å; L99-K103 WeakPolarHBondContact O-CG 3.17Å; L99-K103 PolarHBondContact O-N 3.3Å |
| 100 | I | 32.1 | Very low | 31 | Very low | 100 Ų | 100 | 117.5 Ų | 117.5 | 51% | 0.513 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70.7 | -34.2 | 176.1 | -68.9 | 165.5 | 0 | 0 | 0 | 111.1 | L96 Q98 R104 | L96-I100 HydrophobicContact CG-CD1 4.42Å; L96-I100 WeakPolarHBondContact O-CB 3.41Å; L96-I100 WeakPolarHBondContact O-CD1 3.08Å; L96-I100 WeakPolarHBondContact O-CG1 3.42Å; L96-I100 PolarHBondContact O-N 2.97Å; Q98-I100 PolarHBondContact O-N 3.29Å; I100-R104 WeakPolarHBondContact O-CB 3.1Å; I100-R104 PolarHBondContact O-N 3.3Å |
| 101 | I | 31.9 | Very low | 30.6 | Very low | 111 Ų | 111 | 116.1 Ų | 116.1 | 57% | 0.569 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -77.6 | -39.5 | 177.6 | -67.4 | 168 | 0 | 0 | 0 | 111.6 | K97 Q98 R104 T105 | K97-I101 WeakPolarHBondContact O-CD1 3.04Å; K97-I101 WeakPolarHBondContact O-CG1 3.44Å; K97-I101 PolarHBondContact O-N 2.88Å; Q98-I101 PolarHBondContact O-N 2.9Å; I101-R104 PolarHBondContact O-N 3.49Å; I101-T105 PolarHBondContact O-N 3.32Å; I101-T105 VanDerWaalsContact O-N 3.1Å; I101-T105 PolarHBondContact O-OG1 2.85Å |
| 102 | Q | 25.8 | Very low | 30.6 | Very low | 119 Ų | 119 | 122.9 Ų | 122.9 | 56% | 0.556 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.5 | -40.5 | 173.3 | -87 | -178 | -20.9 | 0 | 0 | 112.5 | Q98 R104 T105 N106 | Q98-Q102 WeakPolarHBondContact O-CB 3.21Å; Q98-Q102 PolarHBondContact O-N 3.38Å; Q102-R104 VanDerWaalsContact C-N 3.35Å; Q102-R104 PolarHBondContact O-N 3.27Å; Q102-T105 WeakPolarHBondContact CA-OG1 3.36Å; Q102-T105 PolarHBondContact O-N 3.06Å; Q102-T105 PolarHBondContact O-OG1 3.41Å; Q102-N106 PolarHBondContact O-N 3.08Å |
| 103 | K | 32.8 | Very low | 30.3 | Very low | 140 Ų | 140 | 121.3 Ų | 121.3 | 61% | 0.609 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -67.5 | -33.8 | 175.5 | -79.2 | -171.5 | 175.1 | -177.2 | 0 | 112.3 | L99 L107 | L99-K103 VanDerWaalsContact O-CB 3.31Å; L99-K103 WeakPolarHBondContact O-CB 3.34Å; L99-K103 WeakPolarHBondContact O-CG 3.17Å; L99-K103 PolarHBondContact O-N 3.3Å; K103-L107 WeakPolarHBondContact O-CB 3.32Å; K103-L107 WeakPolarHBondContact O-CD1 3.31Å; K103-L107 VanDerWaalsContact O-CG 3.26Å; K103-L107 WeakPolarHBondContact O-CG 3.18Å; K103-L107 PolarHBondContact O-N 3.03Å; K103-L107 VanDerWaalsContact O-N 3.15Å |
| 104 | R | 32.3 | Very low | 30.1 | Very low | 183 Ų | 183 | 122.6 Ų | 122.6 | 69% | 0.691 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -68.6 | -36.1 | 173.5 | -106 | -176.6 | 172.1 | 177.6 | -1.3 | 113.4 | I100 I101 Q102 L108 | I100-R104 WeakPolarHBondContact O-CB 3.1Å; I100-R104 PolarHBondContact O-N 3.3Å; I101-R104 PolarHBondContact O-N 3.49Å; Q102-R104 VanDerWaalsContact C-N 3.35Å; Q102-R104 PolarHBondContact O-N 3.27Å; R104-L108 WeakPolarHBondContact O-CB 3.18Å; R104-L108 WeakPolarHBondContact O-CD1 3.15Å; R104-L108 VanDerWaalsContact O-CG 3.22Å; R104-L108 WeakPolarHBondContact O-CG 3.09Å; R104-L108 PolarHBondContact O-N 3Å |
| 105 | T | 33.4 | Very low | 30 | Very low | 81 Ų | 81 | 125.8 Ų | 125.8 | 50% | 0.497 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -75.4 | -34.8 | 178.8 | 28.8 | 0 | 0 | 0 | 0 | 112.4 | I101 Q102 L107 L108 S109 | I101-T105 PolarHBondContact O-N 3.32Å; I101-T105 VanDerWaalsContact O-N 3.1Å; I101-T105 PolarHBondContact O-OG1 2.85Å; Q102-T105 WeakPolarHBondContact CA-OG1 3.36Å; Q102-T105 PolarHBondContact O-N 3.06Å; Q102-T105 PolarHBondContact O-OG1 3.41Å; T105-L107 VanDerWaalsContact C-N 3.34Å; T105-L108 PolarHBondContact O-N 2.77Å; T105-S109 WeakPolarHBondContact O-CB 3.3Å; T105-S109 PolarHBondContact O-N 2.78Å; T105-S109 VanDerWaalsContact O-N 3.17Å; T105-S109 PolarHBondContact O-OG 3.24Å |
| 106 | N | 32.7 | Very low | 29.8 | Very low | 119 Ų | 119 | 126.5 Ų | 126.5 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.2 | -25.2 | 171.5 | -80.1 | -18.6 | 0 | 0 | 0 | 114 | Q102 S109 | Q102-N106 PolarHBondContact O-N 3.08Å; N106-S109 PolarHBondContact O-OG 2.92Å |
| 107 | L | 31.7 | Very low | 29.4 | Very low | 143 Ų | 143 | 132.8 Ų | 132.8 | 75% | 0.749 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -80.5 | -17.2 | 173.9 | -77.8 | 165.6 | 0 | 0 | 0 | 113.3 | K103 T105 | K103-L107 WeakPolarHBondContact O-CB 3.32Å; K103-L107 WeakPolarHBondContact O-CD1 3.31Å; K103-L107 VanDerWaalsContact O-CG 3.26Å; K103-L107 WeakPolarHBondContact O-CG 3.18Å; K103-L107 PolarHBondContact O-N 3.03Å; K103-L107 VanDerWaalsContact O-N 3.15Å; T105-L107 VanDerWaalsContact C-N 3.34Å |
| 108 | L | 33 | Very low | 29.1 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 77% | 0.77 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -103.4 | -10.5 | -179.4 | -68.9 | 170.7 | 0 | 0 | 0 | 113.4 | R104 T105 | R104-L108 WeakPolarHBondContact O-CB 3.18Å; R104-L108 WeakPolarHBondContact O-CD1 3.15Å; R104-L108 VanDerWaalsContact O-CG 3.22Å; R104-L108 WeakPolarHBondContact O-CG 3.09Å; R104-L108 PolarHBondContact O-N 3Å; T105-L108 PolarHBondContact O-N 2.77Å |
| 109 | S | 32.5 | Very low | 28.9 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 54% | 0.538 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -94.6 | -0.5 | 178.6 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | T105 N106 P111 | T105-S109 WeakPolarHBondContact O-CB 3.3Å; T105-S109 PolarHBondContact O-N 2.78Å; T105-S109 VanDerWaalsContact O-N 3.17Å; T105-S109 PolarHBondContact O-OG 3.24Å; N106-S109 PolarHBondContact O-OG 2.92Å; S109-P111 WeakPolarHBondContact O-CD 3.41Å |
| 110 | H | 28.6 | Very low | 28.6 | Very low | 153 Ų | 153 | 141.2 Ų | 141.2 | 71% | 0.708 | 72% | 0.72 | S | S | * | * | trans | -80.1 | 110.6 | -179 | -138.5 | -63.2 | 0 | 0 | 0 | 110.5 | Q112 | H110-Q112 PolarHBondContact O-N 3.15Š| ||
| 111 | P | 29.4 | Very low | 28.2 | Very low | 103 Ų | 103 | 145.3 Ų | 145.3 | 67% | 0.669 | 74% | 0.737 | S | S | * | * | trans | -78 | 119.4 | 177.9 | 31.5 | -26.4 | 0 | 0 | 0 | 107.4 | S109 | S109-P111 WeakPolarHBondContact O-CD 3.41Š| ||
| 112 | Q | 27.9 | Very low | 27.9 | Very low | 183 Ų | 183 | 152 Ų | 152 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | S | Bend | trans | 68.4 | 132.4 | 167.6 | -52.6 | 177.4 | -7.5 | 0 | 0 | 115.9 | H110 | H110-Q112 PolarHBondContact O-N 3.15Š|
| 113 | G | 26 | Very low | 27.8 | Very low | 62 Ų | 62 | 153.2 Ų | 153.2 | 64% | 0.639 | 76% | 0.763 | S | S | * | * | trans | 108.3 | 94 | 153.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 114 | T | 26.5 | Very low | 27.5 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | 76.1 | 51.9 | 126.2 | -22.1 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 115 | F | 27.4 | Very low | 27.3 | Very low | 210 Ų | 210 | 147.7 Ų | 147.7 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | -146.6 | 21.4 | 159.8 | -111.4 | -80.5 | 0 | 0 | 0 | 116.7 | ||||
| 116 | V | 24.4 | Very low | 27 | Very low | 153 Ų | 153 | 145 Ų | 145 | 93% | 0.927 | 75% | 0.745 | S | S | * | * | trans | -103.3 | 74.4 | 170.2 | -170.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 117 | R | 23.2 | Very low | 26.7 | Very low | 232 Ų | 232 | 140.1 Ų | 140.1 | 88% | 0.875 | 72% | 0.722 | S | S | * | * | trans | -127.3 | 120.3 | 161 | -101.3 | -175.3 | 176.5 | -177.3 | -0.5 | 108.2 | ||||
| 118 | T | 23.9 | Very low | 26.6 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 78% | 0.779 | 69% | 0.687 | S | S | * | * | trans | 90.1 | 74.1 | 155.5 | -13.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 119 | V | 24.1 | Very low | 26.6 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 89% | 0.885 | 67% | 0.673 | S | S | * | * | trans | -134.9 | 77.2 | 139.4 | -172.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 120 | R | 21.4 | Very low | 26.6 | Very low | 243 Ų | 243 | 127.3 Ų | 127.3 | 92% | 0.917 | 65% | 0.652 | S | S | * | * | trans | -95.3 | 90.1 | 165.4 | -90.2 | -170.4 | 175.7 | -174.1 | 0.6 | 107.1 | ||||
| 121 | Q | 24.6 | Very low | 26.8 | Very low | 186 Ų | 186 | 124.1 Ų | 124.1 | 87% | 0.869 | 64% | 0.643 | S | S | * | * | trans | -152.7 | 134.2 | 160.3 | -109 | 166.1 | 5.8 | 0 | 0 | 110.3 | ||||
| 122 | R | 24.3 | Very low | 26.8 | Very low | 251 Ų | 251 | 122 Ų | 122 | 95% | 0.947 | 63% | 0.626 | S | S | * | * | trans | -82.8 | 111.8 | -171.5 | -66.3 | 172.2 | 172.2 | 177 | -3 | 109.3 | ||||
| 123 | M | 23.5 | Very low | 27 | Very low | 146 Ų | 146 | 115.5 Ų | 115.5 | 72% | 0.719 | 60% | 0.599 | S | S | * | * | trans | -143.2 | 129.2 | 162.9 | -77.3 | -157.9 | 175.2 | 0 | 0 | 111.4 | V125 | M123-V125 PolarHBondContact O-N 2.82Š| ||
| 124 | P | 27.5 | Very low | 27.1 | Very low | 99 Ų | 99 | 116.3 Ų | 116.3 | 64% | 0.643 | 61% | 0.607 | S | S | * | * | trans | -82 | 102.3 | 173.3 | 31.4 | -29 | 0 | 0 | 0 | 109.7 | ||||
| 125 | V | 27.3 | Very low | 27.3 | Very low | 107 Ų | 107 | 118.1 Ų | 118.1 | 65% | 0.648 | 61% | 0.611 | S | S | * | * | trans | -71.8 | 126.8 | 170.1 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | M123 | M123-V125 PolarHBondContact O-N 2.82Š| ||
| 126 | I | 26.5 | Very low | 27.4 | Very low | 26 Ų | 26 | 110.1 Ų | 110.1 | 13% | 0.133 | 59% | 0.588 | C | S | . | * | trans | -120 | 108.8 | 179.5 | -70.4 | 167.7 | 0 | 0 | 0 | 106.9 | L10 A78 Q80 | L10-I126 WeakPolarHBondContact O-CG2 3.41Å; A78-I126 WeakPolarHBondContact O-CD1 3.21Å; Q80-I126 WeakPolarHBondContact CB-O 3.05Å; Q80-I126 PolarHBondContact OE1-O 3.13Å | ||
| 127 | G | 27.1 | Very low | 27.6 | Very low | 15 Ų | 15 | 108.6 Ų | 108.6 | 16% | 0.155 | 58% | 0.581 | C | S | . | * | trans | -101.5 | 154.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | L10 | L10-G127 WeakPolarHBondContact CB-O 3.45Å; L10-G127 WeakPolarHBondContact CD1-O 3.41Å; L10-G127 WeakPolarHBondContact CG-O 3.37Å; L10-G127 PolarHBondContact N-O 2.8Å | ||
| 128 | V | 30.8 | Very low | 27.8 | Very low | 2 Ų | 2 | 105.5 Ų | 105.5 | 1% | 0.012 | 58% | 0.576 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.5 | 129.8 | 170.4 | 166.9 | 0 | 0 | 0 | 0 | 107.8 | L7 V8 L9 I79 Q80 I81 Q82 I130 | L7-V128 HydrophobicContact CD2-CG1 4.06Å; L7-V128 HydrophobicContact CG-CG1 4Å; V8-V128 WeakPolarHBondContact O-CA 3.04Å; V8-V128 WeakPolarHBondContact O-CG1 3.27Å; L9-V128 HydrophobicContact CD2-CG2 3.86Å; I79-V128 HydrophobicContact CG2-CG2 4.07Å; Q80-V128 WeakPolarHBondContact O-CG2 3.19Å; I81-V128 HydrophobicContact CG2-CG1 4.3Å; Q82-V128 WeakPolarHBondContact CB-O 3.34Å; Q82-V128 VanDerWaalsContact O-O 3.1Å; V128-I130 HydrophobicContact CG1-CG1 4.2Å |
| 129 | V | 32.1 | Very low | 28 | Very low | 78 Ų | 78 | 109.2 Ų | 109.2 | 47% | 0.473 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.5 | 122 | 173.8 | -179.9 | 0 | 0 | 0 | 0 | 107.8 | L10 V131 | L10-V129 HydrophobicContact CD1-CG2 4.43Å; V129-V131 HydrophobicContact CG1-CG2 4.36Å |
| 130 | I | 33.1 | Very low | 28.2 | Very low | 19 Ų | 19 | 107.2 Ų | 107.2 | 10% | 0.097 | 57% | 0.57 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.2 | 172.8 | -63.5 | -170.9 | 0 | 0 | 0 | 108.8 | L7 I81 Q82 I83 V128 L132 | L7-I130 HydrophobicContact CD1-CD1 4.1Å; I81-I130 HydrophobicContact CG2-CD1 4.33Å; Q82-I130 WeakPolarHBondContact O-CG1 3.36Å; I83-I130 HydrophobicContact CB-CD1 3.93Å; I83-I130 HydrophobicContact CD1-CD1 4.11Å; I83-I130 HydrophobicContact CG1-CD1 3.54Å; I83-I130 HydrophobicContact CG2-CD1 3.99Å; V128-I130 HydrophobicContact CG1-CG1 4.2Å; I130-L132 HydrophobicContact CG2-CD2 3.93Å |
| 131 | V | 32 | Very low | 28.3 | Very low | 86 Ų | 86 | 107.4 Ų | 107.4 | 52% | 0.521 | 57% | 0.571 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105 | 119.2 | 173.1 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | V129 | V129-V131 HydrophobicContact CG1-CG2 4.36Å |
| 132 | L | 30.6 | Very low | 28.3 | Very low | 59 Ų | 59 | 103.4 Ų | 103.4 | 31% | 0.309 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -81.4 | 146.5 | 178 | -63.4 | -167.3 | 0 | 0 | 0 | 111.9 | L5 P86 I130 | L5-L132 HydrophobicContact CD2-CD2 3.21Å; P86-L132 HydrophobicContact CG-CD1 3.76Å; I130-L132 HydrophobicContact CG2-CD2 3.93Å |
| 133 | P | 31.2 | Very low | 28.3 | Very low | 46 Ų | 46 | 102.2 Ų | 102.2 | 30% | 0.299 | 56% | 0.559 | S | S | . | * | P | Polyproline II helix | trans | -75.2 | 140.8 | -167 | 25.6 | -33 | 0 | 0 | 0 | 115 | L3 R4 | L3-P133 HydrophobicContact CD1-CG 3.48Å; L3-P133 VanDerWaalsContact CD1-CG 3.48Å; L3-P133 HydrophobicContact CG-CG 3.72Å; R4-P133 HydrophobicContact CB-CB 4.41Å; R4-P133 WeakPolarHBondContact O-CB 3.31Å; R4-P133 WeakPolarHBondContact O-CD 3.37Å; R4-P133 WeakPolarHBondContact O-CG 3.49Å |
| 134 | G | 28.8 | Very low | 28.3 | Very low | 78 Ų | 78 | 103.8 Ų | 103.8 | 80% | 0.804 | 57% | 0.569 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 142.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 135 | L | 30.3 | Very low | 28.1 | Very low | 172 Ų | 172 | 105.4 Ų | 105.4 | 90% | 0.901 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 121.5 | 178.3 | -69.4 | 163.8 | 0 | 0 | 0 | 111.1 | ||
| 136 | G | 28.9 | Very low | 27.8 | Very low | 42 Ų | 42 | 110.6 Ų | 110.6 | 43% | 0.433 | 58% | 0.582 | S | S | . | * | trans | 81.3 | 124 | 149.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | Q138 | G136-Q138 PolarHBondContact O-N 3.16Š| ||
| 137 | P | 28.4 | Very low | 27.6 | Very low | 120 Ų | 120 | 114.6 Ų | 114.6 | 78% | 0.779 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | 14.3 | -177.4 | 30.7 | -35.5 | 0 | 0 | 0 | 115.6 | ||
| 138 | Q | 28.5 | Very low | 27.4 | Very low | 167 Ų | 167 | 124.5 Ų | 124.5 | 78% | 0.78 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.8 | -3.4 | -172.7 | -63 | -169.4 | 3.8 | 0 | 0 | 114.4 | G136 | G136-Q138 PolarHBondContact O-N 3.16Š|
| 139 | Y | 27.2 | Very low | 27 | Very low | 205 Ų | 205 | 129.6 Ų | 129.6 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -116.7 | 5.6 | -172 | -75.4 | -80 | 0 | 0 | 0 | 116.3 | ||
| 140 | S | 28.6 | Very low | 26.6 | Very low | 105 Ų | 105 | 137.3 Ų | 137.3 | 73% | 0.734 | 71% | 0.707 | S | S | * | * | trans | -105.3 | 21.5 | -177.7 | 62 | 0 | 0 | 0 | 0 | 115 | S142 | S140-S142 PolarHBondContact O-N 3.33Š| ||
| 141 | R | 24 | Very low | 26.1 | Very low | 247 Ų | 247 | 145.1 Ų | 145.1 | 93% | 0.932 | 74% | 0.743 | S | S | * | * | trans | -82.6 | 15.2 | 173.3 | -83.6 | -172.8 | 174.3 | -178.9 | -0.8 | 114.3 | R143 | R141-R143 PolarHBondContact O-N 3.42Š| ||
| 142 | S | 24.6 | Very low | 25.8 | Very low | 101 Ų | 101 | 149.8 Ų | 149.8 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -92.2 | 94.1 | 177.1 | -44.6 | 0 | 0 | 0 | 0 | 110.6 | S140 L144 | S140-S142 PolarHBondContact O-N 3.33Å; S142-L144 PolarHBondContact O-N 2.9Å | ||
| 143 | R | 23.5 | Very low | 25.5 | Very low | 226 Ų | 226 | 151.8 Ų | 151.8 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | -3 | 115.1 | 155.8 | -66.2 | 173.2 | 168.7 | 179.1 | -4.4 | 116.3 | R141 | R141-R143 PolarHBondContact O-N 3.42Š| ||
| 144 | L | 24 | Very low | 25.1 | Very low | 180 Ų | 180 | 161.8 Ų | 161.8 | 94% | 0.942 | 81% | 0.807 | S | S | * | * | trans | -123.9 | 86.2 | 145.5 | -89.5 | 165.7 | 0 | 0 | 0 | 108.3 | S142 | S142-L144 PolarHBondContact O-N 2.9Š| ||
| 145 | N | 22.1 | Very low | 24.8 | Very low | 133 Ų | 133 | 161.9 Ų | 161.9 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -66.2 | 133.1 | 157.2 | -82.6 | -23.5 | 0 | 0 | 0 | 108.4 | ||||
| 146 | Y | 22.7 | Very low | 24.4 | Very low | 216 Ų | 216 | 165.9 Ų | 165.9 | 85% | 0.847 | 80% | 0.804 | S | S | * | * | trans | 171.3 | 102.9 | 131.6 | -112.6 | -103.8 | 0 | 0 | 0 | 107.9 | ||||
| 147 | C | 22.2 | Very low | 24.1 | Very low | 110 Ų | 110 | 170 Ų | 170 | 74% | 0.743 | 81% | 0.814 | S | S | * | * | 75.8 | 94.5 | 92.4 | -84.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 148 | F | 22.5 | Very low | 23.9 | Very low | 222 Ų | 222 | 167.8 Ų | 167.8 | 97% | 0.974 | 81% | 0.805 | S | S | * | * | trans | -59.8 | 126.1 | 152.8 | -86.2 | -96.8 | 0 | 0 | 0 | 109.9 | ||||
| 149 | S | 22.5 | Very low | 23.8 | Very low | 110 Ų | 110 | 165.7 Ų | 165.7 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -143.3 | 108.9 | 156.2 | 68.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 150 | R | 22.4 | Very low | 23.7 | Very low | 239 Ų | 239 | 164.6 Ų | 164.6 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | trans | 22.1 | 108.9 | 144.6 | -62.7 | 178.9 | 176.4 | -175.5 | -1.8 | 116.8 | ||||
| 151 | Q | 24 | Very low | 23.6 | Very low | 184 Ų | 184 | 166.2 Ų | 166.2 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | 166.2 | 105.8 | 122.1 | -90.3 | 175.6 | 17.4 | 0 | 0 | 110.7 | |||||
| 152 | Q | 24.4 | Very low | 23.7 | Very low | 184 Ų | 184 | 159.9 Ų | 159.9 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | 55 | 180 | 143.7 | -53.2 | -162.1 | -13.5 | 0 | 0 | 118.5 | ||||
| 153 | P | 25.2 | Very low | 23.7 | Very low | 100 Ų | 100 | 161.9 Ų | 161.9 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | -130.5 | 161.7 | -94.4 | 35.3 | -15 | 0 | 0 | 0 | 113.6 | A155 | P153-A155 PolarHBondContact O-N 3.13Š| |||
| 154 | R | 22.2 | Very low | 23.8 | Very low | 256 Ų | 256 | 157.1 Ų | 157.1 | 97% | 0.966 | 77% | 0.769 | S | S | * | * | trans | 46.5 | 65.9 | 155.1 | -66.6 | -179.3 | 168.2 | 178.8 | -2.6 | 116.3 | ||||
| 155 | A | 22.6 | Very low | 23.9 | Very low | 81 Ų | 81 | 154 Ų | 154 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | -101.4 | 113.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | P153 M157 | P153-A155 PolarHBondContact O-N 3.13Å; A155-M157 PolarHBondContact O-N 2.8Å | ||
| 156 | R | 22.5 | Very low | 24 | Very low | 255 Ų | 255 | 154 Ų | 154 | 96% | 0.962 | 76% | 0.757 | S | S | * | * | trans | -59.1 | 101.6 | 163.8 | -79.7 | 171.8 | 163.2 | 172 | -5.2 | 107.6 | A158 | R156-A158 PolarHBondContact O-N 3.37Š| ||
| 157 | M | 22.9 | Very low | 24.1 | Very low | 130 Ų | 130 | 151.2 Ų | 151.2 | 64% | 0.64 | 75% | 0.75 | S | S | * | * | trans | -85 | 107.6 | 175 | -79.5 | -168.1 | -94.6 | 0 | 0 | 110.5 | A155 E161 | A155-M157 PolarHBondContact O-N 2.8Å; M157-E161 HydrophobicContact SD-CG 4.3Å | ||
| 158 | A | 24.4 | Very low | 24.1 | Very low | 73 Ų | 73 | 153 Ų | 153 | 60% | 0.603 | 75% | 0.747 | S | S | * | * | trans | -64.4 | 123.3 | 161 | 0 | 0 | 0 | 0 | 0 | 108.5 | R156 E160 | R156-A158 PolarHBondContact O-N 3.37Å; A158-E160 PolarHBondContact O-N 3.38Å | ||
| 159 | L | 26.3 | Very low | 24.1 | Very low | 123 Ų | 123 | 152.3 Ų | 152.3 | 64% | 0.644 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 35.5 | 17.6 | 141.2 | -83.1 | 155.8 | 0 | 0 | 0 | 121.3 | ||
| 160 | E | 24.7 | Very low | 24.1 | Very low | 181 Ų | 181 | 157.4 Ų | 157.4 | 85% | 0.846 | 74% | 0.741 | S | S | * | * | trans | -107.6 | -3.6 | 178.8 | -72 | -175.2 | 159 | 0 | 0 | 112.7 | A158 | A158-E160 PolarHBondContact O-N 3.38Š| ||
| 161 | E | 25.1 | Very low | 24.1 | Very low | 139 Ų | 139 | 151.8 Ų | 151.8 | 65% | 0.65 | 73% | 0.728 | S | S | * | * | trans | -112.4 | 45.6 | 179.1 | -69.9 | -174 | 146.3 | 0 | 0 | 113.2 | M157 D163 | M157-E161 HydrophobicContact SD-CG 4.3Å; E161-D163 VanDerWaalsContact C-N 3.27Å | ||
| 162 | I | 26.6 | Very low | 24 | Very low | 115 Ų | 115 | 150 Ų | 150 | 59% | 0.59 | 72% | 0.724 | S | S | * | * | trans | -102.5 | 58.1 | 158.6 | -58.5 | -175.1 | 0 | 0 | 0 | 107.2 | F164 | I162-F164 HydrophobicContact CB-CD2 4.43Å; I162-F164 HydrophobicContact CG2-CD2 3.33Å; I162-F164 HydrophobicContact CG2-CE2 3.86Å; I162-F164 HydrophobicContact CG2-CG 4.37Å; I162-F164 PolarHBondContact O-N 3Å | ||
| 163 | D | 24.1 | Very low | 23.8 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 76% | 0.759 | 72% | 0.715 | S | S | * | * | trans | -65.9 | 69.3 | 155.4 | -96.5 | -38 | 0 | 0 | 0 | 108.3 | E161 L165 | E161-D163 VanDerWaalsContact C-N 3.27Å; D163-L165 PolarHBondContact O-N 3.25Å | ||
| 164 | F | 26.1 | Very low | 23.7 | Very low | 126 Ų | 126 | 151.8 Ų | 151.8 | 55% | 0.553 | 73% | 0.727 | S | S | * | * | trans | -80.5 | 70.5 | 154.9 | -83 | -101.4 | 0 | 0 | 0 | 107.2 | I19 I162 V166 | I19-F164 HydrophobicContact CD1-CE2 3.96Å; I19-F164 HydrophobicContact CD1-CZ 3.59Å; I162-F164 HydrophobicContact CB-CD2 4.43Å; I162-F164 HydrophobicContact CG2-CD2 3.33Å; I162-F164 HydrophobicContact CG2-CE2 3.86Å; I162-F164 HydrophobicContact CG2-CG 4.37Å; I162-F164 PolarHBondContact O-N 3Å; F164-V166 PolarHBondContact O-N 2.92Å | ||
| 165 | L | 26.5 | Very low | 23.7 | Very low | 115 Ų | 115 | 145.7 Ų | 145.7 | 60% | 0.602 | 72% | 0.718 | S | S | * | * | 33.8 | 58.2 | 116.2 | -134.2 | 84 | 0 | 0 | 0 | 114.4 | D163 F167 | D163-L165 PolarHBondContact O-N 3.25Å; L165-F167 HydrophobicContact CB-CD2 4.4Å; L165-F167 HydrophobicContact CD1-CD2 3.9Å; L165-F167 HydrophobicContact CD1-CE2 3.33Å; L165-F167 HydrophobicContact CD1-CZ 3.76Å; L165-F167 HydrophobicContact CD2-CD2 3.18Å; L165-F167 HydrophobicContact CD2-CE2 3.23Å; L165-F167 HydrophobicContact CD2-CG 4.35Å; L165-F167 HydrophobicContact CD2-CZ 4.41Å; L165-F167 HydrophobicContact CG-CD2 3.16Å; L165-F167 HydrophobicContact CG-CE2 3.17Å; L165-F167 HydrophobicContact CG-CG 4Å; L165-F167 HydrophobicContact CG-CZ 4Å; L165-F167 PolarHBondContact O-N 3.02Å | |||
| 166 | V | 24.7 | Very low | 23.7 | Very low | 133 Ų | 133 | 148 Ų | 148 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | trans | -66.6 | 77.7 | 155.3 | 177.8 | 0 | 0 | 0 | 0 | 105.1 | F164 H168 | F164-V166 PolarHBondContact O-N 2.92Å; V166-H168 PolarHBondContact O-N 3.21Å | ||
| 167 | F | 23.1 | Very low | 23.6 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 69% | 0.693 | 71% | 0.706 | S | S | * | * | trans | -76.9 | 98.5 | 176.5 | -98.2 | -47.9 | 0 | 0 | 0 | 110 | L165 | L165-F167 HydrophobicContact CB-CD2 4.4Å; L165-F167 HydrophobicContact CD1-CD2 3.9Å; L165-F167 HydrophobicContact CD1-CE2 3.33Å; L165-F167 HydrophobicContact CD1-CZ 3.76Å; L165-F167 HydrophobicContact CD2-CD2 3.18Å; L165-F167 HydrophobicContact CD2-CE2 3.23Å; L165-F167 HydrophobicContact CD2-CG 4.35Å; L165-F167 HydrophobicContact CD2-CZ 4.41Å; L165-F167 HydrophobicContact CG-CD2 3.16Å; L165-F167 HydrophobicContact CG-CE2 3.17Å; L165-F167 HydrophobicContact CG-CG 4Å; L165-F167 HydrophobicContact CG-CZ 4Å; L165-F167 PolarHBondContact O-N 3.02Å | ||
| 168 | H | 23.2 | Very low | 23.7 | Very low | 148 Ų | 148 | 140 Ų | 140 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | trans | 54 | 103.5 | 134.2 | -94.1 | -90.2 | 0 | 0 | 0 | 119.9 | V166 | V166-H168 PolarHBondContact O-N 3.21Š| ||
| 169 | Y | 22.8 | Very low | 23.6 | Very low | 207 Ų | 207 | 147.2 Ų | 147.2 | 81% | 0.812 | 73% | 0.729 | S | S | * | * | 31.4 | 106.5 | 115.5 | -84.4 | -93.4 | 0 | 0 | 0 | 118.2 | |||||
| 170 | R | 22.7 | Very low | 23.6 | Very low | 217 Ų | 217 | 146.4 Ų | 146.4 | 82% | 0.819 | 73% | 0.734 | S | S | * | * | -174.1 | 106.4 | 99.5 | -125.2 | 179.7 | 176.6 | 174.7 | -1 | 109.7 | L172 | R170-L172 PolarHBondContact O-N 3.28Å; R170-L172 VanDerWaalsContact O-N 3.12Å | |||
| 171 | L | 22.2 | Very low | 23.7 | Very low | 120 Ų | 120 | 146 Ų | 146 | 63% | 0.628 | 74% | 0.738 | S | S | * | * | trans | -66.3 | 100.4 | 156.8 | -103.3 | 131.7 | 0 | 0 | 0 | 107.7 | P88 | P88-L171 HydrophobicContact CB-CD1 4.39Å; P88-L171 HydrophobicContact CB-CD2 3.43Å; P88-L171 VanDerWaalsContact CB-CD2 3.43Å; P88-L171 HydrophobicContact CB-CG 4.49Å | ||
| 172 | L | 22.5 | Very low | 23.7 | Very low | 147 Ų | 147 | 142.7 Ų | 142.7 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | -93.2 | 99.5 | 154.9 | -79.9 | 170.7 | 0 | 0 | 0 | 106.7 | R170 R174 | R170-L172 PolarHBondContact O-N 3.28Å; R170-L172 VanDerWaalsContact O-N 3.12Å; L172-R174 PolarHBondContact O-N 2.68Å | ||
| 173 | A | 20.1 | Very low | 23.7 | Very low | 81 Ų | 81 | 142.6 Ų | 142.6 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | trans | -49 | 117.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 174 | R | 22.5 | Very low | 23.9 | Very low | 240 Ų | 240 | 138.7 Ų | 138.7 | 91% | 0.906 | 72% | 0.723 | S | S | * | * | trans | -119 | 94.7 | 145.1 | -96.8 | -174.6 | 171.3 | -179.6 | -2.8 | 107.5 | L172 V176 | L172-R174 PolarHBondContact O-N 2.68Å; R174-V176 PolarHBondContact O-N 3.24Å | ||
| 175 | V | 21.6 | Very low | 23.8 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | -40.1 | 114.7 | 159 | 174.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 176 | V | 22 | Very low | 23.8 | Very low | 131 Ų | 131 | 146.2 Ų | 146.2 | 79% | 0.794 | 74% | 0.744 | S | S | * | * | trans | -134.6 | 98.9 | 156.8 | -178.2 | 0 | 0 | 0 | 0 | 105.5 | R174 | R174-V176 PolarHBondContact O-N 3.24Š| ||
| 177 | P | 21.8 | Very low | 23.6 | Very low | 88 Ų | 88 | 149.1 Ų | 149.1 | 57% | 0.571 | 75% | 0.751 | S | S | * | * | trans | -79 | 142.7 | 168.7 | 34 | -27.7 | 0 | 0 | 0 | 107 | ||||
| 178 | C | 25 | Very low | 23.7 | Very low | 127 Ų | 127 | 151.1 Ų | 151.1 | 86% | 0.858 | 78% | 0.783 | S | S | * | * | trans | -168.5 | 109.6 | 145.5 | -100.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 179 | Y | 23.1 | Very low | 23.7 | Very low | 225 Ų | 225 | 151.3 Ų | 151.3 | 88% | 0.882 | 79% | 0.788 | S | S | * | * | trans | -37.5 | 138.2 | 156.2 | -66.5 | -97.5 | 0 | 0 | 0 | 112.6 | ||||
| 180 | S | 25.3 | Very low | 23.8 | Very low | 107 Ų | 107 | 148.4 Ų | 148.4 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -165.1 | 114.5 | 158.4 | -174.8 | 0 | 0 | 0 | 0 | 110.5 | A182 | S180-A182 VanDerWaalsContact C-N 3.34Å; S180-A182 PolarHBondContact O-N 3.15Å | ||
| 181 | D | 25.7 | Very low | 23.9 | Very low | 173 Ų | 173 | 144.6 Ų | 144.6 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -74.9 | 70.4 | 179.7 | -67.7 | -54.7 | 0 | 0 | 0 | 112.8 | ||||
| 182 | A | 25.9 | Very low | 24 | Very low | 68 Ų | 68 | 146 Ų | 146 | 56% | 0.562 | 79% | 0.794 | S | S | * | * | trans | -134.9 | 122.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S180 | S180-A182 VanDerWaalsContact C-N 3.34Å; S180-A182 PolarHBondContact O-N 3.15Å | ||
| 183 | P | 26.6 | Very low | 24.1 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78 | 127.1 | 172.7 | 29.5 | -30.4 | 0 | 0 | 0 | 110.6 | ||
| 184 | P | 29.3 | Very low | 24.3 | Very low | 60 Ų | 60 | 150.3 Ų | 150.3 | 39% | 0.39 | 80% | 0.804 | S | S | . | * | P | Polyproline II helix | trans | -81.7 | 130.2 | 173.8 | 26.9 | -24.6 | 0 | 0 | 0 | 111.3 | F186 | P184-F186 HydrophobicContact CG-CE2 4.28Å; P184-F186 HydrophobicContact CG-CZ 4.31Å |
| 185 | R | 23.1 | Very low | 24.4 | Very low | 248 Ų | 248 | 143.9 Ų | 143.9 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 129.6 | 165.6 | -71.3 | 177.4 | 160 | -174.3 | -5.3 | 108.8 | ||
| 186 | F | 26.1 | Very low | 24.7 | Very low | 151 Ų | 151 | 145.1 Ų | 145.1 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 123.9 | 174.7 | -67 | -87.2 | 0 | 0 | 0 | 110.9 | P33 P184 | P33-F186 HydrophobicContact CG-CE1 4.04Å; P184-F186 HydrophobicContact CG-CE2 4.28Å; P184-F186 HydrophobicContact CG-CZ 4.31Å |
| 187 | M | 20.6 | Very low | 24.9 | Very low | 193 Ų | 193 | 146.3 Ų | 146.3 | 95% | 0.951 | 80% | 0.799 | S | S | * | * | trans | -114.4 | 135.3 | 155.5 | -86.7 | -173 | -169.6 | 0 | 0 | 107.6 | ||||
| 188 | C | 26.2 | Very low | 25.2 | Very low | 201 Ų | 201 | 151.5 Ų | 151.5 | 100% | 1.358 | 82% | 0.819 | S | S | * | * | trans | -68.7 | 0 | 179.3 | -62.2 | 0 | 0 | 0 | 0 | 113 |
Retrieved 188 of 188 residues in 24.2 ms
(Link to these results)