| 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 | 87.3 | Confident | 89.2 | Confident | 99 Ų | 99 | 81.4 Ų | 81.4 | 49% | 0.488 | 39% | 0.392 | S | S | . | . | 0 | -61.6 | 0 | -158.1 | 173.7 | -74.7 | 0 | 0 | 111.2 | R3 C4 Y5 V73 C77 M80 | M1-R3 PolarHBondContact O-N 3.38Å; M1-C4 WeakPolarHBondContact O-CB 3.5Å; M1-C4 PolarHBondContact O-N 3.34Å; M1-Y5 HydrophobicContact CG-CE1 4.18Å; M1-Y5 HydrophobicContact CG-CE2 3.98Å; M1-Y5 PolarHBondContact O-N 3.48Å; M1-Y5 VanDerWaalsContact O-N 3.1Å; M1-Y5 HydrophobicContact SD-CE2 4.33Å; M1-V73 HydrophobicContact CE-CG1 4.35Å; M1-C77 HydrophobicContact CE-CB 4.27Å; M1-C77 HydrophobicContact SD-CB 3.58Å; M1-C77 VanDerWaalsContact SD-CB 3.58Å; M1-M80 HydrophobicContact CB-CE 4.3Å; M1-M80 HydrophobicContact CB-SD 4.39Å; M1-M80 HydrophobicContact CG-CE 4.4Å; M1-M80 HydrophobicContact CG-SD 4.11Å; M1-M80 HydrophobicContact SD-CE 4.01Å; M1-M80 HydrophobicContact SD-SD 4.11Å | |||
| 2 | V | 91.9 | Very high | 88.1 | Confident | 15 Ų | 15 | 79.5 Ų | 79.5 | 9% | 0.091 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -46.2 | -56.2 | 179.3 | 179.7 | 0 | 0 | 0 | 0 | 114.1 | C4 Y5 V6 L28 P30 A36 W37 M80 | V2-C4 VanDerWaalsContact C-N 3.29Å; V2-C4 PolarHBondContact O-N 3.26Å; V2-Y5 PolarHBondContact O-N 3.04Å; V2-V6 PolarHBondContact O-N 3.47Å; V2-L28 HydrophobicContact CG1-CB 3.92Å; V2-L28 HydrophobicContact CG1-CD1 4.16Å; V2-L28 HydrophobicContact CG1-CD2 4.36Å; V2-L28 HydrophobicContact CG1-CG 4.38Å; V2-P30 HydrophobicContact CG1-CB 4.12Å; V2-A36 HydrophobicContact CG1-CB 4.33Å; V2-A36 HydrophobicContact CG2-CB 4.26Å; V2-W37 HydrophobicContact CG2-CB 3.53Å; V2-M80 HydrophobicContact CG2-CE 4.16Å; V2-M80 HydrophobicContact CG2-SD 4.02Å |
| 3 | R | 92.1 | Very high | 86.6 | Confident | 152 Ų | 152 | 81.9 Ų | 81.9 | 57% | 0.574 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -55.6 | -43.7 | 179.5 | -69.6 | -177 | -178.5 | 179.9 | -1.1 | 112.4 | M1 Y5 V6 E7 P30 | M1-R3 PolarHBondContact O-N 3.38Å; R3-Y5 VanDerWaalsContact C-N 3.31Å; R3-Y5 PolarHBondContact O-N 3.03Å; R3-V6 PolarHBondContact O-N 3.05Å; R3-E7 WeakPolarHBondContact O-CB 3.48Å; R3-E7 VanDerWaalsContact O-CG 3.25Å; R3-E7 WeakPolarHBondContact O-CG 3.34Å; R3-E7 PolarHBondContact O-N 3.03Å; R3-P30 HydrophobicContact CG-CB 3.79Å |
| 4 | C | 92.6 | Very high | 85.7 | Confident | 78 Ų | 78 | 89.7 Ų | 89.7 | 53% | 0.527 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.3 | -37.8 | 178.1 | -51.2 | 0 | 0 | 0 | 0 | 112.3 | M1 V2 I8 | M1-C4 WeakPolarHBondContact O-CB 3.5Å; M1-C4 PolarHBondContact O-N 3.34Å; V2-C4 VanDerWaalsContact C-N 3.29Å; V2-C4 PolarHBondContact O-N 3.26Å; C4-I8 VanDerWaalsContact O-CB 3.28Å; C4-I8 WeakPolarHBondContact O-CB 3.33Å; C4-I8 WeakPolarHBondContact O-CG2 3.21Å; C4-I8 PolarHBondContact O-N 2.93Å |
| 5 | Y | 91.9 | Very high | 85 | Confident | 31 Ų | 31 | 95.6 Ų | 95.6 | 12% | 0.122 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -68.1 | -44.1 | 176.8 | -73 | -5.4 | 0 | 0 | 0 | 112.3 | M1 V2 R3 I8 V9 K53 C77 M80 T81 | M1-Y5 HydrophobicContact CG-CE1 4.18Å; M1-Y5 HydrophobicContact CG-CE2 3.98Å; M1-Y5 PolarHBondContact O-N 3.48Å; M1-Y5 VanDerWaalsContact O-N 3.1Å; M1-Y5 HydrophobicContact SD-CE2 4.33Å; V2-Y5 PolarHBondContact O-N 3.04Å; R3-Y5 VanDerWaalsContact C-N 3.31Å; R3-Y5 PolarHBondContact O-N 3.03Å; Y5-I8 WeakPolarHBondContact O-CG2 3.43Å; Y5-V9 WeakPolarHBondContact O-CG2 3.36Å; Y5-V9 PolarHBondContact O-N 2.91Å; Y5-K53 HydrophobicContact CE1-CD 3.89Å; Y5-K53 HydrophobicContact CE2-CD 4.32Å; Y5-K53 WeakPolarHBondContact OH-CD 3.47Å; Y5-K53 WeakPolarHBondContact OH-CE 3.34Å; Y5-C77 PolarHBondContact OH-SG 3.1Å; Y5-M80 HydrophobicContact CD2-CB 4.21Å; Y5-M80 HydrophobicContact CD2-SD 3.97Å; Y5-M80 HydrophobicContact CE2-CB 4.21Å; Y5-M80 HydrophobicContact CE2-SD 3.86Å; Y5-T81 HydrophobicContact CD2-CG2 4.45Å |
| 6 | V | 91.8 | Very high | 84.3 | Confident | 30 Ų | 30 | 105.1 Ų | 105.1 | 18% | 0.182 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -63.7 | -50.9 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | V2 R3 I8 V9 E10 L28 P30 | V2-V6 PolarHBondContact O-N 3.47Å; R3-V6 PolarHBondContact O-N 3.05Å; V6-I8 VanDerWaalsContact C-N 3.34Å; V6-I8 PolarHBondContact O-N 3.12Å; V6-V9 PolarHBondContact O-N 2.96Å; V6-E10 PolarHBondContact O-N 3.46Å; V6-L28 HydrophobicContact CG2-CB 3.89Å; V6-L28 HydrophobicContact CG2-CD1 4.09Å; V6-P30 HydrophobicContact CG2-CG 4.31Å |
| 7 | E | 91.8 | Very high | 83.7 | Confident | 89 Ų | 89 | 101.8 Ų | 101.8 | 42% | 0.416 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.8 | -36.6 | -177.4 | -72.7 | 173.1 | -150 | 0 | 0 | 113.3 | R3 K11 | R3-E7 WeakPolarHBondContact O-CB 3.48Å; R3-E7 VanDerWaalsContact O-CG 3.25Å; R3-E7 WeakPolarHBondContact O-CG 3.34Å; R3-E7 PolarHBondContact O-N 3.03Å; E7-K11 WeakPolarHBondContact O-CD 3.32Å; E7-K11 VanDerWaalsContact O-CG 3.26Å; E7-K11 WeakPolarHBondContact O-CG 3.33Å; E7-K11 PolarHBondContact O-N 2.96Å; E7-K11 IonicContact OE2-NZ 3.86Å |
| 8 | I | 88.4 | Confident | 83.7 | Confident | 81 Ų | 81 | 98.4 Ų | 98.4 | 42% | 0.415 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -76.6 | -32.1 | -175.7 | -160.4 | 59.5 | 0 | 0 | 0 | 112.4 | C4 Y5 V6 E10 K11 L12 | C4-I8 VanDerWaalsContact O-CB 3.28Å; C4-I8 WeakPolarHBondContact O-CB 3.33Å; C4-I8 WeakPolarHBondContact O-CG2 3.21Å; C4-I8 PolarHBondContact O-N 2.93Å; Y5-I8 WeakPolarHBondContact O-CG2 3.43Å; V6-I8 VanDerWaalsContact C-N 3.34Å; V6-I8 PolarHBondContact O-N 3.12Å; I8-E10 VanDerWaalsContact C-N 3.33Å; I8-K11 PolarHBondContact O-N 2.95Å; I8-L12 HydrophobicContact CD1-CD1 3.89Å; I8-L12 HydrophobicContact CD1-CG 4.11Å; I8-L12 HydrophobicContact CG1-CD1 3.63Å; I8-L12 HydrophobicContact CG1-CG 4.22Å; I8-L12 WeakPolarHBondContact O-CG 3.33Å; I8-L12 PolarHBondContact O-N 3.28Å |
| 9 | V | 85.7 | Confident | 83.9 | Confident | 37 Ų | 37 | 98.4 Ų | 98.4 | 22% | 0.224 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -66.4 | -38 | 176.4 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | Y5 V6 K11 T21 I22 C25 | Y5-V9 WeakPolarHBondContact O-CG2 3.36Å; Y5-V9 PolarHBondContact O-N 2.91Å; V6-V9 PolarHBondContact O-N 2.96Å; V9-K11 VanDerWaalsContact C-N 3.32Å; V9-K11 PolarHBondContact O-N 3.11Å; V9-T21 HydrophobicContact CG2-CG2 4.38Å; V9-I22 HydrophobicContact CG1-CG1 4.36Å; V9-C25 HydrophobicContact CB-CB 4.46Å; V9-C25 HydrophobicContact CG2-CB 4.04Å |
| 10 | E | 82.9 | Confident | 84.2 | Confident | 145 Ų | 145 | 93.7 Ų | 93.7 | 68% | 0.678 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.4 | -33.5 | 174.4 | -67.3 | 178.3 | 165.3 | 0 | 0 | 112.8 | V6 I8 | V6-E10 PolarHBondContact O-N 3.46Å; I8-E10 VanDerWaalsContact C-N 3.33Å |
| 11 | K | 84.7 | Confident | 84.5 | Confident | 138 Ų | 138 | 90.3 Ų | 90.3 | 60% | 0.6 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -86.4 | -8.6 | -174.9 | -72.1 | 172.4 | -176.4 | 169.1 | 0 | 114.6 | E7 I8 V9 P13 | E7-K11 WeakPolarHBondContact O-CD 3.32Å; E7-K11 VanDerWaalsContact O-CG 3.26Å; E7-K11 WeakPolarHBondContact O-CG 3.33Å; E7-K11 PolarHBondContact O-N 2.96Å; E7-K11 IonicContact OE2-NZ 3.86Å; I8-K11 PolarHBondContact O-N 2.95Å; V9-K11 VanDerWaalsContact C-N 3.32Å; V9-K11 PolarHBondContact O-N 3.11Å; K11-P13 WeakPolarHBondContact O-CD 3.21Å |
| 12 | L | 76.3 | Confident | 84.6 | Confident | 59 Ų | 59 | 89.2 Ų | 89.2 | 31% | 0.309 | 43% | 0.433 | S | S | . | . | trans | -119.4 | 50.3 | -176.6 | -63.7 | 177.5 | 0 | 0 | 0 | 113.4 | I8 E14 R15 | I8-L12 HydrophobicContact CD1-CD1 3.89Å; I8-L12 HydrophobicContact CD1-CG 4.11Å; I8-L12 HydrophobicContact CG1-CD1 3.63Å; I8-L12 HydrophobicContact CG1-CG 4.22Å; I8-L12 WeakPolarHBondContact O-CG 3.33Å; I8-L12 PolarHBondContact O-N 3.28Å; L12-E14 PolarHBondContact O-N 3.3Å; L12-R15 HydrophobicContact CB-CB 4.37Å; L12-R15 PolarHBondContact O-N 3.11Å | ||
| 13 | P | 68.9 | Low | 84.5 | Confident | 111 Ų | 111 | 92.4 Ų | 92.4 | 72% | 0.721 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -24.7 | -177.3 | 29.2 | -35.8 | 0 | 0 | 0 | 113.4 | K11 | K11-P13 WeakPolarHBondContact O-CD 3.21Š|
| 14 | E | 73.9 | Confident | 84.5 | Confident | 191 Ų | 191 | 85.3 Ų | 85.3 | 89% | 0.893 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -18.6 | 179.6 | -62 | -173.9 | 175.6 | 0 | 0 | 113.3 | L12 | L12-E14 PolarHBondContact O-N 3.3Š|
| 15 | R | 74.9 | Confident | 84.6 | Confident | 178 Ų | 178 | 82 Ų | 82 | 67% | 0.672 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -87.6 | 132.2 | 172.1 | -63.2 | -168.3 | 179.3 | -167.5 | -1.9 | 107.2 | L12 P17 | L12-R15 HydrophobicContact CB-CB 4.37Å; L12-R15 PolarHBondContact O-N 3.11Å; R15-P17 WeakPolarHBondContact O-CD 3.48Å; R15-P17 WeakPolarHBondContact O-CG 3.2Å; R15-P17 VanDerWaalsContact O-N 3.15Å |
| 16 | R | 73.4 | Confident | 84.5 | Confident | 248 Ų | 248 | 84.5 Ų | 84.5 | 94% | 0.936 | 43% | 0.426 | S | S | * | . | trans | -76.6 | 93.1 | 174 | -64.8 | -179.2 | -177 | 179.9 | 0.4 | 108.4 | ||||
| 17 | P | 75.1 | Confident | 84.6 | Confident | 49 Ų | 49 | 86.1 Ų | 86.1 | 32% | 0.318 | 43% | 0.432 | S | S | . | . | trans | -72.8 | 155.2 | 179.7 | 1.9 | 21 | 0 | 0 | 0 | 107.7 | R15 I22 | R15-P17 WeakPolarHBondContact O-CD 3.48Å; R15-P17 WeakPolarHBondContact O-CG 3.2Å; R15-P17 VanDerWaalsContact O-N 3.15Å; P17-I22 HydrophobicContact CB-CD1 4.15Å; P17-I22 HydrophobicContact CB-CG1 3.95Å; P17-I22 HydrophobicContact CG-CD1 3.75Å; P17-I22 HydrophobicContact CG-CG1 3.83Å | ||
| 18 | D | 83.8 | Confident | 84.7 | Confident | 41 Ų | 41 | 82.5 Ų | 82.5 | 22% | 0.219 | 42% | 0.415 | C | S | . | . | trans | -55.3 | 133.5 | 170.6 | 158.9 | 78.2 | 0 | 0 | 0 | 110.1 | A20 T21 I22 H82 | D18-A20 VanDerWaalsContact C-N 3.29Å; D18-A20 PolarHBondContact O-N 3.38Å; D18-A20 WeakPolarHBondContact OD2-CA 3.5Å; D18-A20 WeakPolarHBondContact OD2-CB 3.39Å; D18-A20 PolarHBondContact OD2-N 3.23Å; D18-A20 VanDerWaalsContact OD2-N 3.16Å; D18-T21 WeakPolarHBondContact O-CA 3.31Å; D18-T21 WeakPolarHBondContact O-CB 3.21Å; D18-T21 PolarHBondContact O-N 3.01Å; D18-T21 PolarHBondContact OD2-N 2.91Å; D18-T21 PolarHBondContact OD2-OG1 3.49Å; D18-I22 PolarHBondContact O-N 2.99Å; D18-H82 IonicContact OD2-CE1 3.96Å; D18-H82 IonicContact OD2-NE2 2.72Å; D18-H82 PolarHBondContact OD2-NE2 3.22Å | ||
| 19 | P | 87.4 | Confident | 84.9 | Confident | 97 Ų | 97 | 84.7 Ų | 84.7 | 63% | 0.63 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -56.7 | -39 | -176.9 | -28.4 | 35.8 | 0 | 0 | 0 | 113.9 | T21 I22 E23 | P19-T21 VanDerWaalsContact C-N 3.25Å; P19-T21 PolarHBondContact O-N 3.07Å; P19-I22 PolarHBondContact O-N 3.2Å; P19-E23 WeakPolarHBondContact O-CB 3.17Å; P19-E23 PolarHBondContact O-N 3.29Å |
| 20 | A | 88.8 | Confident | 85.1 | Confident | 5 Ų | 5 | 84.6 Ų | 84.6 | 4% | 0.041 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -65.6 | -31.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D18 G24 T81 | D18-A20 VanDerWaalsContact C-N 3.29Å; D18-A20 PolarHBondContact O-N 3.38Å; D18-A20 WeakPolarHBondContact OD2-CA 3.5Å; D18-A20 WeakPolarHBondContact OD2-CB 3.39Å; D18-A20 PolarHBondContact OD2-N 3.23Å; D18-A20 VanDerWaalsContact OD2-N 3.16Å; A20-G24 PolarHBondContact O-N 3.21Å; A20-T81 VanDerWaalsContact O-O 3.11Å |
| 21 | T | 90.9 | Very high | 85.5 | Confident | 23 Ų | 23 | 84.7 Ų | 84.7 | 14% | 0.141 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 171.7 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | V9 D18 P19 C25 T81 H82 | V9-T21 HydrophobicContact CG2-CG2 4.38Å; D18-T21 WeakPolarHBondContact O-CA 3.31Å; D18-T21 WeakPolarHBondContact O-CB 3.21Å; D18-T21 PolarHBondContact O-N 3.01Å; D18-T21 PolarHBondContact OD2-N 2.91Å; D18-T21 PolarHBondContact OD2-OG1 3.49Å; P19-T21 VanDerWaalsContact C-N 3.25Å; P19-T21 PolarHBondContact O-N 3.07Å; T21-C25 WeakPolarHBondContact O-CB 3.44Å; T21-C25 PolarHBondContact O-N 2.81Å; T21-C25 PolarHBondContact O-SG 3.46Å; T21-T81 HydrophobicContact CG2-CG2 4.43Å; T21-H82 PolarHBondContact OG1-CE1 2.84Å |
| 22 | I | 90.1 | Very high | 85.8 | Confident | 75 Ų | 75 | 80.7 Ų | 80.7 | 39% | 0.385 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.3 | -52.4 | 178.2 | -64.7 | 164.1 | 0 | 0 | 0 | 110 | V9 P17 D18 P19 G24 C25 A26 | V9-I22 HydrophobicContact CG1-CG1 4.36Å; P17-I22 HydrophobicContact CB-CD1 4.15Å; P17-I22 HydrophobicContact CB-CG1 3.95Å; P17-I22 HydrophobicContact CG-CD1 3.75Å; P17-I22 HydrophobicContact CG-CG1 3.83Å; D18-I22 PolarHBondContact O-N 2.99Å; P19-I22 PolarHBondContact O-N 3.2Å; I22-G24 VanDerWaalsContact C-N 3.35Å; I22-G24 PolarHBondContact O-N 3.34Å; I22-C25 PolarHBondContact O-N 2.68Å; I22-A26 PolarHBondContact O-N 2.94Å |
| 23 | E | 90.3 | Very high | 85.9 | Confident | 83 Ų | 83 | 87.2 Ų | 87.2 | 39% | 0.388 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -58.9 | -46.7 | -178.3 | -177.8 | -177.8 | -173.6 | 0 | 0 | 111.4 | P19 C25 A26 Q27 N42 | P19-E23 WeakPolarHBondContact O-CB 3.17Å; P19-E23 PolarHBondContact O-N 3.29Å; E23-C25 PolarHBondContact O-N 3.12Å; E23-A26 PolarHBondContact O-N 3.46Å; E23-Q27 WeakPolarHBondContact O-CG 3.27Å; E23-Q27 PolarHBondContact O-N 3.28Å; E23-N42 PolarHBondContact OE2-ND2 3.31Å; E23-N42 VanDerWaalsContact OE2-ND2 3.17Å |
| 24 | G | 91.9 | Very high | 86.6 | Confident | 3 Ų | 3 | 87.2 Ų | 87.2 | 3% | 0.031 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A20 I22 A26 Q27 L28 | A20-G24 PolarHBondContact O-N 3.21Å; I22-G24 VanDerWaalsContact C-N 3.35Å; I22-G24 PolarHBondContact O-N 3.34Å; G24-A26 VanDerWaalsContact C-N 3.31Å; G24-A26 PolarHBondContact O-N 3.12Å; G24-Q27 PolarHBondContact O-N 2.73Å; G24-Q27 VanDerWaalsContact O-N 3.1Å; G24-L28 PolarHBondContact O-N 3.23Å |
| 25 | C | 93.1 | Very high | 87.2 | Confident | 7 Ų | 7 | 82.5 Ų | 82.5 | 5% | 0.047 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 177.4 | -69 | 0 | 0 | 0 | 0 | 112.8 | V9 T21 I22 E23 Q27 L28 | V9-C25 HydrophobicContact CB-CB 4.46Å; V9-C25 HydrophobicContact CG2-CB 4.04Å; T21-C25 WeakPolarHBondContact O-CB 3.44Å; T21-C25 PolarHBondContact O-N 2.81Å; T21-C25 PolarHBondContact O-SG 3.46Å; I22-C25 PolarHBondContact O-N 2.68Å; E23-C25 PolarHBondContact O-N 3.12Å; C25-Q27 PolarHBondContact O-N 3.4Å; C25-L28 HydrophobicContact CB-CD1 4.5Å; C25-L28 WeakPolarHBondContact O-CB 3.09Å; C25-L28 PolarHBondContact O-N 2.93Å |
| 26 | A | 91.3 | Very high | 88 | Confident | 85 Ų | 85 | 74.5 Ų | 74.5 | 70% | 0.702 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -64.7 | -23 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | I22 E23 G24 | I22-A26 PolarHBondContact O-N 2.94Å; E23-A26 PolarHBondContact O-N 3.46Å; G24-A26 VanDerWaalsContact C-N 3.31Å; G24-A26 PolarHBondContact O-N 3.12Å |
| 27 | Q | 92.5 | Very high | 88.8 | Confident | 64 Ų | 64 | 67 Ų | 67 | 30% | 0.299 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -90 | -13.2 | 178.6 | -64.2 | -173.8 | 57.6 | 0 | 0 | 113.5 | E23 G24 C25 T39 | E23-Q27 WeakPolarHBondContact O-CG 3.27Å; E23-Q27 PolarHBondContact O-N 3.28Å; G24-Q27 PolarHBondContact O-N 2.73Å; G24-Q27 VanDerWaalsContact O-N 3.1Å; C25-Q27 PolarHBondContact O-N 3.4Å; Q27-T39 HydrophobicContact CB-CG2 4.14Å |
| 28 | L | 94.3 | Very high | 89.6 | Confident | 13 Ų | 13 | 68.3 Ų | 68.3 | 7% | 0.068 | 35% | 0.353 | C | S | . | . | trans | -68 | 146.8 | 177.2 | -65.7 | 174.9 | 0 | 0 | 0 | 111.4 | V2 V6 G24 C25 P30 T39 M80 | V2-L28 HydrophobicContact CG1-CB 3.92Å; V2-L28 HydrophobicContact CG1-CD1 4.16Å; V2-L28 HydrophobicContact CG1-CD2 4.36Å; V2-L28 HydrophobicContact CG1-CG 4.38Å; V6-L28 HydrophobicContact CG2-CB 3.89Å; V6-L28 HydrophobicContact CG2-CD1 4.09Å; G24-L28 PolarHBondContact O-N 3.23Å; C25-L28 HydrophobicContact CB-CD1 4.5Å; C25-L28 WeakPolarHBondContact O-CB 3.09Å; C25-L28 PolarHBondContact O-N 2.93Å; L28-P30 WeakPolarHBondContact O-CD 3.13Å; L28-T39 HydrophobicContact CD2-CG2 4.06Å; L28-M80 HydrophobicContact CD2-CB 4.12Å; L28-M80 HydrophobicContact CD2-CG 4.2Å | ||
| 29 | K | 93.2 | Very high | 89.9 | Confident | 126 Ų | 126 | 67.2 Ų | 67.2 | 55% | 0.548 | 35% | 0.348 | S | S | . | . | trans | -123 | 74.6 | -176.2 | -63.3 | 176.1 | -172.6 | 173.1 | 0 | 109.9 | N31 N32 A36 | K29-N31 PolarHBondContact O-N 3.22Å; K29-N32 HydrophobicContact CB-CB 3.79Å; K29-N32 PolarHBondContact O-N 3.24Å; K29-A36 PolarHBondContact N-O 3Å; K29-A36 VanDerWaalsContact O-CA 3.23Å; K29-A36 WeakPolarHBondContact O-CA 3.36Å; K29-A36 WeakPolarHBondContact O-CB 3.46Å | ||
| 30 | P | 90.6 | Very high | 90.1 | Very high | 36 Ų | 36 | 66.1 Ų | 66.1 | 23% | 0.234 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -15.6 | -171.9 | 22.3 | -33.4 | 0 | 0 | 0 | 115.2 | V2 R3 V6 L28 | V2-P30 HydrophobicContact CG1-CB 4.12Å; R3-P30 HydrophobicContact CG-CB 3.79Å; V6-P30 HydrophobicContact CG2-CG 4.31Å; L28-P30 WeakPolarHBondContact O-CD 3.13Å |
| 31 | N | 90.3 | Very high | 90.3 | Very high | 147 Ų | 147 | 68 Ų | 68 | 79% | 0.786 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -3.9 | 177.5 | -60.9 | -32.3 | 0 | 0 | 0 | 113.7 | K29 | K29-N31 PolarHBondContact O-N 3.22Š|
| 32 | N | 90.4 | Very high | 90.2 | Very high | 54 Ų | 54 | 67.8 Ų | 67.8 | 29% | 0.289 | 35% | 0.347 | S | S | . | . | trans | -98.8 | 97.9 | 176.4 | -178 | -22.5 | 0 | 0 | 0 | 110.4 | K29 L34 L35 A36 | K29-N32 HydrophobicContact CB-CB 3.79Å; K29-N32 PolarHBondContact O-N 3.24Å; N32-L34 PolarHBondContact O-N 3.12Å; N32-L34 VanDerWaalsContact O-N 3.11Å; N32-L34 PolarHBondContact OD1-N 3.03Å; N32-L34 VanDerWaalsContact OD1-N 3.11Å; N32-L35 PolarHBondContact O-N 2.96Å; N32-L35 PolarHBondContact OD1-N 2.86Å; N32-L35 VanDerWaalsContact OD1-N 3.13Å; N32-A36 VanDerWaalsContact O-CA 3.25Å; N32-A36 WeakPolarHBondContact O-CA 3.44Å; N32-A36 WeakPolarHBondContact O-CB 3.26Å; N32-A36 PolarHBondContact O-N 3.47Å | ||
| 33 | Y | 79.9 | Confident | 90.3 | Very high | 196 Ų | 196 | 71.3 Ų | 71.3 | 77% | 0.769 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -18.1 | -174.6 | 61.4 | -87.6 | 0 | 0 | 0 | 115.2 | ||
| 34 | L | 83.5 | Confident | 90.2 | Very high | 111 Ų | 111 | 75.1 Ų | 75.1 | 58% | 0.581 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -35.2 | -179.9 | -65.5 | 175.5 | 0 | 0 | 0 | 113.2 | N32 | N32-L34 PolarHBondContact O-N 3.12Å; N32-L34 VanDerWaalsContact O-N 3.11Å; N32-L34 PolarHBondContact OD1-N 3.03Å; N32-L34 VanDerWaalsContact OD1-N 3.11Å |
| 35 | L | 86.3 | Confident | 90.2 | Very high | 91 Ų | 91 | 75 Ų | 75 | 48% | 0.476 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.6 | 25.8 | -171.1 | -64 | 174.1 | 0 | 0 | 0 | 113 | N32 W37 H38 | N32-L35 PolarHBondContact O-N 2.96Å; N32-L35 PolarHBondContact OD1-N 2.86Å; N32-L35 VanDerWaalsContact OD1-N 3.13Å; L35-W37 PolarHBondContact O-N 3.39Å; L35-W37 VanDerWaalsContact O-N 3.15Å; L35-H38 HydrophobicContact CB-CB 4.46Å; L35-H38 HydrophobicContact CD2-CB 4.39Å; L35-H38 VanDerWaalsContact CD2-CD2 3.43Å; L35-H38 WeakPolarHBondContact CD2-CD2 3.46Å; L35-H38 PolarHBondContact O-N 3.29Å |
| 36 | A | 90.8 | Very high | 90.2 | Very high | 11 Ų | 11 | 77.3 Ų | 77.3 | 9% | 0.091 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -32.9 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | V2 K29 N32 | V2-A36 HydrophobicContact CG1-CB 4.33Å; V2-A36 HydrophobicContact CG2-CB 4.26Å; K29-A36 PolarHBondContact N-O 3Å; K29-A36 VanDerWaalsContact O-CA 3.23Å; K29-A36 WeakPolarHBondContact O-CA 3.36Å; K29-A36 WeakPolarHBondContact O-CB 3.46Å; N32-A36 VanDerWaalsContact O-CA 3.25Å; N32-A36 WeakPolarHBondContact O-CA 3.44Å; N32-A36 WeakPolarHBondContact O-CB 3.26Å; N32-A36 PolarHBondContact O-N 3.47Å |
| 37 | W | 91.3 | Very high | 90.3 | Very high | 89 Ų | 89 | 74.4 Ų | 74.4 | 34% | 0.337 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -4.7 | -174.4 | 60.8 | 93.7 | 0 | 0 | 0 | 114.5 | V2 L35 T39 E76 M80 | V2-W37 HydrophobicContact CG2-CB 3.53Å; L35-W37 PolarHBondContact O-N 3.39Å; L35-W37 VanDerWaalsContact O-N 3.15Å; W37-T39 PolarHBondContact O-N 3.48Å; W37-E76 PolarHBondContact NE1-OE2 2.83Å; W37-M80 HydrophobicContact CB-CE 3.5Å; W37-M80 HydrophobicContact CB-CG 3.72Å; W37-M80 HydrophobicContact CB-SD 4.06Å; W37-M80 HydrophobicContact CG-CE 4.07Å |
| 38 | H | 90.6 | Very high | 90.3 | Very high | 77 Ų | 77 | 78.3 Ų | 78.3 | 36% | 0.356 | 39% | 0.386 | S | S | . | . | trans | -77.5 | 124.4 | -178.4 | -78.9 | -88.7 | 0 | 0 | 0 | 110.8 | L35 | L35-H38 HydrophobicContact CB-CB 4.46Å; L35-H38 HydrophobicContact CD2-CB 4.39Å; L35-H38 VanDerWaalsContact CD2-CD2 3.43Å; L35-H38 WeakPolarHBondContact CD2-CD2 3.46Å; L35-H38 PolarHBondContact O-N 3.29Å | ||
| 39 | T | 91.6 | Very high | 90.3 | Very high | 18 Ų | 18 | 78 Ų | 78 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | trans | -119.6 | 151.6 | 172.1 | 55 | 0 | 0 | 0 | 0 | 109.2 | Q27 L28 W37 R79 M80 N83 | Q27-T39 HydrophobicContact CB-CG2 4.14Å; L28-T39 HydrophobicContact CD2-CG2 4.06Å; W37-T39 PolarHBondContact O-N 3.48Å; T39-R79 PolarHBondContact OG1-O 2.71Å; T39-M80 WeakPolarHBondContact CG2-O 3.36Å; T39-N83 PolarHBondContact O-ND2 2.64Å | ||
| 40 | P | 90.8 | Very high | 90.4 | Very high | 75 Ų | 75 | 72 Ų | 72 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | trans | -64.4 | 166.8 | 170.4 | 30.8 | -35.4 | 0 | 0 | 0 | 110.8 | N83 | P40-N83 VanDerWaalsContact O-CB 3.29Å; P40-N83 WeakPolarHBondContact O-CB 3.4Å; P40-N83 PolarHBondContact O-ND2 2.86Å | ||
| 41 | F | 92.1 | Very high | 90.7 | Very high | 44 Ų | 44 | 71.1 Ų | 71.1 | 19% | 0.193 | 36% | 0.355 | C | S | . | . | trans | -57.3 | 141.7 | 168.9 | 175.7 | -100.8 | 0 | 0 | 0 | 109.9 | E43 N83 H84 E134 Y135 H138 | F41-E43 HydrophobicContact CE1-CB 4.2Å; F41-N83 WeakPolarHBondContact CD2-O 3.49Å; F41-N83 PolarHBondContact N-ND2 2.77Å; F41-H84 AromaticContact CZ-CD2 3.88Å; F41-E134 HydrophobicContact CD1-CB 4.18Å; F41-E134 HydrophobicContact CD2-CB 4.3Å; F41-E134 HydrophobicContact CE1-CB 4.2Å; F41-E134 HydrophobicContact CE2-CB 4.3Å; F41-E134 HydrophobicContact CG-CB 4.25Å; F41-E134 HydrophobicContact CZ-CB 4.26Å; F41-Y135 HydrophobicContact CB-CE2 4.17Å; F41-Y135 HydrophobicContact CD2-CD2 4.29Å; F41-Y135 HydrophobicContact CD2-CE1 4.1Å; F41-Y135 AromaticContact CD2-CE2 3.82Å; F41-Y135 HydrophobicContact CD2-CE2 3.82Å; F41-Y135 AromaticContact CD2-CZ 3.73Å; F41-Y135 HydrophobicContact CG-CE2 4.33Å; F41-H138 AromaticContact CZ-CD2 3.62Å; F41-H138 AromaticContact CZ-NE2 3.8Å | ||
| 42 | N | 90.8 | Very high | 90.9 | Very high | 19 Ų | 19 | 67.9 Ų | 67.9 | 10% | 0.102 | 34% | 0.341 | C | S | . | . | trans | -130.3 | 108.8 | 178 | -175.4 | -6.4 | 0 | 0 | 0 | 109.6 | E23 K44 G45 N83 H84 | E23-N42 PolarHBondContact OE2-ND2 3.31Å; E23-N42 VanDerWaalsContact OE2-ND2 3.17Å; N42-K44 PolarHBondContact O-N 2.72Å; N42-K44 WeakPolarHBondContact OD1-CA 3.4Å; N42-K44 WeakPolarHBondContact OD1-CB 3.22Å; N42-K44 PolarHBondContact OD1-N 2.95Å; N42-G45 WeakPolarHBondContact O-CA 3.4Å; N42-G45 PolarHBondContact O-N 3.46Å; N42-G45 PolarHBondContact OD1-N 3.09Å; N42-N83 PolarHBondContact N-O 3.34Å; N42-H84 WeakPolarHBondContact O-CB 3.27Å | ||
| 43 | E | 90.4 | Very high | 91.1 | Very high | 148 Ų | 148 | 67.5 Ų | 67.5 | 69% | 0.692 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -32.2 | 176.6 | -167.1 | -179.7 | 177.5 | 0 | 0 | 112.5 | F41 G45 H84 | F41-E43 HydrophobicContact CE1-CB 4.2Å; E43-G45 VanDerWaalsContact C-N 3.28Å; E43-G45 PolarHBondContact O-N 3.21Å; E43-H84 PolarHBondContact O-CD2 3.32Å |
| 44 | K | 89.4 | Confident | 91.9 | Very high | 163 Ų | 163 | 58.2 Ų | 58.2 | 71% | 0.709 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -1.1 | 176.2 | -58.1 | 177.4 | -174.9 | 172.8 | 0 | 113.2 | N42 S46 | N42-K44 PolarHBondContact O-N 2.72Å; N42-K44 WeakPolarHBondContact OD1-CA 3.4Å; N42-K44 WeakPolarHBondContact OD1-CB 3.22Å; N42-K44 PolarHBondContact OD1-N 2.95Å; K44-S46 PolarHBondContact O-N 3.07Å; K44-S46 VanDerWaalsContact O-N 3.13Å |
| 45 | G | 91.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | 12 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | N42 E43 G47 H82 H84 | N42-G45 WeakPolarHBondContact O-CA 3.4Å; N42-G45 PolarHBondContact O-N 3.46Å; N42-G45 PolarHBondContact OD1-N 3.09Å; E43-G45 VanDerWaalsContact C-N 3.28Å; E43-G45 PolarHBondContact O-N 3.21Å; G45-G47 VanDerWaalsContact C-N 3.27Å; G45-G47 PolarHBondContact O-N 2.98Å; G45-H82 VanDerWaalsContact O-CB 3.22Å; G45-H82 WeakPolarHBondContact O-CB 3.37Å; G45-H82 PolarHBondContact O-CD2 3.34Å; G45-H84 VanDerWaalsContact C-CB 3.48Å; G45-H84 WeakPolarHBondContact O-CB 3.45Å |
| 46 | S | 93.5 | Very high | 93.2 | Very high | 57 Ų | 57 | 56.7 Ų | 56.7 | 40% | 0.399 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -4.4 | -177.5 | 58.4 | 0 | 0 | 0 | 0 | 114.5 | K44 | K44-S46 PolarHBondContact O-N 3.07Å; K44-S46 VanDerWaalsContact O-N 3.13Å |
| 47 | G | 91.9 | Very high | 93.6 | Very high | 23 Ų | 23 | 56.4 Ų | 56.4 | 24% | 0.237 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -64.5 | 169.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | G45 G49 H82 | G45-G47 VanDerWaalsContact C-N 3.27Å; G45-G47 PolarHBondContact O-N 2.98Å; G47-G49 VanDerWaalsContact C-N 3.31Å; G47-G49 PolarHBondContact O-N 2.89Å; G47-H82 PolarHBondContact O-CD2 3.42Å |
| 48 | F | 93.4 | Very high | 93.9 | Very high | 147 Ų | 147 | 52.2 Ų | 52.2 | 65% | 0.645 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -80.1 | -6.5 | -176.1 | 66.6 | -100.6 | 0 | 0 | 0 | 114.3 | A50 A51 T52 | F48-A50 PolarHBondContact O-N 2.93Å; F48-A50 VanDerWaalsContact O-N 3.12Å; F48-A51 WeakPolarHBondContact O-CB 3.46Å; F48-A51 PolarHBondContact O-N 3.11Å; F48-T52 HydrophobicContact CD2-CG2 3.49Å; F48-T52 VanDerWaalsContact CD2-CG2 3.49Å; F48-T52 HydrophobicContact CE2-CG2 3.95Å; F48-T52 PolarHBondContact O-N 3.13Å |
| 49 | G | 93.7 | Very high | 94.3 | Very high | 5 Ų | 5 | 53.8 Ų | 53.8 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -62.9 | -23.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G47 T52 K53 H82 | G47-G49 VanDerWaalsContact C-N 3.31Å; G47-G49 PolarHBondContact O-N 2.89Å; G49-T52 PolarHBondContact O-OG1 3.27Å; G49-K53 WeakPolarHBondContact O-CG 3.27Å; G49-K53 PolarHBondContact O-NZ 2.91Å; G49-H82 VanDerWaalsContact C-CE1 3.42Å; G49-H82 VanDerWaalsContact CA-CE1 3.45Å; G49-H82 WeakPolarHBondContact CA-CE1 3.47Å; G49-H82 WeakPolarHBondContact CA-NE2 3.4Å; G49-H82 PolarHBondContact N-NE2 3.45Å; G49-H82 VanDerWaalsContact N-NE2 3.17Å |
| 50 | A | 95.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -71.9 | -40.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113 | F48 K53 H82 | F48-A50 PolarHBondContact O-N 2.93Å; F48-A50 VanDerWaalsContact O-N 3.12Å; A50-K53 WeakPolarHBondContact O-CG 3.45Å; A50-H82 HydrophobicContact CB-CB 3.67Å; A50-H82 PolarHBondContact N-CE1 3.44Å; A50-H82 VanDerWaalsContact N-CE1 3.28Å; A50-H82 PolarHBondContact N-ND1 2.87Å; A50-H82 PolarHBondContact N-NE2 3.48Å |
| 51 | A | 97.4 | Very high | 95 | Very high | 18 Ų | 18 | 59.2 Ų | 59.2 | 15% | 0.149 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -63.8 | -46.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | F48 K53 A54 G90 T94 | F48-A51 WeakPolarHBondContact O-CB 3.46Å; F48-A51 PolarHBondContact O-N 3.11Å; A51-K53 PolarHBondContact O-N 3.33Å; A51-A54 PolarHBondContact O-N 2.96Å; A51-G90 WeakPolarHBondContact CB-O 3.22Å; A51-T94 WeakPolarHBondContact O-CG2 3.35Å; A51-T94 PolarHBondContact O-OG1 2.97Å |
| 52 | T | 94.2 | Very high | 95.3 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 49% | 0.485 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -65.4 | -7.6 | -173.2 | 52.7 | 0 | 0 | 0 | 0 | 115.5 | F48 G49 M55 | F48-T52 HydrophobicContact CD2-CG2 3.49Å; F48-T52 VanDerWaalsContact CD2-CG2 3.49Å; F48-T52 HydrophobicContact CE2-CG2 3.95Å; F48-T52 PolarHBondContact O-N 3.13Å; G49-T52 PolarHBondContact O-OG1 3.27Å; T52-M55 WeakPolarHBondContact O-CE 3.39Å; T52-M55 VanDerWaalsContact O-SD 3.39Å |
| 53 | K | 93.6 | Very high | 95.7 | Very high | 47 Ų | 47 | 66.6 Ų | 66.6 | 20% | 0.204 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -116.4 | 2.8 | 178.5 | 60.6 | -174.4 | -177 | -102.3 | 0 | 113.9 | Y5 G49 A50 A51 T81 | Y5-K53 HydrophobicContact CE1-CD 3.89Å; Y5-K53 HydrophobicContact CE2-CD 4.32Å; Y5-K53 WeakPolarHBondContact OH-CD 3.47Å; Y5-K53 WeakPolarHBondContact OH-CE 3.34Å; G49-K53 WeakPolarHBondContact O-CG 3.27Å; G49-K53 PolarHBondContact O-NZ 2.91Å; A50-K53 WeakPolarHBondContact O-CG 3.45Å; A51-K53 PolarHBondContact O-N 3.33Å; K53-T81 PolarHBondContact NZ-OG1 2.71Å |
| 54 | A | 98 | Very high | 96 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | trans | -94.5 | -8.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A51 C56 I57 S91 T94 | A51-A54 PolarHBondContact O-N 2.96Å; A54-C56 VanDerWaalsContact C-N 3.28Å; A54-C56 PolarHBondContact O-N 3.35Å; A54-I57 HydrophobicContact CB-CD1 4.29Å; A54-I57 VanDerWaalsContact O-CB 3.27Å; A54-I57 WeakPolarHBondContact O-CB 3.34Å; A54-I57 PolarHBondContact O-N 2.96Å; A54-S91 VanDerWaalsContact CB-O 3.31Å; A54-S91 WeakPolarHBondContact CB-O 3.28Å; A54-S91 VanDerWaalsContact CB-OG 3.27Å; A54-S91 WeakPolarHBondContact CB-OG 3.45Å; A54-T94 HydrophobicContact CB-CG2 4.24Å | ||
| 55 | M | 98.4 | Very high | 96.5 | Very high | 89 Ų | 89 | 62.8 Ų | 62.8 | 44% | 0.438 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.6 | -41.6 | -176.7 | -62.5 | 81.7 | 90.2 | 0 | 0 | 112.9 | T52 I57 G58 L59 T94 V98 | T52-M55 WeakPolarHBondContact O-CE 3.39Å; T52-M55 VanDerWaalsContact O-SD 3.39Å; M55-I57 PolarHBondContact O-N 3.33Å; M55-G58 PolarHBondContact O-N 3.23Å; M55-G58 VanDerWaalsContact O-N 3.12Å; M55-L59 PolarHBondContact O-N 3.27Å; M55-T94 HydrophobicContact CB-CG2 4.32Å; M55-T94 HydrophobicContact CG-CG2 3.48Å; M55-T94 VanDerWaalsContact CG-CG2 3.48Å; M55-T94 HydrophobicContact SD-CG2 3.61Å; M55-V98 HydrophobicContact CB-CG2 3.92Å; M55-V98 HydrophobicContact CG-CG2 4.03Å; M55-V98 WeakPolarHBondContact O-CG1 3.41Å |
| 56 | C | 98.1 | Very high | 96.8 | Very high | 81 Ų | 81 | 67.7 Ų | 67.7 | 55% | 0.547 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.6 | -23.1 | -179 | 63.5 | 0 | 0 | 0 | 0 | 113.2 | A54 L59 R60 | A54-C56 VanDerWaalsContact C-N 3.28Å; A54-C56 PolarHBondContact O-N 3.35Å; C56-L59 PolarHBondContact O-N 3.23Å; C56-R60 VanDerWaalsContact O-CB 3.31Å; C56-R60 WeakPolarHBondContact O-CB 3.36Å; C56-R60 PolarHBondContact O-N 3.2Å |
| 57 | I | 98.7 | Very high | 97 | Very high | 6 Ų | 6 | 68 Ų | 68 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.3 | -44.2 | 174.5 | -57.8 | 173.9 | 0 | 0 | 0 | 109.5 | A54 M55 L59 R60 Y61 V73 C77 A95 | A54-I57 HydrophobicContact CB-CD1 4.29Å; A54-I57 VanDerWaalsContact O-CB 3.27Å; A54-I57 WeakPolarHBondContact O-CB 3.34Å; A54-I57 PolarHBondContact O-N 2.96Å; M55-I57 PolarHBondContact O-N 3.33Å; I57-L59 VanDerWaalsContact C-N 3.35Å; I57-L59 PolarHBondContact O-N 2.83Å; I57-R60 PolarHBondContact O-N 3.3Å; I57-R60 VanDerWaalsContact O-N 3.12Å; I57-Y61 HydrophobicContact CG2-CD2 3.81Å; I57-Y61 HydrophobicContact CG2-CE2 4.24Å; I57-Y61 PolarHBondContact O-N 2.76Å; I57-V73 HydrophobicContact CD1-CG1 4.26Å; I57-V73 HydrophobicContact CG1-CG1 4.44Å; I57-V73 HydrophobicContact CG2-CB 4.27Å; I57-V73 HydrophobicContact CG2-CG1 4.04Å; I57-C77 HydrophobicContact CD1-CB 3.67Å; I57-A95 HydrophobicContact CB-CB 4.09Å; I57-A95 HydrophobicContact CG2-CB 4.13Å |
| 58 | G | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.7 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M55 W62 A95 | M55-G58 PolarHBondContact O-N 3.23Å; M55-G58 VanDerWaalsContact O-N 3.12Å; G58-W62 WeakPolarHBondContact O-CA 3.36Å; G58-W62 WeakPolarHBondContact O-CB 3.17Å; G58-W62 PolarHBondContact O-N 3.47Å; G58-W62 VanDerWaalsContact O-N 3.12Å; G58-A95 WeakPolarHBondContact CA-O 3.42Å |
| 59 | L | 98.6 | Very high | 97.6 | Very high | 110 Ų | 110 | 68 Ų | 68 | 58% | 0.576 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.9 | -36.5 | 173.4 | -68.2 | 176.3 | 0 | 0 | 0 | 112.4 | M55 C56 I57 W62 V98 | M55-L59 PolarHBondContact O-N 3.27Å; C56-L59 PolarHBondContact O-N 3.23Å; I57-L59 VanDerWaalsContact C-N 3.35Å; I57-L59 PolarHBondContact O-N 2.83Å; L59-W62 VanDerWaalsContact O-CD1 3.28Å; L59-V98 HydrophobicContact CD2-CG1 3.7Å; L59-V98 HydrophobicContact CG-CG1 3.62Å |
| 60 | R | 98.6 | Very high | 97.8 | Very high | 163 Ų | 163 | 67.8 Ų | 67.8 | 62% | 0.615 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -73.5 | -35.8 | -177.1 | 179.7 | 60.2 | -173.3 | 91.3 | -4.7 | 112.8 | C56 I57 | C56-R60 VanDerWaalsContact O-CB 3.31Å; C56-R60 WeakPolarHBondContact O-CB 3.36Å; C56-R60 PolarHBondContact O-N 3.2Å; I57-R60 PolarHBondContact O-N 3.3Å; I57-R60 VanDerWaalsContact O-N 3.12Å |
| 61 | Y | 98.6 | Very high | 98 | Very high | 44 Ų | 44 | 68 Ų | 68 | 17% | 0.173 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119 | 38.7 | -175.5 | -56.4 | -61 | 0 | 0 | 0 | 112 | I57 K63 T69 V73 | I57-Y61 HydrophobicContact CG2-CD2 3.81Å; I57-Y61 HydrophobicContact CG2-CE2 4.24Å; I57-Y61 PolarHBondContact O-N 2.76Å; Y61-K63 VanDerWaalsContact C-N 3.3Å; Y61-K63 PolarHBondContact O-N 2.99Å; Y61-T69 HydrophobicContact CD1-CG2 3.99Å; Y61-T69 HydrophobicContact CD2-CG2 4.47Å; Y61-T69 HydrophobicContact CE1-CG2 3.76Å; Y61-T69 HydrophobicContact CE2-CG2 4.26Å; Y61-T69 HydrophobicContact CG-CG2 4.33Å; Y61-V73 HydrophobicContact CE2-CB 4Å; Y61-V73 HydrophobicContact CE2-CG1 3.97Å; Y61-V73 HydrophobicContact CE2-CG2 3.88Å |
| 62 | W | 98.6 | Very high | 98 | Very high | 109 Ų | 109 | 70.2 Ų | 70.2 | 41% | 0.413 | 34% | 0.336 | S | S | . | . | trans | -69.4 | -21.3 | -170.1 | 70 | -91.2 | 0 | 0 | 0 | 115.2 | G58 L59 A102 Q103 | G58-W62 WeakPolarHBondContact O-CA 3.36Å; G58-W62 WeakPolarHBondContact O-CB 3.17Å; G58-W62 PolarHBondContact O-N 3.47Å; G58-W62 VanDerWaalsContact O-N 3.12Å; L59-W62 VanDerWaalsContact O-CD1 3.28Å; W62-A102 HydrophobicContact CB-CB 3.75Å; W62-A102 HydrophobicContact CD2-CB 4.37Å; W62-A102 HydrophobicContact CE3-CB 4.37Å; W62-A102 HydrophobicContact CG-CB 4.15Å; W62-Q103 HydrophobicContact CE3-CG 3.95Å; W62-Q103 HydrophobicContact CZ3-CG 4.38Å; W62-Q103 WeakPolarHBondContact O-CG 3.34Å; W62-Q103 PolarHBondContact O-NE2 2.94Å | ||
| 63 | K | 98.4 | Very high | 98.2 | Very high | 109 Ų | 109 | 68.2 Ų | 68.2 | 47% | 0.474 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -74.1 | 143 | -174.7 | -64.1 | -172.1 | 175.5 | -174.4 | 0 | 111.7 | Y61 E65 R66 | Y61-K63 VanDerWaalsContact C-N 3.3Å; Y61-K63 PolarHBondContact O-N 2.99Å; K63-E65 WeakPolarHBondContact CB-OE2 2.91Å; K63-E65 PolarHBondContact O-N 3.21Å; K63-E65 VanDerWaalsContact O-N 3.15Å; K63-R66 HydrophobicContact CB-CG 4.31Å; K63-R66 WeakPolarHBondContact O-CB 3.36Å; K63-R66 PolarHBondContact O-N 2.99Å |
| 64 | P | 97.6 | Very high | 98.4 | Very high | 75 Ų | 75 | 66 Ų | 66 | 49% | 0.487 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -53.1 | -36.9 | -179.9 | -28 | 35.9 | 0 | 0 | 0 | 114.4 | R66 L67 | P64-R66 PolarHBondContact O-N 3.4Å; P64-R66 VanDerWaalsContact O-N 3.1Å; P64-L67 WeakPolarHBondContact O-CB 3.4Å; P64-L67 PolarHBondContact O-N 3.12Å |
| 65 | E | 98.3 | Very high | 98.4 | Very high | 156 Ų | 156 | 66 Ų | 66 | 73% | 0.729 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -70.5 | -6.7 | -179.8 | -49.4 | 75.3 | -159 | 0 | 0 | 112.9 | K63 | K63-E65 WeakPolarHBondContact CB-OE2 2.91Å; K63-E65 PolarHBondContact O-N 3.21Å; K63-E65 VanDerWaalsContact O-N 3.15Å |
| 66 | R | 98.4 | Very high | 98.3 | Very high | 104 Ų | 104 | 62.8 Ų | 62.8 | 39% | 0.392 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -106.3 | 9.5 | 178.8 | -60.3 | -65.4 | -64.6 | -175.3 | -1.7 | 112.8 | K63 P64 E68 T69 L70 | K63-R66 HydrophobicContact CB-CG 4.31Å; K63-R66 WeakPolarHBondContact O-CB 3.36Å; K63-R66 PolarHBondContact O-N 2.99Å; P64-R66 PolarHBondContact O-N 3.4Å; P64-R66 VanDerWaalsContact O-N 3.1Å; R66-E68 VanDerWaalsContact C-N 3.33Å; R66-E68 PolarHBondContact O-N 3.46Å; R66-T69 PolarHBondContact O-N 2.85Å; R66-L70 PolarHBondContact O-N 3.27Å |
| 67 | L | 98.6 | Very high | 98.3 | Very high | 62 Ų | 62 | 59 Ų | 59 | 33% | 0.325 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -54.4 | -46.3 | -178.2 | 177.3 | 60.6 | 0 | 0 | 0 | 112.6 | P64 T69 L70 I71 L96 L120 | P64-L67 WeakPolarHBondContact O-CB 3.4Å; P64-L67 PolarHBondContact O-N 3.12Å; L67-T69 PolarHBondContact O-N 3.1Å; L67-L70 WeakPolarHBondContact O-CB 3.48Å; L67-L70 PolarHBondContact O-N 2.85Å; L67-I71 HydrophobicContact CD1-CD1 4.02Å; L67-I71 HydrophobicContact CD1-CG1 4.28Å; L67-I71 HydrophobicContact CG-CD1 3.92Å; L67-I71 WeakPolarHBondContact O-CG1 3.46Å; L67-I71 PolarHBondContact O-N 3.42Å; L67-L96 HydrophobicContact CD1-CD2 3.62Å; L67-L120 HydrophobicContact CD2-CD1 4.25Å |
| 68 | E | 98.4 | Very high | 98.2 | Very high | 140 Ų | 140 | 58.7 Ų | 58.7 | 65% | 0.654 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -57.8 | -52.3 | 177.7 | -174.7 | 175.4 | -159.2 | 0 | 0 | 110.7 | R66 L70 I71 E72 | R66-E68 VanDerWaalsContact C-N 3.33Å; R66-E68 PolarHBondContact O-N 3.46Å; E68-L70 VanDerWaalsContact C-N 3.29Å; E68-L70 PolarHBondContact O-N 3.46Å; E68-I71 WeakPolarHBondContact O-CB 3.3Å; E68-I71 PolarHBondContact O-N 3.14Å; E68-I71 VanDerWaalsContact O-N 3.07Å; E68-E72 WeakPolarHBondContact O-CG 3.43Å; E68-E72 PolarHBondContact O-N 2.97Å |
| 69 | T | 98.6 | Very high | 98 | Very high | 30 Ų | 30 | 59.3 Ų | 59.3 | 18% | 0.184 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.6 | -36.6 | 176.8 | -51 | 0 | 0 | 0 | 0 | 112.9 | Y61 R66 L67 I71 V73 | Y61-T69 HydrophobicContact CD1-CG2 3.99Å; Y61-T69 HydrophobicContact CD2-CG2 4.47Å; Y61-T69 HydrophobicContact CE1-CG2 3.76Å; Y61-T69 HydrophobicContact CE2-CG2 4.26Å; Y61-T69 HydrophobicContact CG-CG2 4.33Å; R66-T69 PolarHBondContact O-N 2.85Å; L67-T69 PolarHBondContact O-N 3.1Å; T69-I71 VanDerWaalsContact C-N 3.34Å; T69-V73 HydrophobicContact CG2-CG2 3.89Å; T69-V73 WeakPolarHBondContact O-CB 3.37Å; T69-V73 VanDerWaalsContact O-CG2 3.23Å; T69-V73 WeakPolarHBondContact O-CG2 3.42Å; T69-V73 PolarHBondContact O-N 2.91Å |
| 70 | L | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -46 | 175.3 | -177.5 | 158.6 | 0 | 0 | 0 | 110.3 | R66 L67 E68 S74 L92 A95 L96 | R66-L70 PolarHBondContact O-N 3.27Å; L67-L70 WeakPolarHBondContact O-CB 3.48Å; L67-L70 PolarHBondContact O-N 2.85Å; E68-L70 VanDerWaalsContact C-N 3.29Å; E68-L70 PolarHBondContact O-N 3.46Å; L70-S74 WeakPolarHBondContact O-CB 3.25Å; L70-S74 PolarHBondContact O-N 3.1Å; L70-S74 PolarHBondContact O-OG 3.35Å; L70-L92 HydrophobicContact CD2-CD1 4.08Å; L70-A95 HydrophobicContact CD2-CB 3.84Å; L70-A95 HydrophobicContact CG-CB 4.16Å; L70-L96 HydrophobicContact CD2-CD2 3.64Å; L70-L96 HydrophobicContact CD2-CG 3.79Å |
| 71 | I | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.2 | -55.6 | 177.4 | -69.8 | 160.9 | 0 | 0 | 0 | 110.1 | L67 E68 T69 V73 S74 V75 L92 L120 A121 | L67-I71 HydrophobicContact CD1-CD1 4.02Å; L67-I71 HydrophobicContact CD1-CG1 4.28Å; L67-I71 HydrophobicContact CG-CD1 3.92Å; L67-I71 WeakPolarHBondContact O-CG1 3.46Å; L67-I71 PolarHBondContact O-N 3.42Å; E68-I71 WeakPolarHBondContact O-CB 3.3Å; E68-I71 PolarHBondContact O-N 3.14Å; E68-I71 VanDerWaalsContact O-N 3.07Å; T69-I71 VanDerWaalsContact C-N 3.34Å; I71-V73 PolarHBondContact O-N 3.15Å; I71-S74 PolarHBondContact O-N 2.89Å; I71-S74 PolarHBondContact O-OG 3.5Å; I71-V75 HydrophobicContact CG2-CG2 4.36Å; I71-V75 WeakPolarHBondContact O-CB 3.28Å; I71-V75 VanDerWaalsContact O-CG2 3.26Å; I71-V75 WeakPolarHBondContact O-CG2 3.34Å; I71-V75 PolarHBondContact O-N 2.93Å; I71-L92 HydrophobicContact CB-CD1 4.32Å; I71-L92 HydrophobicContact CG1-CD1 3.86Å; I71-L120 HydrophobicContact CD1-CB 3.74Å; I71-L120 HydrophobicContact CD1-CD1 3.98Å; I71-A121 HydrophobicContact CG2-CB 3.73Å |
| 72 | E | 98.3 | Very high | 97.6 | Very high | 64 Ų | 64 | 45 Ų | 45 | 30% | 0.299 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -56.9 | -51.4 | -177.9 | -61.5 | -175.1 | 150.2 | 0 | 0 | 111.6 | E68 S74 V75 E76 Y124 | E68-E72 WeakPolarHBondContact O-CG 3.43Å; E68-E72 PolarHBondContact O-N 2.97Å; E72-S74 PolarHBondContact O-N 3.27Å; E72-V75 PolarHBondContact O-N 3.2Å; E72-E76 WeakPolarHBondContact O-CB 3.3Å; E72-E76 WeakPolarHBondContact O-CG 3.42Å; E72-E76 PolarHBondContact O-N 2.89Å; E72-Y124 HydrophobicContact CB-CD2 4.45Å; E72-Y124 HydrophobicContact CB-CE1 4.42Å; E72-Y124 HydrophobicContact CB-CE2 3.93Å; E72-Y124 HydrophobicContact CG-CD2 3.64Å; E72-Y124 HydrophobicContact CG-CE2 3.44Å; E72-Y124 VanDerWaalsContact CG-CE2 3.44Å; E72-Y124 HydrophobicContact CG-CG 4.29Å |
| 73 | V | 98.3 | Very high | 97.4 | Very high | 37 Ų | 37 | 39.9 Ų | 39.9 | 22% | 0.224 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68.9 | -38.1 | -175.4 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | M1 I57 Y61 T69 I71 C77 | M1-V73 HydrophobicContact CE-CG1 4.35Å; I57-V73 HydrophobicContact CD1-CG1 4.26Å; I57-V73 HydrophobicContact CG1-CG1 4.44Å; I57-V73 HydrophobicContact CG2-CB 4.27Å; I57-V73 HydrophobicContact CG2-CG1 4.04Å; Y61-V73 HydrophobicContact CE2-CB 4Å; Y61-V73 HydrophobicContact CE2-CG1 3.97Å; Y61-V73 HydrophobicContact CE2-CG2 3.88Å; T69-V73 HydrophobicContact CG2-CG2 3.89Å; T69-V73 WeakPolarHBondContact O-CB 3.37Å; T69-V73 VanDerWaalsContact O-CG2 3.23Å; T69-V73 WeakPolarHBondContact O-CG2 3.42Å; T69-V73 PolarHBondContact O-N 2.91Å; I71-V73 PolarHBondContact O-N 3.15Å; V73-C77 WeakPolarHBondContact O-CB 3.17Å; V73-C77 PolarHBondContact O-N 3.32Å |
| 74 | S | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.3 | -39 | 178.7 | 62.5 | 0 | 0 | 0 | 0 | 112.5 | L70 I71 E72 G78 S91 L92 | L70-S74 WeakPolarHBondContact O-CB 3.25Å; L70-S74 PolarHBondContact O-N 3.1Å; L70-S74 PolarHBondContact O-OG 3.35Å; I71-S74 PolarHBondContact O-N 2.89Å; I71-S74 PolarHBondContact O-OG 3.5Å; E72-S74 PolarHBondContact O-N 3.27Å; S74-G78 PolarHBondContact O-N 3.19Å; S74-S91 WeakPolarHBondContact O-CB 3.35Å; S74-S91 PolarHBondContact O-OG 3.2Å; S74-L92 WeakPolarHBondContact OG-CA 3.22Å; S74-L92 VanDerWaalsContact OG-CD1 3.3Å; S74-L92 WeakPolarHBondContact OG-CD1 3.46Å |
| 75 | V | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.7 | -53.9 | 174.8 | 168.8 | 0 | 0 | 0 | 0 | 110.2 | I71 E72 C77 G78 R79 F88 A121 Y124 | I71-V75 HydrophobicContact CG2-CG2 4.36Å; I71-V75 WeakPolarHBondContact O-CB 3.28Å; I71-V75 VanDerWaalsContact O-CG2 3.26Å; I71-V75 WeakPolarHBondContact O-CG2 3.34Å; I71-V75 PolarHBondContact O-N 2.93Å; E72-V75 PolarHBondContact O-N 3.2Å; V75-C77 VanDerWaalsContact C-N 3.33Å; V75-C77 PolarHBondContact O-N 3.38Å; V75-G78 PolarHBondContact O-N 3.06Å; V75-G78 VanDerWaalsContact O-N 3.12Å; V75-R79 HydrophobicContact CG1-CG 4.27Å; V75-R79 WeakPolarHBondContact O-CB 3.36Å; V75-R79 VanDerWaalsContact O-CG 3.25Å; V75-R79 WeakPolarHBondContact O-CG 3.41Å; V75-R79 PolarHBondContact O-N 2.93Å; V75-F88 HydrophobicContact CG1-CD2 4.11Å; V75-F88 HydrophobicContact CG1-CE2 4.34Å; V75-F88 HydrophobicContact CG2-CD2 4.43Å; V75-A121 HydrophobicContact CG2-CB 4.16Å; V75-Y124 HydrophobicContact CB-CD1 4.39Å; V75-Y124 HydrophobicContact CB-CE1 4.39Å; V75-Y124 HydrophobicContact CG1-CD1 4.1Å; V75-Y124 HydrophobicContact CG1-CE1 4.11Å |
| 76 | E | 96.6 | Very high | 97.1 | Very high | 22 Ų | 22 | 25.5 Ų | 25.5 | 10% | 0.103 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.7 | -40.3 | -179.6 | -69.4 | -57.7 | 121.4 | 0 | 0 | 112 | W37 E72 G78 R79 M80 Y124 | W37-E76 PolarHBondContact NE1-OE2 2.83Å; E72-E76 WeakPolarHBondContact O-CB 3.3Å; E72-E76 WeakPolarHBondContact O-CG 3.42Å; E72-E76 PolarHBondContact O-N 2.89Å; E76-G78 VanDerWaalsContact C-N 3.33Å; E76-G78 PolarHBondContact O-N 3.07Å; E76-R79 PolarHBondContact O-N 3.3Å; E76-R79 IonicContact OE1-CZ 2.71Å; E76-R79 IonicContact OE1-NH1 3.87Å; E76-R79 PolarHBondContact OE1-NH1 3.04Å; E76-R79 IonicContact OE2-NH1 3.33Å; E76-M80 WeakPolarHBondContact O-CG 3.42Å; E76-M80 PolarHBondContact O-N 3.04Å; E76-M80 VanDerWaalsContact O-N 3.1Å; E76-Y124 HydrophobicContact CG-CE1 4.05Å; E76-Y124 WeakPolarHBondContact CG-OH 3.49Å; E76-Y124 WeakPolarHBondContact OE1-CE1 3.47Å |
| 77 | C | 96.8 | Very high | 97 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.5 | -44.3 | 173.2 | 172.9 | 0 | 0 | 0 | 0 | 112.4 | M1 Y5 I57 V73 V75 | M1-C77 HydrophobicContact CE-CB 4.27Å; M1-C77 HydrophobicContact SD-CB 3.58Å; M1-C77 VanDerWaalsContact SD-CB 3.58Å; Y5-C77 PolarHBondContact OH-SG 3.1Å; I57-C77 HydrophobicContact CD1-CB 3.67Å; V73-C77 WeakPolarHBondContact O-CB 3.17Å; V73-C77 PolarHBondContact O-N 3.32Å; V75-C77 VanDerWaalsContact C-N 3.33Å; V75-C77 PolarHBondContact O-N 3.38Å |
| 78 | G | 97.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65 | -49.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | S74 V75 E76 M80 T81 H82 | S74-G78 PolarHBondContact O-N 3.19Å; V75-G78 PolarHBondContact O-N 3.06Å; V75-G78 VanDerWaalsContact O-N 3.12Å; E76-G78 VanDerWaalsContact C-N 3.33Å; E76-G78 PolarHBondContact O-N 3.07Å; G78-M80 PolarHBondContact O-N 3.48Å; G78-T81 PolarHBondContact O-N 3.28Å; G78-H82 PolarHBondContact O-N 3.31Å |
| 79 | R | 95.3 | Very high | 96.9 | Very high | 13 Ų | 13 | 11 Ų | 11 | 5% | 0.049 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -59.7 | -29.3 | -177.4 | -70.4 | 175.2 | 66 | -160.6 | -0.5 | 113.5 | T39 V75 E76 T81 N83 F88 T128 | T39-R79 PolarHBondContact OG1-O 2.71Å; V75-R79 HydrophobicContact CG1-CG 4.27Å; V75-R79 WeakPolarHBondContact O-CB 3.36Å; V75-R79 VanDerWaalsContact O-CG 3.25Å; V75-R79 WeakPolarHBondContact O-CG 3.41Å; V75-R79 PolarHBondContact O-N 2.93Å; E76-R79 PolarHBondContact O-N 3.3Å; E76-R79 IonicContact OE1-CZ 2.71Å; E76-R79 IonicContact OE1-NH1 3.87Å; E76-R79 PolarHBondContact OE1-NH1 3.04Å; E76-R79 IonicContact OE2-NH1 3.33Å; R79-T81 PolarHBondContact O-N 3.32Å; R79-N83 HydrophobicContact CB-CB 4.47Å; R79-N83 WeakPolarHBondContact CG-OD1 3.42Å; R79-N83 PolarHBondContact NE-OD1 3.4Å; R79-N83 VanDerWaalsContact NE-OD1 3.12Å; R79-N83 WeakPolarHBondContact O-CB 3.48Å; R79-F88 HydrophobicContact CG-CB 3.89Å; R79-F88 HydrophobicContact CG-CD1 3.5Å; R79-F88 VanDerWaalsContact CG-CD1 3.5Å; R79-F88 HydrophobicContact CG-CD2 4.47Å; R79-F88 HydrophobicContact CG-CE1 4.1Å; R79-F88 HydrophobicContact CG-CG 3.72Å; R79-T128 PolarHBondContact NH1-OG1 2.93Å |
| 80 | M | 95.4 | Very high | 96.9 | Very high | 14 Ų | 14 | 10.2 Ų | 10.2 | 7% | 0.069 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -28 | 173 | -75.2 | 177.8 | -158.2 | 0 | 0 | 114 | M1 V2 Y5 L28 W37 T39 E76 G78 | M1-M80 HydrophobicContact CB-CE 4.3Å; M1-M80 HydrophobicContact CB-SD 4.39Å; M1-M80 HydrophobicContact CG-CE 4.4Å; M1-M80 HydrophobicContact CG-SD 4.11Å; M1-M80 HydrophobicContact SD-CE 4.01Å; M1-M80 HydrophobicContact SD-SD 4.11Å; V2-M80 HydrophobicContact CG2-CE 4.16Å; V2-M80 HydrophobicContact CG2-SD 4.02Å; Y5-M80 HydrophobicContact CD2-CB 4.21Å; Y5-M80 HydrophobicContact CD2-SD 3.97Å; Y5-M80 HydrophobicContact CE2-CB 4.21Å; Y5-M80 HydrophobicContact CE2-SD 3.86Å; L28-M80 HydrophobicContact CD2-CB 4.12Å; L28-M80 HydrophobicContact CD2-CG 4.2Å; W37-M80 HydrophobicContact CB-CE 3.5Å; W37-M80 HydrophobicContact CB-CG 3.72Å; W37-M80 HydrophobicContact CB-SD 4.06Å; W37-M80 HydrophobicContact CG-CE 4.07Å; T39-M80 WeakPolarHBondContact CG2-O 3.36Å; E76-M80 WeakPolarHBondContact O-CG 3.42Å; E76-M80 PolarHBondContact O-N 3.04Å; E76-M80 VanDerWaalsContact O-N 3.1Å; G78-M80 PolarHBondContact O-N 3.48Å |
| 81 | T | 94.9 | Very high | 96.9 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.012 | 6% | 0.056 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | -25.1 | -178.7 | 50.9 | 0 | 0 | 0 | 0 | 114.3 | Y5 A20 T21 K53 G78 R79 | Y5-T81 HydrophobicContact CD2-CG2 4.45Å; A20-T81 VanDerWaalsContact O-O 3.11Å; T21-T81 HydrophobicContact CG2-CG2 4.43Å; K53-T81 PolarHBondContact NZ-OG1 2.71Å; G78-T81 PolarHBondContact O-N 3.28Å; R79-T81 PolarHBondContact O-N 3.32Å |
| 82 | H | 96.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.055 | C | C | . | . | trans | -130.4 | 64.5 | -173.6 | -68.1 | 67.2 | 0 | 0 | 0 | 107.9 | D18 T21 G45 G47 G49 A50 G78 H84 | D18-H82 IonicContact OD2-CE1 3.96Å; D18-H82 IonicContact OD2-NE2 2.72Å; D18-H82 PolarHBondContact OD2-NE2 3.22Å; T21-H82 PolarHBondContact OG1-CE1 2.84Å; G45-H82 VanDerWaalsContact O-CB 3.22Å; G45-H82 WeakPolarHBondContact O-CB 3.37Å; G45-H82 PolarHBondContact O-CD2 3.34Å; G47-H82 PolarHBondContact O-CD2 3.42Å; G49-H82 VanDerWaalsContact C-CE1 3.42Å; G49-H82 VanDerWaalsContact CA-CE1 3.45Å; G49-H82 WeakPolarHBondContact CA-CE1 3.47Å; G49-H82 WeakPolarHBondContact CA-NE2 3.4Å; G49-H82 PolarHBondContact N-NE2 3.45Å; G49-H82 VanDerWaalsContact N-NE2 3.17Å; A50-H82 HydrophobicContact CB-CB 3.67Å; A50-H82 PolarHBondContact N-CE1 3.44Å; A50-H82 VanDerWaalsContact N-CE1 3.28Å; A50-H82 PolarHBondContact N-ND1 2.87Å; A50-H82 PolarHBondContact N-NE2 3.48Å; G78-H82 PolarHBondContact O-N 3.31Å; H82-H84 PolarHBondContact O-N 3.42Å | ||
| 83 | N | 95.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 7.3 Ų | 7.3 | 1% | 0.011 | 4% | 0.044 | C | C | . | . | trans | -78.1 | 63.9 | 179.6 | -162.7 | 21.4 | 0 | 0 | 0 | 110.9 | T39 P40 F41 N42 R79 Y135 | T39-N83 PolarHBondContact O-ND2 2.64Å; P40-N83 VanDerWaalsContact O-CB 3.29Å; P40-N83 WeakPolarHBondContact O-CB 3.4Å; P40-N83 PolarHBondContact O-ND2 2.86Å; F41-N83 WeakPolarHBondContact CD2-O 3.49Å; F41-N83 PolarHBondContact N-ND2 2.77Å; N42-N83 PolarHBondContact N-O 3.34Å; R79-N83 HydrophobicContact CB-CB 4.47Å; R79-N83 WeakPolarHBondContact CG-OD1 3.42Å; R79-N83 PolarHBondContact NE-OD1 3.4Å; R79-N83 VanDerWaalsContact NE-OD1 3.12Å; R79-N83 WeakPolarHBondContact O-CB 3.48Å; N83-Y135 VanDerWaalsContact CG-OH 3.29Å; N83-Y135 PolarHBondContact ND2-OH 3.15Å; N83-Y135 PolarHBondContact OD1-OH 3.11Å; N83-Y135 VanDerWaalsContact OD1-OH 3.13Å | ||
| 84 | H | 95.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 7 Ų | 7 | 4% | 0.037 | 4% | 0.042 | C | C | . | . | S | Bend | trans | -146.4 | 133.6 | 177.7 | -174.8 | -71.9 | 0 | 0 | 0 | 107.2 | F41 N42 E43 G45 H82 T86 G87 F88 H138 | F41-H84 AromaticContact CZ-CD2 3.88Å; N42-H84 WeakPolarHBondContact O-CB 3.27Å; E43-H84 PolarHBondContact O-CD2 3.32Å; G45-H84 VanDerWaalsContact C-CB 3.48Å; G45-H84 WeakPolarHBondContact O-CB 3.45Å; H82-H84 PolarHBondContact O-N 3.42Å; H84-T86 PolarHBondContact CE1-OG1 3.31Å; H84-T86 VanDerWaalsContact CE1-OG1 3.25Å; H84-T86 WeakPolarHBondContact ND1-CB 3.31Å; H84-T86 PolarHBondContact ND1-N 3.34Å; H84-T86 PolarHBondContact ND1-OG1 3.08Å; H84-T86 PolarHBondContact O-N 2.82Å; H84-G87 WeakPolarHBondContact O-CA 3.32Å; H84-G87 PolarHBondContact O-N 3.45Å; H84-F88 WeakPolarHBondContact O-CD1 3.44Å; H84-F88 PolarHBondContact O-N 2.98Å; H84-H138 VanDerWaalsContact CE1-CB 3.45Å; H84-H138 WeakPolarHBondContact CE1-CB 3.44Å; H84-H138 AromaticContact CE1-CD2 3.92Å; H84-H138 AromaticContact CE1-CG 3.39Å; H84-H138 AromaticContact CE1-ND1 3.66Å; H84-H138 AromaticContact NE2-CD2 3.44Å; H84-H138 PolarHBondContact NE2-CD2 3.33Å; H84-H138 AromaticContact NE2-CE1 3.65Å; H84-H138 AromaticContact NE2-CG 3.32Å; H84-H138 VanDerWaalsContact NE2-CG 3.32Å; H84-H138 AromaticContact NE2-ND1 3.46Å; H84-H138 PolarHBondContact NE2-ND1 3.05Å; H84-H138 AromaticContact NE2-NE2 3.65Å |
| 85 | P | 95.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -48.5 | -52.2 | -176.7 | -31.7 | 36.8 | 0 | 0 | 0 | 114.4 | G87 F88 L89 Y135 H138 W139 | P85-G87 PolarHBondContact O-N 2.95Å; P85-G87 VanDerWaalsContact O-N 3.14Å; P85-F88 VanDerWaalsContact CA-CE1 3.43Å; P85-F88 VanDerWaalsContact CA-CZ 3.48Å; P85-F88 HydrophobicContact CB-CE1 4.33Å; P85-F88 HydrophobicContact CB-CZ 4.06Å; P85-F88 HydrophobicContact CG-CE1 4.1Å; P85-F88 HydrophobicContact CG-CZ 4.02Å; P85-F88 VanDerWaalsContact N-CE1 3.34Å; P85-F88 PolarHBondContact O-N 2.93Å; P85-L89 HydrophobicContact CB-CD1 4.23Å; P85-L89 WeakPolarHBondContact O-CB 3.44Å; P85-L89 WeakPolarHBondContact O-CG 3.36Å; P85-L89 PolarHBondContact O-N 3.42Å; P85-Y135 HydrophobicContact CG-CD1 3.91Å; P85-Y135 HydrophobicContact CG-CG 4.35Å; P85-Y135 WeakPolarHBondContact CG-O 3.27Å; P85-H138 HydrophobicContact CB-CB 4.02Å; P85-H138 HydrophobicContact CG-CB 3.8Å; P85-W139 HydrophobicContact CB-CB 4.4Å; P85-W139 HydrophobicContact CB-CE3 4.12Å; P85-W139 HydrophobicContact CG-CE3 4.42Å |
| 86 | T | 95.7 | Very high | 97 | Very high | 30 Ų | 30 | 7 Ų | 7 | 18% | 0.184 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -50.8 | -39.7 | 175.3 | -48.1 | 0 | 0 | 0 | 0 | 113.8 | H84 G90 Y141 | H84-T86 PolarHBondContact CE1-OG1 3.31Å; H84-T86 VanDerWaalsContact CE1-OG1 3.25Å; H84-T86 WeakPolarHBondContact ND1-CB 3.31Å; H84-T86 PolarHBondContact ND1-N 3.34Å; H84-T86 PolarHBondContact ND1-OG1 3.08Å; H84-T86 PolarHBondContact O-N 2.82Å; T86-G90 PolarHBondContact O-N 3.4Å; T86-Y141 HydrophobicContact CG2-CD1 4.19Å; T86-Y141 HydrophobicContact CG2-CE1 4.14Å |
| 87 | G | 96.3 | Very high | 97.1 | Very high | 1 Ų | 1 | 8.1 Ų | 8.1 | 1% | 0.01 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -76.3 | -57.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | H84 P85 L89 G90 S91 | H84-G87 WeakPolarHBondContact O-CA 3.32Å; H84-G87 PolarHBondContact O-N 3.45Å; P85-G87 PolarHBondContact O-N 2.95Å; P85-G87 VanDerWaalsContact O-N 3.14Å; G87-L89 PolarHBondContact O-N 3.26Å; G87-G90 WeakPolarHBondContact O-CA 3.44Å; G87-G90 PolarHBondContact O-N 3.25Å; G87-G90 VanDerWaalsContact O-N 3.09Å; G87-S91 PolarHBondContact O-N 3.36Å |
| 88 | F | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -72.4 | -26.4 | -176.7 | 67.7 | -111.5 | 0 | 0 | 0 | 113.4 | V75 R79 H84 P85 G90 S91 L92 Y135 W139 | V75-F88 HydrophobicContact CG1-CD2 4.11Å; V75-F88 HydrophobicContact CG1-CE2 4.34Å; V75-F88 HydrophobicContact CG2-CD2 4.43Å; R79-F88 HydrophobicContact CG-CB 3.89Å; R79-F88 HydrophobicContact CG-CD1 3.5Å; R79-F88 VanDerWaalsContact CG-CD1 3.5Å; R79-F88 HydrophobicContact CG-CD2 4.47Å; R79-F88 HydrophobicContact CG-CE1 4.1Å; R79-F88 HydrophobicContact CG-CG 3.72Å; H84-F88 WeakPolarHBondContact O-CD1 3.44Å; H84-F88 PolarHBondContact O-N 2.98Å; P85-F88 VanDerWaalsContact CA-CE1 3.43Å; P85-F88 VanDerWaalsContact CA-CZ 3.48Å; P85-F88 HydrophobicContact CB-CE1 4.33Å; P85-F88 HydrophobicContact CB-CZ 4.06Å; P85-F88 HydrophobicContact CG-CE1 4.1Å; P85-F88 HydrophobicContact CG-CZ 4.02Å; P85-F88 VanDerWaalsContact N-CE1 3.34Å; P85-F88 PolarHBondContact O-N 2.93Å; F88-G90 PolarHBondContact O-N 3.13Å; F88-S91 VanDerWaalsContact O-CB 3.27Å; F88-S91 WeakPolarHBondContact O-CB 3.37Å; F88-S91 PolarHBondContact O-N 3.03Å; F88-S91 VanDerWaalsContact O-N 3.11Å; F88-L92 PolarHBondContact O-N 3.46Å; F88-L92 VanDerWaalsContact O-N 3.08Å; F88-Y135 AromaticContact CE1-CD1 3.96Å; F88-Y135 HydrophobicContact CE1-CD1 3.96Å; F88-Y135 AromaticContact CE1-CE1 3.94Å; F88-Y135 HydrophobicContact CE1-CE1 3.94Å; F88-Y135 HydrophobicContact CZ-CD1 4.16Å; F88-W139 HydrophobicContact CE2-CH2 4.46Å; F88-W139 AromaticContact CE2-CZ3 3.75Å; F88-W139 HydrophobicContact CE2-CZ3 3.75Å; F88-W139 HydrophobicContact CZ-CE3 4.4Å; F88-W139 AromaticContact CZ-CZ3 3.93Å; F88-W139 HydrophobicContact CZ-CZ3 3.93Å |
| 89 | L | 98.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 9.7 Ų | 9.7 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -69.1 | -25.3 | 170.3 | -67.3 | 174.1 | 0 | 0 | 0 | 111.6 | P85 G87 S91 L92 C93 A121 W139 F142 | P85-L89 HydrophobicContact CB-CD1 4.23Å; P85-L89 WeakPolarHBondContact O-CB 3.44Å; P85-L89 WeakPolarHBondContact O-CG 3.36Å; P85-L89 PolarHBondContact O-N 3.42Å; G87-L89 PolarHBondContact O-N 3.26Å; L89-S91 VanDerWaalsContact C-N 3.34Å; L89-L92 HydrophobicContact CD2-CD2 3.86Å; L89-L92 PolarHBondContact O-N 3.28Å; L89-C93 VanDerWaalsContact O-CB 3.32Å; L89-C93 WeakPolarHBondContact O-CB 3.42Å; L89-C93 PolarHBondContact O-N 3.42Å; L89-A121 HydrophobicContact CD2-CB 4.38Å; L89-W139 HydrophobicContact CD1-CD2 3.99Å; L89-W139 HydrophobicContact CD1-CE3 3.99Å; L89-W139 HydrophobicContact CD1-CH2 4.23Å; L89-W139 HydrophobicContact CD1-CZ2 4.21Å; L89-W139 HydrophobicContact CD1-CZ3 4.14Å; L89-W139 HydrophobicContact CD2-CH2 3.64Å; L89-W139 HydrophobicContact CD2-CZ2 4Å; L89-W139 HydrophobicContact CD2-CZ3 4.05Å; L89-W139 HydrophobicContact CG-CH2 4.38Å; L89-W139 HydrophobicContact CG-CZ3 4.35Å; L89-F142 HydrophobicContact CB-CD1 3.86Å; L89-F142 HydrophobicContact CB-CD2 3.76Å; L89-F142 HydrophobicContact CB-CE1 3.81Å; L89-F142 HydrophobicContact CB-CE2 3.7Å; L89-F142 HydrophobicContact CB-CG 3.84Å; L89-F142 HydrophobicContact CB-CZ 3.73Å; L89-F142 HydrophobicContact CD1-CB 3.91Å; L89-F142 HydrophobicContact CD1-CD1 3.73Å; L89-F142 HydrophobicContact CD1-CE1 4.39Å; L89-F142 HydrophobicContact CD1-CG 3.8Å; L89-F142 HydrophobicContact CG-CD1 4.4Å; L89-F142 HydrophobicContact CG-CG 4.49Å |
| 90 | G | 98.3 | Very high | 97.4 | Very high | 14 Ų | 14 | 9.5 Ų | 9.5 | 14% | 0.144 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -62.6 | -38.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A51 T86 G87 F88 T94 | A51-G90 WeakPolarHBondContact CB-O 3.22Å; T86-G90 PolarHBondContact O-N 3.4Å; G87-G90 WeakPolarHBondContact O-CA 3.44Å; G87-G90 PolarHBondContact O-N 3.25Å; G87-G90 VanDerWaalsContact O-N 3.09Å; F88-G90 PolarHBondContact O-N 3.13Å; G90-T94 WeakPolarHBondContact O-CB 3.33Å; G90-T94 PolarHBondContact O-N 3.17Å; G90-T94 PolarHBondContact O-OG1 3.09Å |
| 91 | S | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.5 | -47.6 | 171.2 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | A54 S74 G87 F88 L89 T94 A95 | A54-S91 VanDerWaalsContact CB-O 3.31Å; A54-S91 WeakPolarHBondContact CB-O 3.28Å; A54-S91 VanDerWaalsContact CB-OG 3.27Å; A54-S91 WeakPolarHBondContact CB-OG 3.45Å; S74-S91 WeakPolarHBondContact O-CB 3.35Å; S74-S91 PolarHBondContact O-OG 3.2Å; G87-S91 PolarHBondContact O-N 3.36Å; F88-S91 VanDerWaalsContact O-CB 3.27Å; F88-S91 WeakPolarHBondContact O-CB 3.37Å; F88-S91 PolarHBondContact O-N 3.03Å; F88-S91 VanDerWaalsContact O-N 3.11Å; L89-S91 VanDerWaalsContact C-N 3.34Å; S91-T94 PolarHBondContact O-N 3.4Å; S91-A95 PolarHBondContact O-N 3.19Å |
| 92 | L | 98.8 | Very high | 97.7 | Very high | 1 Ų | 1 | 13.5 Ų | 13.5 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -57.3 | -51.3 | 174.8 | 173.5 | 62.9 | 0 | 0 | 0 | 112.1 | L70 I71 S74 F88 L89 T94 A95 L96 A121 | L70-L92 HydrophobicContact CD2-CD1 4.08Å; I71-L92 HydrophobicContact CB-CD1 4.32Å; I71-L92 HydrophobicContact CG1-CD1 3.86Å; S74-L92 WeakPolarHBondContact OG-CA 3.22Å; S74-L92 VanDerWaalsContact OG-CD1 3.3Å; S74-L92 WeakPolarHBondContact OG-CD1 3.46Å; F88-L92 PolarHBondContact O-N 3.46Å; F88-L92 VanDerWaalsContact O-N 3.08Å; L89-L92 HydrophobicContact CD2-CD2 3.86Å; L89-L92 PolarHBondContact O-N 3.28Å; L92-T94 VanDerWaalsContact C-N 3.28Å; L92-T94 PolarHBondContact O-N 2.92Å; L92-A95 PolarHBondContact O-N 3.38Å; L92-L96 HydrophobicContact CD1-CD1 3.68Å; L92-L96 HydrophobicContact CD1-CG 3.89Å; L92-L96 HydrophobicContact CD2-CD1 4.44Å; L92-L96 HydrophobicContact CG-CD1 3.74Å; L92-L96 HydrophobicContact CG-CG 4.35Å; L92-L96 WeakPolarHBondContact O-CB 3.36Å; L92-L96 WeakPolarHBondContact O-CG 2.94Å; L92-L96 PolarHBondContact O-N 3.09Å; L92-A121 HydrophobicContact CD2-CB 3.55Å |
| 93 | C | 98.8 | Very high | 97.8 | Very high | 8 Ų | 8 | 16.1 Ų | 16.1 | 5% | 0.054 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -54.8 | -46.2 | 179 | -179.1 | 0 | 0 | 0 | 0 | 111.5 | L89 L96 F97 M114 F142 W146 | L89-C93 VanDerWaalsContact O-CB 3.32Å; L89-C93 WeakPolarHBondContact O-CB 3.42Å; L89-C93 PolarHBondContact O-N 3.42Å; C93-L96 PolarHBondContact O-N 3.42Å; C93-F97 WeakPolarHBondContact O-CB 3.49Å; C93-F97 WeakPolarHBondContact O-CD1 3.23Å; C93-F97 WeakPolarHBondContact O-CG 3.39Å; C93-F97 PolarHBondContact O-N 3.12Å; C93-M114 HydrophobicContact CB-CG 4.2Å; C93-F142 HydrophobicContact CB-CZ 4.16Å; C93-W146 WeakPolarHBondContact SG-CZ2 3.44Å |
| 94 | T | 98.8 | Very high | 98 | Very high | 30 Ų | 30 | 19 Ų | 19 | 18% | 0.184 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 179.3 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | A51 A54 M55 G90 S91 L92 L96 F97 V98 | A51-T94 WeakPolarHBondContact O-CG2 3.35Å; A51-T94 PolarHBondContact O-OG1 2.97Å; A54-T94 HydrophobicContact CB-CG2 4.24Å; M55-T94 HydrophobicContact CB-CG2 4.32Å; M55-T94 HydrophobicContact CG-CG2 3.48Å; M55-T94 VanDerWaalsContact CG-CG2 3.48Å; M55-T94 HydrophobicContact SD-CG2 3.61Å; G90-T94 WeakPolarHBondContact O-CB 3.33Å; G90-T94 PolarHBondContact O-N 3.17Å; G90-T94 PolarHBondContact O-OG1 3.09Å; S91-T94 PolarHBondContact O-N 3.4Å; L92-T94 VanDerWaalsContact C-N 3.28Å; L92-T94 PolarHBondContact O-N 2.92Å; T94-L96 VanDerWaalsContact C-N 3.34Å; T94-L96 PolarHBondContact O-N 3.3Å; T94-F97 PolarHBondContact O-N 3.47Å; T94-V98 WeakPolarHBondContact O-CG2 3.36Å; T94-V98 PolarHBondContact O-N 2.91Å; T94-V98 VanDerWaalsContact O-N 3.09Å |
| 95 | A | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | I57 G58 L70 S91 L92 V98 S99 | I57-A95 HydrophobicContact CB-CB 4.09Å; I57-A95 HydrophobicContact CG2-CB 4.13Å; G58-A95 WeakPolarHBondContact CA-O 3.42Å; L70-A95 HydrophobicContact CD2-CB 3.84Å; L70-A95 HydrophobicContact CG-CB 4.16Å; S91-A95 PolarHBondContact O-N 3.19Å; L92-A95 PolarHBondContact O-N 3.38Å; A95-V98 PolarHBondContact O-N 3.19Å; A95-S99 PolarHBondContact O-N 3.39Å |
| 96 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.5 | -49.8 | 177.3 | -75.8 | 170.4 | 0 | 0 | 0 | 111.5 | L67 L70 L92 C93 T94 V98 S99 F100 M114 A117 | L67-L96 HydrophobicContact CD1-CD2 3.62Å; L70-L96 HydrophobicContact CD2-CD2 3.64Å; L70-L96 HydrophobicContact CD2-CG 3.79Å; L92-L96 HydrophobicContact CD1-CD1 3.68Å; L92-L96 HydrophobicContact CD1-CG 3.89Å; L92-L96 HydrophobicContact CD2-CD1 4.44Å; L92-L96 HydrophobicContact CG-CD1 3.74Å; L92-L96 HydrophobicContact CG-CG 4.35Å; L92-L96 WeakPolarHBondContact O-CB 3.36Å; L92-L96 WeakPolarHBondContact O-CG 2.94Å; L92-L96 PolarHBondContact O-N 3.09Å; C93-L96 PolarHBondContact O-N 3.42Å; T94-L96 VanDerWaalsContact C-N 3.34Å; T94-L96 PolarHBondContact O-N 3.3Å; L96-V98 VanDerWaalsContact C-N 3.28Å; L96-V98 PolarHBondContact O-N 3.49Å; L96-S99 CarbonylContact O-C 3.57Å; L96-S99 WeakPolarHBondContact O-CA 3.26Å; L96-S99 WeakPolarHBondContact O-CB 3.35Å; L96-S99 PolarHBondContact O-N 2.96Å; L96-S99 PolarHBondContact O-OG 2.96Å; L96-F100 HydrophobicContact CB-CE2 4.03Å; L96-F100 HydrophobicContact CB-CZ 3.96Å; L96-F100 HydrophobicContact CD2-CE1 4.19Å; L96-F100 HydrophobicContact CD2-CZ 4Å; L96-F100 HydrophobicContact CG-CZ 4.46Å; L96-F100 WeakPolarHBondContact O-CD1 3.45Å; L96-F100 WeakPolarHBondContact O-CD2 3.39Å; L96-F100 WeakPolarHBondContact O-CG 3.39Å; L96-F100 PolarHBondContact O-N 3.07Å; L96-M114 HydrophobicContact CD1-CB 4.23Å; L96-M114 HydrophobicContact CD1-CG 3.87Å; L96-A117 HydrophobicContact CD1-CB 3.78Å; L96-A117 HydrophobicContact CD2-CB 4.38Å |
| 97 | F | 98.9 | Very high | 98.2 | Very high | 45 Ų | 45 | 29.4 Ų | 29.4 | 20% | 0.197 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | -179.1 | -76.8 | 11.1 | 0 | 0 | 0 | 112.1 | C93 T94 F100 A101 W110 M114 W146 | C93-F97 WeakPolarHBondContact O-CB 3.49Å; C93-F97 WeakPolarHBondContact O-CD1 3.23Å; C93-F97 WeakPolarHBondContact O-CG 3.39Å; C93-F97 PolarHBondContact O-N 3.12Å; T94-F97 PolarHBondContact O-N 3.47Å; F97-F100 HydrophobicContact CD1-CD2 4.05Å; F97-F100 HydrophobicContact CD1-CE2 4.21Å; F97-F100 PolarHBondContact O-N 3.06Å; F97-A101 WeakPolarHBondContact O-CB 3.35Å; F97-A101 PolarHBondContact O-N 3.34Å; F97-W110 HydrophobicContact CB-CE3 3.68Å; F97-W110 HydrophobicContact CB-CZ3 3.94Å; F97-W110 HydrophobicContact CD1-CB 3.88Å; F97-W110 HydrophobicContact CD1-CE3 4.17Å; F97-W110 AromaticContact CD2-CE3 3.87Å; F97-W110 HydrophobicContact CD2-CE3 3.87Å; F97-W110 HydrophobicContact CD2-CZ3 4.46Å; F97-W110 HydrophobicContact CE1-CB 3.72Å; F97-W110 WeakPolarHBondContact CE1-O 3.42Å; F97-W110 HydrophobicContact CG-CB 4.47Å; F97-W110 HydrophobicContact CG-CD2 4.47Å; F97-W110 AromaticContact CG-CE3 3.65Å; F97-W110 HydrophobicContact CG-CE3 3.65Å; F97-W110 HydrophobicContact CG-CZ3 4.34Å; F97-W110 HydrophobicContact CZ-CB 4.18Å; F97-M114 HydrophobicContact CD1-CB 4.44Å; F97-M114 HydrophobicContact CE1-CB 3.72Å; F97-M114 HydrophobicContact CE1-CG 4.15Å; F97-W146 AromaticContact CE2-CH2 3.75Å; F97-W146 HydrophobicContact CE2-CH2 3.75Å; F97-W146 HydrophobicContact CE2-CZ2 4.49Å; F97-W146 HydrophobicContact CE2-CZ3 4.44Å; F97-W146 AromaticContact CZ-CH2 3.62Å; F97-W146 HydrophobicContact CZ-CH2 3.62Å; F97-W146 HydrophobicContact CZ-CZ2 4.34Å; F97-W146 AromaticContact CZ-CZ3 3.98Å; F97-W146 HydrophobicContact CZ-CZ3 3.98Å |
| 98 | V | 98.8 | Very high | 98.3 | Very high | 32 Ų | 32 | 30.6 Ų | 30.6 | 19% | 0.194 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.2 | -37 | 175 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | M55 L59 T94 A95 L96 F100 A101 A102 | M55-V98 HydrophobicContact CB-CG2 3.92Å; M55-V98 HydrophobicContact CG-CG2 4.03Å; M55-V98 WeakPolarHBondContact O-CG1 3.41Å; L59-V98 HydrophobicContact CD2-CG1 3.7Å; L59-V98 HydrophobicContact CG-CG1 3.62Å; T94-V98 WeakPolarHBondContact O-CG2 3.36Å; T94-V98 PolarHBondContact O-N 2.91Å; T94-V98 VanDerWaalsContact O-N 3.09Å; A95-V98 PolarHBondContact O-N 3.19Å; L96-V98 VanDerWaalsContact C-N 3.28Å; L96-V98 PolarHBondContact O-N 3.49Å; V98-F100 VanDerWaalsContact C-N 3.34Å; V98-A101 PolarHBondContact O-N 3.25Å; V98-A102 WeakPolarHBondContact O-CB 3.25Å; V98-A102 PolarHBondContact O-N 2.87Å |
| 99 | S | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.8 | -40 | 172.2 | 78.6 | 0 | 0 | 0 | 0 | 112.1 | A95 L96 A102 Q103 | A95-S99 PolarHBondContact O-N 3.39Å; L96-S99 CarbonylContact O-C 3.57Å; L96-S99 WeakPolarHBondContact O-CA 3.26Å; L96-S99 WeakPolarHBondContact O-CB 3.35Å; L96-S99 PolarHBondContact O-N 2.96Å; L96-S99 PolarHBondContact O-OG 2.96Å; S99-A102 PolarHBondContact O-N 3.43Å; S99-Q103 WeakPolarHBondContact O-CB 3.48Å; S99-Q103 WeakPolarHBondContact O-CG 3.36Å; S99-Q103 PolarHBondContact O-N 2.92Å; S99-Q103 PolarHBondContact O-NE2 3Å |
| 100 | F | 98.8 | Very high | 98.3 | Very high | 9 Ų | 9 | 35.7 Ų | 35.7 | 4% | 0.039 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.5 | -40.3 | 178.7 | -61.7 | -18.2 | 0 | 0 | 0 | 111.5 | L96 F97 V98 Q103 G104 K105 W110 D113 M114 | L96-F100 HydrophobicContact CB-CE2 4.03Å; L96-F100 HydrophobicContact CB-CZ 3.96Å; L96-F100 HydrophobicContact CD2-CE1 4.19Å; L96-F100 HydrophobicContact CD2-CZ 4Å; L96-F100 HydrophobicContact CG-CZ 4.46Å; L96-F100 WeakPolarHBondContact O-CD1 3.45Å; L96-F100 WeakPolarHBondContact O-CD2 3.39Å; L96-F100 WeakPolarHBondContact O-CG 3.39Å; L96-F100 PolarHBondContact O-N 3.07Å; F97-F100 HydrophobicContact CD1-CD2 4.05Å; F97-F100 HydrophobicContact CD1-CE2 4.21Å; F97-F100 PolarHBondContact O-N 3.06Å; V98-F100 VanDerWaalsContact C-N 3.34Å; F100-Q103 CarbonylContact O-C 3.59Å; F100-Q103 PolarHBondContact O-N 3.38Å; F100-G104 PolarHBondContact O-N 2.68Å; F100-G104 VanDerWaalsContact O-N 3.12Å; F100-K105 HydrophobicContact CB-CB 4.1Å; F100-K105 HydrophobicContact CB-CD 4.04Å; F100-K105 HydrophobicContact CB-CG 4.45Å; F100-K105 HydrophobicContact CD1-CD 3.72Å; F100-K105 HydrophobicContact CE1-CD 4.39Å; F100-K105 HydrophobicContact CG-CD 3.93Å; F100-K105 PolarHBondContact O-N 3.1Å; F100-W110 HydrophobicContact CB-CD2 4.1Å; F100-W110 HydrophobicContact CB-CG 4.09Å; F100-W110 HydrophobicContact CD2-CB 3.91Å; F100-W110 AromaticContact CD2-CD1 3.99Å; F100-W110 HydrophobicContact CD2-CD2 4.41Å; F100-W110 AromaticContact CD2-CG 3.83Å; F100-W110 HydrophobicContact CD2-CG 3.83Å; F100-W110 HydrophobicContact CG-CG 4.46Å; F100-D113 HydrophobicContact CE1-CB 4.44Å; F100-D113 HydrophobicContact CE2-CB 3.71Å; F100-D113 HydrophobicContact CZ-CB 3.63Å; F100-M114 HydrophobicContact CE2-CB 4.48Å |
| 101 | A | 98.7 | Very high | 98.3 | Very high | 52 Ų | 52 | 35.3 Ų | 35.3 | 43% | 0.43 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.9 | -48.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | F97 V98 Q103 G104 W110 | F97-A101 WeakPolarHBondContact O-CB 3.35Å; F97-A101 PolarHBondContact O-N 3.34Å; V98-A101 PolarHBondContact O-N 3.25Å; A101-Q103 VanDerWaalsContact C-N 3.25Å; A101-Q103 PolarHBondContact O-N 2.94Å; A101-G104 PolarHBondContact O-N 3.48Å; A101-W110 HydrophobicContact CB-CH2 3.65Å; A101-W110 HydrophobicContact CB-CZ2 3.77Å |
| 102 | A | 98.5 | Very high | 98.2 | Very high | 49 Ų | 49 | 35.8 Ų | 35.8 | 41% | 0.405 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.4 | -28.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | W62 V98 S99 G104 | W62-A102 HydrophobicContact CB-CB 3.75Å; W62-A102 HydrophobicContact CD2-CB 4.37Å; W62-A102 HydrophobicContact CE3-CB 4.37Å; W62-A102 HydrophobicContact CG-CB 4.15Å; V98-A102 WeakPolarHBondContact O-CB 3.25Å; V98-A102 PolarHBondContact O-N 2.87Å; S99-A102 PolarHBondContact O-N 3.43Å; A102-G104 VanDerWaalsContact C-N 3.32Å |
| 103 | Q | 98.4 | Very high | 98.2 | Very high | 54 Ų | 54 | 36.9 Ų | 36.9 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -7.2 | 173.7 | -69.5 | 169.5 | 45.7 | 0 | 0 | 113.6 | W62 S99 F100 A101 K105 | W62-Q103 HydrophobicContact CE3-CG 3.95Å; W62-Q103 HydrophobicContact CZ3-CG 4.38Å; W62-Q103 WeakPolarHBondContact O-CG 3.34Å; W62-Q103 PolarHBondContact O-NE2 2.94Å; S99-Q103 WeakPolarHBondContact O-CB 3.48Å; S99-Q103 WeakPolarHBondContact O-CG 3.36Å; S99-Q103 PolarHBondContact O-N 2.92Å; S99-Q103 PolarHBondContact O-NE2 3Å; F100-Q103 CarbonylContact O-C 3.59Å; F100-Q103 PolarHBondContact O-N 3.38Å; A101-Q103 VanDerWaalsContact C-N 3.25Å; A101-Q103 PolarHBondContact O-N 2.94Å; Q103-K105 VanDerWaalsContact C-N 3.3Å; Q103-K105 HydrophobicContact CB-CG 4.18Å; Q103-K105 PolarHBondContact O-N 3.46Å; Q103-K105 VanDerWaalsContact OE1-CE 3.3Å |
| 104 | G | 98.2 | Very high | 98.1 | Very high | 64 Ų | 64 | 36.5 Ų | 36.5 | 66% | 0.66 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 23.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F100 A101 A102 | F100-G104 PolarHBondContact O-N 2.68Å; F100-G104 VanDerWaalsContact O-N 3.12Å; A101-G104 PolarHBondContact O-N 3.48Å; A102-G104 VanDerWaalsContact C-N 3.32Å |
| 105 | K | 97.9 | Very high | 98.1 | Very high | 62 Ų | 62 | 36.3 Ų | 36.3 | 27% | 0.27 | 22% | 0.216 | S | C | . | . | trans | -67.3 | 140.6 | 178.8 | -74.5 | -170.1 | 169.7 | -167.7 | 0 | 111.3 | F100 Q103 L107 W110 D113 | F100-K105 HydrophobicContact CB-CB 4.1Å; F100-K105 HydrophobicContact CB-CD 4.04Å; F100-K105 HydrophobicContact CB-CG 4.45Å; F100-K105 HydrophobicContact CD1-CD 3.72Å; F100-K105 HydrophobicContact CE1-CD 4.39Å; F100-K105 HydrophobicContact CG-CD 3.93Å; F100-K105 PolarHBondContact O-N 3.1Å; Q103-K105 VanDerWaalsContact C-N 3.3Å; Q103-K105 HydrophobicContact CB-CG 4.18Å; Q103-K105 PolarHBondContact O-N 3.46Å; Q103-K105 VanDerWaalsContact OE1-CE 3.3Å; K105-L107 PolarHBondContact O-N 3.25Å; K105-W110 PolarHBondContact O-NE1 2.82Å; K105-D113 IonicContact NZ-OD2 3.91Å; K105-D113 PolarHBondContact NZ-OD2 3.28Å | ||
| 106 | P | 97 | Very high | 98 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 44% | 0.442 | 24% | 0.24 | S | C | . | . | trans | -55.4 | 127.5 | 173.4 | -24.6 | 33.3 | 0 | 0 | 0 | 112.1 | V108 Q109 W110 | P106-V108 HydrophobicContact CB-CG1 4.14Å; P106-V108 PolarHBondContact O-N 3.35Å; P106-V108 VanDerWaalsContact O-N 3.11Å; P106-Q109 HydrophobicContact CB-CG 4.25Å; P106-Q109 WeakPolarHBondContact O-CB 3.17Å; P106-Q109 PolarHBondContact O-N 3.17Å; P106-W110 PolarHBondContact O-NE1 2.89Å | ||
| 107 | L | 96.9 | Very high | 98 | Very high | 125 Ų | 125 | 42.7 Ų | 42.7 | 65% | 0.654 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -52.3 | -37.9 | -177.1 | 178.4 | 58.9 | 0 | 0 | 0 | 113.1 | K105 Q109 W110 | K105-L107 PolarHBondContact O-N 3.25Å; L107-Q109 PolarHBondContact O-N 3.13Å; L107-Q109 VanDerWaalsContact O-N 3.11Å; L107-W110 HydrophobicContact CD1-CD2 3.55Å; L107-W110 HydrophobicContact CD1-CE3 3.37Å; L107-W110 HydrophobicContact CD1-CG 4.19Å; L107-W110 HydrophobicContact CD1-CH2 3.88Å; L107-W110 HydrophobicContact CD1-CZ2 4.05Å; L107-W110 HydrophobicContact CD1-CZ3 3.55Å; L107-W110 WeakPolarHBondContact O-CB 3.45Å; L107-W110 PolarHBondContact O-N 3.24Å; L107-W110 VanDerWaalsContact O-N 3.11Å |
| 108 | V | 96.9 | Very high | 97.9 | Very high | 27 Ų | 27 | 40.6 Ų | 40.6 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -59.5 | -22.6 | 179.5 | 65.3 | 0 | 0 | 0 | 0 | 113.9 | P106 R112 I155 | P106-V108 HydrophobicContact CB-CG1 4.14Å; P106-V108 PolarHBondContact O-N 3.35Å; P106-V108 VanDerWaalsContact O-N 3.11Å; V108-R112 PolarHBondContact O-NH1 2.95Å; V108-I155 HydrophobicContact CG2-CB 3.9Å; V108-I155 HydrophobicContact CG2-CG2 3.44Å; V108-I155 VanDerWaalsContact CG2-CG2 3.44Å |
| 109 | Q | 97.1 | Very high | 97.8 | Very high | 62 Ų | 62 | 42.3 Ų | 42.3 | 29% | 0.29 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -87.8 | -18.5 | -179.3 | -63.7 | 177.1 | -8.2 | 0 | 0 | 113 | P106 L107 G111 R112 D113 | P106-Q109 HydrophobicContact CB-CG 4.25Å; P106-Q109 WeakPolarHBondContact O-CB 3.17Å; P106-Q109 PolarHBondContact O-N 3.17Å; L107-Q109 PolarHBondContact O-N 3.13Å; L107-Q109 VanDerWaalsContact O-N 3.11Å; Q109-G111 PolarHBondContact O-N 3.12Å; Q109-R112 PolarHBondContact O-N 3.5Å; Q109-R112 VanDerWaalsContact O-N 3.13Å; Q109-D113 PolarHBondContact O-N 3Å |
| 110 | W | 98.3 | Very high | 97.8 | Very high | 45 Ų | 45 | 46.2 Ų | 46.2 | 17% | 0.17 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.7 | -43.9 | -165.2 | -70 | 12.5 | 0 | 0 | 0 | 112.9 | F97 F100 A101 K105 P106 L107 R112 D113 M114 | F97-W110 HydrophobicContact CB-CE3 3.68Å; F97-W110 HydrophobicContact CB-CZ3 3.94Å; F97-W110 HydrophobicContact CD1-CB 3.88Å; F97-W110 HydrophobicContact CD1-CE3 4.17Å; F97-W110 AromaticContact CD2-CE3 3.87Å; F97-W110 HydrophobicContact CD2-CE3 3.87Å; F97-W110 HydrophobicContact CD2-CZ3 4.46Å; F97-W110 HydrophobicContact CE1-CB 3.72Å; F97-W110 WeakPolarHBondContact CE1-O 3.42Å; F97-W110 HydrophobicContact CG-CB 4.47Å; F97-W110 HydrophobicContact CG-CD2 4.47Å; F97-W110 AromaticContact CG-CE3 3.65Å; F97-W110 HydrophobicContact CG-CE3 3.65Å; F97-W110 HydrophobicContact CG-CZ3 4.34Å; F97-W110 HydrophobicContact CZ-CB 4.18Å; F100-W110 HydrophobicContact CB-CD2 4.1Å; F100-W110 HydrophobicContact CB-CG 4.09Å; F100-W110 HydrophobicContact CD2-CB 3.91Å; F100-W110 AromaticContact CD2-CD1 3.99Å; F100-W110 HydrophobicContact CD2-CD2 4.41Å; F100-W110 AromaticContact CD2-CG 3.83Å; F100-W110 HydrophobicContact CD2-CG 3.83Å; F100-W110 HydrophobicContact CG-CG 4.46Å; A101-W110 HydrophobicContact CB-CH2 3.65Å; A101-W110 HydrophobicContact CB-CZ2 3.77Å; K105-W110 PolarHBondContact O-NE1 2.82Å; P106-W110 PolarHBondContact O-NE1 2.89Å; L107-W110 HydrophobicContact CD1-CD2 3.55Å; L107-W110 HydrophobicContact CD1-CE3 3.37Å; L107-W110 HydrophobicContact CD1-CG 4.19Å; L107-W110 HydrophobicContact CD1-CH2 3.88Å; L107-W110 HydrophobicContact CD1-CZ2 4.05Å; L107-W110 HydrophobicContact CD1-CZ3 3.55Å; L107-W110 WeakPolarHBondContact O-CB 3.45Å; L107-W110 PolarHBondContact O-N 3.24Å; L107-W110 VanDerWaalsContact O-N 3.11Å; W110-R112 PolarHBondContact O-N 3.06Å; W110-D113 PolarHBondContact O-N 2.96Å; W110-M114 VanDerWaalsContact O-CB 3.27Å; W110-M114 WeakPolarHBondContact O-CB 3.22Å; W110-M114 PolarHBondContact O-N 3.19Å |
| 111 | G | 98.2 | Very high | 97.7 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 6% | 0.062 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q109 M114 L115 | Q109-G111 PolarHBondContact O-N 3.12Å; G111-M114 PolarHBondContact O-N 3.33Å; G111-L115 WeakPolarHBondContact O-CG 3.19Å; G111-L115 PolarHBondContact O-N 3.22Å |
| 112 | R | 96.9 | Very high | 97.6 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.1 | -46.4 | 177.6 | -59.9 | -169.9 | -66.5 | -98.5 | 13.3 | 111.3 | V108 Q109 W110 M114 L115 R116 L150 I155 S156 K157 D158 E160 | V108-R112 PolarHBondContact O-NH1 2.95Å; Q109-R112 PolarHBondContact O-N 3.5Å; Q109-R112 VanDerWaalsContact O-N 3.13Å; W110-R112 PolarHBondContact O-N 3.06Å; R112-M114 VanDerWaalsContact C-N 3.28Å; R112-M114 PolarHBondContact O-N 3.43Å; R112-L115 PolarHBondContact O-N 3.38Å; R112-R116 WeakPolarHBondContact O-CG 3.48Å; R112-R116 PolarHBondContact O-N 3Å; R112-L150 HydrophobicContact CG-CD1 4.3Å; R112-I155 WeakPolarHBondContact CD-O 3.49Å; R112-I155 WeakPolarHBondContact CG-O 3.44Å; R112-I155 PolarHBondContact NH1-O 3.13Å; R112-S156 VanDerWaalsContact CD-C 3.49Å; R112-S156 WeakPolarHBondContact CD-O 3.47Å; R112-K157 VanDerWaalsContact CZ-O 3.25Å; R112-K157 PolarHBondContact NH1-O 3.12Å; R112-D158 IonicContact NE-OD1 2.71Å; R112-D158 PolarHBondContact NE-OD1 3.02Å; R112-D158 IonicContact NH2-OD1 3.83Å; R112-E160 PolarHBondContact NH1-O 3.25Å |
| 113 | D | 97.9 | Very high | 97.4 | Very high | 24 Ų | 24 | 49 Ų | 49 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.8 | -34.1 | 177.9 | -80 | 2.8 | 0 | 0 | 0 | 112.2 | F100 K105 Q109 W110 R116 A117 | F100-D113 HydrophobicContact CE1-CB 4.44Å; F100-D113 HydrophobicContact CE2-CB 3.71Å; F100-D113 HydrophobicContact CZ-CB 3.63Å; K105-D113 IonicContact NZ-OD2 3.91Å; K105-D113 PolarHBondContact NZ-OD2 3.28Å; Q109-D113 PolarHBondContact O-N 3Å; W110-D113 PolarHBondContact O-N 2.96Å; D113-R116 PolarHBondContact O-N 2.83Å; D113-R116 IonicContact OD1-CZ 3.99Å; D113-R116 IonicContact OD1-NH1 2.71Å; D113-R116 PolarHBondContact OD1-NH1 2.95Å; D113-A117 PolarHBondContact O-N 3.45Å |
| 114 | M | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.3 | -48 | 172.6 | 179.1 | -75.5 | -65.7 | 0 | 0 | 111.2 | C93 L96 F97 F100 W110 G111 R112 R116 A117 V118 F142 W146 | C93-M114 HydrophobicContact CB-CG 4.2Å; L96-M114 HydrophobicContact CD1-CB 4.23Å; L96-M114 HydrophobicContact CD1-CG 3.87Å; F97-M114 HydrophobicContact CD1-CB 4.44Å; F97-M114 HydrophobicContact CE1-CB 3.72Å; F97-M114 HydrophobicContact CE1-CG 4.15Å; F100-M114 HydrophobicContact CE2-CB 4.48Å; W110-M114 VanDerWaalsContact O-CB 3.27Å; W110-M114 WeakPolarHBondContact O-CB 3.22Å; W110-M114 PolarHBondContact O-N 3.19Å; G111-M114 PolarHBondContact O-N 3.33Å; R112-M114 VanDerWaalsContact C-N 3.28Å; R112-M114 PolarHBondContact O-N 3.43Å; M114-R116 VanDerWaalsContact C-N 3.27Å; M114-R116 PolarHBondContact O-N 2.84Å; M114-A117 WeakPolarHBondContact O-CA 3.12Å; M114-A117 WeakPolarHBondContact O-CB 3.49Å; M114-A117 PolarHBondContact O-N 2.94Å; M114-V118 PolarHBondContact O-N 3.2Å; M114-V118 VanDerWaalsContact O-N 3.13Å; M114-V118 HydrophobicContact SD-CG2 3.72Å; M114-F142 HydrophobicContact CE-CE1 4.21Å; M114-F142 HydrophobicContact CE-CZ 4.49Å; M114-F142 HydrophobicContact SD-CE1 3.91Å; M114-F142 HydrophobicContact SD-CZ 4.33Å; M114-W146 HydrophobicContact CE-CB 4.06Å; M114-W146 HydrophobicContact CE-CD2 3.34Å; M114-W146 HydrophobicContact CE-CE3 3.83Å; M114-W146 HydrophobicContact CE-CG 3.43Å; M114-W146 VanDerWaalsContact CE-CG 3.43Å; M114-W146 HydrophobicContact CE-CZ2 4.26Å; M114-W146 HydrophobicContact CE-CZ3 4.46Å |
| 115 | L | 97.9 | Very high | 97.1 | Very high | 25 Ų | 25 | 45.8 Ų | 45.8 | 13% | 0.131 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.4 | -35.1 | 176 | -74.4 | -179.3 | 0 | 0 | 0 | 112.5 | G111 R112 A117 V118 P119 E143 W146 Q147 L150 | G111-L115 WeakPolarHBondContact O-CG 3.19Å; G111-L115 PolarHBondContact O-N 3.22Å; R112-L115 PolarHBondContact O-N 3.38Å; L115-A117 PolarHBondContact O-N 3.32Å; L115-V118 HydrophobicContact CD2-CG2 4.45Å; L115-V118 PolarHBondContact O-N 3.35Å; L115-P119 WeakPolarHBondContact O-CD 3.31Å; L115-E143 HydrophobicContact CD2-CG 4.15Å; L115-W146 HydrophobicContact CD1-CB 4.38Å; L115-W146 HydrophobicContact CD2-CB 3.83Å; L115-W146 HydrophobicContact CG-CB 4.33Å; L115-Q147 HydrophobicContact CD1-CG 3.77Å; L115-L150 HydrophobicContact CD1-CD1 3.61Å; L115-L150 HydrophobicContact CG-CD1 4.42Å |
| 116 | R | 97.5 | Very high | 96.8 | Very high | 130 Ų | 130 | 51 Ų | 51 | 49% | 0.491 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.2 | -26.2 | 172.6 | -70.3 | 170.8 | -174.5 | 147.3 | -2.6 | 113.2 | R112 D113 M114 D158 | R112-R116 WeakPolarHBondContact O-CG 3.48Å; R112-R116 PolarHBondContact O-N 3Å; D113-R116 PolarHBondContact O-N 2.83Å; D113-R116 IonicContact OD1-CZ 3.99Å; D113-R116 IonicContact OD1-NH1 2.71Å; D113-R116 PolarHBondContact OD1-NH1 2.95Å; M114-R116 VanDerWaalsContact C-N 3.27Å; M114-R116 PolarHBondContact O-N 2.84Å; R116-D158 IonicContact CZ-OD1 2.96Å; R116-D158 IonicContact NH1-OD1 3.51Å; R116-D158 VanDerWaalsContact NH2-CG 3.32Å; R116-D158 IonicContact NH2-OD1 3.32Å; R116-D158 PolarHBondContact NH2-OD1 3.07Å; R116-D158 IonicContact NH2-OD2 3.68Å; R116-D158 PolarHBondContact NH2-OD2 3.16Å |
| 117 | A | 98.1 | Very high | 96.6 | Very high | 5 Ų | 5 | 54.4 Ų | 54.4 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -87.5 | -18.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L96 D113 M114 L115 L120 A121 | L96-A117 HydrophobicContact CD1-CB 3.78Å; L96-A117 HydrophobicContact CD2-CB 4.38Å; D113-A117 PolarHBondContact O-N 3.45Å; M114-A117 WeakPolarHBondContact O-CA 3.12Å; M114-A117 WeakPolarHBondContact O-CB 3.49Å; M114-A117 PolarHBondContact O-N 2.94Å; L115-A117 PolarHBondContact O-N 3.32Å; A117-L120 WeakPolarHBondContact O-CB 3.45Å; A117-L120 PolarHBondContact O-N 3.08Å; A117-A121 PolarHBondContact O-N 2.9Å |
| 118 | V | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.8 | -48.6 | 179.5 | 169.8 | 0 | 0 | 0 | 0 | 111.8 | M114 L115 L120 A121 E122 W139 F142 | M114-V118 PolarHBondContact O-N 3.2Å; M114-V118 VanDerWaalsContact O-N 3.13Å; M114-V118 HydrophobicContact SD-CG2 3.72Å; L115-V118 HydrophobicContact CD2-CG2 4.45Å; L115-V118 PolarHBondContact O-N 3.35Å; V118-L120 PolarHBondContact O-N 3.46Å; V118-L120 VanDerWaalsContact O-N 3.13Å; V118-A121 WeakPolarHBondContact O-CA 3.36Å; V118-A121 WeakPolarHBondContact O-CB 3.02Å; V118-A121 PolarHBondContact O-N 3.14Å; V118-E122 PolarHBondContact O-N 3.03Å; V118-W139 HydrophobicContact CG1-CZ2 3.54Å; V118-W139 WeakPolarHBondContact O-CZ2 3.36Å; V118-F142 HydrophobicContact CG2-CE1 4.36Å |
| 119 | P | 96.9 | Very high | 95.7 | Very high | 67 Ų | 67 | 50.3 Ų | 50.3 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -57.4 | -31.7 | 177.6 | -27.8 | 35.5 | 0 | 0 | 0 | 114.5 | L115 E122 E123 | L115-P119 WeakPolarHBondContact O-CD 3.31Å; P119-E122 WeakPolarHBondContact O-CB 3.5Å; P119-E122 PolarHBondContact O-N 3.47Å; P119-E123 PolarHBondContact O-N 3.43Å |
| 120 | L | 97.8 | Very high | 94.7 | Very high | 84 Ų | 84 | 58.4 Ų | 58.4 | 44% | 0.44 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -68.7 | -38.5 | 175.7 | -56.4 | 177.5 | 0 | 0 | 0 | 111.3 | L67 I71 A117 V118 E122 E123 Y124 | L67-L120 HydrophobicContact CD2-CD1 4.25Å; I71-L120 HydrophobicContact CD1-CB 3.74Å; I71-L120 HydrophobicContact CD1-CD1 3.98Å; A117-L120 WeakPolarHBondContact O-CB 3.45Å; A117-L120 PolarHBondContact O-N 3.08Å; V118-L120 PolarHBondContact O-N 3.46Å; V118-L120 VanDerWaalsContact O-N 3.13Å; L120-E122 VanDerWaalsContact C-N 3.32Å; L120-E123 PolarHBondContact O-N 2.87Å; L120-Y124 PolarHBondContact O-N 3.27Å |
| 121 | A | 97.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.4 | -35.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I71 V75 L89 L92 A117 V118 Y124 C125 W139 | I71-A121 HydrophobicContact CG2-CB 3.73Å; V75-A121 HydrophobicContact CG2-CB 4.16Å; L89-A121 HydrophobicContact CD2-CB 4.38Å; L92-A121 HydrophobicContact CD2-CB 3.55Å; A117-A121 PolarHBondContact O-N 2.9Å; V118-A121 WeakPolarHBondContact O-CA 3.36Å; V118-A121 WeakPolarHBondContact O-CB 3.02Å; V118-A121 PolarHBondContact O-N 3.14Å; A121-Y124 PolarHBondContact O-N 3.22Å; A121-C125 WeakPolarHBondContact O-CB 3.42Å; A121-C125 PolarHBondContact O-N 3.38Å; A121-C125 PolarHBondContact O-SG 2.81Å; A121-C125 VanDerWaalsContact O-SG 3.32Å; A121-W139 HydrophobicContact CB-CH2 3.92Å; A121-W139 HydrophobicContact CB-CZ2 4.33Å |
| 122 | E | 95.3 | Very high | 92.6 | Very high | 85 Ų | 85 | 65.5 Ų | 65.5 | 40% | 0.397 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.7 | -45.1 | 175.5 | -161.4 | -177.9 | 170.7 | 0 | 0 | 110.9 | V118 P119 L120 Y124 C125 R126 W139 | V118-E122 PolarHBondContact O-N 3.03Å; P119-E122 WeakPolarHBondContact O-CB 3.5Å; P119-E122 PolarHBondContact O-N 3.47Å; L120-E122 VanDerWaalsContact C-N 3.32Å; E122-Y124 VanDerWaalsContact C-N 3.32Å; E122-Y124 PolarHBondContact O-N 3.26Å; E122-C125 WeakPolarHBondContact O-CB 3.25Å; E122-C125 PolarHBondContact O-N 3.1Å; E122-R126 WeakPolarHBondContact O-CB 3.25Å; E122-R126 PolarHBondContact O-N 3.28Å; E122-W139 HydrophobicContact CB-CH2 3.83Å; E122-W139 HydrophobicContact CB-CZ2 3.39Å; E122-W139 HydrophobicContact CG-CD2 4.26Å; E122-W139 HydrophobicContact CG-CH2 4.32Å; E122-W139 HydrophobicContact CG-CZ2 3.95Å; E122-W139 VanDerWaalsContact N-CH2 3.26Å |
| 123 | E | 95.3 | Very high | 91.8 | Very high | 84 Ų | 84 | 68.6 Ų | 68.6 | 39% | 0.393 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.9 | -42.4 | 176.6 | -170 | -174.3 | 162.4 | 0 | 0 | 111.7 | P119 L120 R126 K127 | P119-E123 PolarHBondContact O-N 3.43Å; L120-E123 PolarHBondContact O-N 2.87Å; E123-R126 PolarHBondContact O-N 3.16Å; E123-K127 WeakPolarHBondContact O-CG 3.21Å; E123-K127 PolarHBondContact O-N 3.25Å; E123-K127 VanDerWaalsContact OE1-CE 3.26Å; E123-K127 WeakPolarHBondContact OE1-CE 3.37Å; E123-K127 IonicContact OE1-NZ 2.91Å; E123-K127 PolarHBondContact OE1-NZ 3.09Å |
| 124 | Y | 96.1 | Very high | 90.9 | Very high | 44 Ų | 44 | 72.5 Ų | 72.5 | 17% | 0.173 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 174.3 | 176.3 | -103.3 | 0 | 0 | 0 | 111.9 | E72 V75 E76 L120 A121 E122 R126 K127 T128 | E72-Y124 HydrophobicContact CB-CD2 4.45Å; E72-Y124 HydrophobicContact CB-CE1 4.42Å; E72-Y124 HydrophobicContact CB-CE2 3.93Å; E72-Y124 HydrophobicContact CG-CD2 3.64Å; E72-Y124 HydrophobicContact CG-CE2 3.44Å; E72-Y124 VanDerWaalsContact CG-CE2 3.44Å; E72-Y124 HydrophobicContact CG-CG 4.29Å; V75-Y124 HydrophobicContact CB-CD1 4.39Å; V75-Y124 HydrophobicContact CB-CE1 4.39Å; V75-Y124 HydrophobicContact CG1-CD1 4.1Å; V75-Y124 HydrophobicContact CG1-CE1 4.11Å; E76-Y124 HydrophobicContact CG-CE1 4.05Å; E76-Y124 WeakPolarHBondContact CG-OH 3.49Å; E76-Y124 WeakPolarHBondContact OE1-CE1 3.47Å; L120-Y124 PolarHBondContact O-N 3.27Å; A121-Y124 PolarHBondContact O-N 3.22Å; E122-Y124 VanDerWaalsContact C-N 3.32Å; E122-Y124 PolarHBondContact O-N 3.26Å; Y124-R126 VanDerWaalsContact C-N 3.34Å; Y124-R126 PolarHBondContact O-N 3.13Å; Y124-K127 PolarHBondContact O-N 3.42Å; Y124-K127 VanDerWaalsContact O-N 3.15Å; Y124-T128 HydrophobicContact CD2-CG2 4.27Å; Y124-T128 HydrophobicContact CE1-CG2 4.18Å; Y124-T128 HydrophobicContact CE2-CG2 3.79Å; Y124-T128 WeakPolarHBondContact O-CG2 3.23Å; Y124-T128 PolarHBondContact O-N 3.41Å; Y124-T128 VanDerWaalsContact O-N 3.16Å; Y124-T128 PolarHBondContact O-OG1 2.89Å |
| 125 | C | 94.1 | Very high | 90.2 | Very high | 7 Ų | 7 | 73.4 Ų | 73.4 | 5% | 0.047 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.6 | -43.2 | 176.4 | -77.3 | 0 | 0 | 0 | 0 | 111.7 | A121 E122 K127 T128 I129 W139 | A121-C125 WeakPolarHBondContact O-CB 3.42Å; A121-C125 PolarHBondContact O-N 3.38Å; A121-C125 PolarHBondContact O-SG 2.81Å; A121-C125 VanDerWaalsContact O-SG 3.32Å; E122-C125 WeakPolarHBondContact O-CB 3.25Å; E122-C125 PolarHBondContact O-N 3.1Å; C125-K127 PolarHBondContact O-N 3.49Å; C125-T128 PolarHBondContact O-N 3.43Å; C125-T128 PolarHBondContact O-OG1 2.87Å; C125-I129 HydrophobicContact CB-CD1 3.73Å; C125-I129 HydrophobicContact CB-CG1 4.33Å; C125-I129 WeakPolarHBondContact O-CB 3.04Å; C125-I129 VanDerWaalsContact O-CG1 3.23Å; C125-I129 WeakPolarHBondContact O-CG1 3.21Å; C125-I129 PolarHBondContact O-N 2.92Å; C125-W139 HydrophobicContact CB-CZ3 4.44Å |
| 126 | R | 91.4 | Very high | 89.5 | Confident | 170 Ų | 170 | 78.1 Ų | 78.1 | 64% | 0.642 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60 | -30.3 | 177.4 | -172.4 | 178.4 | 63.5 | 99.6 | -0.1 | 112.9 | E122 E123 Y124 | E122-R126 WeakPolarHBondContact O-CB 3.25Å; E122-R126 PolarHBondContact O-N 3.28Å; E123-R126 PolarHBondContact O-N 3.16Å; Y124-R126 VanDerWaalsContact C-N 3.34Å; Y124-R126 PolarHBondContact O-N 3.13Å |
| 127 | K | 91.8 | Very high | 88.7 | Confident | 140 Ų | 140 | 79.2 Ų | 79.2 | 61% | 0.609 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -79.9 | -27 | 176.7 | -67.8 | 170 | -174.3 | 166.4 | 0 | 112.9 | E123 Y124 C125 | E123-K127 WeakPolarHBondContact O-CG 3.21Å; E123-K127 PolarHBondContact O-N 3.25Å; E123-K127 VanDerWaalsContact OE1-CE 3.26Å; E123-K127 WeakPolarHBondContact OE1-CE 3.37Å; E123-K127 IonicContact OE1-NZ 2.91Å; E123-K127 PolarHBondContact OE1-NZ 3.09Å; Y124-K127 PolarHBondContact O-N 3.42Å; Y124-K127 VanDerWaalsContact O-N 3.15Å; C125-K127 PolarHBondContact O-N 3.49Å |
| 128 | T | 89 | Confident | 88.1 | Confident | 50 Ų | 50 | 81.2 Ų | 81.2 | 31% | 0.307 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -109.5 | -15.5 | -170.7 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | R79 Y124 C125 | R79-T128 PolarHBondContact NH1-OG1 2.93Å; Y124-T128 HydrophobicContact CD2-CG2 4.27Å; Y124-T128 HydrophobicContact CE1-CG2 4.18Å; Y124-T128 HydrophobicContact CE2-CG2 3.79Å; Y124-T128 WeakPolarHBondContact O-CG2 3.23Å; Y124-T128 PolarHBondContact O-N 3.41Å; Y124-T128 VanDerWaalsContact O-N 3.16Å; Y124-T128 PolarHBondContact O-OG1 2.89Å; C125-T128 PolarHBondContact O-N 3.43Å; C125-T128 PolarHBondContact O-OG1 2.87Å |
| 129 | I | 86.9 | Confident | 87.8 | Confident | 16 Ų | 16 | 81.8 Ų | 81.8 | 8% | 0.082 | 39% | 0.389 | C | S | . | . | trans | -107.7 | 123.5 | -177.8 | -55.5 | -177.7 | 0 | 0 | 0 | 109.6 | C125 H131 Y135 | C125-I129 HydrophobicContact CB-CD1 3.73Å; C125-I129 HydrophobicContact CB-CG1 4.33Å; C125-I129 WeakPolarHBondContact O-CB 3.04Å; C125-I129 VanDerWaalsContact O-CG1 3.23Å; C125-I129 WeakPolarHBondContact O-CG1 3.21Å; C125-I129 PolarHBondContact O-N 2.92Å; I129-H131 WeakPolarHBondContact CG2-O 3.43Å; I129-Y135 HydrophobicContact CD1-CD1 3.7Å; I129-Y135 HydrophobicContact CD1-CE1 3.54Å; I129-Y135 HydrophobicContact CD1-CE2 4.47Å; I129-Y135 HydrophobicContact CD1-CG 4.25Å; I129-Y135 HydrophobicContact CG2-CD2 4.01Å; I129-Y135 HydrophobicContact CG2-CE2 3.67Å | ||
| 130 | R | 76.6 | Confident | 87.6 | Confident | 233 Ų | 233 | 85.1 Ų | 85.1 | 88% | 0.879 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -77.7 | -30.8 | -177.6 | -65.1 | -176.7 | -178.7 | -176.2 | -0.9 | 114 | ||
| 131 | H | 76 | Confident | 87.4 | Confident | 142 Ų | 142 | 87 Ų | 87 | 66% | 0.657 | 40% | 0.399 | S | S | * | . | trans | -121.3 | 99.4 | -178 | -59.3 | -64.3 | 0 | 0 | 0 | 109.3 | I129 Y135 | I129-H131 WeakPolarHBondContact CG2-O 3.43Å; H131-Y135 WeakPolarHBondContact O-CD2 3.48Å; H131-Y135 WeakPolarHBondContact O-CE2 3.42Å | ||
| 132 | T | 76.1 | Confident | 87.3 | Confident | 57 Ų | 57 | 87.7 Ų | 87.7 | 35% | 0.35 | 40% | 0.402 | S | S | . | . | trans | -91.8 | -14.7 | -170.8 | 50.7 | 0 | 0 | 0 | 0 | 114.4 | E134 Y135 Q136 | T132-E134 PolarHBondContact O-N 2.9Å; T132-Y135 PolarHBondContact O-N 3.11Å; T132-Q136 PolarHBondContact O-N 3.3Å | ||
| 133 | A | 79.2 | Confident | 87.3 | Confident | 77 Ų | 77 | 86 Ų | 86 | 64% | 0.636 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.6 | -46.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y135 Q136 | A133-Y135 PolarHBondContact O-N 2.99Å; A133-Q136 PolarHBondContact O-N 3.34Å |
| 134 | E | 79.8 | Confident | 87.3 | Confident | 106 Ų | 106 | 82.6 Ų | 82.6 | 50% | 0.495 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.1 | -24.4 | 178.4 | -61.6 | 170.9 | 148.7 | 0 | 0 | 112.7 | F41 T132 H138 | F41-E134 HydrophobicContact CD1-CB 4.18Å; F41-E134 HydrophobicContact CD2-CB 4.3Å; F41-E134 HydrophobicContact CE1-CB 4.2Å; F41-E134 HydrophobicContact CE2-CB 4.3Å; F41-E134 HydrophobicContact CG-CB 4.25Å; F41-E134 HydrophobicContact CZ-CB 4.26Å; T132-E134 PolarHBondContact O-N 2.9Å; E134-H138 PolarHBondContact O-CD2 3.38Å |
| 135 | Y | 84.2 | Confident | 87.4 | Confident | 19 Ų | 19 | 86.1 Ų | 86.1 | 8% | 0.075 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -86.7 | -28.9 | -176.8 | -67.2 | -106.6 | 0 | 0 | 0 | 112 | F41 N83 P85 F88 I129 H131 T132 A133 W139 | F41-Y135 HydrophobicContact CB-CE2 4.17Å; F41-Y135 HydrophobicContact CD2-CD2 4.29Å; F41-Y135 HydrophobicContact CD2-CE1 4.1Å; F41-Y135 AromaticContact CD2-CE2 3.82Å; F41-Y135 HydrophobicContact CD2-CE2 3.82Å; F41-Y135 AromaticContact CD2-CZ 3.73Å; F41-Y135 HydrophobicContact CG-CE2 4.33Å; N83-Y135 VanDerWaalsContact CG-OH 3.29Å; N83-Y135 PolarHBondContact ND2-OH 3.15Å; N83-Y135 PolarHBondContact OD1-OH 3.11Å; N83-Y135 VanDerWaalsContact OD1-OH 3.13Å; P85-Y135 HydrophobicContact CG-CD1 3.91Å; P85-Y135 HydrophobicContact CG-CG 4.35Å; P85-Y135 WeakPolarHBondContact CG-O 3.27Å; F88-Y135 AromaticContact CE1-CD1 3.96Å; F88-Y135 HydrophobicContact CE1-CD1 3.96Å; F88-Y135 AromaticContact CE1-CE1 3.94Å; F88-Y135 HydrophobicContact CE1-CE1 3.94Å; F88-Y135 HydrophobicContact CZ-CD1 4.16Å; I129-Y135 HydrophobicContact CD1-CD1 3.7Å; I129-Y135 HydrophobicContact CD1-CE1 3.54Å; I129-Y135 HydrophobicContact CD1-CE2 4.47Å; I129-Y135 HydrophobicContact CD1-CG 4.25Å; I129-Y135 HydrophobicContact CG2-CD2 4.01Å; I129-Y135 HydrophobicContact CG2-CE2 3.67Å; H131-Y135 WeakPolarHBondContact O-CD2 3.48Å; H131-Y135 WeakPolarHBondContact O-CE2 3.42Å; T132-Y135 PolarHBondContact O-N 3.11Å; A133-Y135 PolarHBondContact O-N 2.99Å; Y135-W139 VanDerWaalsContact O-CB 3.31Å; Y135-W139 WeakPolarHBondContact O-CB 3.43Å; Y135-W139 PolarHBondContact O-N 2.71Å |
| 136 | Q | 82.6 | Confident | 87.5 | Confident | 123 Ų | 123 | 88.4 Ų | 88.4 | 58% | 0.575 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -65.4 | -45 | -172 | -78 | 179.6 | -20.6 | 0 | 0 | 113.2 | T132 A133 H138 W139 F140 | T132-Q136 PolarHBondContact O-N 3.3Å; A133-Q136 PolarHBondContact O-N 3.34Å; Q136-H138 PolarHBondContact O-N 3.47Å; Q136-W139 WeakPolarHBondContact O-CB 3.35Å; Q136-W139 PolarHBondContact O-N 3.43Å; Q136-F140 PolarHBondContact O-N 3.07Å |
| 137 | E | 80.2 | Confident | 87.8 | Confident | 153 Ų | 153 | 83.9 Ų | 83.9 | 72% | 0.715 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -62.7 | -46 | -179.5 | -176.4 | 178.3 | 174.7 | 0 | 0 | 111.7 | W139 F140 Y141 | E137-W139 VanDerWaalsContact C-N 3.31Å; E137-W139 PolarHBondContact O-N 3.23Å; E137-F140 PolarHBondContact O-N 3.43Å; E137-Y141 PolarHBondContact O-N 3.44Å |
| 138 | H | 85.6 | Confident | 88.1 | Confident | 47 Ų | 47 | 83.4 Ų | 83.4 | 22% | 0.218 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -74.6 | -21.9 | -178.5 | -60.8 | -51.1 | 0 | 0 | 0 | 113.5 | F41 H84 P85 E134 Q136 | F41-H138 AromaticContact CZ-CD2 3.62Å; F41-H138 AromaticContact CZ-NE2 3.8Å; H84-H138 VanDerWaalsContact CE1-CB 3.45Å; H84-H138 WeakPolarHBondContact CE1-CB 3.44Å; H84-H138 AromaticContact CE1-CD2 3.92Å; H84-H138 AromaticContact CE1-CG 3.39Å; H84-H138 AromaticContact CE1-ND1 3.66Å; H84-H138 AromaticContact NE2-CD2 3.44Å; H84-H138 PolarHBondContact NE2-CD2 3.33Å; H84-H138 AromaticContact NE2-CE1 3.65Å; H84-H138 AromaticContact NE2-CG 3.32Å; H84-H138 VanDerWaalsContact NE2-CG 3.32Å; H84-H138 AromaticContact NE2-ND1 3.46Å; H84-H138 PolarHBondContact NE2-ND1 3.05Å; H84-H138 AromaticContact NE2-NE2 3.65Å; P85-H138 HydrophobicContact CB-CB 4.02Å; P85-H138 HydrophobicContact CG-CB 3.8Å; E134-H138 PolarHBondContact O-CD2 3.38Å; Q136-H138 PolarHBondContact O-N 3.47Å |
| 139 | W | 92.6 | Very high | 88.5 | Confident | 14 Ų | 14 | 85.3 Ų | 85.3 | 5% | 0.053 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62.7 | -50.1 | 172.7 | -165.8 | -83.3 | 0 | 0 | 0 | 111 | P85 F88 L89 V118 A121 E122 C125 Y135 Q136 E137 Y141 F142 E143 | P85-W139 HydrophobicContact CB-CB 4.4Å; P85-W139 HydrophobicContact CB-CE3 4.12Å; P85-W139 HydrophobicContact CG-CE3 4.42Å; F88-W139 HydrophobicContact CE2-CH2 4.46Å; F88-W139 AromaticContact CE2-CZ3 3.75Å; F88-W139 HydrophobicContact CE2-CZ3 3.75Å; F88-W139 HydrophobicContact CZ-CE3 4.4Å; F88-W139 AromaticContact CZ-CZ3 3.93Å; F88-W139 HydrophobicContact CZ-CZ3 3.93Å; L89-W139 HydrophobicContact CD1-CD2 3.99Å; L89-W139 HydrophobicContact CD1-CE3 3.99Å; L89-W139 HydrophobicContact CD1-CH2 4.23Å; L89-W139 HydrophobicContact CD1-CZ2 4.21Å; L89-W139 HydrophobicContact CD1-CZ3 4.14Å; L89-W139 HydrophobicContact CD2-CH2 3.64Å; L89-W139 HydrophobicContact CD2-CZ2 4Å; L89-W139 HydrophobicContact CD2-CZ3 4.05Å; L89-W139 HydrophobicContact CG-CH2 4.38Å; L89-W139 HydrophobicContact CG-CZ3 4.35Å; V118-W139 HydrophobicContact CG1-CZ2 3.54Å; V118-W139 WeakPolarHBondContact O-CZ2 3.36Å; A121-W139 HydrophobicContact CB-CH2 3.92Å; A121-W139 HydrophobicContact CB-CZ2 4.33Å; E122-W139 HydrophobicContact CB-CH2 3.83Å; E122-W139 HydrophobicContact CB-CZ2 3.39Å; E122-W139 HydrophobicContact CG-CD2 4.26Å; E122-W139 HydrophobicContact CG-CH2 4.32Å; E122-W139 HydrophobicContact CG-CZ2 3.95Å; E122-W139 VanDerWaalsContact N-CH2 3.26Å; C125-W139 HydrophobicContact CB-CZ3 4.44Å; Y135-W139 VanDerWaalsContact O-CB 3.31Å; Y135-W139 WeakPolarHBondContact O-CB 3.43Å; Y135-W139 PolarHBondContact O-N 2.71Å; Q136-W139 WeakPolarHBondContact O-CB 3.35Å; Q136-W139 PolarHBondContact O-N 3.43Å; E137-W139 VanDerWaalsContact C-N 3.31Å; E137-W139 PolarHBondContact O-N 3.23Å; W139-Y141 PolarHBondContact O-N 2.91Å; W139-F142 PolarHBondContact O-N 3.38Å; W139-F142 VanDerWaalsContact O-N 3.16Å; W139-E143 PolarHBondContact O-N 3.32Å |
| 140 | F | 91.7 | Very high | 89 | Confident | 137 Ų | 137 | 84.8 Ų | 84.8 | 60% | 0.601 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -59.1 | -36.9 | 179.2 | -179 | -103.8 | 0 | 0 | 0 | 112 | Q136 E137 F142 E143 A144 | Q136-F140 PolarHBondContact O-N 3.07Å; E137-F140 PolarHBondContact O-N 3.43Å; F140-F142 PolarHBondContact O-N 2.98Å; F140-E143 PolarHBondContact O-N 3.29Å; F140-A144 HydrophobicContact CE1-CB 4.2Å; F140-A144 HydrophobicContact CZ-CB 4.24Å; F140-A144 VanDerWaalsContact O-CB 3.25Å; F140-A144 WeakPolarHBondContact O-CB 3.29Å; F140-A144 PolarHBondContact O-N 3.28Å |
| 141 | Y | 93.4 | Very high | 90 | Very high | 124 Ų | 124 | 78.5 Ų | 78.5 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -56.7 | -48.2 | 176.3 | 178.8 | -90.3 | 0 | 0 | 0 | 112.7 | T86 E137 W139 K145 | T86-Y141 HydrophobicContact CG2-CD1 4.19Å; T86-Y141 HydrophobicContact CG2-CE1 4.14Å; E137-Y141 PolarHBondContact O-N 3.44Å; W139-Y141 PolarHBondContact O-N 2.91Å; Y141-K145 HydrophobicContact CD1-CG 4.38Å; Y141-K145 HydrophobicContact CE1-CG 3.98Å; Y141-K145 HydrophobicContact CE2-CG 4.27Å; Y141-K145 WeakPolarHBondContact O-CB 3.43Å; Y141-K145 VanDerWaalsContact O-CG 3.31Å; Y141-K145 WeakPolarHBondContact O-CG 3.44Å; Y141-K145 PolarHBondContact O-N 3.36Å; Y141-K145 VanDerWaalsContact O-N 3.09Å; Y141-K145 WeakPolarHBondContact OH-CE 3.47Å |
| 142 | F | 95.3 | Very high | 90.9 | Very high | 14 Ų | 14 | 76.9 Ų | 76.9 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.4 | -47.1 | -179.7 | 179.7 | -87 | 0 | 0 | 0 | 111.3 | L89 C93 M114 V118 W139 F140 K145 W146 | L89-F142 HydrophobicContact CB-CD1 3.86Å; L89-F142 HydrophobicContact CB-CD2 3.76Å; L89-F142 HydrophobicContact CB-CE1 3.81Å; L89-F142 HydrophobicContact CB-CE2 3.7Å; L89-F142 HydrophobicContact CB-CG 3.84Å; L89-F142 HydrophobicContact CB-CZ 3.73Å; L89-F142 HydrophobicContact CD1-CB 3.91Å; L89-F142 HydrophobicContact CD1-CD1 3.73Å; L89-F142 HydrophobicContact CD1-CE1 4.39Å; L89-F142 HydrophobicContact CD1-CG 3.8Å; L89-F142 HydrophobicContact CG-CD1 4.4Å; L89-F142 HydrophobicContact CG-CG 4.49Å; C93-F142 HydrophobicContact CB-CZ 4.16Å; M114-F142 HydrophobicContact CE-CE1 4.21Å; M114-F142 HydrophobicContact CE-CZ 4.49Å; M114-F142 HydrophobicContact SD-CE1 3.91Å; M114-F142 HydrophobicContact SD-CZ 4.33Å; V118-F142 HydrophobicContact CG2-CE1 4.36Å; W139-F142 PolarHBondContact O-N 3.38Å; W139-F142 VanDerWaalsContact O-N 3.16Å; F140-F142 PolarHBondContact O-N 2.98Å; F142-K145 PolarHBondContact O-N 3.1Å; F142-W146 AromaticContact CD1-CD1 3.85Å; F142-W146 AromaticContact CE1-CD1 3.42Å; F142-W146 VanDerWaalsContact CE1-CD1 3.42Å; F142-W146 HydrophobicContact CE1-CG 4.45Å; F142-W146 AromaticContact CE1-NE1 3.69Å; F142-W146 AromaticContact CE2-CD1 3.85Å; F142-W146 AromaticContact CE2-NE1 3.53Å; F142-W146 AromaticContact CZ-CD1 3.43Å; F142-W146 VanDerWaalsContact CZ-CD1 3.43Å; F142-W146 AromaticContact CZ-NE1 3.17Å; F142-W146 PolarHBondContact O-N 3.39Å |
| 143 | E | 95.6 | Very high | 91.9 | Very high | 50 Ų | 50 | 74.4 Ų | 74.4 | 23% | 0.234 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.1 | -49.5 | -179.5 | -177.3 | 173.5 | -171.4 | 0 | 0 | 111.7 | L115 W139 F140 K145 W146 Q147 | L115-E143 HydrophobicContact CD2-CG 4.15Å; W139-E143 PolarHBondContact O-N 3.32Å; F140-E143 PolarHBondContact O-N 3.29Å; E143-K145 PolarHBondContact O-N 2.97Å; E143-W146 PolarHBondContact O-N 3.22Å; E143-Q147 HydrophobicContact CG-CG 4.35Å; E143-Q147 WeakPolarHBondContact O-CG 3.33Å; E143-Q147 PolarHBondContact O-N 2.77Å; E143-Q147 PolarHBondContact OE1-NE2 3.13Å; E143-Q147 VanDerWaalsContact OE1-NE2 3.1Å |
| 144 | A | 96.3 | Very high | 92.7 | Very high | 12 Ų | 12 | 75.9 Ų | 75.9 | 10% | 0.099 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.5 | -43.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F140 W146 Q147 F148 | F140-A144 HydrophobicContact CE1-CB 4.2Å; F140-A144 HydrophobicContact CZ-CB 4.24Å; F140-A144 VanDerWaalsContact O-CB 3.25Å; F140-A144 WeakPolarHBondContact O-CB 3.29Å; F140-A144 PolarHBondContact O-N 3.28Å; A144-W146 VanDerWaalsContact C-N 3.31Å; A144-W146 PolarHBondContact O-N 3.38Å; A144-Q147 PolarHBondContact O-N 3.12Å; A144-F148 HydrophobicContact CB-CD2 4.47Å; A144-F148 HydrophobicContact CB-CE2 4.16Å; A144-F148 WeakPolarHBondContact O-CD2 3.46Å; A144-F148 WeakPolarHBondContact O-CG 3.08Å; A144-F148 PolarHBondContact O-N 3.17Å |
| 145 | K | 96.4 | Very high | 93.6 | Very high | 117 Ų | 117 | 71.5 Ų | 71.5 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.9 | -40.9 | 177.2 | -75.8 | -66.8 | -175.7 | -178.9 | 0 | 112.3 | Y141 F142 E143 Y149 | Y141-K145 HydrophobicContact CD1-CG 4.38Å; Y141-K145 HydrophobicContact CE1-CG 3.98Å; Y141-K145 HydrophobicContact CE2-CG 4.27Å; Y141-K145 WeakPolarHBondContact O-CB 3.43Å; Y141-K145 VanDerWaalsContact O-CG 3.31Å; Y141-K145 WeakPolarHBondContact O-CG 3.44Å; Y141-K145 PolarHBondContact O-N 3.36Å; Y141-K145 VanDerWaalsContact O-N 3.09Å; Y141-K145 WeakPolarHBondContact OH-CE 3.47Å; F142-K145 PolarHBondContact O-N 3.1Å; E143-K145 PolarHBondContact O-N 2.97Å; K145-Y149 WeakPolarHBondContact O-CB 3.43Å; K145-Y149 PolarHBondContact O-N 3.29Å; K145-Y149 VanDerWaalsContact O-N 3.09Å |
| 146 | W | 97.8 | Very high | 94.1 | Very high | 55 Ų | 55 | 72.6 Ų | 72.6 | 21% | 0.208 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -69.4 | -42.8 | 175.4 | -88.4 | 104.1 | 0 | 0 | 0 | 112.6 | C93 F97 M114 L115 F142 E143 A144 F148 Y149 L150 | C93-W146 WeakPolarHBondContact SG-CZ2 3.44Å; F97-W146 AromaticContact CE2-CH2 3.75Å; F97-W146 HydrophobicContact CE2-CH2 3.75Å; F97-W146 HydrophobicContact CE2-CZ2 4.49Å; F97-W146 HydrophobicContact CE2-CZ3 4.44Å; F97-W146 AromaticContact CZ-CH2 3.62Å; F97-W146 HydrophobicContact CZ-CH2 3.62Å; F97-W146 HydrophobicContact CZ-CZ2 4.34Å; F97-W146 AromaticContact CZ-CZ3 3.98Å; F97-W146 HydrophobicContact CZ-CZ3 3.98Å; M114-W146 HydrophobicContact CE-CB 4.06Å; M114-W146 HydrophobicContact CE-CD2 3.34Å; M114-W146 HydrophobicContact CE-CE3 3.83Å; M114-W146 HydrophobicContact CE-CG 3.43Å; M114-W146 VanDerWaalsContact CE-CG 3.43Å; M114-W146 HydrophobicContact CE-CZ2 4.26Å; M114-W146 HydrophobicContact CE-CZ3 4.46Å; L115-W146 HydrophobicContact CD1-CB 4.38Å; L115-W146 HydrophobicContact CD2-CB 3.83Å; L115-W146 HydrophobicContact CG-CB 4.33Å; F142-W146 AromaticContact CD1-CD1 3.85Å; F142-W146 AromaticContact CE1-CD1 3.42Å; F142-W146 VanDerWaalsContact CE1-CD1 3.42Å; F142-W146 HydrophobicContact CE1-CG 4.45Å; F142-W146 AromaticContact CE1-NE1 3.69Å; F142-W146 AromaticContact CE2-CD1 3.85Å; F142-W146 AromaticContact CE2-NE1 3.53Å; F142-W146 AromaticContact CZ-CD1 3.43Å; F142-W146 VanDerWaalsContact CZ-CD1 3.43Å; F142-W146 AromaticContact CZ-NE1 3.17Å; F142-W146 PolarHBondContact O-N 3.39Å; E143-W146 PolarHBondContact O-N 3.22Å; A144-W146 VanDerWaalsContact C-N 3.31Å; A144-W146 PolarHBondContact O-N 3.38Å; W146-F148 PolarHBondContact O-N 3.01Å; W146-Y149 AromaticContact CE3-CD1 3.94Å; W146-Y149 HydrophobicContact CE3-CD1 3.94Å; W146-Y149 AromaticContact CZ3-CD1 3.86Å; W146-Y149 HydrophobicContact CZ3-CD1 3.86Å; W146-Y149 HydrophobicContact CZ3-CE1 4.02Å; W146-Y149 PolarHBondContact O-N 3.42Å; W146-L150 VanDerWaalsContact O-CG 3.28Å; W146-L150 WeakPolarHBondContact O-CG 3.31Å; W146-L150 PolarHBondContact O-N 3.16Å |
| 147 | Q | 97.9 | Very high | 94.6 | Very high | 76 Ų | 76 | 72.8 Ų | 72.8 | 36% | 0.355 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -57.6 | -49.7 | 175.9 | -72.9 | 174.1 | -7.2 | 0 | 0 | 111.1 | L115 E143 A144 Y149 L150 E151 | L115-Q147 HydrophobicContact CD1-CG 3.77Å; E143-Q147 HydrophobicContact CG-CG 4.35Å; E143-Q147 WeakPolarHBondContact O-CG 3.33Å; E143-Q147 PolarHBondContact O-N 2.77Å; E143-Q147 PolarHBondContact OE1-NE2 3.13Å; E143-Q147 VanDerWaalsContact OE1-NE2 3.1Å; A144-Q147 PolarHBondContact O-N 3.12Å; Q147-Y149 PolarHBondContact O-N 3.43Å; Q147-L150 PolarHBondContact O-N 3.35Å; Q147-E151 WeakPolarHBondContact O-CG 3.19Å; Q147-E151 PolarHBondContact O-N 2.98Å |
| 148 | F | 97.3 | Very high | 95 | Very high | 130 Ų | 130 | 70.1 Ų | 70.1 | 57% | 0.57 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -58.6 | -45.5 | 176.7 | -71 | -51.2 | 0 | 0 | 0 | 112.4 | A144 W146 L150 E151 E152 | A144-F148 HydrophobicContact CB-CD2 4.47Å; A144-F148 HydrophobicContact CB-CE2 4.16Å; A144-F148 WeakPolarHBondContact O-CD2 3.46Å; A144-F148 WeakPolarHBondContact O-CG 3.08Å; A144-F148 PolarHBondContact O-N 3.17Å; W146-F148 PolarHBondContact O-N 3.01Å; F148-L150 VanDerWaalsContact C-N 3.34Å; F148-L150 PolarHBondContact O-N 3.43Å; F148-E151 PolarHBondContact O-N 3.48Å; F148-E152 VanDerWaalsContact O-CB 3.3Å; F148-E152 WeakPolarHBondContact O-CB 3.44Å; F148-E152 PolarHBondContact O-N 3.48Å |
| 149 | Y | 96.9 | Very high | 95.2 | Very high | 90 Ų | 90 | 72.5 Ų | 72.5 | 35% | 0.353 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 177.1 | 169.4 | -101.5 | 0 | 0 | 0 | 112.4 | K145 W146 Q147 E152 R153 | K145-Y149 WeakPolarHBondContact O-CB 3.43Å; K145-Y149 PolarHBondContact O-N 3.29Å; K145-Y149 VanDerWaalsContact O-N 3.09Å; W146-Y149 AromaticContact CE3-CD1 3.94Å; W146-Y149 HydrophobicContact CE3-CD1 3.94Å; W146-Y149 AromaticContact CZ3-CD1 3.86Å; W146-Y149 HydrophobicContact CZ3-CD1 3.86Å; W146-Y149 HydrophobicContact CZ3-CE1 4.02Å; W146-Y149 PolarHBondContact O-N 3.42Å; Q147-Y149 PolarHBondContact O-N 3.43Å; Y149-E152 PolarHBondContact O-N 3.27Å; Y149-R153 HydrophobicContact CD2-CG 4.12Å; Y149-R153 HydrophobicContact CE1-CG 4.41Å; Y149-R153 HydrophobicContact CE2-CG 3.66Å; Y149-R153 WeakPolarHBondContact O-CB 3.48Å; Y149-R153 WeakPolarHBondContact O-CG 3.45Å; Y149-R153 PolarHBondContact O-N 2.84Å |
| 150 | L | 97.8 | Very high | 95 | Very high | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.1 | -37.2 | 179.3 | -63.1 | 176.5 | 0 | 0 | 0 | 112 | R112 L115 W146 Q147 F148 K154 I155 S156 | R112-L150 HydrophobicContact CG-CD1 4.3Å; L115-L150 HydrophobicContact CD1-CD1 3.61Å; L115-L150 HydrophobicContact CG-CD1 4.42Å; W146-L150 VanDerWaalsContact O-CG 3.28Å; W146-L150 WeakPolarHBondContact O-CG 3.31Å; W146-L150 PolarHBondContact O-N 3.16Å; Q147-L150 PolarHBondContact O-N 3.35Å; F148-L150 VanDerWaalsContact C-N 3.34Å; F148-L150 PolarHBondContact O-N 3.43Å; L150-K154 PolarHBondContact O-N 3.19Å; L150-K154 VanDerWaalsContact O-N 3.1Å; L150-I155 HydrophobicContact CB-CG1 4.31Å; L150-I155 HydrophobicContact CD2-CD1 3.7Å; L150-I155 HydrophobicContact CD2-CG1 3.76Å; L150-I155 PolarHBondContact O-N 3.45Å; L150-S156 PolarHBondContact O-N 3.11Å |
| 151 | E | 97.1 | Very high | 94.9 | Very high | 102 Ų | 102 | 72.5 Ų | 72.5 | 48% | 0.477 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67.5 | -42.5 | 174.7 | -72.2 | -180 | 173.9 | 0 | 0 | 112.6 | Q147 F148 R153 K154 | Q147-E151 WeakPolarHBondContact O-CG 3.19Å; Q147-E151 PolarHBondContact O-N 2.98Å; F148-E151 PolarHBondContact O-N 3.48Å; E151-R153 VanDerWaalsContact C-N 3.3Å; E151-R153 PolarHBondContact O-N 2.9Å; E151-K154 WeakPolarHBondContact O-CD 3.39Å; E151-K154 PolarHBondContact O-N 3.44Å; E151-K154 VanDerWaalsContact O-N 3.14Å |
| 152 | E | 95.7 | Very high | 95 | Very high | 107 Ų | 107 | 74.5 Ų | 74.5 | 50% | 0.5 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 176.4 | -167.4 | -158.5 | 149.1 | 0 | 0 | 110.6 | F148 Y149 K154 | F148-E152 VanDerWaalsContact O-CB 3.3Å; F148-E152 WeakPolarHBondContact O-CB 3.44Å; F148-E152 PolarHBondContact O-N 3.48Å; Y149-E152 PolarHBondContact O-N 3.27Å; E152-K154 VanDerWaalsContact C-N 3.28Å; E152-K154 PolarHBondContact O-N 3.46Å |
| 153 | R | 96.9 | Very high | 95 | Very high | 6 Ų | 6 | 75.6 Ų | 75.6 | 2% | 0.023 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -2 | 177.6 | -66.8 | -68.2 | 164.5 | -80 | -15.5 | 114 | Y149 E151 I155 A163 I164 Y169 | Y149-R153 HydrophobicContact CD2-CG 4.12Å; Y149-R153 HydrophobicContact CE1-CG 4.41Å; Y149-R153 HydrophobicContact CE2-CG 3.66Å; Y149-R153 WeakPolarHBondContact O-CB 3.48Å; Y149-R153 WeakPolarHBondContact O-CG 3.45Å; Y149-R153 PolarHBondContact O-N 2.84Å; E151-R153 VanDerWaalsContact C-N 3.3Å; E151-R153 PolarHBondContact O-N 2.9Å; R153-I155 HydrophobicContact CB-CD1 4Å; R153-I155 HydrophobicContact CB-CG1 3.81Å; R153-A163 HydrophobicContact CB-CB 4.45Å; R153-A163 CarbonylContact O-C 3.59Å; R153-A163 WeakPolarHBondContact O-CA 3.49Å; R153-I164 WeakPolarHBondContact CD-O 3.43Å; R153-I164 PolarHBondContact O-N 3.43Å; R153-Y169 PolarHBondContact NH2-OH 2.86Å |
| 154 | K | 96.8 | Very high | 95 | Very high | 108 Ų | 108 | 78 Ų | 78 | 47% | 0.47 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.1 | 50.2 | -176.1 | -55.2 | -63.5 | 177.7 | -160.1 | 0 | 111.9 | L150 E151 E152 E160 I164 | L150-K154 PolarHBondContact O-N 3.19Å; L150-K154 VanDerWaalsContact O-N 3.1Å; E151-K154 WeakPolarHBondContact O-CD 3.39Å; E151-K154 PolarHBondContact O-N 3.44Å; E151-K154 VanDerWaalsContact O-N 3.14Å; E152-K154 VanDerWaalsContact C-N 3.28Å; E152-K154 PolarHBondContact O-N 3.46Å; K154-E160 WeakPolarHBondContact O-CB 3.23Å; K154-I164 HydrophobicContact CB-CD1 3.99Å; K154-I164 HydrophobicContact CB-CG1 4.44Å; K154-I164 HydrophobicContact CG-CB 4.34Å; K154-I164 HydrophobicContact CG-CD1 3.85Å |
| 155 | I | 97.2 | Very high | 94.9 | Very high | 13 Ų | 13 | 82 Ų | 82 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | trans | -138.5 | 26.4 | 177.3 | 59.6 | 172 | 0 | 0 | 0 | 111.3 | V108 R112 L150 R153 E160 A163 | V108-I155 HydrophobicContact CG2-CB 3.9Å; V108-I155 HydrophobicContact CG2-CG2 3.44Å; V108-I155 VanDerWaalsContact CG2-CG2 3.44Å; R112-I155 WeakPolarHBondContact CD-O 3.49Å; R112-I155 WeakPolarHBondContact CG-O 3.44Å; R112-I155 PolarHBondContact NH1-O 3.13Å; L150-I155 HydrophobicContact CB-CG1 4.31Å; L150-I155 HydrophobicContact CD2-CD1 3.7Å; L150-I155 HydrophobicContact CD2-CG1 3.76Å; L150-I155 PolarHBondContact O-N 3.45Å; R153-I155 HydrophobicContact CB-CD1 4Å; R153-I155 HydrophobicContact CB-CG1 3.81Å; I155-E160 WeakPolarHBondContact CA-OE2 3.26Å; I155-E160 PolarHBondContact N-OE2 3.46Å; I155-E160 VanDerWaalsContact N-OE2 3.12Å; I155-A163 HydrophobicContact CG2-CB 4.03Å | ||
| 156 | S | 95.9 | Very high | 94.7 | Very high | 42 Ų | 42 | 79.6 Ų | 79.6 | 29% | 0.294 | 39% | 0.393 | S | S | . | . | S | Bend | trans | -84.9 | -21.2 | 177.3 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | R112 L150 E160 | R112-S156 VanDerWaalsContact CD-C 3.49Å; R112-S156 WeakPolarHBondContact CD-O 3.47Å; L150-S156 PolarHBondContact O-N 3.11Å; S156-E160 PolarHBondContact N-OE2 2.71Å |
| 157 | K | 93.4 | Very high | 94.5 | Very high | 127 Ų | 127 | 85.7 Ų | 85.7 | 55% | 0.552 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -106.9 | 153.5 | -179.7 | -60.5 | 177.5 | -177.8 | 175.6 | 0 | 112.7 | R112 S159 E160 | R112-K157 VanDerWaalsContact CZ-O 3.25Å; R112-K157 PolarHBondContact NH1-O 3.12Å; K157-S159 PolarHBondContact O-N 3.2Å; K157-E160 HydrophobicContact CB-CG 4.08Å; K157-E160 PolarHBondContact N-OE2 2.79Å; K157-E160 WeakPolarHBondContact O-CB 3.22Å; K157-E160 PolarHBondContact O-N 3.15Å |
| 158 | D | 88.4 | Confident | 94.2 | Very high | 98 Ų | 98 | 86.1 Ų | 86.1 | 52% | 0.524 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -23 | 177.7 | -69.6 | -36.6 | 0 | 0 | 0 | 113.6 | R112 R116 E160 | R112-D158 IonicContact NE-OD1 2.71Å; R112-D158 PolarHBondContact NE-OD1 3.02Å; R112-D158 IonicContact NH2-OD1 3.83Å; R116-D158 IonicContact CZ-OD1 2.96Å; R116-D158 IonicContact NH1-OD1 3.51Å; R116-D158 VanDerWaalsContact NH2-CG 3.32Å; R116-D158 IonicContact NH2-OD1 3.32Å; R116-D158 PolarHBondContact NH2-OD1 3.07Å; R116-D158 IonicContact NH2-OD2 3.68Å; R116-D158 PolarHBondContact NH2-OD2 3.16Å; D158-E160 PolarHBondContact O-N 3.41Å |
| 159 | S | 88.4 | Confident | 94 | Very high | 97 Ų | 97 | 83.7 Ų | 83.7 | 68% | 0.678 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -14.3 | 171.4 | 56 | 0 | 0 | 0 | 0 | 113.3 | K157 | K157-S159 PolarHBondContact O-N 3.2Š|
| 160 | E | 88.6 | Confident | 93.8 | Very high | 42 Ų | 42 | 82.5 Ų | 82.5 | 20% | 0.196 | 42% | 0.422 | C | S | . | . | trans | -98.6 | 111.3 | -174.4 | -67.5 | 171.8 | 165.8 | 0 | 0 | 111.2 | R112 K154 I155 S156 K157 D158 | R112-E160 PolarHBondContact NH1-O 3.25Å; K154-E160 WeakPolarHBondContact O-CB 3.23Å; I155-E160 WeakPolarHBondContact CA-OE2 3.26Å; I155-E160 PolarHBondContact N-OE2 3.46Å; I155-E160 VanDerWaalsContact N-OE2 3.12Å; S156-E160 PolarHBondContact N-OE2 2.71Å; K157-E160 HydrophobicContact CB-CG 4.08Å; K157-E160 PolarHBondContact N-OE2 2.79Å; K157-E160 WeakPolarHBondContact O-CB 3.22Å; K157-E160 PolarHBondContact O-N 3.15Å; D158-E160 PolarHBondContact O-N 3.41Å | ||
| 161 | N | 90.1 | Very high | 93.3 | Very high | 108 Ų | 108 | 84.5 Ų | 84.5 | 58% | 0.578 | 44% | 0.439 | S | S | * | . | trans | -117.3 | 5 | -170.2 | -67.7 | -47.5 | 0 | 0 | 0 | 114.4 | ||||
| 162 | K | 94.5 | Very high | 92.9 | Very high | 167 Ų | 167 | 86.7 Ų | 86.7 | 73% | 0.726 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -142.2 | 125.6 | 178.2 | -176.4 | 179.6 | 177.3 | -175.9 | 0 | 109.8 | ||
| 163 | A | 96 | Very high | 92.5 | Very high | 36 Ų | 36 | 85.6 Ų | 85.6 | 30% | 0.298 | 45% | 0.445 | S | S | . | . | trans | -69.4 | 138.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R153 I155 F165 | R153-A163 HydrophobicContact CB-CB 4.45Å; R153-A163 CarbonylContact O-C 3.59Å; R153-A163 WeakPolarHBondContact O-CA 3.49Å; I155-A163 HydrophobicContact CG2-CB 4.03Å; A163-F165 HydrophobicContact CB-CE2 3.86Å | ||
| 164 | I | 95.3 | Very high | 91.8 | Very high | 101 Ų | 101 | 91.4 Ų | 91.4 | 52% | 0.518 | 47% | 0.466 | S | S | . | . | trans | -107 | 130.3 | 175.2 | -67.2 | 169.4 | 0 | 0 | 0 | 108.7 | R153 K154 | R153-I164 WeakPolarHBondContact CD-O 3.43Å; R153-I164 PolarHBondContact O-N 3.43Å; K154-I164 HydrophobicContact CB-CD1 3.99Å; K154-I164 HydrophobicContact CB-CG1 4.44Å; K154-I164 HydrophobicContact CG-CB 4.34Å; K154-I164 HydrophobicContact CG-CD1 3.85Å | ||
| 165 | F | 94.5 | Very high | 91 | Very high | 97 Ų | 97 | 94 Ų | 94 | 43% | 0.425 | 48% | 0.48 | S | S | . | . | trans | -114.8 | 149.5 | 173.6 | -69.4 | -94.5 | 0 | 0 | 0 | 109.1 | A163 Y169 | A163-F165 HydrophobicContact CB-CE2 3.86Å; F165-Y169 AromaticContact CD1-CD1 3.6Å; F165-Y169 HydrophobicContact CD1-CD1 3.6Å; F165-Y169 HydrophobicContact CD1-CD2 4.42Å; F165-Y169 AromaticContact CD1-CE1 3.4Å; F165-Y169 HydrophobicContact CD1-CE1 3.4Å; F165-Y169 HydrophobicContact CD1-CE2 4.26Å; F165-Y169 HydrophobicContact CD1-CG 4.13Å; F165-Y169 AromaticContact CD1-CZ 3.78Å; F165-Y169 HydrophobicContact CE1-CD1 4.17Å; F165-Y169 AromaticContact CE1-CE1 3.57Å; F165-Y169 HydrophobicContact CE1-CE1 3.57Å; F165-Y169 AromaticContact CE1-CZ 3.99Å | ||
| 166 | P | 92.9 | Very high | 89.9 | Confident | 65 Ų | 65 | 102.8 Ų | 102.8 | 42% | 0.422 | 52% | 0.518 | S | S | . | . | trans | -57.9 | 154.8 | 170.4 | -21.3 | 32.6 | 0 | 0 | 0 | 111.8 | N168 Y169 | P166-N168 VanDerWaalsContact C-N 3.27Å; P166-N168 PolarHBondContact O-N 3.38Å; P166-Y169 HydrophobicContact CG-CD2 4.02Å | ||
| 167 | D | 92.5 | Very high | 89.6 | Confident | 184 Ų | 184 | 105.9 Ų | 105.9 | 98% | 0.984 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -61.8 | -36.8 | 177.3 | -67.5 | -28.8 | 0 | 0 | 0 | 111.8 | ||
| 168 | N | 92.9 | Very high | 89.4 | Confident | 85 Ų | 85 | 104.7 Ų | 104.7 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | trans | -103.5 | 113.5 | 168 | -168.5 | 23.8 | 0 | 0 | 0 | 110.8 | P166 D170 | P166-N168 VanDerWaalsContact C-N 3.27Å; P166-N168 PolarHBondContact O-N 3.38Å; N168-D170 PolarHBondContact ND2-OD2 3.41Å; N168-D170 PolarHBondContact OD1-OD2 2.96Å | ||
| 169 | Y | 91.6 | Very high | 89.5 | Confident | 78 Ų | 78 | 105.1 Ų | 105.1 | 31% | 0.306 | 53% | 0.528 | S | S | . | . | trans | -135.5 | 39.4 | -177.2 | -157.8 | -115.7 | 0 | 0 | 0 | 112.5 | R153 F165 P166 R174 | R153-Y169 PolarHBondContact NH2-OH 2.86Å; F165-Y169 AromaticContact CD1-CD1 3.6Å; F165-Y169 HydrophobicContact CD1-CD1 3.6Å; F165-Y169 HydrophobicContact CD1-CD2 4.42Å; F165-Y169 AromaticContact CD1-CE1 3.4Å; F165-Y169 HydrophobicContact CD1-CE1 3.4Å; F165-Y169 HydrophobicContact CD1-CE2 4.26Å; F165-Y169 HydrophobicContact CD1-CG 4.13Å; F165-Y169 AromaticContact CD1-CZ 3.78Å; F165-Y169 HydrophobicContact CE1-CD1 4.17Å; F165-Y169 AromaticContact CE1-CE1 3.57Å; F165-Y169 HydrophobicContact CE1-CE1 3.57Å; F165-Y169 AromaticContact CE1-CZ 3.99Å; P166-Y169 HydrophobicContact CG-CD2 4.02Å; Y169-R174 HydrophobicContact CD1-CG 4.3Å; Y169-R174 HydrophobicContact CD2-CG 3.85Å; Y169-R174 HydrophobicContact CE1-CG 4Å; Y169-R174 HydrophobicContact CE2-CG 3.5Å; Y169-R174 HydrophobicContact CG-CG 4.22Å; Y169-R174 VanDerWaalsContact CZ-CD 3.4Å; Y169-R174 PolarHBondContact O-NH1 3.13Å; Y169-R174 VanDerWaalsContact O-NH1 3.07Å | ||
| 170 | D | 92.9 | Very high | 89.5 | Confident | 65 Ų | 65 | 105.6 Ų | 105.6 | 35% | 0.348 | 52% | 0.519 | S | S | . | . | trans | -69.5 | 179 | 172.7 | 65.7 | 41.4 | 0 | 0 | 0 | 112.3 | N168 E172 E173 R174 | N168-D170 PolarHBondContact ND2-OD2 3.41Å; N168-D170 PolarHBondContact OD1-OD2 2.96Å; D170-E172 PolarHBondContact OD1-N 3.05Å; D170-E173 PolarHBondContact OD1-N 2.94Å; D170-R174 WeakPolarHBondContact O-CG 3.49Å; D170-R174 PolarHBondContact O-N 2.91Å; D170-R174 PolarHBondContact O-NE 3.24Å | ||
| 171 | A | 88.6 | Confident | 89.6 | Confident | 47 Ų | 47 | 109.6 Ų | 109.6 | 39% | 0.388 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68 | -37.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | R174 E175 | A171-R174 PolarHBondContact O-N 3.22Å; A171-E175 WeakPolarHBondContact O-CB 3.43Å; A171-E175 WeakPolarHBondContact O-CG 3.33Å; A171-E175 PolarHBondContact O-N 3.37Å |
| 172 | E | 88.4 | Confident | 89.6 | Confident | 148 Ų | 148 | 109.7 Ų | 109.7 | 69% | 0.692 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.6 | -41.9 | -176.9 | -169.9 | 176.9 | 171.3 | 0 | 0 | 110.7 | D170 E175 | D170-E172 PolarHBondContact OD1-N 3.05Å; E172-E175 PolarHBondContact O-N 3.38Å |
| 173 | E | 86.5 | Confident | 89.2 | Confident | 84 Ų | 84 | 105.6 Ų | 105.6 | 39% | 0.393 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.8 | -31.4 | 177.2 | -166 | 62 | -161.1 | 0 | 0 | 112.6 | D170 K176 | D170-E173 PolarHBondContact OD1-N 2.94Å; E173-K176 WeakPolarHBondContact OE2-CE 3.45Å; E173-K176 IonicContact OE2-NZ 2.68Å; E173-K176 PolarHBondContact OE2-NZ 3.49Å |
| 174 | R | 81.8 | Confident | 88.7 | Confident | 128 Ų | 128 | 110.9 Ų | 110.9 | 48% | 0.483 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -73.9 | -24.8 | 177.8 | -74.4 | -175.4 | -42.6 | -128 | 6.8 | 114.1 | Y169 D170 A171 | Y169-R174 HydrophobicContact CD1-CG 4.3Å; Y169-R174 HydrophobicContact CD2-CG 3.85Å; Y169-R174 HydrophobicContact CE1-CG 4Å; Y169-R174 HydrophobicContact CE2-CG 3.5Å; Y169-R174 HydrophobicContact CG-CG 4.22Å; Y169-R174 VanDerWaalsContact CZ-CD 3.4Å; Y169-R174 PolarHBondContact O-NH1 3.13Å; Y169-R174 VanDerWaalsContact O-NH1 3.07Å; D170-R174 WeakPolarHBondContact O-CG 3.49Å; D170-R174 PolarHBondContact O-N 2.91Å; D170-R174 PolarHBondContact O-NE 3.24Å; A171-R174 PolarHBondContact O-N 3.22Å |
| 175 | E | 81.1 | Confident | 88.1 | Confident | 161 Ų | 161 | 111.8 Ų | 111.8 | 75% | 0.752 | 54% | 0.543 | S | S | * | . | trans | -99 | -0.3 | -173.1 | -70.5 | 176.3 | -168.4 | 0 | 0 | 113.6 | A171 E172 | A171-E175 WeakPolarHBondContact O-CB 3.43Å; A171-E175 WeakPolarHBondContact O-CG 3.33Å; A171-E175 PolarHBondContact O-N 3.37Å; E172-E175 PolarHBondContact O-N 3.38Å | ||
| 176 | K | 73.7 | Confident | 87.5 | Confident | 199 Ų | 199 | 113.1 Ų | 113.1 | 87% | 0.865 | 55% | 0.553 | S | S | * | * | trans | -69.5 | 0 | 170.8 | -74.9 | 173.9 | -174.9 | 170.9 | 0 | 112.3 | E173 | E173-K176 WeakPolarHBondContact OE2-CE 3.45Å; E173-K176 IonicContact OE2-NZ 2.68Å; E173-K176 PolarHBondContact OE2-NZ 3.49Å |
Retrieved 176 of 176 residues in 39.4 ms
(Link to these results)