| 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 | 59.6 | Low | 67.8 | Low | 207 Ų | 207 | 90.5 Ų | 90.5 | 100% | 1.02 | 47% | 0.47 | S | S | * | . | 0 | -52 | 0 | -61.2 | -170 | 115.4 | 0 | 0 | 112.2 | S3 W4 M5 | M1-S3 PolarHBondContact O-N 2.67Å; M1-W4 PolarHBondContact O-N 3.44Å; M1-M5 PolarHBondContact O-N 2.94Å | |||
| 2 | V | 60.8 | Low | 68.3 | Low | 105 Ų | 105 | 89.8 Ų | 89.8 | 64% | 0.636 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.1 | -41.7 | -179.7 | -178.7 | 0 | 0 | 0 | 0 | 113.3 | W4 M5 I6 | V2-W4 VanDerWaalsContact C-N 3.32Å; V2-W4 PolarHBondContact O-N 2.97Å; V2-M5 PolarHBondContact O-N 2.7Å; V2-I6 HydrophobicContact CG1-CD1 3.61Å; V2-I6 HydrophobicContact CG1-CG1 4.24Å; V2-I6 WeakPolarHBondContact O-CG1 3.29Å; V2-I6 PolarHBondContact O-N 2.94Å |
| 3 | S | 62.7 | Low | 68.7 | Low | 59 Ų | 59 | 88.6 Ų | 88.6 | 41% | 0.413 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59 | -37.9 | 177.8 | 178.6 | 0 | 0 | 0 | 0 | 113.5 | M1 I6 S7 | M1-S3 PolarHBondContact O-N 2.67Å; S3-I6 PolarHBondContact O-N 2.98Å; S3-S7 WeakPolarHBondContact O-CB 3.48Å; S3-S7 PolarHBondContact O-N 2.96Å; S3-S7 PolarHBondContact O-OG 3.29Å |
| 4 | W | 67 | Low | 68.8 | Low | 121 Ų | 121 | 91.4 Ų | 91.4 | 46% | 0.458 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69 | -37.6 | 177.2 | 179.4 | 85.1 | 0 | 0 | 0 | 112.7 | M1 V2 S7 R8 | M1-W4 PolarHBondContact O-N 3.44Å; V2-W4 VanDerWaalsContact C-N 3.32Å; V2-W4 PolarHBondContact O-N 2.97Å; W4-S7 PolarHBondContact O-OG 3.49Å; W4-R8 VanDerWaalsContact O-CB 3.27Å; W4-R8 WeakPolarHBondContact O-CB 3.15Å; W4-R8 PolarHBondContact O-N 3.39Å; W4-R8 VanDerWaalsContact O-N 3.15Å |
| 5 | M | 69.8 | Low | 68.7 | Low | 127 Ų | 127 | 85.3 Ų | 85.3 | 63% | 0.626 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -70.9 | -39 | 176.9 | -62.8 | -171.5 | 91 | 0 | 0 | 111.4 | M1 V2 R8 A9 | M1-M5 PolarHBondContact O-N 2.94Å; V2-M5 PolarHBondContact O-N 2.7Å; M5-R8 PolarHBondContact O-N 3.45Å; M5-A9 WeakPolarHBondContact O-CB 3.02Å; M5-A9 PolarHBondContact O-N 2.9Å |
| 6 | I | 71.8 | Confident | 69 | Low | 99 Ų | 99 | 85.3 Ų | 85.3 | 51% | 0.508 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.1 | -46.7 | 177.5 | -66.6 | 171.7 | 0 | 0 | 0 | 110.7 | V2 S3 R8 A9 V10 | V2-I6 HydrophobicContact CG1-CD1 3.61Å; V2-I6 HydrophobicContact CG1-CG1 4.24Å; V2-I6 WeakPolarHBondContact O-CG1 3.29Å; V2-I6 PolarHBondContact O-N 2.94Å; S3-I6 PolarHBondContact O-N 2.98Å; I6-R8 VanDerWaalsContact C-N 3.27Å; I6-R8 PolarHBondContact O-N 3.34Å; I6-A9 PolarHBondContact O-N 3.4Å; I6-V10 HydrophobicContact CG2-CG2 4.32Å; I6-V10 WeakPolarHBondContact O-CB 3.45Å; I6-V10 VanDerWaalsContact O-CG2 3.28Å; I6-V10 WeakPolarHBondContact O-CG2 3.35Å; I6-V10 PolarHBondContact O-N 3.47Å |
| 7 | S | 67.8 | Low | 69.4 | Low | 13 Ų | 13 | 87.5 Ų | 87.5 | 9% | 0.091 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 178 | 68.2 | 0 | 0 | 0 | 0 | 111.2 | S3 W4 V10 V11 | S3-S7 WeakPolarHBondContact O-CB 3.48Å; S3-S7 PolarHBondContact O-N 2.96Å; S3-S7 PolarHBondContact O-OG 3.29Å; W4-S7 PolarHBondContact O-OG 3.49Å; S7-V10 PolarHBondContact O-N 3.43Å; S7-V11 WeakPolarHBondContact O-CB 3.27Å; S7-V11 VanDerWaalsContact O-CG2 3.26Å; S7-V11 WeakPolarHBondContact O-CG2 3.36Å; S7-V11 PolarHBondContact O-N 2.89Å |
| 8 | R | 70.6 | Confident | 69.6 | Low | 130 Ų | 130 | 89.3 Ų | 89.3 | 49% | 0.491 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -68.6 | -40 | 179.9 | -158.7 | 154.1 | 179.3 | 109.8 | -5.2 | 112.4 | W4 M5 I6 L12 | W4-R8 VanDerWaalsContact O-CB 3.27Å; W4-R8 WeakPolarHBondContact O-CB 3.15Å; W4-R8 PolarHBondContact O-N 3.39Å; W4-R8 VanDerWaalsContact O-N 3.15Å; M5-R8 PolarHBondContact O-N 3.45Å; I6-R8 VanDerWaalsContact C-N 3.27Å; I6-R8 PolarHBondContact O-N 3.34Å; R8-L12 HydrophobicContact CG-CD1 4.28Å; R8-L12 VanDerWaalsContact O-CB 3.3Å; R8-L12 WeakPolarHBondContact O-CB 3.3Å; R8-L12 WeakPolarHBondContact O-CD1 3.21Å; R8-L12 WeakPolarHBondContact O-CG 3.39Å; R8-L12 PolarHBondContact O-N 3.3Å |
| 9 | A | 73.4 | Confident | 69.8 | Low | 51 Ų | 51 | 84.7 Ų | 84.7 | 42% | 0.421 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.9 | -43 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M5 I6 L12 V13 | M5-A9 WeakPolarHBondContact O-CB 3.02Å; M5-A9 PolarHBondContact O-N 2.9Å; I6-A9 PolarHBondContact O-N 3.4Å; A9-L12 PolarHBondContact O-N 3.29Å; A9-V13 WeakPolarHBondContact O-CB 3.35Å; A9-V13 VanDerWaalsContact O-CG2 3.28Å; A9-V13 WeakPolarHBondContact O-CG2 3.28Å; A9-V13 PolarHBondContact O-N 3.48Å |
| 10 | V | 71.9 | Confident | 70.2 | Confident | 65 Ų | 65 | 82.9 Ų | 82.9 | 39% | 0.394 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 177.3 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | I6 S7 L12 V13 F14 | I6-V10 HydrophobicContact CG2-CG2 4.32Å; I6-V10 WeakPolarHBondContact O-CB 3.45Å; I6-V10 VanDerWaalsContact O-CG2 3.28Å; I6-V10 WeakPolarHBondContact O-CG2 3.35Å; I6-V10 PolarHBondContact O-N 3.47Å; S7-V10 PolarHBondContact O-N 3.43Å; V10-L12 PolarHBondContact O-N 3.04Å; V10-V13 PolarHBondContact O-N 3.32Å; V10-F14 HydrophobicContact CG1-CD2 3.91Å; V10-F14 WeakPolarHBondContact O-CB 3.42Å; V10-F14 PolarHBondContact O-N 3.02Å |
| 11 | V | 70.6 | Confident | 70.6 | Confident | 19 Ų | 19 | 86 Ų | 86 | 12% | 0.115 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 177.4 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | S7 G15 F45 V73 | S7-V11 WeakPolarHBondContact O-CB 3.27Å; S7-V11 VanDerWaalsContact O-CG2 3.26Å; S7-V11 WeakPolarHBondContact O-CG2 3.36Å; S7-V11 PolarHBondContact O-N 2.89Å; V11-G15 CarbonylContact O-C 3.52Å; V11-G15 WeakPolarHBondContact O-CA 3.43Å; V11-G15 PolarHBondContact O-N 3.28Å; V11-F45 HydrophobicContact CG1-CE2 4.03Å; V11-F45 HydrophobicContact CG1-CZ 3.9Å; V11-V73 HydrophobicContact CG2-CG1 4.33Å |
| 12 | L | 73.4 | Confident | 71.3 | Confident | 82 Ų | 82 | 80.6 Ų | 80.6 | 43% | 0.429 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.5 | -49 | 175.2 | -83.9 | 160.7 | 0 | 0 | 0 | 111.7 | R8 A9 V10 M16 L17 | R8-L12 HydrophobicContact CG-CD1 4.28Å; R8-L12 VanDerWaalsContact O-CB 3.3Å; R8-L12 WeakPolarHBondContact O-CB 3.3Å; R8-L12 WeakPolarHBondContact O-CD1 3.21Å; R8-L12 WeakPolarHBondContact O-CG 3.39Å; R8-L12 PolarHBondContact O-N 3.3Å; A9-L12 PolarHBondContact O-N 3.29Å; V10-L12 PolarHBondContact O-N 3.04Å; L12-M16 HydrophobicContact CD2-CE 3.36Å; L12-M16 HydrophobicContact CD2-SD 3.76Å; L12-M16 HydrophobicContact CG-CE 4.38Å; L12-M16 WeakPolarHBondContact O-CA 3.34Å; L12-M16 VanDerWaalsContact O-CB 3.22Å; L12-M16 WeakPolarHBondContact O-CB 3.26Å; L12-M16 PolarHBondContact O-N 3.26Å; L12-L17 PolarHBondContact O-N 3.1Å |
| 13 | V | 73.5 | Confident | 71.9 | Confident | 74 Ų | 74 | 76.6 Ų | 76.6 | 45% | 0.448 | 38% | 0.381 | S | S | . | . | I | π-helix | trans | -76.1 | -49.3 | -173.7 | 177 | 0 | 0 | 0 | 0 | 111.4 | A9 V10 L17 Y18 | A9-V13 WeakPolarHBondContact O-CB 3.35Å; A9-V13 VanDerWaalsContact O-CG2 3.28Å; A9-V13 WeakPolarHBondContact O-CG2 3.28Å; A9-V13 PolarHBondContact O-N 3.48Å; V10-V13 PolarHBondContact O-N 3.32Å; V13-L17 WeakPolarHBondContact O-CA 3.28Å; V13-L17 WeakPolarHBondContact O-CB 3.31Å; V13-L17 PolarHBondContact O-N 3.09Å; V13-L17 VanDerWaalsContact O-N 3.12Å; V13-Y18 PolarHBondContact O-N 3.31Å |
| 14 | F | 71 | Confident | 72.7 | Confident | 127 Ų | 127 | 81.3 Ų | 81.3 | 56% | 0.557 | 39% | 0.391 | S | S | * | . | I | π-helix | trans | -83.3 | -29.6 | -178.9 | -68.8 | -85.7 | 0 | 0 | 0 | 112.9 | V10 P19 | V10-F14 HydrophobicContact CG1-CD2 3.91Å; V10-F14 WeakPolarHBondContact O-CB 3.42Å; V10-F14 PolarHBondContact O-N 3.02Å; F14-P19 WeakPolarHBondContact O-CD 3.35Å |
| 15 | G | 67.1 | Low | 73 | Confident | 0 Ų | 0 | 81.1 Ų | 81.1 | 0% | 0 | 39% | 0.393 | C | S | . | . | I | π-helix | trans | -90.5 | -19.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | V11 P19 Y41 | V11-G15 CarbonylContact O-C 3.52Å; V11-G15 WeakPolarHBondContact O-CA 3.43Å; V11-G15 PolarHBondContact O-N 3.28Å; G15-P19 WeakPolarHBondContact O-CG 3.49Å; G15-Y41 PolarHBondContact O-OH 3.46Å |
| 16 | M | 73.9 | Confident | 73.2 | Confident | 85 Ų | 85 | 75.2 Ų | 75.2 | 42% | 0.419 | 36% | 0.364 | S | S | . | . | I | π-helix | trans | -113.9 | -48.4 | 171.4 | -57.8 | -173.5 | -159.6 | 0 | 0 | 113.4 | L12 P19 A20 F45 | L12-M16 HydrophobicContact CD2-CE 3.36Å; L12-M16 HydrophobicContact CD2-SD 3.76Å; L12-M16 HydrophobicContact CG-CE 4.38Å; L12-M16 WeakPolarHBondContact O-CA 3.34Å; L12-M16 VanDerWaalsContact O-CB 3.22Å; L12-M16 WeakPolarHBondContact O-CB 3.26Å; L12-M16 PolarHBondContact O-N 3.26Å; M16-P19 WeakPolarHBondContact O-CD 3.36Å; M16-P19 WeakPolarHBondContact O-CG 3.42Å; M16-A20 WeakPolarHBondContact O-CB 3.49Å; M16-A20 PolarHBondContact O-N 3.31Å; M16-F45 HydrophobicContact CG-CE1 4.23Å; M16-F45 HydrophobicContact CG-CZ 4.36Å |
| 17 | L | 75.4 | Confident | 73.4 | Confident | 123 Ų | 123 | 74.9 Ų | 74.9 | 64% | 0.644 | 37% | 0.367 | S | S | * | . | I | π-helix | trans | -69.2 | -46 | -168.7 | -129.9 | 98 | 0 | 0 | 0 | 112.4 | L12 V13 A20 Y21 | L12-L17 PolarHBondContact O-N 3.1Å; V13-L17 WeakPolarHBondContact O-CA 3.28Å; V13-L17 WeakPolarHBondContact O-CB 3.31Å; V13-L17 PolarHBondContact O-N 3.09Å; V13-L17 VanDerWaalsContact O-N 3.12Å; L17-A20 PolarHBondContact O-N 3.4Å; L17-Y21 PolarHBondContact O-N 2.91Å; L17-Y21 VanDerWaalsContact O-N 3.17Å |
| 18 | Y | 71.7 | Confident | 73.8 | Confident | 121 Ų | 121 | 82 Ų | 82 | 48% | 0.475 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.1 | -56 | 177.2 | -172.9 | -90.5 | 0 | 0 | 0 | 112.5 | V13 A20 Y21 Y22 | V13-Y18 PolarHBondContact O-N 3.31Å; Y18-A20 VanDerWaalsContact C-N 3.32Å; Y18-A20 PolarHBondContact O-N 2.97Å; Y18-Y21 PolarHBondContact O-N 3.45Å; Y18-Y22 HydrophobicContact CD1-CD2 4.17Å; Y18-Y22 HydrophobicContact CD1-CE2 4.29Å; Y18-Y22 HydrophobicContact CD2-CE2 4.24Å; Y18-Y22 AromaticContact CE1-CD2 3.9Å; Y18-Y22 HydrophobicContact CE1-CD2 3.9Å; Y18-Y22 AromaticContact CE1-CE2 3.71Å; Y18-Y22 HydrophobicContact CE1-CE2 3.71Å; Y18-Y22 HydrophobicContact CE2-CD2 4.42Å; Y18-Y22 AromaticContact CE2-CE2 3.67Å; Y18-Y22 HydrophobicContact CE2-CE2 3.67Å; Y18-Y22 AromaticContact CZ-CE2 3.37Å; Y18-Y22 WeakPolarHBondContact O-CD2 3.49Å; Y18-Y22 PolarHBondContact O-N 3.16Å |
| 19 | P | 73.5 | Confident | 73.9 | Confident | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.006 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -66.4 | -29 | 177.9 | 25.6 | -35 | 0 | 0 | 0 | 113.5 | F14 G15 M16 Y22 S23 W38 Y41 W42 | F14-P19 WeakPolarHBondContact O-CD 3.35Å; G15-P19 WeakPolarHBondContact O-CG 3.49Å; M16-P19 WeakPolarHBondContact O-CD 3.36Å; M16-P19 WeakPolarHBondContact O-CG 3.42Å; P19-Y22 PolarHBondContact O-N 2.88Å; P19-S23 WeakPolarHBondContact O-CB 3.39Å; P19-S23 PolarHBondContact O-N 2.88Å; P19-S23 PolarHBondContact O-OG 3.32Å; P19-W38 HydrophobicContact CB-CE3 3.9Å; P19-W38 HydrophobicContact CB-CH2 4.34Å; P19-W38 HydrophobicContact CB-CZ3 3.43Å; P19-W38 VanDerWaalsContact CB-CZ3 3.43Å; P19-Y41 HydrophobicContact CB-CD1 3.89Å; P19-Y41 HydrophobicContact CB-CE1 3.39Å; P19-Y41 HydrophobicContact CG-CD1 4.43Å; P19-Y41 HydrophobicContact CG-CE1 3.49Å; P19-Y41 VanDerWaalsContact CG-CE1 3.49Å; P19-W42 HydrophobicContact CB-CZ2 4.09Å; P19-W42 HydrophobicContact CG-CH2 4.16Å; P19-W42 HydrophobicContact CG-CZ2 4.24Å |
| 20 | A | 79.4 | Confident | 73.9 | Confident | 48 Ų | 48 | 85.9 Ų | 85.9 | 40% | 0.397 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M16 L17 Y18 S23 Y24 | M16-A20 WeakPolarHBondContact O-CB 3.49Å; M16-A20 PolarHBondContact O-N 3.31Å; L17-A20 PolarHBondContact O-N 3.4Å; Y18-A20 VanDerWaalsContact C-N 3.32Å; Y18-A20 PolarHBondContact O-N 2.97Å; A20-S23 PolarHBondContact O-N 2.87Å; A20-Y24 PolarHBondContact O-N 2.93Å |
| 21 | Y | 78.6 | Confident | 73.8 | Confident | 149 Ų | 149 | 86.1 Ų | 86.1 | 58% | 0.584 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -63.1 | -44.4 | 177.1 | 179.6 | -100.2 | 0 | 0 | 0 | 112.1 | L17 Y18 Y24 K25 | L17-Y21 PolarHBondContact O-N 2.91Å; L17-Y21 VanDerWaalsContact O-N 3.17Å; Y18-Y21 PolarHBondContact O-N 3.45Å; Y21-Y24 WeakPolarHBondContact O-CB 3.27Å; Y21-Y24 PolarHBondContact O-N 3.42Å; Y21-K25 PolarHBondContact O-N 2.93Å |
| 22 | Y | 72.8 | Confident | 73.8 | Confident | 93 Ų | 93 | 90.3 Ų | 90.3 | 37% | 0.365 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -71.7 | -32.5 | 177.3 | -81.2 | -87.8 | 0 | 0 | 0 | 113.2 | Y18 P19 Y24 K25 A26 W38 | Y18-Y22 HydrophobicContact CD1-CD2 4.17Å; Y18-Y22 HydrophobicContact CD1-CE2 4.29Å; Y18-Y22 HydrophobicContact CD2-CE2 4.24Å; Y18-Y22 AromaticContact CE1-CD2 3.9Å; Y18-Y22 HydrophobicContact CE1-CD2 3.9Å; Y18-Y22 AromaticContact CE1-CE2 3.71Å; Y18-Y22 HydrophobicContact CE1-CE2 3.71Å; Y18-Y22 HydrophobicContact CE2-CD2 4.42Å; Y18-Y22 AromaticContact CE2-CE2 3.67Å; Y18-Y22 HydrophobicContact CE2-CE2 3.67Å; Y18-Y22 AromaticContact CZ-CE2 3.37Å; Y18-Y22 WeakPolarHBondContact O-CD2 3.49Å; Y18-Y22 PolarHBondContact O-N 3.16Å; P19-Y22 PolarHBondContact O-N 2.88Å; Y22-Y24 VanDerWaalsContact C-N 3.33Å; Y22-K25 PolarHBondContact O-N 3.4Å; Y22-A26 WeakPolarHBondContact O-CB 3.15Å; Y22-A26 PolarHBondContact O-N 3.24Å; Y22-W38 HydrophobicContact CD1-CZ2 4.12Å; Y22-W38 HydrophobicContact CD2-CH2 4.43Å; Y22-W38 HydrophobicContact CD2-CZ2 4.44Å; Y22-W38 HydrophobicContact CG-CH2 4.08Å; Y22-W38 AromaticContact CG-CZ2 3.67Å; Y22-W38 HydrophobicContact CG-CZ2 3.67Å |
| 23 | S | 75.1 | Confident | 73.5 | Confident | 22 Ų | 22 | 94.6 Ų | 94.6 | 15% | 0.154 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 171.9 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | P19 A20 K25 A26 V27 W42 | P19-S23 WeakPolarHBondContact O-CB 3.39Å; P19-S23 PolarHBondContact O-N 2.88Å; P19-S23 PolarHBondContact O-OG 3.32Å; A20-S23 PolarHBondContact O-N 2.87Å; S23-K25 VanDerWaalsContact C-N 3.34Å; S23-K25 PolarHBondContact O-N 3.41Å; S23-A26 PolarHBondContact O-N 3.5Å; S23-V27 WeakPolarHBondContact O-CG2 3.3Å; S23-V27 PolarHBondContact O-N 3.22Å; S23-W42 PolarHBondContact OG-NE1 2.86Å |
| 24 | Y | 77.6 | Confident | 73.3 | Confident | 158 Ų | 158 | 94.6 Ų | 94.6 | 62% | 0.62 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.2 | -44.4 | 173.4 | 173.4 | -105.4 | 0 | 0 | 0 | 112 | A20 Y21 Y22 A26 V27 K28 | A20-Y24 PolarHBondContact O-N 2.93Å; Y21-Y24 WeakPolarHBondContact O-CB 3.27Å; Y21-Y24 PolarHBondContact O-N 3.42Å; Y22-Y24 VanDerWaalsContact C-N 3.33Å; Y24-A26 PolarHBondContact O-N 2.87Å; Y24-V27 PolarHBondContact O-N 2.97Å; Y24-K28 PolarHBondContact O-N 3.5Å; Y24-K28 VanDerWaalsContact O-N 3.08Å |
| 25 | K | 74.4 | Confident | 73.3 | Confident | 117 Ų | 117 | 94.1 Ų | 94.1 | 51% | 0.509 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 176.7 | -163.9 | 175 | -178.4 | -179.4 | 0 | 112 | Y21 Y22 S23 K28 T29 | Y21-K25 PolarHBondContact O-N 2.93Å; Y22-K25 PolarHBondContact O-N 3.4Å; S23-K25 VanDerWaalsContact C-N 3.34Å; S23-K25 PolarHBondContact O-N 3.41Å; K25-K28 PolarHBondContact O-N 3.38Å; K25-T29 PolarHBondContact O-N 3.43Å; K25-T29 PolarHBondContact O-OG1 2.9Å; K25-T29 VanDerWaalsContact O-OG1 3.04Å |
| 26 | A | 73.1 | Confident | 73.4 | Confident | 3 Ų | 3 | 97.5 Ų | 97.5 | 3% | 0.025 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65.7 | -36.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y22 S23 Y24 K28 T29 K30 E34 | Y22-A26 WeakPolarHBondContact O-CB 3.15Å; Y22-A26 PolarHBondContact O-N 3.24Å; S23-A26 PolarHBondContact O-N 3.5Å; Y24-A26 PolarHBondContact O-N 2.87Å; A26-K28 VanDerWaalsContact C-N 3.35Å; A26-T29 WeakPolarHBondContact CA-OG1 3.4Å; A26-T29 PolarHBondContact O-OG1 3.21Å; A26-K30 PolarHBondContact O-N 2.87Å; A26-E34 HydrophobicContact CB-CB 3.97Å |
| 27 | V | 75.9 | Confident | 73.1 | Confident | 92 Ų | 92 | 101.2 Ų | 101.2 | 56% | 0.558 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 173.1 | 171.4 | 0 | 0 | 0 | 0 | 110.5 | S23 Y24 K30 | S23-V27 WeakPolarHBondContact O-CG2 3.3Å; S23-V27 PolarHBondContact O-N 3.22Å; Y24-V27 PolarHBondContact O-N 2.97Å; V27-K30 PolarHBondContact O-N 3.41Å |
| 28 | K | 76.6 | Confident | 73.2 | Confident | 162 Ų | 162 | 97.1 Ų | 97.1 | 70% | 0.704 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -67.1 | -38.3 | 178.6 | -170 | 178.5 | 179.1 | -180 | 0 | 112.9 | Y24 K25 A26 K30 | Y24-K28 PolarHBondContact O-N 3.5Å; Y24-K28 VanDerWaalsContact O-N 3.08Å; K25-K28 PolarHBondContact O-N 3.38Å; A26-K28 VanDerWaalsContact C-N 3.35Å; K28-K30 PolarHBondContact O-N 3.03Å |
| 29 | T | 74.1 | Confident | 73.2 | Confident | 78 Ų | 78 | 95.1 Ų | 95.1 | 48% | 0.479 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -6.3 | 178.7 | 47.2 | 0 | 0 | 0 | 0 | 113.7 | K25 A26 N31 E34 | K25-T29 PolarHBondContact O-N 3.43Å; K25-T29 PolarHBondContact O-OG1 2.9Å; K25-T29 VanDerWaalsContact O-OG1 3.04Å; A26-T29 WeakPolarHBondContact CA-OG1 3.4Å; A26-T29 PolarHBondContact O-OG1 3.21Å; T29-N31 PolarHBondContact O-N 3.37Å; T29-E34 PolarHBondContact OG1-OE2 2.89Å |
| 30 | K | 71.4 | Confident | 73 | Confident | 184 Ų | 184 | 97 Ų | 97 | 80% | 0.8 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 24.3 | -176.5 | -63.3 | -170.2 | 176.6 | -175.1 | 0 | 113.8 | A26 V27 K28 V32 | A26-K30 PolarHBondContact O-N 2.87Å; V27-K30 PolarHBondContact O-N 3.41Å; K28-K30 PolarHBondContact O-N 3.03Å; K30-V32 PolarHBondContact O-N 2.89Å |
| 31 | N | 71.3 | Confident | 72.7 | Confident | 71 Ų | 71 | 95.8 Ų | 95.8 | 38% | 0.38 | 44% | 0.44 | S | S | . | . | trans | -84.2 | 103.4 | -177.8 | -166.5 | -31.7 | 0 | 0 | 0 | 109.7 | T29 K33 E34 Y35 | T29-N31 PolarHBondContact O-N 3.37Å; N31-K33 PolarHBondContact O-N 2.96Å; N31-K33 VanDerWaalsContact O-N 3.17Å; N31-K33 PolarHBondContact OD1-N 3.46Å; N31-E34 HydrophobicContact CB-CB 4.28Å; N31-E34 HydrophobicContact CB-CG 4.29Å; N31-E34 PolarHBondContact O-N 3.46Å; N31-E34 VanDerWaalsContact O-N 3.08Å; N31-Y35 PolarHBondContact O-N 3.49Å | ||
| 32 | V | 70.5 | Confident | 72.7 | Confident | 107 Ų | 107 | 92.7 Ų | 92.7 | 65% | 0.648 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -55.7 | -36.5 | -176.6 | -176.1 | 0 | 0 | 0 | 0 | 111.8 | K30 E34 Y35 V36 | K30-V32 PolarHBondContact O-N 2.89Å; V32-E34 PolarHBondContact O-N 3.48Å; V32-Y35 PolarHBondContact O-N 3.28Å; V32-V36 HydrophobicContact CG1-CG2 4.38Å; V32-V36 VanDerWaalsContact O-CG2 3.3Å; V32-V36 WeakPolarHBondContact O-CG2 3.28Å; V32-V36 PolarHBondContact O-N 3.41Å |
| 33 | K | 67 | Low | 72.8 | Confident | 171 Ų | 171 | 91 Ų | 91 | 74% | 0.743 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -67.9 | -36 | -179.4 | -68.1 | -178.8 | -179.6 | 175.8 | 0 | 112.6 | N31 R37 | N31-K33 PolarHBondContact O-N 2.96Å; N31-K33 VanDerWaalsContact O-N 3.17Å; N31-K33 PolarHBondContact OD1-N 3.46Å; K33-R37 PolarHBondContact O-N 3.31Å |
| 34 | E | 68.8 | Low | 72.7 | Confident | 74 Ų | 74 | 90.2 Ų | 90.2 | 35% | 0.346 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -72.6 | -41.6 | 175.3 | -72 | -176.3 | 153.3 | 0 | 0 | 111 | A26 T29 N31 V32 V36 R37 W38 | A26-E34 HydrophobicContact CB-CB 3.97Å; T29-E34 PolarHBondContact OG1-OE2 2.89Å; N31-E34 HydrophobicContact CB-CB 4.28Å; N31-E34 HydrophobicContact CB-CG 4.29Å; N31-E34 PolarHBondContact O-N 3.46Å; N31-E34 VanDerWaalsContact O-N 3.08Å; V32-E34 PolarHBondContact O-N 3.48Å; E34-V36 PolarHBondContact O-N 2.88Å; E34-R37 WeakPolarHBondContact O-CB 3.24Å; E34-R37 PolarHBondContact O-N 2.89Å; E34-R37 VanDerWaalsContact O-N 3.12Å; E34-W38 PolarHBondContact O-N 3.33Å |
| 35 | Y | 71.1 | Confident | 72.5 | Confident | 118 Ų | 118 | 83.5 Ų | 83.5 | 46% | 0.463 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.5 | -49 | 175.9 | -177.9 | -97.4 | 0 | 0 | 0 | 112.1 | N31 V32 R37 W38 M39 | N31-Y35 PolarHBondContact O-N 3.49Å; V32-Y35 PolarHBondContact O-N 3.28Å; Y35-R37 VanDerWaalsContact C-N 3.28Å; Y35-R37 PolarHBondContact O-N 2.91Å; Y35-W38 PolarHBondContact O-N 3.46Å; Y35-M39 HydrophobicContact CE1-CE 3.57Å; Y35-M39 HydrophobicContact CE2-CE 4.16Å; Y35-M39 PolarHBondContact O-N 2.92Å; Y35-M39 WeakPolarHBondContact OH-CE 3.46Å |
| 36 | V | 69.5 | Low | 72.7 | Confident | 70 Ų | 70 | 80.5 Ų | 80.5 | 42% | 0.424 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 177.2 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | V32 E34 M39 M40 | V32-V36 HydrophobicContact CG1-CG2 4.38Å; V32-V36 VanDerWaalsContact O-CG2 3.3Å; V32-V36 WeakPolarHBondContact O-CG2 3.28Å; V32-V36 PolarHBondContact O-N 3.41Å; E34-V36 PolarHBondContact O-N 2.88Å; V36-M39 PolarHBondContact O-N 3.39Å; V36-M40 HydrophobicContact CG1-CE 4.15Å; V36-M40 WeakPolarHBondContact O-CG 3.46Å; V36-M40 PolarHBondContact O-N 2.93Å |
| 37 | R | 68.4 | Low | 72.7 | Confident | 163 Ų | 163 | 84.3 Ų | 84.3 | 62% | 0.615 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -64 | -42.6 | 176.5 | -168.8 | -178.4 | -63.3 | 165.8 | 1.3 | 112.3 | K33 E34 Y35 M40 Y41 | K33-R37 PolarHBondContact O-N 3.31Å; E34-R37 WeakPolarHBondContact O-CB 3.24Å; E34-R37 PolarHBondContact O-N 2.89Å; E34-R37 VanDerWaalsContact O-N 3.12Å; Y35-R37 VanDerWaalsContact C-N 3.28Å; Y35-R37 PolarHBondContact O-N 2.91Å; R37-M40 HydrophobicContact CB-CE 4.4Å; R37-Y41 PolarHBondContact O-N 3.43Å; R37-Y41 VanDerWaalsContact O-N 3.14Å |
| 38 | W | 75.9 | Confident | 72.6 | Confident | 38 Ų | 38 | 80.6 Ų | 80.6 | 14% | 0.144 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.9 | -39.8 | 175.2 | -73.8 | 114.8 | 0 | 0 | 0 | 112 | P19 Y22 E34 Y35 M40 Y41 W42 | P19-W38 HydrophobicContact CB-CE3 3.9Å; P19-W38 HydrophobicContact CB-CH2 4.34Å; P19-W38 HydrophobicContact CB-CZ3 3.43Å; P19-W38 VanDerWaalsContact CB-CZ3 3.43Å; Y22-W38 HydrophobicContact CD1-CZ2 4.12Å; Y22-W38 HydrophobicContact CD2-CH2 4.43Å; Y22-W38 HydrophobicContact CD2-CZ2 4.44Å; Y22-W38 HydrophobicContact CG-CH2 4.08Å; Y22-W38 AromaticContact CG-CZ2 3.67Å; Y22-W38 HydrophobicContact CG-CZ2 3.67Å; E34-W38 PolarHBondContact O-N 3.33Å; Y35-W38 PolarHBondContact O-N 3.46Å; W38-M40 PolarHBondContact O-N 3Å; W38-Y41 HydrophobicContact CE3-CD1 4.31Å; W38-Y41 HydrophobicContact CE3-CG 4.45Å; W38-Y41 HydrophobicContact CZ3-CD1 4.42Å; W38-Y41 HydrophobicContact CZ3-CG 4.48Å; W38-Y41 WeakPolarHBondContact O-CB 3.32Å; W38-Y41 PolarHBondContact O-N 3.36Å; W38-Y41 VanDerWaalsContact O-N 3.17Å; W38-W42 PolarHBondContact O-N 2.91Å |
| 39 | M | 72 | Confident | 72.6 | Confident | 78 Ų | 78 | 75.4 Ų | 75.4 | 38% | 0.384 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 176 | -161.5 | 67.6 | 72.3 | 0 | 0 | 111.9 | Y35 V36 Y41 W42 I43 | Y35-M39 HydrophobicContact CE1-CE 3.57Å; Y35-M39 HydrophobicContact CE2-CE 4.16Å; Y35-M39 PolarHBondContact O-N 2.92Å; Y35-M39 WeakPolarHBondContact OH-CE 3.46Å; V36-M39 PolarHBondContact O-N 3.39Å; M39-Y41 VanDerWaalsContact C-N 3.27Å; M39-Y41 PolarHBondContact O-N 3.02Å; M39-W42 PolarHBondContact O-N 3.34Å; M39-I43 HydrophobicContact CG-CD1 4.3Å; M39-I43 WeakPolarHBondContact O-CG1 3.21Å; M39-I43 PolarHBondContact O-N 3.49Å; M39-I43 VanDerWaalsContact O-N 3.09Å |
| 40 | M | 70.6 | Confident | 72.7 | Confident | 40 Ų | 40 | 76 Ų | 76 | 20% | 0.197 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.8 | -40 | 174.5 | -71.8 | -174.1 | -67.7 | 0 | 0 | 111.9 | V36 R37 W38 V44 Y88 | V36-M40 HydrophobicContact CG1-CE 4.15Å; V36-M40 WeakPolarHBondContact O-CG 3.46Å; V36-M40 PolarHBondContact O-N 2.93Å; R37-M40 HydrophobicContact CB-CE 4.4Å; W38-M40 PolarHBondContact O-N 3Å; M40-V44 WeakPolarHBondContact O-CG2 3.35Å; M40-V44 PolarHBondContact O-N 2.89Å; M40-Y88 HydrophobicContact CB-CD2 4.02Å; M40-Y88 HydrophobicContact CB-CE2 4.28Å; M40-Y88 HydrophobicContact CB-CG 4.45Å; M40-Y88 HydrophobicContact CG-CD1 4.24Å; M40-Y88 HydrophobicContact CG-CD2 3.8Å; M40-Y88 HydrophobicContact CG-CE1 4.19Å; M40-Y88 HydrophobicContact CG-CE2 3.74Å; M40-Y88 HydrophobicContact CG-CG 4.07Å; M40-Y88 HydrophobicContact SD-CD1 3.88Å; M40-Y88 HydrophobicContact SD-CD2 4.41Å; M40-Y88 HydrophobicContact SD-CE1 4.08Å; M40-Y88 HydrophobicContact SD-CG 4.07Å |
| 41 | Y | 72.9 | Confident | 72.8 | Confident | 23 Ų | 23 | 72.4 Ų | 72.4 | 9% | 0.09 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.5 | -49.1 | 175.2 | 171.4 | -89.4 | 0 | 0 | 0 | 111.7 | G15 P19 R37 W38 M39 I43 V44 F45 | G15-Y41 PolarHBondContact O-OH 3.46Å; P19-Y41 HydrophobicContact CB-CD1 3.89Å; P19-Y41 HydrophobicContact CB-CE1 3.39Å; P19-Y41 HydrophobicContact CG-CD1 4.43Å; P19-Y41 HydrophobicContact CG-CE1 3.49Å; P19-Y41 VanDerWaalsContact CG-CE1 3.49Å; R37-Y41 PolarHBondContact O-N 3.43Å; R37-Y41 VanDerWaalsContact O-N 3.14Å; W38-Y41 HydrophobicContact CE3-CD1 4.31Å; W38-Y41 HydrophobicContact CE3-CG 4.45Å; W38-Y41 HydrophobicContact CZ3-CD1 4.42Å; W38-Y41 HydrophobicContact CZ3-CG 4.48Å; W38-Y41 WeakPolarHBondContact O-CB 3.32Å; W38-Y41 PolarHBondContact O-N 3.36Å; W38-Y41 VanDerWaalsContact O-N 3.17Å; M39-Y41 VanDerWaalsContact C-N 3.27Å; M39-Y41 PolarHBondContact O-N 3.02Å; Y41-I43 VanDerWaalsContact C-N 3.32Å; Y41-I43 PolarHBondContact O-N 3.36Å; Y41-V44 PolarHBondContact O-N 3.42Å; Y41-F45 HydrophobicContact CE1-CB 4.32Å; Y41-F45 WeakPolarHBondContact O-CB 3.32Å; Y41-F45 PolarHBondContact O-N 3.38Å |
| 42 | W | 77.5 | Confident | 73.1 | Confident | 85 Ų | 85 | 70 Ų | 70 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | -178.7 | -75.8 | 115.7 | 0 | 0 | 0 | 112.9 | P19 S23 W38 M39 F45 A46 | P19-W42 HydrophobicContact CB-CZ2 4.09Å; P19-W42 HydrophobicContact CG-CH2 4.16Å; P19-W42 HydrophobicContact CG-CZ2 4.24Å; S23-W42 PolarHBondContact OG-NE1 2.86Å; W38-W42 PolarHBondContact O-N 2.91Å; M39-W42 PolarHBondContact O-N 3.34Å; W42-F45 HydrophobicContact CE3-CD1 4.29Å; W42-F45 HydrophobicContact CZ3-CD1 4.27Å; W42-F45 PolarHBondContact O-N 2.91Å; W42-A46 PolarHBondContact O-N 2.91Å |
| 43 | I | 74.8 | Confident | 73.3 | Confident | 56 Ų | 56 | 68.5 Ų | 68.5 | 29% | 0.287 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67.3 | -43.6 | 178.6 | -60.1 | 162 | 0 | 0 | 0 | 111 | M39 Y41 F45 A46 L47 Y88 L92 | M39-I43 HydrophobicContact CG-CD1 4.3Å; M39-I43 WeakPolarHBondContact O-CG1 3.21Å; M39-I43 PolarHBondContact O-N 3.49Å; M39-I43 VanDerWaalsContact O-N 3.09Å; Y41-I43 VanDerWaalsContact C-N 3.32Å; Y41-I43 PolarHBondContact O-N 3.36Å; I43-F45 VanDerWaalsContact C-N 3.33Å; I43-F45 PolarHBondContact O-N 3.37Å; I43-A46 PolarHBondContact O-N 3.32Å; I43-L47 PolarHBondContact O-N 3.33Å; I43-Y88 HydrophobicContact CD1-CE2 4.15Å; I43-L92 HydrophobicContact CB-CD2 4.3Å; I43-L92 HydrophobicContact CG2-CD2 3.48Å; I43-L92 VanDerWaalsContact CG2-CD2 3.48Å |
| 44 | V | 73.3 | Confident | 73.7 | Confident | 7 Ų | 7 | 64.5 Ų | 64.5 | 4% | 0.042 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | M40 Y41 A46 L47 Y48 L76 A84 | M40-V44 WeakPolarHBondContact O-CG2 3.35Å; M40-V44 PolarHBondContact O-N 2.89Å; Y41-V44 PolarHBondContact O-N 3.42Å; V44-A46 VanDerWaalsContact C-N 3.34Å; V44-A46 PolarHBondContact O-N 2.99Å; V44-L47 PolarHBondContact O-N 2.89Å; V44-Y48 WeakPolarHBondContact O-CB 3.49Å; V44-Y48 PolarHBondContact O-N 3.31Å; V44-L76 HydrophobicContact CG1-CD2 3.44Å; V44-L76 VanDerWaalsContact CG1-CD2 3.44Å; V44-L76 HydrophobicContact CG1-CG 4.4Å; V44-A84 HydrophobicContact CB-CB 4.06Å; V44-A84 HydrophobicContact CG1-CB 3.85Å; V44-A84 HydrophobicContact CG2-CB 4.09Å |
| 45 | F | 74.3 | Confident | 73.9 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 8% | 0.075 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.9 | -39 | 176.2 | -175.1 | -103.2 | 0 | 0 | 0 | 112.4 | V11 M16 Y41 W42 I43 Y48 T49 | V11-F45 HydrophobicContact CG1-CE2 4.03Å; V11-F45 HydrophobicContact CG1-CZ 3.9Å; M16-F45 HydrophobicContact CG-CE1 4.23Å; M16-F45 HydrophobicContact CG-CZ 4.36Å; Y41-F45 HydrophobicContact CE1-CB 4.32Å; Y41-F45 WeakPolarHBondContact O-CB 3.32Å; Y41-F45 PolarHBondContact O-N 3.38Å; W42-F45 HydrophobicContact CE3-CD1 4.29Å; W42-F45 HydrophobicContact CZ3-CD1 4.27Å; W42-F45 PolarHBondContact O-N 2.91Å; I43-F45 VanDerWaalsContact C-N 3.33Å; I43-F45 PolarHBondContact O-N 3.37Å; F45-Y48 HydrophobicContact CD2-CD1 4.5Å; F45-Y48 PolarHBondContact O-N 2.91Å; F45-T49 PolarHBondContact O-N 2.91Å; F45-T49 PolarHBondContact O-OG1 2.65Å |
| 46 | A | 77 | Confident | 73.9 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 45% | 0.446 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.5 | -47.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | W42 I43 V44 Y48 T49 V50 | W42-A46 PolarHBondContact O-N 2.91Å; I43-A46 PolarHBondContact O-N 3.32Å; V44-A46 VanDerWaalsContact C-N 3.34Å; V44-A46 PolarHBondContact O-N 2.99Å; A46-Y48 VanDerWaalsContact C-N 3.33Å; A46-Y48 PolarHBondContact O-N 3.48Å; A46-T49 WeakPolarHBondContact O-CB 3.37Å; A46-T49 PolarHBondContact O-N 2.95Å; A46-V50 PolarHBondContact O-N 3.18Å; A46-V50 VanDerWaalsContact O-N 3.17Å |
| 47 | L | 73.1 | Confident | 73.9 | Confident | 82 Ų | 82 | 62 Ų | 62 | 43% | 0.429 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.5 | -41.5 | 175.7 | -84.5 | 160.6 | 0 | 0 | 0 | 112.5 | I43 V44 T49 V50 I51 L92 | I43-L47 PolarHBondContact O-N 3.33Å; V44-L47 PolarHBondContact O-N 2.89Å; L47-T49 VanDerWaalsContact C-N 3.29Å; L47-T49 PolarHBondContact O-N 2.84Å; L47-V50 PolarHBondContact O-N 2.69Å; L47-I51 WeakPolarHBondContact O-CG1 3.32Å; L47-I51 PolarHBondContact O-N 3.27Å; L47-L92 HydrophobicContact CD1-CD1 3.15Å; L47-L92 HydrophobicContact CD1-CG 4.38Å |
| 48 | Y | 75.4 | Confident | 73.8 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 6% | 0.055 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.7 | -45.1 | 173.6 | 167.2 | -99.4 | 0 | 0 | 0 | 111.3 | V44 F45 A46 V50 I51 E52 V73 L76 | V44-Y48 WeakPolarHBondContact O-CB 3.49Å; V44-Y48 PolarHBondContact O-N 3.31Å; F45-Y48 HydrophobicContact CD2-CD1 4.5Å; F45-Y48 PolarHBondContact O-N 2.91Å; A46-Y48 VanDerWaalsContact C-N 3.33Å; A46-Y48 PolarHBondContact O-N 3.48Å; Y48-V50 VanDerWaalsContact C-N 3.29Å; Y48-V50 PolarHBondContact O-N 2.97Å; Y48-I51 PolarHBondContact O-N 3.2Å; Y48-E52 HydrophobicContact CE1-CB 4.25Å; Y48-E52 WeakPolarHBondContact CE1-OE2 3.48Å; Y48-E52 HydrophobicContact CE2-CB 4.14Å; Y48-E52 VanDerWaalsContact O-CB 3.26Å; Y48-E52 WeakPolarHBondContact O-CB 3.49Å; Y48-E52 PolarHBondContact O-N 2.7Å; Y48-E52 PolarHBondContact OH-OE1 2.84Å; Y48-E52 PolarHBondContact OH-OE2 3.41Å; Y48-V73 HydrophobicContact CD2-CG2 4.4Å; Y48-V73 HydrophobicContact CE1-CG1 4.36Å; Y48-V73 HydrophobicContact CE1-CG2 4.28Å; Y48-V73 HydrophobicContact CE2-CB 4.44Å; Y48-V73 HydrophobicContact CE2-CG2 3.33Å; Y48-V73 WeakPolarHBondContact OH-CG2 3.48Å; Y48-L76 HydrophobicContact CD2-CD2 4.48Å; Y48-L76 HydrophobicContact CG-CD2 4.41Å |
| 49 | T | 75 | Confident | 73.5 | Confident | 54 Ų | 54 | 58.3 Ų | 58.3 | 33% | 0.331 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.1 | -38.4 | 178.9 | -53.5 | 0 | 0 | 0 | 0 | 112.1 | F45 A46 L47 T53 | F45-T49 PolarHBondContact O-N 2.91Å; F45-T49 PolarHBondContact O-OG1 2.65Å; A46-T49 WeakPolarHBondContact O-CB 3.37Å; A46-T49 PolarHBondContact O-N 2.95Å; L47-T49 VanDerWaalsContact C-N 3.29Å; L47-T49 PolarHBondContact O-N 2.84Å; T49-T53 PolarHBondContact O-N 2.86Å; T49-T53 VanDerWaalsContact O-N 3.07Å; T49-T53 PolarHBondContact O-OG1 2.91Å |
| 50 | V | 77.3 | Confident | 73.1 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.3 | -48.7 | 176.1 | 177.1 | 0 | 0 | 0 | 0 | 111 | A46 L47 Y48 E52 T53 V54 | A46-V50 PolarHBondContact O-N 3.18Å; A46-V50 VanDerWaalsContact O-N 3.17Å; L47-V50 PolarHBondContact O-N 2.69Å; Y48-V50 VanDerWaalsContact C-N 3.29Å; Y48-V50 PolarHBondContact O-N 2.97Å; V50-E52 VanDerWaalsContact C-N 3.31Å; V50-E52 PolarHBondContact O-N 3.48Å; V50-T53 WeakPolarHBondContact O-CB 3.47Å; V50-T53 PolarHBondContact O-N 3.08Å; V50-T53 VanDerWaalsContact O-N 3.15Å; V50-V54 WeakPolarHBondContact O-CG2 3.32Å; V50-V54 PolarHBondContact O-N 2.91Å |
| 51 | I | 74.1 | Confident | 73.1 | Confident | 108 Ų | 108 | 65.1 Ų | 65.1 | 55% | 0.554 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.6 | -43.4 | 178.2 | -67.3 | 168 | 0 | 0 | 0 | 110.3 | L47 Y48 T53 V54 A55 | L47-I51 WeakPolarHBondContact O-CG1 3.32Å; L47-I51 PolarHBondContact O-N 3.27Å; Y48-I51 PolarHBondContact O-N 3.2Å; I51-T53 VanDerWaalsContact C-N 3.3Å; I51-T53 PolarHBondContact O-N 2.98Å; I51-V54 PolarHBondContact O-N 2.99Å; I51-A55 WeakPolarHBondContact O-CB 3.33Å; I51-A55 PolarHBondContact O-N 3.1Å |
| 52 | E | 75.9 | Confident | 73.1 | Confident | 20 Ų | 20 | 68.7 Ų | 68.7 | 9% | 0.093 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.4 | -45.6 | 175.3 | 169.9 | 165.3 | -142.1 | 0 | 0 | 111.2 | Y48 V50 V54 A55 D56 K69 | Y48-E52 HydrophobicContact CE1-CB 4.25Å; Y48-E52 WeakPolarHBondContact CE1-OE2 3.48Å; Y48-E52 HydrophobicContact CE2-CB 4.14Å; Y48-E52 VanDerWaalsContact O-CB 3.26Å; Y48-E52 WeakPolarHBondContact O-CB 3.49Å; Y48-E52 PolarHBondContact O-N 2.7Å; Y48-E52 PolarHBondContact OH-OE1 2.84Å; Y48-E52 PolarHBondContact OH-OE2 3.41Å; V50-E52 VanDerWaalsContact C-N 3.31Å; V50-E52 PolarHBondContact O-N 3.48Å; E52-V54 PolarHBondContact O-N 3.39Å; E52-A55 PolarHBondContact O-N 3.25Å; E52-D56 WeakPolarHBondContact O-CB 3.39Å; E52-D56 PolarHBondContact O-N 2.77Å; E52-K69 WeakPolarHBondContact OE1-CE 3.49Å; E52-K69 IonicContact OE1-NZ 2.66Å; E52-K69 PolarHBondContact OE1-NZ 3.17Å |
| 53 | T | 74.7 | Confident | 72.5 | Confident | 77 Ų | 77 | 70.3 Ų | 70.3 | 47% | 0.472 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 179.8 | -56.5 | 0 | 0 | 0 | 0 | 111.3 | T49 V50 I51 Q57 | T49-T53 PolarHBondContact O-N 2.86Å; T49-T53 VanDerWaalsContact O-N 3.07Å; T49-T53 PolarHBondContact O-OG1 2.91Å; V50-T53 WeakPolarHBondContact O-CB 3.47Å; V50-T53 PolarHBondContact O-N 3.08Å; V50-T53 VanDerWaalsContact O-N 3.15Å; I51-T53 VanDerWaalsContact C-N 3.3Å; I51-T53 PolarHBondContact O-N 2.98Å; T53-Q57 PolarHBondContact O-N 3.32Å |
| 54 | V | 75.4 | Confident | 72.2 | Confident | 86 Ų | 86 | 73 Ų | 73 | 52% | 0.521 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 178.1 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | V50 I51 E52 Q57 T58 | V50-V54 WeakPolarHBondContact O-CG2 3.32Å; V50-V54 PolarHBondContact O-N 2.91Å; I51-V54 PolarHBondContact O-N 2.99Å; E52-V54 PolarHBondContact O-N 3.39Å; V54-Q57 PolarHBondContact O-N 3.06Å; V54-T58 HydrophobicContact CG1-CG2 4.45Å; V54-T58 WeakPolarHBondContact O-CG2 3.49Å; V54-T58 PolarHBondContact O-N 3.38Å; V54-T58 PolarHBondContact O-OG1 3.36Å |
| 55 | A | 73.6 | Confident | 72 | Confident | 12 Ų | 12 | 75 Ų | 75 | 10% | 0.099 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -74.4 | -32.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I51 E52 Q57 T58 V59 Y65 | I51-A55 WeakPolarHBondContact O-CB 3.33Å; I51-A55 PolarHBondContact O-N 3.1Å; E52-A55 PolarHBondContact O-N 3.25Å; A55-Q57 PolarHBondContact O-N 2.77Å; A55-T58 WeakPolarHBondContact CA-OG1 3.33Å; A55-T58 PolarHBondContact O-N 3.2Å; A55-V59 HydrophobicContact CB-CG2 4.42Å; A55-V59 WeakPolarHBondContact O-CA 3.43Å; A55-V59 WeakPolarHBondContact O-CB 3.42Å; A55-V59 PolarHBondContact O-N 2.79Å; A55-Y65 WeakPolarHBondContact CB-OH 3.35Å |
| 56 | D | 70.7 | Confident | 71.7 | Confident | 31 Ų | 31 | 77.4 Ų | 77.4 | 17% | 0.166 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.3 | -33.9 | 168 | -83.7 | -10.7 | 0 | 0 | 0 | 111.8 | E52 A60 K69 | E52-D56 WeakPolarHBondContact O-CB 3.39Å; E52-D56 PolarHBondContact O-N 2.77Å; D56-A60 VanDerWaalsContact O-CB 3.32Å; D56-A60 WeakPolarHBondContact O-CB 3.46Å; D56-K69 VanDerWaalsContact CG-NZ 3.28Å; D56-K69 IonicContact OD1-NZ 3.24Å; D56-K69 PolarHBondContact OD1-NZ 2.83Å; D56-K69 IonicContact OD2-NZ 2.81Å; D56-K69 PolarHBondContact OD2-NZ 2.79Å |
| 57 | Q | 69.4 | Low | 71.6 | Confident | 168 Ų | 168 | 81.4 Ų | 81.4 | 79% | 0.785 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -80 | -25.7 | 179.6 | -162.9 | 157.3 | -41.8 | 0 | 0 | 113.2 | T53 V54 A55 | T53-Q57 PolarHBondContact O-N 3.32Å; V54-Q57 PolarHBondContact O-N 3.06Å; A55-Q57 PolarHBondContact O-N 2.77Å |
| 58 | T | 67.9 | Low | 71.6 | Confident | 82 Ų | 82 | 83.4 Ų | 83.4 | 50% | 0.503 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -107.6 | -29.9 | -171.5 | 51.1 | 0 | 0 | 0 | 0 | 114.1 | V54 A55 | V54-T58 HydrophobicContact CG1-CG2 4.45Å; V54-T58 WeakPolarHBondContact O-CG2 3.49Å; V54-T58 PolarHBondContact O-N 3.38Å; V54-T58 PolarHBondContact O-OG1 3.36Å; A55-T58 WeakPolarHBondContact CA-OG1 3.33Å; A55-T58 PolarHBondContact O-N 3.2Å |
| 59 | V | 68.3 | Low | 71.3 | Confident | 41 Ų | 41 | 83.5 Ų | 83.5 | 25% | 0.248 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -112.5 | 3.6 | -170.7 | -160 | 0 | 0 | 0 | 0 | 112.8 | A55 W61 F62 Y65 | A55-V59 HydrophobicContact CB-CG2 4.42Å; A55-V59 WeakPolarHBondContact O-CA 3.43Å; A55-V59 WeakPolarHBondContact O-CB 3.42Å; A55-V59 PolarHBondContact O-N 2.79Å; V59-W61 PolarHBondContact O-N 3.34Å; V59-F62 HydrophobicContact CG1-CB 4.18Å; V59-F62 PolarHBondContact O-N 3.27Å; V59-Y65 HydrophobicContact CB-CD1 4.03Å; V59-Y65 HydrophobicContact CB-CD2 3.98Å; V59-Y65 HydrophobicContact CB-CE1 3.99Å; V59-Y65 HydrophobicContact CB-CE2 3.93Å; V59-Y65 HydrophobicContact CB-CG 4.04Å; V59-Y65 HydrophobicContact CG1-CD1 4.02Å; V59-Y65 HydrophobicContact CG1-CD2 3.31Å; V59-Y65 HydrophobicContact CG1-CE1 4.35Å; V59-Y65 HydrophobicContact CG1-CE2 3.7Å; V59-Y65 HydrophobicContact CG1-CG 3.51Å; V59-Y65 HydrophobicContact CG2-CE2 4.27Å |
| 60 | A | 64.4 | Low | 71 | Confident | 55 Ų | 55 | 83.8 Ų | 83.8 | 46% | 0.455 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -15.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | D56 | D56-A60 VanDerWaalsContact O-CB 3.32Å; D56-A60 WeakPolarHBondContact O-CB 3.46Å |
| 61 | W | 70.8 | Confident | 70.9 | Confident | 206 Ų | 206 | 82.2 Ų | 82.2 | 78% | 0.78 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11 | 177.9 | 72.2 | -87.7 | 0 | 0 | 0 | 113.9 | V59 | V59-W61 PolarHBondContact O-N 3.34Š|
| 62 | F | 72.8 | Confident | 70.8 | Confident | 97 Ų | 97 | 82.4 Ų | 82.4 | 43% | 0.425 | 43% | 0.429 | S | S | . | . | trans | -99 | 119.2 | -175.4 | -161.2 | -97.2 | 0 | 0 | 0 | 112.6 | V59 L64 Y65 | V59-F62 HydrophobicContact CG1-CB 4.18Å; V59-F62 PolarHBondContact O-N 3.27Å; F62-L64 HydrophobicContact CD1-CB 4.24Å; F62-L64 HydrophobicContact CE1-CB 3.88Å; F62-L64 PolarHBondContact O-N 3.05Å; F62-Y65 VanDerWaalsContact O-CB 3.28Å; F62-Y65 WeakPolarHBondContact O-CB 3.38Å; F62-Y65 PolarHBondContact O-N 3.47Å | ||
| 63 | P | 64.6 | Low | 70.5 | Confident | 119 Ų | 119 | 82 Ų | 82 | 77% | 0.773 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -19.3 | -167.1 | 24.8 | -32.7 | 0 | 0 | 0 | 115.8 | ||
| 64 | L | 68.1 | Low | 70.2 | Confident | 113 Ų | 113 | 83.2 Ų | 83.2 | 59% | 0.592 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97 | 3.6 | 176.3 | -94.3 | 160 | 0 | 0 | 0 | 113.7 | F62 | F62-L64 HydrophobicContact CD1-CB 4.24Å; F62-L64 HydrophobicContact CE1-CB 3.88Å; F62-L64 PolarHBondContact O-N 3.05Å |
| 65 | Y | 69.5 | Low | 70.1 | Confident | 48 Ų | 48 | 84.4 Ų | 84.4 | 19% | 0.188 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -71.7 | -39.1 | -172.9 | 176.6 | -109.1 | 0 | 0 | 0 | 113.1 | A55 V59 F62 E67 L68 K69 | A55-Y65 WeakPolarHBondContact CB-OH 3.35Å; V59-Y65 HydrophobicContact CB-CD1 4.03Å; V59-Y65 HydrophobicContact CB-CD2 3.98Å; V59-Y65 HydrophobicContact CB-CE1 3.99Å; V59-Y65 HydrophobicContact CB-CE2 3.93Å; V59-Y65 HydrophobicContact CB-CG 4.04Å; V59-Y65 HydrophobicContact CG1-CD1 4.02Å; V59-Y65 HydrophobicContact CG1-CD2 3.31Å; V59-Y65 HydrophobicContact CG1-CE1 4.35Å; V59-Y65 HydrophobicContact CG1-CE2 3.7Å; V59-Y65 HydrophobicContact CG1-CG 3.51Å; V59-Y65 HydrophobicContact CG2-CE2 4.27Å; F62-Y65 VanDerWaalsContact O-CB 3.28Å; F62-Y65 WeakPolarHBondContact O-CB 3.38Å; F62-Y65 PolarHBondContact O-N 3.47Å; Y65-E67 PolarHBondContact O-N 3.41Å; Y65-L68 PolarHBondContact O-N 3.15Å; Y65-K69 HydrophobicContact CE1-CB 4.24Å; Y65-K69 HydrophobicContact CE1-CD 3.8Å; Y65-K69 HydrophobicContact CE1-CG 4.38Å; Y65-K69 WeakPolarHBondContact O-CB 3.48Å; Y65-K69 PolarHBondContact O-N 3.43Å |
| 66 | Y | 66.8 | Low | 69.6 | Low | 69 Ų | 69 | 84.5 Ų | 84.5 | 27% | 0.271 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | -174.3 | -71.1 | -77.5 | 0 | 0 | 0 | 113.6 | K69 I70 | Y66-K69 WeakPolarHBondContact O-CB 3.37Å; Y66-K69 PolarHBondContact O-N 3.23Å; Y66-I70 VanDerWaalsContact O-CG1 3.24Å; Y66-I70 WeakPolarHBondContact O-CG1 3.41Å; Y66-I70 PolarHBondContact O-N 3.42Å |
| 67 | E | 75.6 | Confident | 69.2 | Low | 138 Ų | 138 | 84.4 Ų | 84.4 | 65% | 0.645 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -69.1 | -47.9 | 178.2 | -65.6 | -65.2 | 162.5 | 0 | 0 | 111.6 | Y65 K69 I70 A71 | Y65-E67 PolarHBondContact O-N 3.41Å; E67-K69 VanDerWaalsContact C-N 3.3Å; E67-K69 PolarHBondContact O-N 3.33Å; E67-I70 PolarHBondContact O-N 3.4Å; E67-A71 WeakPolarHBondContact O-CB 3.1Å; E67-A71 PolarHBondContact O-N 2.95Å |
| 68 | L | 72.7 | Confident | 68.9 | Low | 124 Ų | 124 | 78 Ų | 78 | 65% | 0.649 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.4 | -36.4 | 175.1 | -80.8 | 167.9 | 0 | 0 | 0 | 111.7 | Y65 F72 | Y65-L68 PolarHBondContact O-N 3.15Å; L68-F72 VanDerWaalsContact O-CB 3.25Å; L68-F72 WeakPolarHBondContact O-CB 3.29Å; L68-F72 PolarHBondContact O-N 3.24Å |
| 69 | K | 69.8 | Low | 68.1 | Low | 15 Ų | 15 | 78.1 Ų | 78.1 | 7% | 0.065 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.4 | -57.6 | 172.2 | 179.7 | -173.3 | 177.1 | -169.8 | 0 | 109.3 | E52 D56 Y65 Y66 E67 A71 F72 V73 | E52-K69 WeakPolarHBondContact OE1-CE 3.49Å; E52-K69 IonicContact OE1-NZ 2.66Å; E52-K69 PolarHBondContact OE1-NZ 3.17Å; D56-K69 VanDerWaalsContact CG-NZ 3.28Å; D56-K69 IonicContact OD1-NZ 3.24Å; D56-K69 PolarHBondContact OD1-NZ 2.83Å; D56-K69 IonicContact OD2-NZ 2.81Å; D56-K69 PolarHBondContact OD2-NZ 2.79Å; Y65-K69 HydrophobicContact CE1-CB 4.24Å; Y65-K69 HydrophobicContact CE1-CD 3.8Å; Y65-K69 HydrophobicContact CE1-CG 4.38Å; Y65-K69 WeakPolarHBondContact O-CB 3.48Å; Y65-K69 PolarHBondContact O-N 3.43Å; Y66-K69 WeakPolarHBondContact O-CB 3.37Å; Y66-K69 PolarHBondContact O-N 3.23Å; E67-K69 VanDerWaalsContact C-N 3.3Å; E67-K69 PolarHBondContact O-N 3.33Å; K69-A71 VanDerWaalsContact C-N 3.3Å; K69-A71 PolarHBondContact O-N 3.19Å; K69-F72 PolarHBondContact O-N 3.47Å; K69-F72 VanDerWaalsContact O-N 3.12Å; K69-V73 HydrophobicContact CG-CG2 4.29Å; K69-V73 WeakPolarHBondContact O-CB 3.14Å; K69-V73 WeakPolarHBondContact O-CG2 3.38Å; K69-V73 PolarHBondContact O-N 2.83Å |
| 70 | I | 69.1 | Low | 67 | Low | 60 Ų | 60 | 86.4 Ų | 86.4 | 31% | 0.308 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.3 | -39.8 | -178.4 | -67.8 | 165.1 | 0 | 0 | 0 | 111.5 | Y66 E67 V73 I74 | Y66-I70 VanDerWaalsContact O-CG1 3.24Å; Y66-I70 WeakPolarHBondContact O-CG1 3.41Å; Y66-I70 PolarHBondContact O-N 3.42Å; E67-I70 PolarHBondContact O-N 3.4Å; I70-V73 WeakPolarHBondContact O-CB 3.31Å; I70-V73 PolarHBondContact O-N 3.48Å; I70-I74 HydrophobicContact CG2-CD1 3.67Å; I70-I74 HydrophobicContact CG2-CG1 4.28Å; I70-I74 WeakPolarHBondContact O-CB 3.3Å; I70-I74 VanDerWaalsContact O-CG1 3.25Å; I70-I74 WeakPolarHBondContact O-CG1 3.49Å; I70-I74 PolarHBondContact O-N 3.23Å |
| 71 | A | 75.2 | Confident | 66.5 | Low | 57 Ų | 57 | 87.6 Ų | 87.6 | 47% | 0.471 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E67 K69 V73 I74 W75 | E67-A71 WeakPolarHBondContact O-CB 3.1Å; E67-A71 PolarHBondContact O-N 2.95Å; K69-A71 VanDerWaalsContact C-N 3.3Å; K69-A71 PolarHBondContact O-N 3.19Å; A71-V73 VanDerWaalsContact C-N 3.31Å; A71-V73 PolarHBondContact O-N 2.97Å; A71-I74 PolarHBondContact O-N 3.29Å; A71-W75 VanDerWaalsContact O-CB 3.28Å; A71-W75 WeakPolarHBondContact O-CB 3.19Å; A71-W75 PolarHBondContact O-N 3.07Å |
| 72 | F | 71.8 | Confident | 66 | Low | 113 Ų | 113 | 85 Ų | 85 | 50% | 0.496 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -64 | -39.4 | 176 | -169.8 | -103.7 | 0 | 0 | 0 | 111.5 | L68 K69 W75 L76 | L68-F72 VanDerWaalsContact O-CB 3.25Å; L68-F72 WeakPolarHBondContact O-CB 3.29Å; L68-F72 PolarHBondContact O-N 3.24Å; K69-F72 PolarHBondContact O-N 3.47Å; K69-F72 VanDerWaalsContact O-N 3.12Å; F72-W75 HydrophobicContact CD2-CE3 4.45Å; F72-W75 HydrophobicContact CE2-CE3 4.27Å; F72-W75 HydrophobicContact CE2-CZ3 4.29Å; F72-W75 PolarHBondContact O-N 3.25Å; F72-L76 HydrophobicContact CD1-CD1 3.91Å; F72-L76 HydrophobicContact CE1-CD1 3.33Å; F72-L76 HydrophobicContact CE2-CD1 4.42Å; F72-L76 HydrophobicContact CZ-CD1 3.64Å; F72-L76 WeakPolarHBondContact O-CB 3.22Å; F72-L76 PolarHBondContact O-N 2.87Å |
| 73 | V | 68.4 | Low | 65.5 | Low | 11 Ų | 11 | 80.4 Ų | 80.4 | 7% | 0.067 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.1 | -52.4 | 175.6 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | V11 Y48 K69 I70 A71 W75 L76 L77 | V11-V73 HydrophobicContact CG2-CG1 4.33Å; Y48-V73 HydrophobicContact CD2-CG2 4.4Å; Y48-V73 HydrophobicContact CE1-CG1 4.36Å; Y48-V73 HydrophobicContact CE1-CG2 4.28Å; Y48-V73 HydrophobicContact CE2-CB 4.44Å; Y48-V73 HydrophobicContact CE2-CG2 3.33Å; Y48-V73 WeakPolarHBondContact OH-CG2 3.48Å; K69-V73 HydrophobicContact CG-CG2 4.29Å; K69-V73 WeakPolarHBondContact O-CB 3.14Å; K69-V73 WeakPolarHBondContact O-CG2 3.38Å; K69-V73 PolarHBondContact O-N 2.83Å; I70-V73 WeakPolarHBondContact O-CB 3.31Å; I70-V73 PolarHBondContact O-N 3.48Å; A71-V73 VanDerWaalsContact C-N 3.31Å; A71-V73 PolarHBondContact O-N 2.97Å; V73-W75 PolarHBondContact O-N 2.97Å; V73-L76 CarbonylContact O-C 3.49Å; V73-L76 WeakPolarHBondContact O-CB 3.32Å; V73-L76 PolarHBondContact O-N 2.66Å; V73-L76 VanDerWaalsContact O-N 3.1Å; V73-L77 HydrophobicContact CG1-CD1 3.56Å; V73-L77 WeakPolarHBondContact O-CB 3.45Å; V73-L77 WeakPolarHBondContact O-CD1 3.49Å; V73-L77 PolarHBondContact O-N 2.88Å |
| 74 | I | 69.5 | Low | 65.3 | Low | 102 Ų | 102 | 75.4 Ų | 75.4 | 52% | 0.523 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -60.6 | -39.5 | 177.7 | -69.5 | 168.3 | 0 | 0 | 0 | 110.4 | I70 A71 L76 L77 S78 | I70-I74 HydrophobicContact CG2-CD1 3.67Å; I70-I74 HydrophobicContact CG2-CG1 4.28Å; I70-I74 WeakPolarHBondContact O-CB 3.3Å; I70-I74 VanDerWaalsContact O-CG1 3.25Å; I70-I74 WeakPolarHBondContact O-CG1 3.49Å; I70-I74 PolarHBondContact O-N 3.23Å; A71-I74 PolarHBondContact O-N 3.29Å; I74-L76 VanDerWaalsContact C-N 3.34Å; I74-L76 PolarHBondContact O-N 2.83Å; I74-L77 PolarHBondContact O-N 3.06Å; I74-S78 VanDerWaalsContact O-CB 3.26Å; I74-S78 WeakPolarHBondContact O-CB 3.39Å; I74-S78 PolarHBondContact O-N 2.79Å |
| 75 | W | 72.3 | Confident | 64.9 | Low | 112 Ų | 112 | 72 Ų | 72 | 42% | 0.424 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.5 | -38 | 175.7 | -177.1 | 81.2 | 0 | 0 | 0 | 112.7 | A71 F72 V73 | A71-W75 VanDerWaalsContact O-CB 3.28Å; A71-W75 WeakPolarHBondContact O-CB 3.19Å; A71-W75 PolarHBondContact O-N 3.07Å; F72-W75 HydrophobicContact CD2-CE3 4.45Å; F72-W75 HydrophobicContact CE2-CE3 4.27Å; F72-W75 HydrophobicContact CE2-CZ3 4.29Å; F72-W75 PolarHBondContact O-N 3.25Å; V73-W75 PolarHBondContact O-N 2.97Å |
| 76 | L | 64.8 | Low | 64.7 | Low | 14 Ų | 14 | 75 Ų | 75 | 7% | 0.073 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -72.8 | -42.4 | 175.8 | -128.8 | 112 | 0 | 0 | 0 | 112.4 | V44 Y48 F72 V73 I74 S78 I87 | V44-L76 HydrophobicContact CG1-CD2 3.44Å; V44-L76 VanDerWaalsContact CG1-CD2 3.44Å; V44-L76 HydrophobicContact CG1-CG 4.4Å; Y48-L76 HydrophobicContact CD2-CD2 4.48Å; Y48-L76 HydrophobicContact CG-CD2 4.41Å; F72-L76 HydrophobicContact CD1-CD1 3.91Å; F72-L76 HydrophobicContact CE1-CD1 3.33Å; F72-L76 HydrophobicContact CE2-CD1 4.42Å; F72-L76 HydrophobicContact CZ-CD1 3.64Å; F72-L76 WeakPolarHBondContact O-CB 3.22Å; F72-L76 PolarHBondContact O-N 2.87Å; V73-L76 CarbonylContact O-C 3.49Å; V73-L76 WeakPolarHBondContact O-CB 3.32Å; V73-L76 PolarHBondContact O-N 2.66Å; V73-L76 VanDerWaalsContact O-N 3.1Å; I74-L76 VanDerWaalsContact C-N 3.34Å; I74-L76 PolarHBondContact O-N 2.83Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 3.4Å; L76-I87 HydrophobicContact CD1-CD1 3.63Å; L76-I87 HydrophobicContact CD2-CD1 4.42Å; L76-I87 HydrophobicContact CG-CD1 4Å |
| 77 | L | 62.6 | Low | 64.7 | Low | 29 Ų | 29 | 74 Ų | 74 | 15% | 0.152 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -68.8 | -29.7 | 179.3 | -96 | 77.5 | 0 | 0 | 0 | 111.4 | V73 I74 P79 | V73-L77 HydrophobicContact CG1-CD1 3.56Å; V73-L77 WeakPolarHBondContact O-CB 3.45Å; V73-L77 WeakPolarHBondContact O-CD1 3.49Å; V73-L77 PolarHBondContact O-N 2.88Å; I74-L77 PolarHBondContact O-N 3.06Å; L77-P79 WeakPolarHBondContact O-CD 3.39Å |
| 78 | S | 62.1 | Low | 64.1 | Low | 33 Ų | 33 | 69.9 Ų | 69.9 | 23% | 0.231 | 35% | 0.354 | C | S | . | . | trans | -57.8 | 106.4 | -179.6 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | I74 L76 Y80 T81 | I74-S78 VanDerWaalsContact O-CB 3.26Å; I74-S78 WeakPolarHBondContact O-CB 3.39Å; I74-S78 PolarHBondContact O-N 2.79Å; L76-S78 VanDerWaalsContact C-N 3.28Å; L76-S78 PolarHBondContact O-N 3.4Å; S78-Y80 PolarHBondContact O-N 3.45Å; S78-Y80 VanDerWaalsContact O-N 3.16Å; S78-Y80 PolarHBondContact OG-N 3.24Å; S78-T81 WeakPolarHBondContact CB-OG1 3.44Å; S78-T81 PolarHBondContact OG-N 3.07Å; S78-T81 PolarHBondContact OG-OG1 2.87Å | ||
| 79 | P | 51.6 | Low | 63.6 | Low | 85 Ų | 85 | 73.6 Ų | 73.6 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -9 | 176.4 | 31.6 | -31.7 | 0 | 0 | 0 | 111.1 | L77 | L77-P79 WeakPolarHBondContact O-CD 3.39Š|
| 80 | Y | 43.8 | Very low | 63.3 | Low | 215 Ų | 215 | 80.4 Ų | 80.4 | 84% | 0.843 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -38 | -174.3 | -150.7 | -95.2 | 0 | 0 | 0 | 112.7 | S78 K82 | S78-Y80 PolarHBondContact O-N 3.45Å; S78-Y80 VanDerWaalsContact O-N 3.16Å; S78-Y80 PolarHBondContact OG-N 3.24Å; Y80-K82 VanDerWaalsContact C-N 3.28Å; Y80-K82 PolarHBondContact O-N 3.36Å |
| 81 | T | 53.7 | Low | 62.9 | Low | 80 Ų | 80 | 84.2 Ų | 84.2 | 49% | 0.491 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 0.1 | 179.9 | 37.1 | 0 | 0 | 0 | 0 | 113.8 | S78 G83 | S78-T81 WeakPolarHBondContact CB-OG1 3.44Å; S78-T81 PolarHBondContact OG-N 3.07Å; S78-T81 PolarHBondContact OG-OG1 2.87Å; T81-G83 PolarHBondContact O-N 2.77Å; T81-G83 VanDerWaalsContact O-N 3.11Å |
| 82 | K | 60.5 | Low | 62.2 | Low | 151 Ų | 151 | 82 Ų | 82 | 66% | 0.657 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 20.9 | -178.8 | -58.3 | 178.4 | -178.2 | 170.1 | 0 | 113.8 | Y80 A84 S85 L86 | Y80-K82 VanDerWaalsContact C-N 3.28Å; Y80-K82 PolarHBondContact O-N 3.36Å; K82-A84 VanDerWaalsContact C-N 3.34Å; K82-A84 PolarHBondContact O-N 2.77Å; K82-S85 CarbonylContact O-C 3.51Å; K82-S85 WeakPolarHBondContact O-CA 2.99Å; K82-S85 WeakPolarHBondContact O-CB 3.15Å; K82-S85 PolarHBondContact O-N 2.81Å; K82-L86 PolarHBondContact O-N 3.46Å |
| 83 | G | 63.8 | Low | 61.6 | Low | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -55.9 | -47.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | T81 S85 L86 I87 | T81-G83 PolarHBondContact O-N 2.77Å; T81-G83 VanDerWaalsContact O-N 3.11Å; G83-S85 VanDerWaalsContact C-N 3.32Å; G83-S85 PolarHBondContact O-N 3.17Å; G83-L86 PolarHBondContact O-N 3.41Å; G83-I87 WeakPolarHBondContact O-CG1 3.47Å; G83-I87 PolarHBondContact O-N 3.48Å; G83-I87 VanDerWaalsContact O-N 3.07Å |
| 84 | A | 60.7 | Low | 61.2 | Low | 13 Ų | 13 | 84.9 Ų | 84.9 | 11% | 0.107 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.2 | -38.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | V44 K82 Y88 | V44-A84 HydrophobicContact CB-CB 4.06Å; V44-A84 HydrophobicContact CG1-CB 3.85Å; V44-A84 HydrophobicContact CG2-CB 4.09Å; K82-A84 VanDerWaalsContact C-N 3.34Å; K82-A84 PolarHBondContact O-N 2.77Å; A84-Y88 VanDerWaalsContact O-CB 3.23Å; A84-Y88 WeakPolarHBondContact O-CB 3.48Å; A84-Y88 PolarHBondContact O-N 3.35Å |
| 85 | S | 59.5 | Low | 60.7 | Low | 42 Ų | 42 | 85.1 Ų | 85.1 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -72.2 | -31.7 | 179.5 | -165.4 | 0 | 0 | 0 | 0 | 112.7 | K82 G83 R89 | K82-S85 CarbonylContact O-C 3.51Å; K82-S85 WeakPolarHBondContact O-CA 2.99Å; K82-S85 WeakPolarHBondContact O-CB 3.15Å; K82-S85 PolarHBondContact O-N 2.81Å; G83-S85 VanDerWaalsContact C-N 3.32Å; G83-S85 PolarHBondContact O-N 3.17Å; S85-R89 WeakPolarHBondContact O-CB 3.37Å; S85-R89 PolarHBondContact O-N 2.94Å |
| 86 | L | 64.8 | Low | 60 | Low | 112 Ų | 112 | 82.6 Ų | 82.6 | 59% | 0.586 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -68.5 | -45.5 | 174.8 | -156.8 | 85 | 0 | 0 | 0 | 110.9 | K82 G83 Y88 R89 K90 | K82-L86 PolarHBondContact O-N 3.46Å; G83-L86 PolarHBondContact O-N 3.41Å; L86-Y88 VanDerWaalsContact C-N 3.35Å; L86-R89 PolarHBondContact O-N 2.93Å; L86-K90 WeakPolarHBondContact O-CB 3.46Å; L86-K90 PolarHBondContact O-N 3.39Å |
| 87 | I | 67.4 | Low | 59.7 | Low | 46 Ų | 46 | 85.5 Ų | 85.5 | 24% | 0.236 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 174.4 | -66.3 | 169.3 | 0 | 0 | 0 | 110.1 | L76 G83 R89 K90 F91 L92 | L76-I87 HydrophobicContact CD1-CD1 3.63Å; L76-I87 HydrophobicContact CD2-CD1 4.42Å; L76-I87 HydrophobicContact CG-CD1 4Å; G83-I87 WeakPolarHBondContact O-CG1 3.47Å; G83-I87 PolarHBondContact O-N 3.48Å; G83-I87 VanDerWaalsContact O-N 3.07Å; I87-R89 PolarHBondContact O-N 2.96Å; I87-K90 PolarHBondContact O-N 2.85Å; I87-F91 PolarHBondContact O-N 3.5Å; I87-L92 PolarHBondContact O-N 3.11Å; I87-L92 VanDerWaalsContact O-N 3.1Å |
| 88 | Y | 62 | Low | 59.4 | Low | 53 Ų | 53 | 88.4 Ų | 88.4 | 21% | 0.208 | 45% | 0.445 | C | S | . | . | I | π-helix | trans | -56.2 | -52.5 | 176.4 | -167.9 | -84.5 | 0 | 0 | 0 | 111.4 | M40 I43 A84 L86 L92 H93 | M40-Y88 HydrophobicContact CB-CD2 4.02Å; M40-Y88 HydrophobicContact CB-CE2 4.28Å; M40-Y88 HydrophobicContact CB-CG 4.45Å; M40-Y88 HydrophobicContact CG-CD1 4.24Å; M40-Y88 HydrophobicContact CG-CD2 3.8Å; M40-Y88 HydrophobicContact CG-CE1 4.19Å; M40-Y88 HydrophobicContact CG-CE2 3.74Å; M40-Y88 HydrophobicContact CG-CG 4.07Å; M40-Y88 HydrophobicContact SD-CD1 3.88Å; M40-Y88 HydrophobicContact SD-CD2 4.41Å; M40-Y88 HydrophobicContact SD-CE1 4.08Å; M40-Y88 HydrophobicContact SD-CG 4.07Å; I43-Y88 HydrophobicContact CD1-CE2 4.15Å; A84-Y88 VanDerWaalsContact O-CB 3.23Å; A84-Y88 WeakPolarHBondContact O-CB 3.48Å; A84-Y88 PolarHBondContact O-N 3.35Å; L86-Y88 VanDerWaalsContact C-N 3.35Å; Y88-L92 HydrophobicContact CD2-CB 4.19Å; Y88-L92 HydrophobicContact CD2-CD2 3.28Å; Y88-L92 HydrophobicContact CD2-CG 4.33Å; Y88-L92 HydrophobicContact CE2-CD2 3.34Å; Y88-L92 HydrophobicContact CG-CB 4.32Å; Y88-L92 HydrophobicContact CG-CD2 4.2Å; Y88-L92 CarbonylContact O-C 3.58Å; Y88-L92 WeakPolarHBondContact O-CA 3.49Å; Y88-L92 WeakPolarHBondContact O-CB 3.28Å; Y88-L92 PolarHBondContact O-N 3.37Å; Y88-H93 WeakPolarHBondContact O-CB 3.33Å; Y88-H93 PolarHBondContact O-N 2.97Å |
| 89 | R | 61.5 | Low | 59.2 | Low | 202 Ų | 202 | 91.1 Ų | 91.1 | 76% | 0.762 | 45% | 0.452 | S | S | * | . | I | π-helix | trans | -69.5 | -34.4 | -178.6 | -87 | 178.8 | 145.4 | -174.9 | -7 | 113.9 | S85 L86 I87 | S85-R89 WeakPolarHBondContact O-CB 3.37Å; S85-R89 PolarHBondContact O-N 2.94Å; L86-R89 PolarHBondContact O-N 2.93Å; I87-R89 PolarHBondContact O-N 2.96Å |
| 90 | K | 64.1 | Low | 59.5 | Low | 158 Ų | 158 | 92.2 Ų | 92.2 | 69% | 0.687 | 45% | 0.45 | S | S | * | . | I | π-helix | trans | -93.1 | -38 | -169.3 | -160.6 | 172.2 | -174.8 | -175.4 | 0 | 113.8 | L86 I87 P94 | L86-K90 WeakPolarHBondContact O-CB 3.46Å; L86-K90 PolarHBondContact O-N 3.39Å; I87-K90 PolarHBondContact O-N 2.85Å; K90-P94 WeakPolarHBondContact O-CG 3.49Å |
| 91 | F | 60.9 | Low | 60.1 | Low | 139 Ų | 139 | 91.8 Ų | 91.8 | 61% | 0.61 | 45% | 0.447 | S | S | * | . | I | π-helix | trans | -110.5 | -43.4 | -178.8 | -89 | -86.8 | 0 | 0 | 0 | 112 | I87 P94 L95 | I87-F91 PolarHBondContact O-N 3.5Å; F91-P94 WeakPolarHBondContact O-CD 3.33Å; F91-P94 WeakPolarHBondContact O-CG 3.25Å; F91-L95 WeakPolarHBondContact O-CB 3.17Å; F91-L95 PolarHBondContact O-N 3.25Å |
| 92 | L | 61.3 | Low | 60.5 | Low | 11 Ų | 11 | 92.1 Ų | 92.1 | 6% | 0.058 | 44% | 0.443 | C | S | . | . | I | π-helix | trans | -78 | -42.3 | -168.6 | -138.5 | 102.5 | 0 | 0 | 0 | 112.9 | I43 L47 I87 Y88 L95 L96 | I43-L92 HydrophobicContact CB-CD2 4.3Å; I43-L92 HydrophobicContact CG2-CD2 3.48Å; I43-L92 VanDerWaalsContact CG2-CD2 3.48Å; L47-L92 HydrophobicContact CD1-CD1 3.15Å; L47-L92 HydrophobicContact CD1-CG 4.38Å; I87-L92 PolarHBondContact O-N 3.11Å; I87-L92 VanDerWaalsContact O-N 3.1Å; Y88-L92 HydrophobicContact CD2-CB 4.19Å; Y88-L92 HydrophobicContact CD2-CD2 3.28Å; Y88-L92 HydrophobicContact CD2-CG 4.33Å; Y88-L92 HydrophobicContact CE2-CD2 3.34Å; Y88-L92 HydrophobicContact CG-CB 4.32Å; Y88-L92 HydrophobicContact CG-CD2 4.2Å; Y88-L92 CarbonylContact O-C 3.58Å; Y88-L92 WeakPolarHBondContact O-CA 3.49Å; Y88-L92 WeakPolarHBondContact O-CB 3.28Å; Y88-L92 PolarHBondContact O-N 3.37Å; L92-L95 PolarHBondContact O-N 3.23Å; L92-L96 HydrophobicContact CB-CD1 4.49Å; L92-L96 HydrophobicContact CD2-CD1 3.28Å; L92-L96 HydrophobicContact CG-CD1 3.71Å; L92-L96 VanDerWaalsContact O-CB 3.32Å; L92-L96 WeakPolarHBondContact O-CB 3.32Å; L92-L96 PolarHBondContact O-N 3.36Å |
| 93 | H | 58.2 | Low | 60.5 | Low | 114 Ų | 114 | 88.9 Ų | 88.9 | 53% | 0.528 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.6 | -47 | 177.9 | -170.2 | -83.9 | 0 | 0 | 0 | 112.9 | Y88 S97 | Y88-H93 WeakPolarHBondContact O-CB 3.33Å; Y88-H93 PolarHBondContact O-N 2.97Å; H93-S97 WeakPolarHBondContact O-CB 3.41Å; H93-S97 PolarHBondContact O-N 2.96Å |
| 94 | P | 59.2 | Low | 60.6 | Low | 70 Ų | 70 | 93.2 Ų | 93.2 | 46% | 0.455 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.2 | -34.7 | 174.7 | 24.7 | -32 | 0 | 0 | 0 | 113.4 | K90 F91 S98 | K90-P94 WeakPolarHBondContact O-CG 3.49Å; F91-P94 WeakPolarHBondContact O-CD 3.33Å; F91-P94 WeakPolarHBondContact O-CG 3.25Å; P94-S98 WeakPolarHBondContact O-CB 3.12Å; P94-S98 PolarHBondContact O-N 3.38Å; P94-S98 VanDerWaalsContact O-N 3.1Å |
| 95 | L | 60 | Low | 61.1 | Low | 108 Ų | 108 | 97.2 Ų | 97.2 | 57% | 0.565 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.2 | -47.6 | 177.4 | -105.8 | 146.1 | 0 | 0 | 0 | 112.6 | F91 L92 K99 | F91-L95 WeakPolarHBondContact O-CB 3.17Å; F91-L95 PolarHBondContact O-N 3.25Å; L92-L95 PolarHBondContact O-N 3.23Å; L95-K99 VanDerWaalsContact O-CB 3.27Å; L95-K99 WeakPolarHBondContact O-CB 3.26Å; L95-K99 VanDerWaalsContact O-CG 3.3Å; L95-K99 WeakPolarHBondContact O-CG 3.5Å; L95-K99 PolarHBondContact O-N 3.17Å; L95-K99 VanDerWaalsContact O-N 3.09Å |
| 96 | L | 58.1 | Low | 61.5 | Low | 59 Ų | 59 | 102.6 Ų | 102.6 | 31% | 0.309 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.1 | -49.9 | 176.5 | -92.8 | 143.9 | 0 | 0 | 0 | 110.7 | L92 S98 K99 E100 | L92-L96 HydrophobicContact CB-CD1 4.49Å; L92-L96 HydrophobicContact CD2-CD1 3.28Å; L92-L96 HydrophobicContact CG-CD1 3.71Å; L92-L96 VanDerWaalsContact O-CB 3.32Å; L92-L96 WeakPolarHBondContact O-CB 3.32Å; L92-L96 PolarHBondContact O-N 3.36Å; L96-S98 PolarHBondContact O-N 3.22Å; L96-K99 CarbonylContact O-C 3.58Å; L96-K99 PolarHBondContact O-N 3.35Å; L96-E100 WeakPolarHBondContact O-CA 3.39Å; L96-E100 VanDerWaalsContact O-CB 3.29Å; L96-E100 WeakPolarHBondContact O-CB 3.2Å; L96-E100 PolarHBondContact O-N 3.09Å |
| 97 | S | 57.1 | Low | 61.6 | Low | 75 Ų | 75 | 102 Ų | 102 | 52% | 0.524 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -30.8 | -178.8 | -171.6 | 0 | 0 | 0 | 0 | 112.6 | H93 | H93-S97 WeakPolarHBondContact O-CB 3.41Å; H93-S97 PolarHBondContact O-N 2.96Å |
| 98 | S | 58 | Low | 61.9 | Low | 89 Ų | 89 | 103.4 Ų | 103.4 | 62% | 0.622 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -77.6 | -22.9 | 174.1 | -175.3 | 0 | 0 | 0 | 0 | 114 | P94 L96 | P94-S98 WeakPolarHBondContact O-CB 3.12Å; P94-S98 PolarHBondContact O-N 3.38Å; P94-S98 VanDerWaalsContact O-N 3.1Å; L96-S98 PolarHBondContact O-N 3.22Å |
| 99 | K | 57.2 | Low | 62.7 | Low | 90 Ų | 90 | 104.9 Ų | 104.9 | 39% | 0.391 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -111.8 | -10.8 | -174.8 | -66.4 | -60.8 | -171.4 | -174.2 | 0 | 114.3 | L95 L96 R101 E102 I103 | L95-K99 VanDerWaalsContact O-CB 3.27Å; L95-K99 WeakPolarHBondContact O-CB 3.26Å; L95-K99 VanDerWaalsContact O-CG 3.3Å; L95-K99 WeakPolarHBondContact O-CG 3.5Å; L95-K99 PolarHBondContact O-N 3.17Å; L95-K99 VanDerWaalsContact O-N 3.09Å; L96-K99 CarbonylContact O-C 3.58Å; L96-K99 PolarHBondContact O-N 3.35Å; K99-R101 PolarHBondContact O-N 3.14Å; K99-E102 WeakPolarHBondContact CD-OE2 3.47Å; K99-E102 WeakPolarHBondContact CE-OE2 3.37Å; K99-E102 IonicContact NZ-OE1 3.97Å; K99-E102 IonicContact NZ-OE2 2.67Å; K99-E102 PolarHBondContact NZ-OE2 3.35Å; K99-E102 PolarHBondContact O-N 2.97Å; K99-E102 VanDerWaalsContact O-N 3.16Å; K99-I103 HydrophobicContact CB-CD1 4.24Å; K99-I103 VanDerWaalsContact O-CG1 3.28Å; K99-I103 WeakPolarHBondContact O-CG1 3.35Å; K99-I103 PolarHBondContact O-N 3.48Å |
| 100 | E | 56.9 | Low | 63.2 | Low | 109 Ų | 109 | 98.3 Ų | 98.3 | 51% | 0.509 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.9 | -48 | 179.1 | -130.2 | 174.6 | 172.8 | 0 | 0 | 110.7 | L96 E102 I103 D104 | L96-E100 WeakPolarHBondContact O-CA 3.39Å; L96-E100 VanDerWaalsContact O-CB 3.29Å; L96-E100 WeakPolarHBondContact O-CB 3.2Å; L96-E100 PolarHBondContact O-N 3.09Å; E100-E102 VanDerWaalsContact C-N 3.31Å; E100-E102 PolarHBondContact O-N 3.12Å; E100-I103 PolarHBondContact O-N 3.44Å; E100-D104 WeakPolarHBondContact O-CB 3.34Å; E100-D104 PolarHBondContact O-N 2.9Å |
| 101 | R | 57.2 | Low | 63.5 | Low | 206 Ų | 206 | 98.6 Ų | 98.6 | 78% | 0.777 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.9 | -42.2 | 176.7 | -77.8 | -174.9 | 171 | 178.3 | -3.2 | 112.3 | K99 D105 | K99-R101 PolarHBondContact O-N 3.14Å; R101-D105 VanDerWaalsContact O-CB 3.28Å; R101-D105 WeakPolarHBondContact O-CB 3.06Å; R101-D105 PolarHBondContact O-N 3.35Å |
| 102 | E | 61.5 | Low | 64.4 | Low | 86 Ų | 86 | 97.6 Ų | 97.6 | 40% | 0.402 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.8 | -43.9 | -179.9 | -133.3 | 177.9 | -172 | 0 | 0 | 110.9 | K99 E100 D105 Y106 | K99-E102 WeakPolarHBondContact CD-OE2 3.47Å; K99-E102 WeakPolarHBondContact CE-OE2 3.37Å; K99-E102 IonicContact NZ-OE1 3.97Å; K99-E102 IonicContact NZ-OE2 2.67Å; K99-E102 PolarHBondContact NZ-OE2 3.35Å; K99-E102 PolarHBondContact O-N 2.97Å; K99-E102 VanDerWaalsContact O-N 3.16Å; E100-E102 VanDerWaalsContact C-N 3.31Å; E100-E102 PolarHBondContact O-N 3.12Å; E102-D105 PolarHBondContact O-N 3.25Å; E102-Y106 HydrophobicContact CG-CD2 4.4Å; E102-Y106 HydrophobicContact CG-CE2 4.01Å; E102-Y106 WeakPolarHBondContact O-CB 3.46Å; E102-Y106 WeakPolarHBondContact O-CD2 3.24Å; E102-Y106 PolarHBondContact O-N 3Å |
| 103 | I | 61.4 | Low | 65.2 | Low | 84 Ų | 84 | 104.8 Ų | 104.8 | 43% | 0.431 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.3 | -43.5 | 179 | -66.9 | 165.4 | 0 | 0 | 0 | 110.8 | K99 E100 Y106 I107 | K99-I103 HydrophobicContact CB-CD1 4.24Å; K99-I103 VanDerWaalsContact O-CG1 3.28Å; K99-I103 WeakPolarHBondContact O-CG1 3.35Å; K99-I103 PolarHBondContact O-N 3.48Å; E100-I103 PolarHBondContact O-N 3.44Å; I103-Y106 PolarHBondContact O-N 3.37Å; I103-I107 HydrophobicContact CG2-CD1 3.69Å; I103-I107 HydrophobicContact CG2-CG1 4.37Å; I103-I107 WeakPolarHBondContact O-CB 3.23Å; I103-I107 VanDerWaalsContact O-CG1 3.24Å; I103-I107 WeakPolarHBondContact O-CG1 3.34Å; I103-I107 PolarHBondContact O-N 3.47Å |
| 104 | D | 65.4 | Low | 66.2 | Low | 91 Ų | 91 | 101.3 Ų | 101.3 | 49% | 0.487 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 175.6 | -84 | -13.5 | 0 | 0 | 0 | 110.9 | E100 Y106 I107 V108 | E100-D104 WeakPolarHBondContact O-CB 3.34Å; E100-D104 PolarHBondContact O-N 2.9Å; D104-Y106 VanDerWaalsContact C-N 3.33Å; D104-Y106 PolarHBondContact O-N 2.92Å; D104-I107 PolarHBondContact O-N 3.5Å; D104-V108 WeakPolarHBondContact O-CB 3.28Å; D104-V108 WeakPolarHBondContact O-CG2 3.25Å; D104-V108 PolarHBondContact O-N 3.18Å |
| 105 | D | 70.9 | Confident | 67.3 | Low | 98 Ų | 98 | 106 Ų | 106 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -38.6 | 176.6 | -73.1 | -18.5 | 0 | 0 | 0 | 111.9 | R101 E102 Q109 | R101-D105 VanDerWaalsContact O-CB 3.28Å; R101-D105 WeakPolarHBondContact O-CB 3.06Å; R101-D105 PolarHBondContact O-N 3.35Å; E102-D105 PolarHBondContact O-N 3.25Å; D105-Q109 WeakPolarHBondContact O-CB 3.44Å; D105-Q109 WeakPolarHBondContact O-CG 3.41Å; D105-Q109 PolarHBondContact O-N 3.32Å |
| 106 | Y | 67.6 | Low | 68.5 | Low | 154 Ų | 154 | 106.8 Ų | 106.8 | 60% | 0.604 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.9 | -40.2 | 174.6 | -84.1 | -63.5 | 0 | 0 | 0 | 112.7 | E102 I103 D104 A110 | E102-Y106 HydrophobicContact CG-CD2 4.4Å; E102-Y106 HydrophobicContact CG-CE2 4.01Å; E102-Y106 WeakPolarHBondContact O-CB 3.46Å; E102-Y106 WeakPolarHBondContact O-CD2 3.24Å; E102-Y106 PolarHBondContact O-N 3Å; I103-Y106 PolarHBondContact O-N 3.37Å; D104-Y106 VanDerWaalsContact C-N 3.33Å; D104-Y106 PolarHBondContact O-N 2.92Å; Y106-A110 WeakPolarHBondContact O-CB 3.3Å; Y106-A110 PolarHBondContact O-N 3.44Å |
| 107 | I | 68.8 | Low | 69.9 | Low | 101 Ų | 101 | 107.7 Ų | 107.7 | 52% | 0.518 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 177.7 | -71 | 168.5 | 0 | 0 | 0 | 110.5 | I103 D104 A110 K111 | I103-I107 HydrophobicContact CG2-CD1 3.69Å; I103-I107 HydrophobicContact CG2-CG1 4.37Å; I103-I107 WeakPolarHBondContact O-CB 3.23Å; I103-I107 VanDerWaalsContact O-CG1 3.24Å; I103-I107 WeakPolarHBondContact O-CG1 3.34Å; I103-I107 PolarHBondContact O-N 3.47Å; D104-I107 PolarHBondContact O-N 3.5Å; I107-A110 PolarHBondContact O-N 2.9Å; I107-K111 VanDerWaalsContact O-CB 3.32Å; I107-K111 WeakPolarHBondContact O-CB 3.39Å; I107-K111 PolarHBondContact O-N 2.81Å |
| 108 | V | 73.1 | Confident | 71.3 | Confident | 74 Ų | 74 | 111 Ų | 111 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.7 | -49.3 | 176.6 | 173 | 0 | 0 | 0 | 0 | 109.9 | D104 A110 K111 E112 | D104-V108 WeakPolarHBondContact O-CB 3.28Å; D104-V108 WeakPolarHBondContact O-CG2 3.25Å; D104-V108 PolarHBondContact O-N 3.18Å; V108-A110 PolarHBondContact O-N 3.48Å; V108-K111 WeakPolarHBondContact O-CB 3.04Å; V108-K111 PolarHBondContact O-N 2.83Å; V108-E112 PolarHBondContact O-N 2.92Å |
| 109 | Q | 77.6 | Confident | 72.7 | Confident | 85 Ų | 85 | 108.6 Ų | 108.6 | 40% | 0.397 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -40.6 | 175.8 | -83.4 | -175.7 | 61.9 | 0 | 0 | 113.1 | D105 K111 E112 R113 | D105-Q109 WeakPolarHBondContact O-CB 3.44Å; D105-Q109 WeakPolarHBondContact O-CG 3.41Å; D105-Q109 PolarHBondContact O-N 3.32Å; Q109-K111 VanDerWaalsContact C-N 3.32Å; Q109-K111 PolarHBondContact O-N 3.12Å; Q109-E112 PolarHBondContact O-N 3.46Å; Q109-R113 WeakPolarHBondContact O-CB 2.95Å; Q109-R113 VanDerWaalsContact O-CG 3.27Å; Q109-R113 WeakPolarHBondContact O-CG 3.13Å; Q109-R113 PolarHBondContact O-N 2.84Å; Q109-R113 VanDerWaalsContact OE1-NH2 3.14Å |
| 110 | A | 72.3 | Confident | 74.3 | Confident | 64 Ų | 64 | 108.2 Ų | 108.2 | 53% | 0.529 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -39 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y106 I107 V108 G114 | Y106-A110 WeakPolarHBondContact O-CB 3.3Å; Y106-A110 PolarHBondContact O-N 3.44Å; I107-A110 PolarHBondContact O-N 2.9Å; V108-A110 PolarHBondContact O-N 3.48Å; A110-G114 PolarHBondContact O-N 3.33Å |
| 111 | K | 70.6 | Confident | 75.9 | Confident | 164 Ų | 164 | 109.8 Ų | 109.8 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.2 | -44.9 | 175.8 | -175.1 | -177.7 | 177.8 | -173.2 | 0 | 111.7 | I107 V108 Q109 G114 Y115 | I107-K111 VanDerWaalsContact O-CB 3.32Å; I107-K111 WeakPolarHBondContact O-CB 3.39Å; I107-K111 PolarHBondContact O-N 2.81Å; V108-K111 WeakPolarHBondContact O-CB 3.04Å; V108-K111 PolarHBondContact O-N 2.83Å; Q109-K111 VanDerWaalsContact C-N 3.32Å; Q109-K111 PolarHBondContact O-N 3.12Å; K111-G114 PolarHBondContact O-N 2.92Å; K111-Y115 VanDerWaalsContact O-CB 3.31Å; K111-Y115 WeakPolarHBondContact O-CB 3.11Å; K111-Y115 PolarHBondContact O-N 3.1Å |
| 112 | E | 79.3 | Confident | 77.5 | Confident | 118 Ų | 118 | 101.8 Ų | 101.8 | 55% | 0.551 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.2 | -47.8 | 177.2 | -96 | 152.6 | 179.4 | 0 | 0 | 111.9 | V108 Q109 G114 Y115 E116 | V108-E112 PolarHBondContact O-N 2.92Å; Q109-E112 PolarHBondContact O-N 3.46Å; E112-G114 VanDerWaalsContact C-N 3.31Å; E112-G114 PolarHBondContact O-N 2.87Å; E112-Y115 PolarHBondContact O-N 3.35Å; E112-E116 WeakPolarHBondContact O-CG 3.4Å; E112-E116 PolarHBondContact O-N 3.47Å |
| 113 | R | 78.8 | Confident | 78.8 | Confident | 161 Ų | 161 | 105 Ų | 105 | 61% | 0.608 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.9 | -40.5 | 175.4 | -71.1 | 179.7 | -169.5 | -174.6 | 7.4 | 112.1 | Q109 T117 | Q109-R113 WeakPolarHBondContact O-CB 2.95Å; Q109-R113 VanDerWaalsContact O-CG 3.27Å; Q109-R113 WeakPolarHBondContact O-CG 3.13Å; Q109-R113 PolarHBondContact O-N 2.84Å; Q109-R113 VanDerWaalsContact OE1-NH2 3.14Å; R113-T117 WeakPolarHBondContact O-CB 3.26Å; R113-T117 PolarHBondContact O-N 3.31Å; R113-T117 PolarHBondContact O-OG1 3.31Å |
| 114 | G | 80.3 | Confident | 80.3 | Confident | 41 Ų | 41 | 106.5 Ų | 106.5 | 42% | 0.423 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A110 K111 E112 T117 M118 | A110-G114 PolarHBondContact O-N 3.33Å; K111-G114 PolarHBondContact O-N 2.92Å; E112-G114 VanDerWaalsContact C-N 3.31Å; E112-G114 PolarHBondContact O-N 2.87Å; G114-T117 PolarHBondContact O-N 3.5Å; G114-M118 WeakPolarHBondContact O-CB 3.35Å; G114-M118 PolarHBondContact O-N 3.49Å |
| 115 | Y | 81.3 | Confident | 81.5 | Confident | 169 Ų | 169 | 104 Ų | 104 | 66% | 0.663 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -67.4 | -45.8 | 179 | -171 | -97.8 | 0 | 0 | 0 | 112 | K111 E112 T117 M118 V119 | K111-Y115 VanDerWaalsContact O-CB 3.31Å; K111-Y115 WeakPolarHBondContact O-CB 3.11Å; K111-Y115 PolarHBondContact O-N 3.1Å; E112-Y115 PolarHBondContact O-N 3.35Å; Y115-T117 VanDerWaalsContact C-N 3.34Å; Y115-T117 PolarHBondContact O-N 3.28Å; Y115-M118 PolarHBondContact O-N 3.46Å; Y115-V119 HydrophobicContact CD1-CG2 4.02Å; Y115-V119 HydrophobicContact CE1-CG2 3.68Å; Y115-V119 HydrophobicContact CE2-CG2 4.44Å; Y115-V119 WeakPolarHBondContact O-CB 3.18Å; Y115-V119 VanDerWaalsContact O-CG2 3.3Å; Y115-V119 WeakPolarHBondContact O-CG2 3.37Å; Y115-V119 PolarHBondContact O-N 3.18Å |
| 116 | E | 85.8 | Confident | 82.6 | Confident | 124 Ų | 124 | 105.1 Ų | 105.1 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.4 | -42.7 | 175.7 | -75.3 | -169.3 | 155.8 | 0 | 0 | 112 | E112 M118 V119 N120 | E112-E116 WeakPolarHBondContact O-CG 3.4Å; E112-E116 PolarHBondContact O-N 3.47Å; E116-M118 PolarHBondContact O-N 3.16Å; E116-V119 PolarHBondContact O-N 2.95Å; E116-N120 VanDerWaalsContact O-CB 3.3Å; E116-N120 WeakPolarHBondContact O-CB 3.42Å; E116-N120 VanDerWaalsContact O-CG 3.24Å; E116-N120 PolarHBondContact O-N 2.74Å; E116-N120 PolarHBondContact O-ND2 3.05Å |
| 117 | T | 87.9 | Confident | 83.7 | Confident | 79 Ų | 79 | 103 Ų | 103 | 49% | 0.485 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.1 | -44.7 | 176.9 | -55.9 | 0 | 0 | 0 | 0 | 110.8 | R113 G114 Y115 N120 F121 | R113-T117 WeakPolarHBondContact O-CB 3.26Å; R113-T117 PolarHBondContact O-N 3.31Å; R113-T117 PolarHBondContact O-OG1 3.31Å; G114-T117 PolarHBondContact O-N 3.5Å; Y115-T117 VanDerWaalsContact C-N 3.34Å; Y115-T117 PolarHBondContact O-N 3.28Å; T117-N120 PolarHBondContact O-N 3.4Å; T117-F121 HydrophobicContact CG2-CD2 4.11Å; T117-F121 HydrophobicContact CG2-CE2 4.42Å; T117-F121 WeakPolarHBondContact O-CB 3.45Å; T117-F121 PolarHBondContact O-N 2.89Å |
| 118 | M | 86 | Confident | 84.8 | Confident | 143 Ų | 143 | 104.2 Ų | 104.2 | 70% | 0.704 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.9 | -45.1 | 177.3 | -172.2 | 83 | 115.5 | 0 | 0 | 112 | G114 Y115 E116 F121 G122 | G114-M118 WeakPolarHBondContact O-CB 3.35Å; G114-M118 PolarHBondContact O-N 3.49Å; Y115-M118 PolarHBondContact O-N 3.46Å; E116-M118 PolarHBondContact O-N 3.16Å; M118-F121 PolarHBondContact O-N 3.08Å; M118-G122 PolarHBondContact O-N 3.24Å |
| 119 | V | 87.7 | Confident | 85.7 | Confident | 40 Ų | 40 | 103.6 Ų | 103.6 | 24% | 0.242 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -67.7 | -40.8 | -179.9 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | Y115 E116 G122 R123 | Y115-V119 HydrophobicContact CD1-CG2 4.02Å; Y115-V119 HydrophobicContact CE1-CG2 3.68Å; Y115-V119 HydrophobicContact CE2-CG2 4.44Å; Y115-V119 WeakPolarHBondContact O-CB 3.18Å; Y115-V119 VanDerWaalsContact O-CG2 3.3Å; Y115-V119 WeakPolarHBondContact O-CG2 3.37Å; Y115-V119 PolarHBondContact O-N 3.18Å; E116-V119 PolarHBondContact O-N 2.95Å; V119-G122 PolarHBondContact O-N 2.99Å; V119-R123 HydrophobicContact CG1-CG 4.49Å; V119-R123 WeakPolarHBondContact O-CB 3.26Å; V119-R123 WeakPolarHBondContact O-CG 3.03Å; V119-R123 PolarHBondContact O-N 2.93Å |
| 120 | N | 90.9 | Very high | 86.3 | Confident | 81 Ų | 81 | 102 Ų | 102 | 43% | 0.433 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 177.2 | -73.3 | -22.9 | 0 | 0 | 0 | 111.5 | E116 T117 R123 Q124 | E116-N120 VanDerWaalsContact O-CB 3.3Å; E116-N120 WeakPolarHBondContact O-CB 3.42Å; E116-N120 VanDerWaalsContact O-CG 3.24Å; E116-N120 PolarHBondContact O-N 2.74Å; E116-N120 PolarHBondContact O-ND2 3.05Å; T117-N120 PolarHBondContact O-N 3.4Å; N120-R123 PolarHBondContact O-N 3.34Å; N120-Q124 WeakPolarHBondContact O-CB 3.46Å; N120-Q124 VanDerWaalsContact O-CG 3.29Å; N120-Q124 WeakPolarHBondContact O-CG 3.28Å; N120-Q124 PolarHBondContact O-N 3.21Å |
| 121 | F | 88.8 | Confident | 87.2 | Confident | 143 Ų | 143 | 103.2 Ų | 103.2 | 63% | 0.627 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 171.6 | -103.4 | -90.1 | 0 | 0 | 0 | 112.3 | T117 M118 R123 Q124 G125 | T117-F121 HydrophobicContact CG2-CD2 4.11Å; T117-F121 HydrophobicContact CG2-CE2 4.42Å; T117-F121 WeakPolarHBondContact O-CB 3.45Å; T117-F121 PolarHBondContact O-N 2.89Å; M118-F121 PolarHBondContact O-N 3.08Å; F121-R123 PolarHBondContact O-N 3.47Å; F121-Q124 PolarHBondContact O-N 3.24Å; F121-G125 PolarHBondContact O-N 3.17Å |
| 122 | G | 91.4 | Very high | 88.2 | Confident | 38 Ų | 38 | 98.2 Ų | 98.2 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M118 V119 G125 L126 | M118-G122 PolarHBondContact O-N 3.24Å; V119-G122 PolarHBondContact O-N 2.99Å; G122-G125 PolarHBondContact O-N 3.4Å; G122-L126 WeakPolarHBondContact O-CB 3.27Å; G122-L126 VanDerWaalsContact O-CG 3.32Å; G122-L126 WeakPolarHBondContact O-CG 3.35Å; G122-L126 PolarHBondContact O-N 3.33Å |
| 123 | R | 89.5 | Confident | 88.9 | Confident | 153 Ų | 153 | 95.4 Ų | 95.4 | 58% | 0.577 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.6 | -41.7 | 175.8 | -74.7 | 177.9 | 177.6 | 161 | -0.9 | 112.4 | V119 N120 F121 L126 N127 | V119-R123 HydrophobicContact CG1-CG 4.49Å; V119-R123 WeakPolarHBondContact O-CB 3.26Å; V119-R123 WeakPolarHBondContact O-CG 3.03Å; V119-R123 PolarHBondContact O-N 2.93Å; N120-R123 PolarHBondContact O-N 3.34Å; F121-R123 PolarHBondContact O-N 3.47Å; R123-L126 PolarHBondContact O-N 3.31Å; R123-N127 WeakPolarHBondContact O-CB 3.37Å; R123-N127 VanDerWaalsContact O-CG 3.31Å; R123-N127 PolarHBondContact O-N 3.43Å; R123-N127 PolarHBondContact O-ND2 2.95Å |
| 124 | Q | 92.3 | Very high | 89.4 | Confident | 115 Ų | 115 | 92.1 Ų | 92.1 | 54% | 0.537 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -43.4 | 175.3 | -76.1 | 176 | -7.7 | 0 | 0 | 111.4 | N120 F121 N127 L128 | N120-Q124 WeakPolarHBondContact O-CB 3.46Å; N120-Q124 VanDerWaalsContact O-CG 3.29Å; N120-Q124 WeakPolarHBondContact O-CG 3.28Å; N120-Q124 PolarHBondContact O-N 3.21Å; F121-Q124 PolarHBondContact O-N 3.24Å; Q124-N127 PolarHBondContact O-N 3.01Å; Q124-L128 WeakPolarHBondContact O-CB 2.98Å; Q124-L128 VanDerWaalsContact O-CG 3.31Å; Q124-L128 WeakPolarHBondContact O-CG 3.28Å; Q124-L128 PolarHBondContact O-N 3.2Å |
| 125 | G | 91.1 | Very high | 89.9 | Confident | 39 Ų | 39 | 94.2 Ų | 94.2 | 40% | 0.402 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 174.9 | 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 3.15Å; G125-A129 WeakPolarHBondContact O-CB 3.49Å; G125-A129 PolarHBondContact O-N 3.04Å |
| 126 | L | 92.9 | Very high | 90.3 | Very high | 122 Ų | 122 | 89 Ų | 89 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.4 | -42.4 | 177 | -73.7 | 171.5 | 0 | 0 | 0 | 112.4 | G122 R123 A129 A130 | G122-L126 WeakPolarHBondContact O-CB 3.27Å; G122-L126 VanDerWaalsContact O-CG 3.32Å; G122-L126 WeakPolarHBondContact O-CG 3.35Å; G122-L126 PolarHBondContact O-N 3.33Å; R123-L126 PolarHBondContact O-N 3.31Å; L126-A129 PolarHBondContact O-N 2.9Å; L126-A130 VanDerWaalsContact O-CB 3.32Å; L126-A130 WeakPolarHBondContact O-CB 3.43Å; L126-A130 PolarHBondContact O-N 2.91Å |
| 127 | N | 91.7 | Very high | 90.5 | Very high | 108 Ų | 108 | 86 Ų | 86 | 58% | 0.578 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.7 | -42.4 | 177.6 | -76 | -20.1 | 0 | 0 | 0 | 111.4 | R123 Q124 A129 A130 T131 | R123-N127 WeakPolarHBondContact O-CB 3.37Å; R123-N127 VanDerWaalsContact O-CG 3.31Å; R123-N127 PolarHBondContact O-N 3.43Å; R123-N127 PolarHBondContact O-ND2 2.95Å; Q124-N127 PolarHBondContact O-N 3.01Å; N127-A129 PolarHBondContact O-N 3.37Å; N127-A130 PolarHBondContact O-N 3.43Å; N127-T131 PolarHBondContact O-N 3.28Å; N127-T131 PolarHBondContact O-OG1 2.91Å |
| 128 | L | 91.3 | Very high | 90.5 | Very high | 128 Ų | 128 | 85.5 Ų | 85.5 | 67% | 0.67 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 174.9 | -74.8 | 169.4 | 0 | 0 | 0 | 112 | Q124 G125 T131 A132 | Q124-L128 WeakPolarHBondContact O-CB 2.98Å; Q124-L128 VanDerWaalsContact O-CG 3.31Å; Q124-L128 WeakPolarHBondContact O-CG 3.28Å; Q124-L128 PolarHBondContact O-N 3.2Å; G125-L128 PolarHBondContact O-N 3.15Å; L128-T131 PolarHBondContact O-N 3.34Å; L128-A132 WeakPolarHBondContact O-CB 3.32Å; L128-A132 PolarHBondContact O-N 3.48Å |
| 129 | A | 92.8 | Very high | 90.6 | Very high | 60 Ų | 60 | 85.3 Ų | 85.3 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | G125 L126 N127 A132 A133 | G125-A129 WeakPolarHBondContact O-CB 3.49Å; G125-A129 PolarHBondContact O-N 3.04Å; L126-A129 PolarHBondContact O-N 2.9Å; N127-A129 PolarHBondContact O-N 3.37Å; A129-A132 PolarHBondContact O-N 2.84Å; A129-A133 WeakPolarHBondContact O-CB 3.41Å; A129-A133 PolarHBondContact O-N 3.38Å |
| 130 | A | 90.3 | Very high | 90.3 | Very high | 52 Ų | 52 | 88.4 Ų | 88.4 | 43% | 0.43 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L126 N127 A133 V134 | L126-A130 VanDerWaalsContact O-CB 3.32Å; L126-A130 WeakPolarHBondContact O-CB 3.43Å; L126-A130 PolarHBondContact O-N 2.91Å; N127-A130 PolarHBondContact O-N 3.43Å; A130-A133 PolarHBondContact O-N 3.12Å; A130-V134 WeakPolarHBondContact O-CG2 3.3Å; A130-V134 PolarHBondContact O-N 2.9Å |
| 131 | T | 90.9 | Very high | 89.9 | Confident | 89 Ų | 89 | 91 Ų | 91 | 55% | 0.546 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.6 | -45.3 | 176.2 | -55.1 | 0 | 0 | 0 | 0 | 111.4 | N127 L128 A133 V134 T135 | N127-T131 PolarHBondContact O-N 3.28Å; N127-T131 PolarHBondContact O-OG1 2.91Å; L128-T131 PolarHBondContact O-N 3.34Å; T131-A133 VanDerWaalsContact C-N 3.34Å; T131-A133 PolarHBondContact O-N 3.5Å; T131-V134 PolarHBondContact O-N 3.49Å; T131-T135 PolarHBondContact O-N 3.39Å; T131-T135 PolarHBondContact O-OG1 3.33Å |
| 132 | A | 92.1 | Very high | 89.1 | Confident | 59 Ų | 59 | 92.3 Ų | 92.3 | 49% | 0.488 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L128 A129 T135 A136 | L128-A132 WeakPolarHBondContact O-CB 3.32Å; L128-A132 PolarHBondContact O-N 3.48Å; A129-A132 PolarHBondContact O-N 2.84Å; A132-T135 PolarHBondContact O-N 2.83Å; A132-A136 WeakPolarHBondContact O-CB 3.35Å; A132-A136 PolarHBondContact O-N 3.02Å |
| 133 | A | 92.8 | Very high | 88.3 | Confident | 60 Ų | 60 | 95.9 Ų | 95.9 | 50% | 0.496 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | A129 A130 T131 A136 A137 | A129-A133 WeakPolarHBondContact O-CB 3.41Å; A129-A133 PolarHBondContact O-N 3.38Å; A130-A133 PolarHBondContact O-N 3.12Å; T131-A133 VanDerWaalsContact C-N 3.34Å; T131-A133 PolarHBondContact O-N 3.5Å; A133-A136 PolarHBondContact O-N 3.39Å; A133-A137 WeakPolarHBondContact O-CB 3.22Å; A133-A137 PolarHBondContact O-N 3.17Å |
| 134 | V | 90.6 | Very high | 87.3 | Confident | 92 Ų | 92 | 93 Ų | 93 | 56% | 0.558 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 110.7 | A130 T131 A136 A137 V138 | A130-V134 WeakPolarHBondContact O-CG2 3.3Å; A130-V134 PolarHBondContact O-N 2.9Å; T131-V134 PolarHBondContact O-N 3.49Å; V134-A136 VanDerWaalsContact C-N 3.34Å; V134-A136 PolarHBondContact O-N 3.39Å; V134-A137 PolarHBondContact O-N 2.93Å; V134-V138 HydrophobicContact CG1-CG2 4.19Å; V134-V138 WeakPolarHBondContact O-CB 3.44Å; V134-V138 WeakPolarHBondContact O-CG2 3.2Å; V134-V138 PolarHBondContact O-N 2.8Å |
| 135 | T | 89.4 | Confident | 85.8 | Confident | 84 Ų | 84 | 89.3 Ų | 89.3 | 52% | 0.515 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 176.8 | -55.2 | 0 | 0 | 0 | 0 | 112 | T131 A132 K139 | T131-T135 PolarHBondContact O-N 3.39Å; T131-T135 PolarHBondContact O-OG1 3.33Å; A132-T135 PolarHBondContact O-N 2.83Å; T135-K139 VanDerWaalsContact O-CB 3.26Å; T135-K139 WeakPolarHBondContact O-CB 3.42Å; T135-K139 PolarHBondContact O-N 2.7Å |
| 136 | A | 90.3 | Very high | 84.4 | Confident | 60 Ų | 60 | 90.1 Ų | 90.1 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -46.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A132 A133 V134 K139 D140 | A132-A136 WeakPolarHBondContact O-CB 3.35Å; A132-A136 PolarHBondContact O-N 3.02Å; A133-A136 PolarHBondContact O-N 3.39Å; V134-A136 VanDerWaalsContact C-N 3.34Å; V134-A136 PolarHBondContact O-N 3.39Å; A136-K139 PolarHBondContact O-N 2.85Å; A136-D140 WeakPolarHBondContact O-CB 3.47Å; A136-D140 PolarHBondContact O-N 3.39Å |
| 137 | A | 89.9 | Confident | 82.6 | Confident | 61 Ų | 61 | 88.2 Ų | 88.2 | 50% | 0.504 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A133 V134 D140 F141 | A133-A137 WeakPolarHBondContact O-CB 3.22Å; A133-A137 PolarHBondContact O-N 3.17Å; V134-A137 PolarHBondContact O-N 2.93Å; A137-D140 PolarHBondContact O-N 2.95Å; A137-F141 WeakPolarHBondContact O-CB 3.47Å; A137-F141 PolarHBondContact O-N 3.44Å |
| 138 | V | 88 | Confident | 81 | Confident | 68 Ų | 68 | 89 Ų | 89 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | 175.3 | 169 | 0 | 0 | 0 | 0 | 110.6 | V134 D140 F141 W142 | V134-V138 HydrophobicContact CG1-CG2 4.19Å; V134-V138 WeakPolarHBondContact O-CB 3.44Å; V134-V138 WeakPolarHBondContact O-CG2 3.2Å; V134-V138 PolarHBondContact O-N 2.8Å; V138-D140 VanDerWaalsContact C-N 3.35Å; V138-D140 PolarHBondContact O-N 3.24Å; V138-F141 WeakPolarHBondContact O-CB 3.41Å; V138-F141 PolarHBondContact O-N 3.35Å; V138-W142 VanDerWaalsContact CG1-CD1 3.47Å; V138-W142 PolarHBondContact O-N 3.47Å |
| 139 | K | 88.1 | Confident | 79.3 | Confident | 140 Ų | 140 | 89.9 Ų | 89.9 | 61% | 0.609 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.5 | -41.9 | 177.2 | -175.6 | 175.2 | 177.4 | -178.5 | 0 | 111.8 | T135 A136 W142 L143 | T135-K139 VanDerWaalsContact O-CB 3.26Å; T135-K139 WeakPolarHBondContact O-CB 3.42Å; T135-K139 PolarHBondContact O-N 2.7Å; A136-K139 PolarHBondContact O-N 2.85Å; K139-W142 PolarHBondContact O-N 3.25Å; K139-L143 HydrophobicContact CG-CD1 4.06Å; K139-L143 WeakPolarHBondContact O-CB 3.4Å; K139-L143 VanDerWaalsContact O-CG 3.28Å; K139-L143 WeakPolarHBondContact O-CG 3.03Å; K139-L143 PolarHBondContact O-N 2.96Å |
| 140 | D | 82 | Confident | 77.5 | Confident | 105 Ų | 105 | 95.4 Ų | 95.4 | 56% | 0.561 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65 | -41.5 | 176.5 | -162.3 | 50.9 | 0 | 0 | 0 | 111.6 | A136 A137 V138 W142 L143 T144 | A136-D140 WeakPolarHBondContact O-CB 3.47Å; A136-D140 PolarHBondContact O-N 3.39Å; A137-D140 PolarHBondContact O-N 2.95Å; V138-D140 VanDerWaalsContact C-N 3.35Å; V138-D140 PolarHBondContact O-N 3.24Å; D140-W142 PolarHBondContact O-N 3.25Å; D140-L143 PolarHBondContact O-N 3.17Å; D140-T144 PolarHBondContact O-N 3.48Å; D140-T144 PolarHBondContact O-OG1 3Å |
| 141 | F | 81.3 | Confident | 75.5 | Confident | 135 Ų | 135 | 97.2 Ų | 97.2 | 59% | 0.592 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.8 | -42.6 | 174 | -178 | -95.8 | 0 | 0 | 0 | 112.7 | A137 V138 T144 S145 | A137-F141 WeakPolarHBondContact O-CB 3.47Å; A137-F141 PolarHBondContact O-N 3.44Å; V138-F141 WeakPolarHBondContact O-CB 3.41Å; V138-F141 PolarHBondContact O-N 3.35Å; F141-T144 WeakPolarHBondContact CA-OG1 3.32Å; F141-T144 PolarHBondContact O-OG1 3.04Å; F141-S145 WeakPolarHBondContact O-CB 3.39Å; F141-S145 PolarHBondContact O-N 3.39Å; F141-S145 VanDerWaalsContact O-N 3.08Å; F141-S145 PolarHBondContact O-OG 3.34Å |
| 142 | W | 72.9 | Confident | 73.5 | Confident | 171 Ų | 171 | 103 Ų | 103 | 65% | 0.648 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.9 | -38.2 | 175.9 | -75.3 | 114 | 0 | 0 | 0 | 112.7 | V138 K139 D140 S145 A146 | V138-W142 VanDerWaalsContact CG1-CD1 3.47Å; V138-W142 PolarHBondContact O-N 3.47Å; K139-W142 PolarHBondContact O-N 3.25Å; D140-W142 PolarHBondContact O-N 3.25Å; W142-S145 WeakPolarHBondContact CA-OG 3.37Å; W142-S145 PolarHBondContact O-N 3.08Å; W142-S145 PolarHBondContact O-OG 3.35Å; W142-A146 WeakPolarHBondContact O-CB 3.47Å; W142-A146 PolarHBondContact O-N 3.3Å |
| 143 | L | 74.3 | Confident | 72.6 | Confident | 112 Ų | 112 | 105.2 Ų | 105.2 | 59% | 0.586 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -69.3 | -34.6 | 178.4 | -73.7 | 167.2 | 0 | 0 | 0 | 112.6 | K139 D140 | K139-L143 HydrophobicContact CG-CD1 4.06Å; K139-L143 WeakPolarHBondContact O-CB 3.4Å; K139-L143 VanDerWaalsContact O-CG 3.28Å; K139-L143 WeakPolarHBondContact O-CG 3.03Å; K139-L143 PolarHBondContact O-N 2.96Å; D140-L143 PolarHBondContact O-N 3.17Å |
| 144 | T | 69.3 | Low | 71.5 | Confident | 92 Ų | 92 | 107.5 Ų | 107.5 | 56% | 0.564 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -79.2 | -24.6 | 176.5 | 39.3 | 0 | 0 | 0 | 0 | 113.6 | D140 F141 P147 | D140-T144 PolarHBondContact O-N 3.48Å; D140-T144 PolarHBondContact O-OG1 3Å; F141-T144 WeakPolarHBondContact CA-OG1 3.32Å; F141-T144 PolarHBondContact O-OG1 3.04Å; T144-P147 WeakPolarHBondContact O-CD 3.02Å |
| 145 | S | 60.4 | Low | 70.4 | Confident | 38 Ų | 38 | 108.4 Ų | 108.4 | 27% | 0.266 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -90.4 | -20.7 | 177.3 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | F141 W142 L148 | F141-S145 WeakPolarHBondContact O-CB 3.39Å; F141-S145 PolarHBondContact O-N 3.39Å; F141-S145 VanDerWaalsContact O-N 3.08Å; F141-S145 PolarHBondContact O-OG 3.34Å; W142-S145 WeakPolarHBondContact CA-OG 3.37Å; W142-S145 PolarHBondContact O-N 3.08Å; W142-S145 PolarHBondContact O-OG 3.35Å; S145-L148 PolarHBondContact O-N 3.4Å |
| 146 | A | 60.3 | Low | 69.3 | Low | 57 Ų | 57 | 109.8 Ų | 109.8 | 47% | 0.471 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -55.2 | -36.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | W142 L148 | W142-A146 WeakPolarHBondContact O-CB 3.47Å; W142-A146 PolarHBondContact O-N 3.3Å; A146-L148 VanDerWaalsContact C-N 3.27Å; A146-L148 PolarHBondContact O-N 3.38Å |
| 147 | P | 56.9 | Low | 68 | Low | 82 Ų | 82 | 112.9 Ų | 112.9 | 53% | 0.532 | 61% | 0.606 | S | S | . | * | G | 310 helix | trans | -72.7 | -14.8 | -178.9 | -15.6 | 30.2 | 0 | 0 | 0 | 114.5 | T144 | T144-P147 WeakPolarHBondContact O-CD 3.02Š|
| 148 | L | 56.8 | Low | 66.6 | Low | 124 Ų | 124 | 116.4 Ų | 116.4 | 65% | 0.649 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -89.5 | -13.2 | -174.8 | -63.6 | 179 | 0 | 0 | 0 | 114 | S145 A146 S151 | S145-L148 PolarHBondContact O-N 3.4Å; A146-L148 VanDerWaalsContact C-N 3.27Å; A146-L148 PolarHBondContact O-N 3.38Å; L148-S151 PolarHBondContact O-OG 3.05Å |
| 149 | L | 56.4 | Low | 65 | Low | 146 Ų | 146 | 119.9 Ų | 119.9 | 76% | 0.764 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -92 | -4.7 | 177.2 | -71.2 | 174 | 0 | 0 | 0 | 113.5 | ||
| 150 | Q | 54.2 | Low | 63.2 | Low | 176 Ų | 176 | 118.3 Ų | 118.3 | 82% | 0.822 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -100 | -0.8 | 178.2 | -120.2 | 167.5 | -9.8 | 0 | 0 | 113.3 | ||
| 151 | S | 49.3 | Very low | 61.7 | Low | 90 Ų | 90 | 119.4 Ų | 119.4 | 63% | 0.629 | 63% | 0.634 | S | S | * | * | trans | -113.1 | 17.9 | -177.8 | 62.2 | 0 | 0 | 0 | 0 | 114.5 | L148 | L148-S151 PolarHBondContact O-OG 3.05Š| ||
| 152 | I | 48.1 | Very low | 59.9 | Low | 210 Ų | 210 | 118 Ų | 118 | 100% | 1.077 | 64% | 0.637 | S | S | * | * | trans | -119 | 0 | 165.2 | -57.2 | 178.1 | 0 | 0 | 0 | 107 |
Retrieved 152 of 152 residues in 44.3 ms
(Link to these results)