| 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 | 55 | Low | 77.5 | Confident | 189 Ų | 189 | 102.5 Ų | 102.5 | 93% | 0.931 | 52% | 0.519 | S | S | * | . | 0 | 118 | 0 | -66 | -61.5 | -108.5 | 0 | 0 | 106.9 | |||||
| 2 | P | 69.6 | Low | 78.4 | Confident | 67 Ų | 67 | 95.9 Ų | 95.9 | 44% | 0.435 | 48% | 0.484 | S | S | . | . | trans | -59 | 143.6 | 174.8 | -0.1 | 6.3 | 0 | 0 | 0 | 110.3 | E4 T5 | P2-E4 PolarHBondContact O-N 3.34Å; P2-T5 WeakPolarHBondContact CD-OG1 3.15Å; P2-T5 WeakPolarHBondContact CG-OG1 3.5Å; P2-T5 VanDerWaalsContact O-CB 3.3Å; P2-T5 WeakPolarHBondContact O-CB 3.5Å; P2-T5 PolarHBondContact O-N 3.27Å; P2-T5 PolarHBondContact O-OG1 3.1Å | ||
| 3 | E | 73.5 | Confident | 79.1 | Confident | 171 Ų | 171 | 97.1 Ų | 97.1 | 80% | 0.799 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.8 | -32.4 | -178.4 | -172.3 | 158.6 | -170.8 | 0 | 0 | 112.2 | T5 L6 G7 | E3-T5 VanDerWaalsContact C-N 3.26Å; E3-T5 PolarHBondContact O-N 3.27Å; E3-L6 PolarHBondContact O-N 3.28Å; E3-L6 VanDerWaalsContact O-N 3.16Å; E3-G7 PolarHBondContact O-N 3.18Å; E3-G7 VanDerWaalsContact O-N 3.07Å |
| 4 | E | 75.5 | Confident | 79.7 | Confident | 154 Ų | 154 | 98.9 Ų | 98.9 | 72% | 0.72 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.5 | -33.2 | 174.2 | -58.7 | 179.8 | 172.3 | 0 | 0 | 113.1 | P2 G7 T8 | P2-E4 PolarHBondContact O-N 3.34Å; E4-G7 PolarHBondContact O-N 3.38Å; E4-T8 PolarHBondContact O-N 3.34Å; E4-T8 PolarHBondContact O-OG1 2.9Å |
| 5 | T | 73.8 | Confident | 80.3 | Confident | 39 Ų | 39 | 96.3 Ų | 96.3 | 24% | 0.239 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -68.4 | -40.5 | 177.1 | -48.5 | 0 | 0 | 0 | 0 | 111 | P2 E3 L9 | P2-T5 WeakPolarHBondContact CD-OG1 3.15Å; P2-T5 WeakPolarHBondContact CG-OG1 3.5Å; P2-T5 VanDerWaalsContact O-CB 3.3Å; P2-T5 WeakPolarHBondContact O-CB 3.5Å; P2-T5 PolarHBondContact O-N 3.27Å; P2-T5 PolarHBondContact O-OG1 3.1Å; E3-T5 VanDerWaalsContact C-N 3.26Å; E3-T5 PolarHBondContact O-N 3.27Å; T5-L9 WeakPolarHBondContact O-CB 3.38Å; T5-L9 PolarHBondContact O-N 3.05Å; T5-L9 VanDerWaalsContact O-N 3.09Å |
| 6 | L | 78.8 | Confident | 80.5 | Confident | 102 Ų | 102 | 91.8 Ų | 91.8 | 53% | 0.534 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 177.2 | -66.4 | 176.9 | 0 | 0 | 0 | 111.2 | E3 L9 R10 | E3-L6 PolarHBondContact O-N 3.28Å; E3-L6 VanDerWaalsContact O-N 3.16Å; L6-L9 PolarHBondContact O-N 3.09Å; L6-R10 VanDerWaalsContact O-CB 3.31Å; L6-R10 WeakPolarHBondContact O-CB 3.35Å; L6-R10 PolarHBondContact O-N 3.48Å |
| 7 | G | 84.6 | Confident | 80.7 | Confident | 29 Ų | 29 | 94.3 Ų | 94.3 | 30% | 0.299 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.1 | -52.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E3 E4 L9 R10 D11 | E3-G7 PolarHBondContact O-N 3.18Å; E3-G7 VanDerWaalsContact O-N 3.07Å; E4-G7 PolarHBondContact O-N 3.38Å; G7-L9 VanDerWaalsContact C-N 3.32Å; G7-L9 PolarHBondContact O-N 3.26Å; G7-R10 WeakPolarHBondContact O-CB 3.39Å; G7-R10 PolarHBondContact O-N 3.15Å; G7-R10 VanDerWaalsContact O-N 3.13Å; G7-D11 VanDerWaalsContact O-CG 3.27Å; G7-D11 PolarHBondContact O-N 3Å |
| 8 | T | 83 | Confident | 81 | Confident | 33 Ų | 33 | 97.4 Ų | 97.4 | 20% | 0.202 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 179.5 | -51.5 | 0 | 0 | 0 | 0 | 112.2 | E4 R10 D11 F12 V29 R33 | E4-T8 PolarHBondContact O-N 3.34Å; E4-T8 PolarHBondContact O-OG1 2.9Å; T8-R10 VanDerWaalsContact C-N 3.35Å; T8-D11 PolarHBondContact O-N 3.37Å; T8-F12 WeakPolarHBondContact O-CB 3Å; T8-F12 PolarHBondContact O-N 3Å; T8-V29 HydrophobicContact CG2-CG1 3.91Å; T8-R33 VanDerWaalsContact OG1-CZ 3.31Å; T8-R33 PolarHBondContact OG1-NE 2.85Å; T8-R33 PolarHBondContact OG1-NH2 2.97Å |
| 9 | L | 84.1 | Confident | 81.2 | Confident | 64 Ų | 64 | 96.6 Ų | 96.6 | 34% | 0.335 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 178.4 | -177.7 | 63.6 | 0 | 0 | 0 | 111.4 | T5 L6 G7 F12 I13 L26 | T5-L9 WeakPolarHBondContact O-CB 3.38Å; T5-L9 PolarHBondContact O-N 3.05Å; T5-L9 VanDerWaalsContact O-N 3.09Å; L6-L9 PolarHBondContact O-N 3.09Å; G7-L9 VanDerWaalsContact C-N 3.32Å; G7-L9 PolarHBondContact O-N 3.26Å; L9-F12 PolarHBondContact O-N 3.44Å; L9-I13 HydrophobicContact CD1-CD1 4.44Å; L9-I13 HydrophobicContact CG-CD1 4.06Å; L9-I13 VanDerWaalsContact O-CG1 3.25Å; L9-I13 WeakPolarHBondContact O-CG1 3.4Å; L9-I13 PolarHBondContact O-N 3.05Å; L9-L26 HydrophobicContact CD1-CD1 3.37Å |
| 10 | R | 87.2 | Confident | 81.5 | Confident | 180 Ų | 180 | 99.5 Ų | 99.5 | 68% | 0.679 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.8 | -47.7 | 175.8 | -173.3 | -172.4 | -158.3 | 176.2 | 4.2 | 111.2 | L6 G7 T8 F12 I13 L14 | L6-R10 VanDerWaalsContact O-CB 3.31Å; L6-R10 WeakPolarHBondContact O-CB 3.35Å; L6-R10 PolarHBondContact O-N 3.48Å; G7-R10 WeakPolarHBondContact O-CB 3.39Å; G7-R10 PolarHBondContact O-N 3.15Å; G7-R10 VanDerWaalsContact O-N 3.13Å; T8-R10 VanDerWaalsContact C-N 3.35Å; R10-F12 VanDerWaalsContact C-N 3.28Å; R10-F12 PolarHBondContact O-N 3.41Å; R10-I13 PolarHBondContact O-N 3.16Å; R10-I13 VanDerWaalsContact O-N 3.17Å; R10-L14 HydrophobicContact CG-CD1 4.48Å; R10-L14 WeakPolarHBondContact O-CG 3.49Å; R10-L14 PolarHBondContact O-N 3.27Å |
| 11 | D | 87.1 | Confident | 81.8 | Confident | 100 Ų | 100 | 97 Ų | 97 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.1 | -37.5 | 179.3 | -64.4 | -20.6 | 0 | 0 | 0 | 111.3 | G7 T8 L14 T15 | G7-D11 VanDerWaalsContact O-CG 3.27Å; G7-D11 PolarHBondContact O-N 3Å; T8-D11 PolarHBondContact O-N 3.37Å; D11-L14 PolarHBondContact O-N 3.06Å; D11-T15 PolarHBondContact O-N 2.58Å; D11-T15 PolarHBondContact O-OG1 3.41Å |
| 12 | F | 88.7 | Confident | 83.3 | Confident | 23 Ų | 23 | 91 Ų | 91 | 10% | 0.101 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -64 | -45.8 | 172.7 | -179.2 | -90.8 | 0 | 0 | 0 | 112.1 | T8 L9 R10 L14 T15 A16 Q19 P22 A25 L26 V29 | T8-F12 WeakPolarHBondContact O-CB 3Å; T8-F12 PolarHBondContact O-N 3Å; L9-F12 PolarHBondContact O-N 3.44Å; R10-F12 VanDerWaalsContact C-N 3.28Å; R10-F12 PolarHBondContact O-N 3.41Å; F12-L14 VanDerWaalsContact C-N 3.25Å; F12-L14 PolarHBondContact O-N 3.42Å; F12-T15 CarbonylContact O-C 3.53Å; F12-T15 PolarHBondContact O-N 3.47Å; F12-T15 VanDerWaalsContact O-N 3.09Å; F12-T15 PolarHBondContact O-OG1 3.2Å; F12-A16 HydrophobicContact CE1-CB 4.22Å; F12-A16 WeakPolarHBondContact O-CB 3.26Å; F12-A16 PolarHBondContact O-N 2.94Å; F12-Q19 HydrophobicContact CE2-CG 4.44Å; F12-Q19 HydrophobicContact CZ-CG 4.48Å; F12-P22 WeakPolarHBondContact CZ-O 3.38Å; F12-A25 HydrophobicContact CE2-CB 3.65Å; F12-A25 HydrophobicContact CZ-CB 3.65Å; F12-L26 HydrophobicContact CD1-CB 4.21Å; F12-L26 HydrophobicContact CD1-CD1 3.64Å; F12-L26 HydrophobicContact CE1-CB 3.49Å; F12-L26 VanDerWaalsContact CE1-CB 3.49Å; F12-L26 HydrophobicContact CE1-CD1 3.82Å; F12-L26 HydrophobicContact CE1-CG 4.2Å; F12-L26 HydrophobicContact CG-CD1 4.49Å; F12-L26 HydrophobicContact CZ-CB 3.89Å; F12-V29 HydrophobicContact CD2-CG2 3.74Å; F12-V29 HydrophobicContact CE2-CG2 4.16Å; F12-V29 HydrophobicContact CG-CG2 4.38Å |
| 13 | I | 87.4 | Confident | 84.1 | Confident | 111 Ų | 111 | 95.3 Ų | 95.3 | 57% | 0.569 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.2 | -37.3 | 178.2 | -70.2 | 165.3 | 0 | 0 | 0 | 111.3 | L9 R10 T15 A16 | L9-I13 HydrophobicContact CD1-CD1 4.44Å; L9-I13 HydrophobicContact CG-CD1 4.06Å; L9-I13 VanDerWaalsContact O-CG1 3.25Å; L9-I13 WeakPolarHBondContact O-CG1 3.4Å; L9-I13 PolarHBondContact O-N 3.05Å; R10-I13 PolarHBondContact O-N 3.16Å; R10-I13 VanDerWaalsContact O-N 3.17Å; I13-T15 PolarHBondContact O-N 3.41Å; I13-A16 PolarHBondContact O-N 3.26Å |
| 14 | L | 88 | Confident | 85 | Confident | 123 Ų | 123 | 91.6 Ų | 91.6 | 64% | 0.644 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.1 | -19.7 | 177.7 | -69.1 | 173.5 | 0 | 0 | 0 | 114 | R10 D11 F12 | R10-L14 HydrophobicContact CG-CD1 4.48Å; R10-L14 WeakPolarHBondContact O-CG 3.49Å; R10-L14 PolarHBondContact O-N 3.27Å; D11-L14 PolarHBondContact O-N 3.06Å; F12-L14 VanDerWaalsContact C-N 3.25Å; F12-L14 PolarHBondContact O-N 3.42Å |
| 15 | T | 87.9 | Confident | 85.6 | Confident | 60 Ų | 60 | 85.2 Ų | 85.2 | 37% | 0.368 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -114.8 | 5.2 | -178.7 | 54.1 | 0 | 0 | 0 | 0 | 113 | D11 F12 I13 D17 Q18 | D11-T15 PolarHBondContact O-N 2.58Å; D11-T15 PolarHBondContact O-OG1 3.41Å; F12-T15 CarbonylContact O-C 3.53Å; F12-T15 PolarHBondContact O-N 3.47Å; F12-T15 VanDerWaalsContact O-N 3.09Å; F12-T15 PolarHBondContact O-OG1 3.2Å; I13-T15 PolarHBondContact O-N 3.41Å; T15-D17 VanDerWaalsContact C-N 3.28Å; T15-D17 PolarHBondContact O-N 3.42Å; T15-Q18 PolarHBondContact O-N 3.24Å |
| 16 | A | 84.5 | Confident | 86.4 | Confident | 24 Ų | 24 | 85.9 Ų | 85.9 | 20% | 0.198 | 46% | 0.463 | C | S | . | . | G | 310 helix | trans | -68.1 | -26.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F12 I13 Q18 Q19 P22 | F12-A16 HydrophobicContact CE1-CB 4.22Å; F12-A16 WeakPolarHBondContact O-CB 3.26Å; F12-A16 PolarHBondContact O-N 2.94Å; I13-A16 PolarHBondContact O-N 3.26Å; A16-Q18 PolarHBondContact O-N 2.98Å; A16-Q19 WeakPolarHBondContact O-CB 3.49Å; A16-Q19 PolarHBondContact O-N 2.83Å; A16-P22 HydrophobicContact CB-CB 4.47Å |
| 17 | D | 82.6 | Confident | 86.9 | Confident | 134 Ų | 134 | 87 Ų | 87 | 72% | 0.717 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -66.5 | -23.4 | 177.5 | 65.2 | -31.9 | 0 | 0 | 0 | 113.3 | T15 | T15-D17 VanDerWaalsContact C-N 3.28Å; T15-D17 PolarHBondContact O-N 3.42Å |
| 18 | Q | 86.6 | Confident | 87.1 | Confident | 150 Ų | 150 | 87.8 Ų | 87.8 | 70% | 0.701 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -86.1 | -8.1 | 177 | -61.8 | 176.8 | 9 | 0 | 0 | 113 | T15 A16 | T15-Q18 PolarHBondContact O-N 3.24Å; A16-Q18 PolarHBondContact O-N 2.98Å |
| 19 | Q | 85 | Confident | 87.3 | Confident | 83 Ų | 83 | 87.9 Ų | 87.9 | 39% | 0.388 | 47% | 0.468 | S | S | . | . | trans | -86.2 | 131.9 | -177.8 | -61.5 | -62.1 | -43.2 | 0 | 0 | 111.1 | F12 A16 A21 P22 A25 | F12-Q19 HydrophobicContact CE2-CG 4.44Å; F12-Q19 HydrophobicContact CZ-CG 4.48Å; A16-Q19 WeakPolarHBondContact O-CB 3.49Å; A16-Q19 PolarHBondContact O-N 2.83Å; Q19-A21 PolarHBondContact O-N 3.06Å; Q19-P22 HydrophobicContact CB-CB 4.34Å; Q19-A25 HydrophobicContact CG-CB 4.22Å | ||
| 20 | T | 86.5 | Confident | 87.4 | Confident | 153 Ų | 153 | 88 Ų | 88 | 94% | 0.939 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -63.4 | -29.8 | 174.9 | -46.9 | 0 | 0 | 0 | 0 | 112.5 | ||
| 21 | A | 88.9 | Confident | 87.4 | Confident | 47 Ų | 47 | 83.5 Ų | 83.5 | 39% | 0.388 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -139.3 | 78.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q19 F23 T24 A25 | Q19-A21 PolarHBondContact O-N 3.06Å; A21-F23 VanDerWaalsContact C-N 3.31Å; A21-F23 PolarHBondContact O-N 3.13Å; A21-T24 PolarHBondContact O-N 3.38Å; A21-T24 VanDerWaalsContact O-N 3.08Å; A21-A25 PolarHBondContact O-N 2.95Å |
| 22 | P | 86.5 | Confident | 87.3 | Confident | 64 Ų | 64 | 83.8 Ų | 83.8 | 42% | 0.416 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.8 | -37.5 | -168.4 | 22.1 | -33.4 | 0 | 0 | 0 | 113 | F12 A16 Q19 A25 L26 | F12-P22 WeakPolarHBondContact CZ-O 3.38Å; A16-P22 HydrophobicContact CB-CB 4.47Å; Q19-P22 HydrophobicContact CB-CB 4.34Å; P22-A25 PolarHBondContact O-N 3.1Å; P22-L26 VanDerWaalsContact O-CB 3.29Å; P22-L26 WeakPolarHBondContact O-CB 3.42Å; P22-L26 PolarHBondContact O-N 2.88Å |
| 23 | F | 86.7 | Confident | 87.1 | Confident | 157 Ų | 157 | 87.1 Ų | 87.1 | 69% | 0.689 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.6 | -39.1 | 177.3 | -176.8 | -99.8 | 0 | 0 | 0 | 112.7 | A21 L26 K27 | A21-F23 VanDerWaalsContact C-N 3.31Å; A21-F23 PolarHBondContact O-N 3.13Å; F23-L26 PolarHBondContact O-N 2.95Å; F23-K27 WeakPolarHBondContact O-CB 3.01Å; F23-K27 PolarHBondContact O-N 3.43Å |
| 24 | T | 90.6 | Very high | 86.8 | Confident | 93 Ų | 93 | 87.3 Ų | 87.3 | 57% | 0.571 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -67 | -44.3 | 177.7 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | A21 K27 A28 | A21-T24 PolarHBondContact O-N 3.38Å; A21-T24 VanDerWaalsContact O-N 3.08Å; T24-K27 PolarHBondContact O-N 2.98Å; T24-A28 PolarHBondContact O-N 3.11Å |
| 25 | A | 89.8 | Confident | 86.4 | Confident | 21 Ų | 21 | 87.6 Ų | 87.6 | 17% | 0.174 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64.3 | -41 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | F12 Q19 A21 P22 K27 A28 V29 | F12-A25 HydrophobicContact CE2-CB 3.65Å; F12-A25 HydrophobicContact CZ-CB 3.65Å; Q19-A25 HydrophobicContact CG-CB 4.22Å; A21-A25 PolarHBondContact O-N 2.95Å; P22-A25 PolarHBondContact O-N 3.1Å; A25-K27 VanDerWaalsContact C-N 3.35Å; A25-K27 PolarHBondContact O-N 3.22Å; A25-A28 WeakPolarHBondContact O-CB 3.37Å; A25-A28 PolarHBondContact O-N 3.03Å; A25-V29 WeakPolarHBondContact O-CG2 3.37Å; A25-V29 PolarHBondContact O-N 3.33Å |
| 26 | L | 89 | Confident | 86 | Confident | 52 Ų | 52 | 88.2 Ų | 88.2 | 27% | 0.272 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.1 | -46.8 | 173.7 | 179.1 | 61.1 | 0 | 0 | 0 | 111.4 | L9 F12 P22 F23 A28 V29 C30 | L9-L26 HydrophobicContact CD1-CD1 3.37Å; F12-L26 HydrophobicContact CD1-CB 4.21Å; F12-L26 HydrophobicContact CD1-CD1 3.64Å; F12-L26 HydrophobicContact CE1-CB 3.49Å; F12-L26 VanDerWaalsContact CE1-CB 3.49Å; F12-L26 HydrophobicContact CE1-CD1 3.82Å; F12-L26 HydrophobicContact CE1-CG 4.2Å; F12-L26 HydrophobicContact CG-CD1 4.49Å; F12-L26 HydrophobicContact CZ-CB 3.89Å; P22-L26 VanDerWaalsContact O-CB 3.29Å; P22-L26 WeakPolarHBondContact O-CB 3.42Å; P22-L26 PolarHBondContact O-N 2.88Å; F23-L26 PolarHBondContact O-N 2.95Å; L26-A28 VanDerWaalsContact C-N 3.29Å; L26-A28 PolarHBondContact O-N 3.3Å; L26-V29 PolarHBondContact O-N 3.49Å; L26-C30 WeakPolarHBondContact O-CB 3.36Å; L26-C30 PolarHBondContact O-N 3.1Å; L26-C30 PolarHBondContact O-SG 3.37Å; L26-C30 VanDerWaalsContact O-SG 3.4Å |
| 27 | K | 89.6 | Confident | 85.7 | Confident | 127 Ų | 127 | 90.3 Ų | 90.3 | 55% | 0.552 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.2 | -42.1 | 177.8 | -176.3 | 179.8 | 177.7 | 179 | 0 | 111.2 | F23 T24 A25 C30 L31 | F23-K27 WeakPolarHBondContact O-CB 3.01Å; F23-K27 PolarHBondContact O-N 3.43Å; T24-K27 PolarHBondContact O-N 2.98Å; A25-K27 VanDerWaalsContact C-N 3.35Å; A25-K27 PolarHBondContact O-N 3.22Å; K27-C30 PolarHBondContact O-N 2.83Å; K27-L31 HydrophobicContact CG-CD1 4.05Å; K27-L31 HydrophobicContact CG-CG 4.46Å; K27-L31 WeakPolarHBondContact O-CB 3.42Å; K27-L31 VanDerWaalsContact O-CG 3.24Å; K27-L31 WeakPolarHBondContact O-CG 3.36Å; K27-L31 PolarHBondContact O-N 2.83Å |
| 28 | A | 89.8 | Confident | 85.3 | Confident | 45 Ų | 45 | 91 Ų | 91 | 37% | 0.372 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T24 A25 L26 C30 L31 D32 | T24-A28 PolarHBondContact O-N 3.11Å; A25-A28 WeakPolarHBondContact O-CB 3.37Å; A25-A28 PolarHBondContact O-N 3.03Å; L26-A28 VanDerWaalsContact C-N 3.29Å; L26-A28 PolarHBondContact O-N 3.3Å; A28-C30 VanDerWaalsContact C-N 3.34Å; A28-C30 PolarHBondContact O-N 3.05Å; A28-L31 PolarHBondContact O-N 2.86Å; A28-L31 VanDerWaalsContact O-N 3.11Å; A28-D32 PolarHBondContact O-N 2.91Å |
| 29 | V | 87.4 | Confident | 84.7 | Confident | 35 Ų | 35 | 85.3 Ų | 85.3 | 21% | 0.212 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -58.4 | -44.7 | 176.9 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | T8 F12 A25 L26 L31 D32 R33 | T8-V29 HydrophobicContact CG2-CG1 3.91Å; F12-V29 HydrophobicContact CD2-CG2 3.74Å; F12-V29 HydrophobicContact CE2-CG2 4.16Å; F12-V29 HydrophobicContact CG-CG2 4.38Å; A25-V29 WeakPolarHBondContact O-CG2 3.37Å; A25-V29 PolarHBondContact O-N 3.33Å; L26-V29 PolarHBondContact O-N 3.49Å; V29-L31 VanDerWaalsContact C-N 3.34Å; V29-L31 PolarHBondContact O-N 3.25Å; V29-D32 PolarHBondContact O-N 3.47Å; V29-R33 WeakPolarHBondContact O-CB 3.28Å; V29-R33 WeakPolarHBondContact O-CG 3.47Å; V29-R33 PolarHBondContact O-N 3.33Å |
| 30 | C | 86.8 | Confident | 84.3 | Confident | 67 Ų | 67 | 86 Ų | 86 | 45% | 0.453 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.1 | -73.6 | 0 | 0 | 0 | 0 | 112.4 | L26 K27 A28 L34 | L26-C30 WeakPolarHBondContact O-CB 3.36Å; L26-C30 PolarHBondContact O-N 3.1Å; L26-C30 PolarHBondContact O-SG 3.37Å; L26-C30 VanDerWaalsContact O-SG 3.4Å; K27-C30 PolarHBondContact O-N 2.83Å; A28-C30 VanDerWaalsContact C-N 3.34Å; A28-C30 PolarHBondContact O-N 3.05Å; C30-L34 WeakPolarHBondContact O-CB 3.35Å; C30-L34 PolarHBondContact O-N 3.13Å |
| 31 | L | 87.2 | Confident | 83.7 | Confident | 85 Ų | 85 | 83.6 Ų | 83.6 | 45% | 0.445 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.4 | -46.9 | 178.2 | -75.1 | 171.4 | 0 | 0 | 0 | 111.6 | K27 A28 V29 R33 L34 M35 | K27-L31 HydrophobicContact CG-CD1 4.05Å; K27-L31 HydrophobicContact CG-CG 4.46Å; K27-L31 WeakPolarHBondContact O-CB 3.42Å; K27-L31 VanDerWaalsContact O-CG 3.24Å; K27-L31 WeakPolarHBondContact O-CG 3.36Å; K27-L31 PolarHBondContact O-N 2.83Å; A28-L31 PolarHBondContact O-N 2.86Å; A28-L31 VanDerWaalsContact O-N 3.11Å; V29-L31 VanDerWaalsContact C-N 3.34Å; V29-L31 PolarHBondContact O-N 3.25Å; L31-R33 VanDerWaalsContact C-N 3.27Å; L31-R33 PolarHBondContact O-N 2.96Å; L31-L34 PolarHBondContact O-N 2.97Å; L31-M35 WeakPolarHBondContact O-CB 3.39Å; L31-M35 VanDerWaalsContact O-CG 3.29Å; L31-M35 WeakPolarHBondContact O-CG 3.5Å; L31-M35 PolarHBondContact O-N 3.04Å |
| 32 | D | 85 | Confident | 83 | Confident | 105 Ų | 105 | 82.6 Ų | 82.6 | 56% | 0.561 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -59 | -42.1 | 177.8 | -72.8 | -21.2 | 0 | 0 | 0 | 110.8 | A28 V29 M35 D36 | A28-D32 PolarHBondContact O-N 2.91Å; V29-D32 PolarHBondContact O-N 3.47Å; D32-M35 PolarHBondContact O-N 3.4Å; D32-D36 PolarHBondContact O-N 3.43Å |
| 33 | R | 83.2 | Confident | 82.4 | Confident | 94 Ų | 94 | 85.7 Ų | 85.7 | 36% | 0.355 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.5 | -41.6 | 175.7 | -74.3 | -65 | -179.7 | -162.2 | -0.8 | 113.2 | T8 V29 L31 M35 D36 D37 | T8-R33 VanDerWaalsContact OG1-CZ 3.31Å; T8-R33 PolarHBondContact OG1-NE 2.85Å; T8-R33 PolarHBondContact OG1-NH2 2.97Å; V29-R33 WeakPolarHBondContact O-CB 3.28Å; V29-R33 WeakPolarHBondContact O-CG 3.47Å; V29-R33 PolarHBondContact O-N 3.33Å; L31-R33 VanDerWaalsContact C-N 3.27Å; L31-R33 PolarHBondContact O-N 2.96Å; R33-M35 VanDerWaalsContact C-N 3.26Å; R33-M35 PolarHBondContact O-N 3.2Å; R33-D36 IonicContact NH1-OD2 3.8Å; R33-D36 PolarHBondContact O-N 3.42Å; R33-D37 WeakPolarHBondContact O-CB 3.43Å; R33-D37 PolarHBondContact O-N 2.85Å |
| 34 | L | 81.8 | Confident | 81.9 | Confident | 114 Ų | 114 | 82.9 Ų | 82.9 | 60% | 0.597 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62.7 | -37.6 | 174.5 | -176.6 | 66.1 | 0 | 0 | 0 | 111.2 | C30 L31 R38 | C30-L34 WeakPolarHBondContact O-CB 3.35Å; C30-L34 PolarHBondContact O-N 3.13Å; L31-L34 PolarHBondContact O-N 2.97Å; L34-R38 VanDerWaalsContact O-CB 3.27Å; L34-R38 WeakPolarHBondContact O-CB 3.46Å; L34-R38 PolarHBondContact O-N 3.32Å |
| 35 | M | 79.8 | Confident | 81.2 | Confident | 130 Ų | 130 | 80 Ų | 80 | 64% | 0.64 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67.3 | -43 | 176.1 | -72.7 | -179.5 | 65.3 | 0 | 0 | 111.9 | L31 D32 R33 R38 A39 | L31-M35 WeakPolarHBondContact O-CB 3.39Å; L31-M35 VanDerWaalsContact O-CG 3.29Å; L31-M35 WeakPolarHBondContact O-CG 3.5Å; L31-M35 PolarHBondContact O-N 3.04Å; D32-M35 PolarHBondContact O-N 3.4Å; R33-M35 VanDerWaalsContact C-N 3.26Å; R33-M35 PolarHBondContact O-N 3.2Å; M35-R38 PolarHBondContact O-N 3.37Å; M35-A39 WeakPolarHBondContact O-CB 3.43Å; M35-A39 PolarHBondContact O-N 3.39Å |
| 36 | D | 78.3 | Confident | 80.4 | Confident | 73 Ų | 73 | 79.6 Ų | 79.6 | 39% | 0.39 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.2 | -41.7 | 178.3 | -170.2 | 33.1 | 0 | 0 | 0 | 112.3 | D32 R33 R38 A39 H40 R43 | D32-D36 PolarHBondContact O-N 3.43Å; R33-D36 IonicContact NH1-OD2 3.8Å; R33-D36 PolarHBondContact O-N 3.42Å; D36-R38 VanDerWaalsContact C-N 3.34Å; D36-R38 PolarHBondContact O-N 2.96Å; D36-A39 CarbonylContact O-C 3.58Å; D36-A39 PolarHBondContact O-N 2.74Å; D36-H40 WeakPolarHBondContact O-CB 3.37Å; D36-H40 PolarHBondContact O-N 2.84Å; D36-R43 IonicContact OD1-NH2 3.28Å; D36-R43 PolarHBondContact OD1-NH2 3.02Å |
| 37 | D | 77.7 | Confident | 79.7 | Confident | 68 Ų | 68 | 81.2 Ų | 81.2 | 36% | 0.364 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 173.1 | -176.7 | 24.8 | 0 | 0 | 0 | 110.7 | R33 A39 H40 Q41 | R33-D37 WeakPolarHBondContact O-CB 3.43Å; R33-D37 PolarHBondContact O-N 2.85Å; D37-A39 PolarHBondContact O-N 3.25Å; D37-H40 PolarHBondContact O-N 3.44Å; D37-Q41 WeakPolarHBondContact O-CB 3.48Å; D37-Q41 VanDerWaalsContact O-CG 3.29Å; D37-Q41 WeakPolarHBondContact O-CG 3.38Å; D37-Q41 PolarHBondContact O-N 3.2Å; D37-Q41 PolarHBondContact OD1-NE2 2.74Å; D37-Q41 PolarHBondContact OD2-NE2 2.98Å; D37-Q41 VanDerWaalsContact OD2-NE2 3.09Å |
| 38 | R | 75.1 | Confident | 79.2 | Confident | 147 Ų | 147 | 80.4 Ų | 80.4 | 56% | 0.555 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -60.4 | -45.2 | 173.9 | -171.2 | -179.6 | -178.7 | 176.4 | 2 | 111.6 | L34 M35 D36 H40 Q41 I42 | L34-R38 VanDerWaalsContact O-CB 3.27Å; L34-R38 WeakPolarHBondContact O-CB 3.46Å; L34-R38 PolarHBondContact O-N 3.32Å; M35-R38 PolarHBondContact O-N 3.37Å; D36-R38 VanDerWaalsContact C-N 3.34Å; D36-R38 PolarHBondContact O-N 2.96Å; R38-H40 VanDerWaalsContact C-N 3.32Å; R38-H40 PolarHBondContact O-N 2.95Å; R38-Q41 PolarHBondContact O-N 2.71Å; R38-I42 HydrophobicContact CG-CD1 3.89Å; R38-I42 VanDerWaalsContact O-CD1 3.29Å; R38-I42 WeakPolarHBondContact O-CD1 3.41Å; R38-I42 WeakPolarHBondContact O-CG1 3.37Å; R38-I42 PolarHBondContact O-N 3.31Å |
| 39 | A | 74.7 | Confident | 78.6 | Confident | 31 Ų | 31 | 79.4 Ų | 79.4 | 26% | 0.256 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | M35 D36 D37 I42 R43 | M35-A39 WeakPolarHBondContact O-CB 3.43Å; M35-A39 PolarHBondContact O-N 3.39Å; D36-A39 CarbonylContact O-C 3.58Å; D36-A39 PolarHBondContact O-N 2.74Å; D37-A39 PolarHBondContact O-N 3.25Å; A39-I42 PolarHBondContact O-N 3.41Å; A39-R43 WeakPolarHBondContact O-CB 3.38Å; A39-R43 VanDerWaalsContact O-CG 3.26Å; A39-R43 WeakPolarHBondContact O-CG 3.32Å; A39-R43 PolarHBondContact O-N 3.36Å |
| 40 | H | 76.2 | Confident | 78.1 | Confident | 98 Ų | 98 | 83.9 Ų | 83.9 | 45% | 0.454 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 174.5 | -174 | -74 | 0 | 0 | 0 | 111.4 | D36 D37 R38 I42 R43 Q44 | D36-H40 WeakPolarHBondContact O-CB 3.37Å; D36-H40 PolarHBondContact O-N 2.84Å; D37-H40 PolarHBondContact O-N 3.44Å; R38-H40 VanDerWaalsContact C-N 3.32Å; R38-H40 PolarHBondContact O-N 2.95Å; H40-I42 VanDerWaalsContact C-N 3.31Å; H40-I42 PolarHBondContact O-N 3.39Å; H40-R43 WeakPolarHBondContact O-CB 3.1Å; H40-R43 PolarHBondContact O-N 2.97Å; H40-Q44 WeakPolarHBondContact O-CB 3.39Å; H40-Q44 PolarHBondContact O-N 3.09Å |
| 41 | Q | 74.2 | Confident | 77.7 | Confident | 102 Ų | 102 | 81.8 Ų | 81.8 | 48% | 0.477 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.6 | -41.4 | 176.6 | -72.2 | 172 | 35.1 | 0 | 0 | 111.9 | D37 R38 Q44 A45 | D37-Q41 WeakPolarHBondContact O-CB 3.48Å; D37-Q41 VanDerWaalsContact O-CG 3.29Å; D37-Q41 WeakPolarHBondContact O-CG 3.38Å; D37-Q41 PolarHBondContact O-N 3.2Å; D37-Q41 PolarHBondContact OD1-NE2 2.74Å; D37-Q41 PolarHBondContact OD2-NE2 2.98Å; D37-Q41 VanDerWaalsContact OD2-NE2 3.09Å; R38-Q41 PolarHBondContact O-N 2.71Å; Q41-Q44 PolarHBondContact O-N 3.28Å; Q41-A45 VanDerWaalsContact O-CB 3.25Å; Q41-A45 WeakPolarHBondContact O-CB 3.5Å; Q41-A45 PolarHBondContact O-N 3.4Å |
| 42 | I | 73.8 | Confident | 76.9 | Confident | 27 Ų | 27 | 81.2 Ų | 81.2 | 14% | 0.138 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -63.5 | -49.3 | 174.5 | -67 | 156.4 | 0 | 0 | 0 | 110.2 | R38 A39 H40 Q44 A45 I46 M67 P68 | R38-I42 HydrophobicContact CG-CD1 3.89Å; R38-I42 VanDerWaalsContact O-CD1 3.29Å; R38-I42 WeakPolarHBondContact O-CD1 3.41Å; R38-I42 WeakPolarHBondContact O-CG1 3.37Å; R38-I42 PolarHBondContact O-N 3.31Å; A39-I42 PolarHBondContact O-N 3.41Å; H40-I42 VanDerWaalsContact C-N 3.31Å; H40-I42 PolarHBondContact O-N 3.39Å; I42-Q44 VanDerWaalsContact C-N 3.29Å; I42-Q44 PolarHBondContact O-N 3.1Å; I42-A45 PolarHBondContact O-N 3.44Å; I42-I46 HydrophobicContact CG2-CD1 3.48Å; I42-I46 VanDerWaalsContact CG2-CD1 3.48Å; I42-I46 HydrophobicContact CG2-CG1 4.27Å; I42-I46 VanDerWaalsContact O-CB 3.27Å; I42-I46 WeakPolarHBondContact O-CB 3.43Å; I42-I46 WeakPolarHBondContact O-CG1 3.42Å; I42-I46 PolarHBondContact O-N 3.26Å; I42-M67 HydrophobicContact CG2-SD 3.9Å; I42-P68 HydrophobicContact CD1-CB 4.11Å; I42-P68 HydrophobicContact CD1-CG 3.59Å |
| 43 | R | 74.5 | Confident | 76.4 | Confident | 128 Ų | 128 | 80.1 Ų | 80.1 | 48% | 0.483 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -56.6 | -44.3 | 177.2 | -77.1 | -177.4 | -65.6 | -114.5 | 2.7 | 111.4 | D36 A39 H40 T47 | D36-R43 IonicContact OD1-NH2 3.28Å; D36-R43 PolarHBondContact OD1-NH2 3.02Å; A39-R43 WeakPolarHBondContact O-CB 3.38Å; A39-R43 VanDerWaalsContact O-CG 3.26Å; A39-R43 WeakPolarHBondContact O-CG 3.32Å; A39-R43 PolarHBondContact O-N 3.36Å; H40-R43 WeakPolarHBondContact O-CB 3.1Å; H40-R43 PolarHBondContact O-N 2.97Å; R43-T47 WeakPolarHBondContact O-CB 3.25Å; R43-T47 PolarHBondContact O-N 3.4Å; R43-T47 PolarHBondContact O-OG1 3.21Å |
| 44 | Q | 76.4 | Confident | 76.4 | Confident | 98 Ų | 98 | 79.4 Ų | 79.4 | 46% | 0.458 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.3 | -52.9 | 178.7 | -175.9 | 175.9 | 7.3 | 0 | 0 | 110.9 | H40 Q41 I42 I46 T47 D48 | H40-Q44 WeakPolarHBondContact O-CB 3.39Å; H40-Q44 PolarHBondContact O-N 3.09Å; Q41-Q44 PolarHBondContact O-N 3.28Å; I42-Q44 VanDerWaalsContact C-N 3.29Å; I42-Q44 PolarHBondContact O-N 3.1Å; Q44-I46 PolarHBondContact O-N 3.21Å; Q44-T47 PolarHBondContact O-N 3.38Å; Q44-D48 WeakPolarHBondContact CG-OD2 3.46Å; Q44-D48 WeakPolarHBondContact O-CB 3.36Å; Q44-D48 VanDerWaalsContact O-CG 3.3Å; Q44-D48 PolarHBondContact O-N 3.1Å |
| 45 | A | 74.7 | Confident | 76.8 | Confident | 33 Ų | 33 | 77 Ų | 77 | 27% | 0.273 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -56.3 | -38.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q41 I42 E49 L66 | Q41-A45 VanDerWaalsContact O-CB 3.25Å; Q41-A45 WeakPolarHBondContact O-CB 3.5Å; Q41-A45 PolarHBondContact O-N 3.4Å; I42-A45 PolarHBondContact O-N 3.44Å; A45-E49 WeakPolarHBondContact O-CB 3.47Å; A45-E49 PolarHBondContact O-N 2.96Å; A45-L66 HydrophobicContact CB-CD1 4.08Å; A45-L66 HydrophobicContact CB-CD2 3.92Å |
| 46 | I | 72.8 | Confident | 77.2 | Confident | 13 Ų | 13 | 70.8 Ų | 70.8 | 7% | 0.067 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -72.8 | -35.8 | 176.9 | -70.4 | 174.3 | 0 | 0 | 0 | 112.2 | I42 Q44 L63 L66 M67 L82 | I42-I46 HydrophobicContact CG2-CD1 3.48Å; I42-I46 VanDerWaalsContact CG2-CD1 3.48Å; I42-I46 HydrophobicContact CG2-CG1 4.27Å; I42-I46 VanDerWaalsContact O-CB 3.27Å; I42-I46 WeakPolarHBondContact O-CB 3.43Å; I42-I46 WeakPolarHBondContact O-CG1 3.42Å; I42-I46 PolarHBondContact O-N 3.26Å; Q44-I46 PolarHBondContact O-N 3.21Å; I46-L63 HydrophobicContact CG2-CD2 4.37Å; I46-L66 HydrophobicContact CG1-CB 4.14Å; I46-L66 HydrophobicContact CG1-CD1 4.08Å; I46-M67 HydrophobicContact CD1-CG 4.22Å; I46-M67 HydrophobicContact CD1-SD 3.4Å; I46-M67 WeakPolarHBondContact CD1-SD 3.29Å; I46-L82 HydrophobicContact CG2-CD1 3.27Å; I46-L82 HydrophobicContact CG2-CD2 3.26Å; I46-L82 HydrophobicContact CG2-CG 3.83Å |
| 47 | T | 75.7 | Confident | 77.9 | Confident | 86 Ų | 86 | 68.3 Ų | 68.3 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.1 | -37.8 | 178.4 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | R43 Q44 E49 R86 | R43-T47 WeakPolarHBondContact O-CB 3.25Å; R43-T47 PolarHBondContact O-N 3.4Å; R43-T47 PolarHBondContact O-OG1 3.21Å; Q44-T47 PolarHBondContact O-N 3.38Å; T47-E49 VanDerWaalsContact C-N 3.33Å; T47-R86 PolarHBondContact O-NH2 2.84Å |
| 48 | D | 77.5 | Confident | 78.5 | Confident | 109 Ų | 109 | 67.7 Ų | 67.7 | 58% | 0.583 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -78.7 | -16.9 | 179.7 | -63.5 | -19.3 | 0 | 0 | 0 | 112.5 | Q44 E50 | Q44-D48 WeakPolarHBondContact CG-OD2 3.46Å; Q44-D48 WeakPolarHBondContact O-CB 3.36Å; Q44-D48 VanDerWaalsContact O-CG 3.3Å; Q44-D48 PolarHBondContact O-N 3.1Å; D48-E50 PolarHBondContact O-N 3.26Å |
| 49 | E | 77.4 | Confident | 79.3 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 12% | 0.117 | 34% | 0.343 | C | S | . | . | trans | -77.8 | 109.7 | -179.1 | -156.1 | 81.4 | -140.2 | 0 | 0 | 110.8 | A45 T47 R54 F59 R62 L66 | A45-E49 WeakPolarHBondContact O-CB 3.47Å; A45-E49 PolarHBondContact O-N 2.96Å; T47-E49 VanDerWaalsContact C-N 3.33Å; E49-R54 IonicContact OE1-CZ 3.25Å; E49-R54 VanDerWaalsContact OE1-CZ 3.25Å; E49-R54 IonicContact OE1-NH1 2.83Å; E49-R54 PolarHBondContact OE1-NH1 3.17Å; E49-R54 IonicContact OE1-NH2 2.71Å; E49-R54 PolarHBondContact OE1-NH2 3.22Å; E49-F59 HydrophobicContact CB-CE2 4.2Å; E49-F59 HydrophobicContact CG-CD2 4.18Å; E49-F59 HydrophobicContact CG-CE2 3.81Å; E49-R62 HydrophobicContact CG-CG 3.93Å; E49-R62 WeakPolarHBondContact OE1-CG 3.34Å; E49-R62 IonicContact OE1-NE 3.66Å; E49-R62 WeakPolarHBondContact OE2-CG 3.38Å; E49-R62 IonicContact OE2-CZ 3.8Å; E49-R62 IonicContact OE2-NE 2.96Å; E49-R62 PolarHBondContact OE2-NE 2.99Å; E49-R62 IonicContact OE2-NH2 3.71Å; E49-L66 HydrophobicContact CB-CD1 4.41Å; E49-L66 HydrophobicContact CG-CD1 4.44Å | ||
| 50 | E | 76.8 | Confident | 80.1 | Confident | 128 Ų | 128 | 59.5 Ų | 59.5 | 60% | 0.598 | 33% | 0.332 | S | S | * | . | trans | -100.8 | 154.1 | 176.3 | -64.8 | -174.7 | 164.7 | 0 | 0 | 112.2 | D48 A52 R54 | D48-E50 PolarHBondContact O-N 3.26Å; E50-A52 HydrophobicContact CB-CB 4.13Å; E50-A52 PolarHBondContact O-N 3.23Å; E50-R54 PolarHBondContact O-NH2 3.35Å | ||
| 51 | L | 78.3 | Confident | 80.7 | Confident | 23 Ų | 23 | 61.4 Ų | 61.4 | 12% | 0.12 | 34% | 0.335 | C | S | . | . | trans | -60.5 | -33.8 | 174 | -172.2 | 63.9 | 0 | 0 | 0 | 111.2 | G53 R54 P56 F59 L87 L114 | L51-G53 VanDerWaalsContact C-N 3.31Å; L51-G53 PolarHBondContact O-N 3.03Å; L51-R54 WeakPolarHBondContact CD1-O 3.45Å; L51-R54 WeakPolarHBondContact O-CB 3.38Å; L51-R54 PolarHBondContact O-N 3.38Å; L51-P56 HydrophobicContact CD1-CG 4.21Å; L51-F59 HydrophobicContact CD1-CB 3.64Å; L51-F59 HydrophobicContact CD1-CD1 4.01Å; L51-F59 HydrophobicContact CD1-CG 3.87Å; L51-L87 HydrophobicContact CD2-CD2 4.08Å; L51-L114 HydrophobicContact CD2-CD1 4.31Å | ||
| 52 | A | 71.6 | Confident | 81.3 | Confident | 73 Ų | 73 | 61.2 Ų | 61.2 | 60% | 0.603 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 35.6 | 51.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | E50 R54 | E50-A52 HydrophobicContact CB-CB 4.13Å; E50-A52 PolarHBondContact O-N 3.23Å; A52-R54 PolarHBondContact O-N 2.76Å; A52-R54 VanDerWaalsContact O-N 3.11Å |
| 53 | G | 75 | Confident | 81.9 | Confident | 83 Ų | 83 | 60 Ų | 60 | 86% | 0.856 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.2 | 1.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L51 | L51-G53 VanDerWaalsContact C-N 3.31Å; L51-G53 PolarHBondContact O-N 3.03Å |
| 54 | R | 82.5 | Confident | 82.4 | Confident | 79 Ų | 79 | 58.5 Ų | 58.5 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -80.2 | 147.9 | 173.4 | -63.5 | 179.2 | -71 | -177.3 | -1.8 | 109.8 | E49 E50 L51 A52 | E49-R54 IonicContact OE1-CZ 3.25Å; E49-R54 VanDerWaalsContact OE1-CZ 3.25Å; E49-R54 IonicContact OE1-NH1 2.83Å; E49-R54 PolarHBondContact OE1-NH1 3.17Å; E49-R54 IonicContact OE1-NH2 2.71Å; E49-R54 PolarHBondContact OE1-NH2 3.22Å; E50-R54 PolarHBondContact O-NH2 3.35Å; L51-R54 WeakPolarHBondContact CD1-O 3.45Å; L51-R54 WeakPolarHBondContact O-CB 3.38Å; L51-R54 PolarHBondContact O-N 3.38Å; A52-R54 PolarHBondContact O-N 2.76Å; A52-R54 VanDerWaalsContact O-N 3.11Å |
| 55 | P | 89.5 | Confident | 82.8 | Confident | 62 Ų | 62 | 60.7 Ų | 60.7 | 40% | 0.403 | 33% | 0.332 | S | S | . | . | trans | -62 | 135 | 172.9 | 24.2 | -31.7 | 0 | 0 | 0 | 109.9 | S57 V58 F59 D111 | P55-S57 PolarHBondContact O-N 3.05Å; P55-V58 HydrophobicContact CG-CB 3.97Å; P55-V58 HydrophobicContact CG-CG2 3.64Å; P55-V58 WeakPolarHBondContact O-CB 3.43Å; P55-V58 PolarHBondContact O-N 3.17Å; P55-F59 PolarHBondContact O-N 3.1Å; P55-F59 VanDerWaalsContact O-N 3.13Å; P55-D111 VanDerWaalsContact C-OD1 3.31Å; P55-D111 WeakPolarHBondContact CB-OD1 3.47Å | ||
| 56 | P | 89.8 | Confident | 83.1 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -42 | -38.3 | 174 | -33.2 | 33.5 | 0 | 0 | 0 | 115.3 | L51 V58 F59 L60 F83 L87 A110 D111 L114 | L51-P56 HydrophobicContact CD1-CG 4.21Å; P56-V58 VanDerWaalsContact C-N 3.31Å; P56-V58 PolarHBondContact O-N 3.34Å; P56-F59 PolarHBondContact O-N 2.86Å; P56-L60 WeakPolarHBondContact O-CB 3.37Å; P56-L60 PolarHBondContact O-N 3.07Å; P56-F83 HydrophobicContact CB-CE2 3.9Å; P56-F83 HydrophobicContact CB-CZ 3.81Å; P56-F83 WeakPolarHBondContact O-CE2 3.25Å; P56-L87 HydrophobicContact CB-CD2 3.99Å; P56-L87 HydrophobicContact CG-CD2 3.85Å; P56-A110 HydrophobicContact CB-CB 3.57Å; P56-A110 HydrophobicContact CG-CB 3.65Å; P56-D111 WeakPolarHBondContact CA-OD1 3.5Å; P56-D111 WeakPolarHBondContact CB-OD1 3.33Å; P56-D111 WeakPolarHBondContact CD-OD1 3.39Å; P56-L114 HydrophobicContact CG-CD1 3.46Å; P56-L114 VanDerWaalsContact CG-CD1 3.46Å |
| 57 | S | 92.3 | Very high | 83.4 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.4 | -26.7 | 177.5 | 68.7 | 0 | 0 | 0 | 0 | 114.9 | P55 R61 D111 | P55-S57 PolarHBondContact O-N 3.05Å; S57-R61 PolarHBondContact O-N 3.21Å; S57-R61 PolarHBondContact O-NE 2.79Å; S57-D111 WeakPolarHBondContact CB-OD2 3.47Å; S57-D111 PolarHBondContact N-OD1 3.2Å; S57-D111 PolarHBondContact OG-OD2 3.06Å |
| 58 | V | 91 | Very high | 83.2 | Confident | 55 Ų | 55 | 58.9 Ų | 58.9 | 33% | 0.333 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -80 | -42.2 | 173.5 | 172.2 | 0 | 0 | 0 | 0 | 109.7 | P55 P56 L60 R61 R62 | P55-V58 HydrophobicContact CG-CB 3.97Å; P55-V58 HydrophobicContact CG-CG2 3.64Å; P55-V58 WeakPolarHBondContact O-CB 3.43Å; P55-V58 PolarHBondContact O-N 3.17Å; P56-V58 VanDerWaalsContact C-N 3.31Å; P56-V58 PolarHBondContact O-N 3.34Å; V58-L60 VanDerWaalsContact C-N 3.32Å; V58-L60 PolarHBondContact O-N 2.91Å; V58-R61 PolarHBondContact O-N 3.35Å; V58-R62 PolarHBondContact O-N 2.89Å |
| 59 | F | 91 | Very high | 82.7 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.5 | -44.9 | 173.9 | 174.2 | -114.2 | 0 | 0 | 0 | 111.7 | E49 L51 P55 P56 R61 R62 L63 F83 R86 | E49-F59 HydrophobicContact CB-CE2 4.2Å; E49-F59 HydrophobicContact CG-CD2 4.18Å; E49-F59 HydrophobicContact CG-CE2 3.81Å; L51-F59 HydrophobicContact CD1-CB 3.64Å; L51-F59 HydrophobicContact CD1-CD1 4.01Å; L51-F59 HydrophobicContact CD1-CG 3.87Å; P55-F59 PolarHBondContact O-N 3.1Å; P55-F59 VanDerWaalsContact O-N 3.13Å; P56-F59 PolarHBondContact O-N 2.86Å; F59-R61 PolarHBondContact O-N 2.85Å; F59-R62 WeakPolarHBondContact O-CB 3.21Å; F59-R62 PolarHBondContact O-N 3.3Å; F59-R62 VanDerWaalsContact O-N 3.13Å; F59-L63 HydrophobicContact CD1-CD1 4.28Å; F59-L63 HydrophobicContact CE1-CD1 3.62Å; F59-L63 HydrophobicContact CE1-CG 4.16Å; F59-L63 HydrophobicContact CE2-CD1 4.38Å; F59-L63 HydrophobicContact CE2-CD2 3.95Å; F59-L63 HydrophobicContact CE2-CG 4.07Å; F59-L63 HydrophobicContact CZ-CD1 3.66Å; F59-L63 HydrophobicContact CZ-CD2 3.83Å; F59-L63 HydrophobicContact CZ-CG 3.84Å; F59-L63 PolarHBondContact O-N 3.09Å; F59-F83 AromaticContact CD1-CD2 3.76Å; F59-F83 HydrophobicContact CD1-CD2 3.76Å; F59-F83 HydrophobicContact CD1-CE2 4.1Å; F59-F83 HydrophobicContact CE1-CD2 4.07Å; F59-R86 HydrophobicContact CE1-CB 3.75Å; F59-R86 HydrophobicContact CE1-CG 4.14Å; F59-R86 HydrophobicContact CZ-CB 3.87Å; F59-R86 HydrophobicContact CZ-CG 3.81Å |
| 60 | L | 90.5 | Very high | 82.1 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.3 | -47.1 | 175 | 176.3 | 61.9 | 0 | 0 | 0 | 112.5 | P56 V58 R62 L63 Q64 I79 F83 L103 A107 | P56-L60 WeakPolarHBondContact O-CB 3.37Å; P56-L60 PolarHBondContact O-N 3.07Å; V58-L60 VanDerWaalsContact C-N 3.32Å; V58-L60 PolarHBondContact O-N 2.91Å; L60-R62 PolarHBondContact O-N 2.91Å; L60-L63 PolarHBondContact O-N 3.19Å; L60-Q64 HydrophobicContact CD1-CG 4.43Å; L60-Q64 WeakPolarHBondContact O-CG 3.1Å; L60-Q64 PolarHBondContact O-N 3.44Å; L60-I79 HydrophobicContact CD1-CG2 3.65Å; L60-F83 HydrophobicContact CB-CD2 3.96Å; L60-F83 HydrophobicContact CB-CE2 3.96Å; L60-F83 HydrophobicContact CD1-CD2 4.21Å; L60-F83 HydrophobicContact CD1-CG 4.37Å; L60-L103 HydrophobicContact CD1-CD2 3.36Å; L60-L103 HydrophobicContact CD1-CG 3.55Å; L60-L103 HydrophobicContact CD2-CB 4.35Å; L60-L103 HydrophobicContact CD2-CG 3.85Å; L60-L103 WeakPolarHBondContact CD2-O 3.49Å; L60-L103 HydrophobicContact CG-CG 4.36Å; L60-A107 HydrophobicContact CB-CB 4.16Å; L60-A107 HydrophobicContact CD2-CB 3.7Å |
| 61 | R | 89 | Confident | 81.1 | Confident | 138 Ų | 138 | 61.4 Ų | 61.4 | 52% | 0.521 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.5 | -37.6 | 177.3 | -83.9 | 179.1 | -89 | 168.8 | -9.8 | 111.4 | S57 V58 F59 Q64 Q65 | S57-R61 PolarHBondContact O-N 3.21Å; S57-R61 PolarHBondContact O-NE 2.79Å; V58-R61 PolarHBondContact O-N 3.35Å; F59-R61 PolarHBondContact O-N 2.85Å; R61-Q64 PolarHBondContact O-N 2.9Å; R61-Q65 VanDerWaalsContact O-CG 3.28Å; R61-Q65 WeakPolarHBondContact O-CG 3.38Å; R61-Q65 PolarHBondContact O-N 2.99Å |
| 62 | R | 87 | Confident | 80.3 | Confident | 98 Ų | 98 | 64.5 Ų | 64.5 | 37% | 0.37 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 176 | -179.4 | 55.6 | 174.9 | -172.2 | 1.8 | 111.8 | E49 V58 F59 L60 Q64 Q65 L66 | E49-R62 HydrophobicContact CG-CG 3.93Å; E49-R62 WeakPolarHBondContact OE1-CG 3.34Å; E49-R62 IonicContact OE1-NE 3.66Å; E49-R62 WeakPolarHBondContact OE2-CG 3.38Å; E49-R62 IonicContact OE2-CZ 3.8Å; E49-R62 IonicContact OE2-NE 2.96Å; E49-R62 PolarHBondContact OE2-NE 2.99Å; E49-R62 IonicContact OE2-NH2 3.71Å; V58-R62 PolarHBondContact O-N 2.89Å; F59-R62 WeakPolarHBondContact O-CB 3.21Å; F59-R62 PolarHBondContact O-N 3.3Å; F59-R62 VanDerWaalsContact O-N 3.13Å; L60-R62 PolarHBondContact O-N 2.91Å; R62-Q64 VanDerWaalsContact C-N 3.29Å; R62-Q64 PolarHBondContact O-N 3.45Å; R62-Q65 WeakPolarHBondContact O-CB 3.45Å; R62-Q65 PolarHBondContact O-N 3.13Å; R62-Q65 VanDerWaalsContact O-N 3.1Å; R62-L66 WeakPolarHBondContact O-CG 3.29Å; R62-L66 PolarHBondContact O-N 3.47Å |
| 63 | L | 86.6 | Confident | 79.8 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.1 | -43.3 | 173.8 | -66.7 | -177.1 | 0 | 0 | 0 | 111.9 | I46 F59 L60 Q65 L66 M67 I79 L82 F83 | I46-L63 HydrophobicContact CG2-CD2 4.37Å; F59-L63 HydrophobicContact CD1-CD1 4.28Å; F59-L63 HydrophobicContact CE1-CD1 3.62Å; F59-L63 HydrophobicContact CE1-CG 4.16Å; F59-L63 HydrophobicContact CE2-CD1 4.38Å; F59-L63 HydrophobicContact CE2-CD2 3.95Å; F59-L63 HydrophobicContact CE2-CG 4.07Å; F59-L63 HydrophobicContact CZ-CD1 3.66Å; F59-L63 HydrophobicContact CZ-CD2 3.83Å; F59-L63 HydrophobicContact CZ-CG 3.84Å; F59-L63 PolarHBondContact O-N 3.09Å; L60-L63 PolarHBondContact O-N 3.19Å; L63-Q65 VanDerWaalsContact C-N 3.3Å; L63-Q65 PolarHBondContact O-N 3.44Å; L63-L66 PolarHBondContact O-N 3.08Å; L63-M67 WeakPolarHBondContact O-CG 3.32Å; L63-M67 PolarHBondContact O-N 3.24Å; L63-I79 HydrophobicContact CB-CG2 3.94Å; L63-I79 HydrophobicContact CD1-CG2 4.21Å; L63-L82 HydrophobicContact CD1-CD2 3.85Å; L63-L82 HydrophobicContact CD2-CD2 3.56Å; L63-L82 HydrophobicContact CG-CD2 4.36Å; L63-F83 HydrophobicContact CD1-CB 4.14Å |
| 64 | Q | 86.3 | Confident | 79.5 | Confident | 96 Ų | 96 | 67.2 Ų | 67.2 | 45% | 0.449 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 176.9 | -71 | 173.1 | -25.9 | 0 | 0 | 112.8 | L60 R61 R62 I79 | L60-Q64 HydrophobicContact CD1-CG 4.43Å; L60-Q64 WeakPolarHBondContact O-CG 3.1Å; L60-Q64 PolarHBondContact O-N 3.44Å; R61-Q64 PolarHBondContact O-N 2.9Å; R62-Q64 VanDerWaalsContact C-N 3.29Å; R62-Q64 PolarHBondContact O-N 3.45Å; Q64-I79 HydrophobicContact CG-CD1 4.17Å; Q64-I79 HydrophobicContact CG-CG2 4.44Å |
| 65 | Q | 83.6 | Confident | 79.3 | Confident | 144 Ų | 144 | 65.3 Ų | 65.3 | 67% | 0.673 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -73.4 | -30.7 | 176.7 | -73.5 | 171.3 | -10 | 0 | 0 | 113.3 | R61 R62 L63 M67 | R61-Q65 VanDerWaalsContact O-CG 3.28Å; R61-Q65 WeakPolarHBondContact O-CG 3.38Å; R61-Q65 PolarHBondContact O-N 2.99Å; R62-Q65 WeakPolarHBondContact O-CB 3.45Å; R62-Q65 PolarHBondContact O-N 3.13Å; R62-Q65 VanDerWaalsContact O-N 3.1Å; L63-Q65 VanDerWaalsContact C-N 3.3Å; L63-Q65 PolarHBondContact O-N 3.44Å; Q65-M67 VanDerWaalsContact C-N 3.3Å |
| 66 | L | 81.8 | Confident | 79 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 17% | 0.173 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.8 | -25.2 | 176.4 | -68 | 177.5 | 0 | 0 | 0 | 112.1 | A45 I46 E49 R62 L63 | A45-L66 HydrophobicContact CB-CD1 4.08Å; A45-L66 HydrophobicContact CB-CD2 3.92Å; I46-L66 HydrophobicContact CG1-CB 4.14Å; I46-L66 HydrophobicContact CG1-CD1 4.08Å; E49-L66 HydrophobicContact CB-CD1 4.41Å; E49-L66 HydrophobicContact CG-CD1 4.44Å; R62-L66 WeakPolarHBondContact O-CG 3.29Å; R62-L66 PolarHBondContact O-N 3.47Å; L63-L66 PolarHBondContact O-N 3.08Å |
| 67 | M | 78.4 | Confident | 78.7 | Confident | 24 Ų | 24 | 69.7 Ų | 69.7 | 12% | 0.118 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -77.5 | 135.6 | -179.1 | -69.6 | -68.4 | -87.9 | 0 | 0 | 111.2 | I42 I46 L63 Q65 N75 V78 I79 | I42-M67 HydrophobicContact CG2-SD 3.9Å; I46-M67 HydrophobicContact CD1-CG 4.22Å; I46-M67 HydrophobicContact CD1-SD 3.4Å; I46-M67 WeakPolarHBondContact CD1-SD 3.29Å; L63-M67 WeakPolarHBondContact O-CG 3.32Å; L63-M67 PolarHBondContact O-N 3.24Å; Q65-M67 VanDerWaalsContact C-N 3.3Å; M67-N75 HydrophobicContact CE-CB 3.7Å; M67-V78 HydrophobicContact CE-CB 4.18Å; M67-V78 HydrophobicContact CE-CG1 4.11Å; M67-I79 HydrophobicContact CB-CD1 4.22Å; M67-I79 HydrophobicContact CE-CG1 4.25Å; M67-I79 HydrophobicContact CG-CD1 3.78Å; M67-I79 HydrophobicContact CG-CG1 3.69Å |
| 68 | P | 70.5 | Confident | 78.2 | Confident | 37 Ų | 37 | 71.8 Ų | 71.8 | 24% | 0.24 | 40% | 0.399 | C | S | . | . | trans | -65.8 | 141.8 | 179.7 | 27.2 | -31.5 | 0 | 0 | 0 | 109.5 | I42 G70 N75 | I42-P68 HydrophobicContact CD1-CB 4.11Å; I42-P68 HydrophobicContact CD1-CG 3.59Å; P68-G70 PolarHBondContact O-N 2.85Å; P68-N75 PolarHBondContact O-ND2 2.77Å | ||
| 69 | T | 68.1 | Low | 78.1 | Confident | 157 Ų | 157 | 70 Ų | 70 | 96% | 0.963 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -65 | 85 | 173.8 | -38.7 | 0 | 0 | 0 | 0 | 109.1 | ||
| 70 | G | 65 | Low | 78 | Confident | 36 Ų | 36 | 72.6 Ų | 72.6 | 37% | 0.371 | 40% | 0.397 | S | S | . | . | trans | -135.9 | 178.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | P68 S72 | P68-G70 PolarHBondContact O-N 2.85Å; G70-S72 PolarHBondContact O-N 2.99Å | ||
| 71 | P | 56 | Low | 77.8 | Confident | 123 Ų | 123 | 79.3 Ų | 79.3 | 80% | 0.799 | 43% | 0.429 | S | S | * | . | trans | -51.6 | 117.7 | -174.6 | 21.2 | -32.2 | 0 | 0 | 0 | 110.8 | Q73 | P71-Q73 VanDerWaalsContact C-N 3.29Å; P71-Q73 PolarHBondContact O-N 2.92Å; P71-Q73 VanDerWaalsContact O-N 3.15Å | ||
| 72 | S | 60.5 | Low | 77.7 | Confident | 88 Ų | 88 | 74.5 Ų | 74.5 | 62% | 0.615 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.8 | -25.5 | -157.6 | 44.3 | 0 | 0 | 0 | 0 | 115.4 | G70 E76 | G70-S72 PolarHBondContact O-N 2.99Å; S72-E76 PolarHBondContact O-N 3.41Å; S72-E76 VanDerWaalsContact O-N 3.12Å |
| 73 | Q | 62.4 | Low | 77.8 | Confident | 169 Ų | 169 | 69.8 Ų | 69.8 | 79% | 0.79 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -70.3 | -45 | -170.1 | -68 | -176.6 | 11.9 | 0 | 0 | 113.4 | P71 N75 E76 S77 | P71-Q73 VanDerWaalsContact C-N 3.29Å; P71-Q73 PolarHBondContact O-N 2.92Å; P71-Q73 VanDerWaalsContact O-N 3.15Å; Q73-N75 VanDerWaalsContact C-N 3.34Å; Q73-E76 PolarHBondContact O-N 2.95Å; Q73-S77 PolarHBondContact O-N 3.42Å |
| 74 | G | 68.6 | Low | 77.9 | Confident | 44 Ų | 44 | 71.3 Ų | 71.3 | 45% | 0.454 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -69.8 | -33.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S77 V78 | G74-S77 PolarHBondContact O-OG 3.37Å; G74-S77 VanDerWaalsContact O-OG 3.1Å; G74-V78 WeakPolarHBondContact O-CG2 3.4Å; G74-V78 PolarHBondContact O-N 3.34Å |
| 75 | N | 78.1 | Confident | 78 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 21% | 0.209 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -69.5 | -38.2 | 177.6 | -69.1 | -6 | 0 | 0 | 0 | 111.3 | M67 P68 Q73 V78 I79 | M67-N75 HydrophobicContact CE-CB 3.7Å; P68-N75 PolarHBondContact O-ND2 2.77Å; Q73-N75 VanDerWaalsContact C-N 3.34Å; N75-V78 PolarHBondContact O-N 2.83Å; N75-I79 HydrophobicContact CB-CD1 4.47Å; N75-I79 WeakPolarHBondContact O-CB 3.4Å; N75-I79 WeakPolarHBondContact O-CD1 3.2Å; N75-I79 WeakPolarHBondContact O-CG1 3.27Å; N75-I79 PolarHBondContact O-N 2.78Å |
| 76 | E | 82.9 | Confident | 78.2 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 42% | 0.416 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.6 | -41.8 | -177.8 | -165.5 | -171.1 | 142.3 | 0 | 0 | 112.8 | S72 Q73 I79 R80 | S72-E76 PolarHBondContact O-N 3.41Å; S72-E76 VanDerWaalsContact O-N 3.12Å; Q73-E76 PolarHBondContact O-N 2.95Å; E76-I79 PolarHBondContact O-N 3.46Å; E76-R80 VanDerWaalsContact O-CB 3.29Å; E76-R80 WeakPolarHBondContact O-CB 3.48Å; E76-R80 PolarHBondContact O-N 3.5Å; E76-R80 IonicContact OE1-CZ 2.99Å; E76-R80 IonicContact OE1-NH1 3.24Å; E76-R80 PolarHBondContact OE1-NH1 3.01Å; E76-R80 IonicContact OE1-NH2 3.26Å; E76-R80 PolarHBondContact OE1-NH2 3.31Å |
| 77 | S | 82.9 | Confident | 78.6 | Confident | 65 Ų | 65 | 66.4 Ų | 66.4 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 178.4 | 62.2 | 0 | 0 | 0 | 0 | 111.8 | Q73 G74 R80 Q81 | Q73-S77 PolarHBondContact O-N 3.42Å; G74-S77 PolarHBondContact O-OG 3.37Å; G74-S77 VanDerWaalsContact O-OG 3.1Å; S77-R80 PolarHBondContact O-N 3.1Å; S77-Q81 WeakPolarHBondContact O-CB 3.26Å; S77-Q81 PolarHBondContact O-N 3.39Å |
| 78 | V | 82.9 | Confident | 79.1 | Confident | 65 Ų | 65 | 67.3 Ų | 67.3 | 39% | 0.394 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 175.6 | 175 | 0 | 0 | 0 | 0 | 110.7 | M67 G74 N75 R80 Q81 L82 | M67-V78 HydrophobicContact CE-CB 4.18Å; M67-V78 HydrophobicContact CE-CG1 4.11Å; G74-V78 WeakPolarHBondContact O-CG2 3.4Å; G74-V78 PolarHBondContact O-N 3.34Å; N75-V78 PolarHBondContact O-N 2.83Å; V78-R80 VanDerWaalsContact C-N 3.32Å; V78-R80 PolarHBondContact O-N 3.38Å; V78-Q81 PolarHBondContact O-N 3.46Å; V78-L82 VanDerWaalsContact O-CB 3.26Å; V78-L82 WeakPolarHBondContact O-CB 3.17Å; V78-L82 PolarHBondContact O-N 3.42Å |
| 79 | I | 87.3 | Confident | 80 | Confident | 17 Ų | 17 | 72.3 Ų | 72.3 | 9% | 0.087 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 177.6 | -63 | 160.8 | 0 | 0 | 0 | 110.3 | L60 L63 Q64 M67 N75 E76 L82 F83 L103 | L60-I79 HydrophobicContact CD1-CG2 3.65Å; L63-I79 HydrophobicContact CB-CG2 3.94Å; L63-I79 HydrophobicContact CD1-CG2 4.21Å; Q64-I79 HydrophobicContact CG-CD1 4.17Å; Q64-I79 HydrophobicContact CG-CG2 4.44Å; M67-I79 HydrophobicContact CB-CD1 4.22Å; M67-I79 HydrophobicContact CE-CG1 4.25Å; M67-I79 HydrophobicContact CG-CD1 3.78Å; M67-I79 HydrophobicContact CG-CG1 3.69Å; N75-I79 HydrophobicContact CB-CD1 4.47Å; N75-I79 WeakPolarHBondContact O-CB 3.4Å; N75-I79 WeakPolarHBondContact O-CD1 3.2Å; N75-I79 WeakPolarHBondContact O-CG1 3.27Å; N75-I79 PolarHBondContact O-N 2.78Å; E76-I79 PolarHBondContact O-N 3.46Å; I79-L82 PolarHBondContact O-N 3.1Å; I79-F83 WeakPolarHBondContact O-CB 3.4Å; I79-F83 PolarHBondContact O-N 2.98Å; I79-L103 HydrophobicContact CB-CD2 4.3Å; I79-L103 HydrophobicContact CG2-CD2 3.69Å |
| 80 | R | 89 | Confident | 81 | Confident | 55 Ų | 55 | 70.5 Ų | 70.5 | 21% | 0.208 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.8 | -52.9 | 178.3 | 176.7 | -179 | -85.6 | 101.5 | -2.5 | 111.1 | E76 S77 V78 L82 F83 L84 K101 L103 | E76-R80 VanDerWaalsContact O-CB 3.29Å; E76-R80 WeakPolarHBondContact O-CB 3.48Å; E76-R80 PolarHBondContact O-N 3.5Å; E76-R80 IonicContact OE1-CZ 2.99Å; E76-R80 IonicContact OE1-NH1 3.24Å; E76-R80 PolarHBondContact OE1-NH1 3.01Å; E76-R80 IonicContact OE1-NH2 3.26Å; E76-R80 PolarHBondContact OE1-NH2 3.31Å; S77-R80 PolarHBondContact O-N 3.1Å; V78-R80 VanDerWaalsContact C-N 3.32Å; V78-R80 PolarHBondContact O-N 3.38Å; R80-L82 VanDerWaalsContact C-N 3.28Å; R80-L82 PolarHBondContact O-N 2.99Å; R80-F83 PolarHBondContact O-N 2.93Å; R80-L84 HydrophobicContact CG-CD1 4.18Å; R80-L84 WeakPolarHBondContact O-CG 3.15Å; R80-L84 PolarHBondContact O-N 3.44Å; R80-K101 PolarHBondContact NH2-O 3.26Å; R80-L103 HydrophobicContact CB-CD1 4.26Å; R80-L103 HydrophobicContact CB-CD2 4.06Å; R80-L103 HydrophobicContact CG-CD1 4.19Å |
| 81 | Q | 87 | Confident | 82.3 | Confident | 147 Ų | 147 | 69.1 Ų | 69.1 | 69% | 0.687 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -58.7 | -43.9 | -179.9 | -174.8 | -179.7 | 12.2 | 0 | 0 | 111.2 | S77 V78 L84 S85 | S77-Q81 WeakPolarHBondContact O-CB 3.26Å; S77-Q81 PolarHBondContact O-N 3.39Å; V78-Q81 PolarHBondContact O-N 3.46Å; Q81-L84 PolarHBondContact O-N 3.19Å; Q81-S85 WeakPolarHBondContact O-CB 3.27Å; Q81-S85 PolarHBondContact O-N 3.48Å; Q81-S85 PolarHBondContact O-OG 3.34Å |
| 82 | L | 86.6 | Confident | 84 | Confident | 36 Ų | 36 | 66.5 Ų | 66.5 | 19% | 0.188 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -73.3 | -35.1 | -178 | -156.5 | 123.4 | 0 | 0 | 0 | 112.7 | I46 L63 V78 I79 R80 S85 R86 | I46-L82 HydrophobicContact CG2-CD1 3.27Å; I46-L82 HydrophobicContact CG2-CD2 3.26Å; I46-L82 HydrophobicContact CG2-CG 3.83Å; L63-L82 HydrophobicContact CD1-CD2 3.85Å; L63-L82 HydrophobicContact CD2-CD2 3.56Å; L63-L82 HydrophobicContact CG-CD2 4.36Å; V78-L82 VanDerWaalsContact O-CB 3.26Å; V78-L82 WeakPolarHBondContact O-CB 3.17Å; V78-L82 PolarHBondContact O-N 3.42Å; I79-L82 PolarHBondContact O-N 3.1Å; R80-L82 VanDerWaalsContact C-N 3.28Å; R80-L82 PolarHBondContact O-N 2.99Å; L82-S85 PolarHBondContact O-OG 2.69Å; L82-S85 VanDerWaalsContact O-OG 3.1Å; L82-R86 WeakPolarHBondContact O-CG 3.33Å; L82-R86 PolarHBondContact O-N 3.09Å |
| 83 | F | 90 | Very high | 85.5 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.8 | -51.6 | 172.4 | 175.3 | -102.3 | 0 | 0 | 0 | 110.6 | P56 F59 L60 L63 I79 R80 R86 L87 L103 A107 A110 | P56-F83 HydrophobicContact CB-CE2 3.9Å; P56-F83 HydrophobicContact CB-CZ 3.81Å; P56-F83 WeakPolarHBondContact O-CE2 3.25Å; F59-F83 AromaticContact CD1-CD2 3.76Å; F59-F83 HydrophobicContact CD1-CD2 3.76Å; F59-F83 HydrophobicContact CD1-CE2 4.1Å; F59-F83 HydrophobicContact CE1-CD2 4.07Å; L60-F83 HydrophobicContact CB-CD2 3.96Å; L60-F83 HydrophobicContact CB-CE2 3.96Å; L60-F83 HydrophobicContact CD1-CD2 4.21Å; L60-F83 HydrophobicContact CD1-CG 4.37Å; L63-F83 HydrophobicContact CD1-CB 4.14Å; I79-F83 WeakPolarHBondContact O-CB 3.4Å; I79-F83 PolarHBondContact O-N 2.98Å; R80-F83 PolarHBondContact O-N 2.93Å; F83-R86 PolarHBondContact O-N 2.87Å; F83-L87 HydrophobicContact CD1-CD1 4.33Å; F83-L87 HydrophobicContact CE1-CD1 3.74Å; F83-L87 HydrophobicContact CE1-CG 4.44Å; F83-L87 HydrophobicContact CE2-CD2 4.31Å; F83-L87 HydrophobicContact CZ-CD1 3.99Å; F83-L87 HydrophobicContact CZ-CD2 4.11Å; F83-L87 HydrophobicContact CZ-CG 4.4Å; F83-L87 WeakPolarHBondContact O-CG 3.5Å; F83-L103 HydrophobicContact CB-CD1 4.2Å; F83-L103 HydrophobicContact CD1-CD1 3.49Å; F83-L103 VanDerWaalsContact CD1-CD1 3.49Å; F83-L103 HydrophobicContact CD1-CG 4.46Å; F83-L103 HydrophobicContact CE1-CD1 4.15Å; F83-L103 HydrophobicContact CG-CD1 4.01Å; F83-A107 HydrophobicContact CE1-CB 4.28Å; F83-A107 HydrophobicContact CE2-CB 4.03Å; F83-A107 HydrophobicContact CZ-CB 3.58Å; F83-A110 HydrophobicContact CZ-CB 4.4Å |
| 84 | L | 89.3 | Confident | 86.9 | Confident | 33 Ų | 33 | 59.9 Ų | 59.9 | 17% | 0.173 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.5 | -42.4 | -178.9 | -67.3 | 175.1 | 0 | 0 | 0 | 112.2 | R80 Q81 R86 L87 Q92 | R80-L84 HydrophobicContact CG-CD1 4.18Å; R80-L84 WeakPolarHBondContact O-CG 3.15Å; R80-L84 PolarHBondContact O-N 3.44Å; Q81-L84 PolarHBondContact O-N 3.19Å; L84-R86 PolarHBondContact O-N 2.91Å; L84-L87 HydrophobicContact CD2-CD1 4.37Å; L84-L87 PolarHBondContact O-N 2.8Å; L84-Q92 VanDerWaalsContact O-CD 3.23Å; L84-Q92 WeakPolarHBondContact O-CG 3.29Å; L84-Q92 PolarHBondContact O-NE2 3.37Å |
| 85 | S | 87.6 | Confident | 88.1 | Confident | 74 Ų | 74 | 58 Ų | 58 | 52% | 0.517 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.5 | -23.8 | -178.5 | 71.6 | 0 | 0 | 0 | 0 | 113.8 | Q81 L82 | Q81-S85 WeakPolarHBondContact O-CB 3.27Å; Q81-S85 PolarHBondContact O-N 3.48Å; Q81-S85 PolarHBondContact O-OG 3.34Å; L82-S85 PolarHBondContact O-OG 2.69Å; L82-S85 VanDerWaalsContact O-OG 3.1Å |
| 86 | R | 88.3 | Confident | 88.7 | Confident | 90 Ų | 90 | 61.6 Ų | 61.6 | 34% | 0.34 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -90 | -10.7 | 178.8 | -63.9 | -65.9 | -167.3 | -163.8 | 5.3 | 114.1 | T47 F59 L82 F83 L84 | T47-R86 PolarHBondContact O-NH2 2.84Å; F59-R86 HydrophobicContact CE1-CB 3.75Å; F59-R86 HydrophobicContact CE1-CG 4.14Å; F59-R86 HydrophobicContact CZ-CB 3.87Å; F59-R86 HydrophobicContact CZ-CG 3.81Å; L82-R86 WeakPolarHBondContact O-CG 3.33Å; L82-R86 PolarHBondContact O-N 3.09Å; F83-R86 PolarHBondContact O-N 2.87Å; L84-R86 PolarHBondContact O-N 2.91Å |
| 87 | L | 89.5 | Confident | 89.1 | Confident | 6 Ų | 6 | 62.5 Ų | 62.5 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -75.8 | 150.1 | 175.3 | -64 | -179.7 | 0 | 0 | 0 | 110.8 | L51 P56 F83 L84 V91 Q92 L95 A110 | L51-L87 HydrophobicContact CD2-CD2 4.08Å; P56-L87 HydrophobicContact CB-CD2 3.99Å; P56-L87 HydrophobicContact CG-CD2 3.85Å; F83-L87 HydrophobicContact CD1-CD1 4.33Å; F83-L87 HydrophobicContact CE1-CD1 3.74Å; F83-L87 HydrophobicContact CE1-CG 4.44Å; F83-L87 HydrophobicContact CE2-CD2 4.31Å; F83-L87 HydrophobicContact CZ-CD1 3.99Å; F83-L87 HydrophobicContact CZ-CD2 4.11Å; F83-L87 HydrophobicContact CZ-CG 4.4Å; F83-L87 WeakPolarHBondContact O-CG 3.5Å; L84-L87 HydrophobicContact CD2-CD1 4.37Å; L84-L87 PolarHBondContact O-N 2.8Å; L87-V91 HydrophobicContact CB-CB 4.43Å; L87-V91 HydrophobicContact CB-CG1 4.5Å; L87-V91 HydrophobicContact CD1-CG1 4.05Å; L87-Q92 HydrophobicContact CB-CG 3.94Å; L87-Q92 PolarHBondContact O-NE2 3.05Å; L87-L95 HydrophobicContact CD1-CD1 3.63Å; L87-A110 HydrophobicContact CD1-CB 4.17Å; L87-A110 HydrophobicContact CD2-CB 4.43Å |
| 88 | P | 89.1 | Confident | 89.5 | Confident | 44 Ų | 44 | 63.3 Ų | 63.3 | 29% | 0.286 | 33% | 0.332 | S | S | . | . | trans | -57.7 | 141.8 | 170 | -24.1 | 34.8 | 0 | 0 | 0 | 111.4 | Q90 V91 Q92 L114 | P88-Q90 PolarHBondContact O-N 3.15Å; P88-Q90 VanDerWaalsContact O-N 3.07Å; P88-V91 HydrophobicContact CB-CG2 4.33Å; P88-V91 HydrophobicContact CG-CG2 4.43Å; P88-V91 WeakPolarHBondContact O-CA 3.34Å; P88-V91 WeakPolarHBondContact O-CB 3.36Å; P88-V91 PolarHBondContact O-N 3.48Å; P88-Q92 PolarHBondContact O-N 3.48Å; P88-Q92 VanDerWaalsContact O-N 3.1Å; P88-L114 HydrophobicContact CG-CD2 4.23Å | ||
| 89 | H | 89.8 | Confident | 89.6 | Confident | 141 Ų | 141 | 64.9 Ų | 64.9 | 65% | 0.653 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -50.3 | -40.3 | -176.3 | 179.6 | 62.8 | 0 | 0 | 0 | 113.5 | V91 Q92 T93 | H89-V91 VanDerWaalsContact C-N 3.3Å; H89-V91 PolarHBondContact O-N 3.43Å; H89-Q92 WeakPolarHBondContact O-CB 3.33Å; H89-Q92 PolarHBondContact O-N 3.1Å; H89-T93 PolarHBondContact O-N 3.17Å; H89-T93 PolarHBondContact O-OG1 3.12Å; H89-T93 VanDerWaalsContact O-OG1 3.09Å |
| 90 | Q | 89.1 | Confident | 89.6 | Confident | 120 Ų | 120 | 72.7 Ų | 72.7 | 56% | 0.561 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59 | -39.5 | 177.3 | -64.8 | 168.6 | -8.1 | 0 | 0 | 112.8 | P88 A94 R117 | P88-Q90 PolarHBondContact O-N 3.15Å; P88-Q90 VanDerWaalsContact O-N 3.07Å; Q90-A94 PolarHBondContact O-N 3Å; Q90-R117 VanDerWaalsContact OE1-CZ 3.26Å |
| 91 | V | 91.9 | Very high | 89.7 | Confident | 7 Ų | 7 | 73.3 Ų | 73.3 | 4% | 0.042 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -72.3 | -41 | 177.3 | -177.9 | 0 | 0 | 0 | 0 | 110 | L87 P88 H89 T93 A94 L95 A110 L113 L114 | L87-V91 HydrophobicContact CB-CB 4.43Å; L87-V91 HydrophobicContact CB-CG1 4.5Å; L87-V91 HydrophobicContact CD1-CG1 4.05Å; P88-V91 HydrophobicContact CB-CG2 4.33Å; P88-V91 HydrophobicContact CG-CG2 4.43Å; P88-V91 WeakPolarHBondContact O-CA 3.34Å; P88-V91 WeakPolarHBondContact O-CB 3.36Å; P88-V91 PolarHBondContact O-N 3.48Å; H89-V91 VanDerWaalsContact C-N 3.3Å; H89-V91 PolarHBondContact O-N 3.43Å; V91-T93 VanDerWaalsContact C-N 3.35Å; V91-T93 PolarHBondContact O-N 2.96Å; V91-A94 PolarHBondContact O-N 3.46Å; V91-L95 HydrophobicContact CG1-CD1 3.86Å; V91-L95 HydrophobicContact CG1-CG 4.29Å; V91-L95 WeakPolarHBondContact O-CB 3.49Å; V91-L95 VanDerWaalsContact O-CG 3.25Å; V91-L95 WeakPolarHBondContact O-CG 3.39Å; V91-L95 PolarHBondContact O-N 2.87Å; V91-A110 HydrophobicContact CG1-CB 3.9Å; V91-L113 HydrophobicContact CG1-CB 4.43Å; V91-L113 HydrophobicContact CG1-CD1 4.03Å; V91-L114 HydrophobicContact CG2-CD2 3.62Å; V91-L114 HydrophobicContact CG2-CG 4.06Å |
| 92 | Q | 91.6 | Very high | 89.9 | Confident | 68 Ų | 68 | 70 Ų | 70 | 32% | 0.318 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.1 | -48.2 | 175.6 | -61.7 | -179.8 | 25.3 | 0 | 0 | 111.3 | L84 L87 P88 H89 A94 L95 L96 | L84-Q92 VanDerWaalsContact O-CD 3.23Å; L84-Q92 WeakPolarHBondContact O-CG 3.29Å; L84-Q92 PolarHBondContact O-NE2 3.37Å; L87-Q92 HydrophobicContact CB-CG 3.94Å; L87-Q92 PolarHBondContact O-NE2 3.05Å; P88-Q92 PolarHBondContact O-N 3.48Å; P88-Q92 VanDerWaalsContact O-N 3.1Å; H89-Q92 WeakPolarHBondContact O-CB 3.33Å; H89-Q92 PolarHBondContact O-N 3.1Å; Q92-A94 VanDerWaalsContact C-N 3.33Å; Q92-A94 PolarHBondContact O-N 3.46Å; Q92-L95 PolarHBondContact O-N 3.34Å; Q92-L95 VanDerWaalsContact O-N 3.1Å; Q92-L96 PolarHBondContact O-N 3.29Å; Q92-L96 VanDerWaalsContact O-N 3.1Å |
| 93 | T | 92.5 | Very high | 90.1 | Very high | 76 Ų | 76 | 68.7 Ų | 68.7 | 47% | 0.466 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 178.9 | -54.5 | 0 | 0 | 0 | 0 | 112.2 | H89 V91 L95 L96 | H89-T93 PolarHBondContact O-N 3.17Å; H89-T93 PolarHBondContact O-OG1 3.12Å; H89-T93 VanDerWaalsContact O-OG1 3.09Å; V91-T93 VanDerWaalsContact C-N 3.35Å; V91-T93 PolarHBondContact O-N 2.96Å; T93-L95 VanDerWaalsContact C-N 3.26Å; T93-L95 PolarHBondContact O-N 2.85Å; T93-L96 WeakPolarHBondContact O-CB 3.36Å; T93-L96 PolarHBondContact O-N 3.45Å |
| 94 | A | 92 | Very high | 90.2 | Very high | 41 Ų | 41 | 71.4 Ų | 71.4 | 34% | 0.339 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -68.8 | -24.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q90 V91 Q92 L113 | Q90-A94 PolarHBondContact O-N 3Å; V91-A94 PolarHBondContact O-N 3.46Å; Q92-A94 VanDerWaalsContact C-N 3.33Å; Q92-A94 PolarHBondContact O-N 3.46Å; A94-L113 HydrophobicContact CB-CD1 3.64Å; A94-L113 HydrophobicContact CB-CD2 4.15Å |
| 95 | L | 92.4 | Very high | 90.4 | Very high | 5 Ų | 5 | 73.2 Ų | 73.2 | 3% | 0.026 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -89.1 | -12.5 | 177.8 | -67.8 | 175.2 | 0 | 0 | 0 | 113.8 | L87 V91 Q92 T93 P97 F98 E99 L106 L109 A110 L113 | L87-L95 HydrophobicContact CD1-CD1 3.63Å; V91-L95 HydrophobicContact CG1-CD1 3.86Å; V91-L95 HydrophobicContact CG1-CG 4.29Å; V91-L95 WeakPolarHBondContact O-CB 3.49Å; V91-L95 VanDerWaalsContact O-CG 3.25Å; V91-L95 WeakPolarHBondContact O-CG 3.39Å; V91-L95 PolarHBondContact O-N 2.87Å; Q92-L95 PolarHBondContact O-N 3.34Å; Q92-L95 VanDerWaalsContact O-N 3.1Å; T93-L95 VanDerWaalsContact C-N 3.26Å; T93-L95 PolarHBondContact O-N 2.85Å; L95-P97 VanDerWaalsContact C-CD 3.43Å; L95-F98 CarbonylContact O-C 3.57Å; L95-F98 WeakPolarHBondContact O-CA 3.36Å; L95-F98 WeakPolarHBondContact O-CB 3.26Å; L95-F98 PolarHBondContact O-N 3.43Å; L95-E99 PolarHBondContact O-N 3.24Å; L95-L106 HydrophobicContact CB-CD2 4.22Å; L95-L106 HydrophobicContact CD2-CD2 4Å; L95-L106 HydrophobicContact CG-CD2 4.49Å; L95-L109 HydrophobicContact CD2-CB 3.6Å; L95-L109 HydrophobicContact CD2-CD1 4.3Å; L95-A110 HydrophobicContact CD1-CB 4.02Å; L95-L113 HydrophobicContact CD2-CD1 4.04Å; L95-L113 HydrophobicContact CG-CD1 4.18Å |
| 96 | L | 90.9 | Very high | 90.7 | Very high | 115 Ų | 115 | 69.8 Ų | 69.8 | 60% | 0.602 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -51.7 | -42.2 | -177.1 | -174.4 | 67.5 | 0 | 0 | 0 | 114 | Q92 T93 F98 E99 | Q92-L96 PolarHBondContact O-N 3.29Å; Q92-L96 VanDerWaalsContact O-N 3.1Å; T93-L96 WeakPolarHBondContact O-CB 3.36Å; T93-L96 PolarHBondContact O-N 3.45Å; L96-F98 PolarHBondContact O-N 2.84Å; L96-F98 VanDerWaalsContact O-N 3.08Å; L96-E99 PolarHBondContact O-N 3.18Å |
| 97 | P | 91.7 | Very high | 90.9 | Very high | 108 Ų | 108 | 65.5 Ų | 65.5 | 70% | 0.701 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -67.1 | -9.8 | 176.8 | -20.5 | 34.8 | 0 | 0 | 0 | 114.6 | L95 | L95-P97 VanDerWaalsContact C-CD 3.43Š|
| 98 | F | 91.1 | Very high | 91.1 | Very high | 82 Ų | 82 | 73.2 Ų | 73.2 | 36% | 0.36 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -113.8 | 8.4 | -172.1 | -61.6 | -62.4 | 0 | 0 | 0 | 112.8 | L95 L96 E100 K101 L106 L109 | L95-F98 CarbonylContact O-C 3.57Å; L95-F98 WeakPolarHBondContact O-CA 3.36Å; L95-F98 WeakPolarHBondContact O-CB 3.26Å; L95-F98 PolarHBondContact O-N 3.43Å; L96-F98 PolarHBondContact O-N 2.84Å; L96-F98 VanDerWaalsContact O-N 3.08Å; F98-E100 PolarHBondContact O-N 2.76Å; F98-E100 VanDerWaalsContact O-N 3.13Å; F98-K101 HydrophobicContact CB-CD 3.95Å; F98-K101 HydrophobicContact CD1-CD 3.76Å; F98-K101 HydrophobicContact CG-CD 4.23Å; F98-K101 WeakPolarHBondContact O-CB 3.36Å; F98-K101 PolarHBondContact O-N 3.43Å; F98-L106 HydrophobicContact CB-CD2 3.77Å; F98-L106 WeakPolarHBondContact O-CD2 3.41Å; F98-L109 HydrophobicContact CB-CD1 4.32Å; F98-L109 HydrophobicContact CD1-CD1 4.43Å; F98-L109 HydrophobicContact CD2-CD1 4.1Å; F98-L109 HydrophobicContact CG-CD1 4.02Å |
| 99 | E | 85.2 | Confident | 91.4 | Very high | 97 Ų | 97 | 73.1 Ų | 73.1 | 45% | 0.453 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -34.4 | -171.2 | -171.8 | 170.6 | -173.8 | 0 | 0 | 114.1 | L95 L96 K101 | L95-E99 PolarHBondContact O-N 3.24Å; L96-E99 PolarHBondContact O-N 3.18Å; E99-K101 PolarHBondContact O-N 2.89Å |
| 100 | E | 86.6 | Confident | 91.5 | Very high | 182 Ų | 182 | 66.4 Ų | 66.4 | 85% | 0.85 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -9.8 | 178.1 | -61.7 | -59 | 148.3 | 0 | 0 | 114 | F98 | F98-E100 PolarHBondContact O-N 2.76Å; F98-E100 VanDerWaalsContact O-N 3.13Å |
| 101 | K | 90.8 | Very high | 91.7 | Very high | 67 Ų | 67 | 62.4 Ų | 62.4 | 29% | 0.291 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -71.3 | 155.8 | 180 | -73.9 | -179.4 | 165.9 | -77.6 | 0 | 111.6 | R80 F98 E99 L103 E105 L106 | R80-K101 PolarHBondContact NH2-O 3.26Å; F98-K101 HydrophobicContact CB-CD 3.95Å; F98-K101 HydrophobicContact CD1-CD 3.76Å; F98-K101 HydrophobicContact CG-CD 4.23Å; F98-K101 WeakPolarHBondContact O-CB 3.36Å; F98-K101 PolarHBondContact O-N 3.43Å; E99-K101 PolarHBondContact O-N 2.89Å; K101-L103 PolarHBondContact O-N 2.99Å; K101-E105 HydrophobicContact CD-CG 4.41Å; K101-E105 VanDerWaalsContact NZ-CD 3.34Å; K101-E105 IonicContact NZ-OE1 3.57Å; K101-E105 PolarHBondContact NZ-OE1 3.43Å; K101-E105 IonicContact NZ-OE2 2.74Å; K101-E105 PolarHBondContact NZ-OE2 2.93Å; K101-L106 HydrophobicContact CB-CG 4.33Å |
| 102 | P | 91.7 | Very high | 91.7 | Very high | 78 Ų | 78 | 70.3 Ų | 70.3 | 51% | 0.506 | 36% | 0.356 | S | S | . | . | trans | -58.5 | 139.9 | 172.8 | 24.4 | -33.9 | 0 | 0 | 0 | 110.4 | A104 E105 L106 | P102-A104 PolarHBondContact O-N 3.4Å; P102-A104 VanDerWaalsContact O-N 3.09Å; P102-E105 HydrophobicContact CG-CB 3.96Å; P102-E105 WeakPolarHBondContact O-CA 3.37Å; P102-E105 WeakPolarHBondContact O-CB 3.3Å; P102-E105 PolarHBondContact O-N 3.07Å; P102-L106 PolarHBondContact O-N 3.31Å | ||
| 103 | L | 91.2 | Very high | 91.7 | Very high | 8 Ų | 8 | 69.9 Ų | 69.9 | 4% | 0.042 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58 | -31.6 | -172.4 | -167.7 | 56.2 | 0 | 0 | 0 | 113.5 | L60 I79 R80 F83 K101 E105 L106 A107 | L60-L103 HydrophobicContact CD1-CD2 3.36Å; L60-L103 HydrophobicContact CD1-CG 3.55Å; L60-L103 HydrophobicContact CD2-CB 4.35Å; L60-L103 HydrophobicContact CD2-CG 3.85Å; L60-L103 WeakPolarHBondContact CD2-O 3.49Å; L60-L103 HydrophobicContact CG-CG 4.36Å; I79-L103 HydrophobicContact CB-CD2 4.3Å; I79-L103 HydrophobicContact CG2-CD2 3.69Å; R80-L103 HydrophobicContact CB-CD1 4.26Å; R80-L103 HydrophobicContact CB-CD2 4.06Å; R80-L103 HydrophobicContact CG-CD1 4.19Å; F83-L103 HydrophobicContact CB-CD1 4.2Å; F83-L103 HydrophobicContact CD1-CD1 3.49Å; F83-L103 VanDerWaalsContact CD1-CD1 3.49Å; F83-L103 HydrophobicContact CD1-CG 4.46Å; F83-L103 HydrophobicContact CE1-CD1 4.15Å; F83-L103 HydrophobicContact CG-CD1 4.01Å; K101-L103 PolarHBondContact O-N 2.99Å; L103-E105 VanDerWaalsContact C-N 3.32Å; L103-E105 PolarHBondContact O-N 3.24Å; L103-L106 HydrophobicContact CD1-CD1 4.25Å; L103-L106 PolarHBondContact O-N 3.16Å; L103-A107 PolarHBondContact O-N 2.83Å |
| 104 | A | 92 | Very high | 91.6 | Very high | 57 Ų | 57 | 67.5 Ų | 67.5 | 47% | 0.471 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -63.8 | -33.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P102 R108 | P102-A104 PolarHBondContact O-N 3.4Å; P102-A104 VanDerWaalsContact O-N 3.09Å; A104-R108 WeakPolarHBondContact O-CG 3.29Å; A104-R108 PolarHBondContact O-N 3.11Å |
| 105 | E | 93.5 | Very high | 91.4 | Very high | 72 Ų | 72 | 68.1 Ų | 68.1 | 34% | 0.336 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -75.1 | -43.8 | 176 | -168.8 | -178.6 | 172.4 | 0 | 0 | 110.7 | K101 P102 L103 A107 R108 L109 | K101-E105 HydrophobicContact CD-CG 4.41Å; K101-E105 VanDerWaalsContact NZ-CD 3.34Å; K101-E105 IonicContact NZ-OE1 3.57Å; K101-E105 PolarHBondContact NZ-OE1 3.43Å; K101-E105 IonicContact NZ-OE2 2.74Å; K101-E105 PolarHBondContact NZ-OE2 2.93Å; P102-E105 HydrophobicContact CG-CB 3.96Å; P102-E105 WeakPolarHBondContact O-CA 3.37Å; P102-E105 WeakPolarHBondContact O-CB 3.3Å; P102-E105 PolarHBondContact O-N 3.07Å; L103-E105 VanDerWaalsContact C-N 3.32Å; L103-E105 PolarHBondContact O-N 3.24Å; E105-A107 VanDerWaalsContact C-N 3.25Å; E105-A107 PolarHBondContact O-N 3.5Å; E105-R108 WeakPolarHBondContact O-CB 3.4Å; E105-R108 PolarHBondContact O-N 3.48Å; E105-R108 VanDerWaalsContact O-N 3.1Å; E105-L109 PolarHBondContact O-N 2.89Å |
| 106 | L | 93.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -54.3 | -42.8 | 173 | -78.3 | 172.9 | 0 | 0 | 0 | 111.9 | L95 F98 K101 P102 L103 R108 L109 A110 | L95-L106 HydrophobicContact CB-CD2 4.22Å; L95-L106 HydrophobicContact CD2-CD2 4Å; L95-L106 HydrophobicContact CG-CD2 4.49Å; F98-L106 HydrophobicContact CB-CD2 3.77Å; F98-L106 WeakPolarHBondContact O-CD2 3.41Å; K101-L106 HydrophobicContact CB-CG 4.33Å; P102-L106 PolarHBondContact O-N 3.31Å; L103-L106 HydrophobicContact CD1-CD1 4.25Å; L103-L106 PolarHBondContact O-N 3.16Å; L106-R108 PolarHBondContact O-N 3.4Å; L106-L109 PolarHBondContact O-N 2.99Å; L106-A110 WeakPolarHBondContact O-CB 3.24Å; L106-A110 PolarHBondContact O-N 3.33Å |
| 107 | A | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -67.2 | -35.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L60 F83 L103 E105 A110 D111 | L60-A107 HydrophobicContact CB-CB 4.16Å; L60-A107 HydrophobicContact CD2-CB 3.7Å; F83-A107 HydrophobicContact CE1-CB 4.28Å; F83-A107 HydrophobicContact CE2-CB 4.03Å; F83-A107 HydrophobicContact CZ-CB 3.58Å; L103-A107 PolarHBondContact O-N 2.83Å; E105-A107 VanDerWaalsContact C-N 3.25Å; E105-A107 PolarHBondContact O-N 3.5Å; A107-A110 PolarHBondContact O-N 3.43Å; A107-D111 VanDerWaalsContact O-CG 3.23Å; A107-D111 PolarHBondContact O-N 3.36Å |
| 108 | R | 94.1 | Very high | 90.1 | Very high | 169 Ų | 169 | 73.3 Ų | 73.3 | 64% | 0.638 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.8 | -36.6 | 172.8 | -70.2 | 173.3 | -178.4 | -175.2 | 1.2 | 112.2 | A104 E105 L106 R112 | A104-R108 WeakPolarHBondContact O-CG 3.29Å; A104-R108 PolarHBondContact O-N 3.11Å; E105-R108 WeakPolarHBondContact O-CB 3.4Å; E105-R108 PolarHBondContact O-N 3.48Å; E105-R108 VanDerWaalsContact O-N 3.1Å; L106-R108 PolarHBondContact O-N 3.4Å; R108-R112 WeakPolarHBondContact O-CG 3.46Å; R108-R112 PolarHBondContact O-N 3.48Å |
| 109 | L | 93.7 | Very high | 89.4 | Confident | 41 Ų | 41 | 73.3 Ų | 73.3 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 173.7 | -69.5 | 175.2 | 0 | 0 | 0 | 110.8 | L95 F98 E105 L106 D111 R112 L113 | L95-L109 HydrophobicContact CD2-CB 3.6Å; L95-L109 HydrophobicContact CD2-CD1 4.3Å; F98-L109 HydrophobicContact CB-CD1 4.32Å; F98-L109 HydrophobicContact CD1-CD1 4.43Å; F98-L109 HydrophobicContact CD2-CD1 4.1Å; F98-L109 HydrophobicContact CG-CD1 4.02Å; E105-L109 PolarHBondContact O-N 2.89Å; L106-L109 PolarHBondContact O-N 2.99Å; L109-D111 PolarHBondContact O-N 3.09Å; L109-R112 PolarHBondContact O-N 3.13Å; L109-L113 WeakPolarHBondContact O-CG 3.29Å; L109-L113 PolarHBondContact O-N 2.93Å |
| 110 | A | 93 | Very high | 89 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.2 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P56 F83 L87 V91 L95 L106 A107 R112 L113 L114 | P56-A110 HydrophobicContact CB-CB 3.57Å; P56-A110 HydrophobicContact CG-CB 3.65Å; F83-A110 HydrophobicContact CZ-CB 4.4Å; L87-A110 HydrophobicContact CD1-CB 4.17Å; L87-A110 HydrophobicContact CD2-CB 4.43Å; V91-A110 HydrophobicContact CG1-CB 3.9Å; L95-A110 HydrophobicContact CD1-CB 4.02Å; L106-A110 WeakPolarHBondContact O-CB 3.24Å; L106-A110 PolarHBondContact O-N 3.33Å; A107-A110 PolarHBondContact O-N 3.43Å; A110-R112 VanDerWaalsContact C-N 3.32Å; A110-R112 PolarHBondContact O-N 2.91Å; A110-L113 PolarHBondContact O-N 2.99Å; A110-L114 PolarHBondContact O-N 3.4Å |
| 111 | D | 93.5 | Very high | 88.1 | Confident | 37 Ų | 37 | 73.4 Ų | 73.4 | 20% | 0.198 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -55.3 | -47.3 | 174.3 | -70.8 | -10.1 | 0 | 0 | 0 | 111.2 | P55 P56 S57 A107 L109 L114 A115 | P55-D111 VanDerWaalsContact C-OD1 3.31Å; P55-D111 WeakPolarHBondContact CB-OD1 3.47Å; P56-D111 WeakPolarHBondContact CA-OD1 3.5Å; P56-D111 WeakPolarHBondContact CB-OD1 3.33Å; P56-D111 WeakPolarHBondContact CD-OD1 3.39Å; S57-D111 WeakPolarHBondContact CB-OD2 3.47Å; S57-D111 PolarHBondContact N-OD1 3.2Å; S57-D111 PolarHBondContact OG-OD2 3.06Å; A107-D111 VanDerWaalsContact O-CG 3.23Å; A107-D111 PolarHBondContact O-N 3.36Å; L109-D111 PolarHBondContact O-N 3.09Å; D111-L114 PolarHBondContact O-N 2.99Å; D111-A115 WeakPolarHBondContact O-CB 3.45Å; D111-A115 PolarHBondContact O-N 2.83Å |
| 112 | R | 92.3 | Very high | 87 | Confident | 172 Ų | 172 | 75.2 Ų | 75.2 | 65% | 0.649 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -65.3 | -41.2 | 179.5 | -69.5 | 175.1 | -176.4 | -171.6 | 0.6 | 112 | R108 L109 A110 A115 L116 | R108-R112 WeakPolarHBondContact O-CG 3.46Å; R108-R112 PolarHBondContact O-N 3.48Å; L109-R112 PolarHBondContact O-N 3.13Å; A110-R112 VanDerWaalsContact C-N 3.32Å; A110-R112 PolarHBondContact O-N 2.91Å; R112-A115 PolarHBondContact O-N 3.08Å; R112-L116 WeakPolarHBondContact O-CB 3.39Å; R112-L116 VanDerWaalsContact O-CG 3.26Å; R112-L116 WeakPolarHBondContact O-CG 3.31Å; R112-L116 PolarHBondContact O-N 3.45Å |
| 113 | L | 91.2 | Very high | 85.4 | Confident | 59 Ų | 59 | 74.6 Ų | 74.6 | 31% | 0.309 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 178.2 | -73.1 | 169.4 | 0 | 0 | 0 | 111.8 | V91 A94 L95 L109 A110 R117 | V91-L113 HydrophobicContact CG1-CB 4.43Å; V91-L113 HydrophobicContact CG1-CD1 4.03Å; A94-L113 HydrophobicContact CB-CD1 3.64Å; A94-L113 HydrophobicContact CB-CD2 4.15Å; L95-L113 HydrophobicContact CD2-CD1 4.04Å; L95-L113 HydrophobicContact CG-CD1 4.18Å; L109-L113 WeakPolarHBondContact O-CG 3.29Å; L109-L113 PolarHBondContact O-N 2.93Å; A110-L113 PolarHBondContact O-N 2.99Å; L113-R117 PolarHBondContact O-N 3.21Å |
| 114 | L | 89.5 | Confident | 83.6 | Confident | 26 Ų | 26 | 79 Ų | 79 | 14% | 0.136 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 176 | -71.3 | 178.1 | 0 | 0 | 0 | 112.1 | L51 P56 P88 V91 A110 D111 L116 R117 E118 | L51-L114 HydrophobicContact CD2-CD1 4.31Å; P56-L114 HydrophobicContact CG-CD1 3.46Å; P56-L114 VanDerWaalsContact CG-CD1 3.46Å; P88-L114 HydrophobicContact CG-CD2 4.23Å; V91-L114 HydrophobicContact CG2-CD2 3.62Å; V91-L114 HydrophobicContact CG2-CG 4.06Å; A110-L114 PolarHBondContact O-N 3.4Å; D111-L114 PolarHBondContact O-N 2.99Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3Å; L114-R117 WeakPolarHBondContact O-CB 3.43Å; L114-R117 PolarHBondContact O-N 3.3Å; L114-R117 VanDerWaalsContact O-N 3.1Å; L114-E118 PolarHBondContact O-N 3.44Å |
| 115 | A | 88.2 | Confident | 82 | Confident | 54 Ų | 54 | 80.7 Ų | 80.7 | 45% | 0.446 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | D111 R112 R117 E118 S119 | D111-A115 WeakPolarHBondContact O-CB 3.45Å; D111-A115 PolarHBondContact O-N 2.83Å; R112-A115 PolarHBondContact O-N 3.08Å; A115-R117 VanDerWaalsContact C-N 3.32Å; A115-R117 PolarHBondContact O-N 3.03Å; A115-E118 PolarHBondContact O-N 3.48Å; A115-S119 WeakPolarHBondContact O-CB 3.25Å; A115-S119 PolarHBondContact O-N 3.37Å |
| 116 | L | 86.4 | Confident | 80.4 | Confident | 108 Ų | 108 | 83.5 Ų | 83.5 | 57% | 0.565 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62 | -40.6 | 174.3 | -74.7 | 167.5 | 0 | 0 | 0 | 111.6 | R112 L114 S119 Q120 | R112-L116 WeakPolarHBondContact O-CB 3.39Å; R112-L116 VanDerWaalsContact O-CG 3.26Å; R112-L116 WeakPolarHBondContact O-CG 3.31Å; R112-L116 PolarHBondContact O-N 3.45Å; L114-L116 VanDerWaalsContact C-N 3.32Å; L114-L116 PolarHBondContact O-N 3Å; L116-S119 PolarHBondContact O-N 2.87Å; L116-Q120 WeakPolarHBondContact O-CG 3.45Å; L116-Q120 PolarHBondContact O-N 3.4Å |
| 117 | R | 82.1 | Confident | 78.4 | Confident | 100 Ų | 100 | 93.5 Ų | 93.5 | 38% | 0.377 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 177.7 | -173.2 | -178.2 | 178.8 | -164.4 | -0.3 | 111.8 | Q90 L113 L114 A115 S119 Q120 L121 | Q90-R117 VanDerWaalsContact OE1-CZ 3.26Å; L113-R117 PolarHBondContact O-N 3.21Å; L114-R117 WeakPolarHBondContact O-CB 3.43Å; L114-R117 PolarHBondContact O-N 3.3Å; L114-R117 VanDerWaalsContact O-N 3.1Å; A115-R117 VanDerWaalsContact C-N 3.32Å; A115-R117 PolarHBondContact O-N 3.03Å; R117-S119 VanDerWaalsContact C-N 3.3Å; R117-S119 PolarHBondContact O-N 2.94Å; R117-Q120 PolarHBondContact O-N 3.41Å; R117-Q120 VanDerWaalsContact O-N 3.16Å; R117-L121 HydrophobicContact CG-CD1 4.46Å; R117-L121 WeakPolarHBondContact O-CG 3.37Å; R117-L121 PolarHBondContact O-N 3.46Å |
| 118 | E | 79.4 | Confident | 76.7 | Confident | 130 Ų | 130 | 97.1 Ų | 97.1 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.8 | -41 | 175.8 | -71 | 175.1 | -173.6 | 0 | 0 | 111.4 | L114 A115 Q120 L121 S122 | L114-E118 PolarHBondContact O-N 3.44Å; A115-E118 PolarHBondContact O-N 3.48Å; E118-Q120 VanDerWaalsContact C-N 3.31Å; E118-Q120 PolarHBondContact O-N 3Å; E118-L121 PolarHBondContact O-N 3.24Å; E118-S122 PolarHBondContact O-N 3.02Å |
| 119 | S | 76.9 | Confident | 74.6 | Confident | 81 Ų | 81 | 94.1 Ų | 94.1 | 57% | 0.566 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.6 | -36.3 | 174.5 | -174.7 | 0 | 0 | 0 | 0 | 112.8 | A115 L116 R117 A123 | A115-S119 WeakPolarHBondContact O-CB 3.25Å; A115-S119 PolarHBondContact O-N 3.37Å; L116-S119 PolarHBondContact O-N 2.87Å; R117-S119 VanDerWaalsContact C-N 3.3Å; R117-S119 PolarHBondContact O-N 2.94Å; S119-A123 PolarHBondContact O-N 3.17Å |
| 120 | Q | 75.6 | Confident | 73 | Confident | 147 Ų | 147 | 97.4 Ų | 97.4 | 69% | 0.687 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -70.1 | -35.5 | 176.9 | -74.2 | 175.5 | -16.8 | 0 | 0 | 112.3 | L116 R117 E118 A123 | L116-Q120 WeakPolarHBondContact O-CG 3.45Å; L116-Q120 PolarHBondContact O-N 3.4Å; R117-Q120 PolarHBondContact O-N 3.41Å; R117-Q120 VanDerWaalsContact O-N 3.16Å; E118-Q120 VanDerWaalsContact C-N 3.31Å; E118-Q120 PolarHBondContact O-N 3Å; Q120-A123 PolarHBondContact O-N 2.92Å |
| 121 | L | 68.8 | Low | 71.2 | Confident | 134 Ų | 134 | 105 Ų | 105 | 70% | 0.702 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -74.7 | -29.7 | 177.5 | -63.3 | 174.3 | 0 | 0 | 0 | 112.3 | R117 E118 A123 | R117-L121 HydrophobicContact CG-CD1 4.46Å; R117-L121 WeakPolarHBondContact O-CG 3.37Å; R117-L121 PolarHBondContact O-N 3.46Å; E118-L121 PolarHBondContact O-N 3.24Å; L121-A123 VanDerWaalsContact C-N 3.32Å |
| 122 | S | 68.1 | Low | 69.1 | Low | 105 Ų | 105 | 105.1 Ų | 105.1 | 73% | 0.734 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -79.1 | -14 | 175.4 | -172.4 | 0 | 0 | 0 | 0 | 113.5 | E118 S124 | E118-S122 PolarHBondContact O-N 3.02Å; S122-S124 PolarHBondContact O-N 3.42Å; S122-S124 VanDerWaalsContact O-N 3.15Å |
| 123 | A | 57.4 | Low | 67.4 | Low | 66 Ų | 66 | 101.4 Ų | 101.4 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -76.6 | 100.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | S119 Q120 L121 | S119-A123 PolarHBondContact O-N 3.17Å; Q120-A123 PolarHBondContact O-N 2.92Å; L121-A123 VanDerWaalsContact C-N 3.32Å |
| 124 | S | 53.4 | Low | 65.7 | Low | 100 Ų | 100 | 105 Ų | 105 | 70% | 0.699 | 60% | 0.6 | S | S | * | * | trans | -54.1 | 130.9 | 171.6 | -159.6 | 0 | 0 | 0 | 0 | 109.1 | S122 V126 | S122-S124 PolarHBondContact O-N 3.42Å; S122-S124 VanDerWaalsContact O-N 3.15Å; S124-V126 PolarHBondContact O-N 3.25Å | ||
| 125 | P | 58.3 | Low | 64.2 | Low | 93 Ų | 93 | 107 Ų | 107 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | trans | -65.9 | 104.8 | 180 | 27.4 | -33.1 | 0 | 0 | 0 | 108.5 | Y127 | P125-Y127 HydrophobicContact CB-CD2 3.74Å; P125-Y127 HydrophobicContact CB-CE2 3.63Å; P125-Y127 HydrophobicContact CG-CD2 4.35Å; P125-Y127 HydrophobicContact CG-CE2 4.33Å; P125-Y127 PolarHBondContact O-N 3.34Å | ||
| 126 | V | 59 | Low | 62.8 | Low | 130 Ų | 130 | 113.8 Ų | 113.8 | 79% | 0.788 | 63% | 0.634 | S | S | * | * | trans | -73.4 | 75.8 | 168.5 | -175.6 | 0 | 0 | 0 | 0 | 107 | S124 A128 | S124-V126 PolarHBondContact O-N 3.25Å; V126-A128 HydrophobicContact CG1-CB 4.1Å; V126-A128 PolarHBondContact O-N 3.3Å | ||
| 127 | Y | 53.1 | Low | 61.5 | Low | 211 Ų | 211 | 114.6 Ų | 114.6 | 83% | 0.827 | 64% | 0.638 | S | S | * | * | trans | -73.3 | 80 | 156.2 | -70.6 | -75.9 | 0 | 0 | 0 | 106.4 | P125 T129 | P125-Y127 HydrophobicContact CB-CD2 3.74Å; P125-Y127 HydrophobicContact CB-CE2 3.63Å; P125-Y127 HydrophobicContact CG-CD2 4.35Å; P125-Y127 HydrophobicContact CG-CE2 4.33Å; P125-Y127 PolarHBondContact O-N 3.34Å; Y127-T129 PolarHBondContact O-N 3.47Å | ||
| 128 | A | 56.2 | Low | 60.6 | Low | 77 Ų | 77 | 115 Ų | 115 | 64% | 0.636 | 65% | 0.648 | S | S | * | * | trans | -63.7 | 108.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | V126 T130 | V126-A128 HydrophobicContact CG1-CB 4.1Å; V126-A128 PolarHBondContact O-N 3.3Å; A128-T130 PolarHBondContact O-N 3.37Å; A128-T130 VanDerWaalsContact O-N 3.09Å | ||
| 129 | T | 51.6 | Low | 59.9 | Low | 105 Ų | 105 | 115.1 Ų | 115.1 | 64% | 0.644 | 65% | 0.653 | S | S | * | * | trans | -12.7 | 98.7 | 159.9 | -60.7 | 0 | 0 | 0 | 0 | 114.1 | Y127 Q131 | Y127-T129 PolarHBondContact O-N 3.47Å; T129-Q131 HydrophobicContact CG2-CB 3.87Å; T129-Q131 PolarHBondContact O-N 2.97Å | ||
| 130 | T | 59.8 | Low | 59.2 | Low | 110 Ų | 110 | 118.2 Ų | 118.2 | 68% | 0.675 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -8.7 | 164.1 | 43.3 | 0 | 0 | 0 | 0 | 112.6 | A128 G132 V133 | A128-T130 PolarHBondContact O-N 3.37Å; A128-T130 VanDerWaalsContact O-N 3.09Å; T130-G132 VanDerWaalsContact C-N 3.27Å; T130-G132 PolarHBondContact O-N 3.2Å; T130-V133 WeakPolarHBondContact O-CG2 3.46Å |
| 131 | Q | 54.1 | Low | 58.7 | Low | 161 Ų | 161 | 119 Ų | 119 | 75% | 0.752 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -73.1 | -10 | 178.3 | -80.8 | 176.8 | -33.4 | 0 | 0 | 115 | T129 | T129-Q131 HydrophobicContact CG2-CB 3.87Å; T129-Q131 PolarHBondContact O-N 2.97Å |
| 132 | G | 49.4 | Very low | 58.4 | Low | 39 Ų | 39 | 121.6 Ų | 121.6 | 40% | 0.402 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -91.9 | -17.3 | 178 | 0 | 0 | 0 | 0 | 0 | 115 | T130 R136 | T130-G132 VanDerWaalsContact C-N 3.27Å; T130-G132 PolarHBondContact O-N 3.2Å; G132-R136 WeakPolarHBondContact O-CG 3.48Å |
| 133 | V | 56.9 | Low | 57.5 | Low | 93 Ų | 93 | 129.1 Ų | 129.1 | 56% | 0.564 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -88.6 | -30.9 | 178.9 | -80.5 | 0 | 0 | 0 | 0 | 112.1 | T130 R136 L137 | T130-V133 WeakPolarHBondContact O-CG2 3.46Å; V133-R136 PolarHBondContact O-N 3.28Å; V133-L137 PolarHBondContact O-N 3.01Å |
| 134 | E | 55.6 | Low | 57.5 | Low | 136 Ų | 136 | 132.3 Ų | 132.3 | 64% | 0.636 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -68.3 | -40.8 | 175.2 | -64.8 | -165.7 | 135.4 | 0 | 0 | 111.6 | R136 L137 D138 | E134-R136 PolarHBondContact O-N 3.09Å; E134-L137 PolarHBondContact O-N 3.32Å; E134-L137 VanDerWaalsContact O-N 3.1Å; E134-D138 PolarHBondContact O-N 3.34Å |
| 135 | A | 57.8 | Low | 57.8 | Low | 68 Ų | 68 | 134 Ų | 134 | 56% | 0.562 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -65.6 | -20 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 136 | R | 58 | Low | 57.7 | Low | 195 Ų | 195 | 136.3 Ų | 136.3 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -90 | -19.1 | 174.9 | -65.1 | -170.7 | 88.8 | 179.5 | 7.2 | 113.1 | G132 V133 E134 | G132-R136 WeakPolarHBondContact O-CG 3.48Å; V133-R136 PolarHBondContact O-N 3.28Å; E134-R136 PolarHBondContact O-N 3.09Å |
| 137 | L | 59.6 | Low | 57.7 | Low | 126 Ų | 126 | 136.6 Ų | 136.6 | 66% | 0.66 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -76.9 | -40 | 174.7 | -101 | 149 | 0 | 0 | 0 | 110.9 | V133 E134 D139 L140 | V133-L137 PolarHBondContact O-N 3.01Å; E134-L137 PolarHBondContact O-N 3.32Å; E134-L137 VanDerWaalsContact O-N 3.1Å; L137-D139 VanDerWaalsContact C-N 3.31Å; L137-D139 PolarHBondContact O-N 3.37Å; L137-L140 PolarHBondContact O-N 3.21Å |
| 138 | D | 63.2 | Low | 57.9 | Low | 108 Ų | 108 | 132 Ų | 132 | 58% | 0.578 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | -28 | 175.9 | -86.9 | -48.2 | 0 | 0 | 0 | 114 | E134 L140 | E134-D138 PolarHBondContact O-N 3.34Å; D138-L140 VanDerWaalsContact C-N 3.33Å |
| 139 | D | 65.9 | Low | 58.1 | Low | 133 Ų | 133 | 135.7 Ų | 135.7 | 71% | 0.711 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -14.4 | -178.9 | -151.9 | 45.2 | 0 | 0 | 0 | 112.9 | L137 | L137-D139 VanDerWaalsContact C-N 3.31Å; L137-D139 PolarHBondContact O-N 3.37Å |
| 140 | L | 61.8 | Low | 58.5 | Low | 146 Ų | 146 | 137.9 Ų | 137.9 | 76% | 0.764 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -13.3 | 175.8 | -80.7 | 166.9 | 0 | 0 | 0 | 113.7 | L137 D138 | L137-L140 PolarHBondContact O-N 3.21Å; D138-L140 VanDerWaalsContact C-N 3.33Å |
| 141 | E | 65.3 | Low | 58.4 | Low | 163 Ų | 163 | 140 Ų | 140 | 76% | 0.762 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -92.5 | -0.2 | -179.6 | -149.1 | 175.1 | 174.7 | 0 | 0 | 113.5 | ||
| 142 | K | 61.3 | Low | 58.8 | Low | 189 Ų | 189 | 138.3 Ų | 138.3 | 82% | 0.822 | 70% | 0.695 | S | S | * | * | trans | -109.3 | 21.4 | -178 | -72 | -170.2 | 179.5 | 174.2 | 0 | 115.7 | ||||
| 143 | K | 50.7 | Low | 59.6 | Low | 263 Ų | 263 | 147.3 Ų | 147.3 | 100% | 1.143 | 72% | 0.722 | S | S | * | * | trans | -124.8 | 0 | 179.2 | -149 | 177.9 | -172.2 | -179.2 | 0 | 112 |
Retrieved 143 of 143 residues in 66.9 ms
(Link to these results)