| 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 | 65.9 | Low | 73.7 | Confident | 207 Ų | 207 | 87.5 Ų | 87.5 | 100% | 1.02 | 45% | 0.452 | S | S | * | . | 0 | -59.1 | 0 | -71.8 | -166.5 | -84.6 | 0 | 0 | 112.5 | S3 W4 M5 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.25Å; M1-W4 PolarHBondContact O-N 3.47Å; M1-W4 VanDerWaalsContact O-N 3.15Å; M1-M5 PolarHBondContact O-N 2.72Å | |||
| 2 | V | 71.7 | Confident | 74.1 | Confident | 112 Ų | 112 | 87.9 Ų | 87.9 | 68% | 0.679 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -54.1 | -43.3 | -176.9 | -174.6 | 0 | 0 | 0 | 0 | 113.4 | W4 M5 I6 | V2-W4 VanDerWaalsContact C-N 3.27Å; V2-W4 PolarHBondContact O-N 3.31Å; V2-M5 WeakPolarHBondContact O-CB 3.41Å; V2-M5 PolarHBondContact O-N 2.96Å; V2-M5 VanDerWaalsContact O-N 3.13Å; V2-I6 PolarHBondContact O-N 3.34Å |
| 3 | S | 69.4 | Low | 74.2 | Confident | 58 Ų | 58 | 87 Ų | 87 | 41% | 0.406 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61 | -30.4 | -178.8 | -36.4 | 0 | 0 | 0 | 0 | 114.3 | M1 S7 | M1-S3 VanDerWaalsContact C-N 3.34Å; M1-S3 PolarHBondContact O-N 3.25Å; S3-S7 WeakPolarHBondContact O-CB 3.27Å; S3-S7 PolarHBondContact O-N 3.03Å; S3-S7 PolarHBondContact O-OG 3.47Å |
| 4 | W | 73.9 | Confident | 74.2 | Confident | 111 Ų | 111 | 89.9 Ų | 89.9 | 42% | 0.42 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -75.8 | -42.3 | 175.4 | -174.3 | 70.4 | 0 | 0 | 0 | 111.2 | M1 V2 R8 D56 Y66 | M1-W4 PolarHBondContact O-N 3.47Å; M1-W4 VanDerWaalsContact O-N 3.15Å; V2-W4 VanDerWaalsContact C-N 3.27Å; V2-W4 PolarHBondContact O-N 3.31Å; W4-R8 VanDerWaalsContact O-CB 3.26Å; W4-R8 WeakPolarHBondContact O-CB 3.34Å; W4-R8 PolarHBondContact O-N 3.43Å; W4-D56 PolarHBondContact NE1-OD2 3.46Å; W4-Y66 HydrophobicContact CB-CE1 4.33Å |
| 5 | M | 77 | Confident | 74.1 | Confident | 105 Ų | 105 | 83.9 Ų | 83.9 | 52% | 0.517 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 173 | -74.5 | -72.4 | 106.3 | 0 | 0 | 112.2 | M1 V2 R8 A9 | M1-M5 PolarHBondContact O-N 2.72Å; V2-M5 WeakPolarHBondContact O-CB 3.41Å; V2-M5 PolarHBondContact O-N 2.96Å; V2-M5 VanDerWaalsContact O-N 3.13Å; M5-R8 PolarHBondContact O-N 2.95Å; M5-A9 VanDerWaalsContact O-CB 3.3Å; M5-A9 WeakPolarHBondContact O-CB 3.4Å; M5-A9 PolarHBondContact O-N 3.16Å |
| 6 | I | 76.6 | Confident | 74.4 | Confident | 96 Ų | 96 | 83.7 Ų | 83.7 | 49% | 0.492 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | -177.3 | -151.2 | 78.6 | 0 | 0 | 0 | 110.9 | V2 R8 A9 V10 | V2-I6 PolarHBondContact O-N 3.34Å; I6-R8 PolarHBondContact O-N 3.48Å; I6-A9 PolarHBondContact O-N 3.49Å; I6-V10 WeakPolarHBondContact O-CB 3.43Å; I6-V10 VanDerWaalsContact O-CG2 3.27Å; I6-V10 WeakPolarHBondContact O-CG2 3.2Å; I6-V10 PolarHBondContact O-N 3.33Å |
| 7 | S | 72.1 | Confident | 74.7 | Confident | 6 Ų | 6 | 85.8 Ų | 85.8 | 4% | 0.042 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 177.4 | -57.3 | 0 | 0 | 0 | 0 | 110.8 | S3 A9 V10 V11 | S3-S7 WeakPolarHBondContact O-CB 3.27Å; S3-S7 PolarHBondContact O-N 3.03Å; S3-S7 PolarHBondContact O-OG 3.47Å; S7-A9 PolarHBondContact O-N 3.2Å; S7-V10 PolarHBondContact O-N 3.2Å; S7-V11 WeakPolarHBondContact O-CB 3.45Å; S7-V11 VanDerWaalsContact O-CG2 3.27Å; S7-V11 WeakPolarHBondContact O-CG2 3.38Å; S7-V11 PolarHBondContact O-N 2.74Å |
| 8 | R | 76.5 | Confident | 74.8 | Confident | 142 Ų | 142 | 88.6 Ų | 88.6 | 54% | 0.536 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 178.1 | -172.7 | 171.1 | 168.2 | 91.4 | -2.9 | 112.2 | W4 M5 I6 L12 | W4-R8 VanDerWaalsContact O-CB 3.26Å; W4-R8 WeakPolarHBondContact O-CB 3.34Å; W4-R8 PolarHBondContact O-N 3.43Å; M5-R8 PolarHBondContact O-N 2.95Å; I6-R8 PolarHBondContact O-N 3.48Å; R8-L12 HydrophobicContact CG-CD1 4.19Å; R8-L12 WeakPolarHBondContact O-CB 3.35Å; R8-L12 WeakPolarHBondContact O-CD1 3.18Å; R8-L12 WeakPolarHBondContact O-CG 3.45Å; R8-L12 PolarHBondContact O-N 2.96Å |
| 9 | A | 78.2 | Confident | 74.9 | Confident | 47 Ų | 47 | 84 Ų | 84 | 39% | 0.388 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.8 | -43.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M5 I6 S7 L12 V13 | M5-A9 VanDerWaalsContact O-CB 3.3Å; M5-A9 WeakPolarHBondContact O-CB 3.4Å; M5-A9 PolarHBondContact O-N 3.16Å; I6-A9 PolarHBondContact O-N 3.49Å; S7-A9 PolarHBondContact O-N 3.2Å; A9-L12 PolarHBondContact O-N 3.28Å; A9-V13 WeakPolarHBondContact O-CB 3.39Å; A9-V13 WeakPolarHBondContact O-CG2 3.26Å; A9-V13 PolarHBondContact O-N 2.87Å |
| 10 | V | 75.1 | Confident | 75.3 | Confident | 59 Ų | 59 | 82.1 Ų | 82.1 | 36% | 0.358 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.4 | -46.6 | 175.8 | 167.5 | 0 | 0 | 0 | 0 | 110.8 | I6 S7 L12 V13 F14 | I6-V10 WeakPolarHBondContact O-CB 3.43Å; I6-V10 VanDerWaalsContact O-CG2 3.27Å; I6-V10 WeakPolarHBondContact O-CG2 3.2Å; I6-V10 PolarHBondContact O-N 3.33Å; S7-V10 PolarHBondContact O-N 3.2Å; V10-L12 PolarHBondContact O-N 3.06Å; V10-V13 PolarHBondContact O-N 3.35Å; V10-F14 HydrophobicContact CB-CD2 4.47Å; V10-F14 HydrophobicContact CG1-CD2 3.9Å; V10-F14 HydrophobicContact CG1-CE2 4.44Å; V10-F14 WeakPolarHBondContact O-CB 3.38Å; V10-F14 WeakPolarHBondContact O-CD2 3.42Å; V10-F14 PolarHBondContact O-N 3.35Å |
| 11 | V | 74.7 | Confident | 75.6 | Confident | 19 Ų | 19 | 84.4 Ų | 84.4 | 12% | 0.115 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | S7 G15 F45 Y48 V73 | S7-V11 WeakPolarHBondContact O-CB 3.45Å; S7-V11 VanDerWaalsContact O-CG2 3.27Å; S7-V11 WeakPolarHBondContact O-CG2 3.38Å; S7-V11 PolarHBondContact O-N 2.74Å; V11-G15 WeakPolarHBondContact O-CA 3.41Å; V11-G15 PolarHBondContact O-N 2.91Å; V11-F45 HydrophobicContact CG1-CE2 4.37Å; V11-F45 HydrophobicContact CG1-CZ 4.4Å; V11-Y48 HydrophobicContact CG1-CE1 3.95Å; V11-Y48 HydrophobicContact CG2-CE1 4.42Å; V11-Y48 VanDerWaalsContact CG2-OH 3.29Å; V11-Y48 WeakPolarHBondContact CG2-OH 3.39Å; V11-V73 HydrophobicContact CG2-CG1 3.74Å; V11-V73 HydrophobicContact CG2-CG2 4.48Å |
| 12 | L | 78.3 | Confident | 76.3 | Confident | 93 Ų | 93 | 78.8 Ų | 78.8 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.1 | -46.7 | 176.1 | -75.4 | 168 | 0 | 0 | 0 | 112.2 | R8 A9 V10 M16 | R8-L12 HydrophobicContact CG-CD1 4.19Å; R8-L12 WeakPolarHBondContact O-CB 3.35Å; R8-L12 WeakPolarHBondContact O-CD1 3.18Å; R8-L12 WeakPolarHBondContact O-CG 3.45Å; R8-L12 PolarHBondContact O-N 2.96Å; A9-L12 PolarHBondContact O-N 3.28Å; V10-L12 PolarHBondContact O-N 3.06Å; L12-M16 HydrophobicContact CD2-CG 4.33Å; L12-M16 WeakPolarHBondContact O-CA 3.32Å; L12-M16 WeakPolarHBondContact O-CB 3.28Å; L12-M16 WeakPolarHBondContact O-CG 3.3Å; L12-M16 PolarHBondContact O-N 2.85Å |
| 13 | V | 75.8 | Confident | 76.7 | Confident | 76 Ų | 76 | 74.4 Ų | 74.4 | 46% | 0.461 | 37% | 0.368 | S | S | . | . | I | π-helix | trans | -71.8 | -56.3 | -176.9 | 174.8 | 0 | 0 | 0 | 0 | 110.9 | A9 V10 L17 | A9-V13 WeakPolarHBondContact O-CB 3.39Å; A9-V13 WeakPolarHBondContact O-CG2 3.26Å; A9-V13 PolarHBondContact O-N 2.87Å; V10-V13 PolarHBondContact O-N 3.35Å; V13-L17 HydrophobicContact CG1-CD2 4.31Å; V13-L17 WeakPolarHBondContact O-CA 3.25Å; V13-L17 WeakPolarHBondContact O-CB 3.43Å; V13-L17 PolarHBondContact O-N 3.43Å |
| 14 | F | 74.3 | Confident | 77.3 | Confident | 127 Ų | 127 | 78.8 Ų | 78.8 | 56% | 0.557 | 38% | 0.377 | S | S | * | . | I | π-helix | trans | -75.3 | -29.8 | -177.1 | -67.8 | -88.4 | 0 | 0 | 0 | 112.8 | V10 P19 L77 | V10-F14 HydrophobicContact CB-CD2 4.47Å; V10-F14 HydrophobicContact CG1-CD2 3.9Å; V10-F14 HydrophobicContact CG1-CE2 4.44Å; V10-F14 WeakPolarHBondContact O-CB 3.38Å; V10-F14 WeakPolarHBondContact O-CD2 3.42Å; V10-F14 PolarHBondContact O-N 3.35Å; F14-P19 WeakPolarHBondContact O-CD 3.22Å; F14-L77 HydrophobicContact CB-CD2 3.81Å |
| 15 | G | 72.3 | Confident | 77.5 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 38% | 0.375 | C | S | . | . | I | π-helix | trans | -88.4 | -15.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | V11 P19 Y41 | V11-G15 WeakPolarHBondContact O-CA 3.41Å; V11-G15 PolarHBondContact O-N 2.91Å; G15-P19 WeakPolarHBondContact O-CG 3.08Å; G15-Y41 PolarHBondContact O-OH 3.35Å |
| 16 | M | 79.5 | Confident | 77.8 | Confident | 81 Ų | 81 | 73 Ų | 73 | 40% | 0.399 | 35% | 0.352 | S | S | . | . | I | π-helix | trans | -113 | -48.2 | 171.7 | -54.3 | -76.1 | -75.7 | 0 | 0 | 112.7 | L12 P19 A20 W42 F45 | L12-M16 HydrophobicContact CD2-CG 4.33Å; L12-M16 WeakPolarHBondContact O-CA 3.32Å; L12-M16 WeakPolarHBondContact O-CB 3.28Å; L12-M16 WeakPolarHBondContact O-CG 3.3Å; L12-M16 PolarHBondContact O-N 2.85Å; M16-P19 WeakPolarHBondContact O-CD 3.32Å; M16-P19 WeakPolarHBondContact O-CG 3.35Å; M16-A20 WeakPolarHBondContact O-CA 3.45Å; M16-A20 WeakPolarHBondContact O-CB 3.31Å; M16-A20 PolarHBondContact O-N 3.11Å; M16-W42 HydrophobicContact CE-CH2 4.44Å; M16-W42 HydrophobicContact CE-CZ3 4.37Å; M16-W42 HydrophobicContact SD-CH2 4.1Å; M16-W42 HydrophobicContact SD-CZ3 3.8Å; M16-F45 HydrophobicContact CG-CE1 4.49Å; M16-F45 HydrophobicContact CG-CZ 4.38Å; M16-F45 HydrophobicContact SD-CD1 4.42Å; M16-F45 HydrophobicContact SD-CE1 3.53Å; M16-F45 VanDerWaalsContact SD-CE1 3.53Å; M16-F45 HydrophobicContact SD-CZ 4Å |
| 17 | L | 79 | Confident | 77.9 | Confident | 120 Ų | 120 | 73 Ų | 73 | 63% | 0.628 | 36% | 0.356 | S | S | * | . | I | π-helix | trans | -68.8 | -48.2 | -168.2 | -168.4 | 65.7 | 0 | 0 | 0 | 112.6 | V13 A20 Y21 | V13-L17 HydrophobicContact CG1-CD2 4.31Å; V13-L17 WeakPolarHBondContact O-CA 3.25Å; V13-L17 WeakPolarHBondContact O-CB 3.43Å; V13-L17 PolarHBondContact O-N 3.43Å; L17-A20 PolarHBondContact O-N 2.85Å; L17-Y21 PolarHBondContact O-N 3.36Å |
| 18 | Y | 75.5 | Confident | 78.4 | Confident | 136 Ų | 136 | 80.1 Ų | 80.1 | 53% | 0.533 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.5 | -56.5 | 176.7 | -172.4 | -88.4 | 0 | 0 | 0 | 111.9 | A20 Y21 Y22 | Y18-A20 VanDerWaalsContact C-N 3.35Å; Y18-A20 PolarHBondContact O-N 2.97Å; Y18-Y21 PolarHBondContact O-N 3.42Å; Y18-Y22 HydrophobicContact CD1-CD2 4.16Å; Y18-Y22 HydrophobicContact CD1-CE2 4.24Å; Y18-Y22 HydrophobicContact CD2-CE2 4.14Å; Y18-Y22 AromaticContact CE1-CD2 3.9Å; Y18-Y22 HydrophobicContact CE1-CD2 3.9Å; Y18-Y22 AromaticContact CE1-CE2 3.69Å; Y18-Y22 HydrophobicContact CE1-CE2 3.69Å; Y18-Y22 HydrophobicContact CE2-CD2 4.39Å; Y18-Y22 AromaticContact CE2-CE2 3.59Å; Y18-Y22 HydrophobicContact CE2-CE2 3.59Å; Y18-Y22 HydrophobicContact CG-CE2 4.44Å; Y18-Y22 AromaticContact CZ-CE2 3.32Å; Y18-Y22 AromaticContact CZ-CZ 4Å; Y18-Y22 WeakPolarHBondContact O-CD2 3.45Å; Y18-Y22 PolarHBondContact O-N 2.83Å; Y18-Y22 WeakPolarHBondContact OH-CE2 3.26Å; Y18-Y22 PolarHBondContact OH-OH 3.12Å |
| 19 | P | 77.4 | Confident | 78.5 | Confident | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.7 | -30.2 | 178.6 | 26.2 | -34.8 | 0 | 0 | 0 | 113.6 | F14 G15 M16 S23 W38 Y41 W42 | F14-P19 WeakPolarHBondContact O-CD 3.22Å; G15-P19 WeakPolarHBondContact O-CG 3.08Å; M16-P19 WeakPolarHBondContact O-CD 3.32Å; M16-P19 WeakPolarHBondContact O-CG 3.35Å; P19-S23 WeakPolarHBondContact O-CB 3.31Å; P19-S23 PolarHBondContact O-N 3.44Å; P19-S23 PolarHBondContact O-OG 3.4Å; P19-W38 HydrophobicContact CB-CE3 3.99Å; P19-W38 HydrophobicContact CB-CZ3 3.66Å; P19-Y41 HydrophobicContact CB-CD1 3.73Å; P19-Y41 HydrophobicContact CB-CE1 3.35Å; P19-Y41 HydrophobicContact CG-CD1 4.34Å; P19-Y41 HydrophobicContact CG-CE1 3.47Å; P19-Y41 VanDerWaalsContact CG-CE1 3.47Å; P19-W42 HydrophobicContact CB-CZ2 4.24Å; P19-W42 HydrophobicContact CG-CH2 4.39Å; P19-W42 HydrophobicContact CG-CZ2 4.48Å |
| 20 | A | 82.4 | Confident | 78.4 | Confident | 45 Ų | 45 | 82.7 Ų | 82.7 | 37% | 0.372 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | M16 L17 Y18 Y22 S23 Y24 | M16-A20 WeakPolarHBondContact O-CA 3.45Å; M16-A20 WeakPolarHBondContact O-CB 3.31Å; M16-A20 PolarHBondContact O-N 3.11Å; L17-A20 PolarHBondContact O-N 2.85Å; Y18-A20 VanDerWaalsContact C-N 3.35Å; Y18-A20 PolarHBondContact O-N 2.97Å; A20-Y22 PolarHBondContact O-N 3.37Å; A20-S23 PolarHBondContact O-N 2.84Å; A20-Y24 WeakPolarHBondContact O-CB 3.24Å; A20-Y24 PolarHBondContact O-N 2.87Å |
| 21 | Y | 82.2 | Confident | 78.6 | Confident | 132 Ų | 132 | 83.5 Ų | 83.5 | 52% | 0.518 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 177.8 | 177.4 | -98.2 | 0 | 0 | 0 | 112.2 | L17 Y18 Y24 K25 | L17-Y21 PolarHBondContact O-N 3.36Å; Y18-Y21 PolarHBondContact O-N 3.42Å; Y21-Y24 PolarHBondContact O-N 3.47Å; Y21-K25 PolarHBondContact O-N 3.13Å |
| 22 | Y | 79.8 | Confident | 78.9 | Confident | 88 Ų | 88 | 87.7 Ų | 87.7 | 35% | 0.345 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -74.7 | -30.7 | 177 | -77.3 | -91.4 | 0 | 0 | 0 | 113.6 | Y18 A20 K25 A26 W38 | Y18-Y22 HydrophobicContact CD1-CD2 4.16Å; Y18-Y22 HydrophobicContact CD1-CE2 4.24Å; Y18-Y22 HydrophobicContact CD2-CE2 4.14Å; Y18-Y22 AromaticContact CE1-CD2 3.9Å; Y18-Y22 HydrophobicContact CE1-CD2 3.9Å; Y18-Y22 AromaticContact CE1-CE2 3.69Å; Y18-Y22 HydrophobicContact CE1-CE2 3.69Å; Y18-Y22 HydrophobicContact CE2-CD2 4.39Å; Y18-Y22 AromaticContact CE2-CE2 3.59Å; Y18-Y22 HydrophobicContact CE2-CE2 3.59Å; Y18-Y22 HydrophobicContact CG-CE2 4.44Å; Y18-Y22 AromaticContact CZ-CE2 3.32Å; Y18-Y22 AromaticContact CZ-CZ 4Å; Y18-Y22 WeakPolarHBondContact O-CD2 3.45Å; Y18-Y22 PolarHBondContact O-N 2.83Å; Y18-Y22 WeakPolarHBondContact OH-CE2 3.26Å; Y18-Y22 PolarHBondContact OH-OH 3.12Å; A20-Y22 PolarHBondContact O-N 3.37Å; Y22-K25 PolarHBondContact O-N 2.7Å; Y22-A26 WeakPolarHBondContact O-CB 3.35Å; Y22-A26 PolarHBondContact O-N 3.47Å; Y22-W38 VanDerWaalsContact CB-CE2 3.41Å; Y22-W38 HydrophobicContact CD1-CZ2 4.04Å; Y22-W38 HydrophobicContact CD2-CH2 4.37Å; Y22-W38 HydrophobicContact CD2-CZ2 4.38Å; Y22-W38 HydrophobicContact CG-CH2 4.06Å; Y22-W38 AromaticContact CG-CZ2 3.63Å; Y22-W38 HydrophobicContact CG-CZ2 3.63Å; Y22-W38 PolarHBondContact O-NE1 2.87Å |
| 23 | S | 80.9 | Confident | 79 | Confident | 20 Ų | 20 | 91.9 Ų | 91.9 | 14% | 0.14 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 171.7 | -63 | 0 | 0 | 0 | 0 | 110.4 | P19 A20 K25 A26 V27 W42 | P19-S23 WeakPolarHBondContact O-CB 3.31Å; P19-S23 PolarHBondContact O-N 3.44Å; P19-S23 PolarHBondContact O-OG 3.4Å; A20-S23 PolarHBondContact O-N 2.84Å; S23-K25 PolarHBondContact O-N 2.88Å; S23-A26 PolarHBondContact O-N 2.88Å; S23-V27 WeakPolarHBondContact O-CG2 3.23Å; S23-V27 PolarHBondContact O-N 2.81Å; S23-W42 PolarHBondContact OG-NE1 3.46Å |
| 24 | Y | 81.6 | Confident | 79.3 | Confident | 151 Ų | 151 | 91.5 Ų | 91.5 | 59% | 0.592 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -58.3 | -46.2 | 171.5 | 171.3 | -96.8 | 0 | 0 | 0 | 111.5 | A20 Y21 A26 V27 K28 | A20-Y24 WeakPolarHBondContact O-CB 3.24Å; A20-Y24 PolarHBondContact O-N 2.87Å; Y21-Y24 PolarHBondContact O-N 3.47Å; Y24-A26 PolarHBondContact O-N 2.88Å; Y24-V27 PolarHBondContact O-N 2.87Å; Y24-K28 WeakPolarHBondContact O-CB 3.3Å; Y24-K28 PolarHBondContact O-N 2.63Å |
| 25 | K | 79.5 | Confident | 79.8 | Confident | 91 Ų | 91 | 91 Ų | 91 | 40% | 0.396 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 175.3 | -171.2 | 171.9 | -70.3 | -173.1 | 0 | 111.8 | Y21 Y22 S23 V27 K28 T29 | Y21-K25 PolarHBondContact O-N 3.13Å; Y22-K25 PolarHBondContact O-N 2.7Å; S23-K25 PolarHBondContact O-N 2.88Å; K25-V27 PolarHBondContact O-N 2.7Å; K25-K28 PolarHBondContact O-N 3.48Å; K25-T29 HydrophobicContact CG-CG2 4.39Å; K25-T29 WeakPolarHBondContact O-CG2 3.31Å; K25-T29 PolarHBondContact O-N 2.71Å; K25-T29 PolarHBondContact O-OG1 2.87Å; K25-T29 VanDerWaalsContact O-OG1 3.14Å |
| 26 | A | 81.3 | Confident | 80.3 | Confident | 2 Ų | 2 | 95.2 Ų | 95.2 | 2% | 0.017 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -66.1 | -34.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y22 S23 Y24 T29 K30 E34 W38 | Y22-A26 WeakPolarHBondContact O-CB 3.35Å; Y22-A26 PolarHBondContact O-N 3.47Å; S23-A26 PolarHBondContact O-N 2.88Å; Y24-A26 PolarHBondContact O-N 2.88Å; A26-T29 WeakPolarHBondContact CA-OG1 3.26Å; A26-T29 PolarHBondContact O-OG1 3.35Å; A26-K30 PolarHBondContact O-N 3.36Å; A26-E34 HydrophobicContact CB-CB 3.72Å; A26-W38 VanDerWaalsContact CB-CD1 3.49Å |
| 27 | V | 80.6 | Confident | 80.2 | Confident | 97 Ų | 97 | 99 Ų | 99 | 59% | 0.588 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.7 | -42.6 | 171.6 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | S23 Y24 K25 K30 | S23-V27 WeakPolarHBondContact O-CG2 3.23Å; S23-V27 PolarHBondContact O-N 2.81Å; Y24-V27 PolarHBondContact O-N 2.87Å; K25-V27 PolarHBondContact O-N 2.7Å; V27-K30 PolarHBondContact O-N 2.83Å |
| 28 | K | 81.1 | Confident | 80.5 | Confident | 155 Ų | 155 | 95.3 Ų | 95.3 | 67% | 0.674 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65 | -40.2 | 177.6 | -172.6 | 175.4 | -179.7 | 177 | 0 | 112.7 | Y24 K25 K30 | Y24-K28 WeakPolarHBondContact O-CB 3.3Å; Y24-K28 PolarHBondContact O-N 2.63Å; K25-K28 PolarHBondContact O-N 3.48Å; K28-K30 VanDerWaalsContact C-N 3.28Å; K28-K30 PolarHBondContact O-N 3.47Å |
| 29 | T | 79.7 | Confident | 80.8 | Confident | 62 Ų | 62 | 92.6 Ų | 92.6 | 38% | 0.38 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -76.2 | -11.8 | 179.1 | 56 | 0 | 0 | 0 | 0 | 113.7 | K25 A26 N31 E34 | K25-T29 HydrophobicContact CG-CG2 4.39Å; K25-T29 WeakPolarHBondContact O-CG2 3.31Å; K25-T29 PolarHBondContact O-N 2.71Å; K25-T29 PolarHBondContact O-OG1 2.87Å; K25-T29 VanDerWaalsContact O-OG1 3.14Å; A26-T29 WeakPolarHBondContact CA-OG1 3.26Å; A26-T29 PolarHBondContact O-OG1 3.35Å; T29-N31 WeakPolarHBondContact CB-ND2 3.3Å; T29-N31 PolarHBondContact O-N 3.37Å; T29-N31 VanDerWaalsContact O-N 3.08Å; T29-N31 PolarHBondContact OG1-ND2 2.82Å; T29-E34 PolarHBondContact OG1-OE2 3.29Å |
| 30 | K | 76.4 | Confident | 80.8 | Confident | 182 Ų | 182 | 97.1 Ų | 97.1 | 79% | 0.791 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 19.9 | -172.6 | -59.9 | -179 | 179.5 | 176.4 | 0 | 113.8 | A26 V27 K28 V32 | A26-K30 PolarHBondContact O-N 3.36Å; V27-K30 PolarHBondContact O-N 2.83Å; K28-K30 VanDerWaalsContact C-N 3.28Å; K28-K30 PolarHBondContact O-N 3.47Å; K30-V32 PolarHBondContact O-N 3Å; K30-V32 VanDerWaalsContact O-N 3.08Å |
| 31 | N | 78.1 | Confident | 80.6 | Confident | 76 Ų | 76 | 97.2 Ų | 97.2 | 41% | 0.406 | 45% | 0.448 | S | S | . | . | trans | -75.9 | 97.5 | -178.6 | -80.1 | -29.2 | 0 | 0 | 0 | 110.8 | T29 K33 E34 Y35 | T29-N31 WeakPolarHBondContact CB-ND2 3.3Å; T29-N31 PolarHBondContact O-N 3.37Å; T29-N31 VanDerWaalsContact O-N 3.08Å; T29-N31 PolarHBondContact OG1-ND2 2.82Å; N31-K33 PolarHBondContact O-N 2.86Å; N31-K33 VanDerWaalsContact O-N 3.11Å; N31-E34 HydrophobicContact CB-CB 3.92Å; N31-E34 HydrophobicContact CB-CG 3.76Å; N31-E34 WeakPolarHBondContact CB-OE2 3.27Å; N31-E34 PolarHBondContact ND2-OE2 2.82Å; N31-E34 PolarHBondContact O-N 3.41Å; N31-Y35 PolarHBondContact O-N 3.41Å | ||
| 32 | V | 81.1 | Confident | 80.6 | Confident | 107 Ų | 107 | 94.5 Ų | 94.5 | 65% | 0.648 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -52.4 | -37.8 | 179.7 | -175.6 | 0 | 0 | 0 | 0 | 112.4 | K30 E34 Y35 V36 | K30-V32 PolarHBondContact O-N 3Å; K30-V32 VanDerWaalsContact O-N 3.08Å; V32-E34 PolarHBondContact O-N 3.44Å; V32-Y35 PolarHBondContact O-N 3.2Å; V32-V36 HydrophobicContact CG1-CG2 4.4Å; V32-V36 WeakPolarHBondContact O-CG2 3.22Å; V32-V36 PolarHBondContact O-N 3.47Å |
| 33 | K | 81.4 | Confident | 80.7 | Confident | 181 Ų | 181 | 93.4 Ų | 93.4 | 79% | 0.787 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.3 | -36.2 | 177.1 | -68 | -179.1 | -179.9 | 175.3 | 0 | 113.2 | N31 R37 | N31-K33 PolarHBondContact O-N 2.86Å; N31-K33 VanDerWaalsContact O-N 3.11Å; K33-R37 PolarHBondContact O-N 2.8Å |
| 34 | E | 81.8 | Confident | 80.4 | Confident | 67 Ų | 67 | 93.5 Ų | 93.5 | 31% | 0.313 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -75.4 | -44.3 | 176.7 | -63.2 | -177.7 | 145.1 | 0 | 0 | 110 | A26 T29 N31 V32 V36 R37 W38 | A26-E34 HydrophobicContact CB-CB 3.72Å; T29-E34 PolarHBondContact OG1-OE2 3.29Å; N31-E34 HydrophobicContact CB-CB 3.92Å; N31-E34 HydrophobicContact CB-CG 3.76Å; N31-E34 WeakPolarHBondContact CB-OE2 3.27Å; N31-E34 PolarHBondContact ND2-OE2 2.82Å; N31-E34 PolarHBondContact O-N 3.41Å; V32-E34 PolarHBondContact O-N 3.44Å; E34-V36 PolarHBondContact O-N 2.71Å; E34-R37 WeakPolarHBondContact O-CB 3.33Å; E34-R37 PolarHBondContact O-N 2.91Å; E34-R37 VanDerWaalsContact O-N 3.1Å; E34-W38 PolarHBondContact O-N 2.91Å |
| 35 | Y | 84.3 | Confident | 80.2 | Confident | 118 Ų | 118 | 87.4 Ų | 87.4 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -54.7 | -47.5 | 175.3 | 176.5 | -96.4 | 0 | 0 | 0 | 112.6 | N31 V32 R37 W38 M39 | N31-Y35 PolarHBondContact O-N 3.41Å; V32-Y35 PolarHBondContact O-N 3.2Å; Y35-R37 VanDerWaalsContact C-N 3.31Å; Y35-R37 PolarHBondContact O-N 2.88Å; Y35-W38 PolarHBondContact O-N 2.88Å; Y35-M39 HydrophobicContact CE1-CE 4.32Å; Y35-M39 HydrophobicContact CE2-CE 4.31Å; Y35-M39 WeakPolarHBondContact O-CB 3.34Å; Y35-M39 PolarHBondContact O-N 3.38Å; Y35-M39 WeakPolarHBondContact OH-CE 3.3Å |
| 36 | V | 82.2 | Confident | 80.3 | Confident | 88 Ų | 88 | 85.7 Ų | 85.7 | 53% | 0.533 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.7 | -38 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 111.6 | V32 E34 M39 M40 | V32-V36 HydrophobicContact CG1-CG2 4.4Å; V32-V36 WeakPolarHBondContact O-CG2 3.22Å; V32-V36 PolarHBondContact O-N 3.47Å; E34-V36 PolarHBondContact O-N 2.71Å; V36-M39 PolarHBondContact O-N 3.4Å; V36-M40 WeakPolarHBondContact O-CB 3.29Å; V36-M40 PolarHBondContact O-N 3.46Å |
| 37 | R | 78.6 | Confident | 80.2 | Confident | 159 Ų | 159 | 87.5 Ų | 87.5 | 60% | 0.6 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.8 | -40.4 | 176.5 | -169.9 | -177.7 | -65.2 | 149.1 | -1.1 | 111.7 | K33 E34 Y35 Y41 | K33-R37 PolarHBondContact O-N 2.8Å; E34-R37 WeakPolarHBondContact O-CB 3.33Å; E34-R37 PolarHBondContact O-N 2.91Å; E34-R37 VanDerWaalsContact O-N 3.1Å; Y35-R37 VanDerWaalsContact C-N 3.31Å; Y35-R37 PolarHBondContact O-N 2.88Å; R37-Y41 PolarHBondContact O-N 2.71Å |
| 38 | W | 83.8 | Confident | 80 | Confident | 43 Ų | 43 | 83.4 Ų | 83.4 | 16% | 0.163 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -68.5 | -41.8 | 174.2 | -71.2 | 114.3 | 0 | 0 | 0 | 112.4 | P19 Y22 A26 E34 Y35 M40 Y41 W42 | P19-W38 HydrophobicContact CB-CE3 3.99Å; P19-W38 HydrophobicContact CB-CZ3 3.66Å; Y22-W38 VanDerWaalsContact CB-CE2 3.41Å; Y22-W38 HydrophobicContact CD1-CZ2 4.04Å; Y22-W38 HydrophobicContact CD2-CH2 4.37Å; Y22-W38 HydrophobicContact CD2-CZ2 4.38Å; Y22-W38 HydrophobicContact CG-CH2 4.06Å; Y22-W38 AromaticContact CG-CZ2 3.63Å; Y22-W38 HydrophobicContact CG-CZ2 3.63Å; Y22-W38 PolarHBondContact O-NE1 2.87Å; A26-W38 VanDerWaalsContact CB-CD1 3.49Å; E34-W38 PolarHBondContact O-N 2.91Å; Y35-W38 PolarHBondContact O-N 2.88Å; W38-M40 VanDerWaalsContact C-N 3.32Å; W38-M40 PolarHBondContact O-N 3.33Å; W38-Y41 HydrophobicContact CE3-CD1 4.39Å; W38-Y41 HydrophobicContact CE3-CG 4.37Å; W38-Y41 HydrophobicContact CZ3-CD1 4.47Å; W38-Y41 HydrophobicContact CZ3-CG 4.34Å; W38-Y41 WeakPolarHBondContact O-CB 3.4Å; W38-Y41 PolarHBondContact O-N 2.85Å; W38-Y41 VanDerWaalsContact O-N 3.12Å; W38-W42 PolarHBondContact O-N 3.31Å |
| 39 | M | 81.6 | Confident | 79.8 | Confident | 79 Ų | 79 | 78.8 Ų | 78.8 | 39% | 0.389 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 174.8 | -171.2 | 59.7 | 71.1 | 0 | 0 | 111.6 | Y35 V36 Y41 W42 I43 | Y35-M39 HydrophobicContact CE1-CE 4.32Å; Y35-M39 HydrophobicContact CE2-CE 4.31Å; Y35-M39 WeakPolarHBondContact O-CB 3.34Å; Y35-M39 PolarHBondContact O-N 3.38Å; Y35-M39 WeakPolarHBondContact OH-CE 3.3Å; V36-M39 PolarHBondContact O-N 3.4Å; M39-Y41 VanDerWaalsContact C-N 3.33Å; M39-Y41 PolarHBondContact O-N 2.82Å; M39-W42 PolarHBondContact O-N 3.46Å; M39-I43 HydrophobicContact CG-CD1 4.11Å; M39-I43 WeakPolarHBondContact O-CD1 3.47Å; M39-I43 VanDerWaalsContact O-CG1 3.26Å; M39-I43 WeakPolarHBondContact O-CG1 3.38Å; M39-I43 PolarHBondContact O-N 2.84Å |
| 40 | M | 77.6 | Confident | 79.8 | Confident | 97 Ų | 97 | 80 Ų | 80 | 48% | 0.478 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 174.1 | -171.6 | -175.8 | 72.6 | 0 | 0 | 112.1 | V36 W38 V44 Y88 | V36-M40 WeakPolarHBondContact O-CB 3.29Å; V36-M40 PolarHBondContact O-N 3.46Å; W38-M40 VanDerWaalsContact C-N 3.32Å; W38-M40 PolarHBondContact O-N 3.33Å; M40-V44 WeakPolarHBondContact O-CG2 3.31Å; M40-V44 PolarHBondContact O-N 3.4Å; M40-V44 VanDerWaalsContact O-N 3.17Å; M40-Y88 HydrophobicContact CG-CD2 4.48Å; M40-Y88 HydrophobicContact CG-CE2 4.14Å |
| 41 | Y | 78.1 | Confident | 79.8 | Confident | 46 Ų | 46 | 74.4 Ų | 74.4 | 18% | 0.18 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.5 | -49.1 | 172.8 | 174.2 | -85.6 | 0 | 0 | 0 | 111.7 | G15 P19 R37 W38 M39 I43 V44 F45 L77 | G15-Y41 PolarHBondContact O-OH 3.35Å; P19-Y41 HydrophobicContact CB-CD1 3.73Å; P19-Y41 HydrophobicContact CB-CE1 3.35Å; P19-Y41 HydrophobicContact CG-CD1 4.34Å; P19-Y41 HydrophobicContact CG-CE1 3.47Å; P19-Y41 VanDerWaalsContact CG-CE1 3.47Å; R37-Y41 PolarHBondContact O-N 2.71Å; W38-Y41 HydrophobicContact CE3-CD1 4.39Å; W38-Y41 HydrophobicContact CE3-CG 4.37Å; W38-Y41 HydrophobicContact CZ3-CD1 4.47Å; W38-Y41 HydrophobicContact CZ3-CG 4.34Å; W38-Y41 WeakPolarHBondContact O-CB 3.4Å; W38-Y41 PolarHBondContact O-N 2.85Å; W38-Y41 VanDerWaalsContact O-N 3.12Å; M39-Y41 VanDerWaalsContact C-N 3.33Å; M39-Y41 PolarHBondContact O-N 2.82Å; Y41-I43 VanDerWaalsContact C-N 3.3Å; Y41-I43 PolarHBondContact O-N 2.96Å; Y41-V44 PolarHBondContact O-N 3.26Å; Y41-V44 VanDerWaalsContact O-N 3.1Å; Y41-F45 HydrophobicContact CD1-CB 4.48Å; Y41-F45 HydrophobicContact CE1-CB 4.02Å; Y41-F45 HydrophobicContact CE1-CD2 4.48Å; Y41-F45 HydrophobicContact CE1-CG 4.33Å; Y41-F45 WeakPolarHBondContact O-CB 3.49Å; Y41-F45 PolarHBondContact O-N 2.9Å; Y41-L77 WeakPolarHBondContact OH-CD1 3.4Å |
| 42 | W | 83.9 | Confident | 79.8 | Confident | 76 Ų | 76 | 71.9 Ų | 71.9 | 29% | 0.288 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.5 | -39.2 | -180 | -76.5 | 115 | 0 | 0 | 0 | 112.5 | M16 P19 S23 W38 M39 F45 A46 | M16-W42 HydrophobicContact CE-CH2 4.44Å; M16-W42 HydrophobicContact CE-CZ3 4.37Å; M16-W42 HydrophobicContact SD-CH2 4.1Å; M16-W42 HydrophobicContact SD-CZ3 3.8Å; P19-W42 HydrophobicContact CB-CZ2 4.24Å; P19-W42 HydrophobicContact CG-CH2 4.39Å; P19-W42 HydrophobicContact CG-CZ2 4.48Å; S23-W42 PolarHBondContact OG-NE1 3.46Å; W38-W42 PolarHBondContact O-N 3.31Å; M39-W42 PolarHBondContact O-N 3.46Å; W42-F45 HydrophobicContact CE3-CD1 4.22Å; W42-F45 HydrophobicContact CZ3-CD1 4.15Å; W42-F45 PolarHBondContact O-N 3.44Å; W42-A46 WeakPolarHBondContact O-CB 3.49Å; W42-A46 PolarHBondContact O-N 3.3Å |
| 43 | I | 80.3 | Confident | 79.5 | Confident | 64 Ų | 64 | 70.8 Ų | 70.8 | 33% | 0.328 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.2 | -44.1 | 174.8 | -68.4 | 164.4 | 0 | 0 | 0 | 111.3 | M39 Y41 A46 L47 Y88 L92 L96 | M39-I43 HydrophobicContact CG-CD1 4.11Å; M39-I43 WeakPolarHBondContact O-CD1 3.47Å; M39-I43 VanDerWaalsContact O-CG1 3.26Å; M39-I43 WeakPolarHBondContact O-CG1 3.38Å; M39-I43 PolarHBondContact O-N 2.84Å; Y41-I43 VanDerWaalsContact C-N 3.3Å; Y41-I43 PolarHBondContact O-N 2.96Å; I43-A46 PolarHBondContact O-N 2.86Å; I43-L47 PolarHBondContact O-N 3.43Å; I43-L47 VanDerWaalsContact O-N 3.16Å; I43-Y88 HydrophobicContact CG2-CE2 4.44Å; I43-L92 HydrophobicContact CG2-CD2 3.47Å; I43-L92 VanDerWaalsContact CG2-CD2 3.47Å; I43-L96 HydrophobicContact CG2-CD1 4.37Å |
| 44 | V | 75.8 | Confident | 79.4 | Confident | 22 Ų | 22 | 66.2 Ų | 66.2 | 13% | 0.133 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.9 | -41.8 | 175.6 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | M40 Y41 A46 L47 Y48 A84 Y88 | M40-V44 WeakPolarHBondContact O-CG2 3.31Å; M40-V44 PolarHBondContact O-N 3.4Å; M40-V44 VanDerWaalsContact O-N 3.17Å; Y41-V44 PolarHBondContact O-N 3.26Å; Y41-V44 VanDerWaalsContact O-N 3.1Å; V44-A46 VanDerWaalsContact C-N 3.32Å; V44-A46 PolarHBondContact O-N 3.14Å; V44-L47 PolarHBondContact O-N 3.2Å; V44-Y48 WeakPolarHBondContact O-CB 3.23Å; V44-Y48 PolarHBondContact O-N 3.08Å; V44-A84 HydrophobicContact CG1-CB 3.93Å; V44-Y88 HydrophobicContact CG2-CD2 3.73Å |
| 45 | F | 77.8 | Confident | 79.1 | Confident | 23 Ų | 23 | 64.1 Ų | 64.1 | 10% | 0.101 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.2 | -37.3 | 178.4 | -175.3 | -100.9 | 0 | 0 | 0 | 112 | V11 M16 Y41 W42 Y48 T49 | V11-F45 HydrophobicContact CG1-CE2 4.37Å; V11-F45 HydrophobicContact CG1-CZ 4.4Å; M16-F45 HydrophobicContact CG-CE1 4.49Å; M16-F45 HydrophobicContact CG-CZ 4.38Å; M16-F45 HydrophobicContact SD-CD1 4.42Å; M16-F45 HydrophobicContact SD-CE1 3.53Å; M16-F45 VanDerWaalsContact SD-CE1 3.53Å; M16-F45 HydrophobicContact SD-CZ 4Å; Y41-F45 HydrophobicContact CD1-CB 4.48Å; Y41-F45 HydrophobicContact CE1-CB 4.02Å; Y41-F45 HydrophobicContact CE1-CD2 4.48Å; Y41-F45 HydrophobicContact CE1-CG 4.33Å; Y41-F45 WeakPolarHBondContact O-CB 3.49Å; Y41-F45 PolarHBondContact O-N 2.9Å; W42-F45 HydrophobicContact CE3-CD1 4.22Å; W42-F45 HydrophobicContact CZ3-CD1 4.15Å; W42-F45 PolarHBondContact O-N 3.44Å; F45-Y48 HydrophobicContact CD2-CD1 4.12Å; F45-Y48 HydrophobicContact CE2-CD1 4.19Å; F45-Y48 HydrophobicContact CE2-CE1 4.39Å; F45-Y48 PolarHBondContact O-N 3.34Å; F45-T49 WeakPolarHBondContact O-CB 3.37Å; F45-T49 PolarHBondContact O-N 3.29Å; F45-T49 PolarHBondContact O-OG1 3.04Å |
| 46 | A | 81.4 | Confident | 78.7 | Confident | 55 Ų | 55 | 60.3 Ų | 60.3 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.2 | -47 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W42 I43 V44 Y48 T49 V50 | W42-A46 WeakPolarHBondContact O-CB 3.49Å; W42-A46 PolarHBondContact O-N 3.3Å; I43-A46 PolarHBondContact O-N 2.86Å; V44-A46 VanDerWaalsContact C-N 3.32Å; V44-A46 PolarHBondContact O-N 3.14Å; A46-Y48 VanDerWaalsContact C-N 3.34Å; A46-Y48 PolarHBondContact O-N 3.2Å; A46-T49 PolarHBondContact O-N 2.84Å; A46-V50 PolarHBondContact O-N 2.88Å; A46-V50 VanDerWaalsContact O-N 3.14Å |
| 47 | L | 77.4 | Confident | 78.3 | Confident | 40 Ų | 40 | 64 Ų | 64 | 21% | 0.209 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.4 | -47 | 173.6 | 177.8 | 73.5 | 0 | 0 | 0 | 111 | I43 V44 T49 V50 I51 I87 L92 | I43-L47 PolarHBondContact O-N 3.43Å; I43-L47 VanDerWaalsContact O-N 3.16Å; V44-L47 PolarHBondContact O-N 3.2Å; L47-T49 VanDerWaalsContact C-N 3.3Å; L47-T49 PolarHBondContact O-N 3.49Å; L47-V50 PolarHBondContact O-N 2.95Å; L47-V50 VanDerWaalsContact O-N 3.13Å; L47-I51 HydrophobicContact CD1-CD1 4.16Å; L47-I51 HydrophobicContact CD1-CG1 4.42Å; L47-I51 HydrophobicContact CD2-CD1 4Å; L47-I51 HydrophobicContact CG-CD1 3.79Å; L47-I51 HydrophobicContact CG-CG1 4.35Å; L47-I51 WeakPolarHBondContact O-CG1 3.24Å; L47-I51 PolarHBondContact O-N 2.9Å; L47-I87 HydrophobicContact CD2-CG2 3.84Å; L47-L92 HydrophobicContact CB-CD1 3.67Å; L47-L92 HydrophobicContact CD1-CD1 4.03Å; L47-L92 HydrophobicContact CD2-CB 4.4Å; L47-L92 HydrophobicContact CD2-CD1 3.56Å; L47-L92 HydrophobicContact CG-CD1 3.91Å |
| 48 | Y | 77 | Confident | 78.2 | Confident | 11 Ų | 11 | 60.1 Ų | 60.1 | 4% | 0.043 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.2 | -44.7 | 178.2 | 163.1 | -116.7 | 0 | 0 | 0 | 111 | V11 V44 F45 A46 V50 I51 E52 V73 L76 | V11-Y48 HydrophobicContact CG1-CE1 3.95Å; V11-Y48 HydrophobicContact CG2-CE1 4.42Å; V11-Y48 VanDerWaalsContact CG2-OH 3.29Å; V11-Y48 WeakPolarHBondContact CG2-OH 3.39Å; V44-Y48 WeakPolarHBondContact O-CB 3.23Å; V44-Y48 PolarHBondContact O-N 3.08Å; F45-Y48 HydrophobicContact CD2-CD1 4.12Å; F45-Y48 HydrophobicContact CE2-CD1 4.19Å; F45-Y48 HydrophobicContact CE2-CE1 4.39Å; F45-Y48 PolarHBondContact O-N 3.34Å; A46-Y48 VanDerWaalsContact C-N 3.34Å; A46-Y48 PolarHBondContact O-N 3.2Å; Y48-V50 VanDerWaalsContact C-N 3.3Å; Y48-V50 PolarHBondContact O-N 3.36Å; Y48-I51 PolarHBondContact O-N 3.48Å; Y48-E52 HydrophobicContact CD2-CB 4.44Å; Y48-E52 HydrophobicContact CE2-CB 3.92Å; Y48-E52 HydrophobicContact CE2-CG 4.44Å; Y48-E52 VanDerWaalsContact CE2-OE2 3.29Å; Y48-E52 WeakPolarHBondContact CE2-OE2 3.28Å; Y48-E52 WeakPolarHBondContact O-CB 3.32Å; Y48-E52 PolarHBondContact O-N 3.18Å; Y48-E52 PolarHBondContact OH-OE1 3.33Å; Y48-E52 PolarHBondContact OH-OE2 2.93Å; Y48-V73 HydrophobicContact CE2-CG2 4.1Å; Y48-V73 WeakPolarHBondContact OH-CG1 3.35Å; Y48-V73 WeakPolarHBondContact OH-CG2 3.26Å; Y48-L76 HydrophobicContact CD2-CD1 3.43Å; Y48-L76 VanDerWaalsContact CD2-CD1 3.43Å; Y48-L76 HydrophobicContact CE2-CD1 4.08Å; Y48-L76 HydrophobicContact CG-CD1 4.18Å |
| 49 | T | 77.4 | Confident | 77.5 | Confident | 59 Ų | 59 | 60.2 Ų | 60.2 | 36% | 0.362 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.3 | -40.4 | 176.4 | -57 | 0 | 0 | 0 | 0 | 112 | F45 A46 L47 T53 | F45-T49 WeakPolarHBondContact O-CB 3.37Å; F45-T49 PolarHBondContact O-N 3.29Å; F45-T49 PolarHBondContact O-OG1 3.04Å; A46-T49 PolarHBondContact O-N 2.84Å; L47-T49 VanDerWaalsContact C-N 3.3Å; L47-T49 PolarHBondContact O-N 3.49Å; T49-T53 WeakPolarHBondContact O-CG2 3.41Å; T49-T53 PolarHBondContact O-N 3.45Å; T49-T53 VanDerWaalsContact O-N 3.08Å; T49-T53 PolarHBondContact O-OG1 2.82Å |
| 50 | V | 78.9 | Confident | 76.9 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 52% | 0.521 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.3 | -47.9 | 175.1 | 177 | 0 | 0 | 0 | 0 | 111.1 | A46 L47 Y48 E52 T53 V54 | A46-V50 PolarHBondContact O-N 2.88Å; A46-V50 VanDerWaalsContact O-N 3.14Å; L47-V50 PolarHBondContact O-N 2.95Å; L47-V50 VanDerWaalsContact O-N 3.13Å; Y48-V50 VanDerWaalsContact C-N 3.3Å; Y48-V50 PolarHBondContact O-N 3.36Å; V50-E52 VanDerWaalsContact C-N 3.33Å; V50-E52 PolarHBondContact O-N 3.43Å; V50-T53 PolarHBondContact O-N 3.23Å; V50-T53 PolarHBondContact O-OG1 2.96Å; V50-V54 WeakPolarHBondContact O-CG2 3.34Å; V50-V54 PolarHBondContact O-N 3.4Å |
| 51 | I | 76.2 | Confident | 76.8 | Confident | 66 Ų | 66 | 64.7 Ų | 64.7 | 34% | 0.338 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 178.9 | -66.7 | 172.9 | 0 | 0 | 0 | 111 | L47 Y48 T53 V54 A55 | L47-I51 HydrophobicContact CD1-CD1 4.16Å; L47-I51 HydrophobicContact CD1-CG1 4.42Å; L47-I51 HydrophobicContact CD2-CD1 4Å; L47-I51 HydrophobicContact CG-CD1 3.79Å; L47-I51 HydrophobicContact CG-CG1 4.35Å; L47-I51 WeakPolarHBondContact O-CG1 3.24Å; L47-I51 PolarHBondContact O-N 2.9Å; Y48-I51 PolarHBondContact O-N 3.48Å; I51-T53 VanDerWaalsContact C-N 3.34Å; I51-T53 PolarHBondContact O-N 3.42Å; I51-V54 PolarHBondContact O-N 3.47Å; I51-A55 VanDerWaalsContact O-CB 3.28Å; I51-A55 WeakPolarHBondContact O-CB 3.48Å; I51-A55 PolarHBondContact O-N 2.89Å |
| 52 | E | 79.1 | Confident | 76.8 | Confident | 23 Ų | 23 | 66.4 Ų | 66.4 | 11% | 0.107 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.2 | -46.3 | 174.1 | 177.3 | 84.6 | 174.3 | 0 | 0 | 111.2 | Y48 V50 A55 D56 K69 | Y48-E52 HydrophobicContact CD2-CB 4.44Å; Y48-E52 HydrophobicContact CE2-CB 3.92Å; Y48-E52 HydrophobicContact CE2-CG 4.44Å; Y48-E52 VanDerWaalsContact CE2-OE2 3.29Å; Y48-E52 WeakPolarHBondContact CE2-OE2 3.28Å; Y48-E52 WeakPolarHBondContact O-CB 3.32Å; Y48-E52 PolarHBondContact O-N 3.18Å; Y48-E52 PolarHBondContact OH-OE1 3.33Å; Y48-E52 PolarHBondContact OH-OE2 2.93Å; V50-E52 VanDerWaalsContact C-N 3.33Å; V50-E52 PolarHBondContact O-N 3.43Å; E52-A55 PolarHBondContact O-N 2.83Å; E52-D56 WeakPolarHBondContact O-CB 3.48Å; E52-D56 PolarHBondContact O-N 2.82Å; E52-K69 WeakPolarHBondContact OE1-CE 3.46Å; E52-K69 IonicContact OE1-NZ 2.69Å; E52-K69 PolarHBondContact OE1-NZ 2.89Å |
| 53 | T | 75.2 | Confident | 76.1 | Confident | 84 Ų | 84 | 68.3 Ų | 68.3 | 52% | 0.515 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67 | -36.7 | 177.3 | 56.4 | 0 | 0 | 0 | 0 | 113.5 | T49 V50 I51 Q57 | T49-T53 WeakPolarHBondContact O-CG2 3.41Å; T49-T53 PolarHBondContact O-N 3.45Å; T49-T53 VanDerWaalsContact O-N 3.08Å; T49-T53 PolarHBondContact O-OG1 2.82Å; V50-T53 PolarHBondContact O-N 3.23Å; V50-T53 PolarHBondContact O-OG1 2.96Å; I51-T53 VanDerWaalsContact C-N 3.34Å; I51-T53 PolarHBondContact O-N 3.42Å; T53-Q57 PolarHBondContact O-N 3.11Å; T53-Q57 VanDerWaalsContact O-N 3.15Å |
| 54 | V | 78.3 | Confident | 75.7 | Confident | 84 Ų | 84 | 70.4 Ų | 70.4 | 51% | 0.509 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -71.2 | -39.9 | 176.4 | 175.3 | 0 | 0 | 0 | 0 | 111 | V50 I51 Q57 T58 | V50-V54 WeakPolarHBondContact O-CG2 3.34Å; V50-V54 PolarHBondContact O-N 3.4Å; I51-V54 PolarHBondContact O-N 3.47Å; V54-Q57 PolarHBondContact O-N 3.42Å; V54-T58 HydrophobicContact CG1-CG2 4.33Å; V54-T58 WeakPolarHBondContact O-CB 3.35Å; V54-T58 WeakPolarHBondContact O-CG2 3.47Å; V54-T58 PolarHBondContact O-N 3.46Å; V54-T58 PolarHBondContact O-OG1 3.08Å |
| 55 | A | 76 | Confident | 75.5 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 19% | 0.19 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I51 E52 Q57 T58 V59 Y65 | I51-A55 VanDerWaalsContact O-CB 3.28Å; I51-A55 WeakPolarHBondContact O-CB 3.48Å; I51-A55 PolarHBondContact O-N 2.89Å; E52-A55 PolarHBondContact O-N 2.83Å; A55-Q57 VanDerWaalsContact C-N 3.28Å; A55-Q57 PolarHBondContact O-N 2.84Å; A55-T58 PolarHBondContact O-N 2.95Å; A55-V59 WeakPolarHBondContact O-CB 3.47Å; A55-V59 WeakPolarHBondContact O-CG2 3.11Å; A55-V59 PolarHBondContact O-N 2.81Å; A55-Y65 HydrophobicContact CB-CE2 4.23Å; A55-Y65 VanDerWaalsContact CB-OH 3.28Å; A55-Y65 WeakPolarHBondContact CB-OH 3.2Å |
| 56 | D | 75.9 | Confident | 75.2 | Confident | 39 Ų | 39 | 73 Ų | 73 | 21% | 0.209 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -61.5 | -36.7 | 174.7 | -86.2 | 7.2 | 0 | 0 | 0 | 112 | W4 E52 A60 Y65 K69 | W4-D56 PolarHBondContact NE1-OD2 3.46Å; E52-D56 WeakPolarHBondContact O-CB 3.48Å; E52-D56 PolarHBondContact O-N 2.82Å; D56-A60 WeakPolarHBondContact O-CB 3.42Å; D56-Y65 PolarHBondContact N-OH 2.8Å; D56-Y65 VanDerWaalsContact N-OH 3.15Å; D56-Y65 VanDerWaalsContact OD1-CE1 3.26Å; D56-Y65 WeakPolarHBondContact OD1-CE1 3.22Å; D56-Y65 PolarHBondContact OD1-OH 3.2Å; D56-K69 IonicContact OD1-NZ 2.65Å; D56-K69 PolarHBondContact OD1-NZ 3.21Å; D56-K69 IonicContact OD2-NZ 2.65Å; D56-K69 PolarHBondContact OD2-NZ 3.26Å |
| 57 | Q | 75 | Confident | 75.1 | Confident | 165 Ų | 165 | 76.8 Ų | 76.8 | 77% | 0.771 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -73.9 | -35.3 | 176.3 | -170.1 | 61 | 42.8 | 0 | 0 | 113.3 | T53 V54 A55 | T53-Q57 PolarHBondContact O-N 3.11Å; T53-Q57 VanDerWaalsContact O-N 3.15Å; V54-Q57 PolarHBondContact O-N 3.42Å; A55-Q57 VanDerWaalsContact C-N 3.28Å; A55-Q57 PolarHBondContact O-N 2.84Å |
| 58 | T | 74.9 | Confident | 75.1 | Confident | 78 Ų | 78 | 80.1 Ų | 80.1 | 48% | 0.479 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -99.2 | -20 | -169.7 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | V54 A55 W61 | V54-T58 HydrophobicContact CG1-CG2 4.33Å; V54-T58 WeakPolarHBondContact O-CB 3.35Å; V54-T58 WeakPolarHBondContact O-CG2 3.47Å; V54-T58 PolarHBondContact O-N 3.46Å; V54-T58 PolarHBondContact O-OG1 3.08Å; A55-T58 PolarHBondContact O-N 2.95Å; T58-W61 PolarHBondContact O-NE1 3.28Å |
| 59 | V | 70.3 | Confident | 74.9 | Confident | 45 Ų | 45 | 80 Ų | 80 | 27% | 0.273 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -118.6 | 0.2 | -171.9 | -159.6 | 0 | 0 | 0 | 0 | 112.5 | A55 W61 F62 Y65 | A55-V59 WeakPolarHBondContact O-CB 3.47Å; A55-V59 WeakPolarHBondContact O-CG2 3.11Å; A55-V59 PolarHBondContact O-N 2.81Å; V59-W61 PolarHBondContact O-N 3.4Å; V59-F62 HydrophobicContact CG1-CB 3.88Å; V59-F62 PolarHBondContact O-N 2.96Å; V59-Y65 HydrophobicContact CB-CD1 4.46Å; V59-Y65 HydrophobicContact CB-CD2 3.56Å; V59-Y65 HydrophobicContact CB-CE2 3.69Å; V59-Y65 HydrophobicContact CB-CG 3.99Å; V59-Y65 HydrophobicContact CG1-CD2 3.34Å; V59-Y65 HydrophobicContact CG1-CE2 3.96Å; V59-Y65 HydrophobicContact CG1-CG 3.8Å; V59-Y65 HydrophobicContact CG2-CD2 4.48Å; V59-Y65 HydrophobicContact CG2-CE2 4.28Å |
| 60 | A | 67.7 | Low | 74.7 | Confident | 66 Ų | 66 | 80 Ų | 80 | 55% | 0.545 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -16.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.1 | D56 | D56-A60 WeakPolarHBondContact O-CB 3.42Š|
| 61 | W | 77.1 | Confident | 74.7 | Confident | 203 Ų | 203 | 78.6 Ų | 78.6 | 77% | 0.769 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -14.2 | 173.7 | 70 | -84.6 | 0 | 0 | 0 | 114 | T58 V59 | T58-W61 PolarHBondContact O-NE1 3.28Å; V59-W61 PolarHBondContact O-N 3.4Å |
| 62 | F | 76.6 | Confident | 74.6 | Confident | 82 Ų | 82 | 79.6 Ų | 79.6 | 36% | 0.36 | 42% | 0.421 | S | S | . | . | trans | -96.2 | 122.7 | -173 | -160.2 | -104.8 | 0 | 0 | 0 | 111.8 | V59 L64 Y65 | V59-F62 HydrophobicContact CG1-CB 3.88Å; V59-F62 PolarHBondContact O-N 2.96Å; F62-L64 VanDerWaalsContact C-N 3.34Å; F62-L64 HydrophobicContact CD1-CB 4.12Å; F62-L64 HydrophobicContact CE1-CB 3.89Å; F62-L64 HydrophobicContact CE1-CD1 4.45Å; F62-L64 PolarHBondContact O-N 2.92Å; F62-Y65 WeakPolarHBondContact O-CB 3.44Å; F62-Y65 PolarHBondContact O-N 3.41Å | ||
| 63 | P | 69.5 | Low | 74.3 | Confident | 117 Ų | 117 | 78.9 Ų | 78.9 | 76% | 0.76 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -26.4 | -168.3 | 24.9 | -34.2 | 0 | 0 | 0 | 114.6 | Y65 | P63-Y65 VanDerWaalsContact C-N 3.29Š|
| 64 | L | 71.5 | Confident | 74.1 | Confident | 108 Ų | 108 | 79.7 Ų | 79.7 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 5.7 | 175.3 | -70 | 168.6 | 0 | 0 | 0 | 113.4 | F62 Y66 E67 L68 | F62-L64 VanDerWaalsContact C-N 3.34Å; F62-L64 HydrophobicContact CD1-CB 4.12Å; F62-L64 HydrophobicContact CE1-CB 3.89Å; F62-L64 HydrophobicContact CE1-CD1 4.45Å; F62-L64 PolarHBondContact O-N 2.92Å; L64-Y66 PolarHBondContact O-N 2.84Å; L64-E67 PolarHBondContact O-N 3.25Å; L64-L68 HydrophobicContact CB-CD1 4.38Å; L64-L68 PolarHBondContact O-N 2.83Å |
| 65 | Y | 72.9 | Confident | 74 | Confident | 16 Ų | 16 | 80.5 Ų | 80.5 | 6% | 0.063 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.3 | -44.2 | -173.8 | 177.4 | -126.5 | 0 | 0 | 0 | 112.8 | A55 D56 V59 F62 P63 E67 L68 K69 | A55-Y65 HydrophobicContact CB-CE2 4.23Å; A55-Y65 VanDerWaalsContact CB-OH 3.28Å; A55-Y65 WeakPolarHBondContact CB-OH 3.2Å; D56-Y65 PolarHBondContact N-OH 2.8Å; D56-Y65 VanDerWaalsContact N-OH 3.15Å; D56-Y65 VanDerWaalsContact OD1-CE1 3.26Å; D56-Y65 WeakPolarHBondContact OD1-CE1 3.22Å; D56-Y65 PolarHBondContact OD1-OH 3.2Å; V59-Y65 HydrophobicContact CB-CD1 4.46Å; V59-Y65 HydrophobicContact CB-CD2 3.56Å; V59-Y65 HydrophobicContact CB-CE2 3.69Å; V59-Y65 HydrophobicContact CB-CG 3.99Å; V59-Y65 HydrophobicContact CG1-CD2 3.34Å; V59-Y65 HydrophobicContact CG1-CE2 3.96Å; V59-Y65 HydrophobicContact CG1-CG 3.8Å; V59-Y65 HydrophobicContact CG2-CD2 4.48Å; V59-Y65 HydrophobicContact CG2-CE2 4.28Å; F62-Y65 WeakPolarHBondContact O-CB 3.44Å; F62-Y65 PolarHBondContact O-N 3.41Å; P63-Y65 VanDerWaalsContact C-N 3.29Å; Y65-E67 PolarHBondContact O-N 3.43Å; Y65-L68 PolarHBondContact O-N 2.87Å; Y65-K69 HydrophobicContact CD2-CB 4.25Å; Y65-K69 HydrophobicContact CE1-CD 3.85Å; Y65-K69 HydrophobicContact CE2-CB 3.99Å; Y65-K69 HydrophobicContact CE2-CD 4.46Å; Y65-K69 HydrophobicContact CE2-CG 4.46Å; Y65-K69 WeakPolarHBondContact O-CA 3.19Å; Y65-K69 WeakPolarHBondContact O-CB 3.31Å; Y65-K69 PolarHBondContact O-N 3.49Å |
| 66 | Y | 71.1 | Confident | 73.7 | Confident | 83 Ų | 83 | 80.1 Ų | 80.1 | 33% | 0.325 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64 | -37 | -174 | -67.2 | -83.3 | 0 | 0 | 0 | 113.8 | W4 L64 I70 | W4-Y66 HydrophobicContact CB-CE1 4.33Å; L64-Y66 PolarHBondContact O-N 2.84Å; Y66-I70 WeakPolarHBondContact O-CB 3.4Å; Y66-I70 WeakPolarHBondContact O-CD1 3.26Å; Y66-I70 VanDerWaalsContact O-CG1 3.25Å; Y66-I70 WeakPolarHBondContact O-CG1 3.16Å; Y66-I70 PolarHBondContact O-N 2.84Å |
| 67 | E | 79.4 | Confident | 73.2 | Confident | 135 Ų | 135 | 80.1 Ų | 80.1 | 63% | 0.631 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -71.7 | -48.6 | 176.5 | -64.9 | -56 | 142.3 | 0 | 0 | 111.5 | L64 Y65 K69 I70 A71 | L64-E67 PolarHBondContact O-N 3.25Å; Y65-E67 PolarHBondContact O-N 3.43Å; E67-K69 VanDerWaalsContact C-N 3.26Å; E67-K69 PolarHBondContact O-N 3.28Å; E67-I70 PolarHBondContact O-N 3.49Å; E67-A71 WeakPolarHBondContact O-CB 2.99Å; E67-A71 PolarHBondContact O-N 2.8Å |
| 68 | L | 76.6 | Confident | 72.8 | Confident | 109 Ų | 109 | 73.8 Ų | 73.8 | 57% | 0.571 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62 | -36.7 | 175.9 | -76.4 | 169 | 0 | 0 | 0 | 111.8 | L64 Y65 F72 | L64-L68 HydrophobicContact CB-CD1 4.38Å; L64-L68 PolarHBondContact O-N 2.83Å; Y65-L68 PolarHBondContact O-N 2.87Å; L68-F72 WeakPolarHBondContact O-CB 3.49Å; L68-F72 PolarHBondContact O-N 3.3Å |
| 69 | K | 73.7 | Confident | 72 | Confident | 9 Ų | 9 | 75.4 Ų | 75.4 | 4% | 0.039 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -58.9 | -61.6 | 171.8 | 176.8 | 178.7 | -178.5 | 164.1 | 0 | 109.3 | E52 D56 Y65 E67 A71 F72 V73 | E52-K69 WeakPolarHBondContact OE1-CE 3.46Å; E52-K69 IonicContact OE1-NZ 2.69Å; E52-K69 PolarHBondContact OE1-NZ 2.89Å; D56-K69 IonicContact OD1-NZ 2.65Å; D56-K69 PolarHBondContact OD1-NZ 3.21Å; D56-K69 IonicContact OD2-NZ 2.65Å; D56-K69 PolarHBondContact OD2-NZ 3.26Å; Y65-K69 HydrophobicContact CD2-CB 4.25Å; Y65-K69 HydrophobicContact CE1-CD 3.85Å; Y65-K69 HydrophobicContact CE2-CB 3.99Å; Y65-K69 HydrophobicContact CE2-CD 4.46Å; Y65-K69 HydrophobicContact CE2-CG 4.46Å; Y65-K69 WeakPolarHBondContact O-CA 3.19Å; Y65-K69 WeakPolarHBondContact O-CB 3.31Å; Y65-K69 PolarHBondContact O-N 3.49Å; E67-K69 VanDerWaalsContact C-N 3.26Å; E67-K69 PolarHBondContact O-N 3.28Å; K69-A71 VanDerWaalsContact C-N 3.27Å; K69-A71 PolarHBondContact O-N 2.88Å; K69-F72 CarbonylContact O-C 3.56Å; K69-F72 PolarHBondContact O-N 3.48Å; K69-V73 HydrophobicContact CG-CG2 4.14Å; K69-V73 VanDerWaalsContact O-CG2 3.23Å; K69-V73 WeakPolarHBondContact O-CG2 3.27Å; K69-V73 PolarHBondContact O-N 3.28Å |
| 70 | I | 73.2 | Confident | 71.2 | Confident | 58 Ų | 58 | 83.4 Ų | 83.4 | 30% | 0.297 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -56.6 | -41.6 | -178.8 | -69 | 164.4 | 0 | 0 | 0 | 111.2 | Y66 E67 V73 I74 | Y66-I70 WeakPolarHBondContact O-CB 3.4Å; Y66-I70 WeakPolarHBondContact O-CD1 3.26Å; Y66-I70 VanDerWaalsContact O-CG1 3.25Å; Y66-I70 WeakPolarHBondContact O-CG1 3.16Å; Y66-I70 PolarHBondContact O-N 2.84Å; E67-I70 PolarHBondContact O-N 3.49Å; I70-V73 PolarHBondContact O-N 2.97Å; I70-I74 HydrophobicContact CG2-CD1 3.65Å; I70-I74 HydrophobicContact CG2-CG1 4.36Å; I70-I74 WeakPolarHBondContact O-CB 3.17Å; I70-I74 VanDerWaalsContact O-CG1 3.24Å; I70-I74 WeakPolarHBondContact O-CG1 3.31Å; I70-I74 PolarHBondContact O-N 2.66Å |
| 71 | A | 78.3 | Confident | 71 | Confident | 58 Ų | 58 | 83.5 Ų | 83.5 | 48% | 0.479 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E67 K69 I74 W75 | E67-A71 WeakPolarHBondContact O-CB 2.99Å; E67-A71 PolarHBondContact O-N 2.8Å; K69-A71 VanDerWaalsContact C-N 3.27Å; K69-A71 PolarHBondContact O-N 2.88Å; A71-I74 PolarHBondContact O-N 2.68Å; A71-W75 WeakPolarHBondContact O-CB 3.25Å; A71-W75 PolarHBondContact O-N 3.49Å |
| 72 | F | 75.1 | Confident | 70.3 | Confident | 86 Ų | 86 | 81.5 Ų | 81.5 | 38% | 0.377 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.7 | -39.5 | 177.5 | -170.3 | -107.9 | 0 | 0 | 0 | 112.3 | L68 K69 W75 L76 I87 | L68-F72 WeakPolarHBondContact O-CB 3.49Å; L68-F72 PolarHBondContact O-N 3.3Å; K69-F72 CarbonylContact O-C 3.56Å; K69-F72 PolarHBondContact O-N 3.48Å; F72-W75 HydrophobicContact CD2-CE3 4.02Å; F72-W75 HydrophobicContact CD2-CZ3 4.4Å; F72-W75 AromaticContact CE2-CE3 3.96Å; F72-W75 HydrophobicContact CE2-CE3 3.96Å; F72-W75 AromaticContact CE2-CZ3 3.88Å; F72-W75 HydrophobicContact CE2-CZ3 3.88Å; F72-W75 PolarHBondContact O-N 2.86Å; F72-L76 HydrophobicContact CD1-CD1 3.8Å; F72-L76 HydrophobicContact CE1-CD1 3.39Å; F72-L76 HydrophobicContact CE1-CG 4.25Å; F72-L76 HydrophobicContact CZ-CD1 3.88Å; F72-L76 HydrophobicContact CZ-CG 4.37Å; F72-L76 WeakPolarHBondContact O-CB 3.33Å; F72-L76 PolarHBondContact O-N 3.29Å; F72-I87 HydrophobicContact CZ-CD1 4.43Å |
| 73 | V | 71.1 | Confident | 69.8 | Low | 8 Ų | 8 | 77.7 Ų | 77.7 | 5% | 0.048 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.5 | -51.7 | 171.2 | 175.8 | 0 | 0 | 0 | 0 | 109.7 | V11 Y48 K69 I70 W75 L76 L77 | V11-V73 HydrophobicContact CG2-CG1 3.74Å; V11-V73 HydrophobicContact CG2-CG2 4.48Å; Y48-V73 HydrophobicContact CE2-CG2 4.1Å; Y48-V73 WeakPolarHBondContact OH-CG1 3.35Å; Y48-V73 WeakPolarHBondContact OH-CG2 3.26Å; K69-V73 HydrophobicContact CG-CG2 4.14Å; K69-V73 VanDerWaalsContact O-CG2 3.23Å; K69-V73 WeakPolarHBondContact O-CG2 3.27Å; K69-V73 PolarHBondContact O-N 3.28Å; I70-V73 PolarHBondContact O-N 2.97Å; V73-W75 VanDerWaalsContact C-N 3.33Å; V73-W75 PolarHBondContact O-N 3.47Å; V73-L76 PolarHBondContact O-N 3.35Å; V73-L77 WeakPolarHBondContact O-CA 3.24Å; V73-L77 WeakPolarHBondContact O-CB 3.45Å; V73-L77 PolarHBondContact O-N 3.05Å |
| 74 | I | 72.4 | Confident | 69.5 | Low | 102 Ų | 102 | 73 Ų | 73 | 52% | 0.523 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 179 | -69.4 | 168.4 | 0 | 0 | 0 | 110.9 | I70 A71 L76 S78 | I70-I74 HydrophobicContact CG2-CD1 3.65Å; I70-I74 HydrophobicContact CG2-CG1 4.36Å; I70-I74 WeakPolarHBondContact O-CB 3.17Å; I70-I74 VanDerWaalsContact O-CG1 3.24Å; I70-I74 WeakPolarHBondContact O-CG1 3.31Å; I70-I74 PolarHBondContact O-N 2.66Å; A71-I74 PolarHBondContact O-N 2.68Å; I74-L76 VanDerWaalsContact C-N 3.33Å; I74-L76 PolarHBondContact O-N 3Å; I74-S78 WeakPolarHBondContact O-CB 3.42Å; I74-S78 PolarHBondContact O-N 3.5Å |
| 75 | W | 76.4 | Confident | 69.1 | Low | 101 Ų | 101 | 71.3 Ų | 71.3 | 38% | 0.383 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.5 | -32 | 178.4 | -178.8 | 80.9 | 0 | 0 | 0 | 113.3 | A71 F72 V73 T81 I87 | A71-W75 WeakPolarHBondContact O-CB 3.25Å; A71-W75 PolarHBondContact O-N 3.49Å; F72-W75 HydrophobicContact CD2-CE3 4.02Å; F72-W75 HydrophobicContact CD2-CZ3 4.4Å; F72-W75 AromaticContact CE2-CE3 3.96Å; F72-W75 HydrophobicContact CE2-CE3 3.96Å; F72-W75 AromaticContact CE2-CZ3 3.88Å; F72-W75 HydrophobicContact CE2-CZ3 3.88Å; F72-W75 PolarHBondContact O-N 2.86Å; V73-W75 VanDerWaalsContact C-N 3.33Å; V73-W75 PolarHBondContact O-N 3.47Å; W75-T81 PolarHBondContact O-OG1 3.37Å; W75-I87 HydrophobicContact CH2-CD1 4.28Å; W75-I87 HydrophobicContact CZ3-CD1 3.76Å |
| 76 | L | 68.7 | Low | 69 | Low | 15 Ų | 15 | 75 Ų | 75 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -79.9 | -45.8 | 172.2 | -86.2 | 176.8 | 0 | 0 | 0 | 113.3 | Y48 F72 V73 I74 S78 I87 | Y48-L76 HydrophobicContact CD2-CD1 3.43Å; Y48-L76 VanDerWaalsContact CD2-CD1 3.43Å; Y48-L76 HydrophobicContact CE2-CD1 4.08Å; Y48-L76 HydrophobicContact CG-CD1 4.18Å; F72-L76 HydrophobicContact CD1-CD1 3.8Å; F72-L76 HydrophobicContact CE1-CD1 3.39Å; F72-L76 HydrophobicContact CE1-CG 4.25Å; F72-L76 HydrophobicContact CZ-CD1 3.88Å; F72-L76 HydrophobicContact CZ-CG 4.37Å; F72-L76 WeakPolarHBondContact O-CB 3.33Å; F72-L76 PolarHBondContact O-N 3.29Å; V73-L76 PolarHBondContact O-N 3.35Å; I74-L76 VanDerWaalsContact C-N 3.33Å; I74-L76 PolarHBondContact O-N 3Å; L76-S78 VanDerWaalsContact C-N 3.31Å; L76-I87 HydrophobicContact CD2-CD1 3.6Å |
| 77 | L | 65 | Low | 69 | Low | 38 Ų | 38 | 72.4 Ų | 72.4 | 20% | 0.199 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -71.7 | -28.9 | -174.8 | -173.2 | 65.8 | 0 | 0 | 0 | 111.3 | F14 Y41 V73 P79 | F14-L77 HydrophobicContact CB-CD2 3.81Å; Y41-L77 WeakPolarHBondContact OH-CD1 3.4Å; V73-L77 WeakPolarHBondContact O-CA 3.24Å; V73-L77 WeakPolarHBondContact O-CB 3.45Å; V73-L77 PolarHBondContact O-N 3.05Å; L77-P79 WeakPolarHBondContact O-CD 3.5Å; L77-P79 VanDerWaalsContact O-N 3.12Å |
| 78 | S | 67 | Low | 68.2 | Low | 33 Ų | 33 | 69.4 Ų | 69.4 | 23% | 0.231 | 36% | 0.357 | C | S | . | . | trans | -61.6 | 109.1 | 169.5 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | I74 L76 Y80 T81 | I74-S78 WeakPolarHBondContact O-CB 3.42Å; I74-S78 PolarHBondContact O-N 3.5Å; L76-S78 VanDerWaalsContact C-N 3.31Å; S78-Y80 PolarHBondContact O-N 2.84Å; S78-Y80 WeakPolarHBondContact OG-CB 3.26Å; S78-Y80 PolarHBondContact OG-N 2.82Å; S78-T81 PolarHBondContact O-OG1 3.43Å | ||
| 79 | P | 58.2 | Low | 67.7 | Low | 111 Ų | 111 | 74 Ų | 74 | 72% | 0.721 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -3 | 175.3 | 34 | -35.4 | 0 | 0 | 0 | 111.4 | L77 | L77-P79 WeakPolarHBondContact O-CD 3.5Å; L77-P79 VanDerWaalsContact O-N 3.12Å |
| 80 | Y | 54.2 | Low | 67.5 | Low | 213 Ų | 213 | 80.6 Ų | 80.6 | 84% | 0.835 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -33.1 | -171.9 | -141 | -98.1 | 0 | 0 | 0 | 113.1 | S78 K82 | S78-Y80 PolarHBondContact O-N 2.84Å; S78-Y80 WeakPolarHBondContact OG-CB 3.26Å; S78-Y80 PolarHBondContact OG-N 2.82Å; Y80-K82 VanDerWaalsContact C-N 3.26Å; Y80-K82 PolarHBondContact O-N 3.2Å |
| 81 | T | 62 | Low | 67.4 | Low | 68 Ų | 68 | 83.9 Ų | 83.9 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -78.1 | -4 | -174.3 | 53.3 | 0 | 0 | 0 | 0 | 114.4 | W75 S78 G83 | W75-T81 PolarHBondContact O-OG1 3.37Å; S78-T81 PolarHBondContact O-OG1 3.43Å; T81-G83 PolarHBondContact O-N 3.4Å |
| 82 | K | 63 | Low | 66.7 | Low | 161 Ų | 161 | 81.6 Ų | 81.6 | 70% | 0.7 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 57.5 | 6.1 | -170.9 | -58.1 | 172.3 | -178.5 | 166 | 0 | 114.7 | Y80 A84 S85 L86 | Y80-K82 VanDerWaalsContact C-N 3.26Å; Y80-K82 PolarHBondContact O-N 3.2Å; K82-A84 PolarHBondContact O-N 2.74Å; K82-S85 CarbonylContact O-C 3.56Å; K82-S85 WeakPolarHBondContact O-CA 3.5Å; K82-S85 WeakPolarHBondContact O-CB 3.39Å; K82-S85 PolarHBondContact O-N 3.21Å; K82-L86 PolarHBondContact O-N 2.94Å |
| 83 | G | 66.1 | Low | 66.2 | Low | 2 Ų | 2 | 82.8 Ų | 82.8 | 2% | 0.021 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58 | -49.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | T81 S85 L86 I87 | T81-G83 PolarHBondContact O-N 3.4Å; G83-S85 VanDerWaalsContact C-N 3.31Å; G83-S85 PolarHBondContact O-N 2.82Å; G83-L86 PolarHBondContact O-N 3.42Å; G83-I87 PolarHBondContact O-N 3.44Å |
| 84 | A | 63.2 | Low | 66.2 | Low | 19 Ų | 19 | 85.5 Ų | 85.5 | 16% | 0.157 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -49.2 | -46 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V44 K82 Y88 | V44-A84 HydrophobicContact CG1-CB 3.93Å; K82-A84 PolarHBondContact O-N 2.74Å; A84-Y88 WeakPolarHBondContact O-CB 3.07Å; A84-Y88 PolarHBondContact O-N 3.31Å |
| 85 | S | 64.2 | Low | 66 | Low | 73 Ų | 73 | 84.8 Ų | 84.8 | 51% | 0.51 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70.9 | -34.4 | -178.9 | -178.1 | 0 | 0 | 0 | 0 | 112.8 | K82 G83 Y88 R89 | K82-S85 CarbonylContact O-C 3.56Å; K82-S85 WeakPolarHBondContact O-CA 3.5Å; K82-S85 WeakPolarHBondContact O-CB 3.39Å; K82-S85 PolarHBondContact O-N 3.21Å; G83-S85 VanDerWaalsContact C-N 3.31Å; G83-S85 PolarHBondContact O-N 2.82Å; S85-Y88 PolarHBondContact O-N 2.92Å; S85-R89 WeakPolarHBondContact O-CB 3.48Å; S85-R89 PolarHBondContact O-N 3.1Å |
| 86 | L | 69 | Low | 65.5 | Low | 93 Ų | 93 | 83.4 Ų | 83.4 | 49% | 0.487 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.4 | -45 | 175.5 | -173.1 | 68.7 | 0 | 0 | 0 | 110.8 | K82 G83 R89 K90 | K82-L86 PolarHBondContact O-N 2.94Å; G83-L86 PolarHBondContact O-N 3.42Å; L86-R89 PolarHBondContact O-N 3.06Å; L86-K90 WeakPolarHBondContact O-CB 3.41Å; L86-K90 PolarHBondContact O-N 3.43Å |
| 87 | I | 71.6 | Confident | 65.5 | Low | 28 Ų | 28 | 86.5 Ų | 86.5 | 14% | 0.144 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -68.2 | -39.6 | 175.9 | -73.4 | 165 | 0 | 0 | 0 | 111 | L47 F72 W75 L76 G83 R89 F91 L92 | L47-I87 HydrophobicContact CD2-CG2 3.84Å; F72-I87 HydrophobicContact CZ-CD1 4.43Å; W75-I87 HydrophobicContact CH2-CD1 4.28Å; W75-I87 HydrophobicContact CZ3-CD1 3.76Å; L76-I87 HydrophobicContact CD2-CD1 3.6Å; G83-I87 PolarHBondContact O-N 3.44Å; I87-R89 VanDerWaalsContact C-N 3.3Å; I87-R89 PolarHBondContact O-N 2.98Å; I87-F91 HydrophobicContact CG2-CB 4.47Å; I87-F91 PolarHBondContact O-N 3.25Å; I87-L92 PolarHBondContact O-N 2.76Å |
| 88 | Y | 63.6 | Low | 65.8 | Low | 72 Ų | 72 | 89.1 Ų | 89.1 | 28% | 0.282 | 45% | 0.453 | S | S | . | . | I | π-helix | trans | -55 | -47.3 | 172 | -173.7 | -79.7 | 0 | 0 | 0 | 110.9 | M40 I43 V44 A84 S85 L92 H93 | M40-Y88 HydrophobicContact CG-CD2 4.48Å; M40-Y88 HydrophobicContact CG-CE2 4.14Å; I43-Y88 HydrophobicContact CG2-CE2 4.44Å; V44-Y88 HydrophobicContact CG2-CD2 3.73Å; A84-Y88 WeakPolarHBondContact O-CB 3.07Å; A84-Y88 PolarHBondContact O-N 3.31Å; S85-Y88 PolarHBondContact O-N 2.92Å; Y88-L92 HydrophobicContact CD2-CB 4.36Å; Y88-L92 HydrophobicContact CD2-CD2 3.3Å; Y88-L92 HydrophobicContact CD2-CG 4.46Å; Y88-L92 HydrophobicContact CE2-CD2 3.28Å; Y88-L92 HydrophobicContact CG-CB 4.46Å; Y88-L92 HydrophobicContact CG-CD2 4.15Å; Y88-L92 CarbonylContact O-C 3.55Å; Y88-L92 WeakPolarHBondContact O-CB 3.44Å; Y88-L92 PolarHBondContact O-N 3.43Å; Y88-H93 WeakPolarHBondContact O-CB 3.06Å; Y88-H93 PolarHBondContact O-N 2.86Å |
| 89 | R | 66.2 | Low | 66.1 | Low | 207 Ų | 207 | 91.2 Ų | 91.2 | 78% | 0.781 | 46% | 0.458 | S | S | * | . | I | π-helix | trans | -77.7 | -36.5 | -176.6 | -165 | 174.7 | -178.6 | -173.2 | -0.2 | 114 | S85 L86 I87 | S85-R89 WeakPolarHBondContact O-CB 3.48Å; S85-R89 PolarHBondContact O-N 3.1Å; L86-R89 PolarHBondContact O-N 3.06Å; I87-R89 VanDerWaalsContact C-N 3.3Å; I87-R89 PolarHBondContact O-N 2.98Å |
| 90 | K | 69.5 | Low | 67 | Low | 147 Ų | 147 | 91.5 Ų | 91.5 | 64% | 0.639 | 45% | 0.449 | S | S | * | . | I | π-helix | trans | -83.9 | -37.8 | -177.8 | -83.2 | -164 | 171.1 | -169.6 | 0 | 114.5 | L86 P94 | L86-K90 WeakPolarHBondContact O-CB 3.41Å; L86-K90 PolarHBondContact O-N 3.43Å; K90-P94 WeakPolarHBondContact O-CG 3.44Å |
| 91 | F | 69.7 | Low | 67.9 | Low | 126 Ų | 126 | 91.1 Ų | 91.1 | 55% | 0.553 | 45% | 0.447 | S | S | * | . | I | π-helix | trans | -112.9 | -54.5 | -175.3 | -75.3 | -81.9 | 0 | 0 | 0 | 111.1 | I87 H93 P94 L95 | I87-F91 HydrophobicContact CG2-CB 4.47Å; I87-F91 PolarHBondContact O-N 3.25Å; F91-H93 PolarHBondContact O-N 3.4Å; F91-P94 VanDerWaalsContact O-CD 3.29Å; F91-P94 WeakPolarHBondContact O-CD 3.49Å; F91-P94 WeakPolarHBondContact O-CG 3.38Å; F91-L95 HydrophobicContact CB-CD1 4.22Å; F91-L95 WeakPolarHBondContact O-CB 3.44Å; F91-L95 WeakPolarHBondContact O-CG 3.07Å; F91-L95 PolarHBondContact O-N 2.84Å |
| 92 | L | 64 | Low | 68.6 | Low | 10 Ų | 10 | 91.6 Ų | 91.6 | 5% | 0.052 | 44% | 0.444 | C | S | . | . | I | π-helix | trans | -67 | -41.5 | -170.9 | -160.9 | 95.1 | 0 | 0 | 0 | 112.7 | I43 L47 I87 Y88 L96 | I43-L92 HydrophobicContact CG2-CD2 3.47Å; I43-L92 VanDerWaalsContact CG2-CD2 3.47Å; L47-L92 HydrophobicContact CB-CD1 3.67Å; L47-L92 HydrophobicContact CD1-CD1 4.03Å; L47-L92 HydrophobicContact CD2-CB 4.4Å; L47-L92 HydrophobicContact CD2-CD1 3.56Å; L47-L92 HydrophobicContact CG-CD1 3.91Å; I87-L92 PolarHBondContact O-N 2.76Å; Y88-L92 HydrophobicContact CD2-CB 4.36Å; Y88-L92 HydrophobicContact CD2-CD2 3.3Å; Y88-L92 HydrophobicContact CD2-CG 4.46Å; Y88-L92 HydrophobicContact CE2-CD2 3.28Å; Y88-L92 HydrophobicContact CG-CB 4.46Å; Y88-L92 HydrophobicContact CG-CD2 4.15Å; Y88-L92 CarbonylContact O-C 3.55Å; Y88-L92 WeakPolarHBondContact O-CB 3.44Å; Y88-L92 PolarHBondContact O-N 3.43Å; L92-L96 HydrophobicContact CD1-CD1 4.31Å; L92-L96 HydrophobicContact CD1-CG 4.45Å; L92-L96 HydrophobicContact CD2-CD1 3.54Å; L92-L96 HydrophobicContact CD2-CG 4.41Å; L92-L96 HydrophobicContact CG-CD1 3.63Å; L92-L96 HydrophobicContact CG-CG 3.96Å; L92-L96 WeakPolarHBondContact O-CB 3.09Å; L92-L96 WeakPolarHBondContact O-CG 3.15Å; L92-L96 PolarHBondContact O-N 3.48Å |
| 93 | H | 65.3 | Low | 69.3 | Low | 111 Ų | 111 | 87.4 Ų | 87.4 | 51% | 0.514 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.4 | -49.8 | 178.9 | -171.6 | -71.2 | 0 | 0 | 0 | 112.9 | Y88 F91 S97 | Y88-H93 WeakPolarHBondContact O-CB 3.06Å; Y88-H93 PolarHBondContact O-N 2.86Å; F91-H93 PolarHBondContact O-N 3.4Å; H93-S97 WeakPolarHBondContact O-CB 3.35Å; H93-S97 PolarHBondContact O-N 3.3Å |
| 94 | P | 70.4 | Confident | 70.1 | Confident | 65 Ų | 65 | 91.4 Ų | 91.4 | 42% | 0.422 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -71.4 | -34.3 | 174.5 | 25.4 | -32.4 | 0 | 0 | 0 | 113.4 | K90 F91 S98 | K90-P94 WeakPolarHBondContact O-CG 3.44Å; F91-P94 VanDerWaalsContact O-CD 3.29Å; F91-P94 WeakPolarHBondContact O-CD 3.49Å; F91-P94 WeakPolarHBondContact O-CG 3.38Å; P94-S98 WeakPolarHBondContact O-CB 3.46Å; P94-S98 PolarHBondContact O-N 3.4Å |
| 95 | L | 68.8 | Low | 71.1 | Confident | 87 Ų | 87 | 95.2 Ų | 95.2 | 46% | 0.455 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.4 | -54.2 | 175.5 | -74.4 | 170.2 | 0 | 0 | 0 | 110.7 | F91 S98 K99 | F91-L95 HydrophobicContact CB-CD1 4.22Å; F91-L95 WeakPolarHBondContact O-CB 3.44Å; F91-L95 WeakPolarHBondContact O-CG 3.07Å; F91-L95 PolarHBondContact O-N 2.84Å; L95-S98 PolarHBondContact O-N 2.68Å; L95-K99 WeakPolarHBondContact O-CA 3.36Å; L95-K99 WeakPolarHBondContact O-CB 3.2Å; L95-K99 WeakPolarHBondContact O-CG 3.21Å; L95-K99 PolarHBondContact O-N 3.26Å |
| 96 | L | 65.6 | Low | 71.9 | Confident | 73 Ų | 73 | 98.4 Ų | 98.4 | 38% | 0.382 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60 | -52.7 | 175.6 | -70.5 | 177.7 | 0 | 0 | 0 | 110.8 | I43 L92 S98 K99 E100 | I43-L96 HydrophobicContact CG2-CD1 4.37Å; L92-L96 HydrophobicContact CD1-CD1 4.31Å; L92-L96 HydrophobicContact CD1-CG 4.45Å; L92-L96 HydrophobicContact CD2-CD1 3.54Å; L92-L96 HydrophobicContact CD2-CG 4.41Å; L92-L96 HydrophobicContact CG-CD1 3.63Å; L92-L96 HydrophobicContact CG-CG 3.96Å; L92-L96 WeakPolarHBondContact O-CB 3.09Å; L92-L96 WeakPolarHBondContact O-CG 3.15Å; L92-L96 PolarHBondContact O-N 3.48Å; L96-S98 VanDerWaalsContact C-N 3.28Å; L96-S98 PolarHBondContact O-N 2.89Å; L96-K99 CarbonylContact O-C 3.55Å; L96-K99 PolarHBondContact O-N 2.9Å; L96-E100 WeakPolarHBondContact O-CA 3.25Å; L96-E100 WeakPolarHBondContact O-CB 3.45Å; L96-E100 PolarHBondContact O-N 3.01Å |
| 97 | S | 69.5 | Low | 72.6 | Confident | 79 Ų | 79 | 98.8 Ų | 98.8 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.8 | -28.2 | -175.8 | -176.2 | 0 | 0 | 0 | 0 | 114.2 | H93 | H93-S97 WeakPolarHBondContact O-CB 3.35Å; H93-S97 PolarHBondContact O-N 3.3Å |
| 98 | S | 70.1 | Confident | 73.3 | Confident | 94 Ų | 94 | 100.9 Ų | 100.9 | 66% | 0.657 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -84.5 | -37.7 | 176 | -170.1 | 0 | 0 | 0 | 0 | 112 | P94 L95 L96 | P94-S98 WeakPolarHBondContact O-CB 3.46Å; P94-S98 PolarHBondContact O-N 3.4Å; L95-S98 PolarHBondContact O-N 2.68Å; L96-S98 VanDerWaalsContact C-N 3.28Å; L96-S98 PolarHBondContact O-N 2.89Å |
| 99 | K | 73.3 | Confident | 74.5 | Confident | 76 Ų | 76 | 100.9 Ų | 100.9 | 33% | 0.33 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -94.3 | -6.3 | -177.1 | -61.5 | -68.6 | -170.4 | 174.8 | 0 | 114.1 | L95 L96 R101 E102 I103 | L95-K99 WeakPolarHBondContact O-CA 3.36Å; L95-K99 WeakPolarHBondContact O-CB 3.2Å; L95-K99 WeakPolarHBondContact O-CG 3.21Å; L95-K99 PolarHBondContact O-N 3.26Å; L96-K99 CarbonylContact O-C 3.55Å; L96-K99 PolarHBondContact O-N 2.9Å; K99-R101 VanDerWaalsContact C-N 3.32Å; K99-R101 PolarHBondContact O-N 3.1Å; K99-E102 HydrophobicContact CD-CB 4.19Å; K99-E102 VanDerWaalsContact CD-CD 3.5Å; K99-E102 HydrophobicContact CD-CG 4.41Å; K99-E102 WeakPolarHBondContact CD-OE2 3.45Å; K99-E102 WeakPolarHBondContact CE-OE2 3.41Å; K99-E102 IonicContact NZ-OE1 2.98Å; K99-E102 PolarHBondContact NZ-OE1 2.82Å; K99-E102 IonicContact NZ-OE2 2.76Å; K99-E102 PolarHBondContact NZ-OE2 2.9Å; K99-E102 CarbonylContact O-C 3.52Å; K99-E102 PolarHBondContact O-N 3.34Å; K99-I103 HydrophobicContact CB-CD1 3.62Å; K99-I103 HydrophobicContact CB-CG1 3.99Å; K99-I103 VanDerWaalsContact O-CB 3.25Å; K99-I103 WeakPolarHBondContact O-CB 3.44Å; K99-I103 WeakPolarHBondContact O-CG1 3.46Å; K99-I103 PolarHBondContact O-N 3.2Å |
| 100 | E | 76.8 | Confident | 75.5 | Confident | 117 Ų | 117 | 94.1 Ų | 94.1 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -52.6 | -50.6 | -178 | 177.3 | 175.2 | -167.2 | 0 | 0 | 110.7 | L96 E102 I103 D104 | L96-E100 WeakPolarHBondContact O-CA 3.25Å; L96-E100 WeakPolarHBondContact O-CB 3.45Å; L96-E100 PolarHBondContact O-N 3.01Å; E100-E102 PolarHBondContact O-N 2.68Å; E100-I103 PolarHBondContact O-N 3.12Å; E100-D104 WeakPolarHBondContact O-CB 3.04Å; E100-D104 VanDerWaalsContact O-CG 3.26Å; E100-D104 PolarHBondContact O-N 3.17Å |
| 101 | R | 74.1 | Confident | 76.3 | Confident | 206 Ų | 206 | 93.3 Ų | 93.3 | 78% | 0.777 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63 | -43.4 | 174.5 | -65.4 | -175.5 | -177.9 | 174.8 | 1.4 | 113.2 | K99 I103 D104 D105 | K99-R101 VanDerWaalsContact C-N 3.32Å; K99-R101 PolarHBondContact O-N 3.1Å; R101-I103 VanDerWaalsContact C-N 3.34Å; R101-D104 PolarHBondContact O-N 3.46Å; R101-D105 VanDerWaalsContact O-CB 3.27Å; R101-D105 WeakPolarHBondContact O-CB 3.43Å; R101-D105 PolarHBondContact O-N 3.16Å |
| 102 | E | 77.6 | Confident | 77.3 | Confident | 78 Ų | 78 | 92.6 Ų | 92.6 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.5 | -37 | -178.5 | -167.1 | -175.8 | 127.4 | 0 | 0 | 111.5 | K99 E100 Y106 | K99-E102 HydrophobicContact CD-CB 4.19Å; K99-E102 VanDerWaalsContact CD-CD 3.5Å; K99-E102 HydrophobicContact CD-CG 4.41Å; K99-E102 WeakPolarHBondContact CD-OE2 3.45Å; K99-E102 WeakPolarHBondContact CE-OE2 3.41Å; K99-E102 IonicContact NZ-OE1 2.98Å; K99-E102 PolarHBondContact NZ-OE1 2.82Å; K99-E102 IonicContact NZ-OE2 2.76Å; K99-E102 PolarHBondContact NZ-OE2 2.9Å; K99-E102 CarbonylContact O-C 3.52Å; K99-E102 PolarHBondContact O-N 3.34Å; E100-E102 PolarHBondContact O-N 2.68Å; E102-Y106 HydrophobicContact CG-CD2 3.85Å; E102-Y106 HydrophobicContact CG-CE2 3.62Å; E102-Y106 VanDerWaalsContact O-CB 3.24Å; E102-Y106 WeakPolarHBondContact O-CB 3.32Å; E102-Y106 WeakPolarHBondContact O-CD2 3.43Å; E102-Y106 PolarHBondContact O-N 2.86Å |
| 103 | I | 77.2 | Confident | 78.4 | Confident | 73 Ų | 73 | 99.1 Ų | 99.1 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.2 | -44.7 | 175 | -70.4 | 163.2 | 0 | 0 | 0 | 109.6 | K99 E100 R101 Y106 I107 | K99-I103 HydrophobicContact CB-CD1 3.62Å; K99-I103 HydrophobicContact CB-CG1 3.99Å; K99-I103 VanDerWaalsContact O-CB 3.25Å; K99-I103 WeakPolarHBondContact O-CB 3.44Å; K99-I103 WeakPolarHBondContact O-CG1 3.46Å; K99-I103 PolarHBondContact O-N 3.2Å; E100-I103 PolarHBondContact O-N 3.12Å; R101-I103 VanDerWaalsContact C-N 3.34Å; I103-Y106 CarbonylContact O-C 3.57Å; I103-Y106 PolarHBondContact O-N 3.45Å; I103-I107 HydrophobicContact CG2-CD1 3.59Å; I103-I107 HydrophobicContact CG2-CG1 4.26Å; I103-I107 VanDerWaalsContact O-CB 3.31Å; I103-I107 WeakPolarHBondContact O-CB 3.08Å; I103-I107 WeakPolarHBondContact O-CG1 3.44Å; I103-I107 PolarHBondContact O-N 2.78Å |
| 104 | D | 82.2 | Confident | 79.4 | Confident | 86 Ų | 86 | 95.7 Ų | 95.7 | 46% | 0.46 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 174.5 | -76 | -16.9 | 0 | 0 | 0 | 110.8 | E100 R101 Y106 I107 V108 | E100-D104 WeakPolarHBondContact O-CB 3.04Å; E100-D104 VanDerWaalsContact O-CG 3.26Å; E100-D104 PolarHBondContact O-N 3.17Å; R101-D104 PolarHBondContact O-N 3.46Å; D104-Y106 VanDerWaalsContact C-N 3.34Å; D104-Y106 PolarHBondContact O-N 3.43Å; D104-I107 PolarHBondContact O-N 3.37Å; D104-V108 WeakPolarHBondContact O-CB 3.42Å; D104-V108 VanDerWaalsContact O-CG2 3.32Å; D104-V108 WeakPolarHBondContact O-CG2 3.3Å; D104-V108 PolarHBondContact O-N 3.47Å |
| 105 | D | 83.7 | Confident | 80.3 | Confident | 99 Ų | 99 | 99 Ų | 99 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 175.9 | -71 | -25 | 0 | 0 | 0 | 111.6 | R101 Q109 | R101-D105 VanDerWaalsContact O-CB 3.27Å; R101-D105 WeakPolarHBondContact O-CB 3.43Å; R101-D105 PolarHBondContact O-N 3.16Å; D105-Q109 WeakPolarHBondContact O-CB 3.46Å; D105-Q109 VanDerWaalsContact O-CG 3.25Å; D105-Q109 WeakPolarHBondContact O-CG 3.1Å; D105-Q109 PolarHBondContact O-N 2.95Å; D105-Q109 PolarHBondContact O-NE2 2.9Å |
| 106 | Y | 82.1 | Confident | 81.4 | Confident | 139 Ų | 139 | 100.7 Ų | 100.7 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.4 | -35.9 | 173.6 | -85.4 | -53 | 0 | 0 | 0 | 112.7 | E102 I103 D104 A110 | E102-Y106 HydrophobicContact CG-CD2 3.85Å; E102-Y106 HydrophobicContact CG-CE2 3.62Å; E102-Y106 VanDerWaalsContact O-CB 3.24Å; E102-Y106 WeakPolarHBondContact O-CB 3.32Å; E102-Y106 WeakPolarHBondContact O-CD2 3.43Å; E102-Y106 PolarHBondContact O-N 2.86Å; I103-Y106 CarbonylContact O-C 3.57Å; I103-Y106 PolarHBondContact O-N 3.45Å; D104-Y106 VanDerWaalsContact C-N 3.34Å; D104-Y106 PolarHBondContact O-N 3.43Å; Y106-A110 WeakPolarHBondContact O-CA 3.04Å; Y106-A110 WeakPolarHBondContact O-CB 3.48Å; Y106-A110 PolarHBondContact O-N 2.86Å |
| 107 | I | 84 | Confident | 82.5 | Confident | 102 Ų | 102 | 101.8 Ų | 101.8 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.5 | -41.8 | 176.6 | -74.3 | 167.5 | 0 | 0 | 0 | 109.8 | I103 D104 A110 K111 | I103-I107 HydrophobicContact CG2-CD1 3.59Å; I103-I107 HydrophobicContact CG2-CG1 4.26Å; I103-I107 VanDerWaalsContact O-CB 3.31Å; I103-I107 WeakPolarHBondContact O-CB 3.08Å; I103-I107 WeakPolarHBondContact O-CG1 3.44Å; I103-I107 PolarHBondContact O-N 2.78Å; D104-I107 PolarHBondContact O-N 3.37Å; I107-A110 PolarHBondContact O-N 3.3Å; I107-K111 WeakPolarHBondContact O-CB 3.41Å; I107-K111 PolarHBondContact O-N 3.48Å |
| 108 | V | 86.6 | Confident | 83.5 | Confident | 71 Ų | 71 | 103.6 Ų | 103.6 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -50.5 | 173.7 | 171.3 | 0 | 0 | 0 | 0 | 110 | D104 A110 K111 E112 | D104-V108 WeakPolarHBondContact O-CB 3.42Å; D104-V108 VanDerWaalsContact O-CG2 3.32Å; D104-V108 WeakPolarHBondContact O-CG2 3.3Å; D104-V108 PolarHBondContact O-N 3.47Å; V108-A110 PolarHBondContact O-N 3.14Å; V108-K111 WeakPolarHBondContact O-CB 3.47Å; V108-K111 PolarHBondContact O-N 3.28Å; V108-E112 WeakPolarHBondContact CG1-OE1 3.29Å; V108-E112 WeakPolarHBondContact O-CB 3.22Å; V108-E112 WeakPolarHBondContact O-CG 3.34Å; V108-E112 PolarHBondContact O-N 3.47Å |
| 109 | Q | 87.3 | Confident | 84.6 | Confident | 72 Ų | 72 | 102 Ų | 102 | 34% | 0.336 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 176.8 | -75.9 | 176.1 | 72.3 | 0 | 0 | 113.4 | D105 K111 E112 R113 | D105-Q109 WeakPolarHBondContact O-CB 3.46Å; D105-Q109 VanDerWaalsContact O-CG 3.25Å; D105-Q109 WeakPolarHBondContact O-CG 3.1Å; D105-Q109 PolarHBondContact O-N 2.95Å; D105-Q109 PolarHBondContact O-NE2 2.9Å; Q109-K111 VanDerWaalsContact C-N 3.34Å; Q109-E112 PolarHBondContact O-N 2.83Å; Q109-R113 VanDerWaalsContact O-CB 3.31Å; Q109-R113 WeakPolarHBondContact O-CB 3.19Å; Q109-R113 WeakPolarHBondContact O-CG 3.14Å; Q109-R113 PolarHBondContact O-N 2.81Å |
| 110 | A | 87.4 | Confident | 85.5 | Confident | 65 Ų | 65 | 102.4 Ų | 102.4 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.5 | -36 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y106 I107 V108 G114 | Y106-A110 WeakPolarHBondContact O-CA 3.04Å; Y106-A110 WeakPolarHBondContact O-CB 3.48Å; Y106-A110 PolarHBondContact O-N 2.86Å; I107-A110 PolarHBondContact O-N 3.3Å; V108-A110 PolarHBondContact O-N 3.14Å; A110-G114 WeakPolarHBondContact O-CA 3.2Å; A110-G114 PolarHBondContact O-N 3.41Å |
| 111 | K | 87.9 | Confident | 86.2 | Confident | 130 Ų | 130 | 104.2 Ų | 104.2 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.4 | -52.8 | 171 | -179.3 | -177.6 | 177 | -171.8 | 0 | 110.3 | I107 V108 Q109 G114 Y115 | I107-K111 WeakPolarHBondContact O-CB 3.41Å; I107-K111 PolarHBondContact O-N 3.48Å; V108-K111 WeakPolarHBondContact O-CB 3.47Å; V108-K111 PolarHBondContact O-N 3.28Å; Q109-K111 VanDerWaalsContact C-N 3.34Å; K111-G114 PolarHBondContact O-N 2.96Å; K111-Y115 HydrophobicContact CD-CE2 4.3Å; K111-Y115 HydrophobicContact CG-CD2 3.63Å; K111-Y115 HydrophobicContact CG-CE2 3.69Å; K111-Y115 WeakPolarHBondContact O-CB 3.34Å; K111-Y115 VanDerWaalsContact O-CD2 3.31Å; K111-Y115 WeakPolarHBondContact O-CD2 3.09Å; K111-Y115 PolarHBondContact O-N 3.36Å |
| 112 | E | 89.1 | Confident | 87 | Confident | 111 Ų | 111 | 96 Ų | 96 | 52% | 0.519 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.9 | -54.2 | 179.7 | -74 | 170.3 | 176.2 | 0 | 0 | 111.4 | V108 Q109 G114 Y115 E116 | V108-E112 WeakPolarHBondContact CG1-OE1 3.29Å; V108-E112 WeakPolarHBondContact O-CB 3.22Å; V108-E112 WeakPolarHBondContact O-CG 3.34Å; V108-E112 PolarHBondContact O-N 3.47Å; Q109-E112 PolarHBondContact O-N 2.83Å; E112-G114 VanDerWaalsContact C-N 3.27Å; E112-G114 PolarHBondContact O-N 3.47Å; E112-Y115 PolarHBondContact O-N 2.96Å; E112-E116 WeakPolarHBondContact O-CB 3.42Å; E112-E116 WeakPolarHBondContact O-CG 3.45Å; E112-E116 PolarHBondContact O-N 2.65Å |
| 113 | R | 87.5 | Confident | 87.7 | Confident | 148 Ų | 148 | 99.7 Ų | 99.7 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.5 | -37.4 | 175.5 | -66.5 | 173.7 | -163 | -175 | 8.1 | 112.5 | Q109 T117 | Q109-R113 VanDerWaalsContact O-CB 3.31Å; Q109-R113 WeakPolarHBondContact O-CB 3.19Å; Q109-R113 WeakPolarHBondContact O-CG 3.14Å; Q109-R113 PolarHBondContact O-N 2.81Å; R113-T117 VanDerWaalsContact O-CB 3.26Å; R113-T117 WeakPolarHBondContact O-CB 3.33Å; R113-T117 PolarHBondContact O-N 2.77Å; R113-T117 PolarHBondContact O-OG1 2.77Å |
| 114 | G | 87.6 | Confident | 88.5 | Confident | 39 Ų | 39 | 102.4 Ų | 102.4 | 40% | 0.402 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.4 | -45.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | A110 K111 E112 T117 M118 | A110-G114 WeakPolarHBondContact O-CA 3.2Å; A110-G114 PolarHBondContact O-N 3.41Å; K111-G114 PolarHBondContact O-N 2.96Å; E112-G114 VanDerWaalsContact C-N 3.27Å; E112-G114 PolarHBondContact O-N 3.47Å; G114-T117 PolarHBondContact O-N 3.44Å; G114-M118 VanDerWaalsContact O-CB 3.24Å; G114-M118 WeakPolarHBondContact O-CB 3.4Å; G114-M118 PolarHBondContact O-N 2.86Å |
| 115 | Y | 89.1 | Confident | 88.9 | Confident | 134 Ų | 134 | 100.2 Ų | 100.2 | 53% | 0.525 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 174 | -91.6 | -85.1 | 0 | 0 | 0 | 111.4 | K111 E112 M118 V119 | K111-Y115 HydrophobicContact CD-CE2 4.3Å; K111-Y115 HydrophobicContact CG-CD2 3.63Å; K111-Y115 HydrophobicContact CG-CE2 3.69Å; K111-Y115 WeakPolarHBondContact O-CB 3.34Å; K111-Y115 VanDerWaalsContact O-CD2 3.31Å; K111-Y115 WeakPolarHBondContact O-CD2 3.09Å; K111-Y115 PolarHBondContact O-N 3.36Å; E112-Y115 PolarHBondContact O-N 2.96Å; Y115-M118 HydrophobicContact CD1-CE 3.86Å; Y115-M118 HydrophobicContact CE1-CE 4.03Å; Y115-M118 PolarHBondContact O-N 3.04Å; Y115-V119 VanDerWaalsContact O-CB 3.3Å; Y115-V119 WeakPolarHBondContact O-CB 3.47Å; Y115-V119 VanDerWaalsContact O-CG2 3.22Å; Y115-V119 WeakPolarHBondContact O-CG2 3.48Å; Y115-V119 PolarHBondContact O-N 3.33Å |
| 116 | E | 90.2 | Very high | 89.4 | Confident | 122 Ų | 122 | 101.4 Ų | 101.4 | 57% | 0.57 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.9 | -45.9 | 175.8 | -73.6 | -176.3 | 160.8 | 0 | 0 | 111.7 | E112 M118 V119 N120 | E112-E116 WeakPolarHBondContact O-CB 3.42Å; E112-E116 WeakPolarHBondContact O-CG 3.45Å; E112-E116 PolarHBondContact O-N 2.65Å; E116-M118 PolarHBondContact O-N 2.65Å; E116-V119 PolarHBondContact O-N 2.98Å; E116-N120 VanDerWaalsContact O-CB 3.23Å; E116-N120 WeakPolarHBondContact O-CB 3.29Å; E116-N120 PolarHBondContact O-N 3.41Å; E116-N120 PolarHBondContact O-ND2 2.86Å |
| 117 | T | 89.9 | Confident | 90 | Very high | 96 Ų | 96 | 99.9 Ų | 99.9 | 59% | 0.589 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.5 | -45.4 | 177 | -57 | 0 | 0 | 0 | 0 | 110.9 | R113 G114 N120 F121 | R113-T117 VanDerWaalsContact O-CB 3.26Å; R113-T117 WeakPolarHBondContact O-CB 3.33Å; R113-T117 PolarHBondContact O-N 2.77Å; R113-T117 PolarHBondContact O-OG1 2.77Å; G114-T117 PolarHBondContact O-N 3.44Å; T117-N120 PolarHBondContact O-N 3.27Å; T117-F121 VanDerWaalsContact O-CB 3.28Å; T117-F121 WeakPolarHBondContact O-CB 3.11Å; T117-F121 PolarHBondContact O-N 3.32Å |
| 118 | M | 90.5 | Very high | 90.4 | Very high | 117 Ų | 117 | 101.1 Ų | 101.1 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.6 | -41.5 | 177.7 | -175.8 | 178.2 | 67.7 | 0 | 0 | 112.5 | G114 Y115 E116 G122 | G114-M118 VanDerWaalsContact O-CB 3.24Å; G114-M118 WeakPolarHBondContact O-CB 3.4Å; G114-M118 PolarHBondContact O-N 2.86Å; Y115-M118 HydrophobicContact CD1-CE 3.86Å; Y115-M118 HydrophobicContact CE1-CE 4.03Å; Y115-M118 PolarHBondContact O-N 3.04Å; E116-M118 PolarHBondContact O-N 2.65Å; M118-G122 PolarHBondContact O-N 3.13Å |
| 119 | V | 92.9 | Very high | 90.7 | Very high | 62 Ų | 62 | 100.4 Ų | 100.4 | 38% | 0.376 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.8 | -39.2 | 177.6 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | Y115 E116 G122 R123 | Y115-V119 VanDerWaalsContact O-CB 3.3Å; Y115-V119 WeakPolarHBondContact O-CB 3.47Å; Y115-V119 VanDerWaalsContact O-CG2 3.22Å; Y115-V119 WeakPolarHBondContact O-CG2 3.48Å; Y115-V119 PolarHBondContact O-N 3.33Å; E116-V119 PolarHBondContact O-N 2.98Å; V119-G122 PolarHBondContact O-N 2.85Å; V119-R123 HydrophobicContact CG1-CG 4.42Å; V119-R123 WeakPolarHBondContact O-CB 3.03Å; V119-R123 VanDerWaalsContact O-CG 3.27Å; V119-R123 WeakPolarHBondContact O-CG 3.47Å; V119-R123 PolarHBondContact O-N 3.05Å |
| 120 | N | 92.9 | Very high | 91.1 | Very high | 84 Ų | 84 | 99.4 Ų | 99.4 | 45% | 0.449 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.4 | -44.5 | 176.6 | -72.1 | -25.2 | 0 | 0 | 0 | 111.2 | E116 T117 R123 Q124 | E116-N120 VanDerWaalsContact O-CB 3.23Å; E116-N120 WeakPolarHBondContact O-CB 3.29Å; E116-N120 PolarHBondContact O-N 3.41Å; E116-N120 PolarHBondContact O-ND2 2.86Å; T117-N120 PolarHBondContact O-N 3.27Å; N120-R123 PolarHBondContact O-N 2.88Å; N120-Q124 WeakPolarHBondContact O-CB 3.2Å; N120-Q124 VanDerWaalsContact O-CG 3.26Å; N120-Q124 WeakPolarHBondContact O-CG 3.4Å; N120-Q124 PolarHBondContact O-N 2.73Å |
| 121 | F | 90 | Very high | 91.4 | Very high | 155 Ų | 155 | 100.5 Ų | 100.5 | 68% | 0.68 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.4 | -42 | 174.4 | -164.6 | -97.4 | 0 | 0 | 0 | 111.7 | T117 Q124 G125 | T117-F121 VanDerWaalsContact O-CB 3.28Å; T117-F121 WeakPolarHBondContact O-CB 3.11Å; T117-F121 PolarHBondContact O-N 3.32Å; F121-Q124 PolarHBondContact O-N 2.94Å; F121-G125 PolarHBondContact O-N 3.17Å |
| 122 | G | 91.4 | Very high | 91.6 | Very high | 33 Ų | 33 | 97.1 Ų | 97.1 | 34% | 0.34 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M118 V119 G125 L126 | M118-G122 PolarHBondContact O-N 3.13Å; V119-G122 PolarHBondContact O-N 2.85Å; G122-G125 PolarHBondContact O-N 3.4Å; G122-L126 WeakPolarHBondContact O-CB 3.29Å; G122-L126 VanDerWaalsContact O-CG 3.24Å; G122-L126 WeakPolarHBondContact O-CG 3.04Å; G122-L126 PolarHBondContact O-N 3.43Å |
| 123 | R | 93.1 | Very high | 91.9 | Very high | 156 Ų | 156 | 94.7 Ų | 94.7 | 59% | 0.589 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.9 | -39.2 | 175.2 | -76.5 | 173.7 | 176.3 | 174.7 | -0.9 | 112.5 | V119 N120 L126 N127 | V119-R123 HydrophobicContact CG1-CG 4.42Å; V119-R123 WeakPolarHBondContact O-CB 3.03Å; V119-R123 VanDerWaalsContact O-CG 3.27Å; V119-R123 WeakPolarHBondContact O-CG 3.47Å; V119-R123 PolarHBondContact O-N 3.05Å; N120-R123 PolarHBondContact O-N 2.88Å; R123-L126 PolarHBondContact O-N 3.34Å; R123-N127 VanDerWaalsContact O-CB 3.29Å; R123-N127 WeakPolarHBondContact O-CB 3.27Å; R123-N127 VanDerWaalsContact O-CG 3.3Å; R123-N127 PolarHBondContact O-N 2.73Å; R123-N127 PolarHBondContact O-ND2 3.45Å |
| 124 | Q | 92.4 | Very high | 92.2 | Very high | 129 Ų | 129 | 92 Ų | 92 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.9 | -47.3 | 173.9 | -75.6 | 170 | -11.5 | 0 | 0 | 110.8 | N120 F121 N127 L128 | N120-Q124 WeakPolarHBondContact O-CB 3.2Å; N120-Q124 VanDerWaalsContact O-CG 3.26Å; N120-Q124 WeakPolarHBondContact O-CG 3.4Å; N120-Q124 PolarHBondContact O-N 2.73Å; F121-Q124 PolarHBondContact O-N 2.94Å; Q124-N127 PolarHBondContact O-N 3.18Å; Q124-L128 WeakPolarHBondContact O-CB 3.5Å; Q124-L128 PolarHBondContact O-N 2.78Å |
| 125 | G | 91.2 | Very high | 92.4 | Very high | 40 Ų | 40 | 93.1 Ų | 93.1 | 41% | 0.412 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.3 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F121 G122 L128 A129 | F121-G125 PolarHBondContact O-N 3.17Å; G122-G125 PolarHBondContact O-N 3.4Å; G125-L128 PolarHBondContact O-N 3.04Å; G125-A129 VanDerWaalsContact O-CB 3.3Å; G125-A129 WeakPolarHBondContact O-CB 2.73Å; G125-A129 PolarHBondContact O-N 2.9Å |
| 126 | L | 94.8 | Very high | 92.4 | Very high | 124 Ų | 124 | 89.5 Ų | 89.5 | 65% | 0.649 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.4 | -41.1 | 177.9 | -73.7 | 171.5 | 0 | 0 | 0 | 112.7 | G122 R123 A129 A130 | G122-L126 WeakPolarHBondContact O-CB 3.29Å; G122-L126 VanDerWaalsContact O-CG 3.24Å; G122-L126 WeakPolarHBondContact O-CG 3.04Å; G122-L126 PolarHBondContact O-N 3.43Å; R123-L126 PolarHBondContact O-N 3.34Å; L126-A129 PolarHBondContact O-N 3.37Å; L126-A130 VanDerWaalsContact O-CB 3.23Å; L126-A130 WeakPolarHBondContact O-CB 3.27Å; L126-A130 PolarHBondContact O-N 3.08Å |
| 127 | N | 93.6 | Very high | 92.5 | Very high | 107 Ų | 107 | 86.1 Ų | 86.1 | 57% | 0.572 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68 | -38 | 176.3 | -76.5 | -27.3 | 0 | 0 | 0 | 111.7 | R123 Q124 T131 | R123-N127 VanDerWaalsContact O-CB 3.29Å; R123-N127 WeakPolarHBondContact O-CB 3.27Å; R123-N127 VanDerWaalsContact O-CG 3.3Å; R123-N127 PolarHBondContact O-N 2.73Å; R123-N127 PolarHBondContact O-ND2 3.45Å; Q124-N127 PolarHBondContact O-N 3.18Å; N127-T131 VanDerWaalsContact O-CB 3.3Å; N127-T131 WeakPolarHBondContact O-CB 3.4Å; N127-T131 PolarHBondContact O-N 3.48Å; N127-T131 PolarHBondContact O-OG1 3.46Å |
| 128 | L | 92.7 | Very high | 92.4 | Very high | 129 Ų | 129 | 85.9 Ų | 85.9 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.5 | -46.7 | 173.1 | -177.9 | 63.6 | 0 | 0 | 0 | 110.9 | Q124 G125 T131 A132 | Q124-L128 WeakPolarHBondContact O-CB 3.5Å; Q124-L128 PolarHBondContact O-N 2.78Å; G125-L128 PolarHBondContact O-N 3.04Å; L128-T131 PolarHBondContact O-N 2.71Å; L128-A132 VanDerWaalsContact O-CB 3.31Å; L128-A132 WeakPolarHBondContact O-CB 3.44Å; L128-A132 PolarHBondContact O-N 3.36Å |
| 129 | A | 93.6 | Very high | 92.2 | Very high | 56 Ų | 56 | 87.5 Ų | 87.5 | 46% | 0.463 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | G125 L126 A132 A133 | G125-A129 VanDerWaalsContact O-CB 3.3Å; G125-A129 WeakPolarHBondContact O-CB 2.73Å; G125-A129 PolarHBondContact O-N 2.9Å; L126-A129 PolarHBondContact O-N 3.37Å; A129-A132 PolarHBondContact O-N 2.76Å; A129-A133 VanDerWaalsContact O-CB 3.22Å; A129-A133 WeakPolarHBondContact O-CB 3.47Å; A129-A133 PolarHBondContact O-N 3.36Å |
| 130 | A | 95.6 | Very high | 91.5 | Very high | 51 Ų | 51 | 87.5 Ų | 87.5 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L126 A133 V134 | L126-A130 VanDerWaalsContact O-CB 3.23Å; L126-A130 WeakPolarHBondContact O-CB 3.27Å; L126-A130 PolarHBondContact O-N 3.08Å; A130-A133 PolarHBondContact O-N 2.84Å; A130-V134 WeakPolarHBondContact O-CB 3.09Å; A130-V134 VanDerWaalsContact O-CG2 3.32Å; A130-V134 WeakPolarHBondContact O-CG2 3.42Å; A130-V134 PolarHBondContact O-N 3.39Å |
| 131 | T | 92.9 | Very high | 90.6 | Very high | 88 Ų | 88 | 90 Ų | 90 | 54% | 0.54 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 177.2 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | N127 L128 T135 | N127-T131 VanDerWaalsContact O-CB 3.3Å; N127-T131 WeakPolarHBondContact O-CB 3.4Å; N127-T131 PolarHBondContact O-N 3.48Å; N127-T131 PolarHBondContact O-OG1 3.46Å; L128-T131 PolarHBondContact O-N 2.71Å; T131-T135 VanDerWaalsContact O-CB 3.26Å; T131-T135 WeakPolarHBondContact O-CB 3.26Å; T131-T135 PolarHBondContact O-N 3.29Å; T131-T135 PolarHBondContact O-OG1 2.85Å |
| 132 | A | 93.7 | Very high | 89.9 | Confident | 58 Ų | 58 | 84.2 Ų | 84.2 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L128 A129 T135 A136 | L128-A132 VanDerWaalsContact O-CB 3.31Å; L128-A132 WeakPolarHBondContact O-CB 3.44Å; L128-A132 PolarHBondContact O-N 3.36Å; A129-A132 PolarHBondContact O-N 2.76Å; A132-T135 PolarHBondContact O-N 3.06Å; A132-A136 VanDerWaalsContact O-CB 3.31Å; A132-A136 WeakPolarHBondContact O-CB 3.49Å; A132-A136 PolarHBondContact O-N 3.19Å |
| 133 | A | 94.4 | Very high | 88.8 | Confident | 60 Ų | 60 | 84.9 Ų | 84.9 | 50% | 0.496 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A129 A130 A136 A137 | A129-A133 VanDerWaalsContact O-CB 3.22Å; A129-A133 WeakPolarHBondContact O-CB 3.47Å; A129-A133 PolarHBondContact O-N 3.36Å; A130-A133 PolarHBondContact O-N 2.84Å; A133-A136 PolarHBondContact O-N 2.82Å; A133-A137 VanDerWaalsContact O-CB 3.28Å; A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 3.13Å |
| 134 | V | 93.2 | Very high | 87.5 | Confident | 92 Ų | 92 | 82.3 Ų | 82.3 | 56% | 0.558 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.4 | -42.4 | 174.4 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | A130 A136 A137 V138 | A130-V134 WeakPolarHBondContact O-CB 3.09Å; A130-V134 VanDerWaalsContact O-CG2 3.32Å; A130-V134 WeakPolarHBondContact O-CG2 3.42Å; A130-V134 PolarHBondContact O-N 3.39Å; V134-A136 PolarHBondContact O-N 3.36Å; V134-A137 PolarHBondContact O-N 3.49Å; V134-V138 HydrophobicContact CG1-CG2 4.29Å; V134-V138 WeakPolarHBondContact O-CB 3.15Å; V134-V138 WeakPolarHBondContact O-CG2 3.28Å; V134-V138 PolarHBondContact O-N 3.37Å |
| 135 | T | 91.7 | Very high | 86.5 | Confident | 62 Ų | 62 | 78.8 Ų | 78.8 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 177.1 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | T131 A132 K139 | T131-T135 VanDerWaalsContact O-CB 3.26Å; T131-T135 WeakPolarHBondContact O-CB 3.26Å; T131-T135 PolarHBondContact O-N 3.29Å; T131-T135 PolarHBondContact O-OG1 2.85Å; A132-T135 PolarHBondContact O-N 3.06Å; T135-K139 HydrophobicContact CG2-CD 4.17Å; T135-K139 VanDerWaalsContact O-CB 3.31Å; T135-K139 WeakPolarHBondContact O-CB 3.47Å; T135-K139 VanDerWaalsContact O-CG 3.26Å; T135-K139 WeakPolarHBondContact O-CG 3.35Å; T135-K139 PolarHBondContact O-N 2.83Å |
| 136 | A | 90.8 | Very high | 85.2 | Confident | 59 Ų | 59 | 83.7 Ų | 83.7 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | A132 A133 V134 K139 S140 | A132-A136 VanDerWaalsContact O-CB 3.31Å; A132-A136 WeakPolarHBondContact O-CB 3.49Å; A132-A136 PolarHBondContact O-N 3.19Å; A133-A136 PolarHBondContact O-N 2.82Å; V134-A136 PolarHBondContact O-N 3.36Å; A136-K139 PolarHBondContact O-N 3.04Å; A136-S140 VanDerWaalsContact O-CB 3.3Å; A136-S140 WeakPolarHBondContact O-CB 3.38Å; A136-S140 PolarHBondContact O-N 3.46Å; A136-S140 PolarHBondContact O-OG 2.89Å |
| 137 | A | 90.6 | Very high | 83.7 | Confident | 50 Ų | 50 | 86 Ų | 86 | 41% | 0.413 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -50.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | A133 V134 K139 S140 Q141 | A133-A137 VanDerWaalsContact O-CB 3.28Å; A133-A137 WeakPolarHBondContact O-CB 3.33Å; A133-A137 PolarHBondContact O-N 3.13Å; V134-A137 PolarHBondContact O-N 3.49Å; A137-K139 PolarHBondContact O-N 2.98Å; A137-S140 PolarHBondContact O-N 2.88Å; A137-S140 VanDerWaalsContact O-N 3.13Å; A137-S140 PolarHBondContact O-OG 2.86Å; A137-Q141 PolarHBondContact O-N 3.34Å |
| 138 | V | 87.6 | Confident | 82.2 | Confident | 92 Ų | 92 | 86.3 Ų | 86.3 | 56% | 0.558 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 177.9 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | V134 S140 Q141 G142 | V134-V138 HydrophobicContact CG1-CG2 4.29Å; V134-V138 WeakPolarHBondContact O-CB 3.15Å; V134-V138 WeakPolarHBondContact O-CG2 3.28Å; V134-V138 PolarHBondContact O-N 3.37Å; V138-S140 VanDerWaalsContact C-N 3.33Å; V138-S140 PolarHBondContact O-N 3.29Å; V138-Q141 PolarHBondContact O-N 3.02Å; V138-G142 PolarHBondContact O-N 3.2Å |
| 139 | K | 87.1 | Confident | 81 | Confident | 150 Ų | 150 | 88.2 Ų | 88.2 | 65% | 0.652 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.7 | -38.5 | 173.5 | -75.9 | 178.2 | 179.2 | -177.9 | 0 | 112.3 | T135 A136 A137 A143 | T135-K139 HydrophobicContact CG2-CD 4.17Å; T135-K139 VanDerWaalsContact O-CB 3.31Å; T135-K139 WeakPolarHBondContact O-CB 3.47Å; T135-K139 VanDerWaalsContact O-CG 3.26Å; T135-K139 WeakPolarHBondContact O-CG 3.35Å; T135-K139 PolarHBondContact O-N 2.83Å; A136-K139 PolarHBondContact O-N 3.04Å; A137-K139 PolarHBondContact O-N 2.98Å; K139-A143 VanDerWaalsContact O-CB 3.25Å; K139-A143 WeakPolarHBondContact O-CB 3.28Å; K139-A143 PolarHBondContact O-N 2.88Å |
| 140 | S | 77.7 | Confident | 79.5 | Confident | 63 Ų | 63 | 87.4 Ų | 87.4 | 44% | 0.441 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.6 | -41.5 | 178.1 | 78.4 | 0 | 0 | 0 | 0 | 111.8 | A136 A137 V138 A143 I144 | A136-S140 VanDerWaalsContact O-CB 3.3Å; A136-S140 WeakPolarHBondContact O-CB 3.38Å; A136-S140 PolarHBondContact O-N 3.46Å; A136-S140 PolarHBondContact O-OG 2.89Å; A137-S140 PolarHBondContact O-N 2.88Å; A137-S140 VanDerWaalsContact O-N 3.13Å; A137-S140 PolarHBondContact O-OG 2.86Å; V138-S140 VanDerWaalsContact C-N 3.33Å; V138-S140 PolarHBondContact O-N 3.29Å; S140-A143 PolarHBondContact O-N 3.44Å; S140-I144 WeakPolarHBondContact O-CB 3.39Å; S140-I144 WeakPolarHBondContact O-CD1 3.23Å; S140-I144 WeakPolarHBondContact O-CG1 3.49Å; S140-I144 PolarHBondContact O-N 3.48Å |
| 141 | Q | 75.2 | Confident | 77.7 | Confident | 135 Ų | 135 | 91.9 Ų | 91.9 | 63% | 0.631 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.4 | -42.8 | 177 | -168 | -178.7 | -1.5 | 0 | 0 | 110.6 | A137 V138 I144 T145 | A137-Q141 PolarHBondContact O-N 3.34Å; V138-Q141 PolarHBondContact O-N 3.02Å; Q141-I144 PolarHBondContact O-N 2.85Å; Q141-T145 WeakPolarHBondContact O-CG2 3.4Å; Q141-T145 PolarHBondContact O-N 3.45Å |
| 142 | G | 74.9 | Confident | 76.1 | Confident | 34 Ų | 34 | 91.5 Ų | 91.5 | 35% | 0.351 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -54.8 | -55.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V138 I144 T145 E146 | V138-G142 PolarHBondContact O-N 3.2Å; G142-I144 VanDerWaalsContact C-N 3.34Å; G142-I144 PolarHBondContact O-N 2.75Å; G142-T145 PolarHBondContact O-N 3.44Å; G142-T145 VanDerWaalsContact O-N 3.11Å; G142-T145 PolarHBondContact O-OG1 3.31Å; G142-E146 WeakPolarHBondContact O-CB 3.24Å; G142-E146 PolarHBondContact O-N 3.29Å |
| 143 | A | 69.1 | Low | 74.3 | Confident | 47 Ų | 47 | 95.7 Ų | 95.7 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.3 | -40.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K139 S140 E146 R147 | K139-A143 VanDerWaalsContact O-CB 3.25Å; K139-A143 WeakPolarHBondContact O-CB 3.28Å; K139-A143 PolarHBondContact O-N 2.88Å; S140-A143 PolarHBondContact O-N 3.44Å; A143-E146 PolarHBondContact O-N 3.36Å; A143-R147 WeakPolarHBondContact O-CB 3.25Å; A143-R147 WeakPolarHBondContact O-CG 3.16Å; A143-R147 PolarHBondContact O-N 2.86Å |
| 144 | I | 65.7 | Low | 72.6 | Confident | 102 Ų | 102 | 99.3 Ų | 99.3 | 52% | 0.523 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.1 | -43.7 | 175.4 | -69.1 | 162.2 | 0 | 0 | 0 | 110.7 | S140 Q141 G142 E146 R147 L148 | S140-I144 WeakPolarHBondContact O-CB 3.39Å; S140-I144 WeakPolarHBondContact O-CD1 3.23Å; S140-I144 WeakPolarHBondContact O-CG1 3.49Å; S140-I144 PolarHBondContact O-N 3.48Å; Q141-I144 PolarHBondContact O-N 2.85Å; G142-I144 VanDerWaalsContact C-N 3.34Å; G142-I144 PolarHBondContact O-N 2.75Å; I144-E146 VanDerWaalsContact C-N 3.3Å; I144-E146 PolarHBondContact O-N 3.43Å; I144-R147 PolarHBondContact O-N 2.8Å; I144-L148 HydrophobicContact CG2-CD1 3.88Å; I144-L148 HydrophobicContact CG2-CG 4.35Å; I144-L148 WeakPolarHBondContact O-CB 3.18Å; I144-L148 VanDerWaalsContact O-CG 3.27Å; I144-L148 WeakPolarHBondContact O-CG 3.35Å; I144-L148 PolarHBondContact O-N 3.22Å |
| 145 | T | 70.6 | Confident | 70.6 | Confident | 56 Ų | 56 | 99.6 Ų | 99.6 | 34% | 0.344 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.6 | -30.4 | 176.7 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | Q141 G142 R149 | Q141-T145 WeakPolarHBondContact O-CG2 3.4Å; Q141-T145 PolarHBondContact O-N 3.45Å; G142-T145 PolarHBondContact O-N 3.44Å; G142-T145 VanDerWaalsContact O-N 3.11Å; G142-T145 PolarHBondContact O-OG1 3.31Å; T145-R149 WeakPolarHBondContact O-CB 3.26Å; T145-R149 WeakPolarHBondContact O-CG 3.41Å; T145-R149 PolarHBondContact O-N 2.68Å; T145-R149 PolarHBondContact OG1-NH1 2.95Å |
| 146 | E | 63.6 | Low | 68.6 | Low | 142 Ų | 142 | 103.9 Ų | 103.9 | 66% | 0.664 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -73.8 | -40.3 | 175.5 | -167.8 | 167 | -136.1 | 0 | 0 | 111.1 | G142 A143 I144 R149 S150 | G142-E146 WeakPolarHBondContact O-CB 3.24Å; G142-E146 PolarHBondContact O-N 3.29Å; A143-E146 PolarHBondContact O-N 3.36Å; I144-E146 VanDerWaalsContact C-N 3.3Å; I144-E146 PolarHBondContact O-N 3.43Å; E146-R149 PolarHBondContact O-N 2.88Å; E146-S150 WeakPolarHBondContact O-CB 3.33Å; E146-S150 PolarHBondContact O-N 3.15Å; E146-S150 PolarHBondContact O-OG 3.25Å |
| 147 | R | 64.4 | Low | 66.8 | Low | 174 Ų | 174 | 106.8 Ų | 106.8 | 66% | 0.657 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62.1 | -47.1 | 170.5 | -68.9 | -67.8 | 178.8 | -165.9 | -2 | 111.5 | A143 I144 R149 S150 F151 | A143-R147 WeakPolarHBondContact O-CB 3.25Å; A143-R147 WeakPolarHBondContact O-CG 3.16Å; A143-R147 PolarHBondContact O-N 2.86Å; I144-R147 PolarHBondContact O-N 2.8Å; R147-R149 PolarHBondContact O-N 3.36Å; R147-S150 WeakPolarHBondContact CA-OG 3.48Å; R147-S150 PolarHBondContact O-N 2.98Å; R147-S150 VanDerWaalsContact O-N 3.12Å; R147-S150 PolarHBondContact O-OG 2.69Å; R147-F151 VanDerWaalsContact O-CD2 3.26Å; R147-F151 WeakPolarHBondContact O-CD2 3.37Å; R147-F151 PolarHBondContact O-N 2.64Å |
| 148 | L | 61.7 | Low | 64.9 | Low | 112 Ų | 112 | 109.1 Ų | 109.1 | 59% | 0.586 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -60.6 | -42.9 | 176.7 | -73 | 169.9 | 0 | 0 | 0 | 112.1 | I144 F151 S152 | I144-L148 HydrophobicContact CG2-CD1 3.88Å; I144-L148 HydrophobicContact CG2-CG 4.35Å; I144-L148 WeakPolarHBondContact O-CB 3.18Å; I144-L148 VanDerWaalsContact O-CG 3.27Å; I144-L148 WeakPolarHBondContact O-CG 3.35Å; I144-L148 PolarHBondContact O-N 3.22Å; L148-F151 PolarHBondContact O-N 3.15Å; L148-S152 WeakPolarHBondContact O-CB 3.4Å; L148-S152 PolarHBondContact O-N 3.34Å |
| 149 | R | 67.1 | Low | 63.1 | Low | 169 Ų | 169 | 111.5 Ų | 111.5 | 64% | 0.638 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.9 | -40.9 | 171.9 | -76.9 | -173.3 | -171.6 | 91.9 | -4.5 | 112.2 | T145 E146 R147 S152 M153 | T145-R149 WeakPolarHBondContact O-CB 3.26Å; T145-R149 WeakPolarHBondContact O-CG 3.41Å; T145-R149 PolarHBondContact O-N 2.68Å; T145-R149 PolarHBondContact OG1-NH1 2.95Å; E146-R149 PolarHBondContact O-N 2.88Å; R147-R149 PolarHBondContact O-N 3.36Å; R149-S152 PolarHBondContact O-N 2.75Å; R149-M153 WeakPolarHBondContact O-CG 2.98Å; R149-M153 PolarHBondContact O-N 3.26Å; R149-M153 VanDerWaalsContact O-N 3.16Å |
| 150 | S | 61.5 | Low | 61 | Low | 39 Ų | 39 | 113.7 Ų | 113.7 | 27% | 0.273 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.5 | -45.7 | 177.4 | 72.6 | 0 | 0 | 0 | 0 | 111.8 | E146 R147 M153 H154 | E146-S150 WeakPolarHBondContact O-CB 3.33Å; E146-S150 PolarHBondContact O-N 3.15Å; E146-S150 PolarHBondContact O-OG 3.25Å; R147-S150 WeakPolarHBondContact CA-OG 3.48Å; R147-S150 PolarHBondContact O-N 2.98Å; R147-S150 VanDerWaalsContact O-N 3.12Å; R147-S150 PolarHBondContact O-OG 2.69Å; S150-M153 PolarHBondContact O-N 2.86Å; S150-H154 PolarHBondContact O-N 3.28Å; S150-H154 PolarHBondContact O-ND1 3.23Å |
| 151 | F | 58.4 | Low | 59.3 | Low | 146 Ų | 146 | 114.6 Ų | 114.6 | 64% | 0.64 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.5 | -44.5 | 177 | -81.7 | -68.6 | 0 | 0 | 0 | 111.7 | R147 L148 M153 H154 D155 | R147-F151 VanDerWaalsContact O-CD2 3.26Å; R147-F151 WeakPolarHBondContact O-CD2 3.37Å; R147-F151 PolarHBondContact O-N 2.64Å; L148-F151 PolarHBondContact O-N 3.15Å; F151-M153 PolarHBondContact O-N 3.15Å; F151-H154 PolarHBondContact O-N 2.86Å; F151-D155 PolarHBondContact O-N 3Å |
| 152 | S | 58.7 | Low | 57.8 | Low | 80 Ų | 80 | 115.8 Ų | 115.8 | 56% | 0.559 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -64.8 | -20.4 | 179.1 | -172.1 | 0 | 0 | 0 | 0 | 114.9 | L148 R149 | L148-S152 WeakPolarHBondContact O-CB 3.4Å; L148-S152 PolarHBondContact O-N 3.34Å; R149-S152 PolarHBondContact O-N 2.75Å |
| 153 | M | 55.5 | Low | 56.3 | Low | 146 Ų | 146 | 122.4 Ų | 122.4 | 72% | 0.719 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -97.1 | -28.3 | 177.4 | -72.7 | -77.9 | -83 | 0 | 0 | 112.8 | R149 S150 F151 | R149-M153 WeakPolarHBondContact O-CG 2.98Å; R149-M153 PolarHBondContact O-N 3.26Å; R149-M153 VanDerWaalsContact O-N 3.16Å; S150-M153 PolarHBondContact O-N 2.86Å; F151-M153 PolarHBondContact O-N 3.15Å |
| 154 | H | 59.8 | Low | 55.1 | Low | 136 Ų | 136 | 124.8 Ų | 124.8 | 63% | 0.63 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -81 | -29 | 179.8 | -72.3 | 70.5 | 0 | 0 | 0 | 112.8 | S150 F151 T157 T158 | S150-H154 PolarHBondContact O-N 3.28Å; S150-H154 PolarHBondContact O-ND1 3.23Å; F151-H154 PolarHBondContact O-N 2.86Å; H154-T157 PolarHBondContact O-OG1 2.94Å; H154-T158 PolarHBondContact O-OG1 2.72Å |
| 155 | D | 51.7 | Low | 53.8 | Low | 98 Ų | 98 | 126.9 Ų | 126.9 | 52% | 0.524 | 67% | 0.668 | S | S | . | * | G | 310 helix | trans | -85.8 | -10.6 | -177.2 | -131 | -8.7 | 0 | 0 | 0 | 114 | F151 T157 T158 | F151-D155 PolarHBondContact O-N 3Å; D155-T157 VanDerWaalsContact C-N 3.32Å; D155-T158 PolarHBondContact O-OG1 3.28Å; D155-T158 PolarHBondContact OD1-OG1 3.37Å |
| 156 | L | 48.1 | Very low | 52.2 | Low | 151 Ų | 151 | 127.3 Ų | 127.3 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -82.5 | -8.3 | 174.4 | -121.7 | 77.8 | 0 | 0 | 0 | 113.5 | ||
| 157 | T | 52.8 | Low | 51 | Low | 120 Ų | 120 | 130 Ų | 130 | 74% | 0.736 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -98.7 | -0.2 | 177.7 | 47.1 | 0 | 0 | 0 | 0 | 114.1 | H154 D155 | H154-T157 PolarHBondContact O-OG1 2.94Å; D155-T157 VanDerWaalsContact C-N 3.32Å |
| 158 | T | 52.5 | Low | 49.8 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 61% | 0.607 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -118.5 | -4.5 | -169.5 | 30.3 | 0 | 0 | 0 | 0 | 115.1 | H154 D155 | H154-T158 PolarHBondContact O-OG1 2.72Å; D155-T158 PolarHBondContact O-OG1 3.28Å; D155-T158 PolarHBondContact OD1-OG1 3.37Å |
| 159 | I | 49.2 | Very low | 48.8 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 73% | 0.728 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -111.7 | -4.1 | -172.6 | -68.1 | 178.9 | 0 | 0 | 0 | 113.9 | ||
| 160 | Q | 43.7 | Very low | 47.5 | Very low | 197 Ų | 197 | 135.1 Ų | 135.1 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | trans | -120.7 | 87.4 | 177.7 | -163.5 | 164.1 | 13.4 | 0 | 0 | 111.7 | ||||
| 161 | G | 41.8 | Very low | 46.7 | Very low | 81 Ų | 81 | 141.4 Ų | 141.4 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | -166.2 | 60 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 162 | D | 43.1 | Very low | 46 | Very low | 160 Ų | 160 | 139.4 Ų | 139.4 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | trans | -91.9 | 109.4 | 177.6 | -127.2 | -23.2 | 0 | 0 | 0 | 110.3 | ||||
| 163 | E | 43.2 | Very low | 45.6 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | trans | 44.9 | 165.1 | 163.5 | -84.5 | -148.1 | 94.2 | 0 | 0 | 122 | ||||
| 164 | P | 44.4 | Very low | 45.2 | Very low | 96 Ų | 96 | 141 Ų | 141 | 62% | 0.623 | 76% | 0.76 | S | S | * | * | cis | -130.7 | -172.7 | -15.1 | 27.3 | -3.9 | 0 | 0 | 0 | 114.1 | ||||
| 165 | V | 37.4 | Very low | 44.5 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | trans | 77.3 | 123.4 | 159.2 | -166.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 166 | G | 37.8 | Very low | 44.1 | Very low | 65 Ų | 65 | 139.4 Ų | 139.4 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | trans | 134.3 | 94.5 | 142.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 167 | Q | 37.6 | Very low | 43.9 | Very low | 200 Ų | 200 | 139.4 Ų | 139.4 | 94% | 0.935 | 76% | 0.755 | S | S | * | * | trans | 58.2 | 114.8 | 147.2 | -69.3 | 175.7 | -18 | 0 | 0 | 122.6 | ||||
| 168 | R | 39.6 | Very low | 43.6 | Very low | 240 Ų | 240 | 142.8 Ų | 142.8 | 91% | 0.906 | 76% | 0.76 | S | S | * | * | trans | -71.5 | -179.7 | 149.5 | -75.5 | -176.3 | 177.9 | 176.5 | 0.8 | 111.2 | ||||
| 169 | P | 42.1 | Very low | 43 | Very low | 96 Ų | 96 | 146.7 Ų | 146.7 | 62% | 0.623 | 77% | 0.768 | S | S | * | * | cis | -135.5 | 168.7 | 2.3 | 22.1 | 3.5 | 0 | 0 | 0 | 116.7 | ||||
| 170 | Y | 39.4 | Very low | 42.6 | Very low | 226 Ų | 226 | 144.5 Ų | 144.5 | 89% | 0.886 | 77% | 0.766 | S | S | * | * | 169.8 | 159.6 | 113.5 | -97.6 | -75.8 | 0 | 0 | 0 | 113.6 | |||||
| 171 | Q | 43.4 | Very low | 42.7 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 80% | 0.799 | 76% | 0.764 | S | S | * | * | trans | -108.5 | -170.5 | -170 | -121 | -175.6 | 5.6 | 0 | 0 | 110.4 | ||||
| 172 | P | 44.8 | Very low | 42.6 | Very low | 104 Ų | 104 | 146.2 Ų | 146.2 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | cis | -137.8 | 179.4 | -13.6 | 28.8 | -4.9 | 0 | 0 | 0 | 116.7 | ||||
| 173 | L | 49.4 | Very low | 42.6 | Very low | 142 Ų | 142 | 142.9 Ų | 142.9 | 74% | 0.743 | 75% | 0.753 | S | S | * | * | trans | -17.8 | 163.4 | 151.9 | -94.7 | 91.4 | 0 | 0 | 0 | 119.1 | ||||
| 174 | P | 48.4 | Very low | 42.5 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | cis | -143.9 | -175.7 | 40.9 | 46 | -26.8 | 0 | 0 | 0 | 115.9 | ||||
| 175 | E | 44.4 | Very low | 42.2 | Very low | 128 Ų | 128 | 140.4 Ų | 140.4 | 60% | 0.598 | 75% | 0.754 | S | S | * | * | cis | -138.5 | -127.8 | 2.5 | -147.9 | -134 | 57.9 | 0 | 0 | 114.1 | K177 | E175-K177 WeakPolarHBondContact OE1-CD 3.42Å; E175-K177 WeakPolarHBondContact OE1-CE 3.13Å; E175-K177 IonicContact OE1-NZ 2.71Å; E175-K177 PolarHBondContact OE1-NZ 3.39Å; E175-K177 IonicContact OE2-NZ 2.63Å; E175-K177 PolarHBondContact OE2-NZ 3.36Å | ||
| 176 | A | 42.6 | Very low | 42.2 | Very low | 72 Ų | 72 | 142.4 Ų | 142.4 | 60% | 0.595 | 75% | 0.754 | S | S | * | * | trans | -159.3 | -177.1 | -158 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 177 | K | 45.4 | Very low | 42.2 | Very low | 150 Ų | 150 | 144.9 Ų | 144.9 | 65% | 0.652 | 76% | 0.761 | S | S | * | * | trans | 85.2 | 147.7 | 171.5 | -53 | 137.2 | -171.9 | 163.7 | 0 | 113.7 | E175 | E175-K177 WeakPolarHBondContact OE1-CD 3.42Å; E175-K177 WeakPolarHBondContact OE1-CE 3.13Å; E175-K177 IonicContact OE1-NZ 2.71Å; E175-K177 PolarHBondContact OE1-NZ 3.39Å; E175-K177 IonicContact OE2-NZ 2.63Å; E175-K177 PolarHBondContact OE2-NZ 3.36Å | ||
| 178 | K | 45.2 | Very low | 42.5 | Very low | 192 Ų | 192 | 140.1 Ų | 140.1 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | cis | -168.2 | 160 | -10.8 | -101.4 | 166.1 | -176.4 | 175.7 | 0 | 106.4 | ||||
| 179 | K | 40.3 | Very low | 42.5 | Very low | 180 Ų | 180 | 132.2 Ų | 132.2 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | cis | -178.5 | 144.3 | -25.8 | -177.3 | -165.4 | 174.5 | -175.4 | 0 | 108.6 | ||||
| 180 | S | 41.3 | Very low | 42.7 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | trans | 65.9 | 149.6 | 159.7 | 42.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 181 | K | 45.3 | Very low | 43 | Very low | 203 Ų | 203 | 131 Ų | 131 | 88% | 0.883 | 75% | 0.751 | S | S | * | * | cis | -156.7 | 172.2 | -1.3 | -117.8 | -176.2 | 174.2 | -169.8 | 0 | 109.9 | ||||
| 182 | P | 39.4 | Very low | 43.5 | Very low | 111 Ų | 111 | 130 Ų | 130 | 72% | 0.721 | 75% | 0.75 | S | S | * | * | trans | -119.4 | 168.6 | -157.1 | 43.9 | -37.1 | 0 | 0 | 0 | 118.4 | ||||
| 183 | A | 42.9 | Very low | 43.7 | Very low | 89 Ų | 89 | 130.6 Ų | 130.6 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | trans | 64.9 | 168.7 | 138.7 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 184 | P | 42.4 | Very low | 43.4 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 71% | 0.708 | 76% | 0.761 | S | S | * | * | cis | -135.1 | 176.1 | -31.4 | 31.4 | -12 | 0 | 0 | 0 | 115 | ||||
| 185 | S | 37.5 | Very low | 43.4 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | 61.4 | 158.6 | 151.2 | 58.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 186 | E | 37.1 | Very low | 43.1 | Very low | 188 Ų | 188 | 137.5 Ų | 137.5 | 88% | 0.879 | 78% | 0.779 | S | S | * | * | cis | -140 | 175.4 | 22.3 | -74.5 | 178 | 89.8 | 0 | 0 | 113.7 | ||||
| 187 | S | 37.9 | Very low | 43.2 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -94.1 | 130.7 | -179.6 | 53.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 188 | A | 43.2 | Very low | 42.9 | Very low | 99 Ų | 99 | 137.9 Ų | 137.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -161 | 142.1 | 151.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 189 | G | 40.4 | Very low | 42.8 | Very low | 74 Ų | 74 | 137.6 Ų | 137.6 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | cis | 118.7 | 46.7 | 26.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | G191 | G189-G191 PolarHBondContact O-N 2.91Š| ||
| 190 | Y | 46.4 | Very low | 42.9 | Very low | 235 Ų | 235 | 136.3 Ų | 136.3 | 92% | 0.922 | 79% | 0.79 | S | S | * | * | trans | -78.3 | 86.5 | -175.4 | -99.1 | -88.3 | 0 | 0 | 0 | 112.1 | ||||
| 191 | G | 46.1 | Very low | 42.9 | Very low | 62 Ų | 62 | 138 Ų | 138 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 131.1 | 157.1 | 0 | 0 | 0 | 0 | 0 | 110 | G189 P193 | G189-G191 PolarHBondContact O-N 2.91Å; G191-P193 WeakPolarHBondContact O-CD 3.34Å |
| 192 | I | 52.4 | Low | 42.8 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 119.9 | 175.8 | -63 | 180 | 0 | 0 | 0 | 109.2 | ||
| 193 | P | 49.6 | Very low | 43.1 | Very low | 115 Ų | 115 | 138 Ų | 138 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 121.7 | 167.9 | 0.9 | 19.2 | 0 | 0 | 0 | 109.6 | G191 | G191-P193 WeakPolarHBondContact O-CD 3.34Š|
| 194 | L | 44.5 | Very low | 43.2 | Very low | 170 Ų | 170 | 143 Ų | 143 | 89% | 0.89 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 131.7 | 156.6 | -74.4 | 94 | 0 | 0 | 0 | 108 | ||
| 195 | K | 47.1 | Very low | 43.2 | Very low | 198 Ų | 198 | 142.1 Ų | 142.1 | 86% | 0.861 | 80% | 0.804 | S | S | * | * | trans | -122.7 | 101.3 | 171.2 | -171.3 | 179.2 | 179.4 | -169.5 | 0 | 109.2 | ||||
| 196 | D | 39.1 | Very low | 43.3 | Very low | 166 Ų | 166 | 146.2 Ų | 146.2 | 89% | 0.888 | 81% | 0.81 | S | S | * | * | trans | -62.5 | 139.3 | 154.1 | -82.6 | -53.1 | 0 | 0 | 0 | 108.5 | ||||
| 197 | G | 43.4 | Very low | 43.3 | Very low | 66 Ų | 66 | 140.8 Ų | 140.8 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | -164.8 | 77 | -172.8 | 0 | 0 | 0 | 0 | 0 | 110 | E199 | G197-E199 PolarHBondContact O-N 2.99Š| ||
| 198 | D | 40.7 | Very low | 43.5 | Very low | 164 Ų | 164 | 141.1 Ų | 141.1 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | -70.2 | 108 | 172.1 | -168.9 | 6.2 | 0 | 0 | 0 | 108.4 | ||||
| 199 | E | 42 | Very low | 43.5 | Very low | 185 Ų | 185 | 147.3 Ų | 147.3 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | -140.7 | 128.7 | 170.2 | -138.6 | 166.3 | 119.9 | 0 | 0 | 111.5 | G197 | G197-E199 PolarHBondContact O-N 2.99Š| ||
| 200 | K | 42.4 | Very low | 43.6 | Very low | 154 Ų | 154 | 147.3 Ų | 147.3 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | -105.2 | 122.6 | -166 | 175.1 | -174 | -175.5 | -74.7 | 0 | 108.7 | D202 | K200-D202 VanDerWaalsContact NZ-CG 3.27Å; K200-D202 IonicContact NZ-OD1 2.96Å; K200-D202 PolarHBondContact NZ-OD1 2.84Å; K200-D202 IonicContact NZ-OD2 2.72Å; K200-D202 PolarHBondContact NZ-OD2 2.98Å | ||
| 201 | T | 41.8 | Very low | 43.4 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | -130.8 | 120.8 | 166.8 | -36.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 202 | D | 43 | Very low | 43.4 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 62% | 0.615 | 80% | 0.798 | S | S | * | * | trans | -85.3 | 130.9 | 177.7 | -50.8 | -85.9 | 0 | 0 | 0 | 109.3 | K200 | K200-D202 VanDerWaalsContact NZ-CG 3.27Å; K200-D202 IonicContact NZ-OD1 2.96Å; K200-D202 PolarHBondContact NZ-OD1 2.84Å; K200-D202 IonicContact NZ-OD2 2.72Å; K200-D202 PolarHBondContact NZ-OD2 2.98Å | ||
| 203 | E | 46.1 | Very low | 42.8 | Very low | 199 Ų | 199 | 149.8 Ų | 149.8 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -135.7 | 110.3 | 155.3 | -79.2 | -161.9 | 131.7 | 0 | 0 | 109.2 | ||||
| 204 | E | 43.3 | Very low | 42.5 | Very low | 193 Ų | 193 | 152 Ų | 152 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | trans | -79.5 | 138.9 | 167.3 | -59.7 | 175.1 | 102.6 | 0 | 0 | 109.3 | ||||
| 205 | A | 42.6 | Very low | 42.4 | Very low | 91 Ų | 91 | 149.8 Ų | 149.8 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | -177.5 | 146.9 | 135.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 206 | E | 40.6 | Very low | 42.4 | Very low | 194 Ų | 194 | 147.6 Ų | 147.6 | 91% | 0.907 | 80% | 0.8 | S | S | * | * | trans | 69.7 | 92.8 | 153.9 | -47 | -131.6 | 128.9 | 0 | 0 | 120.8 | ||||
| 207 | G | 37.4 | Very low | 42.8 | Very low | 74 Ų | 74 | 147.3 Ų | 147.3 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | -124.4 | -178 | 119.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 208 | P | 42 | Very low | 42.7 | Very low | 125 Ų | 125 | 153.6 Ų | 153.6 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | cis | -135.2 | -176.8 | 7.3 | 41.8 | -24.2 | 0 | 0 | 0 | 114.8 | ||||
| 209 | Y | 42.8 | Very low | 42.8 | Very low | 229 Ų | 229 | 148.7 Ų | 148.7 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -142.8 | 103.4 | 161.5 | -125.7 | -99.3 | 0 | 0 | 0 | 107.4 | ||||
| 210 | S | 42.3 | Very low | 43 | Very low | 75 Ų | 75 | 148.1 Ų | 148.1 | 52% | 0.524 | 79% | 0.792 | S | S | . | * | 91.3 | 100.1 | 84.1 | -175.4 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 211 | D | 42 | Very low | 42.9 | Very low | 132 Ų | 132 | 150.1 Ų | 150.1 | 71% | 0.706 | 80% | 0.796 | S | S | * | * | trans | 55.6 | 117.5 | 135.2 | -45.4 | -52.8 | 0 | 0 | 0 | 121.4 | ||||
| 212 | N | 45.7 | Very low | 42.7 | Very low | 164 Ų | 164 | 154.2 Ų | 154.2 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | -176.1 | 86.4 | 122.7 | -99 | -66.6 | 0 | 0 | 0 | 110.9 | |||||
| 213 | E | 41.4 | Very low | 42.8 | Very low | 203 Ų | 203 | 153.3 Ų | 153.3 | 95% | 0.949 | 80% | 0.799 | S | S | * | * | trans | -118.2 | 119.2 | 156.8 | -94.4 | -164.8 | 99 | 0 | 0 | 108.7 | ||||
| 214 | M | 43.3 | Very low | 43 | Very low | 161 Ų | 161 | 152.6 Ų | 152.6 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | trans | -131 | 125.4 | 174.3 | -167.4 | 171.4 | 79.8 | 0 | 0 | 110 | ||||
| 215 | L | 41.1 | Very low | 43.1 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | trans | 61.7 | 97.9 | 166.1 | -64.2 | 158.1 | 0 | 0 | 0 | 117.5 | ||||
| 216 | T | 46.7 | Very low | 43.1 | Very low | 153 Ų | 153 | 151.6 Ų | 151.6 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | -151 | 121.2 | 113.5 | 12 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 217 | H | 49.2 | Very low | 43 | Very low | 159 Ų | 159 | 152.3 Ų | 152.3 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -58.3 | 139.6 | -174.7 | -97.3 | -91.6 | 0 | 0 | 0 | 115.9 | ||||
| 218 | K | 40.9 | Very low | 43.2 | Very low | 198 Ų | 198 | 154.2 Ų | 154.2 | 86% | 0.861 | 79% | 0.79 | S | S | * | * | 78 | 106.9 | 121 | -169.6 | -176.7 | -173.4 | 179.1 | 0 | 118.9 | |||||
| 219 | G | 41.6 | Very low | 43.5 | Very low | 62 Ų | 62 | 154.6 Ų | 154.6 | 64% | 0.639 | 79% | 0.789 | S | S | * | * | trans | 161.7 | 102.9 | 148.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 220 | L | 46.5 | Very low | 43.2 | Very low | 172 Ų | 172 | 152.8 Ų | 152.8 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | trans | 65.4 | 158.5 | 157.3 | -71.3 | 72.9 | 0 | 0 | 0 | 119 | ||||
| 221 | R | 41 | Very low | 43.2 | Very low | 196 Ų | 196 | 156 Ų | 156 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | cis | -173.5 | 121.6 | -39.4 | -158.1 | -166.1 | 178.8 | -163.2 | 3.3 | 108.3 | ||||
| 222 | R | 38.1 | Very low | 43.3 | Very low | 219 Ų | 219 | 155.7 Ų | 155.7 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | 65.8 | 161.2 | 152.8 | -147.1 | 175 | -161.1 | -175.9 | 4.3 | 117.4 | ||||
| 223 | S | 44.8 | Very low | 43 | Very low | 96 Ų | 96 | 157.9 Ų | 157.9 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | cis | -171.2 | 157.7 | -49.8 | -169.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 224 | Q | 49.9 | Very low | 42.9 | Very low | 184 Ų | 184 | 152.1 Ų | 152.1 | 86% | 0.86 | 80% | 0.802 | S | S | * | * | trans | 71.9 | 155.8 | 165.8 | -60.3 | -165.2 | -4.2 | 0 | 0 | 119 | ||||
| 225 | S | 45.3 | Very low | 42.7 | Very low | 93 Ų | 93 | 156.1 Ų | 156.1 | 65% | 0.65 | 81% | 0.809 | S | S | * | * | cis | -173.2 | 162.4 | -26.1 | -170 | 0 | 0 | 0 | 0 | 111 | ||||
| 226 | M | 43.7 | Very low | 42.8 | Very low | 170 Ų | 170 | 159.2 Ų | 159.2 | 84% | 0.837 | 82% | 0.817 | S | S | * | * | trans | 67.1 | 130.7 | 166.1 | -50.6 | -159.3 | 161.5 | 0 | 0 | 118.3 | ||||
| 227 | K | 36.6 | Very low | 42.7 | Very low | 209 Ų | 209 | 160.5 Ų | 160.5 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | cis | 88.5 | 96 | 40.2 | -76.8 | -168.6 | 175.3 | -177.3 | 0 | 116.3 | ||||
| 228 | S | 43.2 | Very low | 42.3 | Very low | 115 Ų | 115 | 159.2 Ų | 159.2 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | trans | -164.1 | 129.5 | 138.8 | 67.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 229 | V | 46.8 | Very low | 42.4 | Very low | 133 Ų | 133 | 161.1 Ų | 161.1 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | 83.8 | 81.1 | 58.4 | -177.4 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 230 | K | 37.2 | Very low | 42.3 | Very low | 190 Ų | 190 | 168.9 Ų | 168.9 | 83% | 0.826 | 83% | 0.828 | S | S | * | * | 41.7 | 105 | 121.2 | -165.4 | -178.5 | -172.2 | 179.4 | 0 | 119.1 | |||||
| 231 | T | 42.6 | Very low | 42.3 | Very low | 144 Ų | 144 | 163.8 Ų | 163.8 | 88% | 0.883 | 82% | 0.817 | S | S | * | * | trans | -141.2 | 154.8 | 146.4 | 59.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 232 | T | 44.4 | Very low | 42.6 | Very low | 124 Ų | 124 | 159.5 Ų | 159.5 | 76% | 0.761 | 82% | 0.817 | S | S | * | * | trans | -105.8 | 167 | -164.9 | -57.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 233 | K | 39.3 | Very low | 43.2 | Very low | 211 Ų | 211 | 157 Ų | 157 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | 80.9 | 110.3 | 161.5 | -99.1 | 169.4 | 179.7 | 174.7 | 0 | 117.6 | ||||
| 234 | G | 38.7 | Very low | 43.3 | Very low | 81 Ų | 81 | 161.7 Ų | 161.7 | 84% | 0.835 | 83% | 0.828 | S | S | * | * | trans | -160.3 | 85.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 235 | R | 39 | Very low | 43 | Very low | 246 Ų | 246 | 164 Ų | 164 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | trans | -81.8 | 116.8 | 174.9 | 171.8 | -171.4 | -177.2 | -176.9 | 2.8 | 109.6 | ||||
| 236 | K | 44.4 | Very low | 43.2 | Very low | 188 Ų | 188 | 168.8 Ų | 168.8 | 82% | 0.817 | 84% | 0.839 | S | S | * | * | trans | -173.1 | 123.6 | 151.2 | -107.9 | 159.7 | -175 | -176.5 | 0 | 114.5 | ||||
| 237 | E | 44.2 | Very low | 43.4 | Very low | 180 Ų | 180 | 167 Ų | 167 | 84% | 0.841 | 84% | 0.838 | S | S | * | * | trans | 45.6 | 131.7 | 141.6 | -62.7 | -177.9 | 147.2 | 0 | 0 | 122.9 | ||||
| 238 | V | 41 | Very low | 44.1 | Very low | 132 Ų | 132 | 166.3 Ų | 166.3 | 80% | 0.8 | 84% | 0.835 | S | S | * | * | trans | -71.9 | 128.6 | 165 | 175.2 | 0 | 0 | 0 | 0 | 110.1 | Y240 | V238-Y240 HydrophobicContact CG1-CD2 4.19Š| ||
| 239 | R | 42.7 | Very low | 44.7 | Very low | 239 Ų | 239 | 170 Ų | 170 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | -140.7 | 98.6 | 166.6 | -158.5 | 177.1 | -154.8 | 170.7 | 8.4 | 110.8 | G241 | R239-G241 PolarHBondContact O-N 3.24Š| ||
| 240 | Y | 38.4 | Very low | 45.2 | Very low | 225 Ų | 225 | 175 Ų | 175 | 88% | 0.882 | 84% | 0.841 | S | S | * | * | trans | -69.8 | 110.3 | 172 | -100 | -95 | 0 | 0 | 0 | 109.9 | V238 | V238-Y240 HydrophobicContact CG1-CD2 4.19Š| ||
| 241 | G | 47.1 | Very low | 46.1 | Very low | 64 Ų | 64 | 171.8 Ų | 171.8 | 66% | 0.66 | 84% | 0.839 | S | S | * | * | trans | -88.3 | 117.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R239 L243 | R239-G241 PolarHBondContact O-N 3.24Å; G241-L243 PolarHBondContact O-N 3.5Å | ||
| 242 | S | 46.6 | Very low | 46.5 | Very low | 107 Ų | 107 | 172.2 Ų | 172.2 | 75% | 0.748 | 83% | 0.831 | S | S | * | * | trans | -67.7 | 120.9 | 169.9 | 179.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 243 | L | 50.8 | Low | 47.1 | Very low | 167 Ų | 167 | 171.6 Ų | 171.6 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | -105.5 | 109.1 | 163.3 | -99.7 | 89.5 | 0 | 0 | 0 | 110.2 | G241 Y245 | G241-L243 PolarHBondContact O-N 3.5Å; L243-Y245 PolarHBondContact O-N 3.03Å | ||
| 244 | K | 47.5 | Very low | 47.8 | Very low | 194 Ų | 194 | 171 Ų | 171 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | trans | -70.5 | 119.7 | 171 | -63.8 | -177.1 | 177.7 | -175.5 | 0 | 109.9 | K246 | K244-K246 PolarHBondContact O-N 3.38Š| ||
| 245 | Y | 43.7 | Very low | 49.1 | Very low | 231 Ų | 231 | 179.8 Ų | 179.8 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | trans | -76.2 | 109.5 | 172.6 | -135.5 | -93.1 | 0 | 0 | 0 | 110.2 | L243 | L243-Y245 PolarHBondContact O-N 3.03Š| ||
| 246 | K | 48.8 | Very low | 49.6 | Very low | 194 Ų | 194 | 176.5 Ų | 176.5 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | trans | -88.4 | 109.5 | -178.7 | -158 | -178.3 | -172.3 | -177.5 | 0 | 109.6 | K244 K248 | K244-K246 PolarHBondContact O-N 3.38Å; K246-K248 PolarHBondContact O-N 3.26Å | ||
| 247 | V | 48.6 | Very low | 49.8 | Very low | 133 Ų | 133 | 175.9 Ų | 175.9 | 81% | 0.806 | 83% | 0.832 | S | S | * | * | trans | -62 | 119.6 | 174.7 | 174.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 248 | K | 52.2 | Low | 50.1 | Low | 194 Ų | 194 | 175.7 Ų | 175.7 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | trans | -109.4 | 103.6 | 174.3 | -169.5 | 173.7 | -177.6 | 178.9 | 0 | 109.6 | K246 | K246-K248 PolarHBondContact O-N 3.26Š| ||
| 249 | K | 55.9 | Low | 50.7 | Low | 193 Ų | 193 | 178.2 Ų | 178.2 | 84% | 0.839 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 139.4 | 167.6 | -77.2 | -178.7 | 173 | -179.8 | 0 | 109.7 | ||
| 250 | R | 55.5 | Low | 51.2 | Low | 238 Ų | 238 | 174.4 Ų | 174.4 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 148.4 | 158.4 | -70.3 | -170.5 | -178.9 | -134 | 3.7 | 109.2 | ||
| 251 | P | 57.3 | Low | 52 | Low | 122 Ų | 122 | 171.1 Ų | 171.1 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 156.2 | 177.8 | -9.2 | 26.6 | 0 | 0 | 0 | 112.3 | ||
| 252 | Q | 49.6 | Very low | 52.4 | Low | 154 Ų | 154 | 178.7 Ų | 178.7 | 72% | 0.72 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -61 | 146.4 | 159.3 | -82.9 | -91.4 | 8.9 | 0 | 0 | 110.2 | Y254 | Q252-Y254 HydrophobicContact CB-CE2 4.39Š|
| 253 | V | 58.2 | Low | 52.8 | Low | 110 Ų | 110 | 184.2 Ų | 184.2 | 67% | 0.667 | 85% | 0.845 | S | S | * | * | trans | -117.6 | 118.3 | 165.3 | -179.5 | 0 | 0 | 0 | 0 | 106.5 | F255 | V253-F255 HydrophobicContact CG1-CD2 3.91Å; V253-F255 HydrophobicContact CG1-CE2 3.75Å | ||
| 254 | Y | 53.6 | Low | 53 | Low | 199 Ų | 199 | 185.7 Ų | 185.7 | 78% | 0.78 | 84% | 0.842 | S | S | * | * | trans | -90.1 | 139.1 | 168.1 | -77.7 | -95.1 | 0 | 0 | 0 | 109.2 | Q252 | Q252-Y254 HydrophobicContact CB-CE2 4.39Š| ||
| 255 | F | 65.4 | Low | 53.5 | Low | 266 Ų | 266 | 184.9 Ų | 184.9 | 100% | 1.167 | 84% | 0.842 | S | S | * | * | trans | -134.6 | 0 | 155.2 | -80.2 | -75.8 | 0 | 0 | 0 | 106.7 | V253 | V253-F255 HydrophobicContact CG1-CD2 3.91Å; V253-F255 HydrophobicContact CG1-CE2 3.75Å |
Retrieved 255 of 255 residues in 44 ms
(Link to these results)