| 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 | 33.9 | Very low | 44.4 | Very low | 125 Ų | 125 | 80.1 Ų | 80.1 | 62% | 0.616 | 39% | 0.393 | S | S | * | . | 0 | -51.5 | 0 | -152.9 | 172.9 | 113.8 | 0 | 0 | 113.1 | F4 V5 I351 F398 | M1-F4 CarbonylContact O-C 3.55Å; M1-F4 VanDerWaalsContact O-CA 3.27Å; M1-F4 WeakPolarHBondContact O-CA 3.28Å; M1-F4 WeakPolarHBondContact O-CB 3.31Å; M1-F4 PolarHBondContact O-N 3.07Å; M1-V5 PolarHBondContact O-N 3.26Å; M1-I351 HydrophobicContact CE-CD1 4.33Å; M1-F398 HydrophobicContact CB-CE2 4.01Å; M1-F398 HydrophobicContact CE-CE2 3.91Å; M1-F398 HydrophobicContact CE-CZ 4.04Å; M1-F398 HydrophobicContact CG-CE2 4.48Å; M1-F398 HydrophobicContact SD-CE2 4.09Å | |||
| 2 | W | 37.2 | Very low | 44.1 | Very low | 23 Ų | 23 | 79.8 Ų | 79.8 | 9% | 0.087 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 173.4 | -103.3 | 70.6 | 0 | 0 | 0 | 113.6 | F4 V5 I6 I176 P180 Y355 F398 L402 | W2-F4 PolarHBondContact O-N 3.32Å; W2-F4 VanDerWaalsContact O-N 3.1Å; W2-V5 CarbonylContact O-C 3.6Å; W2-V5 WeakPolarHBondContact O-CA 3.49Å; W2-V5 PolarHBondContact O-N 2.7Å; W2-I6 HydrophobicContact CE3-CG1 4.5Å; W2-I6 WeakPolarHBondContact O-CB 3.28Å; W2-I6 VanDerWaalsContact O-CG1 3.27Å; W2-I6 WeakPolarHBondContact O-CG1 3.19Å; W2-I6 PolarHBondContact O-N 3.11Å; W2-I176 HydrophobicContact CZ3-CG2 4.39Å; W2-I176 WeakPolarHBondContact CZ3-O 3.41Å; W2-P180 HydrophobicContact CD2-CG 4.19Å; W2-P180 HydrophobicContact CE3-CG 3.9Å; W2-P180 HydrophobicContact CH2-CG 3.65Å; W2-P180 HydrophobicContact CZ2-CG 3.93Å; W2-P180 HydrophobicContact CZ3-CG 3.62Å; W2-Y355 AromaticContact CH2-CD2 3.79Å; W2-Y355 HydrophobicContact CH2-CD2 3.79Å; W2-Y355 AromaticContact CH2-CE2 3.98Å; W2-Y355 HydrophobicContact CH2-CE2 3.98Å; W2-Y355 HydrophobicContact CH2-CG 4.18Å; W2-Y355 HydrophobicContact CZ2-CD2 4.27Å; W2-Y355 HydrophobicContact CZ2-CG 4.29Å; W2-F398 AromaticContact CD1-CE1 3.66Å; W2-F398 AromaticContact CD1-CZ 3.45Å; W2-F398 VanDerWaalsContact CD1-CZ 3.45Å; W2-F398 AromaticContact NE1-CE1 3.8Å; W2-F398 AromaticContact NE1-CZ 3.9Å; W2-L402 HydrophobicContact CB-CD1 3.48Å; W2-L402 VanDerWaalsContact CB-CD1 3.48Å; W2-L402 HydrophobicContact CB-CD2 4.06Å; W2-L402 HydrophobicContact CB-CG 4.42Å; W2-L402 HydrophobicContact CD2-CD1 4.24Å; W2-L402 HydrophobicContact CD2-CD2 3.72Å; W2-L402 HydrophobicContact CG-CD1 3.75Å; W2-L402 HydrophobicContact CG-CD2 3.42Å; W2-L402 VanDerWaalsContact CG-CD2 3.42Å; W2-L402 HydrophobicContact CG-CG 4.24Å |
| 3 | M | 43.5 | Very low | 44 | Very low | 119 Ų | 119 | 77.1 Ų | 77.1 | 59% | 0.586 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -54.8 | -27.9 | 164.4 | -78.6 | -172.1 | -173.8 | 0 | 0 | 113.2 | F7 | M3-F7 WeakPolarHBondContact O-CB 3.29Å; M3-F7 PolarHBondContact O-N 3.42Å |
| 4 | F | 43.8 | Very low | 43.8 | Very low | 124 Ų | 124 | 77.1 Ų | 77.1 | 54% | 0.544 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -81.6 | -27.3 | 176.4 | -165.1 | -97.3 | 0 | 0 | 0 | 112.4 | M1 W2 F7 L8 | M1-F4 CarbonylContact O-C 3.55Å; M1-F4 VanDerWaalsContact O-CA 3.27Å; M1-F4 WeakPolarHBondContact O-CA 3.28Å; M1-F4 WeakPolarHBondContact O-CB 3.31Å; M1-F4 PolarHBondContact O-N 3.07Å; W2-F4 PolarHBondContact O-N 3.32Å; W2-F4 VanDerWaalsContact O-N 3.1Å; F4-F7 HydrophobicContact CD2-CD1 4.18Å; F4-F7 HydrophobicContact CE2-CD1 4.25Å; F4-L8 HydrophobicContact CD1-CD1 3.81Å; F4-L8 HydrophobicContact CD1-CG 4.42Å; F4-L8 HydrophobicContact CE1-CD1 3.7Å; F4-L8 HydrophobicContact CE1-CG 4.28Å; F4-L8 VanDerWaalsContact O-CB 3.26Å; F4-L8 WeakPolarHBondContact O-CB 3.28Å; F4-L8 WeakPolarHBondContact O-CG 3.4Å; F4-L8 PolarHBondContact O-N 2.98Å |
| 5 | V | 47.9 | Very low | 43.6 | Very low | 40 Ų | 40 | 75 Ų | 75 | 24% | 0.242 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -75.3 | -37.8 | 169.6 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | M1 W2 L8 I9 | M1-V5 PolarHBondContact O-N 3.26Å; W2-V5 CarbonylContact O-C 3.6Å; W2-V5 WeakPolarHBondContact O-CA 3.49Å; W2-V5 PolarHBondContact O-N 2.7Å; V5-L8 CarbonylContact O-C 3.34Å; V5-L8 PolarHBondContact O-N 3.19Å; V5-I9 HydrophobicContact CG1-CD1 3.83Å; V5-I9 HydrophobicContact CG1-CG1 4.44Å; V5-I9 WeakPolarHBondContact O-CB 3.25Å; V5-I9 VanDerWaalsContact O-CG1 3.23Å; V5-I9 WeakPolarHBondContact O-CG1 3.48Å; V5-I9 PolarHBondContact O-N 3.43Å |
| 6 | I | 51.9 | Low | 43.7 | Very low | 42 Ų | 42 | 75.8 Ų | 75.8 | 22% | 0.215 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 171.1 | -64.5 | 168.4 | 0 | 0 | 0 | 109.6 | W2 L8 I9 L10 I176 | W2-I6 HydrophobicContact CE3-CG1 4.5Å; W2-I6 WeakPolarHBondContact O-CB 3.28Å; W2-I6 VanDerWaalsContact O-CG1 3.27Å; W2-I6 WeakPolarHBondContact O-CG1 3.19Å; W2-I6 PolarHBondContact O-N 3.11Å; I6-L8 VanDerWaalsContact C-N 3.31Å; I6-L8 PolarHBondContact O-N 3.48Å; I6-I9 PolarHBondContact O-N 3.22Å; I6-I9 VanDerWaalsContact O-N 3.11Å; I6-L10 HydrophobicContact CG2-CD1 3.82Å; I6-L10 HydrophobicContact CG2-CG 4.3Å; I6-L10 WeakPolarHBondContact O-CB 3.47Å; I6-L10 VanDerWaalsContact O-CG 3.31Å; I6-L10 WeakPolarHBondContact O-CG 3.35Å; I6-L10 PolarHBondContact O-N 3.04Å; I6-I176 HydrophobicContact CD1-CG2 3.39Å; I6-I176 HydrophobicContact CG1-CG2 3.47Å; I6-I176 VanDerWaalsContact CG1-CG2 3.47Å |
| 7 | F | 48.2 | Very low | 43.7 | Very low | 115 Ų | 115 | 81.8 Ų | 81.8 | 50% | 0.504 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -57.4 | -41.6 | 171.4 | -175.5 | -115.6 | 0 | 0 | 0 | 111.4 | M3 F4 L11 | M3-F7 WeakPolarHBondContact O-CB 3.29Å; M3-F7 PolarHBondContact O-N 3.42Å; F4-F7 HydrophobicContact CD2-CD1 4.18Å; F4-F7 HydrophobicContact CE2-CD1 4.25Å; F7-L11 HydrophobicContact CD1-CD1 3.64Å; F7-L11 HydrophobicContact CD2-CD1 4.27Å; F7-L11 HydrophobicContact CD2-CG 4.47Å; F7-L11 HydrophobicContact CE1-CD1 3.44Å; F7-L11 VanDerWaalsContact CE1-CD1 3.44Å; F7-L11 HydrophobicContact CE2-CD1 4.08Å; F7-L11 HydrophobicContact CE2-CG 4.42Å; F7-L11 HydrophobicContact CG-CD1 4.06Å; F7-L11 HydrophobicContact CZ-CD1 3.68Å; F7-L11 HydrophobicContact CZ-CG 4.46Å; F7-L11 WeakPolarHBondContact O-CA 3.47Å; F7-L11 WeakPolarHBondContact O-CB 3.41Å; F7-L11 WeakPolarHBondContact O-CG 3.37Å; F7-L11 PolarHBondContact O-N 2.68Å |
| 8 | L | 42.6 | Very low | 43.7 | Very low | 81 Ų | 81 | 83.3 Ų | 83.3 | 42% | 0.424 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.8 | -30.1 | 173.1 | -86.5 | 166.7 | 0 | 0 | 0 | 114.3 | F4 V5 I6 T12 | F4-L8 HydrophobicContact CD1-CD1 3.81Å; F4-L8 HydrophobicContact CD1-CG 4.42Å; F4-L8 HydrophobicContact CE1-CD1 3.7Å; F4-L8 HydrophobicContact CE1-CG 4.28Å; F4-L8 VanDerWaalsContact O-CB 3.26Å; F4-L8 WeakPolarHBondContact O-CB 3.28Å; F4-L8 WeakPolarHBondContact O-CG 3.4Å; F4-L8 PolarHBondContact O-N 2.98Å; V5-L8 CarbonylContact O-C 3.34Å; V5-L8 PolarHBondContact O-N 3.19Å; I6-L8 VanDerWaalsContact C-N 3.31Å; I6-L8 PolarHBondContact O-N 3.48Å; L8-T12 VanDerWaalsContact O-CB 3.28Å; L8-T12 WeakPolarHBondContact O-CB 3.48Å; L8-T12 VanDerWaalsContact O-CG2 3.28Å; L8-T12 WeakPolarHBondContact O-CG2 3.44Å; L8-T12 PolarHBondContact O-N 3.33Å; L8-T12 PolarHBondContact O-OG1 2.84Å |
| 9 | I | 48.5 | Very low | 44.1 | Very low | 63 Ų | 63 | 84.1 Ų | 84.1 | 32% | 0.323 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -77.2 | -42.9 | 177.2 | -74.2 | 167 | 0 | 0 | 0 | 110.1 | V5 I6 T12 G13 | V5-I9 HydrophobicContact CG1-CD1 3.83Å; V5-I9 HydrophobicContact CG1-CG1 4.44Å; V5-I9 WeakPolarHBondContact O-CB 3.25Å; V5-I9 VanDerWaalsContact O-CG1 3.23Å; V5-I9 WeakPolarHBondContact O-CG1 3.48Å; V5-I9 PolarHBondContact O-N 3.43Å; I6-I9 PolarHBondContact O-N 3.22Å; I6-I9 VanDerWaalsContact O-N 3.11Å; I9-T12 WeakPolarHBondContact CA-OG1 3.45Å; I9-T12 PolarHBondContact O-N 3.37Å; I9-T12 PolarHBondContact O-OG1 3.37Å; I9-G13 PolarHBondContact O-N 3.16Å |
| 10 | L | 48.2 | Very low | 44.3 | Very low | 74 Ų | 74 | 87.3 Ų | 87.3 | 39% | 0.387 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.7 | -41.8 | 172 | -65.3 | 172.9 | 0 | 0 | 0 | 111.1 | I6 N14 | I6-L10 HydrophobicContact CG2-CD1 3.82Å; I6-L10 HydrophobicContact CG2-CG 4.3Å; I6-L10 WeakPolarHBondContact O-CB 3.47Å; I6-L10 VanDerWaalsContact O-CG 3.31Å; I6-L10 WeakPolarHBondContact O-CG 3.35Å; I6-L10 PolarHBondContact O-N 3.04Å; L10-N14 WeakPolarHBondContact O-CB 3.45Å; L10-N14 PolarHBondContact O-N 3.09Å |
| 11 | L | 42.3 | Very low | 44.5 | Very low | 75 Ų | 75 | 89 Ų | 89 | 39% | 0.393 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 172.5 | -79 | 173.9 | 0 | 0 | 0 | 112.3 | F7 A15 | F7-L11 HydrophobicContact CD1-CD1 3.64Å; F7-L11 HydrophobicContact CD2-CD1 4.27Å; F7-L11 HydrophobicContact CD2-CG 4.47Å; F7-L11 HydrophobicContact CE1-CD1 3.44Å; F7-L11 VanDerWaalsContact CE1-CD1 3.44Å; F7-L11 HydrophobicContact CE2-CD1 4.08Å; F7-L11 HydrophobicContact CE2-CG 4.42Å; F7-L11 HydrophobicContact CG-CD1 4.06Å; F7-L11 HydrophobicContact CZ-CD1 3.68Å; F7-L11 HydrophobicContact CZ-CG 4.46Å; F7-L11 WeakPolarHBondContact O-CA 3.47Å; F7-L11 WeakPolarHBondContact O-CB 3.41Å; F7-L11 WeakPolarHBondContact O-CG 3.37Å; F7-L11 PolarHBondContact O-N 2.68Å; L11-A15 WeakPolarHBondContact O-CA 3.45Å; L11-A15 WeakPolarHBondContact O-CB 3.38Å; L11-A15 PolarHBondContact O-N 3.35Å |
| 12 | T | 41.2 | Very low | 45.3 | Very low | 77 Ų | 77 | 87.1 Ų | 87.1 | 47% | 0.472 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -73.7 | -35.6 | 176.1 | 45.8 | 0 | 0 | 0 | 0 | 111.5 | L8 I9 V16 | L8-T12 VanDerWaalsContact O-CB 3.28Å; L8-T12 WeakPolarHBondContact O-CB 3.48Å; L8-T12 VanDerWaalsContact O-CG2 3.28Å; L8-T12 WeakPolarHBondContact O-CG2 3.44Å; L8-T12 PolarHBondContact O-N 3.33Å; L8-T12 PolarHBondContact O-OG1 2.84Å; I9-T12 WeakPolarHBondContact CA-OG1 3.45Å; I9-T12 PolarHBondContact O-N 3.37Å; I9-T12 PolarHBondContact O-OG1 3.37Å; T12-V16 WeakPolarHBondContact O-CB 3.38Å; T12-V16 WeakPolarHBondContact O-CG2 3.34Å; T12-V16 PolarHBondContact O-N 3.44Å |
| 13 | G | 42.7 | Very low | 46 | Very low | 44 Ų | 44 | 89.9 Ų | 89.9 | 45% | 0.454 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.1 | -47 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I9 R17 | I9-G13 PolarHBondContact O-N 3.16Å; G13-R17 PolarHBondContact O-N 3.04Å |
| 14 | N | 41.8 | Very low | 46 | Very low | 78 Ų | 78 | 91.3 Ų | 91.3 | 42% | 0.417 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -79.4 | -37.5 | 179.9 | -71.5 | -17.8 | 0 | 0 | 0 | 113.3 | L10 R17 L18 | L10-N14 WeakPolarHBondContact O-CB 3.45Å; L10-N14 PolarHBondContact O-N 3.09Å; N14-R17 VanDerWaalsContact O-CB 3.29Å; N14-R17 WeakPolarHBondContact O-CB 3.16Å; N14-R17 PolarHBondContact O-N 3.17Å; N14-L18 PolarHBondContact O-N 3.15Å |
| 15 | A | 39.9 | Very low | 45.9 | Very low | 45 Ų | 45 | 91.3 Ų | 91.3 | 37% | 0.372 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -75.1 | -33.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L11 R17 L18 V19 | L11-A15 WeakPolarHBondContact O-CA 3.45Å; L11-A15 WeakPolarHBondContact O-CB 3.38Å; L11-A15 PolarHBondContact O-N 3.35Å; A15-R17 PolarHBondContact O-N 3.14Å; A15-L18 PolarHBondContact O-N 3.27Å; A15-V19 WeakPolarHBondContact O-CB 3.42Å; A15-V19 VanDerWaalsContact O-CG2 3.28Å; A15-V19 WeakPolarHBondContact O-CG2 3.43Å; A15-V19 PolarHBondContact O-N 3.05Å |
| 16 | V | 45.9 | Very low | 45.6 | Very low | 87 Ų | 87 | 96.7 Ų | 96.7 | 53% | 0.527 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.1 | -35.2 | 169.2 | 171.7 | 0 | 0 | 0 | 0 | 110 | T12 M20 | T12-V16 WeakPolarHBondContact O-CB 3.38Å; T12-V16 WeakPolarHBondContact O-CG2 3.34Å; T12-V16 PolarHBondContact O-N 3.44Å; V16-M20 HydrophobicContact CG1-CG 4.25Å; V16-M20 VanDerWaalsContact O-CB 3.25Å; V16-M20 WeakPolarHBondContact O-CB 3.43Å; V16-M20 WeakPolarHBondContact O-CG 3.18Å; V16-M20 PolarHBondContact O-N 2.82Å |
| 17 | R | 43.9 | Very low | 45.2 | Very low | 178 Ų | 178 | 104.2 Ų | 104.2 | 67% | 0.672 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -62.4 | -48.8 | 170.8 | -115.7 | 177.8 | 176 | 169.9 | -0.5 | 112.5 | G13 N14 A15 M20 M21 | G13-R17 PolarHBondContact O-N 3.04Å; N14-R17 VanDerWaalsContact O-CB 3.29Å; N14-R17 WeakPolarHBondContact O-CB 3.16Å; N14-R17 PolarHBondContact O-N 3.17Å; A15-R17 PolarHBondContact O-N 3.14Å; R17-M20 PolarHBondContact O-N 3.1Å; R17-M21 WeakPolarHBondContact O-CG 3.16Å; R17-M21 PolarHBondContact O-N 3.37Å |
| 18 | L | 44 | Very low | 44.7 | Very low | 110 Ų | 110 | 103.5 Ų | 103.5 | 58% | 0.576 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61 | -44.7 | 176.5 | -100.5 | 137.2 | 0 | 0 | 0 | 112.9 | N14 A15 M21 A22 | N14-L18 PolarHBondContact O-N 3.15Å; A15-L18 PolarHBondContact O-N 3.27Å; L18-M21 PolarHBondContact O-N 2.83Å; L18-A22 WeakPolarHBondContact O-CB 3.39Å; L18-A22 PolarHBondContact O-N 3.07Å |
| 19 | V | 50 | Low | 45 | Very low | 98 Ų | 98 | 102.8 Ų | 102.8 | 59% | 0.594 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68.2 | -38.2 | 178.8 | 171 | 0 | 0 | 0 | 0 | 111.6 | A15 M21 S23 | A15-V19 WeakPolarHBondContact O-CB 3.42Å; A15-V19 VanDerWaalsContact O-CG2 3.28Å; A15-V19 WeakPolarHBondContact O-CG2 3.43Å; A15-V19 PolarHBondContact O-N 3.05Å; V19-M21 VanDerWaalsContact C-N 3.32Å; V19-M21 PolarHBondContact O-N 3.09Å; V19-S23 PolarHBondContact O-OG 2.76Å |
| 20 | M | 48.3 | Very low | 45.3 | Very low | 147 Ų | 147 | 103.9 Ų | 103.9 | 72% | 0.724 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.2 | -35.7 | 172.6 | -75.4 | -73.9 | -157.1 | 0 | 0 | 112.4 | V16 R17 | V16-M20 HydrophobicContact CG1-CG 4.25Å; V16-M20 VanDerWaalsContact O-CB 3.25Å; V16-M20 WeakPolarHBondContact O-CB 3.43Å; V16-M20 WeakPolarHBondContact O-CG 3.18Å; V16-M20 PolarHBondContact O-N 2.82Å; R17-M20 PolarHBondContact O-N 3.1Å |
| 21 | M | 49 | Very low | 45.8 | Very low | 123 Ų | 123 | 105.1 Ų | 105.1 | 61% | 0.606 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -73.2 | -40.7 | 177.3 | -76.3 | 173.1 | 151.7 | 0 | 0 | 112.5 | R17 L18 V19 S23 | R17-M21 WeakPolarHBondContact O-CG 3.16Å; R17-M21 PolarHBondContact O-N 3.37Å; L18-M21 PolarHBondContact O-N 2.83Å; V19-M21 VanDerWaalsContact C-N 3.32Å; V19-M21 PolarHBondContact O-N 3.09Å; M21-S23 PolarHBondContact O-N 2.85Å |
| 22 | A | 50.7 | Low | 46.7 | Very low | 86 Ų | 86 | 105.5 Ų | 105.5 | 71% | 0.711 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 9.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L18 | L18-A22 WeakPolarHBondContact O-CB 3.39Å; L18-A22 PolarHBondContact O-N 3.07Å |
| 23 | S | 52.4 | Low | 47.5 | Very low | 82 Ų | 82 | 108.3 Ų | 108.3 | 57% | 0.573 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 10.1 | -164.3 | -70.2 | 0 | 0 | 0 | 0 | 116.1 | V19 M21 | V19-S23 PolarHBondContact O-OG 2.76Å; M21-S23 PolarHBondContact O-N 2.85Å |
| 24 | N | 43.7 | Very low | 48.3 | Very low | 148 Ų | 148 | 109.1 Ų | 109.1 | 79% | 0.791 | 61% | 0.612 | S | S | * | * | trans | -146.5 | 76.9 | -174.8 | -152.9 | 18.2 | 0 | 0 | 0 | 115.8 | L26 | N24-L26 PolarHBondContact O-N 3.24Š| ||
| 25 | P | 40.7 | Very low | 49.4 | Very low | 124 Ų | 124 | 110.9 Ų | 110.9 | 81% | 0.805 | 62% | 0.617 | S | S | * | * | trans | -90.3 | 86.1 | -174 | 34.9 | -34.1 | 0 | 0 | 0 | 113.3 | ||||
| 26 | L | 42.8 | Very low | 50.7 | Low | 153 Ų | 153 | 115.5 Ų | 115.5 | 80% | 0.801 | 63% | 0.625 | S | S | * | * | trans | -158.4 | 48.1 | 179.3 | -122.8 | 172.3 | 0 | 0 | 0 | 119.1 | N24 | N24-L26 PolarHBondContact O-N 3.24Š| ||
| 27 | R | 41.9 | Very low | 51.6 | Low | 200 Ų | 200 | 115.7 Ų | 115.7 | 76% | 0.755 | 62% | 0.623 | S | S | * | * | trans | 173.2 | 128.9 | 144.4 | -102.4 | 167.9 | -178.8 | -174.9 | 0.4 | 113.3 | S29 | R27-S29 PolarHBondContact O-N 3.08Š| ||
| 28 | P | 38.9 | Very low | 52.5 | Low | 100 Ų | 100 | 109.1 Ų | 109.1 | 65% | 0.649 | 61% | 0.606 | S | S | * | * | trans | -86.8 | 86.4 | 170 | 33.9 | -32.5 | 0 | 0 | 0 | 110.9 | E32 | P28-E32 HydrophobicContact CB-CG 4.35Å; P28-E32 WeakPolarHBondContact CB-OE1 3.49Å | ||
| 29 | S | 48.2 | Very low | 53.7 | Low | 66 Ų | 66 | 109.8 Ų | 109.8 | 46% | 0.462 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -155.3 | 103.7 | 178.1 | 54.6 | 0 | 0 | 0 | 0 | 112.4 | R27 D31 | R27-S29 PolarHBondContact O-N 3.08Å; S29-D31 PolarHBondContact O-N 3.1Å |
| 30 | A | 54.1 | Low | 54.7 | Low | 86 Ų | 86 | 111.6 Ų | 111.6 | 71% | 0.711 | 61% | 0.608 | S | S | * | * | S | Bend | trans | 61.8 | -40.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E32 M33 A34 | A30-E32 VanDerWaalsContact C-N 3.32Å; A30-E32 PolarHBondContact O-N 2.84Å; A30-M33 PolarHBondContact O-N 3.4Å; A30-A34 PolarHBondContact O-N 3.29Å |
| 31 | D | 59.7 | Low | 55.5 | Low | 100 Ų | 100 | 109.8 Ų | 109.8 | 54% | 0.535 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -54.3 | -42.4 | 179.3 | -62.7 | -40.8 | 0 | 0 | 0 | 112.4 | S29 M33 A34 E35 | S29-D31 PolarHBondContact O-N 3.1Å; D31-M33 PolarHBondContact O-N 3.5Å; D31-A34 CarbonylContact O-C 3.54Å; D31-A34 PolarHBondContact O-N 3.13Å; D31-A34 VanDerWaalsContact O-N 3.12Å; D31-E35 VanDerWaalsContact O-CB 3.24Å; D31-E35 WeakPolarHBondContact O-CB 3.49Å; D31-E35 PolarHBondContact O-N 2.66Å |
| 32 | E | 60.7 | Low | 56.3 | Low | 84 Ų | 84 | 107.5 Ų | 107.5 | 39% | 0.393 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -55.1 | -34.5 | 175.2 | -96.6 | -162.7 | -130 | 0 | 0 | 114.1 | P28 A30 R36 | P28-E32 HydrophobicContact CB-CG 4.35Å; P28-E32 WeakPolarHBondContact CB-OE1 3.49Å; A30-E32 VanDerWaalsContact C-N 3.32Å; A30-E32 PolarHBondContact O-N 2.84Å; E32-R36 WeakPolarHBondContact O-CD 3.2Å; E32-R36 WeakPolarHBondContact O-CG 3.43Å; E32-R36 PolarHBondContact O-N 3.41Å; E32-R36 VanDerWaalsContact O-N 3.13Å; E32-R36 IonicContact OE2-CZ 2.67Å; E32-R36 IonicContact OE2-NE 2.76Å; E32-R36 IonicContact OE2-NH2 3.16Å; E32-R36 PolarHBondContact OE2-NH2 2.97Å |
| 33 | M | 58.6 | Low | 57.3 | Low | 135 Ų | 135 | 106.4 Ų | 106.4 | 67% | 0.665 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -82 | -36.4 | 179.2 | -168.6 | 171.2 | -173.9 | 0 | 0 | 110.9 | A30 D31 E35 I37 | A30-M33 PolarHBondContact O-N 3.4Å; D31-M33 PolarHBondContact O-N 3.5Å; M33-E35 VanDerWaalsContact C-N 3.3Å; M33-I37 HydrophobicContact CE-CD1 4.4Å; M33-I37 HydrophobicContact CG-CD1 4.05Å; M33-I37 WeakPolarHBondContact O-CB 3.42Å; M33-I37 WeakPolarHBondContact O-CD1 3.22Å; M33-I37 WeakPolarHBondContact O-CG1 3.38Å; M33-I37 PolarHBondContact O-N 3.13Å |
| 34 | A | 58.6 | Low | 58 | Low | 62 Ų | 62 | 103.6 Ų | 103.6 | 51% | 0.512 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.7 | -36.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | A30 D31 A38 | A30-A34 PolarHBondContact O-N 3.29Å; D31-A34 CarbonylContact O-C 3.54Å; D31-A34 PolarHBondContact O-N 3.13Å; D31-A34 VanDerWaalsContact O-N 3.12Å; A34-A38 VanDerWaalsContact O-CB 3.26Å; A34-A38 WeakPolarHBondContact O-CB 3.28Å; A34-A38 PolarHBondContact O-N 2.82Å |
| 35 | E | 65.6 | Low | 59.1 | Low | 114 Ų | 114 | 99 Ų | 99 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.1 | -50.8 | 177.3 | -174.1 | 167 | -137.4 | 0 | 0 | 111.1 | D31 M33 I37 A38 E39 | D31-E35 VanDerWaalsContact O-CB 3.24Å; D31-E35 WeakPolarHBondContact O-CB 3.49Å; D31-E35 PolarHBondContact O-N 2.66Å; M33-E35 VanDerWaalsContact C-N 3.3Å; E35-I37 VanDerWaalsContact C-N 3.35Å; E35-I37 PolarHBondContact O-N 3.13Å; E35-A38 CarbonylContact O-C 3.59Å; E35-A38 WeakPolarHBondContact O-CA 3.37Å; E35-A38 WeakPolarHBondContact O-CB 3.31Å; E35-A38 PolarHBondContact O-N 3.1Å; E35-E39 WeakPolarHBondContact O-CG 3.37Å; E35-E39 PolarHBondContact O-N 2.73Å |
| 36 | R | 67 | Low | 60.6 | Low | 143 Ų | 143 | 98.3 Ų | 98.3 | 54% | 0.54 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -57.4 | -45 | 174 | -68.4 | 165.8 | -159.3 | -120.8 | 9.6 | 112.2 | E32 A38 E39 E40 | E32-R36 WeakPolarHBondContact O-CD 3.2Å; E32-R36 WeakPolarHBondContact O-CG 3.43Å; E32-R36 PolarHBondContact O-N 3.41Å; E32-R36 VanDerWaalsContact O-N 3.13Å; E32-R36 IonicContact OE2-CZ 2.67Å; E32-R36 IonicContact OE2-NE 2.76Å; E32-R36 IonicContact OE2-NH2 3.16Å; E32-R36 PolarHBondContact OE2-NH2 2.97Å; R36-A38 VanDerWaalsContact C-N 3.28Å; R36-A38 PolarHBondContact O-N 3.48Å; R36-E39 PolarHBondContact O-N 3.15Å; R36-E40 WeakPolarHBondContact O-CB 3.37Å; R36-E40 WeakPolarHBondContact O-CG 3.43Å; R36-E40 PolarHBondContact O-N 3.21Å |
| 37 | I | 64.8 | Low | 62.2 | Low | 91 Ų | 91 | 94.9 Ų | 94.9 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.6 | -34.8 | 175.8 | -69.1 | 168.1 | 0 | 0 | 0 | 111.1 | M33 E35 K41 | M33-I37 HydrophobicContact CE-CD1 4.4Å; M33-I37 HydrophobicContact CG-CD1 4.05Å; M33-I37 WeakPolarHBondContact O-CB 3.42Å; M33-I37 WeakPolarHBondContact O-CD1 3.22Å; M33-I37 WeakPolarHBondContact O-CG1 3.38Å; M33-I37 PolarHBondContact O-N 3.13Å; E35-I37 VanDerWaalsContact C-N 3.35Å; E35-I37 PolarHBondContact O-N 3.13Å; I37-K41 WeakPolarHBondContact O-CB 3.43Å; I37-K41 PolarHBondContact O-N 2.98Å |
| 38 | A | 62.8 | Low | 63.6 | Low | 39 Ų | 39 | 85.4 Ų | 85.4 | 32% | 0.322 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.9 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A34 E35 R36 K41 I42 | A34-A38 VanDerWaalsContact O-CB 3.26Å; A34-A38 WeakPolarHBondContact O-CB 3.28Å; A34-A38 PolarHBondContact O-N 2.82Å; E35-A38 CarbonylContact O-C 3.59Å; E35-A38 WeakPolarHBondContact O-CA 3.37Å; E35-A38 WeakPolarHBondContact O-CB 3.31Å; E35-A38 PolarHBondContact O-N 3.1Å; R36-A38 VanDerWaalsContact C-N 3.28Å; R36-A38 PolarHBondContact O-N 3.48Å; A38-K41 PolarHBondContact O-N 2.9Å; A38-I42 WeakPolarHBondContact O-CB 3.35Å; A38-I42 WeakPolarHBondContact O-CD1 3.35Å; A38-I42 WeakPolarHBondContact O-CG1 3.43Å; A38-I42 PolarHBondContact O-N 3.03Å |
| 39 | E | 70.1 | Confident | 65.1 | Low | 124 Ų | 124 | 83.1 Ų | 83.1 | 58% | 0.579 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -62.8 | -47.2 | 174.9 | -71.4 | -169.1 | 133 | 0 | 0 | 111.9 | E35 R36 K41 I42 S43 | E35-E39 WeakPolarHBondContact O-CG 3.37Å; E35-E39 PolarHBondContact O-N 2.73Å; R36-E39 PolarHBondContact O-N 3.15Å; E39-K41 VanDerWaalsContact C-N 3.32Å; E39-K41 PolarHBondContact O-N 3.4Å; E39-I42 PolarHBondContact O-N 2.97Å; E39-S43 WeakPolarHBondContact O-CB 3.42Å; E39-S43 PolarHBondContact O-N 2.84Å |
| 40 | E | 69.6 | Low | 66.5 | Low | 137 Ų | 137 | 83.3 Ų | 83.3 | 64% | 0.64 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -58.8 | -44.4 | 174.7 | -73.9 | 175.9 | 167.4 | 0 | 0 | 110.9 | R36 S43 A44 | R36-E40 WeakPolarHBondContact O-CB 3.37Å; R36-E40 WeakPolarHBondContact O-CG 3.43Å; R36-E40 PolarHBondContact O-N 3.21Å; E40-S43 WeakPolarHBondContact O-CB 3.24Å; E40-S43 PolarHBondContact O-N 2.9Å; E40-A44 WeakPolarHBondContact O-CB 3.34Å; E40-A44 PolarHBondContact O-N 3.12Å |
| 41 | K | 65.5 | Low | 67.5 | Low | 109 Ų | 109 | 83.1 Ų | 83.1 | 47% | 0.474 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 175.8 | -173.9 | 165.5 | -173.7 | 159.4 | 0 | 112.8 | I37 A38 E39 A44 L45 | I37-K41 WeakPolarHBondContact O-CB 3.43Å; I37-K41 PolarHBondContact O-N 2.98Å; A38-K41 PolarHBondContact O-N 2.9Å; E39-K41 VanDerWaalsContact C-N 3.32Å; E39-K41 PolarHBondContact O-N 3.4Å; K41-A44 PolarHBondContact O-N 3.24Å; K41-L45 HydrophobicContact CG-CD1 4.06Å; K41-L45 VanDerWaalsContact O-CB 3.28Å; K41-L45 WeakPolarHBondContact O-CB 3.13Å; K41-L45 WeakPolarHBondContact O-CD1 3.28Å; K41-L45 WeakPolarHBondContact O-CG 3.28Å; K41-L45 PolarHBondContact O-N 2.84Å |
| 42 | I | 67.1 | Low | 68.3 | Low | 75 Ų | 75 | 78.8 Ų | 78.8 | 39% | 0.385 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 174.7 | -73.5 | 163.1 | 0 | 0 | 0 | 110.4 | A38 E39 L45 H46 | A38-I42 WeakPolarHBondContact O-CB 3.35Å; A38-I42 WeakPolarHBondContact O-CD1 3.35Å; A38-I42 WeakPolarHBondContact O-CG1 3.43Å; A38-I42 PolarHBondContact O-N 3.03Å; E39-I42 PolarHBondContact O-N 2.97Å; I42-L45 PolarHBondContact O-N 3.19Å; I42-H46 VanDerWaalsContact O-CB 3.3Å; I42-H46 WeakPolarHBondContact O-CB 3.47Å; I42-H46 PolarHBondContact O-N 3.47Å |
| 43 | S | 71.2 | Confident | 69.2 | Low | 62 Ų | 62 | 79.2 Ų | 79.2 | 43% | 0.434 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 174.9 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | E39 E40 H46 Q47 | E39-S43 WeakPolarHBondContact O-CB 3.42Å; E39-S43 PolarHBondContact O-N 2.84Å; E40-S43 WeakPolarHBondContact O-CB 3.24Å; E40-S43 PolarHBondContact O-N 2.9Å; S43-H46 PolarHBondContact O-N 3.05Å; S43-Q47 WeakPolarHBondContact O-CG 3.25Å; S43-Q47 PolarHBondContact O-N 3.4Å |
| 44 | A | 66.6 | Low | 70.2 | Confident | 23 Ų | 23 | 78.1 Ų | 78.1 | 19% | 0.19 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E40 K41 H46 Q47 V48 F157 | E40-A44 WeakPolarHBondContact O-CB 3.34Å; E40-A44 PolarHBondContact O-N 3.12Å; K41-A44 PolarHBondContact O-N 3.24Å; A44-H46 VanDerWaalsContact C-N 3.32Å; A44-H46 PolarHBondContact O-N 3.08Å; A44-Q47 PolarHBondContact O-N 3.23Å; A44-V48 PolarHBondContact O-N 3.45Å; A44-V48 VanDerWaalsContact O-N 3.07Å; A44-F157 HydrophobicContact CB-CE1 4.35Å |
| 45 | L | 67.8 | Low | 71.3 | Confident | 51 Ų | 51 | 77.5 Ų | 77.5 | 27% | 0.267 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.3 | -44.6 | 174.4 | -80 | 162.5 | 0 | 0 | 0 | 111.7 | K41 I42 V48 D49 L161 K165 | K41-L45 HydrophobicContact CG-CD1 4.06Å; K41-L45 VanDerWaalsContact O-CB 3.28Å; K41-L45 WeakPolarHBondContact O-CB 3.13Å; K41-L45 WeakPolarHBondContact O-CD1 3.28Å; K41-L45 WeakPolarHBondContact O-CG 3.28Å; K41-L45 PolarHBondContact O-N 2.84Å; I42-L45 PolarHBondContact O-N 3.19Å; L45-V48 PolarHBondContact O-N 3.18Å; L45-D49 PolarHBondContact O-N 3.4Å; L45-D49 VanDerWaalsContact O-OD2 3.06Å; L45-L161 HydrophobicContact CD2-CD1 3.83Å; L45-L161 HydrophobicContact CD2-CD2 3.8Å; L45-L161 HydrophobicContact CD2-CG 4.38Å; L45-L161 HydrophobicContact CG-CD2 4.41Å; L45-K165 PolarHBondContact O-NZ 2.78Å |
| 46 | H | 72.1 | Confident | 72.1 | Confident | 110 Ų | 110 | 72.8 Ų | 72.8 | 51% | 0.509 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.7 | -35.7 | 179.3 | -176.5 | -82.8 | 0 | 0 | 0 | 112.7 | I42 S43 A44 D49 T50 | I42-H46 VanDerWaalsContact O-CB 3.3Å; I42-H46 WeakPolarHBondContact O-CB 3.47Å; I42-H46 PolarHBondContact O-N 3.47Å; S43-H46 PolarHBondContact O-N 3.05Å; A44-H46 VanDerWaalsContact C-N 3.32Å; A44-H46 PolarHBondContact O-N 3.08Å; H46-D49 PolarHBondContact O-N 2.98Å; H46-T50 WeakPolarHBondContact O-CB 3.48Å; H46-T50 PolarHBondContact O-N 3.36Å; H46-T50 PolarHBondContact O-OG1 3.47Å |
| 47 | Q | 75.4 | Confident | 72.9 | Confident | 82 Ų | 82 | 69 Ų | 69 | 38% | 0.383 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 170.9 | -74.9 | -178.3 | 31.5 | 0 | 0 | 110.9 | S43 A44 T50 M51 | S43-Q47 WeakPolarHBondContact O-CG 3.25Å; S43-Q47 PolarHBondContact O-N 3.4Å; A44-Q47 PolarHBondContact O-N 3.23Å; Q47-T50 PolarHBondContact O-N 3.42Å; Q47-M51 VanDerWaalsContact O-CG 3.32Å; Q47-M51 WeakPolarHBondContact O-CG 3.25Å; Q47-M51 PolarHBondContact O-N 3.44Å |
| 48 | V | 71.2 | Confident | 73.9 | Confident | 1 Ų | 1 | 69.1 Ų | 69.1 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 178.6 | 178 | 0 | 0 | 0 | 0 | 111.9 | A44 L45 T50 M51 N52 L161 L162 K165 | A44-V48 PolarHBondContact O-N 3.45Å; A44-V48 VanDerWaalsContact O-N 3.07Å; L45-V48 PolarHBondContact O-N 3.18Å; V48-T50 VanDerWaalsContact C-N 3.34Å; V48-T50 PolarHBondContact O-N 3.27Å; V48-M51 PolarHBondContact O-N 2.86Å; V48-N52 PolarHBondContact O-N 3.21Å; V48-L161 HydrophobicContact CB-CD2 4.16Å; V48-L161 HydrophobicContact CB-CG 4.4Å; V48-L161 HydrophobicContact CG1-CD2 4.42Å; V48-L161 HydrophobicContact CG1-CG 4.12Å; V48-L161 HydrophobicContact CG2-CD2 3.96Å; V48-L161 HydrophobicContact CG2-CG 4.44Å; V48-L162 HydrophobicContact CG1-CB 4.21Å; V48-L162 HydrophobicContact CG1-CD1 3.93Å; V48-K165 HydrophobicContact CG1-CD 4.07Å |
| 49 | D | 71.2 | Confident | 75 | Confident | 52 Ų | 52 | 67.5 Ų | 67.5 | 28% | 0.278 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.3 | -46.2 | 170.6 | -72.2 | -38.7 | 0 | 0 | 0 | 111.5 | L45 H46 M51 N52 L53 K165 | L45-D49 PolarHBondContact O-N 3.4Å; L45-D49 VanDerWaalsContact O-OD2 3.06Å; H46-D49 PolarHBondContact O-N 2.98Å; D49-M51 VanDerWaalsContact C-N 3.35Å; D49-M51 PolarHBondContact O-N 2.92Å; D49-N52 PolarHBondContact O-N 3.3Å; D49-L53 WeakPolarHBondContact O-CB 3.48Å; D49-L53 VanDerWaalsContact O-CG 3.28Å; D49-L53 WeakPolarHBondContact O-CG 3.38Å; D49-L53 PolarHBondContact O-N 3.46Å; D49-K165 WeakPolarHBondContact OD1-CD 3.49Å; D49-K165 WeakPolarHBondContact OD1-CE 3.29Å; D49-K165 IonicContact OD1-NZ 3.25Å; D49-K165 PolarHBondContact OD1-NZ 3.45Å; D49-K165 IonicContact OD2-NZ 3.68Å; D49-K165 PolarHBondContact OD2-NZ 2.84Å |
| 50 | T | 77.9 | Confident | 75.7 | Confident | 70 Ų | 70 | 62.3 Ų | 62.3 | 43% | 0.429 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.2 | -39.7 | 179.4 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | H46 Q47 V48 M54 | H46-T50 WeakPolarHBondContact O-CB 3.48Å; H46-T50 PolarHBondContact O-N 3.36Å; H46-T50 PolarHBondContact O-OG1 3.47Å; Q47-T50 PolarHBondContact O-N 3.42Å; V48-T50 VanDerWaalsContact C-N 3.34Å; V48-T50 PolarHBondContact O-N 3.27Å; T50-M54 VanDerWaalsContact O-CB 3.28Å; T50-M54 WeakPolarHBondContact O-CB 3.28Å; T50-M54 PolarHBondContact O-N 2.87Å |
| 51 | M | 75.1 | Confident | 76.6 | Confident | 82 Ų | 82 | 60 Ų | 60 | 40% | 0.404 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 175.3 | -72.8 | 174.3 | 66.3 | 0 | 0 | 112 | Q47 V48 D49 M54 L55 L162 | Q47-M51 VanDerWaalsContact O-CG 3.32Å; Q47-M51 WeakPolarHBondContact O-CG 3.25Å; Q47-M51 PolarHBondContact O-N 3.44Å; V48-M51 PolarHBondContact O-N 2.86Å; D49-M51 VanDerWaalsContact C-N 3.35Å; D49-M51 PolarHBondContact O-N 2.92Å; M51-M54 PolarHBondContact O-N 2.9Å; M51-L55 WeakPolarHBondContact O-CB 3.38Å; M51-L55 PolarHBondContact O-N 3.28Å; M51-L162 HydrophobicContact CB-CD1 4.44Å |
| 52 | N | 75.9 | Confident | 77.6 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 4% | 0.043 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.3 | -44 | 176.1 | -86.8 | -19.4 | 0 | 0 | 0 | 112.1 | V48 D49 M54 L55 Y56 L162 K165 | V48-N52 PolarHBondContact O-N 3.21Å; D49-N52 PolarHBondContact O-N 3.3Å; N52-M54 VanDerWaalsContact C-N 3.32Å; N52-M54 PolarHBondContact O-N 3.32Å; N52-L55 WeakPolarHBondContact O-CB 3.46Å; N52-L55 PolarHBondContact O-N 3.13Å; N52-Y56 HydrophobicContact CB-CE2 4.43Å; N52-Y56 WeakPolarHBondContact O-CD2 3.37Å; N52-Y56 PolarHBondContact O-N 3.16Å; N52-L162 WeakPolarHBondContact OD1-CD1 3.5Å; N52-K165 WeakPolarHBondContact ND2-CB 3.12Å |
| 53 | L | 79.6 | Confident | 78.3 | Confident | 93 Ų | 93 | 55.4 Ų | 55.4 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.4 | -40.7 | 174.6 | -73.2 | 169.7 | 0 | 0 | 0 | 111.9 | D49 T57 | D49-L53 WeakPolarHBondContact O-CB 3.48Å; D49-L53 VanDerWaalsContact O-CG 3.28Å; D49-L53 WeakPolarHBondContact O-CG 3.38Å; D49-L53 PolarHBondContact O-N 3.46Å; L53-T57 VanDerWaalsContact O-CB 3.25Å; L53-T57 WeakPolarHBondContact O-CB 2.99Å; L53-T57 PolarHBondContact O-N 2.79Å; L53-T57 PolarHBondContact O-OG1 2.69Å |
| 54 | M | 79.8 | Confident | 79 | Confident | 112 Ų | 112 | 55.1 Ų | 55.1 | 55% | 0.552 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -62.9 | -45.8 | 173.8 | -178.8 | 179.4 | 67.8 | 0 | 0 | 111.4 | T50 M51 N52 T57 L58 | T50-M54 VanDerWaalsContact O-CB 3.28Å; T50-M54 WeakPolarHBondContact O-CB 3.28Å; T50-M54 PolarHBondContact O-N 2.87Å; M51-M54 PolarHBondContact O-N 2.9Å; N52-M54 VanDerWaalsContact C-N 3.32Å; N52-M54 PolarHBondContact O-N 3.32Å; M54-T57 PolarHBondContact O-N 3.24Å; M54-L58 HydrophobicContact CG-CD1 3.93Å; M54-L58 HydrophobicContact CG-CG 4.39Å; M54-L58 WeakPolarHBondContact O-CB 3.4Å; M54-L58 WeakPolarHBondContact O-CG 3.35Å; M54-L58 PolarHBondContact O-N 3.01Å |
| 55 | L | 81.3 | Confident | 79.9 | Confident | 50 Ų | 50 | 58.1 Ų | 58.1 | 26% | 0.262 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.5 | -53.3 | 178.1 | 179.7 | 63.1 | 0 | 0 | 0 | 111.7 | M51 N52 T57 L58 L59 V91 I95 | M51-L55 WeakPolarHBondContact O-CB 3.38Å; M51-L55 PolarHBondContact O-N 3.28Å; N52-L55 WeakPolarHBondContact O-CB 3.46Å; N52-L55 PolarHBondContact O-N 3.13Å; L55-T57 VanDerWaalsContact C-N 3.3Å; L55-T57 PolarHBondContact O-N 3.14Å; L55-L58 PolarHBondContact O-N 3.08Å; L55-L59 VanDerWaalsContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CB 3.47Å; L55-L59 PolarHBondContact O-N 2.81Å; L55-V91 HydrophobicContact CD1-CG1 3.93Å; L55-V91 HydrophobicContact CD2-CG1 3.92Å; L55-V91 HydrophobicContact CG-CG1 4.16Å; L55-I95 HydrophobicContact CD2-CD1 3.98Å |
| 56 | Y | 82.5 | Confident | 80.7 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 6% | 0.059 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.6 | -34.8 | 178.1 | -69.1 | -64.8 | 0 | 0 | 0 | 112.3 | N52 L59 M60 A166 F409 T412 Y413 V416 | N52-Y56 HydrophobicContact CB-CE2 4.43Å; N52-Y56 WeakPolarHBondContact O-CD2 3.37Å; N52-Y56 PolarHBondContact O-N 3.16Å; Y56-L59 PolarHBondContact O-N 3.16Å; Y56-M60 WeakPolarHBondContact O-CB 3.23Å; Y56-M60 VanDerWaalsContact O-CG 3.29Å; Y56-M60 WeakPolarHBondContact O-CG 3.39Å; Y56-M60 PolarHBondContact O-N 2.87Å; Y56-A166 PolarHBondContact OH-O 3.44Å; Y56-F409 HydrophobicContact CD1-CE2 4.45Å; Y56-F409 HydrophobicContact CG-CE2 4.13Å; Y56-F409 HydrophobicContact CG-CZ 4.47Å; Y56-T412 HydrophobicContact CD1-CG2 4.45Å; Y56-Y413 HydrophobicContact CE1-CD2 4.04Å; Y56-Y413 AromaticContact CZ-CD2 3.83Å; Y56-Y413 AromaticContact CZ-CE2 4Å; Y56-Y413 WeakPolarHBondContact OH-CD2 3.49Å; Y56-Y413 WeakPolarHBondContact OH-CE2 3.42Å; Y56-V416 HydrophobicContact CE1-CB 4.33Å; Y56-V416 HydrophobicContact CE1-CG2 4.04Å |
| 57 | T | 84.4 | Confident | 81 | Confident | 63 Ų | 63 | 51.8 Ų | 51.8 | 39% | 0.387 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.7 | -46.7 | 177.1 | -59.7 | 0 | 0 | 0 | 0 | 111.7 | L53 M54 L55 L59 M60 I61 | L53-T57 VanDerWaalsContact O-CB 3.25Å; L53-T57 WeakPolarHBondContact O-CB 2.99Å; L53-T57 PolarHBondContact O-N 2.79Å; L53-T57 PolarHBondContact O-OG1 2.69Å; M54-T57 PolarHBondContact O-N 3.24Å; L55-T57 VanDerWaalsContact C-N 3.3Å; L55-T57 PolarHBondContact O-N 3.14Å; T57-L59 VanDerWaalsContact C-N 3.31Å; T57-L59 PolarHBondContact O-N 2.94Å; T57-M60 PolarHBondContact O-N 2.97Å; T57-I61 HydrophobicContact CG2-CD1 4.21Å; T57-I61 WeakPolarHBondContact O-CG1 3.26Å; T57-I61 PolarHBondContact O-N 2.88Å |
| 58 | L | 85.5 | Confident | 81.3 | Confident | 93 Ų | 93 | 55.5 Ų | 55.5 | 49% | 0.487 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 174.8 | -70.9 | 171.2 | 0 | 0 | 0 | 111.3 | M54 L55 I61 L62 | M54-L58 HydrophobicContact CG-CD1 3.93Å; M54-L58 HydrophobicContact CG-CG 4.39Å; M54-L58 WeakPolarHBondContact O-CB 3.4Å; M54-L58 WeakPolarHBondContact O-CG 3.35Å; M54-L58 PolarHBondContact O-N 3.01Å; L55-L58 PolarHBondContact O-N 3.08Å; L58-I61 PolarHBondContact O-N 3.5Å; L58-L62 WeakPolarHBondContact O-CG 3.4Å; L58-L62 PolarHBondContact O-N 2.65Å |
| 59 | L | 85.1 | Confident | 81.9 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.6 | -38.8 | 177.9 | -161.7 | 52.2 | 0 | 0 | 0 | 111.9 | L55 Y56 T57 L62 T63 Y87 V91 T412 V416 | L55-L59 VanDerWaalsContact O-CB 3.3Å; L55-L59 WeakPolarHBondContact O-CB 3.47Å; L55-L59 PolarHBondContact O-N 2.81Å; Y56-L59 PolarHBondContact O-N 3.16Å; T57-L59 VanDerWaalsContact C-N 3.31Å; T57-L59 PolarHBondContact O-N 2.94Å; L59-L62 PolarHBondContact O-N 3.36Å; L59-T63 WeakPolarHBondContact O-CG2 3.44Å; L59-T63 PolarHBondContact O-N 3.01Å; L59-T63 PolarHBondContact O-OG1 2.99Å; L59-Y87 HydrophobicContact CD1-CD1 4.15Å; L59-Y87 HydrophobicContact CD1-CG 4.31Å; L59-V91 HydrophobicContact CD1-CG2 3.68Å; L59-V91 HydrophobicContact CD2-CB 3.9Å; L59-V91 HydrophobicContact CD2-CG1 4.12Å; L59-V91 HydrophobicContact CD2-CG2 3.77Å; L59-V91 HydrophobicContact CG-CG2 4.39Å; L59-T412 HydrophobicContact CD2-CG2 3.35Å; L59-T412 HydrophobicContact CG-CG2 3.8Å; L59-V416 HydrophobicContact CD2-CG2 4.45Å |
| 60 | M | 85.2 | Confident | 82.2 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 7% | 0.074 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -66.4 | -34.1 | 171.7 | -75.5 | -64.1 | 102.9 | 0 | 0 | 113.6 | Y56 T57 T63 V64 N408 F409 T412 | Y56-M60 WeakPolarHBondContact O-CB 3.23Å; Y56-M60 VanDerWaalsContact O-CG 3.29Å; Y56-M60 WeakPolarHBondContact O-CG 3.39Å; Y56-M60 PolarHBondContact O-N 2.87Å; T57-M60 PolarHBondContact O-N 2.97Å; M60-T63 WeakPolarHBondContact CA-OG1 3.25Å; M60-T63 HydrophobicContact CE-CG2 4.27Å; M60-T63 PolarHBondContact O-OG1 2.77Å; M60-V64 WeakPolarHBondContact O-CB 3.27Å; M60-V64 VanDerWaalsContact O-CG2 3.29Å; M60-V64 WeakPolarHBondContact O-CG2 3.24Å; M60-V64 PolarHBondContact O-N 2.76Å; M60-N408 WeakPolarHBondContact CE-O 3.17Å; M60-N408 HydrophobicContact SD-CB 4.04Å; M60-F409 HydrophobicContact CG-CD2 4.33Å; M60-F409 HydrophobicContact SD-CB 4.18Å; M60-T412 VanDerWaalsContact CE-CB 3.48Å; M60-T412 HydrophobicContact CE-CG2 3.84Å; M60-T412 WeakPolarHBondContact CE-OG1 3.28Å |
| 61 | I | 87.7 | Confident | 81.9 | Confident | 89 Ų | 89 | 61.4 Ų | 61.4 | 46% | 0.456 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 172.6 | -69.5 | 163.2 | 0 | 0 | 0 | 109.9 | T57 L58 V64 L65 | T57-I61 HydrophobicContact CG2-CD1 4.21Å; T57-I61 WeakPolarHBondContact O-CG1 3.26Å; T57-I61 PolarHBondContact O-N 2.88Å; L58-I61 PolarHBondContact O-N 3.5Å; I61-V64 PolarHBondContact O-N 3.15Å; I61-L65 HydrophobicContact CG2-CD1 3.82Å; I61-L65 HydrophobicContact CG2-CG 4.43Å; I61-L65 WeakPolarHBondContact O-CB 3.46Å; I61-L65 VanDerWaalsContact O-CG 3.24Å; I61-L65 WeakPolarHBondContact O-CG 3.4Å; I61-L65 PolarHBondContact O-N 3.5Å |
| 62 | L | 87.2 | Confident | 82.1 | Confident | 86 Ų | 86 | 66.1 Ų | 66.1 | 45% | 0.45 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.5 | -41 | 177.5 | -69.2 | 171.3 | 0 | 0 | 0 | 112.9 | L58 L59 T66 | L58-L62 WeakPolarHBondContact O-CG 3.4Å; L58-L62 PolarHBondContact O-N 2.65Å; L59-L62 PolarHBondContact O-N 3.36Å; L62-T66 WeakPolarHBondContact O-CG2 3.43Å; L62-T66 PolarHBondContact O-N 3.46Å; L62-T66 PolarHBondContact O-OG1 2.87Å |
| 63 | T | 82.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 74.3 Ų | 74.3 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.7 | -46 | 176.1 | 55.6 | 0 | 0 | 0 | 0 | 111.8 | L59 M60 L65 T66 V67 T84 Y87 | L59-T63 WeakPolarHBondContact O-CG2 3.44Å; L59-T63 PolarHBondContact O-N 3.01Å; L59-T63 PolarHBondContact O-OG1 2.99Å; M60-T63 WeakPolarHBondContact CA-OG1 3.25Å; M60-T63 HydrophobicContact CE-CG2 4.27Å; M60-T63 PolarHBondContact O-OG1 2.77Å; T63-L65 VanDerWaalsContact C-N 3.35Å; T63-L65 PolarHBondContact O-N 3.47Å; T63-T66 WeakPolarHBondContact CA-OG1 3.32Å; T63-T66 PolarHBondContact O-N 3.31Å; T63-T66 PolarHBondContact O-OG1 2.86Å; T63-V67 WeakPolarHBondContact O-CB 3.17Å; T63-V67 VanDerWaalsContact O-CG2 3.25Å; T63-V67 WeakPolarHBondContact O-CG2 3.05Å; T63-V67 PolarHBondContact O-N 2.79Å; T63-T84 HydrophobicContact CG2-CG2 3.52Å; T63-Y87 HydrophobicContact CG2-CD2 3.89Å; T63-Y87 HydrophobicContact CG2-CG 4.19Å |
| 64 | V | 84.4 | Confident | 81.6 | Confident | 56 Ų | 56 | 79.9 Ų | 79.9 | 34% | 0.339 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 177.6 | 172.6 | 0 | 0 | 0 | 0 | 111.6 | M60 I61 W68 F404 | M60-V64 WeakPolarHBondContact O-CB 3.27Å; M60-V64 VanDerWaalsContact O-CG2 3.29Å; M60-V64 WeakPolarHBondContact O-CG2 3.24Å; M60-V64 PolarHBondContact O-N 2.76Å; I61-V64 PolarHBondContact O-N 3.15Å; V64-W68 WeakPolarHBondContact O-CB 3.34Å; V64-W68 PolarHBondContact O-N 3.43Å; V64-F404 HydrophobicContact CG2-CE1 4.04Å; V64-F404 HydrophobicContact CG2-CZ 4.35Å |
| 65 | L | 87.3 | Confident | 80.8 | Confident | 86 Ų | 86 | 78.7 Ų | 78.7 | 45% | 0.45 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.4 | -74.3 | 171.5 | 0 | 0 | 0 | 112.5 | I61 T63 W68 I69 | I61-L65 HydrophobicContact CG2-CD1 3.82Å; I61-L65 HydrophobicContact CG2-CG 4.43Å; I61-L65 WeakPolarHBondContact O-CB 3.46Å; I61-L65 VanDerWaalsContact O-CG 3.24Å; I61-L65 WeakPolarHBondContact O-CG 3.4Å; I61-L65 PolarHBondContact O-N 3.5Å; T63-L65 VanDerWaalsContact C-N 3.35Å; T63-L65 PolarHBondContact O-N 3.47Å; L65-W68 PolarHBondContact O-N 3.1Å; L65-I69 VanDerWaalsContact O-CG1 3.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.04Å; L65-I69 PolarHBondContact O-N 3.42Å |
| 66 | T | 83.5 | Confident | 79.7 | Confident | 20 Ų | 20 | 84.1 Ų | 84.1 | 12% | 0.123 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -71.3 | -38.4 | 178.8 | 49.6 | 0 | 0 | 0 | 0 | 113 | L62 T63 W68 I69 F70 Y87 | L62-T66 WeakPolarHBondContact O-CG2 3.43Å; L62-T66 PolarHBondContact O-N 3.46Å; L62-T66 PolarHBondContact O-OG1 2.87Å; T63-T66 WeakPolarHBondContact CA-OG1 3.32Å; T63-T66 PolarHBondContact O-N 3.31Å; T63-T66 PolarHBondContact O-OG1 2.86Å; T66-W68 VanDerWaalsContact C-N 3.32Å; T66-W68 PolarHBondContact O-N 3.2Å; T66-I69 PolarHBondContact O-N 3.33Å; T66-F70 WeakPolarHBondContact O-CB 3.32Å; T66-F70 WeakPolarHBondContact O-CD1 3.27Å; T66-F70 WeakPolarHBondContact O-CG 3.16Å; T66-F70 PolarHBondContact O-N 2.9Å; T66-Y87 HydrophobicContact CG2-CE2 3.99Å; T66-Y87 WeakPolarHBondContact CG2-OH 3.42Å |
| 67 | V | 77.9 | Confident | 78.6 | Confident | 9 Ų | 9 | 89.5 Ų | 89.5 | 6% | 0.055 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 170.4 | 170.2 | 0 | 0 | 0 | 0 | 111.1 | T63 F70 K71 E80 | T63-V67 WeakPolarHBondContact O-CB 3.17Å; T63-V67 VanDerWaalsContact O-CG2 3.25Å; T63-V67 WeakPolarHBondContact O-CG2 3.05Å; T63-V67 PolarHBondContact O-N 2.79Å; V67-F70 PolarHBondContact O-N 3.47Å; V67-K71 HydrophobicContact CG1-CD 4.07Å; V67-K71 WeakPolarHBondContact O-CB 3.13Å; V67-K71 WeakPolarHBondContact O-CG 2.75Å; V67-K71 PolarHBondContact O-N 2.76Å; V67-E80 HydrophobicContact CB-CB 4.44Å; V67-E80 HydrophobicContact CG1-CB 4.02Å; V67-E80 VanDerWaalsContact CG1-OE2 3.29Å; V67-E80 WeakPolarHBondContact CG1-OE2 3.42Å; V67-E80 HydrophobicContact CG2-CB 3.51Å |
| 68 | W | 82 | Confident | 77.5 | Confident | 160 Ų | 160 | 89.6 Ų | 89.6 | 61% | 0.606 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -62.7 | -45.6 | 173.4 | 175.3 | 74.6 | 0 | 0 | 0 | 112.2 | V64 L65 T66 F70 K71 Y72 | V64-W68 WeakPolarHBondContact O-CB 3.34Å; V64-W68 PolarHBondContact O-N 3.43Å; L65-W68 PolarHBondContact O-N 3.1Å; T66-W68 VanDerWaalsContact C-N 3.32Å; T66-W68 PolarHBondContact O-N 3.2Å; W68-F70 VanDerWaalsContact C-N 3.33Å; W68-F70 PolarHBondContact O-N 2.78Å; W68-K71 PolarHBondContact O-N 3.04Å; W68-Y72 WeakPolarHBondContact O-CB 3.27Å; W68-Y72 PolarHBondContact O-N 2.87Å |
| 69 | I | 83.6 | Confident | 76.6 | Confident | 62 Ų | 62 | 86 Ų | 86 | 32% | 0.318 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 175.5 | -70.5 | 163.1 | 0 | 0 | 0 | 111.4 | L65 T66 Y72 R73 | L65-I69 VanDerWaalsContact O-CG1 3.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.04Å; L65-I69 PolarHBondContact O-N 3.42Å; T66-I69 PolarHBondContact O-N 3.33Å; I69-Y72 PolarHBondContact O-N 3.09Å; I69-R73 HydrophobicContact CG2-CG 4.35Å; I69-R73 VanDerWaalsContact O-CB 3.3Å; I69-R73 WeakPolarHBondContact O-CB 3.47Å; I69-R73 WeakPolarHBondContact O-CG 3.46Å; I69-R73 PolarHBondContact O-N 3.26Å |
| 70 | F | 77 | Confident | 76 | Confident | 60 Ų | 60 | 87.3 Ų | 87.3 | 26% | 0.263 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.2 | -40.8 | 179.3 | -72.5 | 4.5 | 0 | 0 | 0 | 112 | T66 V67 W68 R74 L75 V78 V83 | T66-F70 WeakPolarHBondContact O-CB 3.32Å; T66-F70 WeakPolarHBondContact O-CD1 3.27Å; T66-F70 WeakPolarHBondContact O-CG 3.16Å; T66-F70 PolarHBondContact O-N 2.9Å; V67-F70 PolarHBondContact O-N 3.47Å; W68-F70 VanDerWaalsContact C-N 3.33Å; W68-F70 PolarHBondContact O-N 2.78Å; F70-R74 PolarHBondContact O-N 3.01Å; F70-L75 HydrophobicContact CB-CB 4.4Å; F70-L75 HydrophobicContact CD1-CD1 3.91Å; F70-L75 HydrophobicContact CE1-CD1 4.23Å; F70-L75 HydrophobicContact CG-CD1 4.49Å; F70-L75 PolarHBondContact O-N 2.64Å; F70-V78 HydrophobicContact CD2-CB 4.32Å; F70-V78 HydrophobicContact CE2-CB 4.13Å; F70-V78 HydrophobicContact CE2-CG1 4.38Å; F70-V78 HydrophobicContact CE2-CG2 4.34Å; F70-V83 HydrophobicContact CD2-CG2 4.02Å; F70-V83 HydrophobicContact CE2-CG1 4.47Å; F70-V83 HydrophobicContact CE2-CG2 3.62Å |
| 71 | K | 73.4 | Confident | 75.4 | Confident | 124 Ų | 124 | 86.6 Ų | 86.6 | 54% | 0.539 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 173.4 | -71.8 | 175.8 | -177.5 | 176.8 | 0 | 111.4 | V67 W68 R74 E80 | V67-K71 HydrophobicContact CG1-CD 4.07Å; V67-K71 WeakPolarHBondContact O-CB 3.13Å; V67-K71 WeakPolarHBondContact O-CG 2.75Å; V67-K71 PolarHBondContact O-N 2.76Å; W68-K71 PolarHBondContact O-N 3.04Å; K71-R74 PolarHBondContact O-N 3.02Å; K71-E80 WeakPolarHBondContact CE-OE2 3.16Å; K71-E80 IonicContact NZ-OE1 3.18Å; K71-E80 IonicContact NZ-OE2 2.74Å; K71-E80 PolarHBondContact NZ-OE2 3.12Å |
| 72 | Y | 78.9 | Confident | 74.9 | Confident | 182 Ų | 182 | 82.7 Ų | 82.7 | 71% | 0.714 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -64 | -47.4 | 174.8 | -175.5 | -97.1 | 0 | 0 | 0 | 112.6 | W68 I69 R74 | W68-Y72 WeakPolarHBondContact O-CB 3.27Å; W68-Y72 PolarHBondContact O-N 2.87Å; I69-Y72 PolarHBondContact O-N 3.09Å; Y72-R74 PolarHBondContact O-N 3.45Å |
| 73 | R | 77.5 | Confident | 74.6 | Confident | 179 Ų | 179 | 79 Ų | 79 | 68% | 0.675 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 2.7 | 178 | -65.7 | -175.7 | 177.6 | -166.2 | -0.5 | 114.1 | I69 L75 | I69-R73 HydrophobicContact CG2-CG 4.35Å; I69-R73 VanDerWaalsContact O-CB 3.3Å; I69-R73 WeakPolarHBondContact O-CB 3.47Å; I69-R73 WeakPolarHBondContact O-CG 3.46Å; I69-R73 PolarHBondContact O-N 3.26Å; R73-L75 VanDerWaalsContact C-N 3.26Å; R73-L75 HydrophobicContact CB-CD1 4.27Å; R73-L75 HydrophobicContact CB-CG 4.08Å; R73-L75 PolarHBondContact O-N 3.44Å |
| 74 | R | 66.4 | Low | 74.7 | Confident | 210 Ų | 210 | 78.9 Ų | 78.9 | 79% | 0.792 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 33.3 | -179.2 | -58.7 | -177.1 | 174.8 | -173.9 | -1.3 | 114.7 | F70 K71 Y72 R76 | F70-R74 PolarHBondContact O-N 3.01Å; K71-R74 PolarHBondContact O-N 3.02Å; Y72-R74 PolarHBondContact O-N 3.45Å; R74-R76 PolarHBondContact O-N 2.9Å |
| 75 | L | 62.9 | Low | 74.8 | Confident | 87 Ų | 87 | 76.2 Ų | 76.2 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | trans | -77.1 | 80.1 | 179.6 | -67.3 | 176.1 | 0 | 0 | 0 | 111.2 | F70 R73 F77 | F70-L75 HydrophobicContact CB-CB 4.4Å; F70-L75 HydrophobicContact CD1-CD1 3.91Å; F70-L75 HydrophobicContact CE1-CD1 4.23Å; F70-L75 HydrophobicContact CG-CD1 4.49Å; F70-L75 PolarHBondContact O-N 2.64Å; R73-L75 VanDerWaalsContact C-N 3.26Å; R73-L75 HydrophobicContact CB-CD1 4.27Å; R73-L75 HydrophobicContact CB-CG 4.08Å; R73-L75 PolarHBondContact O-N 3.44Å; L75-F77 PolarHBondContact O-N 2.79Å; L75-F77 VanDerWaalsContact O-N 3.1Å | ||
| 76 | R | 59.3 | Low | 74.8 | Confident | 164 Ų | 164 | 75.8 Ų | 75.8 | 62% | 0.619 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | 5.4 | -172.7 | -71.9 | -179.5 | -70.9 | 162.5 | 0.7 | 116.6 | R74 | R74-R76 PolarHBondContact O-N 2.9Š|
| 77 | F | 58.8 | Low | 75 | Confident | 128 Ų | 128 | 78.2 Ų | 78.2 | 56% | 0.561 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | 0.4 | -172.6 | -62.4 | -63.1 | 0 | 0 | 0 | 114.8 | L75 H542 | L75-F77 PolarHBondContact O-N 2.79Å; L75-F77 VanDerWaalsContact O-N 3.1Å; F77-H542 AromaticContact CE1-ND1 3.98Å |
| 78 | V | 61.2 | Low | 75.5 | Confident | 66 Ų | 66 | 77.8 Ų | 77.8 | 40% | 0.4 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -130.8 | 117 | 177.9 | -160.2 | 0 | 0 | 0 | 0 | 109.4 | F70 V83 | F70-V78 HydrophobicContact CD2-CB 4.32Å; F70-V78 HydrophobicContact CE2-CB 4.13Å; F70-V78 HydrophobicContact CE2-CG1 4.38Å; F70-V78 HydrophobicContact CE2-CG2 4.34Å; V78-V83 HydrophobicContact CB-CG2 4.32Å; V78-V83 HydrophobicContact CG1-CG2 3.53Å |
| 79 | H | 66.6 | Low | 75.9 | Confident | 16 Ų | 16 | 71.4 Ų | 71.4 | 7% | 0.074 | 31% | 0.309 | C | S | . | . | trans | -74.1 | 143.7 | 173.6 | -168.1 | -96.9 | 0 | 0 | 0 | 110.1 | T81 G82 V83 | H79-T81 VanDerWaalsContact C-N 3.29Å; H79-T81 PolarHBondContact ND1-OG1 3.01Å; H79-T81 PolarHBondContact O-N 2.94Å; H79-G82 PolarHBondContact O-N 3.42Å; H79-V83 PolarHBondContact O-N 3.13Å | ||
| 80 | E | 71.8 | Confident | 76.2 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 16% | 0.159 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57.8 | -38.4 | -172.7 | 49.5 | -165.8 | -141.5 | 0 | 0 | 113.6 | V67 K71 G82 V83 T84 F404 | V67-E80 HydrophobicContact CB-CB 4.44Å; V67-E80 HydrophobicContact CG1-CB 4.02Å; V67-E80 VanDerWaalsContact CG1-OE2 3.29Å; V67-E80 WeakPolarHBondContact CG1-OE2 3.42Å; V67-E80 HydrophobicContact CG2-CB 3.51Å; K71-E80 WeakPolarHBondContact CE-OE2 3.16Å; K71-E80 IonicContact NZ-OE1 3.18Å; K71-E80 IonicContact NZ-OE2 2.74Å; K71-E80 PolarHBondContact NZ-OE2 3.12Å; E80-G82 VanDerWaalsContact C-N 3.29Å; E80-G82 PolarHBondContact O-N 2.69Å; E80-V83 WeakPolarHBondContact O-CB 3.45Å; E80-V83 PolarHBondContact O-N 3.41Å; E80-V83 VanDerWaalsContact O-N 3.09Å; E80-T84 WeakPolarHBondContact O-CG2 3.48Å; E80-T84 PolarHBondContact O-N 3.13Å; E80-F404 WeakPolarHBondContact OE1-CD2 3.14Å; E80-F404 VanDerWaalsContact OE1-CE2 3.3Å; E80-F404 WeakPolarHBondContact OE1-CE2 3.34Å |
| 81 | T | 74 | Confident | 76.7 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -27.5 | 175.7 | 60.5 | 0 | 0 | 0 | 0 | 114.4 | H79 T84 L85 T250 E407 F411 | H79-T81 VanDerWaalsContact C-N 3.29Å; H79-T81 PolarHBondContact ND1-OG1 3.01Å; H79-T81 PolarHBondContact O-N 2.94Å; T81-T84 WeakPolarHBondContact CA-OG1 3.1Å; T81-T84 PolarHBondContact O-OG1 2.87Å; T81-L85 WeakPolarHBondContact O-CB 3.19Å; T81-L85 PolarHBondContact O-N 2.84Å; T81-L85 VanDerWaalsContact O-N 3.15Å; T81-T250 WeakPolarHBondContact OG1-CG2 3.41Å; T81-E407 HydrophobicContact CG2-CG 3.84Å; T81-E407 VanDerWaalsContact CG2-OE1 3.29Å; T81-E407 WeakPolarHBondContact CG2-OE1 3.43Å; T81-F411 VanDerWaalsContact CB-CD2 3.47Å; T81-F411 HydrophobicContact CG2-CD2 3.53Å; T81-F411 HydrophobicContact CG2-CE2 3.46Å; T81-F411 VanDerWaalsContact CG2-CE2 3.46Å |
| 82 | G | 77.4 | Confident | 77.2 | Confident | 6 Ų | 6 | 64.9 Ų | 64.9 | 6% | 0.062 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.7 | -37.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H79 E80 I86 | H79-G82 PolarHBondContact O-N 3.42Å; E80-G82 VanDerWaalsContact C-N 3.29Å; E80-G82 PolarHBondContact O-N 2.69Å; G82-I86 WeakPolarHBondContact O-CD1 3.34Å; G82-I86 VanDerWaalsContact O-CG1 3.25Å; G82-I86 WeakPolarHBondContact O-CG1 3.22Å; G82-I86 PolarHBondContact O-N 2.89Å; G82-I86 VanDerWaalsContact O-N 3.08Å |
| 83 | V | 81.1 | Confident | 77.5 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 5% | 0.048 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 175.5 | -174.5 | 0 | 0 | 0 | 0 | 110.6 | F70 V78 H79 E80 L85 I86 Y87 | F70-V83 HydrophobicContact CD2-CG2 4.02Å; F70-V83 HydrophobicContact CE2-CG1 4.47Å; F70-V83 HydrophobicContact CE2-CG2 3.62Å; V78-V83 HydrophobicContact CB-CG2 4.32Å; V78-V83 HydrophobicContact CG1-CG2 3.53Å; H79-V83 PolarHBondContact O-N 3.13Å; E80-V83 WeakPolarHBondContact O-CB 3.45Å; E80-V83 PolarHBondContact O-N 3.41Å; E80-V83 VanDerWaalsContact O-N 3.09Å; V83-L85 PolarHBondContact O-N 3.01Å; V83-I86 PolarHBondContact O-N 3.35Å; V83-Y87 HydrophobicContact CG1-CD2 3.74Å; V83-Y87 HydrophobicContact CG1-CE2 3.64Å; V83-Y87 VanDerWaalsContact O-CD2 3.3Å; V83-Y87 WeakPolarHBondContact O-CD2 3.48Å; V83-Y87 PolarHBondContact O-N 2.84Å |
| 84 | T | 83.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.1 | -33.9 | -177.1 | 62.8 | 0 | 0 | 0 | 0 | 113 | T63 E80 T81 G88 N408 F411 T412 | T63-T84 HydrophobicContact CG2-CG2 3.52Å; E80-T84 WeakPolarHBondContact O-CG2 3.48Å; E80-T84 PolarHBondContact O-N 3.13Å; T81-T84 WeakPolarHBondContact CA-OG1 3.1Å; T81-T84 PolarHBondContact O-OG1 2.87Å; T84-G88 PolarHBondContact O-N 3.38Å; T84-N408 HydrophobicContact CG2-CB 4.03Å; T84-N408 WeakPolarHBondContact CG2-OD1 3.45Å; T84-F411 WeakPolarHBondContact OG1-CB 3.47Å; T84-T412 WeakPolarHBondContact CB-OG1 3.36Å; T84-T412 WeakPolarHBondContact O-CA 3.32Å; T84-T412 PolarHBondContact O-OG1 2.81Å |
| 85 | L | 86 | Confident | 78.6 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.1 | -44.4 | 170.7 | -175.8 | 58.3 | 0 | 0 | 0 | 112.1 | T81 V83 Y87 G88 L89 F411 I414 I530 V533 L534 | T81-L85 WeakPolarHBondContact O-CB 3.19Å; T81-L85 PolarHBondContact O-N 2.84Å; T81-L85 VanDerWaalsContact O-N 3.15Å; V83-L85 PolarHBondContact O-N 3.01Å; L85-Y87 VanDerWaalsContact C-N 3.34Å; L85-Y87 PolarHBondContact O-N 3.19Å; L85-G88 PolarHBondContact O-N 3.49Å; L85-L89 HydrophobicContact CD1-CG 4.45Å; L85-L89 HydrophobicContact CG-CD1 4.13Å; L85-L89 VanDerWaalsContact O-CG 3.31Å; L85-L89 WeakPolarHBondContact O-CG 3.36Å; L85-L89 PolarHBondContact O-N 2.98Å; L85-F411 HydrophobicContact CB-CB 4.31Å; L85-F411 WeakPolarHBondContact CD1-O 3.46Å; L85-I414 HydrophobicContact CD1-CG2 4.34Å; L85-I530 HydrophobicContact CD1-CG1 4.35Å; L85-I530 HydrophobicContact CD2-CB 4.35Å; L85-I530 HydrophobicContact CD2-CG1 4.19Å; L85-I530 HydrophobicContact CD2-CG2 4.26Å; L85-V533 HydrophobicContact CD2-CB 3.86Å; L85-V533 HydrophobicContact CD2-CG1 3.79Å; L85-L534 HydrophobicContact CB-CD2 4.27Å; L85-L534 HydrophobicContact CD2-CD2 3.89Å; L85-L534 HydrophobicContact CD2-CG 3.95Å; L85-L534 HydrophobicContact CG-CD2 4.27Å |
| 86 | I | 87.4 | Confident | 79.3 | Confident | 76 Ų | 76 | 44.7 Ų | 44.7 | 39% | 0.39 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.9 | -44.1 | 176.1 | -71.3 | 164.9 | 0 | 0 | 0 | 111 | G82 V83 G88 L89 I90 L534 | G82-I86 WeakPolarHBondContact O-CD1 3.34Å; G82-I86 VanDerWaalsContact O-CG1 3.25Å; G82-I86 WeakPolarHBondContact O-CG1 3.22Å; G82-I86 PolarHBondContact O-N 2.89Å; G82-I86 VanDerWaalsContact O-N 3.08Å; V83-I86 PolarHBondContact O-N 3.35Å; I86-G88 VanDerWaalsContact C-N 3.35Å; I86-G88 PolarHBondContact O-N 3.11Å; I86-L89 PolarHBondContact O-N 2.97Å; I86-I90 HydrophobicContact CG2-CD1 3.78Å; I86-I90 HydrophobicContact CG2-CG1 4.46Å; I86-I90 WeakPolarHBondContact O-CG1 3.48Å; I86-I90 PolarHBondContact O-N 3.01Å; I86-L534 HydrophobicContact CD1-CD2 4.14Å; I86-L534 HydrophobicContact CG1-CD2 3.81Å |
| 87 | Y | 88.4 | Confident | 80.4 | Confident | 71 Ų | 71 | 42.3 Ų | 42.3 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.8 | -40.7 | 175.3 | -88.1 | -64.2 | 0 | 0 | 0 | 112.8 | L59 T63 T66 V83 L85 I90 V91 | L59-Y87 HydrophobicContact CD1-CD1 4.15Å; L59-Y87 HydrophobicContact CD1-CG 4.31Å; T63-Y87 HydrophobicContact CG2-CD2 3.89Å; T63-Y87 HydrophobicContact CG2-CG 4.19Å; T66-Y87 HydrophobicContact CG2-CE2 3.99Å; T66-Y87 WeakPolarHBondContact CG2-OH 3.42Å; V83-Y87 HydrophobicContact CG1-CD2 3.74Å; V83-Y87 HydrophobicContact CG1-CE2 3.64Å; V83-Y87 VanDerWaalsContact O-CD2 3.3Å; V83-Y87 WeakPolarHBondContact O-CD2 3.48Å; V83-Y87 PolarHBondContact O-N 2.84Å; L85-Y87 VanDerWaalsContact C-N 3.34Å; L85-Y87 PolarHBondContact O-N 3.19Å; Y87-I90 PolarHBondContact O-N 3.38Å; Y87-V91 PolarHBondContact O-N 3.39Å; Y87-V91 VanDerWaalsContact O-N 3.08Å |
| 88 | G | 87.9 | Confident | 81.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T84 L85 I86 I90 V91 G92 T412 G415 V416 | T84-G88 PolarHBondContact O-N 3.38Å; L85-G88 PolarHBondContact O-N 3.49Å; I86-G88 VanDerWaalsContact C-N 3.35Å; I86-G88 PolarHBondContact O-N 3.11Å; G88-I90 PolarHBondContact O-N 3Å; G88-V91 PolarHBondContact O-N 3.22Å; G88-G92 PolarHBondContact O-N 2.86Å; G88-T412 WeakPolarHBondContact CA-O 3.35Å; G88-G415 CarbonylContact O-C 3.51Å; G88-V416 WeakPolarHBondContact O-CA 3.28Å; G88-V416 WeakPolarHBondContact O-CG2 3.35Å; G88-V416 PolarHBondContact O-N 2.83Å |
| 89 | L | 90.1 | Very high | 81.5 | Confident | 27 Ų | 27 | 37.8 Ų | 37.8 | 14% | 0.141 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 178.6 | -71.2 | 167 | 0 | 0 | 0 | 112.4 | L85 I86 L93 G415 L418 F419 I530 L534 | L85-L89 HydrophobicContact CD1-CG 4.45Å; L85-L89 HydrophobicContact CG-CD1 4.13Å; L85-L89 VanDerWaalsContact O-CG 3.31Å; L85-L89 WeakPolarHBondContact O-CG 3.36Å; L85-L89 PolarHBondContact O-N 2.98Å; I86-L89 PolarHBondContact O-N 2.97Å; L89-L93 WeakPolarHBondContact O-CB 3.22Å; L89-L93 PolarHBondContact O-N 2.92Å; L89-G415 WeakPolarHBondContact CA-O 3.45Å; L89-L418 HydrophobicContact CD2-CB 4.24Å; L89-L418 HydrophobicContact CD2-CD2 3.56Å; L89-F419 HydrophobicContact CB-CE2 4.15Å; L89-F419 HydrophobicContact CD2-CD2 4.28Å; L89-F419 HydrophobicContact CD2-CE2 3.81Å; L89-F419 VanDerWaalsContact O-CD2 3.24Å; L89-F419 WeakPolarHBondContact O-CD2 3.29Å; L89-F419 VanDerWaalsContact O-CE2 3.3Å; L89-F419 WeakPolarHBondContact O-CE2 3.39Å; L89-I530 HydrophobicContact CD1-CG2 4.14Å; L89-I530 HydrophobicContact CD2-CD1 3.99Å; L89-L534 HydrophobicContact CD1-CD1 4.43Å |
| 90 | I | 90.5 | Very high | 81 | Confident | 85 Ų | 85 | 43 Ų | 43 | 44% | 0.436 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -63.4 | -46.7 | 176.5 | -68.7 | 165.8 | 0 | 0 | 0 | 110.5 | I86 Y87 G88 L93 I94 | I86-I90 HydrophobicContact CG2-CD1 3.78Å; I86-I90 HydrophobicContact CG2-CG1 4.46Å; I86-I90 WeakPolarHBondContact O-CG1 3.48Å; I86-I90 PolarHBondContact O-N 3.01Å; Y87-I90 PolarHBondContact O-N 3.38Å; G88-I90 PolarHBondContact O-N 3Å; I90-L93 PolarHBondContact O-N 2.72Å; I90-I94 HydrophobicContact CG2-CD1 3.92Å; I90-I94 WeakPolarHBondContact O-CG1 3.4Å; I90-I94 PolarHBondContact O-N 1.93Å |
| 91 | V | 86.6 | Confident | 79.9 | Confident | 23 Ų | 23 | 44.8 Ų | 44.8 | 14% | 0.139 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.6 | -41.4 | -179.4 | 168.6 | 0 | 0 | 0 | 0 | 112.1 | L55 L59 Y87 G88 L93 I94 I95 V416 | L55-V91 HydrophobicContact CD1-CG1 3.93Å; L55-V91 HydrophobicContact CD2-CG1 3.92Å; L55-V91 HydrophobicContact CG-CG1 4.16Å; L59-V91 HydrophobicContact CD1-CG2 3.68Å; L59-V91 HydrophobicContact CD2-CB 3.9Å; L59-V91 HydrophobicContact CD2-CG1 4.12Å; L59-V91 HydrophobicContact CD2-CG2 3.77Å; L59-V91 HydrophobicContact CG-CG2 4.39Å; Y87-V91 PolarHBondContact O-N 3.39Å; Y87-V91 VanDerWaalsContact O-N 3.08Å; G88-V91 PolarHBondContact O-N 3.22Å; V91-L93 VanDerWaalsContact C-N 3.3Å; V91-L93 PolarHBondContact O-N 2.97Å; V91-I94 PolarHBondContact O-N 2.8Å; V91-I94 VanDerWaalsContact O-N 3.16Å; V91-I95 HydrophobicContact CG1-CD1 4.22Å; V91-I95 WeakPolarHBondContact O-CG1 3.39Å; V91-I95 PolarHBondContact O-N 2.85Å; V91-V416 HydrophobicContact CB-CG2 4.39Å; V91-V416 HydrophobicContact CG1-CG2 4.23Å |
| 92 | G | 84.5 | Confident | 78.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.8 | -41.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G88 I95 K96 F419 | G88-G92 PolarHBondContact O-N 2.86Å; G92-I95 PolarHBondContact O-N 2.84Å; G92-K96 WeakPolarHBondContact O-CB 3.17Å; G92-K96 PolarHBondContact O-N 2.95Å; G92-F419 VanDerWaalsContact O-CB 3.24Å; G92-F419 WeakPolarHBondContact O-CB 3.28Å |
| 93 | L | 86.7 | Confident | 77.1 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 38% | 0.382 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 175.5 | 179.6 | 60.7 | 0 | 0 | 0 | 111.8 | L89 I90 V91 K96 L97 F419 | L89-L93 WeakPolarHBondContact O-CB 3.22Å; L89-L93 PolarHBondContact O-N 2.92Å; I90-L93 PolarHBondContact O-N 2.72Å; V91-L93 VanDerWaalsContact C-N 3.3Å; V91-L93 PolarHBondContact O-N 2.97Å; L93-K96 PolarHBondContact O-N 3.49Å; L93-L97 HydrophobicContact CD1-CD1 4.08Å; L93-L97 HydrophobicContact CD1-CG 4.19Å; L93-L97 HydrophobicContact CG-CD1 3.95Å; L93-L97 HydrophobicContact CG-CG 4.48Å; L93-L97 WeakPolarHBondContact O-CB 3.38Å; L93-L97 VanDerWaalsContact O-CG 3.24Å; L93-L97 WeakPolarHBondContact O-CG 3.28Å; L93-L97 PolarHBondContact O-N 3.11Å; L93-F419 HydrophobicContact CB-CD1 4.37Å; L93-F419 HydrophobicContact CB-CD2 3.98Å; L93-F419 HydrophobicContact CB-CE1 4.46Å; L93-F419 HydrophobicContact CB-CE2 4.07Å; L93-F419 HydrophobicContact CB-CG 4.13Å; L93-F419 HydrophobicContact CB-CZ 4.31Å; L93-F419 HydrophobicContact CD1-CD1 4.05Å; L93-F419 HydrophobicContact CD1-CE1 3.98Å; L93-F419 HydrophobicContact CD1-CZ 4.46Å |
| 94 | I | 85.9 | Confident | 75.4 | Confident | 95 Ų | 95 | 60 Ų | 60 | 49% | 0.487 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.4 | -48.6 | 175.5 | -70 | 164.1 | 0 | 0 | 0 | 110.7 | I90 V91 K96 L97 S98 | I90-I94 HydrophobicContact CG2-CD1 3.92Å; I90-I94 WeakPolarHBondContact O-CG1 3.4Å; I90-I94 PolarHBondContact O-N 1.93Å; V91-I94 PolarHBondContact O-N 2.8Å; V91-I94 VanDerWaalsContact O-N 3.16Å; I94-K96 PolarHBondContact O-N 3.47Å; I94-L97 PolarHBondContact O-N 2.7Å; I94-L97 VanDerWaalsContact O-N 3.08Å; I94-S98 PolarHBondContact O-N 3.4Å; I94-S98 PolarHBondContact O-OG 3.1Å |
| 95 | I | 79.5 | Confident | 73.8 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 7% | 0.067 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -53.2 | -53.9 | 175.5 | -64.2 | 164.8 | 0 | 0 | 0 | 109.9 | L55 V91 G92 L97 S98 T99 E163 V416 | L55-I95 HydrophobicContact CD2-CD1 3.98Å; V91-I95 HydrophobicContact CG1-CD1 4.22Å; V91-I95 WeakPolarHBondContact O-CG1 3.39Å; V91-I95 PolarHBondContact O-N 2.85Å; G92-I95 PolarHBondContact O-N 2.84Å; I95-L97 PolarHBondContact O-N 3.08Å; I95-L97 VanDerWaalsContact O-N 3.12Å; I95-S98 PolarHBondContact O-N 2.75Å; I95-T99 HydrophobicContact CG2-CG2 4.25Å; I95-T99 WeakPolarHBondContact O-CG2 3.48Å; I95-T99 PolarHBondContact O-N 3.14Å; I95-T99 PolarHBondContact O-OG1 3.17Å; I95-E163 HydrophobicContact CG2-CG 4.39Å; I95-V416 HydrophobicContact CD1-CG1 3.96Å |
| 96 | K | 78.4 | Confident | 72.2 | Confident | 54 Ų | 54 | 68.2 Ų | 68.2 | 24% | 0.235 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.5 | -17.8 | -178.8 | -159.2 | -168.4 | -166.6 | 62.6 | 0 | 114.3 | G92 L93 I94 K100 F419 | G92-K96 WeakPolarHBondContact O-CB 3.17Å; G92-K96 PolarHBondContact O-N 2.95Å; L93-K96 PolarHBondContact O-N 3.49Å; I94-K96 PolarHBondContact O-N 3.47Å; K96-K100 VanDerWaalsContact O-CD 3.32Å; K96-K100 WeakPolarHBondContact O-CD 3.49Å; K96-K100 VanDerWaalsContact O-CG 3.23Å; K96-K100 WeakPolarHBondContact O-CG 3.47Å; K96-F419 HydrophobicContact CB-CB 4.22Å; K96-F419 HydrophobicContact CD-CB 4.13Å; K96-F419 HydrophobicContact CD-CD1 4.09Å; K96-F419 WeakPolarHBondContact CD-O 3.25Å; K96-F419 WeakPolarHBondContact CE-O 3.4Å; K96-F419 WeakPolarHBondContact CG-O 3.38Å; K96-F419 PolarHBondContact NZ-O 3.02Å |
| 97 | L | 82.6 | Confident | 70.4 | Confident | 113 Ų | 113 | 69 Ų | 69 | 59% | 0.592 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -90.4 | -32.5 | 174.5 | -73.3 | 171.4 | 0 | 0 | 0 | 111.7 | L93 I94 I95 | L93-L97 HydrophobicContact CD1-CD1 4.08Å; L93-L97 HydrophobicContact CD1-CG 4.19Å; L93-L97 HydrophobicContact CG-CD1 3.95Å; L93-L97 HydrophobicContact CG-CG 4.48Å; L93-L97 WeakPolarHBondContact O-CB 3.38Å; L93-L97 VanDerWaalsContact O-CG 3.24Å; L93-L97 WeakPolarHBondContact O-CG 3.28Å; L93-L97 PolarHBondContact O-N 3.11Å; I94-L97 PolarHBondContact O-N 2.7Å; I94-L97 VanDerWaalsContact O-N 3.08Å; I95-L97 PolarHBondContact O-N 3.08Å; I95-L97 VanDerWaalsContact O-N 3.12Å |
| 98 | S | 75.5 | Confident | 69.1 | Low | 83 Ų | 83 | 68.7 Ų | 68.7 | 58% | 0.58 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -68.5 | -48.1 | 173.2 | -62.8 | 0 | 0 | 0 | 0 | 112.3 | I94 I95 K100 | I94-S98 PolarHBondContact O-N 3.4Å; I94-S98 PolarHBondContact O-OG 3.1Å; I95-S98 PolarHBondContact O-N 2.75Å; S98-K100 PolarHBondContact O-N 3.34Å |
| 99 | T | 66.3 | Low | 68.1 | Low | 17 Ų | 17 | 70 Ų | 70 | 10% | 0.104 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -72.6 | -12.7 | -175.1 | 57.4 | 0 | 0 | 0 | 0 | 114.4 | I95 G101 E159 E163 | I95-T99 HydrophobicContact CG2-CG2 4.25Å; I95-T99 WeakPolarHBondContact O-CG2 3.48Å; I95-T99 PolarHBondContact O-N 3.14Å; I95-T99 PolarHBondContact O-OG1 3.17Å; T99-G101 PolarHBondContact O-N 2.92Å; T99-E159 HydrophobicContact CG2-CB 4.12Å; T99-E159 HydrophobicContact CG2-CG 4.44Å; T99-E163 WeakPolarHBondContact CB-OE1 3.08Å; T99-E163 HydrophobicContact CG2-CG 3.9Å; T99-E163 PolarHBondContact OG1-OE1 3.18Å |
| 100 | K | 57 | Low | 67.1 | Low | 124 Ų | 124 | 72.2 Ų | 72.2 | 54% | 0.539 | 42% | 0.422 | S | S | . | . | G | 310 helix | trans | -73 | 6.1 | -178.2 | -96.5 | -176 | 176.1 | -166.5 | 0 | 115.1 | K96 S98 S102 | K96-K100 VanDerWaalsContact O-CD 3.32Å; K96-K100 WeakPolarHBondContact O-CD 3.49Å; K96-K100 VanDerWaalsContact O-CG 3.23Å; K96-K100 WeakPolarHBondContact O-CG 3.47Å; S98-K100 PolarHBondContact O-N 3.34Å; K100-S102 VanDerWaalsContact C-N 3.33Å; K100-S102 PolarHBondContact O-N 3.36Å |
| 101 | G | 49.2 | Very low | 66.2 | Low | 73 Ų | 73 | 71 Ų | 71 | 75% | 0.753 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -63.7 | -30.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | T99 | T99-G101 PolarHBondContact O-N 2.92Š|
| 102 | S | 45.8 | Very low | 65.3 | Low | 67 Ų | 67 | 74.6 Ų | 74.6 | 47% | 0.469 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -138.9 | 20.1 | -170.1 | -145.2 | 0 | 0 | 0 | 0 | 116 | K100 R104 E156 | K100-S102 VanDerWaalsContact C-N 3.33Å; K100-S102 PolarHBondContact O-N 3.36Å; S102-R104 PolarHBondContact O-N 2.94Å; S102-E156 WeakPolarHBondContact CB-OE1 3.43Å; S102-E156 PolarHBondContact OG-OE1 3.08Å |
| 103 | S | 46.4 | Very low | 64.1 | Low | 88 Ų | 88 | 80 Ų | 80 | 62% | 0.615 | 48% | 0.476 | S | S | * | . | trans | -78 | 74.2 | -173.4 | 68.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 104 | R | 45.9 | Very low | 62.9 | Low | 178 Ų | 178 | 84.7 Ų | 84.7 | 67% | 0.672 | 49% | 0.494 | S | S | * | . | trans | -64.3 | 140.3 | 153.6 | -137.1 | 172.8 | -175.1 | 176.5 | -1 | 107.3 | S102 | S102-R104 PolarHBondContact O-N 2.94Š| ||
| 105 | P | 48.8 | Very low | 61.6 | Low | 110 Ų | 110 | 88.7 Ų | 88.7 | 71% | 0.714 | 52% | 0.516 | S | S | * | . | trans | -66 | 131.9 | 177.6 | 26.7 | -33.8 | 0 | 0 | 0 | 109.6 | M107 | P105-M107 PolarHBondContact O-N 3.3Å; P105-M107 VanDerWaalsContact O-N 3.08Å | ||
| 106 | P | 53.3 | Low | 60.8 | Low | 62 Ų | 62 | 95 Ų | 95 | 40% | 0.403 | 55% | 0.547 | S | S | . | . | trans | -62.7 | 113.3 | -166 | 20.1 | -32.2 | 0 | 0 | 0 | 112.8 | T108 D125 Y126 | P106-T108 PolarHBondContact O-N 2.7Å; P106-D125 WeakPolarHBondContact CA-OD2 3.35Å; P106-D125 HydrophobicContact CB-CB 3.94Å; P106-Y126 HydrophobicContact CB-CD2 4.02Å; P106-Y126 HydrophobicContact CB-CE2 3.72Å; P106-Y126 HydrophobicContact CG-CE2 4.48Å | ||
| 107 | M | 49.6 | Very low | 60.1 | Low | 93 Ų | 93 | 99.2 Ų | 99.2 | 46% | 0.458 | 58% | 0.578 | S | S | . | * | trans | -72.6 | 108 | -177.2 | -177.9 | 173.1 | 172.3 | 0 | 0 | 109.9 | P105 I120 P124 D125 Y126 | P105-M107 PolarHBondContact O-N 3.3Å; P105-M107 VanDerWaalsContact O-N 3.08Å; M107-I120 HydrophobicContact CE-CG2 3.66Å; M107-I120 HydrophobicContact SD-CG2 4.42Å; M107-P124 HydrophobicContact CB-CB 4.29Å; M107-P124 HydrophobicContact CE-CB 4.46Å; M107-P124 HydrophobicContact CG-CB 3.88Å; M107-P124 CarbonylContact O-C 3.6Å; M107-P124 VanDerWaalsContact O-CB 3.3Å; M107-P124 WeakPolarHBondContact O-CB 3.21Å; M107-P124 HydrophobicContact SD-CB 4.32Å; M107-D125 PolarHBondContact N-OD2 2.99Å; M107-D125 PolarHBondContact O-N 3.18Å; M107-Y126 PolarHBondContact O-N 3.45Å | ||
| 108 | T | 61.3 | Low | 59.2 | Low | 64 Ų | 64 | 98.6 Ų | 98.6 | 39% | 0.393 | 58% | 0.578 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.8 | 108.4 | 174 | -56.8 | 0 | 0 | 0 | 0 | 110 | P106 Y126 R128 | P106-T108 PolarHBondContact O-N 2.7Å; T108-Y126 CarbonylContact C-O 3.54Å; T108-Y126 WeakPolarHBondContact CA-O 3.2Å; T108-R128 HydrophobicContact CG2-CB 4Å |
| 109 | A | 65.6 | Low | 58.5 | Low | 28 Ų | 28 | 100.5 Ų | 100.5 | 23% | 0.231 | 59% | 0.591 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.3 | 139.7 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P124 Y126 L127 R128 | A109-P124 HydrophobicContact CB-CB 3.78Å; A109-P124 HydrophobicContact CB-CG 3.77Å; A109-Y126 PolarHBondContact N-O 3.34Å; A109-L127 HydrophobicContact CB-CD2 4.1Å; A109-L127 WeakPolarHBondContact O-CA 3.15Å; A109-R128 PolarHBondContact O-N 3.29Å |
| 110 | A | 70.2 | Confident | 58.2 | Low | 73 Ų | 73 | 103.4 Ų | 103.4 | 60% | 0.603 | 61% | 0.606 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.8 | 127.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V112 R128 | A110-V112 PolarHBondContact O-N 3.02Å; A110-R128 WeakPolarHBondContact CA-O 3.17Å |
| 111 | V | 70.2 | Confident | 58.2 | Low | 59 Ų | 59 | 106.5 Ų | 106.5 | 36% | 0.358 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.9 | 99.1 | 173.4 | -175.7 | 0 | 0 | 0 | 0 | 108 | L127 R128 L129 | V111-L127 HydrophobicContact CG2-CB 3.85Å; V111-L127 HydrophobicContact CG2-CD1 4.15Å; V111-L127 HydrophobicContact CG2-CD2 4.08Å; V111-L127 HydrophobicContact CG2-CG 4.26Å; V111-R128 PolarHBondContact N-O 3.38Å; V111-L129 HydrophobicContact CB-CB 4.06Å; V111-L129 HydrophobicContact CB-CD1 3.97Å; V111-L129 HydrophobicContact CG1-CD1 3.92Å; V111-L129 HydrophobicContact CG2-CB 4.31Å |
| 112 | V | 67.7 | Low | 58.5 | Low | 99 Ų | 99 | 104.6 Ų | 104.6 | 60% | 0.6 | 60% | 0.599 | S | S | * | * | trans | -85 | 129 | 172.2 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | A110 F114 | A110-V112 PolarHBondContact O-N 3.02Å; V112-F114 HydrophobicContact CG1-CB 4.5Å; V112-F114 HydrophobicContact CG1-CD2 4.28Å; V112-F114 PolarHBondContact O-N 3.26Å | ||
| 113 | P | 61 | Low | 59.2 | Low | 115 Ų | 115 | 104.8 Ų | 104.8 | 75% | 0.747 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -77.2 | 67.2 | 179.4 | 32.6 | -36.2 | 0 | 0 | 0 | 111.7 | ||
| 114 | F | 61.2 | Low | 59.9 | Low | 170 Ų | 170 | 100.8 Ų | 100.8 | 75% | 0.746 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -136.2 | 156.8 | 169.3 | -95.1 | -88.3 | 0 | 0 | 0 | 109.7 | V112 M116 | V112-F114 HydrophobicContact CG1-CB 4.5Å; V112-F114 HydrophobicContact CG1-CD2 4.28Å; V112-F114 PolarHBondContact O-N 3.26Å; F114-M116 PolarHBondContact O-N 3.2Å |
| 115 | N | 58.7 | Low | 60.6 | Low | 179 Ų | 179 | 95 Ų | 95 | 96% | 0.957 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -77.9 | 63.5 | -172.3 | -157.5 | 24.6 | 0 | 0 | 0 | 111.9 | ||
| 116 | M | 61.5 | Low | 61.4 | Low | 146 Ų | 146 | 92.1 Ų | 92.1 | 72% | 0.719 | 53% | 0.528 | S | S | * | . | trans | -122 | 105.2 | -167.5 | -175.8 | 179.9 | -68.3 | 0 | 0 | 111.3 | F114 V118 | F114-M116 PolarHBondContact O-N 3.2Å; M116-V118 HydrophobicContact CG-CG2 4.24Å; M116-V118 HydrophobicContact SD-CG2 4.45Å | ||
| 117 | T | 64 | Low | 62.3 | Low | 143 Ų | 143 | 91.2 Ų | 91.2 | 88% | 0.877 | 52% | 0.52 | S | S | * | . | trans | -80.4 | 114.1 | 169.5 | 50.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 118 | V | 64.1 | Low | 63.4 | Low | 100 Ų | 100 | 91.8 Ų | 91.8 | 61% | 0.606 | 52% | 0.517 | S | S | * | . | trans | -95.5 | 123.5 | 173.8 | -174.4 | 0 | 0 | 0 | 0 | 109.2 | M116 I120 | M116-V118 HydrophobicContact CG-CG2 4.24Å; M116-V118 HydrophobicContact SD-CG2 4.45Å; V118-I120 HydrophobicContact CB-CG1 4.33Å; V118-I120 HydrophobicContact CG1-CG1 4.12Å; V118-I120 WeakPolarHBondContact O-CG1 3.36Å; V118-I120 PolarHBondContact O-N 2.95Å | ||
| 119 | S | 59.6 | Low | 64.2 | Low | 122 Ų | 122 | 91 Ų | 91 | 85% | 0.853 | 51% | 0.51 | S | S | * | . | trans | -75.8 | 111.2 | 168.3 | 53.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 120 | I | 61.7 | Low | 64.8 | Low | 79 Ų | 79 | 92.8 Ų | 92.8 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | trans | -114.8 | 130.9 | -177.2 | -22.3 | 176.9 | 0 | 0 | 0 | 108.6 | M107 V118 A122 P124 | M107-I120 HydrophobicContact CE-CG2 3.66Å; M107-I120 HydrophobicContact SD-CG2 4.42Å; V118-I120 HydrophobicContact CB-CG1 4.33Å; V118-I120 HydrophobicContact CG1-CG1 4.12Å; V118-I120 WeakPolarHBondContact O-CG1 3.36Å; V118-I120 PolarHBondContact O-N 2.95Å; I120-A122 WeakPolarHBondContact CB-O 3.36Å; I120-A122 WeakPolarHBondContact CG2-O 3.46Å; I120-A122 PolarHBondContact O-N 3.38Å; I120-P124 HydrophobicContact CD1-CG 4.37Å | ||
| 121 | E | 56.4 | Low | 65.2 | Low | 189 Ų | 189 | 92 Ų | 92 | 88% | 0.883 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -63.4 | -25.7 | 179.9 | -63.2 | -177 | 158.7 | 0 | 0 | 113.3 | ||
| 122 | A | 56.2 | Low | 65.6 | Low | 33 Ų | 33 | 94.2 Ų | 94.2 | 27% | 0.273 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -145.2 | 150 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | I120 | I120-A122 WeakPolarHBondContact CB-O 3.36Å; I120-A122 WeakPolarHBondContact CG2-O 3.46Å; I120-A122 PolarHBondContact O-N 3.38Å |
| 123 | P | 58.8 | Low | 66.2 | Low | 71 Ų | 71 | 93.7 Ų | 93.7 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | trans | -62 | 144.2 | 173.2 | 26.8 | -33.5 | 0 | 0 | 0 | 110.6 | T152 | P123-T152 HydrophobicContact CG-CG2 3.76Š| ||
| 124 | P | 62.6 | Low | 67.1 | Low | 4 Ų | 4 | 94.1 Ų | 94.1 | 3% | 0.026 | 50% | 0.5 | C | S | . | . | trans | -72.3 | 133.6 | 178.2 | 29.8 | -34.5 | 0 | 0 | 0 | 110.3 | M107 A109 I120 Y126 L127 F150 | M107-P124 HydrophobicContact CB-CB 4.29Å; M107-P124 HydrophobicContact CE-CB 4.46Å; M107-P124 HydrophobicContact CG-CB 3.88Å; M107-P124 CarbonylContact O-C 3.6Å; M107-P124 VanDerWaalsContact O-CB 3.3Å; M107-P124 WeakPolarHBondContact O-CB 3.21Å; M107-P124 HydrophobicContact SD-CB 4.32Å; A109-P124 HydrophobicContact CB-CB 3.78Å; A109-P124 HydrophobicContact CB-CG 3.77Å; I120-P124 HydrophobicContact CD1-CG 4.37Å; P124-Y126 PolarHBondContact O-N 3.23Å; P124-L127 HydrophobicContact CG-CD2 3.79Å; P124-F150 WeakPolarHBondContact O-CD2 3.33Å | ||
| 125 | D | 60.6 | Low | 67.8 | Low | 56 Ų | 56 | 87 Ų | 87 | 30% | 0.299 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -52.5 | -31.7 | 177.5 | -53.4 | -107.5 | 0 | 0 | 0 | 113.1 | P106 M107 K149 F150 | P106-D125 WeakPolarHBondContact CA-OD2 3.35Å; P106-D125 HydrophobicContact CB-CB 3.94Å; M107-D125 PolarHBondContact N-OD2 2.99Å; M107-D125 PolarHBondContact O-N 3.18Å; D125-K149 CarbonylContact O-C 3.55Å; D125-K149 VanDerWaalsContact O-CA 3.3Å; D125-K149 WeakPolarHBondContact O-CA 3.27Å; D125-K149 VanDerWaalsContact O-CG 3.31Å; D125-K149 WeakPolarHBondContact O-CG 3.45Å; D125-F150 PolarHBondContact O-N 3.42Å |
| 126 | Y | 65.9 | Low | 68.7 | Low | 50 Ų | 50 | 84 Ų | 84 | 20% | 0.196 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135.2 | 176.6 | -61 | -81.5 | 0 | 0 | 0 | 113.5 | P106 M107 T108 A109 P124 R147 Y148 K149 | P106-Y126 HydrophobicContact CB-CD2 4.02Å; P106-Y126 HydrophobicContact CB-CE2 3.72Å; P106-Y126 HydrophobicContact CG-CE2 4.48Å; M107-Y126 PolarHBondContact O-N 3.45Å; T108-Y126 CarbonylContact C-O 3.54Å; T108-Y126 WeakPolarHBondContact CA-O 3.2Å; A109-Y126 PolarHBondContact N-O 3.34Å; P124-Y126 PolarHBondContact O-N 3.23Å; Y126-R147 HydrophobicContact CD1-CG 3.79Å; Y126-R147 HydrophobicContact CG-CG 4.27Å; Y126-Y148 CarbonylContact C-O 3.51Å; Y126-Y148 VanDerWaalsContact CA-O 3.23Å; Y126-Y148 WeakPolarHBondContact CA-O 3.23Å; Y126-K149 HydrophobicContact CD1-CB 3.83Å; Y126-K149 HydrophobicContact CD1-CG 3.91Å; Y126-K149 HydrophobicContact CE1-CB 3.7Å; Y126-K149 HydrophobicContact CE1-CD 3.88Å; Y126-K149 HydrophobicContact CE1-CG 3.53Å |
| 127 | L | 71 | Confident | 69.4 | Low | 43 Ų | 43 | 84.8 Ų | 84.8 | 23% | 0.225 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.1 | 160.5 | -67 | -176.7 | 0 | 0 | 0 | 110.3 | A109 V111 P124 R147 Y148 F150 | A109-L127 HydrophobicContact CB-CD2 4.1Å; A109-L127 WeakPolarHBondContact O-CA 3.15Å; V111-L127 HydrophobicContact CG2-CB 3.85Å; V111-L127 HydrophobicContact CG2-CD1 4.15Å; V111-L127 HydrophobicContact CG2-CD2 4.08Å; V111-L127 HydrophobicContact CG2-CG 4.26Å; P124-L127 HydrophobicContact CG-CD2 3.79Å; L127-R147 CarbonylContact O-C 3.58Å; L127-R147 VanDerWaalsContact O-CA 3.31Å; L127-R147 WeakPolarHBondContact O-CA 3.43Å; L127-Y148 PolarHBondContact N-O 2.84Å; L127-Y148 PolarHBondContact O-N 2.86Å; L127-F150 HydrophobicContact CD1-CE2 3.51Å; L127-F150 HydrophobicContact CD1-CZ 3.82Å; L127-F150 HydrophobicContact CD2-CE2 4.2Å; L127-F150 HydrophobicContact CG-CD2 4.19Å; L127-F150 HydrophobicContact CG-CE2 3.56Å; L127-F150 HydrophobicContact CG-CZ 4.36Å |
| 128 | R | 72.9 | Confident | 70.1 | Confident | 104 Ų | 104 | 81.4 Ų | 81.4 | 39% | 0.392 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 109.2 | 175.8 | 178.7 | -177.8 | -70.9 | -161.1 | 0.6 | 110.1 | T108 A109 A110 V111 L145 L146 | T108-R128 HydrophobicContact CG2-CB 4Å; A109-R128 PolarHBondContact O-N 3.29Å; A110-R128 WeakPolarHBondContact CA-O 3.17Å; V111-R128 PolarHBondContact N-O 3.38Å; R128-L145 HydrophobicContact CG-CD1 3.58Å; R128-L145 HydrophobicContact CG-CD2 4.26Å; R128-L145 HydrophobicContact CG-CG 3.97Å; R128-L146 WeakPolarHBondContact CA-O 3.44Å |
| 129 | L | 78.3 | Confident | 70.4 | Confident | 47 Ų | 47 | 82.6 Ų | 82.6 | 25% | 0.246 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.5 | 176.6 | 174.5 | 62.9 | 0 | 0 | 0 | 109.8 | V111 V131 L145 L146 | V111-L129 HydrophobicContact CB-CB 4.06Å; V111-L129 HydrophobicContact CB-CD1 3.97Å; V111-L129 HydrophobicContact CG1-CD1 3.92Å; V111-L129 HydrophobicContact CG2-CB 4.31Å; L129-V131 HydrophobicContact CD2-CG2 3.89Å; L129-V131 HydrophobicContact CG-CG2 3.81Å; L129-L145 CarbonylContact O-C 3.51Å; L129-L146 HydrophobicContact CB-CB 4.36Å; L129-L146 HydrophobicContact CD2-CD1 4.34Å; L129-L146 PolarHBondContact N-O 2.78Å; L129-L146 PolarHBondContact O-N 3.34Å |
| 130 | S | 77.9 | Confident | 71.1 | Confident | 67 Ų | 67 | 78 Ų | 78 | 47% | 0.469 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 105.6 | 174.5 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | P132 | S130-P132 WeakPolarHBondContact O-CD 3.49Å |
| 131 | V | 79 | Confident | 71.8 | Confident | 56 Ų | 56 | 80.7 Ų | 80.7 | 34% | 0.339 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 111 | -180 | -174.7 | 0 | 0 | 0 | 0 | 109.3 | L129 S143 I144 L146 | L129-V131 HydrophobicContact CD2-CG2 3.89Å; L129-V131 HydrophobicContact CG-CG2 3.81Å; V131-S143 CarbonylContact O-C 3.58Å; V131-S143 VanDerWaalsContact O-CA 3.26Å; V131-S143 WeakPolarHBondContact O-CA 3.42Å; V131-I144 PolarHBondContact N-O 3.05Å; V131-I144 PolarHBondContact O-N 2.88Å; V131-L146 HydrophobicContact CG2-CD1 3.78Å; V131-L146 HydrophobicContact CG2-CG 4.34Å |
| 132 | P | 79.3 | Confident | 72.8 | Confident | 105 Ų | 105 | 77.6 Ų | 77.6 | 68% | 0.682 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 140.8 | 171.2 | 30.2 | -33.4 | 0 | 0 | 0 | 110.6 | S130 R142 | S130-P132 WeakPolarHBondContact O-CD 3.49Å; P132-R142 CarbonylContact C-O 3.45Å; P132-R142 WeakPolarHBondContact CA-O 3.12Å |
| 133 | Y | 80.2 | Confident | 73.6 | Confident | 89 Ų | 89 | 79.6 Ų | 79.6 | 35% | 0.349 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 155 | 174 | 77.9 | -78.2 | 0 | 0 | 0 | 110.7 | D135 R142 I144 | Y133-D135 HydrophobicContact CD2-CB 4.45Å; Y133-D135 HydrophobicContact CE2-CB 3.75Å; Y133-R142 HydrophobicContact CD1-CB 4Å; Y133-R142 HydrophobicContact CE1-CB 3.38Å; Y133-R142 HydrophobicContact CE2-CB 4.38Å; Y133-R142 PolarHBondContact N-O 2.78Å; Y133-R142 PolarHBondContact O-N 2.99Å; Y133-R142 VanDerWaalsContact O-O 3.1Å; Y133-R142 WeakPolarHBondContact OH-CD 3.06Å; Y133-I144 HydrophobicContact CD1-CD1 4.07Å; Y133-I144 HydrophobicContact CD1-CG1 3.71Å; Y133-I144 HydrophobicContact CE1-CD1 4.05Å; Y133-I144 HydrophobicContact CE1-CG1 3.53Å |
| 134 | Y | 79.1 | Confident | 74.2 | Confident | 124 Ų | 124 | 80.2 Ų | 80.2 | 49% | 0.486 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 116.5 | 173.8 | -168.1 | -100.1 | 0 | 0 | 0 | 109.7 | V136 N139 N141 | Y134-V136 HydrophobicContact CD1-CG2 4.18Å; Y134-V136 PolarHBondContact O-N 3.13Å; Y134-N139 VanDerWaalsContact OH-C 3.28Å; Y134-N139 WeakPolarHBondContact OH-CA 3.47Å; Y134-N139 PolarHBondContact OH-O 2.7Å; Y134-N139 VanDerWaalsContact OH-O 3.12Å; Y134-N139 PolarHBondContact OH-OD1 2.9Å; Y134-N139 VanDerWaalsContact OH-OD1 3.11Å; Y134-N141 WeakPolarHBondContact CD2-OD1 3.21Å |
| 135 | D | 76.9 | Confident | 74.7 | Confident | 19 Ų | 19 | 84.7 Ų | 84.7 | 10% | 0.102 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 100.2 | 175.6 | -179.5 | 4.3 | 0 | 0 | 0 | 110.1 | Y133 L137 T138 N139 G140 R142 | Y133-D135 HydrophobicContact CD2-CB 4.45Å; Y133-D135 HydrophobicContact CE2-CB 3.75Å; D135-L137 PolarHBondContact O-N 2.98Å; D135-L137 VanDerWaalsContact O-N 3.15Å; D135-L137 WeakPolarHBondContact OD1-CB 3.49Å; D135-L137 PolarHBondContact OD1-N 3.46Å; D135-T138 VanDerWaalsContact CG-OG1 3.32Å; D135-T138 CarbonylContact O-C 3.58Å; D135-T138 PolarHBondContact O-N 2.98Å; D135-T138 PolarHBondContact OD2-OG1 3.01Å; D135-N139 PolarHBondContact O-N 3.39Å; D135-G140 PolarHBondContact N-O 3.37Å; D135-G140 PolarHBondContact O-N 2.98Å; D135-R142 HydrophobicContact CB-CG 4.18Å; D135-R142 WeakPolarHBondContact OD2-CD 3.16Å; D135-R142 IonicContact OD2-CZ 2.76Å; D135-R142 IonicContact OD2-NE 2.61Å; D135-R142 PolarHBondContact OD2-NE 2.9Å; D135-R142 IonicContact OD2-NH1 3.99Å; D135-R142 PolarHBondContact OD2-NH1 3.31Å |
| 136 | V | 77.6 | Confident | 75.2 | Confident | 116 Ų | 116 | 85 Ų | 85 | 70% | 0.703 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -26.8 | 179.3 | -173.7 | 0 | 0 | 0 | 0 | 112.5 | Y134 | Y134-V136 HydrophobicContact CD1-CG2 4.18Å; Y134-V136 PolarHBondContact O-N 3.13Å |
| 137 | L | 75.5 | Confident | 75.2 | Confident | 163 Ų | 163 | 89.8 Ų | 89.8 | 85% | 0.853 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -20.8 | 179.1 | -64.6 | 173.4 | 0 | 0 | 0 | 113.4 | D135 | D135-L137 PolarHBondContact O-N 2.98Å; D135-L137 VanDerWaalsContact O-N 3.15Å; D135-L137 WeakPolarHBondContact OD1-CB 3.49Å; D135-L137 PolarHBondContact OD1-N 3.46Å |
| 138 | T | 78 | Confident | 75 | Confident | 72 Ų | 72 | 93.8 Ų | 93.8 | 44% | 0.442 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | 6.2 | 177.5 | 63.7 | 0 | 0 | 0 | 0 | 113.9 | D135 G140 R142 | D135-T138 VanDerWaalsContact CG-OG1 3.32Å; D135-T138 CarbonylContact O-C 3.58Å; D135-T138 PolarHBondContact O-N 2.98Å; D135-T138 PolarHBondContact OD2-OG1 3.01Å; T138-G140 PolarHBondContact O-N 2.77Å; T138-R142 PolarHBondContact OG1-NE 3.34Å |
| 139 | N | 70.3 | Confident | 74.5 | Confident | 126 Ų | 126 | 92.1 Ų | 92.1 | 67% | 0.674 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 28.2 | 176 | -130.4 | 36.1 | 0 | 0 | 0 | 113.9 | Y134 D135 | Y134-N139 VanDerWaalsContact OH-C 3.28Å; Y134-N139 WeakPolarHBondContact OH-CA 3.47Å; Y134-N139 PolarHBondContact OH-O 2.7Å; Y134-N139 VanDerWaalsContact OH-O 3.12Å; Y134-N139 PolarHBondContact OH-OD1 2.9Å; Y134-N139 VanDerWaalsContact OH-OD1 3.11Å; D135-N139 PolarHBondContact O-N 3.39Å |
| 140 | G | 75.5 | Confident | 73.6 | Confident | 24 Ų | 24 | 94.7 Ų | 94.7 | 25% | 0.247 | 48% | 0.483 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 155.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | D135 T138 R142 | D135-G140 PolarHBondContact N-O 3.37Å; D135-G140 PolarHBondContact O-N 2.98Å; T138-G140 PolarHBondContact O-N 2.77Å; G140-R142 PolarHBondContact O-N 2.97Å |
| 141 | N | 76.8 | Confident | 72.5 | Confident | 137 Ų | 137 | 94.6 Ų | 94.6 | 73% | 0.733 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 124.1 | 173.6 | -71.6 | -19.3 | 0 | 0 | 0 | 110.1 | Y134 | Y134-N141 WeakPolarHBondContact CD2-OD1 3.21Å |
| 142 | R | 75.8 | Confident | 71.2 | Confident | 123 Ų | 123 | 96.9 Ų | 96.9 | 46% | 0.464 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 172.4 | 170 | -72.8 | -174.7 | 169 | -179.3 | -11.9 | 109.4 | P132 Y133 D135 T138 G140 | P132-R142 CarbonylContact C-O 3.45Å; P132-R142 WeakPolarHBondContact CA-O 3.12Å; Y133-R142 HydrophobicContact CD1-CB 4Å; Y133-R142 HydrophobicContact CE1-CB 3.38Å; Y133-R142 HydrophobicContact CE2-CB 4.38Å; Y133-R142 PolarHBondContact N-O 2.78Å; Y133-R142 PolarHBondContact O-N 2.99Å; Y133-R142 VanDerWaalsContact O-O 3.1Å; Y133-R142 WeakPolarHBondContact OH-CD 3.06Å; D135-R142 HydrophobicContact CB-CG 4.18Å; D135-R142 WeakPolarHBondContact OD2-CD 3.16Å; D135-R142 IonicContact OD2-CZ 2.76Å; D135-R142 IonicContact OD2-NE 2.61Å; D135-R142 PolarHBondContact OD2-NE 2.9Å; D135-R142 IonicContact OD2-NH1 3.99Å; D135-R142 PolarHBondContact OD2-NH1 3.31Å; T138-R142 PolarHBondContact OG1-NE 3.34Å; G140-R142 PolarHBondContact O-N 2.97Å |
| 143 | S | 74.9 | Confident | 70.2 | Confident | 75 Ų | 75 | 95.8 Ų | 95.8 | 52% | 0.524 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 142.6 | 170.7 | 55 | 0 | 0 | 0 | 0 | 111.6 | V131 | V131-S143 CarbonylContact O-C 3.58Å; V131-S143 VanDerWaalsContact O-CA 3.26Å; V131-S143 WeakPolarHBondContact O-CA 3.42Å |
| 144 | I | 69.6 | Low | 69.3 | Low | 85 Ų | 85 | 97.7 Ų | 97.7 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 125.4 | 170.2 | -61.1 | 176.1 | 0 | 0 | 0 | 107.4 | V131 Y133 L146 | V131-I144 PolarHBondContact N-O 3.05Å; V131-I144 PolarHBondContact O-N 2.88Å; Y133-I144 HydrophobicContact CD1-CD1 4.07Å; Y133-I144 HydrophobicContact CD1-CG1 3.71Å; Y133-I144 HydrophobicContact CE1-CD1 4.05Å; Y133-I144 HydrophobicContact CE1-CG1 3.53Å; I144-L146 HydrophobicContact CG2-CD2 3.81Å; I144-L146 HydrophobicContact CG2-CG 4.17Å; I144-L146 PolarHBondContact O-N 2.96Å |
| 145 | L | 73.2 | Confident | 68.5 | Low | 98 Ų | 98 | 97 Ų | 97 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 89.7 | 176.3 | -164.2 | 71.1 | 0 | 0 | 0 | 109.9 | R128 L129 | R128-L145 HydrophobicContact CG-CD1 3.58Å; R128-L145 HydrophobicContact CG-CD2 4.26Å; R128-L145 HydrophobicContact CG-CG 3.97Å; L129-L145 CarbonylContact O-C 3.51Å |
| 146 | L | 71.1 | Confident | 67.8 | Low | 62 Ų | 62 | 99.2 Ų | 99.2 | 33% | 0.325 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 130.3 | 173.6 | -61.4 | 177 | 0 | 0 | 0 | 109.4 | R128 L129 V131 I144 Y148 | R128-L146 WeakPolarHBondContact CA-O 3.44Å; L129-L146 HydrophobicContact CB-CB 4.36Å; L129-L146 HydrophobicContact CD2-CD1 4.34Å; L129-L146 PolarHBondContact N-O 2.78Å; L129-L146 PolarHBondContact O-N 3.34Å; V131-L146 HydrophobicContact CG2-CD1 3.78Å; V131-L146 HydrophobicContact CG2-CG 4.34Å; I144-L146 HydrophobicContact CG2-CD2 3.81Å; I144-L146 HydrophobicContact CG2-CG 4.17Å; I144-L146 PolarHBondContact O-N 2.96Å; L146-Y148 HydrophobicContact CB-CE2 3.96Å; L146-Y148 HydrophobicContact CD1-CE2 4.39Å |
| 147 | R | 66.9 | Low | 67 | Low | 150 Ų | 150 | 95 Ų | 95 | 57% | 0.566 | 48% | 0.483 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 109.8 | 171.1 | -165.1 | -164.3 | -54.5 | -166.4 | 6 | 109.2 | Y126 L127 | Y126-R147 HydrophobicContact CD1-CG 3.79Å; Y126-R147 HydrophobicContact CG-CG 4.27Å; L127-R147 CarbonylContact O-C 3.58Å; L127-R147 VanDerWaalsContact O-CA 3.31Å; L127-R147 WeakPolarHBondContact O-CA 3.43Å |
| 148 | Y | 65.8 | Low | 66.4 | Low | 128 Ų | 128 | 91 Ų | 91 | 50% | 0.502 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 142.4 | 167.6 | -58.2 | -95.8 | 0 | 0 | 0 | 108.1 | Y126 L127 L146 | Y126-Y148 CarbonylContact C-O 3.51Å; Y126-Y148 VanDerWaalsContact CA-O 3.23Å; Y126-Y148 WeakPolarHBondContact CA-O 3.23Å; L127-Y148 PolarHBondContact N-O 2.84Å; L127-Y148 PolarHBondContact O-N 2.86Å; L146-Y148 HydrophobicContact CB-CE2 3.96Å; L146-Y148 HydrophobicContact CD1-CE2 4.39Å |
| 149 | K | 63.6 | Low | 65.8 | Low | 69 Ų | 69 | 91.1 Ų | 91.1 | 30% | 0.3 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 135.4 | 167.3 | -168.4 | -176.1 | 179.8 | -146.8 | 0 | 107.9 | D125 Y126 D151 | D125-K149 CarbonylContact O-C 3.55Å; D125-K149 VanDerWaalsContact O-CA 3.3Å; D125-K149 WeakPolarHBondContact O-CA 3.27Å; D125-K149 VanDerWaalsContact O-CG 3.31Å; D125-K149 WeakPolarHBondContact O-CG 3.45Å; Y126-K149 HydrophobicContact CD1-CB 3.83Å; Y126-K149 HydrophobicContact CD1-CG 3.91Å; Y126-K149 HydrophobicContact CE1-CB 3.7Å; Y126-K149 HydrophobicContact CE1-CD 3.88Å; Y126-K149 HydrophobicContact CE1-CG 3.53Å; K149-D151 WeakPolarHBondContact CD-OD2 3.23Å; K149-D151 VanDerWaalsContact CE-OD1 3.24Å; K149-D151 WeakPolarHBondContact CE-OD1 3.39Å; K149-D151 IonicContact NZ-OD1 2.63Å; K149-D151 PolarHBondContact NZ-OD1 2.7Å; K149-D151 IonicContact NZ-OD2 3.67Å |
| 150 | F | 58.8 | Low | 65.6 | Low | 100 Ų | 100 | 87 Ų | 87 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | P | Polyproline II helix | trans | -94.6 | 128.2 | 163.3 | -76 | -63.2 | 0 | 0 | 0 | 108.2 | P124 D125 L127 | P124-F150 WeakPolarHBondContact O-CD2 3.33Å; D125-F150 PolarHBondContact O-N 3.42Å; L127-F150 HydrophobicContact CD1-CE2 3.51Å; L127-F150 HydrophobicContact CD1-CZ 3.82Å; L127-F150 HydrophobicContact CD2-CE2 4.2Å; L127-F150 HydrophobicContact CG-CD2 4.19Å; L127-F150 HydrophobicContact CG-CE2 3.56Å; L127-F150 HydrophobicContact CG-CZ 4.36Å |
| 151 | D | 54.9 | Low | 65.1 | Low | 66 Ų | 66 | 86.4 Ų | 86.4 | 35% | 0.353 | 43% | 0.427 | S | S | . | . | trans | -116.5 | 111.2 | 174.6 | -77.8 | -66.6 | 0 | 0 | 0 | 107.6 | K149 F157 | K149-D151 WeakPolarHBondContact CD-OD2 3.23Å; K149-D151 VanDerWaalsContact CE-OD1 3.24Å; K149-D151 WeakPolarHBondContact CE-OD1 3.39Å; K149-D151 IonicContact NZ-OD1 2.63Å; K149-D151 PolarHBondContact NZ-OD1 2.7Å; K149-D151 IonicContact NZ-OD2 3.67Å; D151-F157 HydrophobicContact CB-CB 4.21Å; D151-F157 HydrophobicContact CB-CD2 4.34Å; D151-F157 HydrophobicContact CB-CG 4.43Å; D151-F157 VanDerWaalsContact CG-CD2 3.41Å; D151-F157 VanDerWaalsContact OD1-CD2 3.3Å; D151-F157 WeakPolarHBondContact OD1-CD2 3.39Å; D151-F157 WeakPolarHBondContact OD2-CD2 3.2Å | ||
| 152 | T | 52 | Low | 64.7 | Low | 104 Ų | 104 | 81.5 Ų | 81.5 | 64% | 0.638 | 40% | 0.401 | S | S | * | . | trans | -101.3 | 3.2 | -174.2 | 46.3 | 0 | 0 | 0 | 0 | 114 | P123 | P123-T152 HydrophobicContact CG-CG2 3.76Š| ||
| 153 | N | 57.9 | Low | 64.4 | Low | 82 Ų | 82 | 76.5 Ų | 76.5 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | trans | -159.8 | 120.9 | -172.4 | -128.6 | -18 | 0 | 0 | 0 | 109.7 | N155 E156 F157 | N153-N155 VanDerWaalsContact C-N 3.28Å; N153-N155 PolarHBondContact O-N 2.85Å; N153-E156 HydrophobicContact CB-CB 4Å; N153-E156 HydrophobicContact CB-CG 3.98Å; N153-E156 WeakPolarHBondContact CB-OE2 3.34Å; N153-E156 VanDerWaalsContact ND2-CD 3.29Å; N153-E156 PolarHBondContact ND2-OE1 2.98Å; N153-E156 PolarHBondContact ND2-OE2 3.25Å; N153-E156 PolarHBondContact O-N 2.9Å; N153-F157 PolarHBondContact O-N 3.5Å | ||
| 154 | D | 60.4 | Low | 64.1 | Low | 129 Ų | 129 | 79 Ų | 79 | 69% | 0.69 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59.8 | -37.1 | -176.9 | -80.4 | -34.3 | 0 | 0 | 0 | 113 | R158 | D154-R158 WeakPolarHBondContact O-CB 3.15Å; D154-R158 WeakPolarHBondContact O-CG 3.46Å; D154-R158 PolarHBondContact O-N 3.2Å |
| 155 | N | 62.3 | Low | 64.1 | Low | 109 Ų | 109 | 77.6 Ų | 77.6 | 58% | 0.583 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -69.3 | -44.3 | -179.6 | -67.3 | -28.5 | 0 | 0 | 0 | 111.5 | N153 F157 R158 E159 | N153-N155 VanDerWaalsContact C-N 3.28Å; N153-N155 PolarHBondContact O-N 2.85Å; N155-F157 VanDerWaalsContact C-N 3.35Å; N155-F157 PolarHBondContact O-N 3Å; N155-R158 PolarHBondContact O-N 3.07Å; N155-E159 WeakPolarHBondContact O-CB 3.05Å; N155-E159 WeakPolarHBondContact O-CG 3.39Å; N155-E159 PolarHBondContact O-N 3.42Å |
| 156 | E | 62.4 | Low | 64 | Low | 66 Ų | 66 | 72.9 Ų | 72.9 | 31% | 0.308 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.5 | -36.6 | 178 | -64.1 | 170.2 | 159.9 | 0 | 0 | 111.2 | S102 N153 A160 | S102-E156 WeakPolarHBondContact CB-OE1 3.43Å; S102-E156 PolarHBondContact OG-OE1 3.08Å; N153-E156 HydrophobicContact CB-CB 4Å; N153-E156 HydrophobicContact CB-CG 3.98Å; N153-E156 WeakPolarHBondContact CB-OE2 3.34Å; N153-E156 VanDerWaalsContact ND2-CD 3.29Å; N153-E156 PolarHBondContact ND2-OE1 2.98Å; N153-E156 PolarHBondContact ND2-OE2 3.25Å; N153-E156 PolarHBondContact O-N 2.9Å; E156-A160 VanDerWaalsContact O-CB 3.25Å; E156-A160 WeakPolarHBondContact O-CB 3.47Å; E156-A160 PolarHBondContact O-N 3.4Å |
| 157 | F | 61.7 | Low | 64.1 | Low | 26 Ų | 26 | 72.1 Ų | 72.1 | 11% | 0.114 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.1 | -50.8 | 169.6 | 172.8 | -118.7 | 0 | 0 | 0 | 111.3 | A44 D151 N153 N155 E159 A160 L161 | A44-F157 HydrophobicContact CB-CE1 4.35Å; D151-F157 HydrophobicContact CB-CB 4.21Å; D151-F157 HydrophobicContact CB-CD2 4.34Å; D151-F157 HydrophobicContact CB-CG 4.43Å; D151-F157 VanDerWaalsContact CG-CD2 3.41Å; D151-F157 VanDerWaalsContact OD1-CD2 3.3Å; D151-F157 WeakPolarHBondContact OD1-CD2 3.39Å; D151-F157 WeakPolarHBondContact OD2-CD2 3.2Å; N153-F157 PolarHBondContact O-N 3.5Å; N155-F157 VanDerWaalsContact C-N 3.35Å; N155-F157 PolarHBondContact O-N 3Å; F157-E159 VanDerWaalsContact C-N 3.35Å; F157-E159 PolarHBondContact O-N 3.38Å; F157-A160 PolarHBondContact O-N 3.38Å; F157-L161 HydrophobicContact CE1-CD2 4.03Å; F157-L161 HydrophobicContact CE2-CD2 4.24Å; F157-L161 HydrophobicContact CZ-CD2 3.73Å; F157-L161 WeakPolarHBondContact O-CB 3.22Å; F157-L161 PolarHBondContact O-N 3.46Å |
| 158 | R | 63 | Low | 64.6 | Low | 80 Ų | 80 | 65.3 Ų | 65.3 | 30% | 0.302 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.6 | -39.8 | 179.4 | -73.2 | 170.8 | 75.9 | 114.2 | 11.6 | 112.4 | D154 N155 L162 | D154-R158 WeakPolarHBondContact O-CB 3.15Å; D154-R158 WeakPolarHBondContact O-CG 3.46Å; D154-R158 PolarHBondContact O-N 3.2Å; N155-R158 PolarHBondContact O-N 3.07Å; R158-L162 VanDerWaalsContact O-CB 3.25Å; R158-L162 WeakPolarHBondContact O-CB 3.37Å; R158-L162 PolarHBondContact O-N 2.88Å |
| 159 | E | 65.7 | Low | 65.3 | Low | 74 Ų | 74 | 62.1 Ų | 62.1 | 35% | 0.346 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -70.3 | -47.6 | 178.3 | -78.4 | 179.1 | -154.5 | 0 | 0 | 112.4 | T99 N155 F157 L161 L162 E163 | T99-E159 HydrophobicContact CG2-CB 4.12Å; T99-E159 HydrophobicContact CG2-CG 4.44Å; N155-E159 WeakPolarHBondContact O-CB 3.05Å; N155-E159 WeakPolarHBondContact O-CG 3.39Å; N155-E159 PolarHBondContact O-N 3.42Å; F157-E159 VanDerWaalsContact C-N 3.35Å; F157-E159 PolarHBondContact O-N 3.38Å; E159-L161 VanDerWaalsContact C-N 3.3Å; E159-L161 PolarHBondContact O-N 3.13Å; E159-L162 WeakPolarHBondContact O-CB 3.24Å; E159-L162 PolarHBondContact O-N 2.92Å; E159-E163 PolarHBondContact O-N 2.85Å |
| 160 | A | 64.4 | Low | 66.1 | Low | 41 Ų | 41 | 59.7 Ų | 59.7 | 34% | 0.339 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64 | -36.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E156 F157 E163 E164 | E156-A160 VanDerWaalsContact O-CB 3.25Å; E156-A160 WeakPolarHBondContact O-CB 3.47Å; E156-A160 PolarHBondContact O-N 3.4Å; F157-A160 PolarHBondContact O-N 3.38Å; A160-E163 PolarHBondContact O-N 3.04Å; A160-E164 WeakPolarHBondContact O-CB 3.28Å; A160-E164 PolarHBondContact O-N 2.89Å |
| 161 | L | 66.8 | Low | 67.2 | Low | 11 Ų | 11 | 61.1 Ų | 61.1 | 6% | 0.058 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.8 | -33.6 | 174.7 | -177 | 65 | 0 | 0 | 0 | 112.2 | L45 V48 F157 E159 K165 | L45-L161 HydrophobicContact CD2-CD1 3.83Å; L45-L161 HydrophobicContact CD2-CD2 3.8Å; L45-L161 HydrophobicContact CD2-CG 4.38Å; L45-L161 HydrophobicContact CG-CD2 4.41Å; V48-L161 HydrophobicContact CB-CD2 4.16Å; V48-L161 HydrophobicContact CB-CG 4.4Å; V48-L161 HydrophobicContact CG1-CD2 4.42Å; V48-L161 HydrophobicContact CG1-CG 4.12Å; V48-L161 HydrophobicContact CG2-CD2 3.96Å; V48-L161 HydrophobicContact CG2-CG 4.44Å; F157-L161 HydrophobicContact CE1-CD2 4.03Å; F157-L161 HydrophobicContact CE2-CD2 4.24Å; F157-L161 HydrophobicContact CZ-CD2 3.73Å; F157-L161 WeakPolarHBondContact O-CB 3.22Å; F157-L161 PolarHBondContact O-N 3.46Å; E159-L161 VanDerWaalsContact C-N 3.3Å; E159-L161 PolarHBondContact O-N 3.13Å; L161-K165 HydrophobicContact CD1-CD 4.13Å; L161-K165 HydrophobicContact CD1-CG 4.2Å; L161-K165 HydrophobicContact CG-CD 4.23Å; L161-K165 VanDerWaalsContact O-CB 3.3Å; L161-K165 WeakPolarHBondContact O-CB 3.41Å; L161-K165 WeakPolarHBondContact O-CG 3.46Å; L161-K165 PolarHBondContact O-N 3.06Å |
| 162 | L | 67.8 | Low | 68.6 | Low | 34 Ų | 34 | 60.4 Ų | 60.4 | 18% | 0.178 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 171.6 | -170.2 | 78.6 | 0 | 0 | 0 | 110.2 | V48 M51 N52 R158 E159 A166 | V48-L162 HydrophobicContact CG1-CB 4.21Å; V48-L162 HydrophobicContact CG1-CD1 3.93Å; M51-L162 HydrophobicContact CB-CD1 4.44Å; N52-L162 WeakPolarHBondContact OD1-CD1 3.5Å; R158-L162 VanDerWaalsContact O-CB 3.25Å; R158-L162 WeakPolarHBondContact O-CB 3.37Å; R158-L162 PolarHBondContact O-N 2.88Å; E159-L162 WeakPolarHBondContact O-CB 3.24Å; E159-L162 PolarHBondContact O-N 2.92Å; L162-A166 WeakPolarHBondContact O-CB 3.5Å; L162-A166 PolarHBondContact O-N 3.1Å |
| 163 | E | 68.7 | Low | 70 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.7 | -56.1 | 171.7 | -67.8 | -159.2 | 156.6 | 0 | 0 | 111 | I95 T99 E159 A160 K165 A166 T167 T420 Q422 | I95-E163 HydrophobicContact CG2-CG 4.39Å; T99-E163 WeakPolarHBondContact CB-OE1 3.08Å; T99-E163 HydrophobicContact CG2-CG 3.9Å; T99-E163 PolarHBondContact OG1-OE1 3.18Å; E159-E163 PolarHBondContact O-N 2.85Å; A160-E163 PolarHBondContact O-N 3.04Å; E163-K165 VanDerWaalsContact C-N 3.31Å; E163-K165 PolarHBondContact O-N 2.97Å; E163-A166 CarbonylContact O-C 3.42Å; E163-A166 PolarHBondContact O-N 2.9Å; E163-T167 WeakPolarHBondContact O-CG2 3.1Å; E163-T167 PolarHBondContact O-N 3.21Å; E163-T167 VanDerWaalsContact O-N 3.08Å; E163-T420 VanDerWaalsContact CA-CG2 3.41Å; E163-T420 HydrophobicContact CB-CG2 3.73Å; E163-T420 HydrophobicContact CG-CG2 4.16Å; E163-T420 WeakPolarHBondContact O-CG2 3.23Å; E163-Q422 PolarHBondContact OE2-NE2 2.75Å |
| 164 | E | 69.6 | Low | 71.1 | Confident | 128 Ų | 128 | 53.1 Ų | 53.1 | 60% | 0.598 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -52.8 | -48.3 | -177.6 | -173.1 | 172.8 | -164.4 | 0 | 0 | 111.5 | A160 A166 T167 | A160-E164 WeakPolarHBondContact O-CB 3.28Å; A160-E164 PolarHBondContact O-N 2.89Å; E164-A166 PolarHBondContact O-N 3Å; E164-T167 PolarHBondContact O-N 2.87Å; E164-T167 PolarHBondContact O-OG1 3.11Å |
| 165 | K | 69.8 | Low | 72.3 | Confident | 55 Ų | 55 | 49.9 Ų | 49.9 | 24% | 0.239 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -76.9 | -13.8 | 179.3 | -69.6 | -175.1 | 164.2 | -161.5 | 0 | 115.2 | L45 V48 D49 N52 L161 E163 | L45-K165 PolarHBondContact O-NZ 2.78Å; V48-K165 HydrophobicContact CG1-CD 4.07Å; D49-K165 WeakPolarHBondContact OD1-CD 3.49Å; D49-K165 WeakPolarHBondContact OD1-CE 3.29Å; D49-K165 IonicContact OD1-NZ 3.25Å; D49-K165 PolarHBondContact OD1-NZ 3.45Å; D49-K165 IonicContact OD2-NZ 3.68Å; D49-K165 PolarHBondContact OD2-NZ 2.84Å; N52-K165 WeakPolarHBondContact ND2-CB 3.12Å; L161-K165 HydrophobicContact CD1-CD 4.13Å; L161-K165 HydrophobicContact CD1-CG 4.2Å; L161-K165 HydrophobicContact CG-CD 4.23Å; L161-K165 VanDerWaalsContact O-CB 3.3Å; L161-K165 WeakPolarHBondContact O-CB 3.41Å; L161-K165 WeakPolarHBondContact O-CG 3.46Å; L161-K165 PolarHBondContact O-N 3.06Å; E163-K165 VanDerWaalsContact C-N 3.31Å; E163-K165 PolarHBondContact O-N 2.97Å |
| 166 | A | 70.6 | Confident | 73.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -96.4 | 2.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y56 L162 E163 E164 V416 T420 | Y56-A166 PolarHBondContact OH-O 3.44Å; L162-A166 WeakPolarHBondContact O-CB 3.5Å; L162-A166 PolarHBondContact O-N 3.1Å; E163-A166 CarbonylContact O-C 3.42Å; E163-A166 PolarHBondContact O-N 2.9Å; E164-A166 PolarHBondContact O-N 3Å; A166-V416 HydrophobicContact CB-CG1 4.31Å; A166-T420 HydrophobicContact CB-CG2 4.08Å |
| 167 | T | 74.3 | Confident | 74.3 | Confident | 46 Ų | 46 | 42.6 Ų | 42.6 | 28% | 0.282 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -71.6 | 159.3 | 162.4 | 69.3 | 0 | 0 | 0 | 0 | 111.4 | E163 E164 D169 Y413 T420 | E163-T167 WeakPolarHBondContact O-CG2 3.1Å; E163-T167 PolarHBondContact O-N 3.21Å; E163-T167 VanDerWaalsContact O-N 3.08Å; E164-T167 PolarHBondContact O-N 2.87Å; E164-T167 PolarHBondContact O-OG1 3.11Å; T167-D169 PolarHBondContact O-N 2.78Å; T167-Y413 VanDerWaalsContact O-CE2 3.26Å; T167-Y413 WeakPolarHBondContact O-CE2 3.19Å; T167-Y413 PolarHBondContact O-OH 3.4Å; T167-T420 HydrophobicContact CG2-CG2 4.19Å |
| 168 | F | 76.4 | Confident | 75.3 | Confident | 6 Ų | 6 | 41.9 Ų | 41.9 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -78 | 116.1 | -177.2 | -175.8 | -81.3 | 0 | 0 | 0 | 112.4 | F173 Y413 I414 S417 F506 A507 I510 | F168-F173 HydrophobicContact CE1-CB 3.77Å; F168-F173 HydrophobicContact CE1-CG 4.2Å; F168-F173 HydrophobicContact CZ-CB 3.57Å; F168-F173 HydrophobicContact CZ-CD1 4.48Å; F168-F173 AromaticContact CZ-CD2 3.95Å; F168-F173 HydrophobicContact CZ-CD2 3.95Å; F168-F173 AromaticContact CZ-CG 3.73Å; F168-F173 HydrophobicContact CZ-CG 3.73Å; F168-Y413 HydrophobicContact CB-CE2 4.38Å; F168-Y413 AromaticContact CD2-CD1 3.52Å; F168-Y413 HydrophobicContact CD2-CD1 3.52Å; F168-Y413 HydrophobicContact CD2-CD2 4.29Å; F168-Y413 AromaticContact CD2-CE1 3.93Å; F168-Y413 HydrophobicContact CD2-CE1 3.93Å; F168-Y413 AromaticContact CD2-CG 3.73Å; F168-Y413 HydrophobicContact CD2-CG 3.73Å; F168-Y413 AromaticContact CE2-CD1 3.87Å; F168-Y413 HydrophobicContact CE2-CD1 3.87Å; F168-Y413 HydrophobicContact CE2-CE1 4.45Å; F168-Y413 HydrophobicContact CE2-CG 4.33Å; F168-Y413 HydrophobicContact CG-CD1 4.29Å; F168-Y413 HydrophobicContact CG-CE1 4.26Å; F168-I414 HydrophobicContact CD2-CG1 4.08Å; F168-I414 HydrophobicContact CE2-CG1 3.78Å; F168-S417 WeakPolarHBondContact CB-OG 3.42Å; F168-S417 PolarHBondContact N-OG 2.98Å; F168-S417 VanDerWaalsContact N-OG 3.08Å; F168-F506 HydrophobicContact CB-CD1 4.48Å; F168-F506 HydrophobicContact CB-CE1 3.64Å; F168-F506 AromaticContact CD1-CD1 3.97Å; F168-F506 HydrophobicContact CD1-CD1 3.97Å; F168-F506 AromaticContact CD1-CE1 3.95Å; F168-F506 HydrophobicContact CD1-CE1 3.95Å; F168-F506 HydrophobicContact CD2-CD1 4.14Å; F168-F506 AromaticContact CD2-CE1 3.94Å; F168-F506 HydrophobicContact CD2-CE1 3.94Å; F168-F506 HydrophobicContact CE1-CD1 4.13Å; F168-F506 HydrophobicContact CE2-CD1 4.28Å; F168-F506 AromaticContact CG-CD1 3.97Å; F168-F506 HydrophobicContact CG-CD1 3.97Å; F168-F506 AromaticContact CG-CE1 3.61Å; F168-F506 HydrophobicContact CG-CE1 3.61Å; F168-F506 HydrophobicContact CZ-CD1 4.26Å; F168-A507 HydrophobicContact CE1-CB 3.75Å; F168-A507 HydrophobicContact CZ-CB 4.24Å; F168-I510 HydrophobicContact CB-CD1 4.05Å; F168-I510 HydrophobicContact CD1-CG2 4.15Å |
| 169 | D | 80.5 | Confident | 76.5 | Confident | 62 Ų | 62 | 38.3 Ų | 38.3 | 33% | 0.332 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -84.4 | 118.3 | 169.8 | -178.3 | 10.6 | 0 | 0 | 0 | 111.2 | T167 E171 I172 F173 Y413 | T167-D169 PolarHBondContact O-N 2.78Å; D169-E171 VanDerWaalsContact C-N 3.29Å; D169-E171 PolarHBondContact O-N 3Å; D169-E171 PolarHBondContact OD1-N 2.71Å; D169-I172 HydrophobicContact CB-CB 4.3Å; D169-I172 HydrophobicContact CB-CD1 4.07Å; D169-I172 HydrophobicContact CB-CG1 4.25Å; D169-I172 WeakPolarHBondContact OD2-CG1 3.43Å; D169-F173 PolarHBondContact O-N 3.43Å; D169-Y413 PolarHBondContact N-OH 2.84Å |
| 170 | S | 81.5 | Confident | 77.5 | Confident | 18 Ų | 18 | 34.9 Ų | 34.9 | 13% | 0.126 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65 | -29.2 | 174.8 | 67.2 | 0 | 0 | 0 | 0 | 113.4 | F173 F174 | S170-F173 WeakPolarHBondContact O-CB 3.45Å; S170-F173 PolarHBondContact O-N 2.73Å; S170-F174 WeakPolarHBondContact O-CD2 3.5Å; S170-F174 PolarHBondContact O-N 3.41Å |
| 171 | E | 81.6 | Confident | 78.5 | Confident | 130 Ų | 130 | 33.3 Ų | 33.3 | 61% | 0.607 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -72.1 | -42.4 | -179.7 | -62.7 | -166 | -175 | 0 | 0 | 111.5 | D169 F173 F174 N175 | D169-E171 VanDerWaalsContact C-N 3.29Å; D169-E171 PolarHBondContact O-N 3Å; D169-E171 PolarHBondContact OD1-N 2.71Å; E171-F173 VanDerWaalsContact C-N 3.28Å; E171-F173 PolarHBondContact O-N 3.02Å; E171-F174 PolarHBondContact O-N 3.13Å; E171-N175 VanDerWaalsContact O-CB 3.22Å; E171-N175 WeakPolarHBondContact O-CB 3.31Å; E171-N175 PolarHBondContact O-N 3.13Å; E171-N175 PolarHBondContact O-ND2 3.44Å |
| 172 | I | 82.8 | Confident | 79.4 | Confident | 50 Ų | 50 | 32.9 Ų | 32.9 | 26% | 0.256 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -58.1 | -41.7 | 169.1 | -69.2 | 171.9 | 0 | 0 | 0 | 110.6 | D169 I176 L177 | D169-I172 HydrophobicContact CB-CB 4.3Å; D169-I172 HydrophobicContact CB-CD1 4.07Å; D169-I172 HydrophobicContact CB-CG1 4.25Å; D169-I172 WeakPolarHBondContact OD2-CG1 3.43Å; I172-I176 WeakPolarHBondContact O-CA 3.4Å; I172-I176 VanDerWaalsContact O-CB 3.3Å; I172-I176 WeakPolarHBondContact O-CB 3.38Å; I172-I176 PolarHBondContact O-N 3.37Å; I172-L177 HydrophobicContact CG2-CD1 4.13Å; I172-L177 HydrophobicContact CG2-CG 4.19Å; I172-L177 PolarHBondContact O-N 3.48Å; I172-L177 VanDerWaalsContact O-N 3.12Å |
| 173 | F | 82.8 | Confident | 80.5 | Confident | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.018 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -61.3 | -54.9 | 177.1 | 172 | -103.4 | 0 | 0 | 0 | 112.8 | F168 D169 S170 E171 L177 L178 I410 A503 M504 A507 | F168-F173 HydrophobicContact CE1-CB 3.77Å; F168-F173 HydrophobicContact CE1-CG 4.2Å; F168-F173 HydrophobicContact CZ-CB 3.57Å; F168-F173 HydrophobicContact CZ-CD1 4.48Å; F168-F173 AromaticContact CZ-CD2 3.95Å; F168-F173 HydrophobicContact CZ-CD2 3.95Å; F168-F173 AromaticContact CZ-CG 3.73Å; F168-F173 HydrophobicContact CZ-CG 3.73Å; D169-F173 PolarHBondContact O-N 3.43Å; S170-F173 WeakPolarHBondContact O-CB 3.45Å; S170-F173 PolarHBondContact O-N 2.73Å; E171-F173 VanDerWaalsContact C-N 3.28Å; E171-F173 PolarHBondContact O-N 3.02Å; F173-L177 HydrophobicContact CD2-CB 4.44Å; F173-L177 PolarHBondContact O-N 2.92Å; F173-L178 HydrophobicContact CZ-CB 4.46Å; F173-L178 HydrophobicContact CZ-CD1 4.34Å; F173-L178 VanDerWaalsContact O-CB 3.26Å; F173-L178 WeakPolarHBondContact O-CB 3.21Å; F173-L178 PolarHBondContact O-N 2.95Å; F173-I410 HydrophobicContact CD2-CD1 4.34Å; F173-I410 HydrophobicContact CD2-CG1 4.29Å; F173-I410 HydrophobicContact CE2-CD1 4.06Å; F173-I410 HydrophobicContact CE2-CG1 4.39Å; F173-A503 HydrophobicContact CD2-CB 3.99Å; F173-A503 HydrophobicContact CE1-CB 4.47Å; F173-A503 HydrophobicContact CE2-CB 3.25Å; F173-A503 HydrophobicContact CZ-CB 3.54Å; F173-M504 HydrophobicContact CE1-CE 4.24Å; F173-M504 HydrophobicContact CE1-CG 4.39Å; F173-M504 HydrophobicContact CE1-SD 3.87Å; F173-M504 HydrophobicContact CZ-CE 4.3Å; F173-M504 HydrophobicContact CZ-CG 4.23Å; F173-M504 HydrophobicContact CZ-SD 4.21Å; F173-A507 HydrophobicContact CD1-CB 3.39Å; F173-A507 HydrophobicContact CE1-CB 3.76Å; F173-A507 HydrophobicContact CG-CB 4.15Å |
| 174 | F | 80.8 | Confident | 81.4 | Confident | 30 Ų | 30 | 31.5 Ų | 31.5 | 13% | 0.132 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -69.3 | -41.2 | -176 | -73.5 | -63.2 | 0 | 0 | 0 | 113.2 | S170 E171 L178 P179 I280 F358 I369 M504 A507 L508 | S170-F174 WeakPolarHBondContact O-CD2 3.5Å; S170-F174 PolarHBondContact O-N 3.41Å; E171-F174 PolarHBondContact O-N 3.13Å; F174-L178 HydrophobicContact CD1-CD2 4.11Å; F174-P179 WeakPolarHBondContact O-CD 3.42Å; F174-P179 WeakPolarHBondContact O-CG 3.46Å; F174-I280 HydrophobicContact CE1-CD1 4.27Å; F174-F358 WeakPolarHBondContact O-CZ 3.32Å; F174-I369 HydrophobicContact CD1-CD1 4.42Å; F174-M504 HydrophobicContact CE1-CE 4.31Å; F174-M504 HydrophobicContact CE1-SD 3.71Å; F174-M504 HydrophobicContact CZ-SD 4.45Å; F174-A507 HydrophobicContact CE2-CB 3.94Å; F174-A507 HydrophobicContact CZ-CB 3.94Å; F174-L508 HydrophobicContact CZ-CD2 4.12Å; F174-L508 HydrophobicContact CZ-CG 4.45Å |
| 175 | N | 84.7 | Confident | 81.9 | Confident | 60 Ų | 60 | 26.6 Ų | 26.6 | 32% | 0.321 | 14% | 0.14 | S | C | . | . | I | π-helix | trans | -87.4 | -29.2 | -172.6 | -62.6 | -40.4 | 0 | 0 | 0 | 113.6 | E171 Y355 F358 | E171-N175 VanDerWaalsContact O-CB 3.22Å; E171-N175 WeakPolarHBondContact O-CB 3.31Å; E171-N175 PolarHBondContact O-N 3.13Å; E171-N175 PolarHBondContact O-ND2 3.44Å; N175-Y355 WeakPolarHBondContact O-CE2 3.32Å; N175-Y355 PolarHBondContact O-OH 3.22Å; N175-F358 HydrophobicContact CB-CE1 4.24Å; N175-F358 WeakPolarHBondContact OD1-CE1 3.34Å |
| 176 | I | 83.6 | Confident | 82.7 | Confident | 14 Ų | 14 | 24 Ų | 24 | 7% | 0.072 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -116.5 | -53.5 | -170.4 | -66.6 | 172.5 | 0 | 0 | 0 | 112.4 | W2 I6 I172 P180 | W2-I176 HydrophobicContact CZ3-CG2 4.39Å; W2-I176 WeakPolarHBondContact CZ3-O 3.41Å; I6-I176 HydrophobicContact CD1-CG2 3.39Å; I6-I176 HydrophobicContact CG1-CG2 3.47Å; I6-I176 VanDerWaalsContact CG1-CG2 3.47Å; I172-I176 WeakPolarHBondContact O-CA 3.4Å; I172-I176 VanDerWaalsContact O-CB 3.3Å; I172-I176 WeakPolarHBondContact O-CB 3.38Å; I172-I176 PolarHBondContact O-N 3.37Å; I176-P180 VanDerWaalsContact O-CD 3.27Å; I176-P180 WeakPolarHBondContact O-CD 3.4Å |
| 177 | L | 83.4 | Confident | 83.5 | Confident | 9 Ų | 9 | 24.7 Ų | 24.7 | 5% | 0.047 | 13% | 0.131 | C | C | . | . | I | π-helix | trans | -77.8 | -40.6 | -169.1 | -60.8 | 174 | 0 | 0 | 0 | 112.5 | I172 F173 S406 F409 I410 Y413 | I172-L177 HydrophobicContact CG2-CD1 4.13Å; I172-L177 HydrophobicContact CG2-CG 4.19Å; I172-L177 PolarHBondContact O-N 3.48Å; I172-L177 VanDerWaalsContact O-N 3.12Å; F173-L177 HydrophobicContact CD2-CB 4.44Å; F173-L177 PolarHBondContact O-N 2.92Å; L177-S406 WeakPolarHBondContact O-CB 3.2Å; L177-S406 PolarHBondContact O-OG 3.12Å; L177-F409 HydrophobicContact CD1-CD1 3.71Å; L177-F409 HydrophobicContact CD1-CE1 3.85Å; L177-F409 HydrophobicContact CD2-CD1 3.68Å; L177-F409 HydrophobicContact CD2-CE1 4.11Å; L177-F409 HydrophobicContact CD2-CG 4.45Å; L177-F409 HydrophobicContact CG-CD1 4.38Å; L177-I410 HydrophobicContact CB-CD1 3.94Å; L177-I410 HydrophobicContact CB-CG1 3.98Å; L177-I410 HydrophobicContact CD1-CG1 3.87Å; L177-I410 HydrophobicContact CG-CG1 4.45Å; L177-Y413 HydrophobicContact CD1-CD1 4.5Å |
| 178 | L | 83.5 | Confident | 83.9 | Confident | 10 Ų | 10 | 25.5 Ų | 25.5 | 5% | 0.052 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -72.6 | -47.3 | -175.6 | 176.1 | 71.5 | 0 | 0 | 0 | 115.1 | F173 F174 I181 I182 I369 M504 | F173-L178 HydrophobicContact CZ-CB 4.46Å; F173-L178 HydrophobicContact CZ-CD1 4.34Å; F173-L178 VanDerWaalsContact O-CB 3.26Å; F173-L178 WeakPolarHBondContact O-CB 3.21Å; F173-L178 PolarHBondContact O-N 2.95Å; F174-L178 HydrophobicContact CD1-CD2 4.11Å; L178-I181 WeakPolarHBondContact O-CB 3.45Å; L178-I181 PolarHBondContact O-N 3.46Å; L178-I182 HydrophobicContact CD1-CD1 3.99Å; L178-I182 HydrophobicContact CD1-CG1 3.61Å; L178-I182 HydrophobicContact CG-CG1 3.94Å; L178-I182 PolarHBondContact O-N 3.06Å; L178-I369 HydrophobicContact CD2-CD1 3.78Å; L178-I369 HydrophobicContact CD2-CG1 3.76Å; L178-I369 HydrophobicContact CD2-CG2 4.36Å; L178-M504 HydrophobicContact CD1-CE 3.57Å; L178-M504 HydrophobicContact CD2-CE 3.26Å; L178-M504 HydrophobicContact CG-CE 4.03Å |
| 179 | P | 87.8 | Confident | 83.9 | Confident | 5 Ų | 5 | 25.7 Ų | 25.7 | 3% | 0.032 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.3 | -39.2 | -170 | -25.8 | 36.9 | 0 | 0 | 0 | 114.3 | F174 I181 I182 F183 Y355 F358 V372 | F174-P179 WeakPolarHBondContact O-CD 3.42Å; F174-P179 WeakPolarHBondContact O-CG 3.46Å; P179-I181 VanDerWaalsContact C-N 3.35Å; P179-I181 PolarHBondContact O-N 2.84Å; P179-I182 PolarHBondContact O-N 2.99Å; P179-F183 VanDerWaalsContact O-CB 3.3Å; P179-F183 WeakPolarHBondContact O-CB 3.39Å; P179-F183 PolarHBondContact O-N 3.07Å; P179-Y355 HydrophobicContact CB-CD2 4.44Å; P179-Y355 HydrophobicContact CB-CE2 4.5Å; P179-Y355 HydrophobicContact CG-CE2 4.46Å; P179-F358 HydrophobicContact CB-CD2 4.12Å; P179-F358 HydrophobicContact CB-CG 4.4Å; P179-F358 HydrophobicContact CG-CD1 4.42Å; P179-F358 HydrophobicContact CG-CD2 3.72Å; P179-F358 HydrophobicContact CG-CE1 4.43Å; P179-F358 HydrophobicContact CG-CE2 3.74Å; P179-F358 HydrophobicContact CG-CG 4.09Å; P179-F358 HydrophobicContact CG-CZ 4.11Å; P179-V372 HydrophobicContact CB-CG2 4.38Å; P179-V372 WeakPolarHBondContact O-CG1 3.34Å |
| 180 | P | 87.1 | Confident | 83.6 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 2% | 0.019 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.8 | -35.9 | 174.9 | -26.2 | 36.1 | 0 | 0 | 0 | 115.2 | W2 I176 N184 L402 | W2-P180 HydrophobicContact CD2-CG 4.19Å; W2-P180 HydrophobicContact CE3-CG 3.9Å; W2-P180 HydrophobicContact CH2-CG 3.65Å; W2-P180 HydrophobicContact CZ2-CG 3.93Å; W2-P180 HydrophobicContact CZ3-CG 3.62Å; I176-P180 VanDerWaalsContact O-CD 3.27Å; I176-P180 WeakPolarHBondContact O-CD 3.4Å; P180-N184 VanDerWaalsContact O-CB 3.28Å; P180-N184 WeakPolarHBondContact O-CB 3.36Å; P180-N184 PolarHBondContact O-N 2.73Å; P180-L402 HydrophobicContact CB-CD1 4.45Å; P180-L402 HydrophobicContact CB-CD2 3.51Å; P180-L402 HydrophobicContact CB-CG 3.55Å; P180-L402 HydrophobicContact CG-CD2 3.81Å; P180-L402 HydrophobicContact CG-CG 4.07Å |
| 181 | I | 84 | Confident | 83.4 | Confident | 7 Ų | 7 | 29.5 Ų | 29.5 | 4% | 0.036 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.7 | -51.9 | 179.6 | -66.2 | 175 | 0 | 0 | 0 | 109.5 | L178 P179 F183 N184 A185 V249 I410 | L178-I181 WeakPolarHBondContact O-CB 3.45Å; L178-I181 PolarHBondContact O-N 3.46Å; P179-I181 VanDerWaalsContact C-N 3.35Å; P179-I181 PolarHBondContact O-N 2.84Å; I181-F183 VanDerWaalsContact C-N 3.3Å; I181-F183 PolarHBondContact O-N 3.45Å; I181-N184 PolarHBondContact O-N 2.82Å; I181-A185 WeakPolarHBondContact O-CB 3.49Å; I181-A185 PolarHBondContact O-N 3.28Å; I181-V249 HydrophobicContact CG2-CB 4.49Å; I181-V249 HydrophobicContact CG2-CG1 4.18Å; I181-V249 HydrophobicContact CG2-CG2 3.39Å; I181-I410 HydrophobicContact CD1-CD1 3.56Å |
| 182 | I | 86.4 | Confident | 83 | Confident | 3 Ų | 3 | 29.5 Ų | 29.5 | 2% | 0.015 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.7 | -39.2 | 179.3 | -60.1 | -61.6 | 0 | 0 | 0 | 110.9 | L178 P179 G186 I369 V372 L373 | L178-I182 HydrophobicContact CD1-CD1 3.99Å; L178-I182 HydrophobicContact CD1-CG1 3.61Å; L178-I182 HydrophobicContact CG-CG1 3.94Å; L178-I182 PolarHBondContact O-N 3.06Å; P179-I182 PolarHBondContact O-N 2.99Å; I182-G186 PolarHBondContact O-N 3.02Å; I182-I369 HydrophobicContact CG1-CG2 4.24Å; I182-I369 HydrophobicContact CG2-CG2 4.41Å; I182-V372 HydrophobicContact CG2-CG1 4.44Å; I182-L373 HydrophobicContact CG2-CB 3.75Å; I182-L373 HydrophobicContact CG2-CD1 4.37Å |
| 183 | F | 90.4 | Very high | 82.8 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 1% | 0.013 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.2 | -52 | 173.2 | -174.3 | -89.1 | 0 | 0 | 0 | 111.8 | P179 I181 A185 G186 Y187 F350 S354 V372 F399 | P179-F183 VanDerWaalsContact O-CB 3.3Å; P179-F183 WeakPolarHBondContact O-CB 3.39Å; P179-F183 PolarHBondContact O-N 3.07Å; I181-F183 VanDerWaalsContact C-N 3.3Å; I181-F183 PolarHBondContact O-N 3.45Å; F183-A185 VanDerWaalsContact C-N 3.31Å; F183-A185 PolarHBondContact O-N 2.85Å; F183-G186 PolarHBondContact O-N 3.39Å; F183-Y187 AromaticContact CE1-CD2 3.94Å; F183-Y187 HydrophobicContact CE1-CD2 3.94Å; F183-Y187 AromaticContact CE1-CG 3.9Å; F183-Y187 HydrophobicContact CE1-CG 3.9Å; F183-Y187 AromaticContact CZ-CD2 3.99Å; F183-Y187 HydrophobicContact CZ-CD2 3.99Å; F183-Y187 HydrophobicContact CZ-CG 4.38Å; F183-Y187 WeakPolarHBondContact O-CB 3.5Å; F183-Y187 PolarHBondContact O-N 2.87Å; F183-F350 HydrophobicContact CE1-CE1 4.05Å; F183-F350 AromaticContact CZ-CE1 3.77Å; F183-F350 HydrophobicContact CZ-CE1 3.77Å; F183-F350 AromaticContact CZ-CZ 3.99Å; F183-F350 HydrophobicContact CZ-CZ 3.99Å; F183-S354 VanDerWaalsContact CE2-CB 3.41Å; F183-S354 WeakPolarHBondContact CE2-OG 3.16Å; F183-S354 VanDerWaalsContact CZ-OG 3.27Å; F183-S354 WeakPolarHBondContact CZ-OG 3.31Å; F183-V372 HydrophobicContact CB-CG1 3.64Å; F183-V372 HydrophobicContact CD2-CG1 4.2Å; F183-V372 HydrophobicContact CG-CG1 4.44Å; F183-F399 HydrophobicContact CB-CE1 4.45Å; F183-F399 AromaticContact CD1-CD1 3.54Å; F183-F399 HydrophobicContact CD1-CD1 3.54Å; F183-F399 AromaticContact CD1-CD2 3.88Å; F183-F399 HydrophobicContact CD1-CD2 3.88Å; F183-F399 AromaticContact CD1-CE1 3.44Å; F183-F399 HydrophobicContact CD1-CE1 3.44Å; F183-F399 VanDerWaalsContact CD1-CE1 3.44Å; F183-F399 AromaticContact CD1-CE2 3.81Å; F183-F399 HydrophobicContact CD1-CE2 3.81Å; F183-F399 AromaticContact CD1-CG 3.77Å; F183-F399 HydrophobicContact CD1-CG 3.77Å; F183-F399 AromaticContact CD1-CZ 3.58Å; F183-F399 HydrophobicContact CD1-CZ 3.58Å; F183-F399 HydrophobicContact CE1-CD1 4.17Å; F183-F399 AromaticContact CE1-CD2 3.64Å; F183-F399 HydrophobicContact CE1-CD2 3.64Å; F183-F399 AromaticContact CE1-CE1 3.98Å; F183-F399 HydrophobicContact CE1-CE1 3.98Å; F183-F399 AromaticContact CE1-CE2 3.44Å; F183-F399 HydrophobicContact CE1-CE2 3.44Å; F183-F399 VanDerWaalsContact CE1-CE2 3.44Å; F183-F399 HydrophobicContact CE1-CG 4.02Å; F183-F399 AromaticContact CE1-CZ 3.61Å; F183-F399 HydrophobicContact CE1-CZ 3.61Å; F183-F399 HydrophobicContact CG-CD1 4.42Å; F183-F399 HydrophobicContact CG-CE1 4.08Å; F183-F399 HydrophobicContact CG-CZ 4.33Å; F183-F399 HydrophobicContact CZ-CE2 4.28Å; F183-F399 HydrophobicContact CZ-CZ 4.37Å |
| 184 | N | 87.5 | Confident | 82.7 | Confident | 18 Ų | 18 | 29.6 Ų | 29.6 | 10% | 0.096 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.3 | -43.6 | -178.3 | 178.8 | 48.6 | 0 | 0 | 0 | 112 | P180 I181 Y187 S188 F399 N403 | P180-N184 VanDerWaalsContact O-CB 3.28Å; P180-N184 WeakPolarHBondContact O-CB 3.36Å; P180-N184 PolarHBondContact O-N 2.73Å; I181-N184 PolarHBondContact O-N 2.82Å; N184-Y187 PolarHBondContact O-N 2.91Å; N184-S188 WeakPolarHBondContact O-CB 3.24Å; N184-S188 PolarHBondContact O-N 2.89Å; N184-S188 PolarHBondContact O-OG 3.06Å; N184-F399 HydrophobicContact CB-CB 4.12Å; N184-N403 HydrophobicContact CB-CB 4.2Å; N184-N403 VanDerWaalsContact ND2-CB 3.35Å; N184-N403 WeakPolarHBondContact ND2-CB 3.28Å; N184-N403 PolarHBondContact ND2-OD1 3.11Å |
| 185 | A | 80.6 | Confident | 82.7 | Confident | 26 Ų | 26 | 29.4 Ų | 29.4 | 22% | 0.215 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.6 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I181 F183 L189 F269 | I181-A185 WeakPolarHBondContact O-CB 3.49Å; I181-A185 PolarHBondContact O-N 3.28Å; F183-A185 VanDerWaalsContact C-N 3.31Å; F183-A185 PolarHBondContact O-N 2.85Å; A185-L189 WeakPolarHBondContact O-CB 3.37Å; A185-L189 PolarHBondContact O-N 3.1Å; A185-F269 HydrophobicContact CB-CD2 4.31Å; A185-F269 HydrophobicContact CB-CE2 3.4Å; A185-F269 VanDerWaalsContact CB-CE2 3.4Å; A185-F269 HydrophobicContact CB-CZ 3.53Å |
| 186 | G | 85.4 | Confident | 82.6 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.2 | -36.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I182 F183 L189 I377 | I182-G186 PolarHBondContact O-N 3.02Å; F183-G186 PolarHBondContact O-N 3.39Å; G186-L189 VanDerWaalsContact O-CB 3.3Å; G186-L189 WeakPolarHBondContact O-CB 3.25Å; G186-I377 WeakPolarHBondContact O-CG1 3.4Å |
| 187 | Y | 89.1 | Confident | 82.5 | Confident | 15 Ų | 15 | 30.8 Ų | 30.8 | 6% | 0.059 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69 | -43.8 | 179.9 | -173.8 | -113.6 | 0 | 0 | 0 | 111.9 | F183 N184 L189 F350 A380 F384 T395 K396 | F183-Y187 AromaticContact CE1-CD2 3.94Å; F183-Y187 HydrophobicContact CE1-CD2 3.94Å; F183-Y187 AromaticContact CE1-CG 3.9Å; F183-Y187 HydrophobicContact CE1-CG 3.9Å; F183-Y187 AromaticContact CZ-CD2 3.99Å; F183-Y187 HydrophobicContact CZ-CD2 3.99Å; F183-Y187 HydrophobicContact CZ-CG 4.38Å; F183-Y187 WeakPolarHBondContact O-CB 3.5Å; F183-Y187 PolarHBondContact O-N 2.87Å; N184-Y187 PolarHBondContact O-N 2.91Å; Y187-L189 VanDerWaalsContact C-N 3.27Å; Y187-L189 PolarHBondContact O-N 2.96Å; Y187-F350 HydrophobicContact CD2-CZ 4.12Å; Y187-F350 HydrophobicContact CE2-CE1 4.08Å; Y187-F350 HydrophobicContact CE2-CE2 4.29Å; Y187-F350 AromaticContact CE2-CZ 3.41Å; Y187-F350 HydrophobicContact CE2-CZ 3.41Å; Y187-F350 VanDerWaalsContact CE2-CZ 3.41Å; Y187-F350 AromaticContact CZ-CZ 3.96Å; Y187-A380 HydrophobicContact CD2-CB 3.54Å; Y187-A380 HydrophobicContact CE2-CB 4.01Å; Y187-A380 HydrophobicContact CG-CB 4.22Å; Y187-A380 VanDerWaalsContact O-CB 3.23Å; Y187-A380 WeakPolarHBondContact O-CB 3.48Å; Y187-F384 HydrophobicContact CE2-CD2 4.48Å; Y187-F384 WeakPolarHBondContact OH-CD2 3.38Å; Y187-T395 PolarHBondContact OH-OG1 3.06Å; Y187-K396 HydrophobicContact CE1-CB 4.29Å |
| 188 | S | 81.5 | Confident | 82.6 | Confident | 63 Ų | 63 | 31.3 Ų | 31.3 | 44% | 0.441 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -78.9 | -3.5 | 179.2 | -64.3 | 0 | 0 | 0 | 0 | 114.4 | N184 | N184-S188 WeakPolarHBondContact O-CB 3.24Å; N184-S188 PolarHBondContact O-N 2.89Å; N184-S188 PolarHBondContact O-OG 3.06Å |
| 189 | L | 77.1 | Confident | 82.7 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 5% | 0.047 | 16% | 0.16 | C | C | . | . | trans | -67.4 | 138.8 | -169.9 | -169.4 | 60.1 | 0 | 0 | 0 | 114.6 | A185 G186 Y187 K191 F194 F265 F269 I377 | A185-L189 WeakPolarHBondContact O-CB 3.37Å; A185-L189 PolarHBondContact O-N 3.1Å; G186-L189 VanDerWaalsContact O-CB 3.3Å; G186-L189 WeakPolarHBondContact O-CB 3.25Å; Y187-L189 VanDerWaalsContact C-N 3.27Å; Y187-L189 PolarHBondContact O-N 2.96Å; L189-K191 WeakPolarHBondContact O-CG 3.34Å; L189-K191 PolarHBondContact O-N 2.56Å; L189-F194 HydrophobicContact CD1-CB 4.43Å; L189-F194 HydrophobicContact CD2-CB 3.68Å; L189-F194 HydrophobicContact CD2-CD1 3.91Å; L189-F194 HydrophobicContact CD2-CD2 3.69Å; L189-F194 HydrophobicContact CD2-CE1 4.43Å; L189-F194 HydrophobicContact CD2-CE2 4.21Å; L189-F194 HydrophobicContact CD2-CG 3.5Å; L189-F194 VanDerWaalsContact CD2-CG 3.5Å; L189-F194 HydrophobicContact CG-CB 4.09Å; L189-F194 HydrophobicContact CG-CG 4.4Å; L189-F265 HydrophobicContact CD1-CE1 4.24Å; L189-F269 HydrophobicContact CD1-CD1 3.54Å; L189-F269 HydrophobicContact CD1-CE1 3.79Å; L189-F269 HydrophobicContact CD2-CD1 4.25Å; L189-F269 HydrophobicContact CD2-CE1 3.84Å; L189-F269 HydrophobicContact CG-CD1 4.5Å; L189-F269 HydrophobicContact CG-CE1 4.33Å; L189-I377 HydrophobicContact CD2-CD1 3.85Å; L189-I377 HydrophobicContact CD2-CG1 4.02Å | ||
| 190 | K | 73.5 | Confident | 82.7 | Confident | 119 Ų | 119 | 32.6 Ų | 32.6 | 52% | 0.517 | 16% | 0.162 | S | C | . | . | trans | -73.2 | 68.6 | 169.4 | -68.9 | 174.5 | -177.5 | 164.8 | 0 | 111.3 | R192 H193 F194 A262 | K190-R192 VanDerWaalsContact C-N 3.31Å; K190-R192 PolarHBondContact O-N 2.61Å; K190-H193 PolarHBondContact O-N 3.17Å; K190-F194 PolarHBondContact O-N 3.35Å; K190-A262 HydrophobicContact CD-CB 3.71Å | ||
| 191 | K | 78.4 | Confident | 82.7 | Confident | 41 Ų | 41 | 32.5 Ų | 32.5 | 18% | 0.178 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -34.6 | -51.1 | -171.1 | -51.5 | -174.3 | 177.7 | 73.4 | 0 | 115.1 | L189 H193 F194 F195 I377 A380 H381 | L189-K191 WeakPolarHBondContact O-CG 3.34Å; L189-K191 PolarHBondContact O-N 2.56Å; K191-H193 VanDerWaalsContact C-N 3.29Å; K191-H193 PolarHBondContact O-N 3.34Å; K191-F194 PolarHBondContact O-N 2.82Å; K191-F194 VanDerWaalsContact O-N 3.14Å; K191-F195 WeakPolarHBondContact O-CD2 3.05Å; K191-F195 PolarHBondContact O-N 3.13Å; K191-I377 HydrophobicContact CD-CG2 4.5Å; K191-I377 WeakPolarHBondContact CE-O 3.25Å; K191-A380 VanDerWaalsContact CE-C 3.43Å; K191-A380 VanDerWaalsContact CE-CB 3.49Å; K191-A380 WeakPolarHBondContact CE-O 3.4Å; K191-A380 VanDerWaalsContact NZ-C 3.29Å; K191-A380 PolarHBondContact NZ-O 3.16Å; K191-H381 HydrophobicContact CD-CB 4.09Å |
| 192 | R | 73.6 | Confident | 82.9 | Confident | 131 Ų | 131 | 33.8 Ų | 33.8 | 49% | 0.494 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.6 | -33.6 | -178.7 | -172 | 177.1 | 178.3 | -163 | 1 | 113.9 | K190 R196 Y587 | K190-R192 VanDerWaalsContact C-N 3.31Å; K190-R192 PolarHBondContact O-N 2.61Å; R192-R196 VanDerWaalsContact O-CB 3.29Å; R192-R196 WeakPolarHBondContact O-CB 3.43Å; R192-R196 PolarHBondContact O-N 3.27Å; R192-Y587 PolarHBondContact NH2-OH 3.09Å; R192-Y587 VanDerWaalsContact NH2-OH 3.1Å |
| 193 | H | 78 | Confident | 83 | Confident | 55 Ų | 55 | 35.1 Ų | 35.1 | 26% | 0.255 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -77 | -40.2 | 176.1 | -69.3 | -97.1 | 0 | 0 | 0 | 111.8 | K190 K191 N197 A262 N263 A266 | K190-H193 PolarHBondContact O-N 3.17Å; K191-H193 VanDerWaalsContact C-N 3.29Å; K191-H193 PolarHBondContact O-N 3.34Å; H193-N197 WeakPolarHBondContact O-CB 3.21Å; H193-N197 PolarHBondContact O-N 2.99Å; H193-N197 VanDerWaalsContact O-N 3.13Å; H193-N197 PolarHBondContact O-ND2 2.7Å; H193-A262 HydrophobicContact CB-CB 4.35Å; H193-N263 PolarHBondContact ND1-OD1 2.96Å; H193-A266 HydrophobicContact CB-CB 4.15Å |
| 194 | F | 80.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.4 | -55 | 176.3 | -179.8 | -100.1 | 0 | 0 | 0 | 112.1 | L189 K190 K191 R196 N197 I198 I201 A266 F269 I377 | L189-F194 HydrophobicContact CD1-CB 4.43Å; L189-F194 HydrophobicContact CD2-CB 3.68Å; L189-F194 HydrophobicContact CD2-CD1 3.91Å; L189-F194 HydrophobicContact CD2-CD2 3.69Å; L189-F194 HydrophobicContact CD2-CE1 4.43Å; L189-F194 HydrophobicContact CD2-CE2 4.21Å; L189-F194 HydrophobicContact CD2-CG 3.5Å; L189-F194 VanDerWaalsContact CD2-CG 3.5Å; L189-F194 HydrophobicContact CG-CB 4.09Å; L189-F194 HydrophobicContact CG-CG 4.4Å; K190-F194 PolarHBondContact O-N 3.35Å; K191-F194 PolarHBondContact O-N 2.82Å; K191-F194 VanDerWaalsContact O-N 3.14Å; F194-R196 VanDerWaalsContact C-N 3.34Å; F194-R196 PolarHBondContact O-N 3.26Å; F194-N197 CarbonylContact O-C 3.57Å; F194-N197 WeakPolarHBondContact O-CA 3.22Å; F194-N197 PolarHBondContact O-N 3.43Å; F194-I198 HydrophobicContact CE1-CD1 3.91Å; F194-I198 HydrophobicContact CZ-CD1 4.01Å; F194-I198 PolarHBondContact O-N 3.24Å; F194-I201 HydrophobicContact CD2-CD1 3.63Å; F194-I201 HydrophobicContact CE2-CD1 3.81Å; F194-I201 HydrophobicContact CG-CD1 4.31Å; F194-A266 HydrophobicContact CB-CB 4.33Å; F194-F269 HydrophobicContact CE2-CD1 4.49Å; F194-I377 HydrophobicContact CD1-CD1 4.33Å; F194-I377 HydrophobicContact CE1-CD1 3.87Å; F194-I377 HydrophobicContact CZ-CD1 4.28Å |
| 195 | F | 81.8 | Confident | 82.8 | Confident | 26 Ų | 26 | 34.2 Ų | 34.2 | 11% | 0.114 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -69 | -28.3 | -179 | -74.4 | -78.7 | 0 | 0 | 0 | 113.6 | K191 N197 I198 F374 I377 W586 | K191-F195 WeakPolarHBondContact O-CD2 3.05Å; K191-F195 PolarHBondContact O-N 3.13Å; F195-N197 PolarHBondContact O-N 3.22Å; F195-I198 VanDerWaalsContact O-CG2 3.25Å; F195-I198 WeakPolarHBondContact O-CG2 3.46Å; F195-I198 PolarHBondContact O-N 3.02Å; F195-F374 HydrophobicContact CE1-CE1 4.48Å; F195-F374 HydrophobicContact CZ-CE1 4.46Å; F195-I377 HydrophobicContact CE2-CG2 3.67Å; F195-I377 HydrophobicContact CZ-CG2 3.91Å; F195-W586 HydrophobicContact CB-CD2 3.44Å; F195-W586 VanDerWaalsContact CB-CD2 3.44Å; F195-W586 HydrophobicContact CB-CE3 3.33Å; F195-W586 HydrophobicContact CB-CG 4.1Å; F195-W586 HydrophobicContact CB-CH2 3.92Å; F195-W586 HydrophobicContact CB-CZ2 4.01Å; F195-W586 HydrophobicContact CB-CZ3 3.59Å; F195-W586 AromaticContact CD1-CD1 3.88Å; F195-W586 AromaticContact CD1-CD2 3.91Å; F195-W586 HydrophobicContact CD1-CD2 3.91Å; F195-W586 AromaticContact CD1-CE2 3.55Å; F195-W586 HydrophobicContact CD1-CG 4.11Å; F195-W586 AromaticContact CD1-CZ2 3.99Å; F195-W586 HydrophobicContact CD1-CZ2 3.99Å; F195-W586 AromaticContact CD1-NE1 3.52Å; F195-W586 HydrophobicContact CD2-CD2 4.27Å; F195-W586 AromaticContact CD2-CE2 3.68Å; F195-W586 HydrophobicContact CD2-CE3 4.39Å; F195-W586 AromaticContact CD2-CH2 3.41Å; F195-W586 HydrophobicContact CD2-CH2 3.41Å; F195-W586 VanDerWaalsContact CD2-CH2 3.41Å; F195-W586 AromaticContact CD2-CZ2 3.22Å; F195-W586 HydrophobicContact CD2-CZ2 3.22Å; F195-W586 HydrophobicContact CD2-CZ3 4.01Å; F195-W586 AromaticContact CE1-CE2 3.99Å; F195-W586 HydrophobicContact CE1-CZ2 4.27Å; F195-W586 AromaticContact CE1-NE1 3.7Å; F195-W586 HydrophobicContact CE2-CH2 4.08Å; F195-W586 AromaticContact CE2-CZ2 3.55Å; F195-W586 HydrophobicContact CE2-CZ2 3.55Å; F195-W586 AromaticContact CG-CD2 3.62Å; F195-W586 HydrophobicContact CG-CD2 3.62Å; F195-W586 AromaticContact CG-CE2 3.37Å; F195-W586 AromaticContact CG-CE3 3.92Å; F195-W586 HydrophobicContact CG-CE3 3.92Å; F195-W586 HydrophobicContact CG-CG 4.27Å; F195-W586 AromaticContact CG-CH2 3.78Å; F195-W586 HydrophobicContact CG-CH2 3.78Å; F195-W586 AromaticContact CG-CZ2 3.47Å; F195-W586 HydrophobicContact CG-CZ2 3.47Å; F195-W586 VanDerWaalsContact CG-CZ2 3.47Å; F195-W586 AromaticContact CG-CZ3 4Å; F195-W586 HydrophobicContact CG-CZ3 4Å; F195-W586 AromaticContact CG-NE1 3.87Å; F195-W586 HydrophobicContact CZ-CZ2 4.07Å |
| 196 | R | 81.4 | Confident | 83.1 | Confident | 103 Ų | 103 | 33.5 Ų | 33.5 | 39% | 0.389 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -64.5 | -28.6 | 168.2 | -174.7 | 169.7 | 72.1 | 160.3 | 1.2 | 112.4 | R192 F194 N263 | R192-R196 VanDerWaalsContact O-CB 3.29Å; R192-R196 WeakPolarHBondContact O-CB 3.43Å; R192-R196 PolarHBondContact O-N 3.27Å; F194-R196 VanDerWaalsContact C-N 3.34Å; F194-R196 PolarHBondContact O-N 3.26Å; R196-N263 PolarHBondContact NH2-OD1 3.33Å |
| 197 | N | 82.6 | Confident | 83.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -96.1 | -2.5 | 179.7 | -72.7 | -22.1 | 0 | 0 | 0 | 114.1 | H193 F194 F195 G199 S200 I201 N263 L267 R457 | H193-N197 WeakPolarHBondContact O-CB 3.21Å; H193-N197 PolarHBondContact O-N 2.99Å; H193-N197 VanDerWaalsContact O-N 3.13Å; H193-N197 PolarHBondContact O-ND2 2.7Å; F194-N197 CarbonylContact O-C 3.57Å; F194-N197 WeakPolarHBondContact O-CA 3.22Å; F194-N197 PolarHBondContact O-N 3.43Å; F195-N197 PolarHBondContact O-N 3.22Å; N197-G199 VanDerWaalsContact C-N 3.26Å; N197-G199 PolarHBondContact O-N 3.19Å; N197-G199 VanDerWaalsContact O-N 3.1Å; N197-S200 PolarHBondContact O-N 2.7Å; N197-I201 HydrophobicContact CB-CD1 3.83Å; N197-I201 HydrophobicContact CB-CG1 4.25Å; N197-I201 WeakPolarHBondContact O-CG1 3.47Å; N197-I201 PolarHBondContact O-N 3.21Å; N197-N263 PolarHBondContact ND2-O 3.42Å; N197-L267 HydrophobicContact CB-CD2 3.98Å; N197-L267 HydrophobicContact CB-CG 4.35Å; N197-R457 PolarHBondContact OD1-NH1 2.9Å; N197-R457 PolarHBondContact OD1-NH2 3.2Å |
| 198 | I | 84.7 | Confident | 83.2 | Confident | 21 Ų | 21 | 38.3 Ų | 38.3 | 11% | 0.108 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -56.9 | -34.7 | -167.7 | -164.6 | 60.7 | 0 | 0 | 0 | 113.9 | F194 F195 I201 L202 P583 | F194-I198 HydrophobicContact CE1-CD1 3.91Å; F194-I198 HydrophobicContact CZ-CD1 4.01Å; F194-I198 PolarHBondContact O-N 3.24Å; F195-I198 VanDerWaalsContact O-CG2 3.25Å; F195-I198 WeakPolarHBondContact O-CG2 3.46Å; F195-I198 PolarHBondContact O-N 3.02Å; I198-I201 HydrophobicContact CD1-CG2 4.27Å; I198-I201 PolarHBondContact O-N 3.01Å; I198-L202 HydrophobicContact CD1-CG 4.44Å; I198-L202 HydrophobicContact CG1-CD1 4.13Å; I198-L202 HydrophobicContact CG1-CG 4.38Å; I198-L202 WeakPolarHBondContact O-CB 3.3Å; I198-L202 VanDerWaalsContact O-CG 3.28Å; I198-L202 WeakPolarHBondContact O-CG 3.07Å; I198-L202 PolarHBondContact O-N 3.41Å; I198-P583 HydrophobicContact CG2-CG 4.15Å |
| 199 | G | 85.8 | Confident | 83.5 | Confident | 33 Ų | 33 | 35.5 Ų | 35.5 | 34% | 0.34 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.8 | -43 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N197 V203 | N197-G199 VanDerWaalsContact C-N 3.26Å; N197-G199 PolarHBondContact O-N 3.19Å; N197-G199 VanDerWaalsContact O-N 3.1Å; G199-V203 WeakPolarHBondContact O-CG2 3.47Å; G199-V203 PolarHBondContact O-N 2.92Å; G199-V203 VanDerWaalsContact O-N 3.16Å |
| 200 | S | 88.4 | Confident | 84 | Confident | 9 Ų | 9 | 36.6 Ų | 36.6 | 6% | 0.063 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.6 | -41 | 174.7 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | N197 V203 Y204 R457 | N197-S200 PolarHBondContact O-N 2.7Å; S200-V203 PolarHBondContact O-N 3.49Å; S200-Y204 WeakPolarHBondContact O-CD2 3.28Å; S200-Y204 PolarHBondContact O-N 2.97Å; S200-R457 PolarHBondContact OG-NH1 2.95Å |
| 201 | I | 86.5 | Confident | 84.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.1 | -50.8 | 176 | -73.1 | 164.4 | 0 | 0 | 0 | 110.8 | F194 N197 I198 V203 Y204 A205 A266 L267 G270 L274 | F194-I201 HydrophobicContact CD2-CD1 3.63Å; F194-I201 HydrophobicContact CE2-CD1 3.81Å; F194-I201 HydrophobicContact CG-CD1 4.31Å; N197-I201 HydrophobicContact CB-CD1 3.83Å; N197-I201 HydrophobicContact CB-CG1 4.25Å; N197-I201 WeakPolarHBondContact O-CG1 3.47Å; N197-I201 PolarHBondContact O-N 3.21Å; I198-I201 HydrophobicContact CD1-CG2 4.27Å; I198-I201 PolarHBondContact O-N 3.01Å; I201-V203 VanDerWaalsContact C-N 3.29Å; I201-V203 PolarHBondContact O-N 3.26Å; I201-Y204 PolarHBondContact O-N 3.26Å; I201-A205 VanDerWaalsContact O-CB 3.23Å; I201-A205 WeakPolarHBondContact O-CB 3.49Å; I201-A205 PolarHBondContact O-N 3.14Å; I201-A266 VanDerWaalsContact CD1-O 3.28Å; I201-A266 WeakPolarHBondContact CD1-O 3.3Å; I201-L267 HydrophobicContact CG1-CD2 4.24Å; I201-G270 VanDerWaalsContact CG2-C 3.42Å; I201-G270 WeakPolarHBondContact CG2-O 3.28Å; I201-L274 HydrophobicContact CG2-CD1 3.87Å |
| 202 | L | 87.7 | Confident | 85.3 | Confident | 34 Ų | 34 | 32.3 Ų | 32.3 | 18% | 0.178 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -33.3 | 178 | -71.4 | 170.2 | 0 | 0 | 0 | 112.4 | I198 V206 L274 F316 | I198-L202 HydrophobicContact CD1-CG 4.44Å; I198-L202 HydrophobicContact CG1-CD1 4.13Å; I198-L202 HydrophobicContact CG1-CG 4.38Å; I198-L202 WeakPolarHBondContact O-CB 3.3Å; I198-L202 VanDerWaalsContact O-CG 3.28Å; I198-L202 WeakPolarHBondContact O-CG 3.07Å; I198-L202 PolarHBondContact O-N 3.41Å; L202-V206 WeakPolarHBondContact O-CB 3.3Å; L202-V206 WeakPolarHBondContact O-CG2 3.13Å; L202-V206 PolarHBondContact O-N 3.36Å; L202-L274 HydrophobicContact CD2-CD1 4.19Å; L202-F316 HydrophobicContact CD2-CE1 3.9Å; L202-F316 HydrophobicContact CD2-CE2 4.25Å; L202-F316 HydrophobicContact CD2-CZ 3.65Å |
| 203 | V | 89.5 | Confident | 86.1 | Confident | 32 Ų | 32 | 26.2 Ų | 26.2 | 19% | 0.194 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -68.7 | -44.7 | 175.9 | 167.7 | 0 | 0 | 0 | 0 | 111.9 | G199 S200 I201 F207 G208 L449 L453 | G199-V203 WeakPolarHBondContact O-CG2 3.47Å; G199-V203 PolarHBondContact O-N 2.92Å; G199-V203 VanDerWaalsContact O-N 3.16Å; S200-V203 PolarHBondContact O-N 3.49Å; I201-V203 VanDerWaalsContact C-N 3.29Å; I201-V203 PolarHBondContact O-N 3.26Å; V203-F207 HydrophobicContact CG1-CD2 4.45Å; V203-F207 HydrophobicContact CG2-CD2 4.4Å; V203-F207 WeakPolarHBondContact O-CA 2.75Å; V203-F207 WeakPolarHBondContact O-CB 3.43Å; V203-F207 PolarHBondContact O-N 2.97Å; V203-G208 PolarHBondContact O-N 2.93Å; V203-G208 VanDerWaalsContact O-N 3.1Å; V203-L449 HydrophobicContact CG1-CD2 4.09Å; V203-L453 HydrophobicContact CB-CD1 4.31Å; V203-L453 HydrophobicContact CB-CD2 4.09Å; V203-L453 HydrophobicContact CG1-CD1 4.03Å; V203-L453 HydrophobicContact CG1-CD2 4.14Å; V203-L453 HydrophobicContact CG1-CG 4.11Å; V203-L453 HydrophobicContact CG2-CD2 4.08Å |
| 204 | Y | 87.6 | Confident | 86.8 | Confident | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | I | π-helix | trans | -68 | -42.8 | 174.7 | -62.5 | -60 | 0 | 0 | 0 | 111.9 | S200 I201 G208 T209 L267 L449 T450 L453 I461 M469 | S200-Y204 WeakPolarHBondContact O-CD2 3.28Å; S200-Y204 PolarHBondContact O-N 2.97Å; I201-Y204 PolarHBondContact O-N 3.26Å; Y204-G208 WeakPolarHBondContact O-CA 3.35Å; Y204-G208 PolarHBondContact O-N 2.99Å; Y204-G208 VanDerWaalsContact O-N 3.07Å; Y204-T209 PolarHBondContact O-N 3.24Å; Y204-L267 HydrophobicContact CE2-CD2 4.24Å; Y204-L449 HydrophobicContact CD1-CB 4.33Å; Y204-L449 HydrophobicContact CD1-CD1 4.42Å; Y204-L449 HydrophobicContact CE1-CB 4.05Å; Y204-T450 WeakPolarHBondContact OH-CB 3.47Å; Y204-T450 WeakPolarHBondContact OH-CG2 3.35Å; Y204-T450 PolarHBondContact OH-OG1 3.38Å; Y204-L453 HydrophobicContact CD2-CD1 4.43Å; Y204-L453 HydrophobicContact CE1-CD1 4.02Å; Y204-L453 HydrophobicContact CE2-CD1 3.76Å; Y204-I461 HydrophobicContact CE2-CD1 4.21Å; Y204-I461 WeakPolarHBondContact OH-CD1 3.46Å; Y204-M469 HydrophobicContact CD1-CE 4.45Å; Y204-M469 HydrophobicContact CD2-CE 3.91Å; Y204-M469 HydrophobicContact CE1-CE 4.28Å; Y204-M469 HydrophobicContact CE2-CE 3.71Å; Y204-M469 HydrophobicContact CE2-SD 4.46Å; Y204-M469 HydrophobicContact CG-CE 4.28Å |
| 205 | A | 85.6 | Confident | 87.4 | Confident | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | I | π-helix | trans | -62.8 | -45.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I201 T209 L274 V278 | I201-A205 VanDerWaalsContact O-CB 3.23Å; I201-A205 WeakPolarHBondContact O-CB 3.49Å; I201-A205 PolarHBondContact O-N 3.14Å; A205-T209 WeakPolarHBondContact O-CB 3.35Å; A205-T209 WeakPolarHBondContact O-CG2 3.49Å; A205-T209 PolarHBondContact O-OG1 2.87Å; A205-L274 HydrophobicContact CB-CB 3.67Å; A205-V278 WeakPolarHBondContact O-CG2 3.13Å |
| 206 | V | 86.1 | Confident | 87.9 | Confident | 10 Ų | 10 | 28 Ų | 28 | 6% | 0.061 | 15% | 0.151 | C | C | . | . | I | π-helix | trans | -90.3 | -55.6 | -175.3 | -176.3 | 0 | 0 | 0 | 0 | 112.3 | L202 T209 S210 V278 F312 F313 | L202-V206 WeakPolarHBondContact O-CB 3.3Å; L202-V206 WeakPolarHBondContact O-CG2 3.13Å; L202-V206 PolarHBondContact O-N 3.36Å; V206-T209 PolarHBondContact O-OG1 2.88Å; V206-S210 VanDerWaalsContact O-CB 3.3Å; V206-S210 WeakPolarHBondContact O-CB 3.39Å; V206-S210 PolarHBondContact O-N 3.14Å; V206-S210 PolarHBondContact O-OG 3.47Å; V206-V278 HydrophobicContact CG2-CG2 4.25Å; V206-F312 HydrophobicContact CG1-CD1 4.35Å; V206-F312 HydrophobicContact CG1-CE1 4.4Å; V206-F312 HydrophobicContact CG2-CD1 4.12Å; V206-F312 HydrophobicContact CG2-CE1 3.37Å; V206-F312 HydrophobicContact CG2-CZ 3.87Å; V206-F313 HydrophobicContact CG1-CZ 4.42Å |
| 207 | F | 89.1 | Confident | 88.4 | Confident | 115 Ų | 115 | 23.1 Ų | 23.1 | 50% | 0.504 | 13% | 0.133 | S | C | . | . | I | π-helix | trans | -80.7 | -36.4 | -176.9 | -64.7 | -80 | 0 | 0 | 0 | 111.7 | V203 S210 I211 L449 | V203-F207 HydrophobicContact CG1-CD2 4.45Å; V203-F207 HydrophobicContact CG2-CD2 4.4Å; V203-F207 WeakPolarHBondContact O-CA 2.75Å; V203-F207 WeakPolarHBondContact O-CB 3.43Å; V203-F207 PolarHBondContact O-N 2.97Å; F207-S210 PolarHBondContact O-N 2.74Å; F207-I211 HydrophobicContact CB-CD1 4.45Å; F207-I211 VanDerWaalsContact O-CB 3.25Å; F207-I211 WeakPolarHBondContact O-CB 3.47Å; F207-I211 WeakPolarHBondContact O-CD1 3.29Å; F207-I211 WeakPolarHBondContact O-CG1 3.42Å; F207-I211 PolarHBondContact O-N 2.84Å; F207-L449 HydrophobicContact CB-CD1 4.47Å; F207-L449 HydrophobicContact CB-CD2 4.23Å |
| 208 | G | 88.5 | Confident | 88.9 | Confident | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -59.9 | -47.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V203 Y204 S212 L449 | V203-G208 PolarHBondContact O-N 2.93Å; V203-G208 VanDerWaalsContact O-N 3.1Å; Y204-G208 WeakPolarHBondContact O-CA 3.35Å; Y204-G208 PolarHBondContact O-N 2.99Å; Y204-G208 VanDerWaalsContact O-N 3.07Å; G208-S212 WeakPolarHBondContact O-CB 3.45Å; G208-S212 PolarHBondContact O-N 3.15Å; G208-S212 PolarHBondContact O-OG 2.96Å; G208-L449 VanDerWaalsContact CA-CD1 3.45Å |
| 209 | T | 87.8 | Confident | 89.3 | Confident | 5 Ų | 5 | 28.8 Ų | 28.8 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.8 | -41 | 176 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | Y204 A205 V206 I211 S212 C213 N275 V278 | Y204-T209 PolarHBondContact O-N 3.24Å; A205-T209 WeakPolarHBondContact O-CB 3.35Å; A205-T209 WeakPolarHBondContact O-CG2 3.49Å; A205-T209 PolarHBondContact O-OG1 2.87Å; V206-T209 PolarHBondContact O-OG1 2.88Å; T209-I211 VanDerWaalsContact C-N 3.32Å; T209-I211 PolarHBondContact O-N 3.1Å; T209-S212 WeakPolarHBondContact CA-OG 3.35Å; T209-S212 PolarHBondContact O-N 3.34Å; T209-S212 PolarHBondContact O-OG 3.34Å; T209-S212 VanDerWaalsContact O-OG 3.08Å; T209-C213 WeakPolarHBondContact O-CB 3.1Å; T209-C213 PolarHBondContact O-N 2.9Å; T209-N275 HydrophobicContact CG2-CB 3.29Å; T209-V278 WeakPolarHBondContact OG1-CG1 3.32Å |
| 210 | S | 88.2 | Confident | 89.6 | Confident | 32 Ų | 32 | 27.2 Ų | 27.2 | 22% | 0.224 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.5 | -41.9 | 178.5 | -60.5 | 0 | 0 | 0 | 0 | 110.7 | V206 F207 V214 | V206-S210 VanDerWaalsContact O-CB 3.3Å; V206-S210 WeakPolarHBondContact O-CB 3.39Å; V206-S210 PolarHBondContact O-N 3.14Å; V206-S210 PolarHBondContact O-OG 3.47Å; F207-S210 PolarHBondContact O-N 2.74Å; S210-V214 WeakPolarHBondContact O-CG2 3.14Å; S210-V214 PolarHBondContact O-N 2.6Å; S210-V214 VanDerWaalsContact O-N 3.13Å |
| 211 | I | 90.1 | Very high | 89.9 | Confident | 63 Ų | 63 | 31.4 Ų | 31.4 | 32% | 0.323 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -69.2 | -43.2 | 175.6 | -66.7 | 166.8 | 0 | 0 | 0 | 110.6 | F207 T209 C213 V214 L215 H445 L449 | F207-I211 HydrophobicContact CB-CD1 4.45Å; F207-I211 VanDerWaalsContact O-CB 3.25Å; F207-I211 WeakPolarHBondContact O-CB 3.47Å; F207-I211 WeakPolarHBondContact O-CD1 3.29Å; F207-I211 WeakPolarHBondContact O-CG1 3.42Å; F207-I211 PolarHBondContact O-N 2.84Å; T209-I211 VanDerWaalsContact C-N 3.32Å; T209-I211 PolarHBondContact O-N 3.1Å; I211-C213 PolarHBondContact O-N 2.89Å; I211-V214 PolarHBondContact O-N 3.31Å; I211-L215 HydrophobicContact CG2-CD1 3.62Å; I211-L215 HydrophobicContact CG2-CG 4.09Å; I211-L215 VanDerWaalsContact O-CB 3.32Å; I211-L215 WeakPolarHBondContact O-CB 3.43Å; I211-L215 VanDerWaalsContact O-CG 3.23Å; I211-L215 WeakPolarHBondContact O-CG 3.16Å; I211-L215 PolarHBondContact O-N 2.67Å; I211-H445 HydrophobicContact CB-CB 4.19Å; I211-H445 HydrophobicContact CG2-CB 3.82Å; I211-L449 HydrophobicContact CD1-CD1 4.36Å; I211-L449 HydrophobicContact CD1-CD2 4.16Å; I211-L449 HydrophobicContact CD1-CG 4.43Å |
| 212 | S | 89.1 | Confident | 90.2 | Very high | 6 Ų | 6 | 32.8 Ų | 32.8 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.8 | -38.1 | 177.3 | 66.3 | 0 | 0 | 0 | 0 | 112.6 | G208 T209 I216 S244 | G208-S212 WeakPolarHBondContact O-CB 3.45Å; G208-S212 PolarHBondContact O-N 3.15Å; G208-S212 PolarHBondContact O-OG 2.96Å; T209-S212 WeakPolarHBondContact CA-OG 3.35Å; T209-S212 PolarHBondContact O-N 3.34Å; T209-S212 PolarHBondContact O-OG 3.34Å; T209-S212 VanDerWaalsContact O-OG 3.08Å; S212-I216 WeakPolarHBondContact O-CB 3.35Å; S212-I216 WeakPolarHBondContact O-CD1 3.16Å; S212-I216 WeakPolarHBondContact O-CG1 3.31Å; S212-I216 PolarHBondContact O-N 2.83Å; S212-S244 WeakPolarHBondContact OG-CB 3.44Å; S212-S244 PolarHBondContact OG-OG 2.86Å |
| 213 | C | 90.6 | Very high | 90.4 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 2% | 0.02 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.1 | -51.4 | 174.3 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | T209 I211 G217 L237 A241 S244 L282 | T209-C213 WeakPolarHBondContact O-CB 3.1Å; T209-C213 PolarHBondContact O-N 2.9Å; I211-C213 PolarHBondContact O-N 2.89Å; C213-G217 PolarHBondContact O-N 3.26Å; C213-L237 PolarHBondContact SG-O 2.93Å; C213-A241 PolarHBondContact SG-N 2.91Å; C213-A241 VanDerWaalsContact SG-N 3.38Å; C213-S244 PolarHBondContact N-OG 3.16Å; C213-L282 HydrophobicContact CB-CD1 4.15Å |
| 214 | V | 91.2 | Very high | 90.6 | Very high | 71 Ų | 71 | 31.2 Ų | 31.2 | 43% | 0.43 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.8 | -46.4 | 179.4 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | S210 I211 G217 I218 L237 | S210-V214 WeakPolarHBondContact O-CG2 3.14Å; S210-V214 PolarHBondContact O-N 2.6Å; S210-V214 VanDerWaalsContact O-N 3.13Å; I211-V214 PolarHBondContact O-N 3.31Å; V214-G217 PolarHBondContact O-N 2.89Å; V214-I218 HydrophobicContact CG1-CD1 3.63Å; V214-I218 HydrophobicContact CG1-CG1 4.42Å; V214-I218 WeakPolarHBondContact O-CB 3.48Å; V214-I218 VanDerWaalsContact O-CG1 3.27Å; V214-I218 WeakPolarHBondContact O-CG1 3.36Å; V214-I218 PolarHBondContact O-N 2.95Å; V214-L237 HydrophobicContact CG2-CD2 4.4Å |
| 215 | L | 92.5 | Very high | 90.7 | Very high | 46 Ų | 46 | 34.4 Ų | 34.4 | 24% | 0.241 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.7 | -46.4 | 179.5 | -71.7 | 176.2 | 0 | 0 | 0 | 112.3 | I211 I218 I219 L444 | I211-L215 HydrophobicContact CG2-CD1 3.62Å; I211-L215 HydrophobicContact CG2-CG 4.09Å; I211-L215 VanDerWaalsContact O-CB 3.32Å; I211-L215 WeakPolarHBondContact O-CB 3.43Å; I211-L215 VanDerWaalsContact O-CG 3.23Å; I211-L215 WeakPolarHBondContact O-CG 3.16Å; I211-L215 PolarHBondContact O-N 2.67Å; L215-I218 PolarHBondContact O-N 3.12Å; L215-I219 WeakPolarHBondContact O-CB 3.34Å; L215-I219 WeakPolarHBondContact O-CD1 3.23Å; L215-I219 WeakPolarHBondContact O-CG1 3.32Å; L215-I219 PolarHBondContact O-N 3.16Å; L215-L444 HydrophobicContact CD1-CB 3.52Å; L215-L444 HydrophobicContact CD1-CD1 4.2Å |
| 216 | I | 92.3 | Very high | 91 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.2 | -44.3 | 177.8 | -67 | 167.7 | 0 | 0 | 0 | 109.7 | S212 I218 I219 M220 F239 I243 A437 | S212-I216 WeakPolarHBondContact O-CB 3.35Å; S212-I216 WeakPolarHBondContact O-CD1 3.16Å; S212-I216 WeakPolarHBondContact O-CG1 3.31Å; S212-I216 PolarHBondContact O-N 2.83Å; I216-I218 PolarHBondContact O-N 3.2Å; I216-I219 PolarHBondContact O-N 2.76Å; I216-M220 HydrophobicContact CG2-CG 4.12Å; I216-M220 VanDerWaalsContact O-CB 3.26Å; I216-M220 WeakPolarHBondContact O-CB 3.3Å; I216-M220 WeakPolarHBondContact O-CG 3.45Å; I216-M220 PolarHBondContact O-N 2.91Å; I216-F239 HydrophobicContact CG2-CD1 4.17Å; I216-F239 HydrophobicContact CG2-CE1 4.43Å; I216-I243 HydrophobicContact CD1-CG2 3.85Å; I216-I243 HydrophobicContact CG2-CG2 3.95Å; I216-A437 HydrophobicContact CG2-CB 4.27Å |
| 217 | G | 92.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.1 | -38.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | C213 V214 Y221 T236 | C213-G217 PolarHBondContact O-N 3.26Å; V214-G217 PolarHBondContact O-N 2.89Å; G217-Y221 VanDerWaalsContact O-CB 3.29Å; G217-Y221 WeakPolarHBondContact O-CB 3.18Å; G217-Y221 PolarHBondContact O-N 2.87Å; G217-T236 VanDerWaalsContact CA-O 3.22Å; G217-T236 WeakPolarHBondContact CA-O 3.18Å; G217-T236 WeakPolarHBondContact O-CB 3.48Å; G217-T236 PolarHBondContact O-OG1 2.95Å |
| 218 | I | 92.8 | Very high | 91 | Very high | 97 Ų | 97 | 41 Ų | 41 | 50% | 0.497 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -69.6 | -46 | 175.3 | -69.7 | 170.1 | 0 | 0 | 0 | 111.4 | V214 L215 I216 M220 Y221 G222 | V214-I218 HydrophobicContact CG1-CD1 3.63Å; V214-I218 HydrophobicContact CG1-CG1 4.42Å; V214-I218 WeakPolarHBondContact O-CB 3.48Å; V214-I218 VanDerWaalsContact O-CG1 3.27Å; V214-I218 WeakPolarHBondContact O-CG1 3.36Å; V214-I218 PolarHBondContact O-N 2.95Å; L215-I218 PolarHBondContact O-N 3.12Å; I216-I218 PolarHBondContact O-N 3.2Å; I218-M220 VanDerWaalsContact C-N 3.32Å; I218-M220 PolarHBondContact O-N 2.9Å; I218-Y221 PolarHBondContact O-N 2.98Å; I218-G222 PolarHBondContact O-N 3.14Å |
| 219 | I | 93.1 | Very high | 91 | Very high | 43 Ų | 43 | 42.6 Ų | 42.6 | 22% | 0.221 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 178.4 | -63.7 | 163.2 | 0 | 0 | 0 | 110 | L215 I216 G222 V223 A437 L440 | L215-I219 WeakPolarHBondContact O-CB 3.34Å; L215-I219 WeakPolarHBondContact O-CD1 3.23Å; L215-I219 WeakPolarHBondContact O-CG1 3.32Å; L215-I219 PolarHBondContact O-N 3.16Å; I216-I219 PolarHBondContact O-N 2.76Å; I219-G222 PolarHBondContact O-N 2.97Å; I219-V223 WeakPolarHBondContact O-CG2 3.35Å; I219-V223 PolarHBondContact O-N 2.87Å; I219-A437 HydrophobicContact CB-CB 3.82Å; I219-A437 HydrophobicContact CD1-CB 4.44Å; I219-A437 HydrophobicContact CG2-CB 3.56Å; I219-L440 HydrophobicContact CD1-CB 4.03Å; I219-L440 HydrophobicContact CD1-CD1 4.33Å |
| 220 | M | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.5 | -38.4 | 176.1 | -71.3 | -57.3 | -61.8 | 0 | 0 | 112.7 | I216 I218 G222 V223 T224 T236 F239 F430 A434 A437 | I216-M220 HydrophobicContact CG2-CG 4.12Å; I216-M220 VanDerWaalsContact O-CB 3.26Å; I216-M220 WeakPolarHBondContact O-CB 3.3Å; I216-M220 WeakPolarHBondContact O-CG 3.45Å; I216-M220 PolarHBondContact O-N 2.91Å; I218-M220 VanDerWaalsContact C-N 3.32Å; I218-M220 PolarHBondContact O-N 2.9Å; M220-G222 VanDerWaalsContact C-N 3.3Å; M220-G222 PolarHBondContact O-N 3.49Å; M220-V223 PolarHBondContact O-N 2.83Å; M220-T224 WeakPolarHBondContact O-CG2 3.29Å; M220-T224 PolarHBondContact O-N 3Å; M220-T224 PolarHBondContact O-OG1 3.07Å; M220-T236 HydrophobicContact CB-CG2 4.29Å; M220-F239 HydrophobicContact CE-CE1 4.34Å; M220-F239 HydrophobicContact CG-CD1 3.95Å; M220-F239 HydrophobicContact CG-CE1 4.19Å; M220-F239 HydrophobicContact SD-CE1 4.41Å; M220-F430 HydrophobicContact CE-CD1 3.67Å; M220-F430 HydrophobicContact CE-CD2 3.58Å; M220-F430 HydrophobicContact CE-CE1 3.56Å; M220-F430 HydrophobicContact CE-CE2 3.46Å; M220-F430 VanDerWaalsContact CE-CE2 3.46Å; M220-F430 HydrophobicContact CE-CG 3.68Å; M220-F430 HydrophobicContact CE-CZ 3.45Å; M220-F430 VanDerWaalsContact CE-CZ 3.45Å; M220-A434 HydrophobicContact CE-CB 4.23Å; M220-A434 WeakPolarHBondContact SD-CA 3.47Å; M220-A434 HydrophobicContact SD-CB 4.03Å; M220-A434 PolarHBondContact SD-N 3.47Å; M220-A437 HydrophobicContact CG-CB 4.07Å; M220-A437 HydrophobicContact SD-CB 3.98Å |
| 221 | Y | 93.5 | Very high | 90.9 | Very high | 98 Ų | 98 | 46.3 Ų | 46.3 | 38% | 0.384 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 172.7 | -172.1 | -102.7 | 0 | 0 | 0 | 112.1 | G217 I218 T224 S225 L233 T236 | G217-Y221 VanDerWaalsContact O-CB 3.29Å; G217-Y221 WeakPolarHBondContact O-CB 3.18Å; G217-Y221 PolarHBondContact O-N 2.87Å; I218-Y221 PolarHBondContact O-N 2.98Å; Y221-T224 WeakPolarHBondContact CA-OG1 3.32Å; Y221-T224 PolarHBondContact O-OG1 3.05Å; Y221-T224 VanDerWaalsContact O-OG1 3.09Å; Y221-S225 VanDerWaalsContact O-CB 3.27Å; Y221-S225 WeakPolarHBondContact O-CB 3.42Å; Y221-S225 PolarHBondContact O-N 3.4Å; Y221-S225 PolarHBondContact O-OG 3Å; Y221-L233 HydrophobicContact CD1-CD1 4.43Å; Y221-L233 HydrophobicContact CD2-CB 4.05Å; Y221-L233 HydrophobicContact CD2-CD1 4.17Å; Y221-L233 HydrophobicContact CE2-CB 4.1Å; Y221-L233 HydrophobicContact CG-CD1 3.93Å; Y221-T236 HydrophobicContact CD2-CG2 4.44Å |
| 222 | G | 93.2 | Very high | 90.8 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.5 | -48 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I218 I219 M220 S225 I226 | I218-G222 PolarHBondContact O-N 3.14Å; I219-G222 PolarHBondContact O-N 2.97Å; M220-G222 VanDerWaalsContact C-N 3.3Å; M220-G222 PolarHBondContact O-N 3.49Å; G222-S225 PolarHBondContact O-N 3.24Å; G222-I226 WeakPolarHBondContact O-CD1 3.49Å; G222-I226 VanDerWaalsContact O-CG1 3.25Å; G222-I226 WeakPolarHBondContact O-CG1 3.42Å; G222-I226 PolarHBondContact O-N 2.76Å |
| 223 | V | 92.4 | Very high | 90.8 | Very high | 31 Ų | 31 | 48.9 Ų | 48.9 | 19% | 0.188 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 177.1 | 174.4 | 0 | 0 | 0 | 0 | 111.7 | I219 M220 S225 I226 V227 | I219-V223 WeakPolarHBondContact O-CG2 3.35Å; I219-V223 PolarHBondContact O-N 2.87Å; M220-V223 PolarHBondContact O-N 2.83Å; V223-S225 VanDerWaalsContact C-N 3.3Å; V223-S225 PolarHBondContact O-N 3.47Å; V223-I226 PolarHBondContact O-N 2.98Å; V223-V227 HydrophobicContact CG1-CG2 4.18Å; V223-V227 WeakPolarHBondContact O-CB 3.34Å; V223-V227 WeakPolarHBondContact O-CG2 3.41Å; V223-V227 PolarHBondContact O-N 3.13Å |
| 224 | T | 91.9 | Very high | 90.6 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.1 | -37.2 | 179.4 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | M220 Y221 V227 G228 L229 F231 T236 F430 | M220-T224 WeakPolarHBondContact O-CG2 3.29Å; M220-T224 PolarHBondContact O-N 3Å; M220-T224 PolarHBondContact O-OG1 3.07Å; Y221-T224 WeakPolarHBondContact CA-OG1 3.32Å; Y221-T224 PolarHBondContact O-OG1 3.05Å; Y221-T224 VanDerWaalsContact O-OG1 3.09Å; T224-V227 PolarHBondContact O-N 3.46Å; T224-G228 PolarHBondContact O-N 3.25Å; T224-L229 HydrophobicContact CG2-CB 4.22Å; T224-L229 HydrophobicContact CG2-CD1 4.36Å; T224-L229 PolarHBondContact O-N 3.26Å; T224-F231 HydrophobicContact CG2-CB 3.9Å; T224-F231 HydrophobicContact CG2-CD2 3.54Å; T224-F231 HydrophobicContact CG2-CE2 4.21Å; T224-F231 HydrophobicContact CG2-CG 3.8Å; T224-T236 HydrophobicContact CG2-CG2 4.47Å; T224-F430 HydrophobicContact CG2-CD2 3.78Å; T224-F430 HydrophobicContact CG2-CE2 3.81Å |
| 225 | S | 90.7 | Very high | 90.5 | Very high | 69 Ų | 69 | 48.2 Ų | 48.2 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 174.6 | -59.2 | 0 | 0 | 0 | 0 | 112.4 | Y221 G222 V223 G228 | Y221-S225 VanDerWaalsContact O-CB 3.27Å; Y221-S225 WeakPolarHBondContact O-CB 3.42Å; Y221-S225 PolarHBondContact O-N 3.4Å; Y221-S225 PolarHBondContact O-OG 3Å; G222-S225 PolarHBondContact O-N 3.24Å; V223-S225 VanDerWaalsContact C-N 3.3Å; V223-S225 PolarHBondContact O-N 3.47Å; S225-G228 PolarHBondContact O-N 2.89Å |
| 226 | I | 91.7 | Very high | 90.5 | Very high | 152 Ų | 152 | 46 Ų | 46 | 78% | 0.779 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -68 | -36.2 | 178.5 | -69.7 | 163.9 | 0 | 0 | 0 | 111.7 | G222 V223 | G222-I226 WeakPolarHBondContact O-CD1 3.49Å; G222-I226 VanDerWaalsContact O-CG1 3.25Å; G222-I226 WeakPolarHBondContact O-CG1 3.42Å; G222-I226 PolarHBondContact O-N 2.76Å; V223-I226 PolarHBondContact O-N 2.98Å |
| 227 | V | 90.1 | Very high | 90.4 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 29% | 0.291 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -86.5 | -11.5 | -177.6 | -178.8 | 0 | 0 | 0 | 0 | 112.2 | V223 T224 L229 W429 | V223-V227 HydrophobicContact CG1-CG2 4.18Å; V223-V227 WeakPolarHBondContact O-CB 3.34Å; V223-V227 WeakPolarHBondContact O-CG2 3.41Å; V223-V227 PolarHBondContact O-N 3.13Å; T224-V227 PolarHBondContact O-N 3.46Å; V227-L229 HydrophobicContact CB-CD1 4.34Å; V227-L229 HydrophobicContact CB-CG 4.05Å; V227-L229 HydrophobicContact CG1-CD1 3.97Å; V227-L229 HydrophobicContact CG1-CD2 4.03Å; V227-L229 HydrophobicContact CG1-CG 3.71Å; V227-W429 HydrophobicContact CB-CB 4.45Å; V227-W429 HydrophobicContact CG1-CB 3.82Å; V227-W429 HydrophobicContact CG1-CG 3.87Å; V227-W429 HydrophobicContact CG2-CB 3.75Å; V227-W429 HydrophobicContact CG2-CG 4.11Å |
| 228 | G | 86.1 | Confident | 90.4 | Very high | 65 Ų | 65 | 47.9 Ų | 47.9 | 67% | 0.67 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 28.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | T224 S225 | T224-G228 PolarHBondContact O-N 3.25Å; S225-G228 PolarHBondContact O-N 2.89Å |
| 229 | L | 87.4 | Confident | 90.3 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 18% | 0.178 | 26% | 0.261 | C | S | . | . | trans | -87.1 | 133 | 178.6 | -57.2 | 177.8 | 0 | 0 | 0 | 110.9 | T224 V227 F231 N427 F430 | T224-L229 HydrophobicContact CG2-CB 4.22Å; T224-L229 HydrophobicContact CG2-CD1 4.36Å; T224-L229 PolarHBondContact O-N 3.26Å; V227-L229 HydrophobicContact CB-CD1 4.34Å; V227-L229 HydrophobicContact CB-CG 4.05Å; V227-L229 HydrophobicContact CG1-CD1 3.97Å; V227-L229 HydrophobicContact CG1-CD2 4.03Å; V227-L229 HydrophobicContact CG1-CG 3.71Å; L229-F231 VanDerWaalsContact C-N 3.26Å; L229-F231 HydrophobicContact CB-CD2 3.77Å; L229-F231 HydrophobicContact CB-CE2 4.07Å; L229-F231 HydrophobicContact CD1-CE2 4.38Å; L229-F231 PolarHBondContact O-N 2.98Å; L229-N427 WeakPolarHBondContact CD2-ND2 3.39Å; L229-F430 HydrophobicContact CD1-CB 4.37Å; L229-F430 HydrophobicContact CD1-CD2 4.41Å | ||
| 230 | P | 87.5 | Confident | 90.2 | Very high | 100 Ų | 100 | 41.2 Ų | 41.2 | 65% | 0.649 | 25% | 0.251 | S | S | * | . | trans | -78.9 | 70.3 | -175.6 | 33.7 | -37.2 | 0 | 0 | 0 | 112 | Q517 | P230-Q517 WeakPolarHBondContact O-CG 3.38Å; P230-Q517 PolarHBondContact O-NE2 3.38Å | ||
| 231 | F | 87.6 | Confident | 90 | Very high | 15 Ų | 15 | 41.2 Ų | 41.2 | 7% | 0.066 | 25% | 0.251 | C | S | . | . | trans | -108.8 | 132.4 | 171.5 | -77.5 | -99.1 | 0 | 0 | 0 | 110.5 | T224 L229 E235 T236 F430 Q517 I520 M521 | T224-F231 HydrophobicContact CG2-CB 3.9Å; T224-F231 HydrophobicContact CG2-CD2 3.54Å; T224-F231 HydrophobicContact CG2-CE2 4.21Å; T224-F231 HydrophobicContact CG2-CG 3.8Å; L229-F231 VanDerWaalsContact C-N 3.26Å; L229-F231 HydrophobicContact CB-CD2 3.77Å; L229-F231 HydrophobicContact CB-CE2 4.07Å; L229-F231 HydrophobicContact CD1-CE2 4.38Å; L229-F231 PolarHBondContact O-N 2.98Å; F231-E235 HydrophobicContact CD1-CB 4.1Å; F231-T236 HydrophobicContact CB-CG2 3.95Å; F231-T236 HydrophobicContact CD1-CG2 4.44Å; F231-T236 HydrophobicContact CG-CG2 4.49Å; F231-F430 HydrophobicContact CD1-CE2 4.04Å; F231-F430 HydrophobicContact CD2-CD2 4.48Å; F231-F430 HydrophobicContact CD2-CE2 4.27Å; F231-F430 HydrophobicContact CE1-CD2 4.39Å; F231-F430 AromaticContact CE1-CE2 3.58Å; F231-F430 HydrophobicContact CE1-CE2 3.58Å; F231-F430 AromaticContact CE1-CZ 3.99Å; F231-F430 HydrophobicContact CE1-CZ 3.99Å; F231-F430 AromaticContact CE2-CD2 3.87Å; F231-F430 HydrophobicContact CE2-CD2 3.87Å; F231-F430 AromaticContact CE2-CE2 3.84Å; F231-F430 HydrophobicContact CE2-CE2 3.84Å; F231-F430 HydrophobicContact CG-CE2 4.36Å; F231-F430 AromaticContact CZ-CD2 3.82Å; F231-F430 HydrophobicContact CZ-CD2 3.82Å; F231-F430 AromaticContact CZ-CE2 3.47Å; F231-F430 HydrophobicContact CZ-CE2 3.47Å; F231-F430 VanDerWaalsContact CZ-CE2 3.47Å; F231-F430 HydrophobicContact CZ-CZ 4.12Å; F231-Q517 HydrophobicContact CD1-CB 3.95Å; F231-Q517 HydrophobicContact CD1-CG 4Å; F231-Q517 HydrophobicContact CD2-CG 4.45Å; F231-Q517 HydrophobicContact CE1-CB 3.57Å; F231-Q517 HydrophobicContact CE1-CG 3.99Å; F231-Q517 HydrophobicContact CE2-CG 4.43Å; F231-Q517 HydrophobicContact CG-CG 4.24Å; F231-Q517 HydrophobicContact CZ-CB 3.99Å; F231-Q517 HydrophobicContact CZ-CG 4.21Å; F231-I520 HydrophobicContact CE2-CD1 4.4Å; F231-I520 HydrophobicContact CZ-CB 4.11Å; F231-I520 HydrophobicContact CZ-CD1 4.28Å; F231-I520 HydrophobicContact CZ-CG2 3.97Å; F231-M521 HydrophobicContact CE1-CE 4.38Å; F231-M521 HydrophobicContact CE1-CG 3.93Å; F231-M521 HydrophobicContact CE1-SD 4.05Å | ||
| 232 | S | 87.5 | Confident | 89.7 | Confident | 44 Ų | 44 | 36.8 Ų | 36.8 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | trans | -76.7 | 159 | 167.3 | 63.3 | 0 | 0 | 0 | 0 | 111.9 | S234 E235 T236 | S232-S234 PolarHBondContact O-N 3.32Å; S232-S234 PolarHBondContact OG-OG 2.75Å; S232-S234 VanDerWaalsContact OG-OG 3.13Å; S232-E235 WeakPolarHBondContact CB-OE2 3.4Å; S232-E235 PolarHBondContact N-OE2 3.32Å; S232-E235 PolarHBondContact O-N 3.35Å; S232-E235 VanDerWaalsContact OG-CD 3.29Å; S232-E235 VanDerWaalsContact OG-CG 3.27Å; S232-E235 WeakPolarHBondContact OG-CG 3.44Å; S232-E235 PolarHBondContact OG-N 3.43Å; S232-E235 PolarHBondContact OG-OE2 3.39Å; S232-T236 PolarHBondContact O-N 2.66Å; S232-T236 VanDerWaalsContact O-N 3.1Å | ||
| 233 | L | 87.8 | Confident | 89.5 | Confident | 79 Ų | 79 | 35.4 Ų | 35.4 | 41% | 0.414 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.4 | -29.6 | 175.1 | -178.5 | 61.7 | 0 | 0 | 0 | 112.3 | Y221 T236 L237 | Y221-L233 HydrophobicContact CD1-CD1 4.43Å; Y221-L233 HydrophobicContact CD2-CB 4.05Å; Y221-L233 HydrophobicContact CD2-CD1 4.17Å; Y221-L233 HydrophobicContact CE2-CB 4.1Å; Y221-L233 HydrophobicContact CG-CD1 3.93Å; L233-T236 PolarHBondContact O-OG1 2.92Å; L233-L237 HydrophobicContact CD1-CD1 4.33Å; L233-L237 HydrophobicContact CD1-CG 4.29Å; L233-L237 HydrophobicContact CG-CD1 3.99Å; L233-L237 HydrophobicContact CG-CG 4.42Å; L233-L237 VanDerWaalsContact O-CB 3.29Å; L233-L237 WeakPolarHBondContact O-CB 3.04Å; L233-L237 WeakPolarHBondContact O-CD1 3.46Å; L233-L237 WeakPolarHBondContact O-CG 3.37Å; L233-L237 PolarHBondContact O-N 3.41Å |
| 234 | S | 86.2 | Confident | 89.2 | Confident | 26 Ų | 26 | 34.1 Ų | 34.1 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.6 | -40.3 | 173.1 | 43.8 | 0 | 0 | 0 | 0 | 111.7 | S232 L237 L238 I286 S290 | S232-S234 PolarHBondContact O-N 3.32Å; S232-S234 PolarHBondContact OG-OG 2.75Å; S232-S234 VanDerWaalsContact OG-OG 3.13Å; S234-L237 PolarHBondContact O-N 3.23Å; S234-L238 VanDerWaalsContact O-CB 3.29Å; S234-L238 WeakPolarHBondContact O-CB 3.27Å; S234-L238 PolarHBondContact O-N 3.03Å; S234-I286 VanDerWaalsContact O-CG2 3.22Å; S234-I286 WeakPolarHBondContact O-CG2 3.15Å; S234-S290 PolarHBondContact OG-OG 3.03Å |
| 235 | E | 90.1 | Very high | 88.6 | Confident | 34 Ų | 34 | 34.1 Ų | 34.1 | 16% | 0.159 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.9 | -41.3 | 175.1 | -71.4 | 163.2 | 122 | 0 | 0 | 112.4 | F231 S232 L238 F239 Q517 M521 | F231-E235 HydrophobicContact CD1-CB 4.1Å; S232-E235 WeakPolarHBondContact CB-OE2 3.4Å; S232-E235 PolarHBondContact N-OE2 3.32Å; S232-E235 PolarHBondContact O-N 3.35Å; S232-E235 VanDerWaalsContact OG-CD 3.29Å; S232-E235 VanDerWaalsContact OG-CG 3.27Å; S232-E235 WeakPolarHBondContact OG-CG 3.44Å; S232-E235 PolarHBondContact OG-N 3.43Å; S232-E235 PolarHBondContact OG-OE2 3.39Å; E235-L238 WeakPolarHBondContact O-CB 3.42Å; E235-L238 PolarHBondContact O-N 3.31Å; E235-F239 PolarHBondContact O-N 3.13Å; E235-Q517 WeakPolarHBondContact OE1-CB 3.05Å; E235-Q517 WeakPolarHBondContact OE1-CG 3.3Å; E235-M521 HydrophobicContact CB-CE 4.23Å; E235-M521 VanDerWaalsContact O-SD 3.38Å |
| 236 | T | 91.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72.1 | -34 | 177.5 | 67.2 | 0 | 0 | 0 | 0 | 112.5 | G217 M220 Y221 T224 F231 S232 L233 L238 F239 G240 | G217-T236 VanDerWaalsContact CA-O 3.22Å; G217-T236 WeakPolarHBondContact CA-O 3.18Å; G217-T236 WeakPolarHBondContact O-CB 3.48Å; G217-T236 PolarHBondContact O-OG1 2.95Å; M220-T236 HydrophobicContact CB-CG2 4.29Å; Y221-T236 HydrophobicContact CD2-CG2 4.44Å; T224-T236 HydrophobicContact CG2-CG2 4.47Å; F231-T236 HydrophobicContact CB-CG2 3.95Å; F231-T236 HydrophobicContact CD1-CG2 4.44Å; F231-T236 HydrophobicContact CG-CG2 4.49Å; S232-T236 PolarHBondContact O-N 2.66Å; S232-T236 VanDerWaalsContact O-N 3.1Å; L233-T236 PolarHBondContact O-OG1 2.92Å; T236-L238 VanDerWaalsContact C-N 3.34Å; T236-F239 WeakPolarHBondContact O-CB 3.34Å; T236-F239 PolarHBondContact O-N 3.33Å; T236-G240 PolarHBondContact O-N 3.31Å |
| 237 | L | 91.6 | Very high | 86.5 | Confident | 29 Ų | 29 | 24.6 Ų | 24.6 | 15% | 0.152 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.6 | -38.2 | 168.9 | -74.6 | 168.7 | 0 | 0 | 0 | 111.6 | C213 V214 L233 S234 G240 A241 I286 | C213-L237 PolarHBondContact SG-O 2.93Å; V214-L237 HydrophobicContact CG2-CD2 4.4Å; L233-L237 HydrophobicContact CD1-CD1 4.33Å; L233-L237 HydrophobicContact CD1-CG 4.29Å; L233-L237 HydrophobicContact CG-CD1 3.99Å; L233-L237 HydrophobicContact CG-CG 4.42Å; L233-L237 VanDerWaalsContact O-CB 3.29Å; L233-L237 WeakPolarHBondContact O-CB 3.04Å; L233-L237 WeakPolarHBondContact O-CD1 3.46Å; L233-L237 WeakPolarHBondContact O-CG 3.37Å; L233-L237 PolarHBondContact O-N 3.41Å; S234-L237 PolarHBondContact O-N 3.23Å; L237-G240 CarbonylContact O-C 3.39Å; L237-G240 WeakPolarHBondContact O-CA 3.31Å; L237-G240 PolarHBondContact O-N 2.89Å; L237-G240 VanDerWaalsContact O-N 3.09Å; L237-A241 PolarHBondContact O-N 3.27Å; L237-I286 HydrophobicContact CB-CD1 4.05Å; L237-I286 HydrophobicContact CB-CG2 4.35Å |
| 238 | L | 90.8 | Very high | 84.8 | Confident | 11 Ų | 11 | 22.6 Ų | 22.6 | 6% | 0.058 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.2 | -41.8 | 175 | -176.6 | 58.7 | 0 | 0 | 0 | 111.1 | S234 E235 T236 G240 A241 M242 I286 E287 M518 | S234-L238 VanDerWaalsContact O-CB 3.29Å; S234-L238 WeakPolarHBondContact O-CB 3.27Å; S234-L238 PolarHBondContact O-N 3.03Å; E235-L238 WeakPolarHBondContact O-CB 3.42Å; E235-L238 PolarHBondContact O-N 3.31Å; T236-L238 VanDerWaalsContact C-N 3.34Å; L238-G240 VanDerWaalsContact C-N 3.32Å; L238-G240 PolarHBondContact O-N 2.82Å; L238-A241 PolarHBondContact O-N 3.03Å; L238-M242 HydrophobicContact CG-CE 4.23Å; L238-M242 WeakPolarHBondContact O-CG 3.37Å; L238-M242 PolarHBondContact O-N 3.38Å; L238-I286 HydrophobicContact CB-CG2 3.96Å; L238-E287 HydrophobicContact CD1-CG 3.91Å; L238-E287 HydrophobicContact CD2-CG 3.86Å; L238-M518 HydrophobicContact CD2-CE 4.04Å; L238-M518 HydrophobicContact CD2-SD 4.06Å |
| 239 | F | 91.9 | Very high | 83.4 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.9 | -46.2 | 168.3 | -172.3 | -109.3 | 0 | 0 | 0 | 111.8 | I216 M220 E235 T236 A241 M242 I243 F430 A434 M521 T524 I528 | I216-F239 HydrophobicContact CG2-CD1 4.17Å; I216-F239 HydrophobicContact CG2-CE1 4.43Å; M220-F239 HydrophobicContact CE-CE1 4.34Å; M220-F239 HydrophobicContact CG-CD1 3.95Å; M220-F239 HydrophobicContact CG-CE1 4.19Å; M220-F239 HydrophobicContact SD-CE1 4.41Å; E235-F239 PolarHBondContact O-N 3.13Å; T236-F239 WeakPolarHBondContact O-CB 3.34Å; T236-F239 PolarHBondContact O-N 3.33Å; F239-A241 VanDerWaalsContact C-N 3.31Å; F239-A241 PolarHBondContact O-N 2.97Å; F239-M242 HydrophobicContact CD2-CE 4.46Å; F239-M242 PolarHBondContact O-N 2.87Å; F239-I243 HydrophobicContact CD1-CG2 4.46Å; F239-I243 HydrophobicContact CE1-CG2 4.36Å; F239-I243 HydrophobicContact CE2-CD1 4.41Å; F239-I243 HydrophobicContact CZ-CD1 4.37Å; F239-I243 VanDerWaalsContact O-CB 3.31Å; F239-I243 WeakPolarHBondContact O-CB 3.37Å; F239-I243 VanDerWaalsContact O-CG2 3.25Å; F239-I243 WeakPolarHBondContact O-CG2 3.44Å; F239-I243 PolarHBondContact O-N 3.19Å; F239-F430 HydrophobicContact CD1-CE1 4.42Å; F239-F430 HydrophobicContact CD1-CZ 4.4Å; F239-F430 HydrophobicContact CD2-CE1 4.15Å; F239-F430 HydrophobicContact CD2-CZ 4.34Å; F239-F430 HydrophobicContact CE1-CE1 4.24Å; F239-F430 AromaticContact CE2-CE1 3.97Å; F239-F430 HydrophobicContact CE2-CE1 3.97Å; F239-F430 HydrophobicContact CG-CE1 4.37Å; F239-F430 HydrophobicContact CG-CZ 4.24Å; F239-F430 HydrophobicContact CZ-CE1 4.01Å; F239-A434 HydrophobicContact CE1-CB 3.81Å; F239-A434 HydrophobicContact CZ-CB 3.85Å; F239-M521 HydrophobicContact CB-CG 4.35Å; F239-M521 HydrophobicContact CB-SD 3.66Å; F239-M521 HydrophobicContact CD2-CB 3.91Å; F239-M521 HydrophobicContact CD2-CG 3.83Å; F239-M521 HydrophobicContact CD2-SD 4.21Å; F239-M521 HydrophobicContact CE2-CB 4.47Å; F239-M521 HydrophobicContact CG-CG 4.38Å; F239-M521 HydrophobicContact CG-SD 4.32Å; F239-T524 HydrophobicContact CE2-CG2 4.27Å; F239-T524 HydrophobicContact CZ-CG2 3.9Å; F239-I528 HydrophobicContact CZ-CD1 4.08Å |
| 240 | G | 91.1 | Very high | 82 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -54.3 | -42.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T236 L237 L238 S244 | T236-G240 PolarHBondContact O-N 3.31Å; L237-G240 CarbonylContact O-C 3.39Å; L237-G240 WeakPolarHBondContact O-CA 3.31Å; L237-G240 PolarHBondContact O-N 2.89Å; L237-G240 VanDerWaalsContact O-N 3.09Å; L238-G240 VanDerWaalsContact C-N 3.32Å; L238-G240 PolarHBondContact O-N 2.82Å; G240-S244 VanDerWaalsContact O-CB 3.28Å; G240-S244 WeakPolarHBondContact O-CB 3.32Å; G240-S244 PolarHBondContact O-N 3.31Å; G240-S244 VanDerWaalsContact O-N 3.16Å; G240-S244 PolarHBondContact O-OG 2.84Å |
| 241 | A | 89.2 | Confident | 80.7 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.2 | -55.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | C213 L237 L238 F239 I243 S244 L282 I286 | C213-A241 PolarHBondContact SG-N 2.91Å; C213-A241 VanDerWaalsContact SG-N 3.38Å; L237-A241 PolarHBondContact O-N 3.27Å; L238-A241 PolarHBondContact O-N 3.03Å; F239-A241 VanDerWaalsContact C-N 3.31Å; F239-A241 PolarHBondContact O-N 2.97Å; A241-I243 PolarHBondContact O-N 3.2Å; A241-S244 PolarHBondContact O-N 3.48Å; A241-L282 HydrophobicContact CB-CB 3.98Å; A241-I286 HydrophobicContact CB-CD1 3.91Å |
| 242 | M | 88.3 | Confident | 79.5 | Confident | 5 Ų | 5 | 14.9 Ų | 14.9 | 3% | 0.025 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -54.6 | -40 | -179.6 | -68.1 | -174 | -66.1 | 0 | 0 | 112.2 | L238 F239 A505 L508 A509 M518 M521 | L238-M242 HydrophobicContact CG-CE 4.23Å; L238-M242 WeakPolarHBondContact O-CG 3.37Å; L238-M242 PolarHBondContact O-N 3.38Å; F239-M242 HydrophobicContact CD2-CE 4.46Å; F239-M242 PolarHBondContact O-N 2.87Å; M242-A505 WeakPolarHBondContact O-CB 3.49Å; M242-L508 HydrophobicContact CB-CB 4.37Å; M242-L508 HydrophobicContact CG-CB 4.09Å; M242-A509 HydrophobicContact SD-CB 4.03Å; M242-M518 HydrophobicContact CE-CE 4.5Å; M242-M521 HydrophobicContact CE-CB 4.21Å; M242-M521 HydrophobicContact CE-SD 4.29Å |
| 243 | I | 87.4 | Confident | 78 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -4 | -177.2 | -142.3 | 83.2 | 0 | 0 | 0 | 113.1 | I216 F239 A241 I438 R501 A505 T525 I528 | I216-I243 HydrophobicContact CD1-CG2 3.85Å; I216-I243 HydrophobicContact CG2-CG2 3.95Å; F239-I243 HydrophobicContact CD1-CG2 4.46Å; F239-I243 HydrophobicContact CE1-CG2 4.36Å; F239-I243 HydrophobicContact CE2-CD1 4.41Å; F239-I243 HydrophobicContact CZ-CD1 4.37Å; F239-I243 VanDerWaalsContact O-CB 3.31Å; F239-I243 WeakPolarHBondContact O-CB 3.37Å; F239-I243 VanDerWaalsContact O-CG2 3.25Å; F239-I243 WeakPolarHBondContact O-CG2 3.44Å; F239-I243 PolarHBondContact O-N 3.19Å; A241-I243 PolarHBondContact O-N 3.2Å; I243-I438 HydrophobicContact CG1-CD1 4.4Å; I243-R501 VanDerWaalsContact CG1-CZ 3.49Å; I243-R501 VanDerWaalsContact CG1-NH1 3.33Å; I243-R501 PolarHBondContact O-NE 2.84Å; I243-R501 PolarHBondContact O-NH2 3.33Å; I243-A505 HydrophobicContact CD1-CB 4.29Å; I243-T525 HydrophobicContact CD1-CG2 3.73Å; I243-T525 WeakPolarHBondContact CD1-OG1 3.3Å; I243-I528 HydrophobicContact CD1-CD1 3.95Å; I243-I528 HydrophobicContact CD1-CG2 4.47Å; I243-I528 HydrophobicContact CG1-CD1 4.39Å |
| 244 | S | 86.6 | Confident | 76.7 | Confident | 5 Ų | 5 | 11.1 Ų | 11.1 | 4% | 0.035 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -12.5 | 174.7 | -69.2 | 0 | 0 | 0 | 0 | 113.8 | S212 C213 G240 A241 | S212-S244 WeakPolarHBondContact OG-CB 3.44Å; S212-S244 PolarHBondContact OG-OG 2.86Å; C213-S244 PolarHBondContact N-OG 3.16Å; G240-S244 VanDerWaalsContact O-CB 3.28Å; G240-S244 WeakPolarHBondContact O-CB 3.32Å; G240-S244 PolarHBondContact O-N 3.31Å; G240-S244 VanDerWaalsContact O-N 3.16Å; G240-S244 PolarHBondContact O-OG 2.84Å; A241-S244 PolarHBondContact O-N 3.48Å |
| 245 | A | 79.5 | Confident | 75.5 | Confident | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.008 | 6% | 0.061 | C | C | . | . | trans | -61.8 | 138.5 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | D276 A279 M504 | A245-D276 WeakPolarHBondContact CB-OD1 3.28Å; A245-A279 HydrophobicContact CB-CB 4.04Å; A245-M504 HydrophobicContact CB-CB 3.89Å | ||
| 246 | T | 73.1 | Confident | 74 | Confident | 6 Ų | 6 | 13.2 Ų | 13.2 | 4% | 0.037 | 8% | 0.077 | C | C | . | . | trans | -139.9 | 128.7 | 177.7 | 68.5 | 0 | 0 | 0 | 0 | 110.6 | S272 N275 | T246-S272 VanDerWaalsContact O-CB 3.31Å; T246-S272 WeakPolarHBondContact O-CB 2.78Å; T246-S272 PolarHBondContact OG1-OG 3.23Å; T246-S272 VanDerWaalsContact OG1-OG 3.14Å; T246-N275 PolarHBondContact N-ND2 3.26Å; T246-N275 VanDerWaalsContact N-ND2 3.19Å; T246-N275 PolarHBondContact OG1-ND2 2.64Å | ||
| 247 | D | 64.2 | Low | 72.4 | Confident | 14 Ų | 14 | 20 Ų | 20 | 8% | 0.075 | 11% | 0.108 | C | C | . | . | trans | -76.9 | 123.8 | -169.9 | -166.9 | -47.2 | 0 | 0 | 0 | 110.9 | V249 L500 G502 A503 | D247-V249 WeakPolarHBondContact OD1-CB 3.45Å; D247-V249 VanDerWaalsContact OD1-CG2 3.25Å; D247-V249 WeakPolarHBondContact OD1-CG2 3.37Å; D247-V249 PolarHBondContact OD1-N 3.46Å; D247-L500 PolarHBondContact N-O 2.87Å; D247-G502 VanDerWaalsContact CB-N 3.3Å; D247-G502 WeakPolarHBondContact OD2-CA 3.47Å; D247-A503 PolarHBondContact OD2-N 2.99Å | ||
| 248 | P | 55.9 | Low | 70.7 | Confident | 6 Ų | 6 | 19.4 Ų | 19.4 | 4% | 0.039 | 11% | 0.106 | C | C | . | . | trans | -71.5 | -29.8 | 180 | 23.8 | -27.1 | 0 | 0 | 0 | 112.6 | I251 L252 F269 S272 | P248-I251 PolarHBondContact O-N 3.31Å; P248-L252 HydrophobicContact CB-CD1 3.7Å; P248-L252 WeakPolarHBondContact O-CB 3.28Å; P248-L252 WeakPolarHBondContact O-CD1 3.47Å; P248-L252 WeakPolarHBondContact O-CG 3.41Å; P248-L252 PolarHBondContact O-N 3.47Å; P248-F269 HydrophobicContact CB-CD2 4.24Å; P248-S272 VanDerWaalsContact CD-O 3.31Å; P248-S272 WeakPolarHBondContact CD-O 3.33Å; P248-S272 WeakPolarHBondContact CG-O 3.35Å | ||
| 249 | V | 57 | Low | 69 | Low | 19 Ų | 19 | 23.7 Ų | 23.7 | 12% | 0.115 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -70.8 | -56.2 | -149.3 | -166.6 | 0 | 0 | 0 | 0 | 111.7 | I181 D247 I251 L252 A253 E407 | I181-V249 HydrophobicContact CG2-CB 4.49Å; I181-V249 HydrophobicContact CG2-CG1 4.18Å; I181-V249 HydrophobicContact CG2-CG2 3.39Å; D247-V249 WeakPolarHBondContact OD1-CB 3.45Å; D247-V249 VanDerWaalsContact OD1-CG2 3.25Å; D247-V249 WeakPolarHBondContact OD1-CG2 3.37Å; D247-V249 PolarHBondContact OD1-N 3.46Å; V249-I251 VanDerWaalsContact C-N 3.28Å; V249-I251 PolarHBondContact O-N 3.27Å; V249-L252 PolarHBondContact O-N 3.43Å; V249-A253 PolarHBondContact O-N 2.93Å; V249-E407 HydrophobicContact CG1-CG 4.07Å; V249-E407 WeakPolarHBondContact CG1-OE1 3.07Å; V249-E407 VanDerWaalsContact CG1-OE2 3.24Å; V249-E407 WeakPolarHBondContact CG1-OE2 3.23Å |
| 250 | T | 58.1 | Low | 67.6 | Low | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.018 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66.4 | -28.1 | -178 | -58.9 | 0 | 0 | 0 | 0 | 112.7 | T81 V254 E407 F411 L500 | T81-T250 WeakPolarHBondContact OG1-CG2 3.41Å; T250-V254 WeakPolarHBondContact O-CG2 3.43Å; T250-E407 PolarHBondContact OG1-OE1 2.95Å; T250-F411 WeakPolarHBondContact OG1-CE2 3.47Å; T250-F411 WeakPolarHBondContact OG1-CZ 3.42Å; T250-L500 HydrophobicContact CG2-CD1 3.49Å; T250-L500 VanDerWaalsContact CG2-CD1 3.49Å |
| 251 | I | 59.4 | Low | 66.6 | Low | 19 Ų | 19 | 26.9 Ų | 26.9 | 10% | 0.097 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -68.7 | -45 | 170.7 | -60.9 | -176.4 | 0 | 0 | 0 | 110.1 | P248 V249 V254 L255 V268 F497 S498 L500 | P248-I251 PolarHBondContact O-N 3.31Å; V249-I251 VanDerWaalsContact C-N 3.28Å; V249-I251 PolarHBondContact O-N 3.27Å; I251-V254 PolarHBondContact O-N 3.37Å; I251-L255 HydrophobicContact CG2-CD1 3.69Å; I251-L255 HydrophobicContact CG2-CG 3.97Å; I251-L255 WeakPolarHBondContact O-CG 3.4Å; I251-L255 PolarHBondContact O-N 3.24Å; I251-V268 HydrophobicContact CG2-CG1 4.16Å; I251-F497 WeakPolarHBondContact CD1-O 3.09Å; I251-S498 WeakPolarHBondContact CD1-O 3.45Å; I251-L500 HydrophobicContact CD1-CB 4.18Å; I251-L500 HydrophobicContact CD1-CG 4.33Å; I251-L500 HydrophobicContact CG1-CB 4.04Å; I251-L500 HydrophobicContact CG1-CD1 3.76Å; I251-L500 HydrophobicContact CG1-CG 3.92Å |
| 252 | L | 62.3 | Low | 65.8 | Low | 12 Ų | 12 | 27.4 Ų | 27.4 | 6% | 0.063 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.8 | -28.9 | -176.7 | -65.4 | 168.7 | 0 | 0 | 0 | 113.2 | P248 V249 L255 N256 F265 F269 | P248-L252 HydrophobicContact CB-CD1 3.7Å; P248-L252 WeakPolarHBondContact O-CB 3.28Å; P248-L252 WeakPolarHBondContact O-CD1 3.47Å; P248-L252 WeakPolarHBondContact O-CG 3.41Å; P248-L252 PolarHBondContact O-N 3.47Å; V249-L252 PolarHBondContact O-N 3.43Å; L252-L255 HydrophobicContact CD2-CD1 4.18Å; L252-L255 PolarHBondContact O-N 3.49Å; L252-N256 VanDerWaalsContact O-CB 3.26Å; L252-N256 WeakPolarHBondContact O-CB 3.25Å; L252-N256 VanDerWaalsContact O-CG 3.27Å; L252-N256 PolarHBondContact O-N 2.94Å; L252-N256 PolarHBondContact O-ND2 3.23Å; L252-F265 HydrophobicContact CB-CE2 4.15Å; L252-F265 HydrophobicContact CB-CZ 4.45Å; L252-F265 HydrophobicContact CD2-CD1 4.44Å; L252-F265 HydrophobicContact CD2-CD2 3.66Å; L252-F265 HydrophobicContact CD2-CE1 4.26Å; L252-F265 HydrophobicContact CD2-CE2 3.45Å; L252-F265 VanDerWaalsContact CD2-CE2 3.45Å; L252-F265 HydrophobicContact CD2-CG 4.16Å; L252-F265 HydrophobicContact CD2-CZ 3.77Å; L252-F265 HydrophobicContact CG-CE2 4.33Å; L252-F269 HydrophobicContact CD1-CB 3.67Å; L252-F269 HydrophobicContact CD1-CD2 3.41Å; L252-F269 VanDerWaalsContact CD1-CD2 3.41Å; L252-F269 HydrophobicContact CD1-CE2 4.38Å; L252-F269 HydrophobicContact CD1-CG 3.86Å; L252-F269 HydrophobicContact CD2-CB 3.91Å; L252-F269 HydrophobicContact CG-CB 4.44Å |
| 253 | A | 56.4 | Low | 65.3 | Low | 30 Ų | 30 | 28.5 Ų | 28.5 | 25% | 0.248 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -53.8 | -55.7 | 167 | 0 | 0 | 0 | 0 | 0 | 110.1 | V249 N256 E257 | V249-A253 PolarHBondContact O-N 2.93Å; A253-N256 PolarHBondContact O-N 2.98Å; A253-E257 PolarHBondContact O-N 2.84Å |
| 254 | V | 59.4 | Low | 64.7 | Low | 13 Ų | 13 | 28.6 Ų | 28.6 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.3 | 174.3 | 0 | 0 | 0 | 0 | 112.6 | T250 I251 N256 E257 V258 A540 L544 | T250-V254 WeakPolarHBondContact O-CG2 3.43Å; I251-V254 PolarHBondContact O-N 3.37Å; V254-N256 VanDerWaalsContact C-N 3.3Å; V254-N256 PolarHBondContact O-N 2.84Å; V254-E257 PolarHBondContact O-N 3.26Å; V254-V258 VanDerWaalsContact O-CG2 3.27Å; V254-V258 WeakPolarHBondContact O-CG2 3.47Å; V254-V258 PolarHBondContact O-N 3.32Å; V254-A540 HydrophobicContact CG1-CB 4.15Å; V254-A540 HydrophobicContact CG2-CB 4.42Å; V254-L544 HydrophobicContact CG1-CD1 3.4Å |
| 255 | L | 62 | Low | 64.2 | Low | 13 Ų | 13 | 29.7 Ų | 29.7 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.3 | -29.3 | 178.9 | -68.2 | 178.7 | 0 | 0 | 0 | 113.1 | I251 L252 N259 V260 F265 | I251-L255 HydrophobicContact CG2-CD1 3.69Å; I251-L255 HydrophobicContact CG2-CG 3.97Å; I251-L255 WeakPolarHBondContact O-CG 3.4Å; I251-L255 PolarHBondContact O-N 3.24Å; L252-L255 HydrophobicContact CD2-CD1 4.18Å; L252-L255 PolarHBondContact O-N 3.49Å; L255-N259 PolarHBondContact O-N 3.13Å; L255-V260 HydrophobicContact CD2-CB 4.12Å; L255-V260 HydrophobicContact CD2-CG1 4.21Å; L255-V260 HydrophobicContact CD2-CG2 3.69Å; L255-V260 PolarHBondContact O-N 3.45Å; L255-F265 HydrophobicContact CB-CD2 4.14Å |
| 256 | N | 58.9 | Low | 64.2 | Low | 92 Ų | 92 | 29.7 Ų | 29.7 | 49% | 0.492 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -69.4 | -46.2 | 174.7 | -84.2 | -46.4 | 0 | 0 | 0 | 111.7 | L252 A253 V254 V258 N259 F265 | L252-N256 VanDerWaalsContact O-CB 3.26Å; L252-N256 WeakPolarHBondContact O-CB 3.25Å; L252-N256 VanDerWaalsContact O-CG 3.27Å; L252-N256 PolarHBondContact O-N 2.94Å; L252-N256 PolarHBondContact O-ND2 3.23Å; A253-N256 PolarHBondContact O-N 2.98Å; V254-N256 VanDerWaalsContact C-N 3.3Å; V254-N256 PolarHBondContact O-N 2.84Å; N256-V258 PolarHBondContact O-N 3.08Å; N256-N259 PolarHBondContact O-N 3.3Å; N256-F265 VanDerWaalsContact OD1-CE2 3.25Å; N256-F265 WeakPolarHBondContact OD1-CE2 3.2Å |
| 257 | E | 57.1 | Low | 64.6 | Low | 142 Ų | 142 | 29.5 Ų | 29.5 | 66% | 0.664 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -58.5 | -38.5 | 177.2 | -67.1 | -163.7 | 150.4 | 0 | 0 | 112.1 | A253 V254 N259 | A253-E257 PolarHBondContact O-N 2.84Å; V254-E257 PolarHBondContact O-N 3.26Å; E257-N259 VanDerWaalsContact C-N 3.34Å; E257-N259 PolarHBondContact O-N 2.83Å; E257-N259 PolarHBondContact O-ND2 3.01Å |
| 258 | V | 55.2 | Low | 65.2 | Low | 17 Ų | 17 | 29.3 Ų | 29.3 | 10% | 0.103 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -77.3 | -15.7 | -176.5 | 176.5 | 0 | 0 | 0 | 0 | 113.5 | V254 N256 V260 L544 I549 | V254-V258 VanDerWaalsContact O-CG2 3.27Å; V254-V258 WeakPolarHBondContact O-CG2 3.47Å; V254-V258 PolarHBondContact O-N 3.32Å; N256-V258 PolarHBondContact O-N 3.08Å; V258-V260 HydrophobicContact CB-CG2 3.85Å; V258-V260 HydrophobicContact CG1-CG2 3.48Å; V258-V260 VanDerWaalsContact CG1-CG2 3.48Å; V258-L544 HydrophobicContact CB-CD2 4.47Å; V258-L544 HydrophobicContact CG1-CD2 3.98Å; V258-L544 HydrophobicContact CG2-CD1 3.38Å; V258-L544 HydrophobicContact CG2-CD2 3.7Å; V258-L544 HydrophobicContact CG2-CG 4.07Å; V258-I549 HydrophobicContact CG1-CD1 4.12Å; V258-I549 HydrophobicContact CG1-CG2 3.98Å |
| 259 | N | 56.4 | Low | 66.3 | Low | 101 Ų | 101 | 29.1 Ų | 29.1 | 54% | 0.54 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 46.7 | -172.2 | -71.3 | -95.6 | 0 | 0 | 0 | 113.4 | L255 N256 E257 | L255-N259 PolarHBondContact O-N 3.13Å; N256-N259 PolarHBondContact O-N 3.3Å; E257-N259 VanDerWaalsContact C-N 3.34Å; E257-N259 PolarHBondContact O-N 2.83Å; E257-N259 PolarHBondContact O-ND2 3.01Å |
| 260 | V | 63.3 | Low | 67.4 | Low | 12 Ų | 12 | 28.2 Ų | 28.2 | 7% | 0.073 | 15% | 0.152 | C | C | . | . | trans | -64.2 | 156.4 | 177.5 | 176.8 | 0 | 0 | 0 | 0 | 112.2 | L255 V258 A262 L264 | L255-V260 HydrophobicContact CD2-CB 4.12Å; L255-V260 HydrophobicContact CD2-CG1 4.21Å; L255-V260 HydrophobicContact CD2-CG2 3.69Å; L255-V260 PolarHBondContact O-N 3.45Å; V258-V260 HydrophobicContact CB-CG2 3.85Å; V258-V260 HydrophobicContact CG1-CG2 3.48Å; V258-V260 VanDerWaalsContact CG1-CG2 3.48Å; V260-A262 PolarHBondContact O-N 2.8Å; V260-L264 HydrophobicContact CG1-CB 4.31Å; V260-L264 HydrophobicContact CG1-CD2 3.47Å; V260-L264 VanDerWaalsContact CG1-CD2 3.47Å; V260-L264 HydrophobicContact CG1-CG 4.13Å | ||
| 261 | D | 69.8 | Low | 68.7 | Low | 55 Ų | 55 | 28.2 Ų | 28.2 | 29% | 0.294 | 15% | 0.152 | S | C | . | . | trans | -46.8 | 123.8 | 176.1 | 177 | 16 | 0 | 0 | 0 | 111.9 | N263 L264 F265 | D261-N263 VanDerWaalsContact CG-ND2 3.27Å; D261-N263 PolarHBondContact O-N 3.37Å; D261-N263 VanDerWaalsContact O-N 3.08Å; D261-N263 PolarHBondContact OD1-N 2.82Å; D261-N263 PolarHBondContact OD1-ND2 3.23Å; D261-N263 WeakPolarHBondContact OD2-CB 3.44Å; D261-N263 PolarHBondContact OD2-ND2 3.21Å; D261-L264 HydrophobicContact CB-CB 4.47Å; D261-L264 PolarHBondContact O-N 3.34Å; D261-F265 PolarHBondContact O-N 2.81Å | ||
| 262 | A | 72.5 | Confident | 69.7 | Low | 11 Ų | 11 | 27.3 Ų | 27.3 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.3 | -22.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | K190 H193 V260 A266 | K190-A262 HydrophobicContact CD-CB 3.71Å; H193-A262 HydrophobicContact CB-CB 4.35Å; V260-A262 PolarHBondContact O-N 2.8Å; A262-A266 WeakPolarHBondContact O-CB 3.18Å; A262-A266 PolarHBondContact O-N 3.42Å; A262-A266 VanDerWaalsContact O-N 3.12Å |
| 263 | N | 77.9 | Confident | 70.4 | Confident | 28 Ų | 28 | 26.8 Ų | 26.8 | 15% | 0.15 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -70.4 | -45.1 | 171.8 | -51.4 | -59.4 | 0 | 0 | 0 | 112.1 | H193 R196 N197 D261 A266 L267 | H193-N263 PolarHBondContact ND1-OD1 2.96Å; R196-N263 PolarHBondContact NH2-OD1 3.33Å; N197-N263 PolarHBondContact ND2-O 3.42Å; D261-N263 VanDerWaalsContact CG-ND2 3.27Å; D261-N263 PolarHBondContact O-N 3.37Å; D261-N263 VanDerWaalsContact O-N 3.08Å; D261-N263 PolarHBondContact OD1-N 2.82Å; D261-N263 PolarHBondContact OD1-ND2 3.23Å; D261-N263 WeakPolarHBondContact OD2-CB 3.44Å; D261-N263 PolarHBondContact OD2-ND2 3.21Å; N263-A266 PolarHBondContact O-N 3.18Å; N263-L267 WeakPolarHBondContact O-CG 3.05Å; N263-L267 PolarHBondContact O-N 2.92Å |
| 264 | L | 74.8 | Confident | 71.6 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.8 | -45.3 | 179.6 | 171 | 63.2 | 0 | 0 | 0 | 110.9 | V260 D261 A266 L267 V268 N465 M468 M469 | V260-L264 HydrophobicContact CG1-CB 4.31Å; V260-L264 HydrophobicContact CG1-CD2 3.47Å; V260-L264 VanDerWaalsContact CG1-CD2 3.47Å; V260-L264 HydrophobicContact CG1-CG 4.13Å; D261-L264 HydrophobicContact CB-CB 4.47Å; D261-L264 PolarHBondContact O-N 3.34Å; L264-A266 VanDerWaalsContact C-N 3.27Å; L264-A266 PolarHBondContact O-N 2.89Å; L264-L267 PolarHBondContact O-N 3.5Å; L264-L267 VanDerWaalsContact O-N 3.13Å; L264-V268 HydrophobicContact CD1-CG2 3.9Å; L264-V268 PolarHBondContact O-N 3.39Å; L264-N465 HydrophobicContact CD1-CB 4.42Å; L264-M468 HydrophobicContact CD1-CG 4.21Å; L264-M468 HydrophobicContact CD2-CB 4.22Å; L264-M468 HydrophobicContact CD2-CG 3.44Å; L264-M468 VanDerWaalsContact CD2-CG 3.44Å; L264-M468 HydrophobicContact CG-CG 4.36Å; L264-M469 HydrophobicContact CD1-CG 3.93Å |
| 265 | F | 75.3 | Confident | 72.9 | Confident | 27 Ų | 27 | 24.9 Ų | 24.9 | 12% | 0.118 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -52 | -47.4 | 171.4 | -178.4 | -82.7 | 0 | 0 | 0 | 111.2 | L189 L252 L255 N256 D261 F269 | L189-F265 HydrophobicContact CD1-CE1 4.24Å; L252-F265 HydrophobicContact CB-CE2 4.15Å; L252-F265 HydrophobicContact CB-CZ 4.45Å; L252-F265 HydrophobicContact CD2-CD1 4.44Å; L252-F265 HydrophobicContact CD2-CD2 3.66Å; L252-F265 HydrophobicContact CD2-CE1 4.26Å; L252-F265 HydrophobicContact CD2-CE2 3.45Å; L252-F265 VanDerWaalsContact CD2-CE2 3.45Å; L252-F265 HydrophobicContact CD2-CG 4.16Å; L252-F265 HydrophobicContact CD2-CZ 3.77Å; L252-F265 HydrophobicContact CG-CE2 4.33Å; L255-F265 HydrophobicContact CB-CD2 4.14Å; N256-F265 VanDerWaalsContact OD1-CE2 3.25Å; N256-F265 WeakPolarHBondContact OD1-CE2 3.2Å; D261-F265 PolarHBondContact O-N 2.81Å; F265-F269 VanDerWaalsContact O-CB 3.26Å; F265-F269 WeakPolarHBondContact O-CB 3.42Å; F265-F269 PolarHBondContact O-N 3.38Å |
| 266 | A | 79.1 | Confident | 73.8 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 2% | 0.017 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.1 | -29.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | H193 F194 I201 A262 N263 L264 G270 | H193-A266 HydrophobicContact CB-CB 4.15Å; F194-A266 HydrophobicContact CB-CB 4.33Å; I201-A266 VanDerWaalsContact CD1-O 3.28Å; I201-A266 WeakPolarHBondContact CD1-O 3.3Å; A262-A266 WeakPolarHBondContact O-CB 3.18Å; A262-A266 PolarHBondContact O-N 3.42Å; A262-A266 VanDerWaalsContact O-N 3.12Å; N263-A266 PolarHBondContact O-N 3.18Å; L264-A266 VanDerWaalsContact C-N 3.27Å; L264-A266 PolarHBondContact O-N 2.89Å; A266-G270 PolarHBondContact O-N 3.12Å; A266-G270 VanDerWaalsContact O-N 3.1Å |
| 267 | L | 81 | Confident | 74.8 | Confident | 2 Ų | 2 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -68.5 | -54.8 | 173.2 | -76.4 | 165.7 | 0 | 0 | 0 | 110.8 | N197 I201 Y204 N263 L264 G270 E271 I461 M469 | N197-L267 HydrophobicContact CB-CD2 3.98Å; N197-L267 HydrophobicContact CB-CG 4.35Å; I201-L267 HydrophobicContact CG1-CD2 4.24Å; Y204-L267 HydrophobicContact CE2-CD2 4.24Å; N263-L267 WeakPolarHBondContact O-CG 3.05Å; N263-L267 PolarHBondContact O-N 2.92Å; L264-L267 PolarHBondContact O-N 3.5Å; L264-L267 VanDerWaalsContact O-N 3.13Å; L267-G270 PolarHBondContact O-N 3.3Å; L267-E271 WeakPolarHBondContact O-CB 3.37Å; L267-E271 PolarHBondContact O-N 2.77Å; L267-I461 HydrophobicContact CD1-CD1 3.91Å; L267-I461 HydrophobicContact CD1-CG1 4.28Å; L267-I461 HydrophobicContact CD2-CD1 4.45Å; L267-M469 HydrophobicContact CB-SD 4.42Å; L267-M469 HydrophobicContact CD1-SD 4.44Å |
| 268 | V | 78.4 | Confident | 76.1 | Confident | 10 Ų | 10 | 13.4 Ų | 13.4 | 6% | 0.061 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.7 | -45 | -177.3 | 175.9 | 0 | 0 | 0 | 0 | 111.2 | I251 L264 S272 M469 | I251-V268 HydrophobicContact CG2-CG1 4.16Å; L264-V268 HydrophobicContact CD1-CG2 3.9Å; L264-V268 PolarHBondContact O-N 3.39Å; V268-S272 VanDerWaalsContact O-CB 3.29Å; V268-S272 WeakPolarHBondContact O-CB 3.39Å; V268-S272 PolarHBondContact O-N 2.77Å; V268-S272 PolarHBondContact O-OG 2.83Å; V268-M469 HydrophobicContact CG2-CG 4.07Å |
| 269 | F | 78.4 | Confident | 77.6 | Confident | 1 Ų | 1 | 12.6 Ų | 12.6 | 0% | 0.004 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 173.9 | 171.8 | -122 | 0 | 0 | 0 | 112.4 | A185 L189 F194 P248 L252 F265 E271 S272 A273 L373 | A185-F269 HydrophobicContact CB-CD2 4.31Å; A185-F269 HydrophobicContact CB-CE2 3.4Å; A185-F269 VanDerWaalsContact CB-CE2 3.4Å; A185-F269 HydrophobicContact CB-CZ 3.53Å; L189-F269 HydrophobicContact CD1-CD1 3.54Å; L189-F269 HydrophobicContact CD1-CE1 3.79Å; L189-F269 HydrophobicContact CD2-CD1 4.25Å; L189-F269 HydrophobicContact CD2-CE1 3.84Å; L189-F269 HydrophobicContact CG-CD1 4.5Å; L189-F269 HydrophobicContact CG-CE1 4.33Å; F194-F269 HydrophobicContact CE2-CD1 4.49Å; P248-F269 HydrophobicContact CB-CD2 4.24Å; L252-F269 HydrophobicContact CD1-CB 3.67Å; L252-F269 HydrophobicContact CD1-CD2 3.41Å; L252-F269 VanDerWaalsContact CD1-CD2 3.41Å; L252-F269 HydrophobicContact CD1-CE2 4.38Å; L252-F269 HydrophobicContact CD1-CG 3.86Å; L252-F269 HydrophobicContact CD2-CB 3.91Å; L252-F269 HydrophobicContact CG-CB 4.44Å; F265-F269 VanDerWaalsContact O-CB 3.26Å; F265-F269 WeakPolarHBondContact O-CB 3.42Å; F265-F269 PolarHBondContact O-N 3.38Å; F269-E271 VanDerWaalsContact C-N 3.33Å; F269-E271 PolarHBondContact O-N 3.06Å; F269-S272 PolarHBondContact O-N 3.25Å; F269-A273 HydrophobicContact CD2-CB 4.08Å; F269-A273 HydrophobicContact CE2-CB 3.71Å; F269-A273 HydrophobicContact CZ-CB 4.15Å; F269-A273 WeakPolarHBondContact O-CB 3.28Å; F269-A273 PolarHBondContact O-N 2.86Å; F269-L373 HydrophobicContact CE1-CD1 3.97Å; F269-L373 HydrophobicContact CZ-CD1 3.52Å |
| 270 | G | 80.6 | Confident | 78.7 | Confident | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -67.2 | -35 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I201 A266 L267 L274 | I201-G270 VanDerWaalsContact CG2-C 3.42Å; I201-G270 WeakPolarHBondContact CG2-O 3.28Å; A266-G270 PolarHBondContact O-N 3.12Å; A266-G270 VanDerWaalsContact O-N 3.1Å; L267-G270 PolarHBondContact O-N 3.3Å; G270-L274 WeakPolarHBondContact O-CB 3.3Å; G270-L274 WeakPolarHBondContact O-CG 3.41Å |
| 271 | E | 84.1 | Confident | 79.6 | Confident | 4 Ų | 4 | 9 Ų | 9 | 2% | 0.019 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -63 | -59.3 | 170 | -177.4 | -170.2 | 138.6 | 0 | 0 | 110.3 | L267 F269 A273 L274 N275 R442 M469 | L267-E271 WeakPolarHBondContact O-CB 3.37Å; L267-E271 PolarHBondContact O-N 2.77Å; F269-E271 VanDerWaalsContact C-N 3.33Å; F269-E271 PolarHBondContact O-N 3.06Å; E271-A273 PolarHBondContact O-N 2.81Å; E271-L274 PolarHBondContact O-N 3.26Å; E271-L274 VanDerWaalsContact O-N 3.15Å; E271-N275 WeakPolarHBondContact O-CB 3.42Å; E271-N275 PolarHBondContact O-N 2.69Å; E271-N275 PolarHBondContact O-OD1 2.87Å; E271-R442 IonicContact OE1-CZ 3.16Å; E271-R442 IonicContact OE1-NH1 2.66Å; E271-R442 PolarHBondContact OE1-NH1 2.96Å; E271-R442 IonicContact OE1-NH2 3.31Å; E271-R442 PolarHBondContact OE1-NH2 3.29Å; E271-M469 WeakPolarHBondContact OE2-CE 3.05Å |
| 272 | S | 80.5 | Confident | 80.4 | Confident | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -70 | -6.2 | -175.2 | -63.7 | 0 | 0 | 0 | 0 | 115.6 | T246 P248 V268 F269 N275 | T246-S272 VanDerWaalsContact O-CB 3.31Å; T246-S272 WeakPolarHBondContact O-CB 2.78Å; T246-S272 PolarHBondContact OG1-OG 3.23Å; T246-S272 VanDerWaalsContact OG1-OG 3.14Å; P248-S272 VanDerWaalsContact CD-O 3.31Å; P248-S272 WeakPolarHBondContact CD-O 3.33Å; P248-S272 WeakPolarHBondContact CG-O 3.35Å; V268-S272 VanDerWaalsContact O-CB 3.29Å; V268-S272 WeakPolarHBondContact O-CB 3.39Å; V268-S272 PolarHBondContact O-N 2.77Å; V268-S272 PolarHBondContact O-OG 2.83Å; F269-S272 PolarHBondContact O-N 3.25Å; S272-N275 WeakPolarHBondContact CA-OD1 3.4Å; S272-N275 PolarHBondContact O-OD1 2.94Å |
| 273 | A | 77.4 | Confident | 80.9 | Confident | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.041 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -10.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | F269 E271 L373 | F269-A273 HydrophobicContact CD2-CB 4.08Å; F269-A273 HydrophobicContact CE2-CB 3.71Å; F269-A273 HydrophobicContact CZ-CB 4.15Å; F269-A273 WeakPolarHBondContact O-CB 3.28Å; F269-A273 PolarHBondContact O-N 2.86Å; E271-A273 PolarHBondContact O-N 2.81Å; A273-L373 HydrophobicContact CB-CD2 4.11Å |
| 274 | L | 82.2 | Confident | 81.1 | Confident | 2 Ų | 2 | 10.7 Ų | 10.7 | 1% | 0.01 | 6% | 0.055 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -25.5 | -178.6 | -63.7 | -173 | 0 | 0 | 0 | 112.7 | I201 L202 A205 G270 E271 D276 A277 V278 F316 V370 L373 | I201-L274 HydrophobicContact CG2-CD1 3.87Å; L202-L274 HydrophobicContact CD2-CD1 4.19Å; A205-L274 HydrophobicContact CB-CB 3.67Å; G270-L274 WeakPolarHBondContact O-CB 3.3Å; G270-L274 WeakPolarHBondContact O-CG 3.41Å; E271-L274 PolarHBondContact O-N 3.26Å; E271-L274 VanDerWaalsContact O-N 3.15Å; L274-D276 VanDerWaalsContact C-N 3.3Å; L274-D276 PolarHBondContact O-N 3.43Å; L274-A277 PolarHBondContact O-N 3.27Å; L274-V278 WeakPolarHBondContact O-CG2 3.22Å; L274-V278 PolarHBondContact O-N 2.93Å; L274-F316 HydrophobicContact CD1-CE2 3.93Å; L274-F316 HydrophobicContact CD1-CZ 4.27Å; L274-F316 HydrophobicContact CD2-CE2 3.82Å; L274-F316 HydrophobicContact CG-CE2 4.45Å; L274-V370 HydrophobicContact CD2-CG2 4.36Å; L274-L373 HydrophobicContact CD2-CD2 3.72Å; L274-L373 HydrophobicContact CG-CD2 4.47Å |
| 275 | N | 85.2 | Confident | 81.4 | Confident | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -61.1 | -36 | 173.2 | 62.2 | -15.5 | 0 | 0 | 0 | 112.7 | T209 T246 E271 S272 A277 V278 A279 | T209-N275 HydrophobicContact CG2-CB 3.29Å; T246-N275 PolarHBondContact N-ND2 3.26Å; T246-N275 VanDerWaalsContact N-ND2 3.19Å; T246-N275 PolarHBondContact OG1-ND2 2.64Å; E271-N275 WeakPolarHBondContact O-CB 3.42Å; E271-N275 PolarHBondContact O-N 2.69Å; E271-N275 PolarHBondContact O-OD1 2.87Å; S272-N275 WeakPolarHBondContact CA-OD1 3.4Å; S272-N275 PolarHBondContact O-OD1 2.94Å; N275-A277 VanDerWaalsContact C-N 3.32Å; N275-A277 PolarHBondContact O-N 3.38Å; N275-V278 CarbonylContact O-C 3.57Å; N275-V278 PolarHBondContact O-N 2.04Å; N275-V278 VanDerWaalsContact O-N 3.08Å; N275-A279 WeakPolarHBondContact O-CB 3.37Å; N275-A279 PolarHBondContact O-N 3.37Å |
| 276 | D | 82.1 | Confident | 81.8 | Confident | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.011 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -57.4 | -45.1 | 176 | -65.3 | -26.7 | 0 | 0 | 0 | 111.7 | A245 L274 V278 A279 I280 M504 | A245-D276 WeakPolarHBondContact CB-OD1 3.28Å; L274-D276 VanDerWaalsContact C-N 3.3Å; L274-D276 PolarHBondContact O-N 3.43Å; D276-V278 VanDerWaalsContact C-N 3.32Å; D276-V278 PolarHBondContact O-N 3.31Å; D276-A279 PolarHBondContact O-N 2.91Å; D276-I280 WeakPolarHBondContact O-CD1 3.12Å; D276-I280 VanDerWaalsContact O-CG1 3.28Å; D276-I280 WeakPolarHBondContact O-CG1 3.15Å; D276-I280 PolarHBondContact O-N 3.3Å; D276-M504 HydrophobicContact CB-CE 3.91Å; D276-M504 HydrophobicContact CB-CG 4.31Å; D276-M504 HydrophobicContact CB-SD 3.99Å; D276-M504 WeakPolarHBondContact OD2-CE 3.46Å; D276-M504 WeakPolarHBondContact OD2-CG 3.3Å |
| 277 | A | 79.7 | Confident | 81.8 | Confident | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.008 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -65.8 | -33.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L274 N275 V281 V370 | L274-A277 PolarHBondContact O-N 3.27Å; N275-A277 VanDerWaalsContact C-N 3.32Å; N275-A277 PolarHBondContact O-N 3.38Å; A277-V281 WeakPolarHBondContact O-CG2 3.16Å; A277-V281 PolarHBondContact O-N 3.1Å; A277-V370 HydrophobicContact CB-CG2 3.63Å |
| 278 | V | 84.2 | Confident | 81.5 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.024 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -71.8 | -42.1 | 173.7 | -176 | 0 | 0 | 0 | 0 | 110.8 | A205 V206 T209 L274 N275 D276 I280 V281 L282 F312 | A205-V278 WeakPolarHBondContact O-CG2 3.13Å; V206-V278 HydrophobicContact CG2-CG2 4.25Å; T209-V278 WeakPolarHBondContact OG1-CG1 3.32Å; L274-V278 WeakPolarHBondContact O-CG2 3.22Å; L274-V278 PolarHBondContact O-N 2.93Å; N275-V278 CarbonylContact O-C 3.57Å; N275-V278 PolarHBondContact O-N 2.04Å; N275-V278 VanDerWaalsContact O-N 3.08Å; D276-V278 VanDerWaalsContact C-N 3.32Å; D276-V278 PolarHBondContact O-N 3.31Å; V278-I280 PolarHBondContact O-N 3.33Å; V278-V281 PolarHBondContact O-N 3.1Å; V278-V281 VanDerWaalsContact O-N 3.17Å; V278-L282 HydrophobicContact CG1-CD1 3.87Å; V278-L282 HydrophobicContact CG1-CG 4.12Å; V278-L282 WeakPolarHBondContact O-CB 2.91Å; V278-L282 WeakPolarHBondContact O-CG 3.17Å; V278-L282 PolarHBondContact O-N 3.38Å; V278-F312 HydrophobicContact CB-CD2 4.46Å; V278-F312 HydrophobicContact CB-CE2 4.18Å; V278-F312 HydrophobicContact CG2-CD2 3.89Å; V278-F312 HydrophobicContact CG2-CE1 4.27Å; V278-F312 HydrophobicContact CG2-CE2 3.25Å; V278-F312 HydrophobicContact CG2-CZ 3.48Å; V278-F312 VanDerWaalsContact CG2-CZ 3.48Å |
| 279 | A | 85.9 | Confident | 81 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61.8 | -40.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A245 N275 D276 L282 S283 | A245-A279 HydrophobicContact CB-CB 4.04Å; N275-A279 WeakPolarHBondContact O-CB 3.37Å; N275-A279 PolarHBondContact O-N 3.37Å; D276-A279 PolarHBondContact O-N 2.91Å; A279-L282 PolarHBondContact O-N 2.96Å; A279-S283 PolarHBondContact O-N 3.4Å; A279-S283 PolarHBondContact O-OG 3.39Å |
| 280 | I | 81.4 | Confident | 80.4 | Confident | 19 Ų | 19 | 29.7 Ų | 29.7 | 10% | 0.097 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.8 | -44.5 | 172.4 | -70 | 160.6 | 0 | 0 | 0 | 111.4 | F174 D276 V278 S283 Q284 I369 L508 | F174-I280 HydrophobicContact CE1-CD1 4.27Å; D276-I280 WeakPolarHBondContact O-CD1 3.12Å; D276-I280 VanDerWaalsContact O-CG1 3.28Å; D276-I280 WeakPolarHBondContact O-CG1 3.15Å; D276-I280 PolarHBondContact O-N 3.3Å; V278-I280 PolarHBondContact O-N 3.33Å; I280-S283 PolarHBondContact O-OG 2.93Å; I280-S283 VanDerWaalsContact O-OG 3.08Å; I280-Q284 WeakPolarHBondContact O-CB 3.28Å; I280-Q284 VanDerWaalsContact O-CG 3.24Å; I280-Q284 WeakPolarHBondContact O-CG 3.28Å; I280-Q284 PolarHBondContact O-N 3.25Å; I280-I369 HydrophobicContact CD1-CD1 3.77Å; I280-L508 HydrophobicContact CG1-CD2 4.04Å |
| 281 | V | 82.2 | Confident | 79.2 | Confident | 18 Ų | 18 | 33.2 Ų | 33.2 | 11% | 0.109 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.7 | -35.6 | 178.9 | 173.5 | 0 | 0 | 0 | 0 | 111.4 | A277 V278 T285 F312 | A277-V281 WeakPolarHBondContact O-CG2 3.16Å; A277-V281 PolarHBondContact O-N 3.1Å; V278-V281 PolarHBondContact O-N 3.1Å; V278-V281 VanDerWaalsContact O-N 3.17Å; V281-T285 VanDerWaalsContact O-CB 3.23Å; V281-T285 WeakPolarHBondContact O-CB 3.25Å; V281-T285 PolarHBondContact O-N 3.18Å; V281-T285 PolarHBondContact O-OG1 3.49Å; V281-F312 HydrophobicContact CB-CD2 4.46Å; V281-F312 HydrophobicContact CG1-CB 4.14Å; V281-F312 HydrophobicContact CG2-CD2 4.35Å |
| 282 | L | 84.6 | Confident | 77.5 | Confident | 26 Ų | 26 | 38 Ų | 38 | 14% | 0.136 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.7 | -44.4 | 175.3 | -73.6 | 173.8 | 0 | 0 | 0 | 112 | C213 A241 V278 A279 T285 I286 | C213-L282 HydrophobicContact CB-CD1 4.15Å; A241-L282 HydrophobicContact CB-CB 3.98Å; V278-L282 HydrophobicContact CG1-CD1 3.87Å; V278-L282 HydrophobicContact CG1-CG 4.12Å; V278-L282 WeakPolarHBondContact O-CB 2.91Å; V278-L282 WeakPolarHBondContact O-CG 3.17Å; V278-L282 PolarHBondContact O-N 3.38Å; A279-L282 PolarHBondContact O-N 2.96Å; L282-T285 WeakPolarHBondContact O-CB 3.36Å; L282-T285 PolarHBondContact O-N 2.77Å; L282-I286 WeakPolarHBondContact O-CD1 3.42Å; L282-I286 VanDerWaalsContact O-CG1 3.26Å; L282-I286 WeakPolarHBondContact O-CG1 3.18Å; L282-I286 PolarHBondContact O-N 2.95Å |
| 283 | S | 84.9 | Confident | 75.8 | Confident | 9 Ų | 9 | 44.8 Ų | 44.8 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.8 | -49.2 | 178.3 | 61.7 | 0 | 0 | 0 | 0 | 111.5 | A279 I280 T285 I286 E287 | A279-S283 PolarHBondContact O-N 3.4Å; A279-S283 PolarHBondContact O-OG 3.39Å; I280-S283 PolarHBondContact O-OG 2.93Å; I280-S283 VanDerWaalsContact O-OG 3.08Å; S283-T285 PolarHBondContact O-N 3.03Å; S283-I286 PolarHBondContact O-N 3.34Å; S283-I286 VanDerWaalsContact O-N 3.1Å; S283-E287 WeakPolarHBondContact O-CG 3.46Å; S283-E287 PolarHBondContact O-N 3.25Å |
| 284 | Q | 80.6 | Confident | 74.3 | Confident | 95 Ų | 95 | 53.1 Ų | 53.1 | 44% | 0.444 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58 | -35.3 | 175 | -70.7 | 175.1 | 10.2 | 0 | 0 | 112.8 | I280 K288 | I280-Q284 WeakPolarHBondContact O-CB 3.28Å; I280-Q284 VanDerWaalsContact O-CG 3.24Å; I280-Q284 WeakPolarHBondContact O-CG 3.28Å; I280-Q284 PolarHBondContact O-N 3.25Å; Q284-K288 VanDerWaalsContact O-CB 3.23Å; Q284-K288 WeakPolarHBondContact O-CB 3Å; Q284-K288 PolarHBondContact O-N 2.94Å; Q284-K288 VanDerWaalsContact O-N 3.1Å |
| 285 | T | 80.8 | Confident | 72.6 | Confident | 24 Ų | 24 | 60.1 Ų | 60.1 | 15% | 0.147 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.6 | -51.1 | 174.4 | -67.3 | 0 | 0 | 0 | 0 | 110.7 | V281 L282 S283 K288 Y289 S308 | V281-T285 VanDerWaalsContact O-CB 3.23Å; V281-T285 WeakPolarHBondContact O-CB 3.25Å; V281-T285 PolarHBondContact O-N 3.18Å; V281-T285 PolarHBondContact O-OG1 3.49Å; L282-T285 WeakPolarHBondContact O-CB 3.36Å; L282-T285 PolarHBondContact O-N 2.77Å; S283-T285 PolarHBondContact O-N 3.03Å; T285-K288 PolarHBondContact O-N 3.49Å; T285-Y289 HydrophobicContact CG2-CD2 3.83Å; T285-Y289 HydrophobicContact CG2-CE2 4.01Å; T285-Y289 WeakPolarHBondContact O-CD2 3.26Å; T285-Y289 PolarHBondContact O-N 2.81Å; T285-S308 WeakPolarHBondContact CG2-OG 3.27Å |
| 286 | I | 83.7 | Confident | 70.4 | Confident | 25 Ų | 25 | 64.9 Ų | 64.9 | 13% | 0.128 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66.1 | -41.8 | -177.3 | -65.5 | 158 | 0 | 0 | 0 | 111 | S234 L237 L238 A241 L282 S283 K288 Y289 S290 | S234-I286 VanDerWaalsContact O-CG2 3.22Å; S234-I286 WeakPolarHBondContact O-CG2 3.15Å; L237-I286 HydrophobicContact CB-CD1 4.05Å; L237-I286 HydrophobicContact CB-CG2 4.35Å; L238-I286 HydrophobicContact CB-CG2 3.96Å; A241-I286 HydrophobicContact CB-CD1 3.91Å; L282-I286 WeakPolarHBondContact O-CD1 3.42Å; L282-I286 VanDerWaalsContact O-CG1 3.26Å; L282-I286 WeakPolarHBondContact O-CG1 3.18Å; L282-I286 PolarHBondContact O-N 2.95Å; S283-I286 PolarHBondContact O-N 3.34Å; S283-I286 VanDerWaalsContact O-N 3.1Å; I286-K288 VanDerWaalsContact C-N 3.34Å; I286-K288 PolarHBondContact O-N 2.77Å; I286-Y289 CarbonylContact O-C 3.54Å; I286-Y289 PolarHBondContact O-N 3.26Å; I286-S290 PolarHBondContact O-N 2.68Å |
| 287 | E | 79.4 | Confident | 68.8 | Low | 77 Ų | 77 | 69.7 Ų | 69.7 | 36% | 0.36 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 173.8 | -71.7 | -176.4 | 135.9 | 0 | 0 | 111.5 | L238 S283 Y289 S290 N512 | L238-E287 HydrophobicContact CD1-CG 3.91Å; L238-E287 HydrophobicContact CD2-CG 3.86Å; S283-E287 WeakPolarHBondContact O-CG 3.46Å; S283-E287 PolarHBondContact O-N 3.25Å; E287-Y289 VanDerWaalsContact C-N 3.32Å; E287-Y289 PolarHBondContact O-N 3.34Å; E287-S290 WeakPolarHBondContact O-CB 3.26Å; E287-S290 PolarHBondContact O-N 3.32Å; E287-N512 PolarHBondContact OE1-ND2 2.95Å |
| 288 | K | 74.3 | Confident | 67.2 | Low | 153 Ų | 153 | 74.8 Ų | 74.8 | 67% | 0.665 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -70.4 | -22.4 | 179.5 | -176.5 | 159.9 | -174.6 | 155.1 | 0 | 114.5 | Q284 T285 I286 | Q284-K288 VanDerWaalsContact O-CB 3.23Å; Q284-K288 WeakPolarHBondContact O-CB 3Å; Q284-K288 PolarHBondContact O-N 2.94Å; Q284-K288 VanDerWaalsContact O-N 3.1Å; T285-K288 PolarHBondContact O-N 3.49Å; I286-K288 VanDerWaalsContact C-N 3.34Å; I286-K288 PolarHBondContact O-N 2.77Å |
| 289 | Y | 68.2 | Low | 65.2 | Low | 109 Ų | 109 | 79.3 Ų | 79.3 | 43% | 0.427 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -102 | 3.8 | 174.5 | -69.8 | -65.6 | 0 | 0 | 0 | 113.4 | T285 I286 E287 A304 | T285-Y289 HydrophobicContact CG2-CD2 3.83Å; T285-Y289 HydrophobicContact CG2-CE2 4.01Å; T285-Y289 WeakPolarHBondContact O-CD2 3.26Å; T285-Y289 PolarHBondContact O-N 2.81Å; I286-Y289 CarbonylContact O-C 3.54Å; I286-Y289 PolarHBondContact O-N 3.26Å; E287-Y289 VanDerWaalsContact C-N 3.32Å; E287-Y289 PolarHBondContact O-N 3.34Å; Y289-A304 HydrophobicContact CD1-CB 4.38Å; Y289-A304 HydrophobicContact CD2-CB 4.29Å; Y289-A304 HydrophobicContact CE1-CB 3.84Å; Y289-A304 HydrophobicContact CE2-CB 3.76Å |
| 290 | S | 66 | Low | 63.7 | Low | 54 Ų | 54 | 86.9 Ų | 86.9 | 38% | 0.378 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -65.9 | 131.2 | 169.6 | -157.5 | 0 | 0 | 0 | 0 | 109.1 | S234 I286 E287 S292 | S234-S290 PolarHBondContact OG-OG 3.03Å; I286-S290 PolarHBondContact O-N 2.68Å; E287-S290 WeakPolarHBondContact O-CB 3.26Å; E287-S290 PolarHBondContact O-N 3.32Å; S290-S292 PolarHBondContact O-N 3.01Å; S290-S292 VanDerWaalsContact O-N 3.07Å |
| 291 | P | 55.1 | Low | 62.8 | Low | 75 Ų | 75 | 89.7 Ų | 89.7 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | trans | -70.4 | 110.2 | -161.7 | 25.4 | -34.5 | 0 | 0 | 0 | 112.7 | T293 | P291-T293 PolarHBondContact O-N 3.42Š| ||
| 292 | S | 48.2 | Very low | 62.1 | Low | 105 Ų | 105 | 91 Ų | 91 | 73% | 0.734 | 53% | 0.529 | S | S | * | . | trans | -72.9 | 69.6 | 163.2 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | S290 E294 | S290-S292 PolarHBondContact O-N 3.01Å; S290-S292 VanDerWaalsContact O-N 3.07Å; S292-E294 PolarHBondContact O-N 2.94Å | ||
| 293 | T | 46.3 | Very low | 61.4 | Low | 141 Ų | 141 | 97.3 Ų | 97.3 | 87% | 0.865 | 56% | 0.555 | S | S | * | * | S | Bend | trans | 62.6 | -21.8 | 161 | -36.8 | 0 | 0 | 0 | 0 | 119.1 | P291 | P291-T293 PolarHBondContact O-N 3.42Š|
| 294 | E | 44.8 | Very low | 60.6 | Low | 176 Ų | 176 | 97.8 Ų | 97.8 | 82% | 0.822 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -113.1 | 0.9 | -162.7 | -62.2 | -171.4 | 166 | 0 | 0 | 116.6 | S292 | S292-E294 PolarHBondContact O-N 2.94Š|
| 295 | L | 46.3 | Very low | 59.9 | Low | 149 Ų | 149 | 98.3 Ų | 98.3 | 78% | 0.78 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -131.5 | 137.6 | -179 | -78.1 | 166.9 | 0 | 0 | 0 | 113 | A297 | L295-A297 PolarHBondContact O-N 2.88Š|
| 296 | P | 40.5 | Very low | 59.7 | Low | 101 Ų | 101 | 102.2 Ų | 102.2 | 66% | 0.656 | 59% | 0.588 | S | S | * | * | trans | -63 | 130 | 178.6 | -22.9 | 33.8 | 0 | 0 | 0 | 113.1 | S298 | P296-S298 PolarHBondContact O-N 3.45Š| ||
| 297 | A | 47.1 | Very low | 59.3 | Low | 102 Ų | 102 | 104.3 Ų | 104.3 | 84% | 0.843 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 33.5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | L295 | L295-A297 PolarHBondContact O-N 2.88Š|
| 298 | S | 47.1 | Very low | 58.9 | Low | 108 Ų | 108 | 100.9 Ų | 100.9 | 76% | 0.755 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.5 | -8.2 | -169.9 | 56.8 | 0 | 0 | 0 | 0 | 115.8 | P296 | P296-S298 PolarHBondContact O-N 3.45Š|
| 299 | S | 42.7 | Very low | 58.9 | Low | 100 Ų | 100 | 96.1 Ų | 96.1 | 70% | 0.699 | 57% | 0.57 | S | S | * | * | trans | -112.8 | 102 | 174.5 | 52 | 0 | 0 | 0 | 0 | 112.1 | D301 | S299-D301 PolarHBondContact O-N 3.23Š| ||
| 300 | L | 53.2 | Low | 59.4 | Low | 159 Ų | 159 | 93 Ų | 93 | 83% | 0.832 | 57% | 0.571 | S | S | * | * | trans | -70.2 | 81.3 | 164 | -171.6 | 87.3 | 0 | 0 | 0 | 108.7 | G302 | L300-G302 PolarHBondContact O-N 2.78Š| ||
| 301 | D | 62.8 | Low | 60.1 | Low | 78 Ų | 78 | 95.6 Ų | 95.6 | 42% | 0.417 | 57% | 0.573 | S | S | . | * | trans | -58.9 | 115.2 | -175.7 | -175.9 | 1.3 | 0 | 0 | 0 | 110.7 | S299 K303 A304 L305 | S299-D301 PolarHBondContact O-N 3.23Å; D301-K303 PolarHBondContact O-N 2.98Å; D301-K303 WeakPolarHBondContact OD1-CB 3.22Å; D301-K303 VanDerWaalsContact OD1-CG 3.28Å; D301-K303 WeakPolarHBondContact OD1-CG 3.5Å; D301-K303 PolarHBondContact OD1-N 3.29Å; D301-A304 HydrophobicContact CB-CB 4.49Å; D301-A304 VanDerWaalsContact O-CB 3.26Å; D301-A304 WeakPolarHBondContact O-CB 3.27Å; D301-A304 PolarHBondContact O-N 3.17Å; D301-L305 PolarHBondContact O-N 2.65Å | ||
| 302 | G | 67 | Low | 61.2 | Low | 45 Ų | 45 | 92.6 Ų | 92.6 | 46% | 0.464 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -56.2 | -25.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | L300 A304 L305 V306 | L300-G302 PolarHBondContact O-N 2.78Å; G302-A304 VanDerWaalsContact C-N 3.33Å; G302-A304 PolarHBondContact O-N 3.37Å; G302-L305 PolarHBondContact O-N 2.68Å; G302-V306 WeakPolarHBondContact O-CB 3.35Å; G302-V306 VanDerWaalsContact O-CG2 3.3Å; G302-V306 WeakPolarHBondContact O-CG2 3.3Å; G302-V306 PolarHBondContact O-N 3.46Å |
| 303 | K | 70.9 | Confident | 62.9 | Low | 159 Ų | 159 | 91.5 Ų | 91.5 | 69% | 0.691 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -64.7 | -36 | 173.1 | -57.7 | 169.3 | -168.9 | 164.2 | 0 | 112 | D301 N307 | D301-K303 PolarHBondContact O-N 2.98Å; D301-K303 WeakPolarHBondContact OD1-CB 3.22Å; D301-K303 VanDerWaalsContact OD1-CG 3.28Å; D301-K303 WeakPolarHBondContact OD1-CG 3.5Å; D301-K303 PolarHBondContact OD1-N 3.29Å; K303-N307 WeakPolarHBondContact O-CB 3.18Å; K303-N307 PolarHBondContact O-N 2.89Å |
| 304 | A | 66.6 | Low | 64.8 | Low | 18 Ų | 18 | 87 Ų | 87 | 15% | 0.149 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -64.3 | -45.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y289 D301 G302 S308 | Y289-A304 HydrophobicContact CD1-CB 4.38Å; Y289-A304 HydrophobicContact CD2-CB 4.29Å; Y289-A304 HydrophobicContact CE1-CB 3.84Å; Y289-A304 HydrophobicContact CE2-CB 3.76Å; D301-A304 HydrophobicContact CB-CB 4.49Å; D301-A304 VanDerWaalsContact O-CB 3.26Å; D301-A304 WeakPolarHBondContact O-CB 3.27Å; D301-A304 PolarHBondContact O-N 3.17Å; G302-A304 VanDerWaalsContact C-N 3.33Å; G302-A304 PolarHBondContact O-N 3.37Å; A304-S308 WeakPolarHBondContact O-CB 3.32Å; A304-S308 PolarHBondContact O-N 3.49Å; A304-S308 PolarHBondContact O-OG 2.98Å |
| 305 | L | 67.7 | Low | 66.8 | Low | 106 Ų | 106 | 80.2 Ų | 80.2 | 56% | 0.555 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.6 | -47.7 | 176.1 | -174.4 | 64.4 | 0 | 0 | 0 | 111.7 | D301 G302 N307 S308 C309 | D301-L305 PolarHBondContact O-N 2.65Å; G302-L305 PolarHBondContact O-N 2.68Å; L305-N307 PolarHBondContact O-N 3.46Å; L305-S308 PolarHBondContact O-N 3.13Å; L305-S308 VanDerWaalsContact O-N 3.16Å; L305-C309 PolarHBondContact O-N 2.92Å; L305-C309 PolarHBondContact O-SG 3.29Å; L305-C309 VanDerWaalsContact O-SG 3.41Å |
| 306 | V | 75.2 | Confident | 68.7 | Low | 106 Ų | 106 | 73.3 Ų | 73.3 | 64% | 0.642 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -63.2 | -41.7 | 178.9 | 170.3 | 0 | 0 | 0 | 0 | 112.1 | G302 S308 C309 G310 | G302-V306 WeakPolarHBondContact O-CB 3.35Å; G302-V306 VanDerWaalsContact O-CG2 3.3Å; G302-V306 WeakPolarHBondContact O-CG2 3.3Å; G302-V306 PolarHBondContact O-N 3.46Å; V306-S308 VanDerWaalsContact C-N 3.29Å; V306-S308 PolarHBondContact O-N 3.46Å; V306-C309 PolarHBondContact O-N 2.56Å; V306-G310 PolarHBondContact O-N 3.16Å |
| 307 | N | 75.7 | Confident | 71 | Confident | 69 Ų | 69 | 73.2 Ų | 73.2 | 37% | 0.369 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61 | -39.6 | 173.8 | -175 | 6.8 | 0 | 0 | 0 | 111.4 | K303 L305 G310 R311 | K303-N307 WeakPolarHBondContact O-CB 3.18Å; K303-N307 PolarHBondContact O-N 2.89Å; L305-N307 PolarHBondContact O-N 3.46Å; N307-G310 PolarHBondContact O-N 2.82Å; N307-R311 PolarHBondContact ND2-NH2 2.98Å; N307-R311 WeakPolarHBondContact O-CG 3.43Å; N307-R311 PolarHBondContact O-N 3.37Å |
| 308 | S | 70.3 | Confident | 73.1 | Confident | 6 Ų | 6 | 69.6 Ų | 69.6 | 4% | 0.042 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -70.4 | -39.4 | 179.4 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | T285 A304 L305 V306 R311 F312 | T285-S308 WeakPolarHBondContact CG2-OG 3.27Å; A304-S308 WeakPolarHBondContact O-CB 3.32Å; A304-S308 PolarHBondContact O-N 3.49Å; A304-S308 PolarHBondContact O-OG 2.98Å; L305-S308 PolarHBondContact O-N 3.13Å; L305-S308 VanDerWaalsContact O-N 3.16Å; V306-S308 VanDerWaalsContact C-N 3.29Å; V306-S308 PolarHBondContact O-N 3.46Å; S308-R311 PolarHBondContact O-N 3.18Å; S308-F312 PolarHBondContact O-N 2.98Å |
| 309 | C | 74.3 | Confident | 75.2 | Confident | 52 Ų | 52 | 64.4 Ų | 64.4 | 35% | 0.351 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 167.8 | -67.7 | 0 | 0 | 0 | 0 | 112 | L305 V306 F312 F313 | L305-C309 PolarHBondContact O-N 2.92Å; L305-C309 PolarHBondContact O-SG 3.29Å; L305-C309 VanDerWaalsContact O-SG 3.41Å; V306-C309 PolarHBondContact O-N 2.56Å; C309-F312 PolarHBondContact O-N 3.38Å; C309-F313 WeakPolarHBondContact O-CD2 3.29Å; C309-F313 PolarHBondContact O-N 3.35Å |
| 310 | G | 80.4 | Confident | 77.5 | Confident | 45 Ų | 45 | 62.4 Ų | 62.4 | 46% | 0.464 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V306 N307 F313 G314 | V306-G310 PolarHBondContact O-N 3.16Å; N307-G310 PolarHBondContact O-N 2.82Å; G310-F313 PolarHBondContact O-N 3.26Å; G310-G314 PolarHBondContact O-N 3.34Å |
| 311 | R | 80 | Confident | 79.3 | Confident | 108 Ų | 108 | 56.5 Ų | 56.5 | 41% | 0.408 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.6 | -45.7 | 172.3 | -74.3 | 178.2 | -176.9 | 143.5 | 4.7 | 111.7 | N307 S308 F313 G314 V315 | N307-R311 PolarHBondContact ND2-NH2 2.98Å; N307-R311 WeakPolarHBondContact O-CG 3.43Å; N307-R311 PolarHBondContact O-N 3.37Å; S308-R311 PolarHBondContact O-N 3.18Å; R311-F313 PolarHBondContact O-N 3.03Å; R311-G314 PolarHBondContact O-N 3.39Å; R311-V315 WeakPolarHBondContact O-CB 3.14Å; R311-V315 WeakPolarHBondContact O-CG2 3.23Å; R311-V315 PolarHBondContact O-N 2.94Å |
| 312 | F | 77.5 | Confident | 80.9 | Confident | 11 Ų | 11 | 54.1 Ų | 54.1 | 5% | 0.048 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.4 | -51.6 | 176.7 | 173 | -96 | 0 | 0 | 0 | 111.4 | V206 V278 V281 S308 C309 G314 V315 F316 | V206-F312 HydrophobicContact CG1-CD1 4.35Å; V206-F312 HydrophobicContact CG1-CE1 4.4Å; V206-F312 HydrophobicContact CG2-CD1 4.12Å; V206-F312 HydrophobicContact CG2-CE1 3.37Å; V206-F312 HydrophobicContact CG2-CZ 3.87Å; V278-F312 HydrophobicContact CB-CD2 4.46Å; V278-F312 HydrophobicContact CB-CE2 4.18Å; V278-F312 HydrophobicContact CG2-CD2 3.89Å; V278-F312 HydrophobicContact CG2-CE1 4.27Å; V278-F312 HydrophobicContact CG2-CE2 3.25Å; V278-F312 HydrophobicContact CG2-CZ 3.48Å; V278-F312 VanDerWaalsContact CG2-CZ 3.48Å; V281-F312 HydrophobicContact CB-CD2 4.46Å; V281-F312 HydrophobicContact CG1-CB 4.14Å; V281-F312 HydrophobicContact CG2-CD2 4.35Å; S308-F312 PolarHBondContact O-N 2.98Å; C309-F312 PolarHBondContact O-N 3.38Å; F312-G314 PolarHBondContact O-N 3.34Å; F312-V315 PolarHBondContact O-N 3.16Å; F312-F316 HydrophobicContact CE1-CB 4Å; F312-F316 HydrophobicContact CE1-CG 4.28Å; F312-F316 HydrophobicContact CE2-CB 4.18Å; F312-F316 HydrophobicContact CZ-CB 3.75Å; F312-F316 AromaticContact CZ-CD2 3.96Å; F312-F316 HydrophobicContact CZ-CD2 3.96Å; F312-F316 AromaticContact CZ-CG 3.97Å; F312-F316 HydrophobicContact CZ-CG 3.97Å; F312-F316 WeakPolarHBondContact O-CB 3.4Å; F312-F316 PolarHBondContact O-N 2.68Å |
| 313 | F | 84.3 | Confident | 82.1 | Confident | 82 Ų | 82 | 52 Ų | 52 | 36% | 0.36 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 179.7 | -74 | -61.1 | 0 | 0 | 0 | 112.5 | V206 C309 G310 R311 F317 | V206-F313 HydrophobicContact CG1-CZ 4.42Å; C309-F313 WeakPolarHBondContact O-CD2 3.29Å; C309-F313 PolarHBondContact O-N 3.35Å; G310-F313 PolarHBondContact O-N 3.26Å; R311-F313 PolarHBondContact O-N 3.03Å; F313-F317 HydrophobicContact CB-CD2 4.22Å; F313-F317 HydrophobicContact CB-CE2 4.27Å; F313-F317 HydrophobicContact CD1-CD2 4.44Å; F313-F317 AromaticContact CD1-CE2 3.79Å; F313-F317 HydrophobicContact CD1-CE2 3.79Å; F313-F317 HydrophobicContact CG-CE2 4.41Å; F313-F317 WeakPolarHBondContact O-CB 3.34Å; F313-F317 WeakPolarHBondContact O-CD2 3.22Å; F313-F317 PolarHBondContact O-N 3.45Å |
| 314 | G | 87.2 | Confident | 83.2 | Confident | 46 Ų | 46 | 46.3 Ų | 46.3 | 47% | 0.474 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.9 | -49.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | G310 R311 F312 G318 | G310-G314 PolarHBondContact O-N 3.34Å; R311-G314 PolarHBondContact O-N 3.39Å; F312-G314 PolarHBondContact O-N 3.34Å; G314-G318 PolarHBondContact O-N 2.92Å |
| 315 | V | 86.2 | Confident | 84.5 | Confident | 34 Ų | 34 | 50.9 Ų | 50.9 | 21% | 0.206 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -45.6 | 177.5 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | R311 F312 G318 S319 L366 T367 | R311-V315 WeakPolarHBondContact O-CB 3.14Å; R311-V315 WeakPolarHBondContact O-CG2 3.23Å; R311-V315 PolarHBondContact O-N 2.94Å; F312-V315 PolarHBondContact O-N 3.16Å; V315-G318 PolarHBondContact O-N 3.42Å; V315-S319 WeakPolarHBondContact O-CB 3.29Å; V315-S319 PolarHBondContact O-N 3.33Å; V315-S319 PolarHBondContact O-OG 2.94Å; V315-L366 HydrophobicContact CB-CD2 4.43Å; V315-L366 HydrophobicContact CG1-CD2 4.45Å; V315-L366 HydrophobicContact CG2-CD2 4.41Å; V315-T367 HydrophobicContact CG1-CG2 3.87Å |
| 316 | F | 85.1 | Confident | 85.8 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.6 | -51.7 | -179.9 | 175.5 | -95.5 | 0 | 0 | 0 | 112.2 | L202 L274 F312 S319 M320 V370 F374 | L202-F316 HydrophobicContact CD2-CE1 3.9Å; L202-F316 HydrophobicContact CD2-CE2 4.25Å; L202-F316 HydrophobicContact CD2-CZ 3.65Å; L274-F316 HydrophobicContact CD1-CE2 3.93Å; L274-F316 HydrophobicContact CD1-CZ 4.27Å; L274-F316 HydrophobicContact CD2-CE2 3.82Å; L274-F316 HydrophobicContact CG-CE2 4.45Å; F312-F316 HydrophobicContact CE1-CB 4Å; F312-F316 HydrophobicContact CE1-CG 4.28Å; F312-F316 HydrophobicContact CE2-CB 4.18Å; F312-F316 HydrophobicContact CZ-CB 3.75Å; F312-F316 AromaticContact CZ-CD2 3.96Å; F312-F316 HydrophobicContact CZ-CD2 3.96Å; F312-F316 AromaticContact CZ-CG 3.97Å; F312-F316 HydrophobicContact CZ-CG 3.97Å; F312-F316 WeakPolarHBondContact O-CB 3.4Å; F312-F316 PolarHBondContact O-N 2.68Å; F316-S319 PolarHBondContact O-N 3.38Å; F316-M320 HydrophobicContact CE1-SD 4.37Å; F316-M320 VanDerWaalsContact O-CB 3.28Å; F316-M320 WeakPolarHBondContact O-CB 3.39Å; F316-M320 PolarHBondContact O-N 3.38Å; F316-V370 HydrophobicContact CD2-CG1 3.94Å; F316-V370 HydrophobicContact CD2-CG2 4.5Å; F316-V370 HydrophobicContact CE2-CG1 3.96Å; F316-F374 HydrophobicContact CE2-CE2 4.21Å; F316-F374 HydrophobicContact CZ-CE2 4.05Å; F316-F374 HydrophobicContact CZ-CZ 4.23Å |
| 317 | F | 88.9 | Confident | 86.6 | Confident | 100 Ų | 100 | 41.5 Ų | 41.5 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -71.5 | -31.2 | 179.8 | -70.8 | -57.3 | 0 | 0 | 0 | 112.4 | F313 M320 G321 | F313-F317 HydrophobicContact CB-CD2 4.22Å; F313-F317 HydrophobicContact CB-CE2 4.27Å; F313-F317 HydrophobicContact CD1-CD2 4.44Å; F313-F317 AromaticContact CD1-CE2 3.79Å; F313-F317 HydrophobicContact CD1-CE2 3.79Å; F313-F317 HydrophobicContact CG-CE2 4.41Å; F313-F317 WeakPolarHBondContact O-CB 3.34Å; F313-F317 WeakPolarHBondContact O-CD2 3.22Å; F313-F317 PolarHBondContact O-N 3.45Å; F317-M320 HydrophobicContact CD1-CE 3.74Å; F317-M320 HydrophobicContact CD1-SD 4.3Å; F317-M320 HydrophobicContact CE1-CE 4.3Å; F317-G321 PolarHBondContact O-N 2.65Å |
| 318 | G | 91.5 | Very high | 87.4 | Confident | 25 Ų | 25 | 39.3 Ų | 39.3 | 26% | 0.258 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.4 | -55.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G314 V315 M320 G321 V322 | G314-G318 PolarHBondContact O-N 2.92Å; V315-G318 PolarHBondContact O-N 3.42Å; G318-M320 PolarHBondContact O-N 3.36Å; G318-G321 WeakPolarHBondContact O-CA 3.24Å; G318-G321 PolarHBondContact O-N 2.87Å; G318-V322 WeakPolarHBondContact O-CG2 3.29Å; G318-V322 PolarHBondContact O-N 2.81Å |
| 319 | S | 92.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 179 | -48.9 | 0 | 0 | 0 | 0 | 112 | V315 F316 G321 V322 G323 T367 S371 | V315-S319 WeakPolarHBondContact O-CB 3.29Å; V315-S319 PolarHBondContact O-N 3.33Å; V315-S319 PolarHBondContact O-OG 2.94Å; F316-S319 PolarHBondContact O-N 3.38Å; S319-G321 VanDerWaalsContact C-N 3.27Å; S319-G321 PolarHBondContact O-N 3.24Å; S319-V322 PolarHBondContact O-N 3.47Å; S319-G323 PolarHBondContact O-N 2.9Å; S319-T367 WeakPolarHBondContact CB-O 3.5Å; S319-T367 PolarHBondContact OG-N 3.38Å; S319-T367 PolarHBondContact OG-O 3.16Å; S319-T367 PolarHBondContact OG-OG1 3.34Å; S319-S371 WeakPolarHBondContact O-CA 3.4Å |
| 320 | M | 90 | Very high | 89.3 | Confident | 57 Ų | 57 | 39.8 Ų | 39.8 | 28% | 0.281 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.9 | -40 | 173.4 | -177.3 | -172.9 | 82.6 | 0 | 0 | 111.7 | F316 F317 G318 S324 F374 | F316-M320 HydrophobicContact CE1-SD 4.37Å; F316-M320 VanDerWaalsContact O-CB 3.28Å; F316-M320 WeakPolarHBondContact O-CB 3.39Å; F316-M320 PolarHBondContact O-N 3.38Å; F317-M320 HydrophobicContact CD1-CE 3.74Å; F317-M320 HydrophobicContact CD1-SD 4.3Å; F317-M320 HydrophobicContact CE1-CE 4.3Å; G318-M320 PolarHBondContact O-N 3.36Å; M320-S324 WeakPolarHBondContact O-CB 3.47Å; M320-S324 PolarHBondContact O-N 3.49Å; M320-S324 PolarHBondContact O-OG 2.85Å; M320-F374 HydrophobicContact CB-CD2 3.8Å; M320-F374 HydrophobicContact CB-CE2 3.95Å; M320-F374 HydrophobicContact CB-CG 4.27Å; M320-F374 HydrophobicContact CG-CB 4.45Å; M320-F374 HydrophobicContact CG-CD1 3.83Å; M320-F374 HydrophobicContact CG-CD2 3.61Å; M320-F374 HydrophobicContact CG-CE1 3.9Å; M320-F374 HydrophobicContact CG-CE2 3.68Å; M320-F374 HydrophobicContact CG-CG 3.69Å; M320-F374 HydrophobicContact CG-CZ 3.83Å; M320-F374 HydrophobicContact SD-CE1 4.11Å; M320-F374 HydrophobicContact SD-CE2 4.27Å; M320-F374 HydrophobicContact SD-CZ 3.94Å |
| 321 | G | 92.4 | Very high | 89.8 | Confident | 35 Ų | 35 | 37.6 Ų | 37.6 | 36% | 0.361 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.3 | -52.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F317 G318 S319 S324 L325 | F317-G321 PolarHBondContact O-N 2.65Å; G318-G321 WeakPolarHBondContact O-CA 3.24Å; G318-G321 PolarHBondContact O-N 2.87Å; S319-G321 VanDerWaalsContact C-N 3.27Å; S319-G321 PolarHBondContact O-N 3.24Å; G321-S324 PolarHBondContact O-N 3.17Å; G321-L325 VanDerWaalsContact O-CB 3.25Å; G321-L325 WeakPolarHBondContact O-CB 3.31Å; G321-L325 PolarHBondContact O-N 3.39Å |
| 322 | V | 94.8 | Very high | 90.2 | Very high | 29 Ų | 29 | 34.3 Ų | 34.3 | 18% | 0.176 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58 | -51.6 | 177.5 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | G318 S319 S324 L325 V326 V360 L366 | G318-V322 WeakPolarHBondContact O-CG2 3.29Å; G318-V322 PolarHBondContact O-N 2.81Å; S319-V322 PolarHBondContact O-N 3.47Å; V322-S324 PolarHBondContact O-N 3.35Å; V322-L325 PolarHBondContact O-N 2.91Å; V322-V326 HydrophobicContact CG1-CG2 4.42Å; V322-V326 WeakPolarHBondContact O-CG2 3.17Å; V322-V326 PolarHBondContact O-N 3.24Å; V322-V360 HydrophobicContact CG1-CB 4.36Å; V322-V360 HydrophobicContact CG1-CG1 3.89Å; V322-L366 HydrophobicContact CG2-CD1 3.96Å |
| 323 | G | 93.9 | Very high | 90.8 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | S319 G327 S371 C375 | S319-G323 PolarHBondContact O-N 2.9Å; G323-G327 PolarHBondContact O-N 3.35Å; G323-S371 WeakPolarHBondContact CA-O 3.29Å; G323-S371 VanDerWaalsContact CA-OG 3.24Å; G323-S371 WeakPolarHBondContact CA-OG 3.35Å; G323-S371 PolarHBondContact N-OG 3.25Å; G323-C375 VanDerWaalsContact O-CA 3.31Å; G323-C375 WeakPolarHBondContact O-CA 3.34Å; G323-C375 WeakPolarHBondContact O-CB 3.43Å |
| 324 | S | 92.4 | Very high | 91 | Very high | 39 Ų | 39 | 35 Ų | 35 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.1 | -43 | 175.4 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | M320 G321 V322 G327 C328 C378 | M320-S324 WeakPolarHBondContact O-CB 3.47Å; M320-S324 PolarHBondContact O-N 3.49Å; M320-S324 PolarHBondContact O-OG 2.85Å; G321-S324 PolarHBondContact O-N 3.17Å; V322-S324 PolarHBondContact O-N 3.35Å; S324-G327 PolarHBondContact O-N 2.89Å; S324-C328 PolarHBondContact O-N 3.45Å; S324-C328 PolarHBondContact O-SG 3.07Å; S324-C378 PolarHBondContact O-SG 3.44Å |
| 325 | L | 94.6 | Very high | 90.9 | Very high | 114 Ų | 114 | 33.2 Ų | 33.2 | 60% | 0.597 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -64.3 | -48.1 | 179.6 | 179.1 | 61.6 | 0 | 0 | 0 | 111.8 | G321 V322 G327 C328 V329 | G321-L325 VanDerWaalsContact O-CB 3.25Å; G321-L325 WeakPolarHBondContact O-CB 3.31Å; G321-L325 PolarHBondContact O-N 3.39Å; V322-L325 PolarHBondContact O-N 2.91Å; L325-G327 VanDerWaalsContact C-N 3.28Å; L325-G327 PolarHBondContact O-N 3.36Å; L325-C328 WeakPolarHBondContact O-CB 3.12Å; L325-C328 PolarHBondContact O-N 3.05Å; L325-C328 VanDerWaalsContact O-N 3.12Å; L325-V329 HydrophobicContact CD1-CG2 4.25Å; L325-V329 WeakPolarHBondContact O-CG2 3.38Å; L325-V329 PolarHBondContact O-N 3.05Å |
| 326 | V | 94.4 | Very high | 90.8 | Very high | 16 Ų | 16 | 35.7 Ų | 35.7 | 10% | 0.097 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.8 | -38.2 | 176.9 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | V322 V329 A330 M353 | V322-V326 HydrophobicContact CG1-CG2 4.42Å; V322-V326 WeakPolarHBondContact O-CG2 3.17Å; V322-V326 PolarHBondContact O-N 3.24Å; V326-V329 PolarHBondContact O-N 2.95Å; V326-A330 WeakPolarHBondContact O-CB 3.48Å; V326-A330 PolarHBondContact O-N 2.86Å; V326-M353 HydrophobicContact CG1-CE 4.04Å; V326-M353 VanDerWaalsContact CG1-O 3.32Å; V326-M353 WeakPolarHBondContact CG1-O 3.46Å |
| 327 | G | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | G323 S324 L325 A330 S331 C378 T383 | G323-G327 PolarHBondContact O-N 3.35Å; S324-G327 PolarHBondContact O-N 2.89Å; L325-G327 VanDerWaalsContact C-N 3.28Å; L325-G327 PolarHBondContact O-N 3.36Å; G327-A330 PolarHBondContact O-N 3.1Å; G327-S331 PolarHBondContact O-N 2.87Å; G327-C378 VanDerWaalsContact C-SG 3.55Å; G327-T383 PolarHBondContact O-OG1 3.12Å |
| 328 | C | 91.9 | Very high | 90.2 | Very high | 23 Ų | 23 | 40.4 Ų | 40.4 | 16% | 0.155 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 175.3 | -72.5 | 0 | 0 | 0 | 0 | 112.1 | S324 L325 S331 L332 C378 L610 | S324-C328 PolarHBondContact O-N 3.45Å; S324-C328 PolarHBondContact O-SG 3.07Å; L325-C328 WeakPolarHBondContact O-CB 3.12Å; L325-C328 PolarHBondContact O-N 3.05Å; L325-C328 VanDerWaalsContact O-N 3.12Å; C328-S331 WeakPolarHBondContact O-CB 3.28Å; C328-S331 PolarHBondContact O-N 2.95Å; C328-S331 VanDerWaalsContact O-N 3.14Å; C328-L332 WeakPolarHBondContact O-CG 3.42Å; C328-L332 PolarHBondContact O-N 3.37Å; C328-C378 PolarHBondContact N-SG 2.69Å; C328-C378 VanDerWaalsContact SG-SG 3.7Å; C328-L610 HydrophobicContact CB-CD1 4.19Å; C328-L610 HydrophobicContact CB-CD2 4.01Å; C328-L610 VanDerWaalsContact SG-CD1 3.56Å |
| 329 | V | 93 | Very high | 89.9 | Confident | 66 Ų | 66 | 40.5 Ų | 40.5 | 40% | 0.4 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.3 | -43.7 | 176.4 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | L325 V326 S331 L332 F333 M353 | L325-V329 HydrophobicContact CD1-CG2 4.25Å; L325-V329 WeakPolarHBondContact O-CG2 3.38Å; L325-V329 PolarHBondContact O-N 3.05Å; V326-V329 PolarHBondContact O-N 2.95Å; V329-S331 VanDerWaalsContact C-N 3.31Å; V329-S331 PolarHBondContact O-N 2.91Å; V329-L332 PolarHBondContact O-N 3.45Å; V329-F333 WeakPolarHBondContact O-CB 3.29Å; V329-F333 PolarHBondContact O-N 3.07Å; V329-M353 HydrophobicContact CB-CE 4.47Å; V329-M353 HydrophobicContact CG1-CE 4.04Å |
| 330 | A | 91.9 | Very high | 89.4 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.008 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V326 G327 F333 M334 M353 T383 | V326-A330 WeakPolarHBondContact O-CB 3.48Å; V326-A330 PolarHBondContact O-N 2.86Å; G327-A330 PolarHBondContact O-N 3.1Å; A330-F333 PolarHBondContact O-N 3.35Å; A330-M334 VanDerWaalsContact O-CG 3.3Å; A330-M334 WeakPolarHBondContact O-CG 3.3Å; A330-M334 PolarHBondContact O-N 3.04Å; A330-M353 HydrophobicContact CB-CB 3.94Å; A330-M353 HydrophobicContact CB-CE 4.02Å; A330-M353 HydrophobicContact CB-CG 4.18Å; A330-T383 HydrophobicContact CB-CG2 4.42Å |
| 331 | S | 90.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 176.7 | -163.8 | 0 | 0 | 0 | 0 | 112.7 | G327 C328 V329 K335 Y382 T383 N386 L610 | G327-S331 PolarHBondContact O-N 2.87Å; C328-S331 WeakPolarHBondContact O-CB 3.28Å; C328-S331 PolarHBondContact O-N 2.95Å; C328-S331 VanDerWaalsContact O-N 3.14Å; V329-S331 VanDerWaalsContact C-N 3.31Å; V329-S331 PolarHBondContact O-N 2.91Å; S331-K335 WeakPolarHBondContact O-CB 3.26Å; S331-K335 PolarHBondContact O-N 2.95Å; S331-Y382 VanDerWaalsContact OG-C 3.26Å; S331-Y382 WeakPolarHBondContact OG-CB 3.41Å; S331-T383 WeakPolarHBondContact CA-OG1 3.41Å; S331-T383 WeakPolarHBondContact CB-OG1 3.38Å; S331-T383 PolarHBondContact N-OG1 3.24Å; S331-T383 PolarHBondContact OG-N 3.01Å; S331-N386 PolarHBondContact O-ND2 3.29Å; S331-N386 PolarHBondContact OG-ND2 3.01Å; S331-L610 PolarHBondContact OG-O 2.89Å |
| 332 | L | 89.4 | Confident | 88.9 | Confident | 38 Ų | 38 | 51.5 Ų | 51.5 | 20% | 0.199 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 175.7 | -70.6 | 165.9 | 0 | 0 | 0 | 111.3 | C328 V329 M334 K335 F336 F609 L610 | C328-L332 WeakPolarHBondContact O-CG 3.42Å; C328-L332 PolarHBondContact O-N 3.37Å; V329-L332 PolarHBondContact O-N 3.45Å; L332-M334 PolarHBondContact O-N 2.81Å; L332-K335 WeakPolarHBondContact O-CA 3.45Å; L332-K335 WeakPolarHBondContact O-CB 3.16Å; L332-K335 PolarHBondContact O-N 2.68Å; L332-F336 HydrophobicContact CD2-CD2 4.41Å; L332-F336 HydrophobicContact CD2-CE2 3.77Å; L332-F336 VanDerWaalsContact O-CD2 3.25Å; L332-F336 WeakPolarHBondContact O-CD2 3.15Å; L332-F336 PolarHBondContact O-N 3.27Å; L332-F609 HydrophobicContact CD1-CE1 4.05Å; L332-F609 HydrophobicContact CD1-CZ 4.33Å; L332-F609 HydrophobicContact CD2-CD1 4.09Å; L332-F609 HydrophobicContact CD2-CE1 3.75Å; L332-F609 HydrophobicContact CD2-CZ 3.98Å; L332-F609 HydrophobicContact CG-CE1 4.41Å; L332-L610 HydrophobicContact CD1-CD2 4.08Å; L332-L610 HydrophobicContact CD2-CD2 3.88Å; L332-L610 HydrophobicContact CG-CD2 3.66Å |
| 333 | F | 89.1 | Confident | 88.6 | Confident | 102 Ų | 102 | 51.4 Ų | 51.4 | 45% | 0.447 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 179.8 | -156.2 | -84.9 | 0 | 0 | 0 | 111.5 | V329 A330 K335 T337 I339 L349 | V329-F333 WeakPolarHBondContact O-CB 3.29Å; V329-F333 PolarHBondContact O-N 3.07Å; A330-F333 PolarHBondContact O-N 3.35Å; F333-K335 PolarHBondContact O-N 2.93Å; F333-T337 HydrophobicContact CD1-CG2 3.84Å; F333-T337 HydrophobicContact CE1-CG2 3.72Å; F333-T337 HydrophobicContact CG-CG2 4.33Å; F333-T337 HydrophobicContact CZ-CG2 4.08Å; F333-T337 WeakPolarHBondContact O-CB 3.06Å; F333-T337 WeakPolarHBondContact O-CG2 3.15Å; F333-T337 PolarHBondContact O-N 3.46Å; F333-T337 VanDerWaalsContact O-N 3.08Å; F333-T337 PolarHBondContact O-OG1 2.7Å; F333-I339 HydrophobicContact CD1-CD1 4.27Å; F333-I339 HydrophobicContact CE1-CD1 3.66Å; F333-L349 HydrophobicContact CD1-CD2 3.41Å; F333-L349 VanDerWaalsContact CD1-CD2 3.41Å; F333-L349 HydrophobicContact CE1-CD2 3.4Å; F333-L349 VanDerWaalsContact CE1-CD2 3.4Å; F333-L349 HydrophobicContact CG-CD2 4.45Å; F333-L349 HydrophobicContact CZ-CD2 4.45Å |
| 334 | M | 89.3 | Confident | 88.4 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.6 | -16.1 | 173 | -59.8 | -57 | -176.5 | 0 | 0 | 113.7 | A330 L332 E346 L349 F350 T383 N386 L387 | A330-M334 VanDerWaalsContact O-CG 3.3Å; A330-M334 WeakPolarHBondContact O-CG 3.3Å; A330-M334 PolarHBondContact O-N 3.04Å; L332-M334 PolarHBondContact O-N 2.81Å; M334-E346 HydrophobicContact CE-CG 4.45Å; M334-E346 VanDerWaalsContact CE-O 3.24Å; M334-E346 WeakPolarHBondContact CE-O 3.38Å; M334-E346 HydrophobicContact SD-CG 3.93Å; M334-L349 HydrophobicContact CE-CB 3.92Å; M334-L349 HydrophobicContact CE-CD2 3.95Å; M334-L349 HydrophobicContact CE-CG 3.88Å; M334-L349 HydrophobicContact SD-CD2 4.46Å; M334-F350 HydrophobicContact CE-CB 4.07Å; M334-T383 HydrophobicContact CB-CG2 4.24Å; M334-T383 HydrophobicContact CG-CG2 3.72Å; M334-N386 HydrophobicContact CB-CB 4.21Å; M334-L387 HydrophobicContact CG-CD2 4.48Å |
| 335 | K | 86.1 | Confident | 88.3 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 4% | 0.039 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -82.1 | -46.8 | 175.7 | -164.2 | -170 | 175.2 | -175.3 | 0 | 111.9 | S331 L332 F333 P608 F609 T611 N612 F632 T634 | S331-K335 WeakPolarHBondContact O-CB 3.26Å; S331-K335 PolarHBondContact O-N 2.95Å; L332-K335 WeakPolarHBondContact O-CA 3.45Å; L332-K335 WeakPolarHBondContact O-CB 3.16Å; L332-K335 PolarHBondContact O-N 2.68Å; F333-K335 PolarHBondContact O-N 2.93Å; K335-P608 PolarHBondContact NZ-O 3.26Å; K335-F609 WeakPolarHBondContact CD-O 3.23Å; K335-F609 PolarHBondContact NZ-O 2.94Å; K335-T611 WeakPolarHBondContact CE-O 3.17Å; K335-T611 PolarHBondContact NZ-O 3.3Å; K335-N612 WeakPolarHBondContact CE-OD1 3.42Å; K335-N612 WeakPolarHBondContact CG-OD1 3.38Å; K335-F632 PolarHBondContact NZ-O 2.63Å; K335-T634 HydrophobicContact CD-CG2 4.39Å; K335-T634 HydrophobicContact CG-CG2 4.06Å |
| 336 | F | 83.2 | Confident | 88.2 | Confident | 86 Ų | 86 | 54 Ų | 54 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -93.5 | -25.1 | -170.2 | -68.9 | -69.6 | 0 | 0 | 0 | 114.3 | L332 F632 T634 | L332-F336 HydrophobicContact CD2-CD2 4.41Å; L332-F336 HydrophobicContact CD2-CE2 3.77Å; L332-F336 VanDerWaalsContact O-CD2 3.25Å; L332-F336 WeakPolarHBondContact O-CD2 3.15Å; L332-F336 PolarHBondContact O-N 3.27Å; F336-F632 AromaticContact CE2-CD1 3.85Å; F336-F632 HydrophobicContact CE2-CD1 3.85Å; F336-F632 HydrophobicContact CE2-CE1 4.47Å; F336-F632 HydrophobicContact CZ-CB 4.11Å; F336-F632 AromaticContact CZ-CD1 3.63Å; F336-F632 HydrophobicContact CZ-CD1 3.63Å; F336-F632 HydrophobicContact CZ-CG 4.32Å; F336-F632 WeakPolarHBondContact CZ-O 3.35Å; F336-T634 HydrophobicContact CD1-CG2 3.94Å; F336-T634 HydrophobicContact CE1-CG2 3.81Å |
| 337 | T | 83.2 | Confident | 88.1 | Confident | 41 Ų | 41 | 53.7 Ų | 53.7 | 25% | 0.252 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -84.6 | 147.1 | 173.3 | 67.4 | 0 | 0 | 0 | 0 | 111.1 | F333 I339 | F333-T337 HydrophobicContact CD1-CG2 3.84Å; F333-T337 HydrophobicContact CE1-CG2 3.72Å; F333-T337 HydrophobicContact CG-CG2 4.33Å; F333-T337 HydrophobicContact CZ-CG2 4.08Å; F333-T337 WeakPolarHBondContact O-CB 3.06Å; F333-T337 WeakPolarHBondContact O-CG2 3.15Å; F333-T337 PolarHBondContact O-N 3.46Å; F333-T337 VanDerWaalsContact O-N 3.08Å; F333-T337 PolarHBondContact O-OG1 2.7Å; T337-I339 HydrophobicContact CG2-CD1 4.29Å; T337-I339 PolarHBondContact O-N 3.37Å; T337-I339 VanDerWaalsContact O-N 3.14Å; T337-I339 WeakPolarHBondContact OG1-CD1 3.38Å; T337-I339 WeakPolarHBondContact OG1-CG1 3.27Å |
| 338 | K | 78.8 | Confident | 88 | Confident | 162 Ų | 162 | 55.3 Ų | 55.3 | 70% | 0.704 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -79.6 | 22.1 | 173.3 | -65.6 | -177 | 179 | 176.9 | 0 | 113 | S340 Q341 | K338-S340 PolarHBondContact O-N 2.95Å; K338-S340 VanDerWaalsContact O-N 3.13Å; K338-Q341 WeakPolarHBondContact O-CB 3.06Å; K338-Q341 WeakPolarHBondContact O-CG 3.21Å; K338-Q341 PolarHBondContact O-N 2.84Å |
| 339 | I | 85.1 | Confident | 88 | Confident | 27 Ų | 27 | 56 Ų | 56 | 14% | 0.138 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -63.6 | -20.4 | -174.4 | -73.2 | 174.9 | 0 | 0 | 0 | 112.5 | F333 T337 Q341 F342 L345 E346 L349 | F333-I339 HydrophobicContact CD1-CD1 4.27Å; F333-I339 HydrophobicContact CE1-CD1 3.66Å; T337-I339 HydrophobicContact CG2-CD1 4.29Å; T337-I339 PolarHBondContact O-N 3.37Å; T337-I339 VanDerWaalsContact O-N 3.14Å; T337-I339 WeakPolarHBondContact OG1-CD1 3.38Å; T337-I339 WeakPolarHBondContact OG1-CG1 3.27Å; I339-Q341 PolarHBondContact O-N 2.77Å; I339-Q341 VanDerWaalsContact O-N 3.1Å; I339-F342 CarbonylContact O-C 3.57Å; I339-F342 WeakPolarHBondContact O-CA 3.45Å; I339-F342 PolarHBondContact O-N 2.81Å; I339-L345 HydrophobicContact CD1-CD2 4.32Å; I339-L345 HydrophobicContact CG1-CD2 4.17Å; I339-L345 HydrophobicContact CG2-CB 4.28Å; I339-L345 HydrophobicContact CG2-CD2 4.18Å; I339-L345 HydrophobicContact CG2-CG 3.97Å; I339-E346 HydrophobicContact CG2-CB 3.79Å; I339-E346 HydrophobicContact CG2-CG 4.28Å; I339-L349 HydrophobicContact CD1-CD2 4.21Å |
| 340 | S | 80.4 | Confident | 88 | Confident | 55 Ų | 55 | 52.9 Ų | 52.9 | 39% | 0.385 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -60.9 | -12.4 | 170 | 55.6 | 0 | 0 | 0 | 0 | 115 | K338 E346 | K338-S340 PolarHBondContact O-N 2.95Å; K338-S340 VanDerWaalsContact O-N 3.13Å; S340-E346 WeakPolarHBondContact CA-OE1 3.29Å; S340-E346 WeakPolarHBondContact CB-OE1 3.39Å |
| 341 | Q | 83.4 | Confident | 88 | Confident | 135 Ų | 135 | 53.5 Ų | 53.5 | 63% | 0.631 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -72.6 | -16 | 166.8 | -63.9 | -175.2 | -49.7 | 0 | 0 | 113.1 | K338 I339 | K338-Q341 WeakPolarHBondContact O-CB 3.06Å; K338-Q341 WeakPolarHBondContact O-CG 3.21Å; K338-Q341 PolarHBondContact O-N 2.84Å; I339-Q341 PolarHBondContact O-N 2.77Å; I339-Q341 VanDerWaalsContact O-N 3.1Å |
| 342 | F | 90.1 | Very high | 88.1 | Confident | 133 Ų | 133 | 59 Ų | 59 | 58% | 0.583 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -128.9 | 78.5 | -178.9 | -59.2 | -77.8 | 0 | 0 | 0 | 110.6 | I339 L344 L345 E346 | I339-F342 CarbonylContact O-C 3.57Å; I339-F342 WeakPolarHBondContact O-CA 3.45Å; I339-F342 PolarHBondContact O-N 2.81Å; F342-L344 PolarHBondContact O-N 2.85Å; F342-L345 HydrophobicContact CB-CB 4.21Å; F342-L345 PolarHBondContact O-N 2.89Å; F342-E346 PolarHBondContact O-N 3.11Å |
| 343 | P | 88.2 | Confident | 88.2 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 17% | 0.169 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.2 | -25.4 | -172.9 | -30.2 | 37.7 | 0 | 0 | 0 | 115.7 | S347 E390 S391 | P343-S347 VanDerWaalsContact O-CB 3.25Å; P343-S347 WeakPolarHBondContact O-CB 3.38Å; P343-S347 PolarHBondContact O-N 2.76Å; P343-S347 PolarHBondContact O-OG 3.4Å; P343-E390 HydrophobicContact CB-CB 4.2Å; P343-E390 HydrophobicContact CB-CG 4.34Å; P343-E390 WeakPolarHBondContact CB-OE2 3.44Å; P343-E390 HydrophobicContact CG-CB 4.39Å; P343-E390 WeakPolarHBondContact CG-OE2 3.3Å; P343-S391 WeakPolarHBondContact CA-OG 3.31Å; P343-S391 PolarHBondContact O-OG 3.3Å; P343-S391 VanDerWaalsContact O-OG 3.06Å |
| 344 | L | 89.4 | Confident | 88.4 | Confident | 117 Ų | 117 | 53.9 Ų | 53.9 | 61% | 0.613 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -64.5 | -50.3 | 171.7 | -178.3 | 61.1 | 0 | 0 | 0 | 112.1 | F342 S347 S348 | F342-L344 PolarHBondContact O-N 2.85Å; L344-S347 PolarHBondContact O-N 2.83Å; L344-S348 WeakPolarHBondContact O-CB 3.23Å; L344-S348 PolarHBondContact O-N 2.77Å; L344-S348 PolarHBondContact O-OG 2.98Å; L344-S348 VanDerWaalsContact O-OG 3.06Å |
| 345 | L | 91 | Very high | 88.6 | Confident | 91 Ų | 91 | 55.3 Ų | 55.3 | 48% | 0.476 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.9 | -40.1 | 178.4 | 179.4 | 63.1 | 0 | 0 | 0 | 111 | I339 F342 S348 L349 | I339-L345 HydrophobicContact CD1-CD2 4.32Å; I339-L345 HydrophobicContact CG1-CD2 4.17Å; I339-L345 HydrophobicContact CG2-CB 4.28Å; I339-L345 HydrophobicContact CG2-CD2 4.18Å; I339-L345 HydrophobicContact CG2-CG 3.97Å; F342-L345 HydrophobicContact CB-CB 4.21Å; F342-L345 PolarHBondContact O-N 2.89Å; L345-S348 PolarHBondContact O-N 3.1Å; L345-L349 WeakPolarHBondContact O-CB 3.37Å; L345-L349 PolarHBondContact O-N 2.86Å |
| 346 | E | 92.1 | Very high | 89 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.3 | -49.2 | 175.4 | -165.4 | -173.5 | -144.9 | 0 | 0 | 111.9 | M334 I339 S340 F342 F350 L387 S388 S391 | M334-E346 HydrophobicContact CE-CG 4.45Å; M334-E346 VanDerWaalsContact CE-O 3.24Å; M334-E346 WeakPolarHBondContact CE-O 3.38Å; M334-E346 HydrophobicContact SD-CG 3.93Å; I339-E346 HydrophobicContact CG2-CB 3.79Å; I339-E346 HydrophobicContact CG2-CG 4.28Å; S340-E346 WeakPolarHBondContact CA-OE1 3.29Å; S340-E346 WeakPolarHBondContact CB-OE1 3.39Å; F342-E346 PolarHBondContact O-N 3.11Å; E346-F350 WeakPolarHBondContact O-CB 3.49Å; E346-F350 PolarHBondContact O-N 3.32Å; E346-L387 HydrophobicContact CG-CD2 3.63Å; E346-L387 VanDerWaalsContact OE1-CA 3.3Å; E346-L387 WeakPolarHBondContact OE1-CA 3.26Å; E346-S388 PolarHBondContact OE1-N 2.82Å; E346-S388 VanDerWaalsContact OE2-CB 3.22Å; E346-S388 WeakPolarHBondContact OE2-CB 3.41Å; E346-S388 PolarHBondContact OE2-N 2.76Å; E346-S388 VanDerWaalsContact OE2-N 3.17Å; E346-S388 PolarHBondContact OE2-OG 3.29Å; E346-S391 WeakPolarHBondContact OE2-CB 3.27Å; E346-S391 PolarHBondContact OE2-OG 2.98Å |
| 347 | S | 91.2 | Very high | 89.5 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 176.2 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | P343 L344 F350 I351 S391 | P343-S347 VanDerWaalsContact O-CB 3.25Å; P343-S347 WeakPolarHBondContact O-CB 3.38Å; P343-S347 PolarHBondContact O-N 2.76Å; P343-S347 PolarHBondContact O-OG 3.4Å; L344-S347 PolarHBondContact O-N 2.83Å; S347-F350 WeakPolarHBondContact O-CB 3.5Å; S347-F350 PolarHBondContact O-N 2.93Å; S347-I351 VanDerWaalsContact O-CD1 3.29Å; S347-I351 WeakPolarHBondContact O-CD1 3.43Å; S347-I351 WeakPolarHBondContact O-CG1 3.31Å; S347-I351 PolarHBondContact O-N 3.25Å; S347-I351 VanDerWaalsContact O-N 3.13Å; S347-S391 WeakPolarHBondContact OG-CB 3.5Å; S347-S391 PolarHBondContact OG-OG 3.43Å; S347-S391 VanDerWaalsContact OG-OG 3.13Å |
| 348 | S | 91.2 | Very high | 90 | Very high | 33 Ų | 33 | 52.4 Ų | 52.4 | 23% | 0.231 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 179.3 | -69.1 | 0 | 0 | 0 | 0 | 112.4 | L344 L345 I351 L352 | L344-S348 WeakPolarHBondContact O-CB 3.23Å; L344-S348 PolarHBondContact O-N 2.77Å; L344-S348 PolarHBondContact O-OG 2.98Å; L344-S348 VanDerWaalsContact O-OG 3.06Å; L345-S348 PolarHBondContact O-N 3.1Å; S348-I351 PolarHBondContact O-N 2.96Å; S348-L352 WeakPolarHBondContact O-CG 2.97Å; S348-L352 PolarHBondContact O-N 2.94Å |
| 349 | L | 91.7 | Very high | 90.6 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 20% | 0.204 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.5 | -35.9 | 177.4 | 178.3 | 63.9 | 0 | 0 | 0 | 111.9 | F333 M334 I339 L345 I351 L352 M353 | F333-L349 HydrophobicContact CD1-CD2 3.41Å; F333-L349 VanDerWaalsContact CD1-CD2 3.41Å; F333-L349 HydrophobicContact CE1-CD2 3.4Å; F333-L349 VanDerWaalsContact CE1-CD2 3.4Å; F333-L349 HydrophobicContact CG-CD2 4.45Å; F333-L349 HydrophobicContact CZ-CD2 4.45Å; M334-L349 HydrophobicContact CE-CB 3.92Å; M334-L349 HydrophobicContact CE-CD2 3.95Å; M334-L349 HydrophobicContact CE-CG 3.88Å; M334-L349 HydrophobicContact SD-CD2 4.46Å; I339-L349 HydrophobicContact CD1-CD2 4.21Å; L345-L349 WeakPolarHBondContact O-CB 3.37Å; L345-L349 PolarHBondContact O-N 2.86Å; L349-I351 PolarHBondContact O-N 3.3Å; L349-L352 PolarHBondContact O-N 3.17Å; L349-M353 HydrophobicContact CD1-CG 3.97Å; L349-M353 HydrophobicContact CG-CG 4.3Å; L349-M353 WeakPolarHBondContact O-CB 3.42Å; L349-M353 VanDerWaalsContact O-CG 3.27Å; L349-M353 WeakPolarHBondContact O-CG 3.42Å; L349-M353 PolarHBondContact O-N 3.05Å |
| 350 | F | 92.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.6 | -53.7 | 172.8 | -177.8 | -82.4 | 0 | 0 | 0 | 110.7 | F183 Y187 M334 E346 S347 L352 M353 S354 Q379 T383 L387 T395 F399 | F183-F350 HydrophobicContact CE1-CE1 4.05Å; F183-F350 AromaticContact CZ-CE1 3.77Å; F183-F350 HydrophobicContact CZ-CE1 3.77Å; F183-F350 AromaticContact CZ-CZ 3.99Å; F183-F350 HydrophobicContact CZ-CZ 3.99Å; Y187-F350 HydrophobicContact CD2-CZ 4.12Å; Y187-F350 HydrophobicContact CE2-CE1 4.08Å; Y187-F350 HydrophobicContact CE2-CE2 4.29Å; Y187-F350 AromaticContact CE2-CZ 3.41Å; Y187-F350 HydrophobicContact CE2-CZ 3.41Å; Y187-F350 VanDerWaalsContact CE2-CZ 3.41Å; Y187-F350 AromaticContact CZ-CZ 3.96Å; M334-F350 HydrophobicContact CE-CB 4.07Å; E346-F350 WeakPolarHBondContact O-CB 3.49Å; E346-F350 PolarHBondContact O-N 3.32Å; S347-F350 WeakPolarHBondContact O-CB 3.5Å; S347-F350 PolarHBondContact O-N 2.93Å; F350-L352 PolarHBondContact O-N 2.91Å; F350-M353 PolarHBondContact O-N 3.29Å; F350-S354 PolarHBondContact O-N 3.47Å; F350-S354 PolarHBondContact O-OG 2.98Å; F350-Q379 HydrophobicContact CE2-CB 3.88Å; F350-Q379 HydrophobicContact CE2-CG 4.37Å; F350-Q379 HydrophobicContact CZ-CB 3.8Å; F350-Q379 HydrophobicContact CZ-CG 4.44Å; F350-Q379 VanDerWaalsContact CZ-OE1 3.29Å; F350-T383 HydrophobicContact CD2-CG2 3.77Å; F350-T383 HydrophobicContact CE2-CG2 3.84Å; F350-L387 HydrophobicContact CD2-CD1 3.95Å; F350-L387 HydrophobicContact CD2-CD2 4.18Å; F350-L387 HydrophobicContact CD2-CG 4.47Å; F350-L387 HydrophobicContact CE2-CD1 4.11Å; F350-T395 HydrophobicContact CB-CG2 4.14Å; F350-T395 HydrophobicContact CD1-CG2 3.68Å; F350-T395 HydrophobicContact CE1-CG2 4.29Å; F350-T395 HydrophobicContact CG-CG2 3.88Å; F350-F399 HydrophobicContact CD1-CE2 4.13Å; F350-F399 AromaticContact CE1-CE2 3.88Å; F350-F399 HydrophobicContact CE1-CE2 3.88Å |
| 351 | I | 92 | Very high | 91.7 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.1 | -43 | -178.6 | -64.6 | 154.7 | 0 | 0 | 0 | 111.7 | M1 S347 S348 L349 S354 Y355 F398 F399 | M1-I351 HydrophobicContact CE-CD1 4.33Å; S347-I351 VanDerWaalsContact O-CD1 3.29Å; S347-I351 WeakPolarHBondContact O-CD1 3.43Å; S347-I351 WeakPolarHBondContact O-CG1 3.31Å; S347-I351 PolarHBondContact O-N 3.25Å; S347-I351 VanDerWaalsContact O-N 3.13Å; S348-I351 PolarHBondContact O-N 2.96Å; L349-I351 PolarHBondContact O-N 3.3Å; I351-S354 WeakPolarHBondContact O-CB 3.37Å; I351-S354 PolarHBondContact O-N 3.5Å; I351-Y355 PolarHBondContact O-N 2.92Å; I351-Y355 VanDerWaalsContact O-N 3.16Å; I351-F398 HydrophobicContact CB-CE1 4.38Å; I351-F398 HydrophobicContact CD1-CD1 3.74Å; I351-F398 HydrophobicContact CD1-CD2 3.98Å; I351-F398 HydrophobicContact CD1-CE1 3.53Å; I351-F398 HydrophobicContact CD1-CE2 3.75Å; I351-F398 HydrophobicContact CD1-CG 3.95Å; I351-F398 HydrophobicContact CD1-CZ 3.49Å; I351-F398 VanDerWaalsContact CD1-CZ 3.49Å; I351-F398 HydrophobicContact CG1-CD1 3.99Å; I351-F398 HydrophobicContact CG1-CE1 3.74Å; I351-F398 HydrophobicContact CG1-CZ 4.15Å; I351-F398 HydrophobicContact CG2-CE1 3.67Å; I351-F398 HydrophobicContact CG2-CZ 3.9Å; I351-F399 HydrophobicContact CB-CZ 4.44Å; I351-F399 HydrophobicContact CG1-CE2 3.95Å; I351-F399 HydrophobicContact CG1-CZ 4.09Å; I351-F399 HydrophobicContact CG2-CZ 4.28Å |
| 352 | L | 92.4 | Very high | 92 | Very high | 116 Ų | 116 | 44.9 Ų | 44.9 | 61% | 0.607 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.1 | -42.8 | 177.5 | -72.6 | 169.2 | 0 | 0 | 0 | 111.6 | S348 L349 F350 S354 Y355 L356 | S348-L352 WeakPolarHBondContact O-CG 2.97Å; S348-L352 PolarHBondContact O-N 2.94Å; L349-L352 PolarHBondContact O-N 3.17Å; F350-L352 PolarHBondContact O-N 2.91Å; L352-S354 VanDerWaalsContact C-N 3.32Å; L352-S354 PolarHBondContact O-N 3.21Å; L352-Y355 PolarHBondContact O-N 3.18Å; L352-L356 WeakPolarHBondContact O-CB 3.33Å; L352-L356 PolarHBondContact O-N 3.02Å |
| 353 | M | 92 | Very high | 92.1 | Very high | 29 Ų | 29 | 42.7 Ų | 42.7 | 14% | 0.143 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.9 | -31.5 | 175.8 | -70.2 | -64.5 | -69.2 | 0 | 0 | 112.7 | V326 V329 A330 L349 F350 L356 | V326-M353 HydrophobicContact CG1-CE 4.04Å; V326-M353 VanDerWaalsContact CG1-O 3.32Å; V326-M353 WeakPolarHBondContact CG1-O 3.46Å; V329-M353 HydrophobicContact CB-CE 4.47Å; V329-M353 HydrophobicContact CG1-CE 4.04Å; A330-M353 HydrophobicContact CB-CB 3.94Å; A330-M353 HydrophobicContact CB-CE 4.02Å; A330-M353 HydrophobicContact CB-CG 4.18Å; L349-M353 HydrophobicContact CD1-CG 3.97Å; L349-M353 HydrophobicContact CG-CG 4.3Å; L349-M353 WeakPolarHBondContact O-CB 3.42Å; L349-M353 VanDerWaalsContact O-CG 3.27Å; L349-M353 WeakPolarHBondContact O-CG 3.42Å; L349-M353 PolarHBondContact O-N 3.05Å; F350-M353 PolarHBondContact O-N 3.29Å; M353-L356 HydrophobicContact CE-CD2 4.36Å; M353-L356 HydrophobicContact SD-CD2 3.8Å |
| 354 | S | 93.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -50.8 | 171.4 | -49.2 | 0 | 0 | 0 | 0 | 111 | F183 F350 I351 L352 S357 Q379 | F183-S354 VanDerWaalsContact CE2-CB 3.41Å; F183-S354 WeakPolarHBondContact CE2-OG 3.16Å; F183-S354 VanDerWaalsContact CZ-OG 3.27Å; F183-S354 WeakPolarHBondContact CZ-OG 3.31Å; F350-S354 PolarHBondContact O-N 3.47Å; F350-S354 PolarHBondContact O-OG 2.98Å; I351-S354 WeakPolarHBondContact O-CB 3.37Å; I351-S354 PolarHBondContact O-N 3.5Å; L352-S354 VanDerWaalsContact C-N 3.32Å; L352-S354 PolarHBondContact O-N 3.21Å; S354-S357 PolarHBondContact O-N 3.05Å; S354-S357 PolarHBondContact O-OG 3.37Å; S354-Q379 PolarHBondContact OG-OE1 3.49Å |
| 355 | Y | 93.1 | Very high | 92.1 | Very high | 36 Ų | 36 | 46.6 Ų | 46.6 | 14% | 0.141 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -73.3 | -30.6 | -179.1 | -172.9 | -124.5 | 0 | 0 | 0 | 113.3 | W2 N175 P179 I351 L352 S357 F358 L359 | W2-Y355 AromaticContact CH2-CD2 3.79Å; W2-Y355 HydrophobicContact CH2-CD2 3.79Å; W2-Y355 AromaticContact CH2-CE2 3.98Å; W2-Y355 HydrophobicContact CH2-CE2 3.98Å; W2-Y355 HydrophobicContact CH2-CG 4.18Å; W2-Y355 HydrophobicContact CZ2-CD2 4.27Å; W2-Y355 HydrophobicContact CZ2-CG 4.29Å; N175-Y355 WeakPolarHBondContact O-CE2 3.32Å; N175-Y355 PolarHBondContact O-OH 3.22Å; P179-Y355 HydrophobicContact CB-CD2 4.44Å; P179-Y355 HydrophobicContact CB-CE2 4.5Å; P179-Y355 HydrophobicContact CG-CE2 4.46Å; I351-Y355 PolarHBondContact O-N 2.92Å; I351-Y355 VanDerWaalsContact O-N 3.16Å; L352-Y355 PolarHBondContact O-N 3.18Å; Y355-S357 PolarHBondContact O-N 3.23Å; Y355-S357 VanDerWaalsContact O-N 3.16Å; Y355-F358 HydrophobicContact CD2-CB 4.15Å; Y355-F358 HydrophobicContact CE2-CB 4.29Å; Y355-F358 AromaticContact CE2-CD1 3.99Å; Y355-F358 HydrophobicContact CE2-CD1 3.99Å; Y355-F358 HydrophobicContact CE2-CG 4.34Å; Y355-F358 WeakPolarHBondContact O-CB 3.43Å; Y355-F358 PolarHBondContact O-N 2.8Å; Y355-L359 HydrophobicContact CD1-CD1 3.93Å; Y355-L359 HydrophobicContact CD1-CG 4.32Å; Y355-L359 HydrophobicContact CE1-CD1 3.71Å; Y355-L359 HydrophobicContact CE1-CD2 4.1Å; Y355-L359 HydrophobicContact CE1-CG 3.99Å; Y355-L359 PolarHBondContact O-N 3.37Å |
| 356 | L | 93.7 | Very high | 92 | Very high | 70 Ų | 70 | 43.9 Ų | 43.9 | 37% | 0.366 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -55.9 | -33.3 | 174 | -176.3 | 64.3 | 0 | 0 | 0 | 112.3 | L352 M353 F358 L359 V360 | L352-L356 WeakPolarHBondContact O-CB 3.33Å; L352-L356 PolarHBondContact O-N 3.02Å; M353-L356 HydrophobicContact CE-CD2 4.36Å; M353-L356 HydrophobicContact SD-CD2 3.8Å; L356-F358 PolarHBondContact O-N 3.4Å; L356-L359 PolarHBondContact O-N 2.97Å; L356-V360 HydrophobicContact CD1-CG2 3.75Å; L356-V360 HydrophobicContact CG-CG2 3.93Å; L356-V360 WeakPolarHBondContact O-CB 3.42Å; L356-V360 VanDerWaalsContact O-CG2 3.31Å; L356-V360 WeakPolarHBondContact O-CG2 3.35Å; L356-V360 PolarHBondContact O-N 3.01Å |
| 357 | S | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.4 | -28.3 | 175.9 | 74.6 | 0 | 0 | 0 | 0 | 113.7 | S354 Y355 S361 S371 C375 | S354-S357 PolarHBondContact O-N 3.05Å; S354-S357 PolarHBondContact O-OG 3.37Å; Y355-S357 PolarHBondContact O-N 3.23Å; Y355-S357 VanDerWaalsContact O-N 3.16Å; S357-S361 WeakPolarHBondContact O-CB 3.46Å; S357-S371 VanDerWaalsContact O-CB 3.29Å; S357-S371 WeakPolarHBondContact O-CB 3.28Å; S357-S371 PolarHBondContact O-OG 2.88Å; S357-C375 VanDerWaalsContact OG-CB 3.29Å; S357-C375 WeakPolarHBondContact OG-CB 2.75Å |
| 358 | F | 93 | Very high | 91.6 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 2% | 0.018 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69 | -58.2 | 171.8 | -172.9 | -100.5 | 0 | 0 | 0 | 110.2 | F174 N175 P179 Y355 L356 V360 S361 E362 G368 V372 | F174-F358 WeakPolarHBondContact O-CZ 3.32Å; N175-F358 HydrophobicContact CB-CE1 4.24Å; N175-F358 WeakPolarHBondContact OD1-CE1 3.34Å; P179-F358 HydrophobicContact CB-CD2 4.12Å; P179-F358 HydrophobicContact CB-CG 4.4Å; P179-F358 HydrophobicContact CG-CD1 4.42Å; P179-F358 HydrophobicContact CG-CD2 3.72Å; P179-F358 HydrophobicContact CG-CE1 4.43Å; P179-F358 HydrophobicContact CG-CE2 3.74Å; P179-F358 HydrophobicContact CG-CG 4.09Å; P179-F358 HydrophobicContact CG-CZ 4.11Å; Y355-F358 HydrophobicContact CD2-CB 4.15Å; Y355-F358 HydrophobicContact CE2-CB 4.29Å; Y355-F358 AromaticContact CE2-CD1 3.99Å; Y355-F358 HydrophobicContact CE2-CD1 3.99Å; Y355-F358 HydrophobicContact CE2-CG 4.34Å; Y355-F358 WeakPolarHBondContact O-CB 3.43Å; Y355-F358 PolarHBondContact O-N 2.8Å; L356-F358 PolarHBondContact O-N 3.4Å; F358-V360 PolarHBondContact O-N 2.74Å; F358-S361 WeakPolarHBondContact O-CB 3.38Å; F358-S361 PolarHBondContact O-N 3.33Å; F358-E362 HydrophobicContact CD1-CG 4.36Å; F358-E362 HydrophobicContact CE1-CG 3.92Å; F358-E362 HydrophobicContact CE2-CG 4.34Å; F358-E362 HydrophobicContact CZ-CG 3.9Å; F358-E362 PolarHBondContact O-N 2.95Å; F358-G368 VanDerWaalsContact CD2-C 3.46Å; F358-V372 HydrophobicContact CB-CG2 3.51Å; F358-V372 HydrophobicContact CD2-CG2 3.9Å; F358-V372 HydrophobicContact CG-CG2 4.19Å |
| 359 | L | 92.9 | Very high | 91.4 | Very high | 80 Ų | 80 | 43 Ų | 43 | 42% | 0.419 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.2 | -42.9 | -172.9 | -62.6 | 175 | 0 | 0 | 0 | 112.8 | Y355 L356 S361 A363 | Y355-L359 HydrophobicContact CD1-CD1 3.93Å; Y355-L359 HydrophobicContact CD1-CG 4.32Å; Y355-L359 HydrophobicContact CE1-CD1 3.71Å; Y355-L359 HydrophobicContact CE1-CD2 4.1Å; Y355-L359 HydrophobicContact CE1-CG 3.99Å; Y355-L359 PolarHBondContact O-N 3.37Å; L356-L359 PolarHBondContact O-N 2.97Å; L359-S361 PolarHBondContact O-N 3.27Å; L359-A363 WeakPolarHBondContact O-CB 3.49Å; L359-A363 PolarHBondContact O-N 3.31Å |
| 360 | V | 94.3 | Very high | 91.2 | Very high | 65 Ų | 65 | 41.1 Ų | 41.1 | 39% | 0.394 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.4 | -30.3 | 177.7 | 172.5 | 0 | 0 | 0 | 0 | 111.8 | V322 L356 F358 A364 | V322-V360 HydrophobicContact CG1-CB 4.36Å; V322-V360 HydrophobicContact CG1-CG1 3.89Å; L356-V360 HydrophobicContact CD1-CG2 3.75Å; L356-V360 HydrophobicContact CG-CG2 3.93Å; L356-V360 WeakPolarHBondContact O-CB 3.42Å; L356-V360 VanDerWaalsContact O-CG2 3.31Å; L356-V360 WeakPolarHBondContact O-CG2 3.35Å; L356-V360 PolarHBondContact O-N 3.01Å; F358-V360 PolarHBondContact O-N 2.74Å; V360-A364 WeakPolarHBondContact O-CB 3.25Å; V360-A364 PolarHBondContact O-N 2.83Å |
| 361 | S | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -74.3 | -52.6 | 177.4 | -171.9 | 0 | 0 | 0 | 0 | 111 | S357 F358 L359 A363 A364 H365 L366 T367 G368 | S357-S361 WeakPolarHBondContact O-CB 3.46Å; F358-S361 WeakPolarHBondContact O-CB 3.38Å; F358-S361 PolarHBondContact O-N 3.33Å; L359-S361 PolarHBondContact O-N 3.27Å; S361-A363 VanDerWaalsContact C-N 3.32Å; S361-A363 PolarHBondContact O-N 3.15Å; S361-A364 CarbonylContact O-C 3.52Å; S361-A364 WeakPolarHBondContact O-CA 3.46Å; S361-A364 WeakPolarHBondContact O-CB 3.4Å; S361-A364 PolarHBondContact O-N 3.26Å; S361-H365 PolarHBondContact O-N 2.72Å; S361-L366 CarbonylContact C-O 3.59Å; S361-L366 WeakPolarHBondContact O-CA 3.3Å; S361-L366 WeakPolarHBondContact O-CB 3.2Å; S361-L366 PolarHBondContact O-N 2.89Å; S361-L366 VanDerWaalsContact OG-CB 3.29Å; S361-L366 WeakPolarHBondContact OG-CB 3.35Å; S361-L366 PolarHBondContact OG-O 3.36Å; S361-T367 VanDerWaalsContact OG-C 3.29Å; S361-T367 PolarHBondContact OG-O 3.49Å; S361-G368 PolarHBondContact OG-N 3.05Å |
| 362 | E | 89.1 | Confident | 91.3 | Very high | 77 Ų | 77 | 40.7 Ų | 40.7 | 36% | 0.36 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 180 | -66.9 | -60.5 | 149.9 | 0 | 0 | 111.6 | F358 A364 H365 L366 G368 | F358-E362 HydrophobicContact CD1-CG 4.36Å; F358-E362 HydrophobicContact CE1-CG 3.92Å; F358-E362 HydrophobicContact CE2-CG 4.34Å; F358-E362 HydrophobicContact CZ-CG 3.9Å; F358-E362 PolarHBondContact O-N 2.95Å; E362-A364 PolarHBondContact O-N 3.4Å; E362-H365 PolarHBondContact O-N 3.47Å; E362-L366 PolarHBondContact N-O 3.2Å; E362-G368 WeakPolarHBondContact OE1-CA 3.47Å; E362-G368 PolarHBondContact OE1-N 2.68Å |
| 363 | A | 92.3 | Very high | 91.1 | Very high | 86 Ų | 86 | 35.1 Ų | 35.1 | 71% | 0.711 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114 | L359 S361 | L359-A363 WeakPolarHBondContact O-CB 3.49Å; L359-A363 PolarHBondContact O-N 3.31Å; S361-A363 VanDerWaalsContact C-N 3.32Å; S361-A363 PolarHBondContact O-N 3.15Å |
| 364 | A | 92.1 | Very high | 91.1 | Very high | 54 Ų | 54 | 34.1 Ų | 34.1 | 45% | 0.446 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 9.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | V360 S361 E362 L366 | V360-A364 WeakPolarHBondContact O-CB 3.25Å; V360-A364 PolarHBondContact O-N 2.83Å; S361-A364 CarbonylContact O-C 3.52Å; S361-A364 WeakPolarHBondContact O-CA 3.46Å; S361-A364 WeakPolarHBondContact O-CB 3.4Å; S361-A364 PolarHBondContact O-N 3.26Å; E362-A364 PolarHBondContact O-N 3.4Å; A364-L366 VanDerWaalsContact C-N 3.26Å; A364-L366 HydrophobicContact CB-CD1 4.11Å; A364-L366 HydrophobicContact CB-CG 4.28Å; A364-L366 PolarHBondContact O-N 3.33Å |
| 365 | H | 86.3 | Confident | 91.1 | Very high | 172 Ų | 172 | 34 Ų | 34 | 80% | 0.796 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 35.3 | -172.1 | -54.1 | -53.9 | 0 | 0 | 0 | 113.8 | S361 E362 | S361-H365 PolarHBondContact O-N 2.72Å; E362-H365 PolarHBondContact O-N 3.47Å |
| 366 | L | 88.3 | Confident | 91 | Very high | 33 Ų | 33 | 32.2 Ų | 32.2 | 17% | 0.173 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -116.3 | 146.6 | 176.8 | -66.4 | 173.4 | 0 | 0 | 0 | 110.1 | V315 V322 S361 E362 A364 G368 | V315-L366 HydrophobicContact CB-CD2 4.43Å; V315-L366 HydrophobicContact CG1-CD2 4.45Å; V315-L366 HydrophobicContact CG2-CD2 4.41Å; V322-L366 HydrophobicContact CG2-CD1 3.96Å; S361-L366 CarbonylContact C-O 3.59Å; S361-L366 WeakPolarHBondContact O-CA 3.3Å; S361-L366 WeakPolarHBondContact O-CB 3.2Å; S361-L366 PolarHBondContact O-N 2.89Å; S361-L366 VanDerWaalsContact OG-CB 3.29Å; S361-L366 WeakPolarHBondContact OG-CB 3.35Å; S361-L366 PolarHBondContact OG-O 3.36Å; E362-L366 PolarHBondContact N-O 3.2Å; A364-L366 VanDerWaalsContact C-N 3.26Å; A364-L366 HydrophobicContact CB-CD1 4.11Å; A364-L366 HydrophobicContact CB-CG 4.28Å; A364-L366 PolarHBondContact O-N 3.33Å; L366-G368 PolarHBondContact O-N 3.01Å |
| 367 | T | 87.2 | Confident | 90.8 | Very high | 18 Ų | 18 | 29.3 Ų | 29.3 | 11% | 0.11 | 17% | 0.169 | C | C | . | . | trans | -68 | 103.9 | -175.3 | 46.2 | 0 | 0 | 0 | 0 | 113.6 | V315 S319 S361 I369 V370 S371 | V315-T367 HydrophobicContact CG1-CG2 3.87Å; S319-T367 WeakPolarHBondContact CB-O 3.5Å; S319-T367 PolarHBondContact OG-N 3.38Å; S319-T367 PolarHBondContact OG-O 3.16Å; S319-T367 PolarHBondContact OG-OG1 3.34Å; S361-T367 VanDerWaalsContact OG-C 3.29Å; S361-T367 PolarHBondContact OG-O 3.49Å; T367-I369 PolarHBondContact O-N 3.45Å; T367-I369 VanDerWaalsContact O-N 3.15Å; T367-V370 PolarHBondContact O-N 3.14Å; T367-S371 PolarHBondContact O-N 2.83Å | ||
| 368 | G | 88.1 | Confident | 90.7 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.9 | -30.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F358 S361 E362 L366 V370 S371 V372 | F358-G368 VanDerWaalsContact CD2-C 3.46Å; S361-G368 PolarHBondContact OG-N 3.05Å; E362-G368 WeakPolarHBondContact OE1-CA 3.47Å; E362-G368 PolarHBondContact OE1-N 2.68Å; L366-G368 PolarHBondContact O-N 3.01Å; G368-V370 VanDerWaalsContact C-N 3.34Å; G368-V370 PolarHBondContact O-N 3.19Å; G368-S371 PolarHBondContact O-N 2.87Å; G368-V372 WeakPolarHBondContact O-CB 3.34Å; G368-V372 VanDerWaalsContact O-CG2 3.25Å; G368-V372 WeakPolarHBondContact O-CG2 3.41Å; G368-V372 PolarHBondContact O-N 3.48Å |
| 369 | I | 86.5 | Confident | 90.6 | Very high | 7 Ų | 7 | 29.5 Ų | 29.5 | 4% | 0.036 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -53.2 | -49.9 | 172.8 | -51.7 | 173.2 | 0 | 0 | 0 | 111.1 | F174 L178 I182 I280 T367 L373 M504 | F174-I369 HydrophobicContact CD1-CD1 4.42Å; L178-I369 HydrophobicContact CD2-CD1 3.78Å; L178-I369 HydrophobicContact CD2-CG1 3.76Å; L178-I369 HydrophobicContact CD2-CG2 4.36Å; I182-I369 HydrophobicContact CG1-CG2 4.24Å; I182-I369 HydrophobicContact CG2-CG2 4.41Å; I280-I369 HydrophobicContact CD1-CD1 3.77Å; T367-I369 PolarHBondContact O-N 3.45Å; T367-I369 VanDerWaalsContact O-N 3.15Å; I369-L373 PolarHBondContact O-N 3.38Å; I369-L373 VanDerWaalsContact O-N 3.16Å; I369-M504 HydrophobicContact CD1-CE 4.12Å |
| 370 | V | 88.2 | Confident | 90.5 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -72.4 | -39.3 | -178.9 | 178.1 | 0 | 0 | 0 | 0 | 110.3 | L274 A277 F316 T367 G368 V372 L373 F374 | L274-V370 HydrophobicContact CD2-CG2 4.36Å; A277-V370 HydrophobicContact CB-CG2 3.63Å; F316-V370 HydrophobicContact CD2-CG1 3.94Å; F316-V370 HydrophobicContact CD2-CG2 4.5Å; F316-V370 HydrophobicContact CE2-CG1 3.96Å; T367-V370 PolarHBondContact O-N 3.14Å; G368-V370 VanDerWaalsContact C-N 3.34Å; G368-V370 PolarHBondContact O-N 3.19Å; V370-V372 PolarHBondContact O-N 3.01Å; V370-L373 PolarHBondContact O-N 2.93Å; V370-F374 HydrophobicContact CG1-CD2 3.82Å; V370-F374 HydrophobicContact CG1-CE2 3.87Å; V370-F374 WeakPolarHBondContact O-CD2 3.46Å; V370-F374 PolarHBondContact O-N 2.92Å; V370-F374 VanDerWaalsContact O-N 3.14Å |
| 371 | S | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.9 | -47.9 | 174.7 | -176.5 | 0 | 0 | 0 | 0 | 111.9 | S319 G323 S357 T367 G368 L373 F374 C375 | S319-S371 WeakPolarHBondContact O-CA 3.4Å; G323-S371 WeakPolarHBondContact CA-O 3.29Å; G323-S371 VanDerWaalsContact CA-OG 3.24Å; G323-S371 WeakPolarHBondContact CA-OG 3.35Å; G323-S371 PolarHBondContact N-OG 3.25Å; S357-S371 VanDerWaalsContact O-CB 3.29Å; S357-S371 WeakPolarHBondContact O-CB 3.28Å; S357-S371 PolarHBondContact O-OG 2.88Å; T367-S371 PolarHBondContact O-N 2.83Å; G368-S371 PolarHBondContact O-N 2.87Å; S371-L373 PolarHBondContact O-N 3.14Å; S371-F374 PolarHBondContact O-N 3.49Å; S371-C375 VanDerWaalsContact O-CB 3.29Å; S371-C375 WeakPolarHBondContact O-CB 3.4Å; S371-C375 PolarHBondContact O-N 2.81Å |
| 372 | V | 92.8 | Very high | 89.6 | Confident | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63 | -41.9 | 178.5 | 169.7 | 0 | 0 | 0 | 0 | 112.4 | P179 I182 F183 F358 G368 V370 F374 C375 G376 | P179-V372 HydrophobicContact CB-CG2 4.38Å; P179-V372 WeakPolarHBondContact O-CG1 3.34Å; I182-V372 HydrophobicContact CG2-CG1 4.44Å; F183-V372 HydrophobicContact CB-CG1 3.64Å; F183-V372 HydrophobicContact CD2-CG1 4.2Å; F183-V372 HydrophobicContact CG-CG1 4.44Å; F358-V372 HydrophobicContact CB-CG2 3.51Å; F358-V372 HydrophobicContact CD2-CG2 3.9Å; F358-V372 HydrophobicContact CG-CG2 4.19Å; G368-V372 WeakPolarHBondContact O-CB 3.34Å; G368-V372 VanDerWaalsContact O-CG2 3.25Å; G368-V372 WeakPolarHBondContact O-CG2 3.41Å; G368-V372 PolarHBondContact O-N 3.48Å; V370-V372 PolarHBondContact O-N 3.01Å; V372-F374 PolarHBondContact O-N 2.96Å; V372-C375 PolarHBondContact O-N 2.86Å; V372-G376 PolarHBondContact O-N 3.39Å |
| 373 | L | 89.5 | Confident | 89.7 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.1 | -51.3 | 175.9 | 176.7 | 61.9 | 0 | 0 | 0 | 111.4 | I182 F269 A273 L274 I369 V370 S371 G376 I377 | I182-L373 HydrophobicContact CG2-CB 3.75Å; I182-L373 HydrophobicContact CG2-CD1 4.37Å; F269-L373 HydrophobicContact CE1-CD1 3.97Å; F269-L373 HydrophobicContact CZ-CD1 3.52Å; A273-L373 HydrophobicContact CB-CD2 4.11Å; L274-L373 HydrophobicContact CD2-CD2 3.72Å; L274-L373 HydrophobicContact CG-CD2 4.47Å; I369-L373 PolarHBondContact O-N 3.38Å; I369-L373 VanDerWaalsContact O-N 3.16Å; V370-L373 PolarHBondContact O-N 2.93Å; S371-L373 PolarHBondContact O-N 3.14Å; L373-G376 PolarHBondContact O-N 3.38Å; L373-I377 HydrophobicContact CD1-CD1 4.16Å; L373-I377 HydrophobicContact CG-CD1 4.17Å; L373-I377 WeakPolarHBondContact O-CG1 3.3Å; L373-I377 PolarHBondContact O-N 3.37Å; L373-I377 VanDerWaalsContact O-N 3.07Å |
| 374 | F | 90.9 | Very high | 89.5 | Confident | 8 Ų | 8 | 20.8 Ų | 20.8 | 4% | 0.035 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -71.8 | -29.9 | 179.4 | -77.3 | -74.3 | 0 | 0 | 0 | 112.6 | F195 F316 M320 V370 S371 V372 I377 C378 | F195-F374 HydrophobicContact CE1-CE1 4.48Å; F195-F374 HydrophobicContact CZ-CE1 4.46Å; F316-F374 HydrophobicContact CE2-CE2 4.21Å; F316-F374 HydrophobicContact CZ-CE2 4.05Å; F316-F374 HydrophobicContact CZ-CZ 4.23Å; M320-F374 HydrophobicContact CB-CD2 3.8Å; M320-F374 HydrophobicContact CB-CE2 3.95Å; M320-F374 HydrophobicContact CB-CG 4.27Å; M320-F374 HydrophobicContact CG-CB 4.45Å; M320-F374 HydrophobicContact CG-CD1 3.83Å; M320-F374 HydrophobicContact CG-CD2 3.61Å; M320-F374 HydrophobicContact CG-CE1 3.9Å; M320-F374 HydrophobicContact CG-CE2 3.68Å; M320-F374 HydrophobicContact CG-CG 3.69Å; M320-F374 HydrophobicContact CG-CZ 3.83Å; M320-F374 HydrophobicContact SD-CE1 4.11Å; M320-F374 HydrophobicContact SD-CE2 4.27Å; M320-F374 HydrophobicContact SD-CZ 3.94Å; V370-F374 HydrophobicContact CG1-CD2 3.82Å; V370-F374 HydrophobicContact CG1-CE2 3.87Å; V370-F374 WeakPolarHBondContact O-CD2 3.46Å; V370-F374 PolarHBondContact O-N 2.92Å; V370-F374 VanDerWaalsContact O-N 3.14Å; S371-F374 PolarHBondContact O-N 3.49Å; V372-F374 PolarHBondContact O-N 2.96Å; F374-I377 HydrophobicContact CD1-CD1 4.4Å; F374-C378 WeakPolarHBondContact O-CB 3.29Å; F374-C378 PolarHBondContact O-N 2.94Å |
| 375 | C | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62 | -47.1 | 170.1 | -164.5 | 0 | 0 | 0 | 0 | 111.4 | G323 S357 S371 V372 I377 C378 Q379 | G323-C375 VanDerWaalsContact O-CA 3.31Å; G323-C375 WeakPolarHBondContact O-CA 3.34Å; G323-C375 WeakPolarHBondContact O-CB 3.43Å; S357-C375 VanDerWaalsContact OG-CB 3.29Å; S357-C375 WeakPolarHBondContact OG-CB 2.75Å; S371-C375 VanDerWaalsContact O-CB 3.29Å; S371-C375 WeakPolarHBondContact O-CB 3.4Å; S371-C375 PolarHBondContact O-N 2.81Å; V372-C375 PolarHBondContact O-N 2.86Å; C375-I377 PolarHBondContact O-N 3.31Å; C375-C378 PolarHBondContact O-N 3.22Å; C375-Q379 WeakPolarHBondContact O-CB 3.44Å; C375-Q379 WeakPolarHBondContact O-CG 3.42Å; C375-Q379 PolarHBondContact O-N 2.96Å |
| 376 | G | 91.8 | Very high | 89 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.6 | -45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | V372 L373 C378 A380 | V372-G376 PolarHBondContact O-N 3.39Å; L373-G376 PolarHBondContact O-N 3.38Å; G376-C378 VanDerWaalsContact C-N 3.34Å; G376-C378 PolarHBondContact O-N 2.98Å; G376-A380 WeakPolarHBondContact O-CB 3.18Å; G376-A380 PolarHBondContact O-N 2.93Å |
| 377 | I | 88.8 | Confident | 88.9 | Confident | 8 Ų | 8 | 12.5 Ų | 12.5 | 4% | 0.041 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 175.1 | -68.1 | 168 | 0 | 0 | 0 | 111.3 | G186 L189 K191 F194 F195 L373 F374 C375 H381 | G186-I377 WeakPolarHBondContact O-CG1 3.4Å; L189-I377 HydrophobicContact CD2-CD1 3.85Å; L189-I377 HydrophobicContact CD2-CG1 4.02Å; K191-I377 HydrophobicContact CD-CG2 4.5Å; K191-I377 WeakPolarHBondContact CE-O 3.25Å; F194-I377 HydrophobicContact CD1-CD1 4.33Å; F194-I377 HydrophobicContact CE1-CD1 3.87Å; F194-I377 HydrophobicContact CZ-CD1 4.28Å; F195-I377 HydrophobicContact CE2-CG2 3.67Å; F195-I377 HydrophobicContact CZ-CG2 3.91Å; L373-I377 HydrophobicContact CD1-CD1 4.16Å; L373-I377 HydrophobicContact CG-CD1 4.17Å; L373-I377 WeakPolarHBondContact O-CG1 3.3Å; L373-I377 PolarHBondContact O-N 3.37Å; L373-I377 VanDerWaalsContact O-N 3.07Å; F374-I377 HydrophobicContact CD1-CD1 4.4Å; C375-I377 PolarHBondContact O-N 3.31Å; I377-H381 PolarHBondContact O-N 2.96Å |
| 378 | C | 91 | Very high | 88.9 | Confident | 9 Ų | 9 | 12.8 Ų | 12.8 | 6% | 0.061 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -68.4 | -51.9 | -179.6 | -175.8 | 0 | 0 | 0 | 0 | 111.8 | S324 G327 C328 F374 C375 G376 A380 H381 Y382 | S324-C378 PolarHBondContact O-SG 3.44Å; G327-C378 VanDerWaalsContact C-SG 3.55Å; C328-C378 PolarHBondContact N-SG 2.69Å; C328-C378 VanDerWaalsContact SG-SG 3.7Å; F374-C378 WeakPolarHBondContact O-CB 3.29Å; F374-C378 PolarHBondContact O-N 2.94Å; C375-C378 PolarHBondContact O-N 3.22Å; G376-C378 VanDerWaalsContact C-N 3.34Å; G376-C378 PolarHBondContact O-N 2.98Å; C378-A380 VanDerWaalsContact C-N 3.27Å; C378-A380 PolarHBondContact O-N 3.41Å; C378-H381 PolarHBondContact O-N 2.81Å; C378-Y382 VanDerWaalsContact O-CD2 3.28Å; C378-Y382 WeakPolarHBondContact O-CD2 3.24Å; C378-Y382 PolarHBondContact O-N 3.3Å; C378-Y382 VanDerWaalsContact SG-CD2 3.52Å; C378-Y382 VanDerWaalsContact SG-CE2 3.57Å |
| 379 | Q | 92.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.3 | -36.8 | 176.3 | -71.7 | -174.2 | -16.5 | 0 | 0 | 111.4 | F350 S354 C375 H381 T383 F384 | F350-Q379 HydrophobicContact CE2-CB 3.88Å; F350-Q379 HydrophobicContact CE2-CG 4.37Å; F350-Q379 HydrophobicContact CZ-CB 3.8Å; F350-Q379 HydrophobicContact CZ-CG 4.44Å; F350-Q379 VanDerWaalsContact CZ-OE1 3.29Å; S354-Q379 PolarHBondContact OG-OE1 3.49Å; C375-Q379 WeakPolarHBondContact O-CB 3.44Å; C375-Q379 WeakPolarHBondContact O-CG 3.42Å; C375-Q379 PolarHBondContact O-N 2.96Å; Q379-H381 VanDerWaalsContact C-N 3.26Å; Q379-H381 PolarHBondContact O-N 2.61Å; Q379-T383 WeakPolarHBondContact O-CB 3.48Å; Q379-T383 PolarHBondContact O-N 2.75Å; Q379-F384 WeakPolarHBondContact O-CB 3.41Å; Q379-F384 PolarHBondContact O-N 3.17Å |
| 380 | A | 89.4 | Confident | 88.8 | Confident | 10 Ų | 10 | 22.6 Ų | 22.6 | 8% | 0.083 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -9.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y187 K191 G376 C378 | Y187-A380 HydrophobicContact CD2-CB 3.54Å; Y187-A380 HydrophobicContact CE2-CB 4.01Å; Y187-A380 HydrophobicContact CG-CB 4.22Å; Y187-A380 VanDerWaalsContact O-CB 3.23Å; Y187-A380 WeakPolarHBondContact O-CB 3.48Å; K191-A380 VanDerWaalsContact CE-C 3.43Å; K191-A380 VanDerWaalsContact CE-CB 3.49Å; K191-A380 WeakPolarHBondContact CE-O 3.4Å; K191-A380 VanDerWaalsContact NZ-C 3.29Å; K191-A380 PolarHBondContact NZ-O 3.16Å; G376-A380 WeakPolarHBondContact O-CB 3.18Å; G376-A380 PolarHBondContact O-N 2.93Å; C378-A380 VanDerWaalsContact C-N 3.27Å; C378-A380 PolarHBondContact O-N 3.41Å |
| 381 | H | 84.1 | Confident | 88.8 | Confident | 29 Ų | 29 | 22.6 Ų | 22.6 | 13% | 0.134 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -46.9 | 174.3 | -164.3 | 114.2 | 0 | 0 | 0 | 111.6 | K191 I377 C378 Q379 N385 H602 | K191-H381 HydrophobicContact CD-CB 4.09Å; I377-H381 PolarHBondContact O-N 2.96Å; C378-H381 PolarHBondContact O-N 2.81Å; Q379-H381 VanDerWaalsContact C-N 3.26Å; Q379-H381 PolarHBondContact O-N 2.61Å; H381-N385 PolarHBondContact O-ND2 3.04Å; H381-H602 AromaticContact NE2-CE1 3.8Å; H381-H602 AromaticContact NE2-NE2 3.82Å |
| 382 | Y | 86.1 | Confident | 88.7 | Confident | 20 Ų | 20 | 25.2 Ų | 25.2 | 8% | 0.078 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | -63.7 | -174.4 | -43.3 | -75.6 | 0 | 0 | 0 | 111.6 | S331 C378 F384 N385 H602 L606 L610 T611 | S331-Y382 VanDerWaalsContact OG-C 3.26Å; S331-Y382 WeakPolarHBondContact OG-CB 3.41Å; C378-Y382 VanDerWaalsContact O-CD2 3.28Å; C378-Y382 WeakPolarHBondContact O-CD2 3.24Å; C378-Y382 PolarHBondContact O-N 3.3Å; C378-Y382 VanDerWaalsContact SG-CD2 3.52Å; C378-Y382 VanDerWaalsContact SG-CE2 3.57Å; Y382-F384 VanDerWaalsContact C-N 3.32Å; Y382-F384 PolarHBondContact O-N 3.2Å; Y382-N385 WeakPolarHBondContact O-CB 3.2Å; Y382-N385 PolarHBondContact O-N 3.13Å; Y382-H602 AromaticContact CE1-CD2 4Å; Y382-H602 AromaticContact CE1-NE2 3.47Å; Y382-H602 WeakPolarHBondContact CE1-NE2 3.33Å; Y382-H602 AromaticContact CZ-NE2 3.79Å; Y382-H602 PolarHBondContact OH-CD2 3.27Å; Y382-H602 PolarHBondContact OH-NE2 3.28Å; Y382-L606 HydrophobicContact CE1-CD2 4.44Å; Y382-L610 HydrophobicContact CD1-CB 4.06Å; Y382-L610 HydrophobicContact CD1-CD1 3.66Å; Y382-L610 HydrophobicContact CD1-CG 4.48Å; Y382-L610 HydrophobicContact CD2-CD1 3.67Å; Y382-L610 HydrophobicContact CE1-CD1 3.84Å; Y382-L610 HydrophobicContact CE2-CD1 3.85Å; Y382-L610 HydrophobicContact CG-CB 4.11Å; Y382-L610 HydrophobicContact CG-CD1 3.56Å; Y382-L610 HydrophobicContact CG-CG 4.5Å; Y382-T611 HydrophobicContact CD1-CG2 4.27Å |
| 383 | T | 90.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -56.1 | -44.2 | -173.3 | -43.1 | 0 | 0 | 0 | 0 | 112.2 | G327 A330 S331 M334 F350 Q379 N385 N386 L387 | G327-T383 PolarHBondContact O-OG1 3.12Å; A330-T383 HydrophobicContact CB-CG2 4.42Å; S331-T383 WeakPolarHBondContact CA-OG1 3.41Å; S331-T383 WeakPolarHBondContact CB-OG1 3.38Å; S331-T383 PolarHBondContact N-OG1 3.24Å; S331-T383 PolarHBondContact OG-N 3.01Å; M334-T383 HydrophobicContact CB-CG2 4.24Å; M334-T383 HydrophobicContact CG-CG2 3.72Å; F350-T383 HydrophobicContact CD2-CG2 3.77Å; F350-T383 HydrophobicContact CE2-CG2 3.84Å; Q379-T383 WeakPolarHBondContact O-CB 3.48Å; Q379-T383 PolarHBondContact O-N 2.75Å; T383-N385 PolarHBondContact O-N 2.79Å; T383-N385 VanDerWaalsContact O-N 3.15Å; T383-N386 PolarHBondContact O-N 3.24Å; T383-L387 PolarHBondContact O-N 3.22Å |
| 384 | F | 88 | Confident | 88.5 | Confident | 65 Ų | 65 | 32.3 Ų | 32.3 | 29% | 0.285 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -55.8 | -32.3 | 177.9 | -177.8 | -99.6 | 0 | 0 | 0 | 112.9 | Y187 Q379 Y382 L387 K392 | Y187-F384 HydrophobicContact CE2-CD2 4.48Å; Y187-F384 WeakPolarHBondContact OH-CD2 3.38Å; Q379-F384 WeakPolarHBondContact O-CB 3.41Å; Q379-F384 PolarHBondContact O-N 3.17Å; Y382-F384 VanDerWaalsContact C-N 3.32Å; Y382-F384 PolarHBondContact O-N 3.2Å; F384-L387 HydrophobicContact CD2-CD1 4.33Å; F384-K392 HydrophobicContact CD2-CB 4.47Å; F384-K392 HydrophobicContact CD2-CG 4.01Å; F384-K392 HydrophobicContact CE1-CG 4.4Å; F384-K392 HydrophobicContact CE2-CB 3.69Å; F384-K392 HydrophobicContact CE2-CG 3.63Å; F384-K392 HydrophobicContact CZ-CB 3.95Å; F384-K392 HydrophobicContact CZ-CD 4.36Å; F384-K392 HydrophobicContact CZ-CG 3.84Å; F384-K392 WeakPolarHBondContact O-CE 3.22Å |
| 385 | N | 83.5 | Confident | 88.6 | Confident | 69 Ų | 69 | 32 Ų | 32 | 37% | 0.369 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -73.4 | -29.8 | 178.3 | -75.1 | -54.4 | 0 | 0 | 0 | 112.4 | H381 Y382 T383 K392 T611 | H381-N385 PolarHBondContact O-ND2 3.04Å; Y382-N385 WeakPolarHBondContact O-CB 3.2Å; Y382-N385 PolarHBondContact O-N 3.13Å; T383-N385 PolarHBondContact O-N 2.79Å; T383-N385 VanDerWaalsContact O-N 3.15Å; N385-K392 PolarHBondContact O-NZ 3.49Å; N385-T611 HydrophobicContact CB-CG2 4.45Å |
| 386 | N | 85.9 | Confident | 88.3 | Confident | 14 Ų | 14 | 36.4 Ų | 36.4 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -77.7 | -28.2 | 177.8 | -64.7 | -18.1 | 0 | 0 | 0 | 113.5 | S331 M334 T383 L610 T611 N612 | S331-N386 PolarHBondContact O-ND2 3.29Å; S331-N386 PolarHBondContact OG-ND2 3.01Å; M334-N386 HydrophobicContact CB-CB 4.21Å; T383-N386 PolarHBondContact O-N 3.24Å; N386-L610 PolarHBondContact ND2-O 3.38Å; N386-T611 WeakPolarHBondContact OD1-CA 3.3Å; N386-N612 PolarHBondContact OD1-N 3.44Å |
| 387 | L | 86.1 | Confident | 88.3 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -56.3 | 149.1 | -178 | -69.7 | -179.9 | 0 | 0 | 0 | 113.4 | M334 E346 F350 T383 F384 K392 T395 | M334-L387 HydrophobicContact CG-CD2 4.48Å; E346-L387 HydrophobicContact CG-CD2 3.63Å; E346-L387 VanDerWaalsContact OE1-CA 3.3Å; E346-L387 WeakPolarHBondContact OE1-CA 3.26Å; F350-L387 HydrophobicContact CD2-CD1 3.95Å; F350-L387 HydrophobicContact CD2-CD2 4.18Å; F350-L387 HydrophobicContact CD2-CG 4.47Å; F350-L387 HydrophobicContact CE2-CD1 4.11Å; T383-L387 PolarHBondContact O-N 3.22Å; F384-L387 HydrophobicContact CD2-CD1 4.33Å; L387-K392 HydrophobicContact CB-CG 3.8Å; L387-K392 WeakPolarHBondContact O-CE 3.4Å; L387-K392 PolarHBondContact O-NZ 2.91Å; L387-T395 HydrophobicContact CD1-CG2 4.33Å |
| 388 | S | 86.8 | Confident | 88.3 | Confident | 23 Ų | 23 | 43.4 Ų | 43.4 | 16% | 0.161 | 22% | 0.217 | C | C | . | . | trans | -56.9 | 157.1 | 165 | 68.9 | 0 | 0 | 0 | 0 | 112.6 | E346 E390 S391 K392 | E346-S388 PolarHBondContact OE1-N 2.82Å; E346-S388 VanDerWaalsContact OE2-CB 3.22Å; E346-S388 WeakPolarHBondContact OE2-CB 3.41Å; E346-S388 PolarHBondContact OE2-N 2.76Å; E346-S388 VanDerWaalsContact OE2-N 3.17Å; E346-S388 PolarHBondContact OE2-OG 3.29Å; S388-E390 PolarHBondContact O-N 2.64Å; S388-S391 PolarHBondContact O-N 2.79Å; S388-S391 WeakPolarHBondContact OG-CB 3.4Å; S388-S391 PolarHBondContact OG-N 3.3Å; S388-S391 VanDerWaalsContact OG-N 3.09Å; S388-S391 PolarHBondContact OG-OG 3.39Å; S388-S391 VanDerWaalsContact OG-OG 3.1Å; S388-K392 WeakPolarHBondContact O-CB 3.16Å; S388-K392 WeakPolarHBondContact O-CD 3.49Å; S388-K392 WeakPolarHBondContact O-CG 3.35Å; S388-K392 PolarHBondContact O-N 2.8Å | ||
| 389 | T | 85.2 | Confident | 88.3 | Confident | 124 Ų | 124 | 43.2 Ų | 43.2 | 76% | 0.761 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -59.1 | -35.1 | 175.7 | 41.5 | 0 | 0 | 0 | 0 | 112.6 | C393 | T389-C393 PolarHBondContact O-N 3.49Å |
| 390 | E | 86.5 | Confident | 88 | Confident | 90 Ų | 90 | 47 Ų | 47 | 42% | 0.421 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.3 | -50.8 | 176.1 | -173.1 | 176.1 | -160.2 | 0 | 0 | 111.5 | P343 S388 K392 C393 R394 | P343-E390 HydrophobicContact CB-CB 4.2Å; P343-E390 HydrophobicContact CB-CG 4.34Å; P343-E390 WeakPolarHBondContact CB-OE2 3.44Å; P343-E390 HydrophobicContact CG-CB 4.39Å; P343-E390 WeakPolarHBondContact CG-OE2 3.3Å; S388-E390 PolarHBondContact O-N 2.64Å; E390-K392 VanDerWaalsContact C-N 3.28Å; E390-K392 PolarHBondContact O-N 3.17Å; E390-C393 WeakPolarHBondContact O-CA 3.19Å; E390-C393 WeakPolarHBondContact O-CB 3.45Å; E390-C393 PolarHBondContact O-N 3.22Å; E390-R394 VanDerWaalsContact CD-NE 3.27Å; E390-R394 VanDerWaalsContact CD-NH2 3.33Å; E390-R394 HydrophobicContact CG-CG 4.13Å; E390-R394 WeakPolarHBondContact O-CG 3.27Å; E390-R394 PolarHBondContact O-N 3.2Å; E390-R394 IonicContact OE1-CZ 3.48Å; E390-R394 IonicContact OE1-NE 2.71Å; E390-R394 PolarHBondContact OE1-NE 3.41Å; E390-R394 IonicContact OE1-NH2 3.43Å; E390-R394 PolarHBondContact OE1-NH2 3.12Å; E390-R394 IonicContact OE2-CZ 3.63Å; E390-R394 IonicContact OE2-NE 3.76Å; E390-R394 IonicContact OE2-NH2 2.68Å |
| 391 | S | 89.7 | Confident | 87.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61 | -35.6 | 178.1 | -65.1 | 0 | 0 | 0 | 0 | 112.7 | P343 E346 S347 S388 C393 R394 T395 | P343-S391 WeakPolarHBondContact CA-OG 3.31Å; P343-S391 PolarHBondContact O-OG 3.3Å; P343-S391 VanDerWaalsContact O-OG 3.06Å; E346-S391 WeakPolarHBondContact OE2-CB 3.27Å; E346-S391 PolarHBondContact OE2-OG 2.98Å; S347-S391 WeakPolarHBondContact OG-CB 3.5Å; S347-S391 PolarHBondContact OG-OG 3.43Å; S347-S391 VanDerWaalsContact OG-OG 3.13Å; S388-S391 PolarHBondContact O-N 2.79Å; S388-S391 WeakPolarHBondContact OG-CB 3.4Å; S388-S391 PolarHBondContact OG-N 3.3Å; S388-S391 VanDerWaalsContact OG-N 3.09Å; S388-S391 PolarHBondContact OG-OG 3.39Å; S388-S391 VanDerWaalsContact OG-OG 3.1Å; S391-C393 PolarHBondContact O-N 3.39Å; S391-R394 PolarHBondContact O-N 2.9Å; S391-T395 WeakPolarHBondContact O-CB 3.43Å; S391-T395 WeakPolarHBondContact O-CG2 3.46Å; S391-T395 PolarHBondContact O-N 3.26Å; S391-T395 PolarHBondContact O-OG1 3.38Å |
| 392 | K | 90 | Very high | 88 | Confident | 54 Ų | 54 | 50 Ų | 50 | 24% | 0.235 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.8 | -37 | 171.6 | -76.2 | 163.5 | 171.6 | 146.7 | 0 | 112.8 | F384 N385 L387 S388 E390 | F384-K392 HydrophobicContact CD2-CB 4.47Å; F384-K392 HydrophobicContact CD2-CG 4.01Å; F384-K392 HydrophobicContact CE1-CG 4.4Å; F384-K392 HydrophobicContact CE2-CB 3.69Å; F384-K392 HydrophobicContact CE2-CG 3.63Å; F384-K392 HydrophobicContact CZ-CB 3.95Å; F384-K392 HydrophobicContact CZ-CD 4.36Å; F384-K392 HydrophobicContact CZ-CG 3.84Å; F384-K392 WeakPolarHBondContact O-CE 3.22Å; N385-K392 PolarHBondContact O-NZ 3.49Å; L387-K392 HydrophobicContact CB-CG 3.8Å; L387-K392 WeakPolarHBondContact O-CE 3.4Å; L387-K392 PolarHBondContact O-NZ 2.91Å; S388-K392 WeakPolarHBondContact O-CB 3.16Å; S388-K392 WeakPolarHBondContact O-CD 3.49Å; S388-K392 WeakPolarHBondContact O-CG 3.35Å; S388-K392 PolarHBondContact O-N 2.8Å; E390-K392 VanDerWaalsContact C-N 3.28Å; E390-K392 PolarHBondContact O-N 3.17Å |
| 393 | C | 89 | Confident | 87.9 | Confident | 63 Ų | 63 | 50.1 Ų | 50.1 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -78.6 | -50.9 | 176.2 | -167.8 | 0 | 0 | 0 | 0 | 111.1 | T389 E390 S391 T395 K396 Q397 | T389-C393 PolarHBondContact O-N 3.49Å; E390-C393 WeakPolarHBondContact O-CA 3.19Å; E390-C393 WeakPolarHBondContact O-CB 3.45Å; E390-C393 PolarHBondContact O-N 3.22Å; S391-C393 PolarHBondContact O-N 3.39Å; C393-T395 PolarHBondContact O-N 3.37Å; C393-K396 PolarHBondContact O-N 3.01Å; C393-Q397 WeakPolarHBondContact O-CG 3.35Å; C393-Q397 PolarHBondContact O-N 3.4Å |
| 394 | R | 89.8 | Confident | 87.5 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57 | -49.6 | -178.9 | -69.6 | 179 | 175.6 | -153 | 4.3 | 112.5 | E390 S391 K396 Q397 F398 | E390-R394 VanDerWaalsContact CD-NE 3.27Å; E390-R394 VanDerWaalsContact CD-NH2 3.33Å; E390-R394 HydrophobicContact CG-CG 4.13Å; E390-R394 WeakPolarHBondContact O-CG 3.27Å; E390-R394 PolarHBondContact O-N 3.2Å; E390-R394 IonicContact OE1-CZ 3.48Å; E390-R394 IonicContact OE1-NE 2.71Å; E390-R394 PolarHBondContact OE1-NE 3.41Å; E390-R394 IonicContact OE1-NH2 3.43Å; E390-R394 PolarHBondContact OE1-NH2 3.12Å; E390-R394 IonicContact OE2-CZ 3.63Å; E390-R394 IonicContact OE2-NE 3.76Å; E390-R394 IonicContact OE2-NH2 2.68Å; S391-R394 PolarHBondContact O-N 2.9Å; R394-K396 VanDerWaalsContact C-N 3.35Å; R394-K396 PolarHBondContact O-N 2.98Å; R394-Q397 PolarHBondContact O-N 3.15Å; R394-F398 WeakPolarHBondContact O-CB 3.49Å; R394-F398 PolarHBondContact O-N 3.45Å |
| 395 | T | 91.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | -179.5 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | Y187 F350 L387 S391 C393 F398 F399 | Y187-T395 PolarHBondContact OH-OG1 3.06Å; F350-T395 HydrophobicContact CB-CG2 4.14Å; F350-T395 HydrophobicContact CD1-CG2 3.68Å; F350-T395 HydrophobicContact CE1-CG2 4.29Å; F350-T395 HydrophobicContact CG-CG2 3.88Å; L387-T395 HydrophobicContact CD1-CG2 4.33Å; S391-T395 WeakPolarHBondContact O-CB 3.43Å; S391-T395 WeakPolarHBondContact O-CG2 3.46Å; S391-T395 PolarHBondContact O-N 3.26Å; S391-T395 PolarHBondContact O-OG1 3.38Å; C393-T395 PolarHBondContact O-N 3.37Å; T395-F398 PolarHBondContact O-N 3.04Å; T395-F399 VanDerWaalsContact O-CD2 3.26Å; T395-F399 WeakPolarHBondContact O-CD2 3.48Å; T395-F399 PolarHBondContact O-N 3.21Å; T395-F399 VanDerWaalsContact O-N 3.13Å |
| 396 | K | 89 | Confident | 87.3 | Confident | 94 Ų | 94 | 50 Ų | 50 | 41% | 0.409 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63 | -54 | 178.1 | -178.1 | 177.1 | 168.6 | -178.7 | 0 | 111.3 | Y187 C393 R394 F398 F399 E400 | Y187-K396 HydrophobicContact CE1-CB 4.29Å; C393-K396 PolarHBondContact O-N 3.01Å; R394-K396 VanDerWaalsContact C-N 3.35Å; R394-K396 PolarHBondContact O-N 2.98Å; K396-F398 VanDerWaalsContact C-N 3.25Å; K396-F398 PolarHBondContact O-N 2.99Å; K396-F399 PolarHBondContact O-N 3.25Å; K396-E400 WeakPolarHBondContact CE-OE1 3.44Å; K396-E400 WeakPolarHBondContact CE-OE2 3.2Å; K396-E400 HydrophobicContact CG-CG 4.43Å; K396-E400 IonicContact NZ-OE1 2.73Å; K396-E400 PolarHBondContact NZ-OE1 3.38Å; K396-E400 WeakPolarHBondContact O-CG 3.43Å; K396-E400 PolarHBondContact O-N 3.37Å |
| 397 | Q | 90.3 | Very high | 86.9 | Confident | 110 Ų | 110 | 49.8 Ų | 49.8 | 51% | 0.514 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.9 | -38 | 179 | -71.7 | 177.3 | -27.6 | 0 | 0 | 112.2 | C393 R394 E400 V401 | C393-Q397 WeakPolarHBondContact O-CG 3.35Å; C393-Q397 PolarHBondContact O-N 3.4Å; R394-Q397 PolarHBondContact O-N 3.15Å; Q397-E400 PolarHBondContact O-N 2.95Å; Q397-V401 WeakPolarHBondContact O-CB 3.45Å; Q397-V401 VanDerWaalsContact O-CG2 3.31Å; Q397-V401 WeakPolarHBondContact O-CG2 3.42Å; Q397-V401 PolarHBondContact O-N 2.85Å |
| 398 | F | 90.7 | Very high | 86.6 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 20% | 0.197 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61 | -48.6 | 177.5 | -179 | -85.8 | 0 | 0 | 0 | 112.4 | M1 W2 I351 R394 T395 K396 L402 | M1-F398 HydrophobicContact CB-CE2 4.01Å; M1-F398 HydrophobicContact CE-CE2 3.91Å; M1-F398 HydrophobicContact CE-CZ 4.04Å; M1-F398 HydrophobicContact CG-CE2 4.48Å; M1-F398 HydrophobicContact SD-CE2 4.09Å; W2-F398 AromaticContact CD1-CE1 3.66Å; W2-F398 AromaticContact CD1-CZ 3.45Å; W2-F398 VanDerWaalsContact CD1-CZ 3.45Å; W2-F398 AromaticContact NE1-CE1 3.8Å; W2-F398 AromaticContact NE1-CZ 3.9Å; I351-F398 HydrophobicContact CB-CE1 4.38Å; I351-F398 HydrophobicContact CD1-CD1 3.74Å; I351-F398 HydrophobicContact CD1-CD2 3.98Å; I351-F398 HydrophobicContact CD1-CE1 3.53Å; I351-F398 HydrophobicContact CD1-CE2 3.75Å; I351-F398 HydrophobicContact CD1-CG 3.95Å; I351-F398 HydrophobicContact CD1-CZ 3.49Å; I351-F398 VanDerWaalsContact CD1-CZ 3.49Å; I351-F398 HydrophobicContact CG1-CD1 3.99Å; I351-F398 HydrophobicContact CG1-CE1 3.74Å; I351-F398 HydrophobicContact CG1-CZ 4.15Å; I351-F398 HydrophobicContact CG2-CE1 3.67Å; I351-F398 HydrophobicContact CG2-CZ 3.9Å; R394-F398 WeakPolarHBondContact O-CB 3.49Å; R394-F398 PolarHBondContact O-N 3.45Å; T395-F398 PolarHBondContact O-N 3.04Å; K396-F398 VanDerWaalsContact C-N 3.25Å; K396-F398 PolarHBondContact O-N 2.99Å; F398-L402 HydrophobicContact CD1-CD2 4.49Å; F398-L402 HydrophobicContact CE1-CD2 4.01Å; F398-L402 WeakPolarHBondContact O-CB 3.33Å; F398-L402 PolarHBondContact O-N 2.85Å |
| 399 | F | 89.8 | Confident | 86.5 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.018 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.4 | -30.9 | 179.1 | -77.7 | -69.3 | 0 | 0 | 0 | 112.9 | F183 N184 F350 I351 T395 K396 L402 N403 | F183-F399 HydrophobicContact CB-CE1 4.45Å; F183-F399 AromaticContact CD1-CD1 3.54Å; F183-F399 HydrophobicContact CD1-CD1 3.54Å; F183-F399 AromaticContact CD1-CD2 3.88Å; F183-F399 HydrophobicContact CD1-CD2 3.88Å; F183-F399 AromaticContact CD1-CE1 3.44Å; F183-F399 HydrophobicContact CD1-CE1 3.44Å; F183-F399 VanDerWaalsContact CD1-CE1 3.44Å; F183-F399 AromaticContact CD1-CE2 3.81Å; F183-F399 HydrophobicContact CD1-CE2 3.81Å; F183-F399 AromaticContact CD1-CG 3.77Å; F183-F399 HydrophobicContact CD1-CG 3.77Å; F183-F399 AromaticContact CD1-CZ 3.58Å; F183-F399 HydrophobicContact CD1-CZ 3.58Å; F183-F399 HydrophobicContact CE1-CD1 4.17Å; F183-F399 AromaticContact CE1-CD2 3.64Å; F183-F399 HydrophobicContact CE1-CD2 3.64Å; F183-F399 AromaticContact CE1-CE1 3.98Å; F183-F399 HydrophobicContact CE1-CE1 3.98Å; F183-F399 AromaticContact CE1-CE2 3.44Å; F183-F399 HydrophobicContact CE1-CE2 3.44Å; F183-F399 VanDerWaalsContact CE1-CE2 3.44Å; F183-F399 HydrophobicContact CE1-CG 4.02Å; F183-F399 AromaticContact CE1-CZ 3.61Å; F183-F399 HydrophobicContact CE1-CZ 3.61Å; F183-F399 HydrophobicContact CG-CD1 4.42Å; F183-F399 HydrophobicContact CG-CE1 4.08Å; F183-F399 HydrophobicContact CG-CZ 4.33Å; F183-F399 HydrophobicContact CZ-CE2 4.28Å; F183-F399 HydrophobicContact CZ-CZ 4.37Å; N184-F399 HydrophobicContact CB-CB 4.12Å; F350-F399 HydrophobicContact CD1-CE2 4.13Å; F350-F399 AromaticContact CE1-CE2 3.88Å; F350-F399 HydrophobicContact CE1-CE2 3.88Å; I351-F399 HydrophobicContact CB-CZ 4.44Å; I351-F399 HydrophobicContact CG1-CE2 3.95Å; I351-F399 HydrophobicContact CG1-CZ 4.09Å; I351-F399 HydrophobicContact CG2-CZ 4.28Å; T395-F399 VanDerWaalsContact O-CD2 3.26Å; T395-F399 WeakPolarHBondContact O-CD2 3.48Å; T395-F399 PolarHBondContact O-N 3.21Å; T395-F399 VanDerWaalsContact O-N 3.13Å; K396-F399 PolarHBondContact O-N 3.25Å; F399-L402 HydrophobicContact CD1-CD2 4.43Å; F399-N403 VanDerWaalsContact O-CB 3.31Å; F399-N403 WeakPolarHBondContact O-CB 3.25Å; F399-N403 PolarHBondContact O-N 3.48Å |
| 400 | E | 85.7 | Confident | 86.5 | Confident | 81 Ų | 81 | 45.3 Ų | 45.3 | 38% | 0.379 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.3 | -48.4 | 171.4 | -73.6 | 176.2 | 144.6 | 0 | 0 | 111.9 | K396 Q397 L402 N403 F404 | K396-E400 WeakPolarHBondContact CE-OE1 3.44Å; K396-E400 WeakPolarHBondContact CE-OE2 3.2Å; K396-E400 HydrophobicContact CG-CG 4.43Å; K396-E400 IonicContact NZ-OE1 2.73Å; K396-E400 PolarHBondContact NZ-OE1 3.38Å; K396-E400 WeakPolarHBondContact O-CG 3.43Å; K396-E400 PolarHBondContact O-N 3.37Å; Q397-E400 PolarHBondContact O-N 2.95Å; E400-L402 VanDerWaalsContact C-N 3.35Å; E400-L402 PolarHBondContact O-N 2.67Å; E400-N403 PolarHBondContact O-N 3.12Å; E400-F404 PolarHBondContact O-N 2.84Å; E400-F404 VanDerWaalsContact O-N 3.17Å |
| 401 | V | 87.4 | Confident | 86.3 | Confident | 86 Ų | 86 | 41.2 Ų | 41.2 | 52% | 0.521 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 175.9 | 168.9 | 0 | 0 | 0 | 0 | 111.5 | Q397 F404 L405 | Q397-V401 WeakPolarHBondContact O-CB 3.45Å; Q397-V401 VanDerWaalsContact O-CG2 3.31Å; Q397-V401 WeakPolarHBondContact O-CG2 3.42Å; Q397-V401 PolarHBondContact O-N 2.85Å; V401-F404 PolarHBondContact O-N 3.47Å; V401-L405 HydrophobicContact CG1-CD1 4.01Å; V401-L405 HydrophobicContact CG1-CG 4.46Å; V401-L405 WeakPolarHBondContact O-CG 3.33Å; V401-L405 PolarHBondContact O-N 3.04Å |
| 402 | L | 87 | Confident | 86 | Confident | 15 Ų | 15 | 41.2 Ų | 41.2 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.1 | -39.2 | -179.1 | -177.7 | 53.5 | 0 | 0 | 0 | 112.4 | W2 P180 F398 F399 E400 L405 S406 | W2-L402 HydrophobicContact CB-CD1 3.48Å; W2-L402 VanDerWaalsContact CB-CD1 3.48Å; W2-L402 HydrophobicContact CB-CD2 4.06Å; W2-L402 HydrophobicContact CB-CG 4.42Å; W2-L402 HydrophobicContact CD2-CD1 4.24Å; W2-L402 HydrophobicContact CD2-CD2 3.72Å; W2-L402 HydrophobicContact CG-CD1 3.75Å; W2-L402 HydrophobicContact CG-CD2 3.42Å; W2-L402 VanDerWaalsContact CG-CD2 3.42Å; W2-L402 HydrophobicContact CG-CG 4.24Å; P180-L402 HydrophobicContact CB-CD1 4.45Å; P180-L402 HydrophobicContact CB-CD2 3.51Å; P180-L402 HydrophobicContact CB-CG 3.55Å; P180-L402 HydrophobicContact CG-CD2 3.81Å; P180-L402 HydrophobicContact CG-CG 4.07Å; F398-L402 HydrophobicContact CD1-CD2 4.49Å; F398-L402 HydrophobicContact CE1-CD2 4.01Å; F398-L402 WeakPolarHBondContact O-CB 3.33Å; F398-L402 PolarHBondContact O-N 2.85Å; F399-L402 HydrophobicContact CD1-CD2 4.43Å; E400-L402 VanDerWaalsContact C-N 3.35Å; E400-L402 PolarHBondContact O-N 2.67Å; L402-L405 PolarHBondContact O-N 3.15Å; L402-S406 WeakPolarHBondContact O-CB 3.28Å; L402-S406 PolarHBondContact O-N 2.98Å; L402-S406 PolarHBondContact O-OG 3.33Å |
| 403 | N | 84.2 | Confident | 85.7 | Confident | 22 Ų | 22 | 39.2 Ų | 39.2 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.1 | -50.7 | 171.1 | -173.1 | 118.2 | 0 | 0 | 0 | 110.9 | N184 F399 E400 L405 S406 E407 | N184-N403 HydrophobicContact CB-CB 4.2Å; N184-N403 VanDerWaalsContact ND2-CB 3.35Å; N184-N403 WeakPolarHBondContact ND2-CB 3.28Å; N184-N403 PolarHBondContact ND2-OD1 3.11Å; F399-N403 VanDerWaalsContact O-CB 3.31Å; F399-N403 WeakPolarHBondContact O-CB 3.25Å; F399-N403 PolarHBondContact O-N 3.48Å; E400-N403 PolarHBondContact O-N 3.12Å; N403-L405 VanDerWaalsContact C-N 3.34Å; N403-L405 PolarHBondContact O-N 3.4Å; N403-S406 PolarHBondContact O-N 3.18Å; N403-E407 WeakPolarHBondContact O-CB 3.43Å; N403-E407 PolarHBondContact O-N 3.44Å |
| 404 | F | 81.1 | Confident | 85.6 | Confident | 54 Ų | 54 | 36.2 Ų | 36.2 | 24% | 0.237 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -41.7 | 179.5 | 172.5 | -97.9 | 0 | 0 | 0 | 112.3 | V64 E80 E400 V401 N408 | V64-F404 HydrophobicContact CG2-CE1 4.04Å; V64-F404 HydrophobicContact CG2-CZ 4.35Å; E80-F404 WeakPolarHBondContact OE1-CD2 3.14Å; E80-F404 VanDerWaalsContact OE1-CE2 3.3Å; E80-F404 WeakPolarHBondContact OE1-CE2 3.34Å; E400-F404 PolarHBondContact O-N 2.84Å; E400-F404 VanDerWaalsContact O-N 3.17Å; V401-F404 PolarHBondContact O-N 3.47Å; F404-N408 WeakPolarHBondContact CD2-ND2 3.38Å; F404-N408 WeakPolarHBondContact CE2-ND2 3.4Å; F404-N408 WeakPolarHBondContact CZ-ND2 3.2Å; F404-N408 WeakPolarHBondContact O-CB 3.35Å; F404-N408 PolarHBondContact O-N 2.96Å; F404-N408 PolarHBondContact O-ND2 3.08Å |
| 405 | L | 84.4 | Confident | 85.5 | Confident | 68 Ų | 68 | 32 Ų | 32 | 36% | 0.356 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -69.3 | -44.8 | 176.9 | -70.1 | 174.7 | 0 | 0 | 0 | 112.5 | V401 L402 N403 F409 | V401-L405 HydrophobicContact CG1-CD1 4.01Å; V401-L405 HydrophobicContact CG1-CG 4.46Å; V401-L405 WeakPolarHBondContact O-CG 3.33Å; V401-L405 PolarHBondContact O-N 3.04Å; L402-L405 PolarHBondContact O-N 3.15Å; N403-L405 VanDerWaalsContact C-N 3.34Å; N403-L405 PolarHBondContact O-N 3.4Å; L405-F409 WeakPolarHBondContact O-CB 3.39Å; L405-F409 PolarHBondContact O-N 2.86Å |
| 406 | S | 84 | Confident | 85.2 | Confident | 9 Ų | 9 | 32 Ų | 32 | 6% | 0.063 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 178.1 | -69.4 | 0 | 0 | 0 | 0 | 112 | L177 L402 N403 F409 I410 | L177-S406 WeakPolarHBondContact O-CB 3.2Å; L177-S406 PolarHBondContact O-OG 3.12Å; L402-S406 WeakPolarHBondContact O-CB 3.28Å; L402-S406 PolarHBondContact O-N 2.98Å; L402-S406 PolarHBondContact O-OG 3.33Å; N403-S406 PolarHBondContact O-N 3.18Å; S406-F409 PolarHBondContact O-N 2.88Å; S406-I410 WeakPolarHBondContact O-CB 3.42Å; S406-I410 VanDerWaalsContact O-CD1 3.28Å; S406-I410 WeakPolarHBondContact O-CD1 3.4Å; S406-I410 WeakPolarHBondContact O-CG1 3.49Å; S406-I410 PolarHBondContact O-N 3.1Å |
| 407 | E | 77.8 | Confident | 85 | Confident | 11 Ų | 11 | 27.5 Ų | 27.5 | 5% | 0.051 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.6 | -47.5 | 179.3 | -174.4 | 174.8 | -170.6 | 0 | 0 | 111.5 | T81 V249 T250 N403 F409 I410 F411 | T81-E407 HydrophobicContact CG2-CG 3.84Å; T81-E407 VanDerWaalsContact CG2-OE1 3.29Å; T81-E407 WeakPolarHBondContact CG2-OE1 3.43Å; V249-E407 HydrophobicContact CG1-CG 4.07Å; V249-E407 WeakPolarHBondContact CG1-OE1 3.07Å; V249-E407 VanDerWaalsContact CG1-OE2 3.24Å; V249-E407 WeakPolarHBondContact CG1-OE2 3.23Å; T250-E407 PolarHBondContact OG1-OE1 2.95Å; N403-E407 WeakPolarHBondContact O-CB 3.43Å; N403-E407 PolarHBondContact O-N 3.44Å; E407-F409 PolarHBondContact O-N 3.3Å; E407-I410 PolarHBondContact O-N 3.47Å; E407-F411 HydrophobicContact CG-CD2 3.98Å; E407-F411 HydrophobicContact CG-CE2 3.61Å; E407-F411 WeakPolarHBondContact O-CD2 3.18Å; E407-F411 PolarHBondContact O-N 3.45Å |
| 408 | N | 79.4 | Confident | 84.7 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.011 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.8 | -41.9 | 177.8 | -75.6 | -54.2 | 0 | 0 | 0 | 112.5 | M60 T84 F404 T412 | M60-N408 WeakPolarHBondContact CE-O 3.17Å; M60-N408 HydrophobicContact SD-CB 4.04Å; T84-N408 HydrophobicContact CG2-CB 4.03Å; T84-N408 WeakPolarHBondContact CG2-OD1 3.45Å; F404-N408 WeakPolarHBondContact CD2-ND2 3.38Å; F404-N408 WeakPolarHBondContact CE2-ND2 3.4Å; F404-N408 WeakPolarHBondContact CZ-ND2 3.2Å; F404-N408 WeakPolarHBondContact O-CB 3.35Å; F404-N408 PolarHBondContact O-N 2.96Å; F404-N408 PolarHBondContact O-ND2 3.08Å; N408-T412 PolarHBondContact O-N 3.43Å; N408-T412 PolarHBondContact O-OG1 3.01Å |
| 409 | F | 85.2 | Confident | 84.3 | Confident | 48 Ų | 48 | 23.7 Ų | 23.7 | 21% | 0.211 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 177.1 | -176.1 | -87.8 | 0 | 0 | 0 | 111.6 | Y56 M60 L177 L405 S406 E407 F411 T412 Y413 | Y56-F409 HydrophobicContact CD1-CE2 4.45Å; Y56-F409 HydrophobicContact CG-CE2 4.13Å; Y56-F409 HydrophobicContact CG-CZ 4.47Å; M60-F409 HydrophobicContact CG-CD2 4.33Å; M60-F409 HydrophobicContact SD-CB 4.18Å; L177-F409 HydrophobicContact CD1-CD1 3.71Å; L177-F409 HydrophobicContact CD1-CE1 3.85Å; L177-F409 HydrophobicContact CD2-CD1 3.68Å; L177-F409 HydrophobicContact CD2-CE1 4.11Å; L177-F409 HydrophobicContact CD2-CG 4.45Å; L177-F409 HydrophobicContact CG-CD1 4.38Å; L405-F409 WeakPolarHBondContact O-CB 3.39Å; L405-F409 PolarHBondContact O-N 2.86Å; S406-F409 PolarHBondContact O-N 2.88Å; E407-F409 PolarHBondContact O-N 3.3Å; F409-F411 PolarHBondContact O-N 2.9Å; F409-T412 PolarHBondContact O-N 2.93Å; F409-Y413 AromaticContact CE1-CD1 3.78Å; F409-Y413 HydrophobicContact CE1-CD1 3.78Å; F409-Y413 HydrophobicContact CE1-CE1 4.35Å; F409-Y413 HydrophobicContact CE1-CG 4.2Å; F409-Y413 WeakPolarHBondContact O-CB 3.37Å; F409-Y413 PolarHBondContact O-N 3.37Å |
| 410 | I | 83.4 | Confident | 83.6 | Confident | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -55.1 | -50.8 | 179.2 | -76.1 | 163.2 | 0 | 0 | 0 | 111.7 | F173 L177 I181 S406 E407 Y413 I414 A503 | F173-I410 HydrophobicContact CD2-CD1 4.34Å; F173-I410 HydrophobicContact CD2-CG1 4.29Å; F173-I410 HydrophobicContact CE2-CD1 4.06Å; F173-I410 HydrophobicContact CE2-CG1 4.39Å; L177-I410 HydrophobicContact CB-CD1 3.94Å; L177-I410 HydrophobicContact CB-CG1 3.98Å; L177-I410 HydrophobicContact CD1-CG1 3.87Å; L177-I410 HydrophobicContact CG-CG1 4.45Å; I181-I410 HydrophobicContact CD1-CD1 3.56Å; S406-I410 WeakPolarHBondContact O-CB 3.42Å; S406-I410 VanDerWaalsContact O-CD1 3.28Å; S406-I410 WeakPolarHBondContact O-CD1 3.4Å; S406-I410 WeakPolarHBondContact O-CG1 3.49Å; S406-I410 PolarHBondContact O-N 3.1Å; E407-I410 PolarHBondContact O-N 3.47Å; I410-Y413 PolarHBondContact O-N 3.13Å; I410-I414 HydrophobicContact CG2-CD1 3.98Å; I410-I414 WeakPolarHBondContact O-CG1 3.18Å; I410-I414 PolarHBondContact O-N 3.3Å; I410-A503 HydrophobicContact CG2-CB 3.39Å |
| 411 | F | 83.2 | Confident | 82.8 | Confident | 3 Ų | 3 | 20 Ų | 20 | 1% | 0.013 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -68.5 | -37.3 | -178.2 | -72.2 | -59.8 | 0 | 0 | 0 | 112.8 | T81 T84 L85 T250 E407 F409 G415 V533 | T81-F411 VanDerWaalsContact CB-CD2 3.47Å; T81-F411 HydrophobicContact CG2-CD2 3.53Å; T81-F411 HydrophobicContact CG2-CE2 3.46Å; T81-F411 VanDerWaalsContact CG2-CE2 3.46Å; T84-F411 WeakPolarHBondContact OG1-CB 3.47Å; L85-F411 HydrophobicContact CB-CB 4.31Å; L85-F411 WeakPolarHBondContact CD1-O 3.46Å; T250-F411 WeakPolarHBondContact OG1-CE2 3.47Å; T250-F411 WeakPolarHBondContact OG1-CZ 3.42Å; E407-F411 HydrophobicContact CG-CD2 3.98Å; E407-F411 HydrophobicContact CG-CE2 3.61Å; E407-F411 WeakPolarHBondContact O-CD2 3.18Å; E407-F411 PolarHBondContact O-N 3.45Å; F409-F411 PolarHBondContact O-N 2.9Å; F411-G415 PolarHBondContact O-N 3.44Å; F411-G415 VanDerWaalsContact O-N 3.1Å; F411-V533 HydrophobicContact CD1-CG1 4.02Å; F411-V533 HydrophobicContact CD1-CG2 4.15Å; F411-V533 HydrophobicContact CE1-CB 4.45Å; F411-V533 HydrophobicContact CE1-CG1 3.99Å; F411-V533 HydrophobicContact CE1-CG2 3.56Å; F411-V533 HydrophobicContact CZ-CG2 4.35Å |
| 412 | T | 83.2 | Confident | 81.7 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.7 | -40.9 | 171.1 | -72.8 | 0 | 0 | 0 | 0 | 112.2 | Y56 L59 M60 T84 G88 N408 F409 G415 V416 | Y56-T412 HydrophobicContact CD1-CG2 4.45Å; L59-T412 HydrophobicContact CD2-CG2 3.35Å; L59-T412 HydrophobicContact CG-CG2 3.8Å; M60-T412 VanDerWaalsContact CE-CB 3.48Å; M60-T412 HydrophobicContact CE-CG2 3.84Å; M60-T412 WeakPolarHBondContact CE-OG1 3.28Å; T84-T412 WeakPolarHBondContact CB-OG1 3.36Å; T84-T412 WeakPolarHBondContact O-CA 3.32Å; T84-T412 PolarHBondContact O-OG1 2.81Å; G88-T412 WeakPolarHBondContact CA-O 3.35Å; N408-T412 PolarHBondContact O-N 3.43Å; N408-T412 PolarHBondContact O-OG1 3.01Å; F409-T412 PolarHBondContact O-N 2.93Å; T412-G415 PolarHBondContact O-N 2.93Å; T412-V416 PolarHBondContact O-N 3.1Å |
| 413 | Y | 85 | Confident | 80.7 | Confident | 13 Ų | 13 | 22.4 Ų | 22.4 | 5% | 0.051 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.5 | -42.8 | -178.8 | -165.9 | -167.3 | 0 | 0 | 0 | 112 | Y56 T167 F168 D169 L177 F409 I410 G415 V416 S417 | Y56-Y413 HydrophobicContact CE1-CD2 4.04Å; Y56-Y413 AromaticContact CZ-CD2 3.83Å; Y56-Y413 AromaticContact CZ-CE2 4Å; Y56-Y413 WeakPolarHBondContact OH-CD2 3.49Å; Y56-Y413 WeakPolarHBondContact OH-CE2 3.42Å; T167-Y413 VanDerWaalsContact O-CE2 3.26Å; T167-Y413 WeakPolarHBondContact O-CE2 3.19Å; T167-Y413 PolarHBondContact O-OH 3.4Å; F168-Y413 HydrophobicContact CB-CE2 4.38Å; F168-Y413 AromaticContact CD2-CD1 3.52Å; F168-Y413 HydrophobicContact CD2-CD1 3.52Å; F168-Y413 HydrophobicContact CD2-CD2 4.29Å; F168-Y413 AromaticContact CD2-CE1 3.93Å; F168-Y413 HydrophobicContact CD2-CE1 3.93Å; F168-Y413 AromaticContact CD2-CG 3.73Å; F168-Y413 HydrophobicContact CD2-CG 3.73Å; F168-Y413 AromaticContact CE2-CD1 3.87Å; F168-Y413 HydrophobicContact CE2-CD1 3.87Å; F168-Y413 HydrophobicContact CE2-CE1 4.45Å; F168-Y413 HydrophobicContact CE2-CG 4.33Å; F168-Y413 HydrophobicContact CG-CD1 4.29Å; F168-Y413 HydrophobicContact CG-CE1 4.26Å; D169-Y413 PolarHBondContact N-OH 2.84Å; L177-Y413 HydrophobicContact CD1-CD1 4.5Å; F409-Y413 AromaticContact CE1-CD1 3.78Å; F409-Y413 HydrophobicContact CE1-CD1 3.78Å; F409-Y413 HydrophobicContact CE1-CE1 4.35Å; F409-Y413 HydrophobicContact CE1-CG 4.2Å; F409-Y413 WeakPolarHBondContact O-CB 3.37Å; F409-Y413 PolarHBondContact O-N 3.37Å; I410-Y413 PolarHBondContact O-N 3.13Å; Y413-G415 VanDerWaalsContact C-N 3.33Å; Y413-G415 PolarHBondContact O-N 2.75Å; Y413-V416 PolarHBondContact O-N 3.25Å; Y413-S417 WeakPolarHBondContact O-CB 3.41Å; Y413-S417 PolarHBondContact O-N 2.95Å |
| 414 | I | 85.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 172.3 | -67.5 | 165.6 | 0 | 0 | 0 | 111 | L85 F168 I410 V416 S417 L418 A503 F506 V529 | L85-I414 HydrophobicContact CD1-CG2 4.34Å; F168-I414 HydrophobicContact CD2-CG1 4.08Å; F168-I414 HydrophobicContact CE2-CG1 3.78Å; I410-I414 HydrophobicContact CG2-CD1 3.98Å; I410-I414 WeakPolarHBondContact O-CG1 3.18Å; I410-I414 PolarHBondContact O-N 3.3Å; I414-V416 PolarHBondContact O-N 2.89Å; I414-S417 PolarHBondContact O-N 2.94Å; I414-L418 PolarHBondContact O-N 3.42Å; I414-A503 HydrophobicContact CD1-CB 3.76Å; I414-F506 HydrophobicContact CG1-CD1 4.02Å; I414-F506 HydrophobicContact CG1-CE1 4.34Å; I414-F506 HydrophobicContact CG1-CG 4.23Å; I414-F506 HydrophobicContact CG2-CD2 3.99Å; I414-F506 HydrophobicContact CG2-CE2 4.02Å; I414-F506 HydrophobicContact CG2-CG 4.32Å; I414-F506 HydrophobicContact CG2-CZ 4.38Å; I414-V529 HydrophobicContact CG2-CG1 4.17Å |
| 415 | G | 87.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.7 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | G88 L89 F411 T412 Y413 | G88-G415 CarbonylContact O-C 3.51Å; L89-G415 WeakPolarHBondContact CA-O 3.45Å; F411-G415 PolarHBondContact O-N 3.44Å; F411-G415 VanDerWaalsContact O-N 3.1Å; T412-G415 PolarHBondContact O-N 2.93Å; Y413-G415 VanDerWaalsContact C-N 3.33Å; Y413-G415 PolarHBondContact O-N 2.75Å |
| 416 | V | 85.1 | Confident | 80.5 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65 | -50.2 | 175.5 | 172.8 | 0 | 0 | 0 | 0 | 110.5 | Y56 L59 G88 V91 I95 A166 T412 Y413 I414 L418 F419 T420 | Y56-V416 HydrophobicContact CE1-CB 4.33Å; Y56-V416 HydrophobicContact CE1-CG2 4.04Å; L59-V416 HydrophobicContact CD2-CG2 4.45Å; G88-V416 WeakPolarHBondContact O-CA 3.28Å; G88-V416 WeakPolarHBondContact O-CG2 3.35Å; G88-V416 PolarHBondContact O-N 2.83Å; V91-V416 HydrophobicContact CB-CG2 4.39Å; V91-V416 HydrophobicContact CG1-CG2 4.23Å; I95-V416 HydrophobicContact CD1-CG1 3.96Å; A166-V416 HydrophobicContact CB-CG1 4.31Å; T412-V416 PolarHBondContact O-N 3.1Å; Y413-V416 PolarHBondContact O-N 3.25Å; I414-V416 PolarHBondContact O-N 2.89Å; V416-L418 PolarHBondContact O-N 2.97Å; V416-L418 VanDerWaalsContact O-N 3.12Å; V416-F419 PolarHBondContact O-N 3.16Å; V416-F419 VanDerWaalsContact O-N 3.13Å; V416-T420 PolarHBondContact O-N 2.89Å; V416-T420 VanDerWaalsContact O-N 3.15Å; V416-T420 PolarHBondContact O-OG1 3.37Å |
| 417 | S | 84.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -61.3 | -25.2 | -173.2 | -169.6 | 0 | 0 | 0 | 0 | 114.6 | F168 Y413 I414 F419 S421 | F168-S417 WeakPolarHBondContact CB-OG 3.42Å; F168-S417 PolarHBondContact N-OG 2.98Å; F168-S417 VanDerWaalsContact N-OG 3.08Å; Y413-S417 WeakPolarHBondContact O-CB 3.41Å; Y413-S417 PolarHBondContact O-N 2.95Å; I414-S417 PolarHBondContact O-N 2.94Å; S417-F419 PolarHBondContact O-N 3.07Å; S417-S421 VanDerWaalsContact O-CB 3.24Å; S417-S421 WeakPolarHBondContact O-CB 3.46Å; S417-S421 PolarHBondContact O-N 2.88Å; S417-S421 PolarHBondContact O-OG 3.07Å |
| 418 | L | 84.6 | Confident | 81.3 | Confident | 20 Ų | 20 | 31.7 Ų | 31.7 | 11% | 0.105 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.4 | -45.3 | 175 | -175.8 | 83.5 | 0 | 0 | 0 | 112 | L89 I414 V416 H424 I530 | L89-L418 HydrophobicContact CD2-CB 4.24Å; L89-L418 HydrophobicContact CD2-CD2 3.56Å; I414-L418 PolarHBondContact O-N 3.42Å; V416-L418 PolarHBondContact O-N 2.97Å; V416-L418 VanDerWaalsContact O-N 3.12Å; L418-H424 PolarHBondContact O-CD2 3.39Å; L418-H424 PolarHBondContact O-NE2 2.89Å; L418-I530 HydrophobicContact CB-CD1 4.32Å; L418-I530 HydrophobicContact CD1-CD1 3.75Å; L418-I530 HydrophobicContact CD2-CD1 3.65Å; L418-I530 HydrophobicContact CG-CD1 4.1Å |
| 419 | F | 82.2 | Confident | 81.9 | Confident | 56 Ų | 56 | 39.4 Ų | 39.4 | 25% | 0.246 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -85.9 | -34.6 | -178.3 | -73 | -70 | 0 | 0 | 0 | 111.4 | L89 G92 L93 K96 V416 S417 | L89-F419 HydrophobicContact CB-CE2 4.15Å; L89-F419 HydrophobicContact CD2-CD2 4.28Å; L89-F419 HydrophobicContact CD2-CE2 3.81Å; L89-F419 VanDerWaalsContact O-CD2 3.24Å; L89-F419 WeakPolarHBondContact O-CD2 3.29Å; L89-F419 VanDerWaalsContact O-CE2 3.3Å; L89-F419 WeakPolarHBondContact O-CE2 3.39Å; G92-F419 VanDerWaalsContact O-CB 3.24Å; G92-F419 WeakPolarHBondContact O-CB 3.28Å; L93-F419 HydrophobicContact CB-CD1 4.37Å; L93-F419 HydrophobicContact CB-CD2 3.98Å; L93-F419 HydrophobicContact CB-CE1 4.46Å; L93-F419 HydrophobicContact CB-CE2 4.07Å; L93-F419 HydrophobicContact CB-CG 4.13Å; L93-F419 HydrophobicContact CB-CZ 4.31Å; L93-F419 HydrophobicContact CD1-CD1 4.05Å; L93-F419 HydrophobicContact CD1-CE1 3.98Å; L93-F419 HydrophobicContact CD1-CZ 4.46Å; K96-F419 HydrophobicContact CB-CB 4.22Å; K96-F419 HydrophobicContact CD-CB 4.13Å; K96-F419 HydrophobicContact CD-CD1 4.09Å; K96-F419 WeakPolarHBondContact CD-O 3.25Å; K96-F419 WeakPolarHBondContact CE-O 3.4Å; K96-F419 WeakPolarHBondContact CG-O 3.38Å; K96-F419 PolarHBondContact NZ-O 3.02Å; V416-F419 PolarHBondContact O-N 3.16Å; V416-F419 VanDerWaalsContact O-N 3.13Å; S417-F419 PolarHBondContact O-N 3.07Å |
| 420 | T | 75.5 | Confident | 82.2 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.4 | -39.5 | 179.4 | -46.7 | 0 | 0 | 0 | 0 | 113 | E163 A166 T167 V416 Q422 | E163-T420 VanDerWaalsContact CA-CG2 3.41Å; E163-T420 HydrophobicContact CB-CG2 3.73Å; E163-T420 HydrophobicContact CG-CG2 4.16Å; E163-T420 WeakPolarHBondContact O-CG2 3.23Å; A166-T420 HydrophobicContact CB-CG2 4.08Å; T167-T420 HydrophobicContact CG2-CG2 4.19Å; V416-T420 PolarHBondContact O-N 2.89Å; V416-T420 VanDerWaalsContact O-N 3.15Å; V416-T420 PolarHBondContact O-OG1 3.37Å; T420-Q422 PolarHBondContact O-N 2.89Å |
| 421 | S | 69.3 | Low | 82.6 | Confident | 7 Ų | 7 | 37.9 Ų | 37.9 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | trans | -72.2 | 121.2 | -173.7 | 70.7 | 0 | 0 | 0 | 0 | 113 | S417 A423 H424 Y522 | S417-S421 VanDerWaalsContact O-CB 3.24Å; S417-S421 WeakPolarHBondContact O-CB 3.46Å; S417-S421 PolarHBondContact O-N 2.88Å; S417-S421 PolarHBondContact O-OG 3.07Å; S421-A423 PolarHBondContact O-N 3.31Å; S421-H424 PolarHBondContact O-CD2 3.42Å; S421-H424 PolarHBondContact OG-CD2 3.3Å; S421-H424 PolarHBondContact OG-NE2 3.49Å; S421-H424 VanDerWaalsContact OG-NE2 3.13Å; S421-Y522 WeakPolarHBondContact OG-CE1 3.39Å; S421-Y522 PolarHBondContact OG-OH 3.3Å | ||
| 422 | Q | 64 | Low | 83 | Confident | 129 Ų | 129 | 42.1 Ų | 42.1 | 60% | 0.603 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -4.3 | 177.7 | -56.9 | -175.3 | 5.3 | 0 | 0 | 113 | E163 T420 H424 R519 | E163-Q422 PolarHBondContact OE2-NE2 2.75Å; T420-Q422 PolarHBondContact O-N 2.89Å; Q422-H424 VanDerWaalsContact C-N 3.28Å; Q422-H424 PolarHBondContact O-N 2.89Å; Q422-R519 PolarHBondContact O-NH2 3.39Å |
| 423 | A | 65.3 | Low | 83.4 | Confident | 21 Ų | 21 | 42.4 Ų | 42.4 | 17% | 0.174 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -13.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S421 L425 T513 R519 Y522 | S421-A423 PolarHBondContact O-N 3.31Å; A423-L425 PolarHBondContact O-N 3.25Å; A423-T513 HydrophobicContact CB-CG2 4.32Å; A423-R519 WeakPolarHBondContact O-CB 3.37Å; A423-R519 WeakPolarHBondContact O-CG 3.21Å; A423-R519 PolarHBondContact O-NE 2.89Å; A423-R519 PolarHBondContact O-NH2 3.46Å; A423-Y522 HydrophobicContact CB-CD1 4.07Å; A423-Y522 HydrophobicContact CB-CE1 4Å |
| 424 | H | 76.6 | Confident | 83.7 | Confident | 28 Ų | 28 | 41.8 Ų | 41.8 | 13% | 0.13 | 20% | 0.201 | C | C | . | . | trans | -66.1 | 133.1 | -170 | -75 | -57.6 | 0 | 0 | 0 | 115 | L418 S421 Q422 F426 Y522 S523 | L418-H424 PolarHBondContact O-CD2 3.39Å; L418-H424 PolarHBondContact O-NE2 2.89Å; S421-H424 PolarHBondContact O-CD2 3.42Å; S421-H424 PolarHBondContact OG-CD2 3.3Å; S421-H424 PolarHBondContact OG-NE2 3.49Å; S421-H424 VanDerWaalsContact OG-NE2 3.13Å; Q422-H424 VanDerWaalsContact C-N 3.28Å; Q422-H424 PolarHBondContact O-N 2.89Å; H424-F426 HydrophobicContact CB-CE2 3.81Å; H424-F426 HydrophobicContact CB-CZ 3.81Å; H424-F426 AromaticContact CG-CZ 3.83Å; H424-Y522 AromaticContact CE1-CD1 3.74Å; H424-Y522 AromaticContact CE1-CE1 3.15Å; H424-Y522 WeakPolarHBondContact CE1-CE1 3.36Å; H424-Y522 AromaticContact CE1-CZ 3.6Å; H424-Y522 AromaticContact ND1-CD1 3.84Å; H424-Y522 AromaticContact ND1-CE1 3.6Å; H424-Y522 AromaticContact NE2-CE1 3.59Å; H424-Y522 AromaticContact NE2-CZ 3.89Å; H424-S523 VanDerWaalsContact CA-OG 3.29Å; H424-S523 WeakPolarHBondContact CA-OG 3.43Å; H424-S523 WeakPolarHBondContact ND1-CA 3.3Å; H424-S523 PolarHBondContact ND1-OG 2.91Å | ||
| 425 | L | 84.2 | Confident | 83.8 | Confident | 62 Ų | 62 | 44.9 Ų | 44.9 | 33% | 0.325 | 21% | 0.214 | S | C | . | . | trans | -138.3 | 105 | 171.1 | -68.8 | -179.4 | 0 | 0 | 0 | 107.7 | A423 R519 I520 S523 | A423-L425 PolarHBondContact O-N 3.25Å; L425-R519 HydrophobicContact CB-CB 4.35Å; L425-R519 HydrophobicContact CD1-CB 3.85Å; L425-R519 HydrophobicContact CG-CB 4.12Å; L425-I520 HydrophobicContact CB-CG1 3.94Å; L425-I520 WeakPolarHBondContact O-CA 3.47Å; L425-S523 PolarHBondContact N-OG 3.47Å; L425-S523 WeakPolarHBondContact O-CB 3.25Å; L425-S523 PolarHBondContact O-OG 3.44Å | ||
| 426 | F | 85 | Confident | 83.8 | Confident | 118 Ų | 118 | 48.6 Ų | 48.6 | 52% | 0.518 | 24% | 0.236 | S | C | . | . | trans | -89.6 | 125.1 | -176.2 | -61 | -71.3 | 0 | 0 | 0 | 111.3 | H424 I431 L527 | H424-F426 HydrophobicContact CB-CE2 3.81Å; H424-F426 HydrophobicContact CB-CZ 3.81Å; H424-F426 AromaticContact CG-CZ 3.83Å; F426-I431 HydrophobicContact CB-CD1 4.43Å; F426-I431 HydrophobicContact CD1-CD1 4.39Å; F426-L527 HydrophobicContact CD1-CD1 3.62Å; F426-L527 HydrophobicContact CD1-CG 4.39Å; F426-L527 HydrophobicContact CE1-CD1 3.72Å; F426-L527 HydrophobicContact CE1-CD2 4.39Å; F426-L527 HydrophobicContact CE1-CG 3.99Å | ||
| 427 | N | 88.5 | Confident | 84.1 | Confident | 31 Ų | 31 | 48.6 Ų | 48.6 | 17% | 0.166 | 24% | 0.236 | C | C | . | . | trans | -119.3 | 109.8 | 172.2 | -174.8 | -61.2 | 0 | 0 | 0 | 109.5 | L229 W429 F430 I431 I520 | L229-N427 WeakPolarHBondContact CD2-ND2 3.39Å; N427-W429 VanDerWaalsContact C-N 3.32Å; N427-W429 PolarHBondContact O-N 3.42Å; N427-W429 PolarHBondContact OD1-N 3.32Å; N427-F430 HydrophobicContact CB-CB 3.97Å; N427-F430 PolarHBondContact O-N 2.87Å; N427-F430 PolarHBondContact OD1-N 2.91Å; N427-I431 WeakPolarHBondContact O-CD1 3.28Å; N427-I431 VanDerWaalsContact O-CG1 3.26Å; N427-I431 WeakPolarHBondContact O-CG1 3.34Å; N427-I431 PolarHBondContact O-N 2.73Å; N427-I520 HydrophobicContact CB-CG2 3.95Å | ||
| 428 | I | 90.7 | Very high | 84.2 | Confident | 121 Ų | 121 | 49.1 Ų | 49.1 | 62% | 0.621 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -58.8 | -43.1 | -172.4 | -61.9 | 172.7 | 0 | 0 | 0 | 111.5 | I431 I432 | I428-I431 PolarHBondContact O-N 3Å; I428-I432 HydrophobicContact CG2-CD1 3.75Å; I428-I432 HydrophobicContact CG2-CG1 4.42Å; I428-I432 WeakPolarHBondContact O-CG1 3.39Å; I428-I432 PolarHBondContact O-N 2.86Å |
| 429 | W | 91.4 | Very high | 84.1 | Confident | 163 Ų | 163 | 51.8 Ų | 51.8 | 62% | 0.617 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -67.1 | -40.6 | -179.5 | -58.8 | 117.7 | 0 | 0 | 0 | 112.5 | V227 N427 I431 G433 | V227-W429 HydrophobicContact CB-CB 4.45Å; V227-W429 HydrophobicContact CG1-CB 3.82Å; V227-W429 HydrophobicContact CG1-CG 3.87Å; V227-W429 HydrophobicContact CG2-CB 3.75Å; V227-W429 HydrophobicContact CG2-CG 4.11Å; N427-W429 VanDerWaalsContact C-N 3.32Å; N427-W429 PolarHBondContact O-N 3.42Å; N427-W429 PolarHBondContact OD1-N 3.32Å; W429-I431 VanDerWaalsContact C-N 3.33Å; W429-G433 PolarHBondContact O-N 3.4Å |
| 430 | F | 92.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 174.3 | -164.6 | -82.1 | 0 | 0 | 0 | 111.3 | M220 T224 L229 F231 F239 N427 A434 I520 M521 T524 | M220-F430 HydrophobicContact CE-CD1 3.67Å; M220-F430 HydrophobicContact CE-CD2 3.58Å; M220-F430 HydrophobicContact CE-CE1 3.56Å; M220-F430 HydrophobicContact CE-CE2 3.46Å; M220-F430 VanDerWaalsContact CE-CE2 3.46Å; M220-F430 HydrophobicContact CE-CG 3.68Å; M220-F430 HydrophobicContact CE-CZ 3.45Å; M220-F430 VanDerWaalsContact CE-CZ 3.45Å; T224-F430 HydrophobicContact CG2-CD2 3.78Å; T224-F430 HydrophobicContact CG2-CE2 3.81Å; L229-F430 HydrophobicContact CD1-CB 4.37Å; L229-F430 HydrophobicContact CD1-CD2 4.41Å; F231-F430 HydrophobicContact CD1-CE2 4.04Å; F231-F430 HydrophobicContact CD2-CD2 4.48Å; F231-F430 HydrophobicContact CD2-CE2 4.27Å; F231-F430 HydrophobicContact CE1-CD2 4.39Å; F231-F430 AromaticContact CE1-CE2 3.58Å; F231-F430 HydrophobicContact CE1-CE2 3.58Å; F231-F430 AromaticContact CE1-CZ 3.99Å; F231-F430 HydrophobicContact CE1-CZ 3.99Å; F231-F430 AromaticContact CE2-CD2 3.87Å; F231-F430 HydrophobicContact CE2-CD2 3.87Å; F231-F430 AromaticContact CE2-CE2 3.84Å; F231-F430 HydrophobicContact CE2-CE2 3.84Å; F231-F430 HydrophobicContact CG-CE2 4.36Å; F231-F430 AromaticContact CZ-CD2 3.82Å; F231-F430 HydrophobicContact CZ-CD2 3.82Å; F231-F430 AromaticContact CZ-CE2 3.47Å; F231-F430 HydrophobicContact CZ-CE2 3.47Å; F231-F430 VanDerWaalsContact CZ-CE2 3.47Å; F231-F430 HydrophobicContact CZ-CZ 4.12Å; F239-F430 HydrophobicContact CD1-CE1 4.42Å; F239-F430 HydrophobicContact CD1-CZ 4.4Å; F239-F430 HydrophobicContact CD2-CE1 4.15Å; F239-F430 HydrophobicContact CD2-CZ 4.34Å; F239-F430 HydrophobicContact CE1-CE1 4.24Å; F239-F430 AromaticContact CE2-CE1 3.97Å; F239-F430 HydrophobicContact CE2-CE1 3.97Å; F239-F430 HydrophobicContact CG-CE1 4.37Å; F239-F430 HydrophobicContact CG-CZ 4.24Å; F239-F430 HydrophobicContact CZ-CE1 4.01Å; N427-F430 HydrophobicContact CB-CB 3.97Å; N427-F430 PolarHBondContact O-N 2.87Å; N427-F430 PolarHBondContact OD1-N 2.91Å; F430-A434 VanDerWaalsContact O-CB 3.23Å; F430-A434 WeakPolarHBondContact O-CB 3.11Å; F430-A434 PolarHBondContact O-N 2.76Å; F430-I520 HydrophobicContact CB-CG2 4.16Å; F430-I520 HydrophobicContact CD1-CG2 3.94Å; F430-I520 HydrophobicContact CD2-CG2 4.32Å; F430-I520 HydrophobicContact CE1-CG2 4.42Å; F430-I520 HydrophobicContact CG-CG2 3.89Å; F430-M521 HydrophobicContact CE1-CG 4.07Å; F430-M521 HydrophobicContact CZ-CG 3.72Å; F430-M521 HydrophobicContact CZ-SD 4.48Å; F430-T524 HydrophobicContact CD1-CG2 3.91Å; F430-T524 WeakPolarHBondContact CD1-OG1 3.32Å; F430-T524 HydrophobicContact CE1-CG2 4.2Å |
| 431 | I | 91 | Very high | 84.9 | Confident | 23 Ų | 23 | 52.5 Ų | 52.5 | 12% | 0.118 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -48.5 | 176.8 | -65.5 | 157.1 | 0 | 0 | 0 | 111.5 | F426 N427 I428 W429 A434 F435 T524 L527 | F426-I431 HydrophobicContact CB-CD1 4.43Å; F426-I431 HydrophobicContact CD1-CD1 4.39Å; N427-I431 WeakPolarHBondContact O-CD1 3.28Å; N427-I431 VanDerWaalsContact O-CG1 3.26Å; N427-I431 WeakPolarHBondContact O-CG1 3.34Å; N427-I431 PolarHBondContact O-N 2.73Å; I428-I431 PolarHBondContact O-N 3Å; W429-I431 VanDerWaalsContact C-N 3.33Å; I431-A434 WeakPolarHBondContact O-CB 3.33Å; I431-A434 PolarHBondContact O-N 2.94Å; I431-F435 HydrophobicContact CG2-CD2 3.99Å; I431-F435 HydrophobicContact CG2-CE2 3.79Å; I431-F435 VanDerWaalsContact O-CD2 3.27Å; I431-F435 WeakPolarHBondContact O-CD2 3.46Å; I431-F435 PolarHBondContact O-N 2.69Å; I431-T524 HydrophobicContact CB-CG2 4.4Å; I431-T524 HydrophobicContact CG1-CG2 3.95Å; I431-L527 HydrophobicContact CD1-CD1 3.59Å; I431-L527 HydrophobicContact CG1-CD1 4.23Å |
| 432 | I | 90.7 | Very high | 85.6 | Confident | 91 Ų | 91 | 53 Ų | 53 | 47% | 0.467 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.3 | -46.5 | 178.2 | -66.6 | 170.1 | 0 | 0 | 0 | 110.5 | I428 A434 F435 V436 | I428-I432 HydrophobicContact CG2-CD1 3.75Å; I428-I432 HydrophobicContact CG2-CG1 4.42Å; I428-I432 WeakPolarHBondContact O-CG1 3.39Å; I428-I432 PolarHBondContact O-N 2.86Å; I432-A434 VanDerWaalsContact C-N 3.27Å; I432-A434 PolarHBondContact O-N 3.33Å; I432-F435 PolarHBondContact O-N 2.98Å; I432-V436 PolarHBondContact O-N 3.38Å; I432-V436 VanDerWaalsContact O-N 3.15Å |
| 433 | G | 91.7 | Very high | 86.6 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.8 | -41.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | W429 V436 A437 | W429-G433 PolarHBondContact O-N 3.4Å; G433-V436 PolarHBondContact O-N 3.3Å; G433-A437 VanDerWaalsContact O-CB 3.3Å; G433-A437 WeakPolarHBondContact O-CB 3.49Å; G433-A437 PolarHBondContact O-N 3.03Å |
| 434 | A | 91 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.9 | -55.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | M220 F239 F430 I431 I432 V436 A437 I438 T524 I528 | M220-A434 HydrophobicContact CE-CB 4.23Å; M220-A434 WeakPolarHBondContact SD-CA 3.47Å; M220-A434 HydrophobicContact SD-CB 4.03Å; M220-A434 PolarHBondContact SD-N 3.47Å; F239-A434 HydrophobicContact CE1-CB 3.81Å; F239-A434 HydrophobicContact CZ-CB 3.85Å; F430-A434 VanDerWaalsContact O-CB 3.23Å; F430-A434 WeakPolarHBondContact O-CB 3.11Å; F430-A434 PolarHBondContact O-N 2.76Å; I431-A434 WeakPolarHBondContact O-CB 3.33Å; I431-A434 PolarHBondContact O-N 2.94Å; I432-A434 VanDerWaalsContact C-N 3.27Å; I432-A434 PolarHBondContact O-N 3.33Å; A434-V436 PolarHBondContact O-N 3.46Å; A434-V436 VanDerWaalsContact O-N 3.1Å; A434-A437 PolarHBondContact O-N 3.06Å; A434-I438 VanDerWaalsContact C-CD1 3.46Å; A434-I438 HydrophobicContact CB-CD1 3.96Å; A434-I438 WeakPolarHBondContact O-CB 3.43Å; A434-I438 WeakPolarHBondContact O-CD1 3.41Å; A434-I438 WeakPolarHBondContact O-CG1 3.24Å; A434-I438 PolarHBondContact O-N 2.61Å; A434-T524 HydrophobicContact CB-CG2 3.76Å; A434-I528 HydrophobicContact CB-CD1 4.08Å |
| 435 | F | 87.9 | Confident | 88.3 | Confident | 65 Ų | 65 | 50.7 Ų | 50.7 | 29% | 0.285 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -52.4 | -37.9 | -179.5 | -82.9 | -69.5 | 0 | 0 | 0 | 113.1 | I431 I432 F439 I528 F531 | I431-F435 HydrophobicContact CG2-CD2 3.99Å; I431-F435 HydrophobicContact CG2-CE2 3.79Å; I431-F435 VanDerWaalsContact O-CD2 3.27Å; I431-F435 WeakPolarHBondContact O-CD2 3.46Å; I431-F435 PolarHBondContact O-N 2.69Å; I432-F435 PolarHBondContact O-N 2.98Å; F435-F439 PolarHBondContact O-N 2.99Å; F435-I528 HydrophobicContact CE1-CG1 4.24Å; F435-I528 HydrophobicContact CE2-CG1 4.4Å; F435-I528 HydrophobicContact CZ-CG1 4.07Å; F435-F531 HydrophobicContact CE1-CB 4.27Å; F435-F531 AromaticContact CE1-CD1 3.58Å; F435-F531 HydrophobicContact CE1-CD1 3.58Å; F435-F531 HydrophobicContact CE1-CE1 4.08Å; F435-F531 AromaticContact CE1-CG 3.95Å; F435-F531 HydrophobicContact CE1-CG 3.95Å; F435-F531 HydrophobicContact CZ-CB 3.88Å; F435-F531 AromaticContact CZ-CD1 3.96Å; F435-F531 HydrophobicContact CZ-CD1 3.96Å; F435-F531 HydrophobicContact CZ-CD2 4.38Å; F435-F531 AromaticContact CZ-CG 3.81Å; F435-F531 HydrophobicContact CZ-CG 3.81Å |
| 436 | V | 88.9 | Confident | 88.5 | Confident | 77 Ų | 77 | 47.8 Ų | 47.8 | 47% | 0.467 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.9 | -50 | 174.4 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | I432 G433 A434 I438 F439 L440 | I432-V436 PolarHBondContact O-N 3.38Å; I432-V436 VanDerWaalsContact O-N 3.15Å; G433-V436 PolarHBondContact O-N 3.3Å; A434-V436 PolarHBondContact O-N 3.46Å; A434-V436 VanDerWaalsContact O-N 3.1Å; V436-I438 PolarHBondContact O-N 3.35Å; V436-F439 PolarHBondContact O-N 2.92Å; V436-F439 VanDerWaalsContact O-N 3.16Å; V436-L440 HydrophobicContact CG1-CD1 3.8Å; V436-L440 HydrophobicContact CG1-CG 4.32Å; V436-L440 WeakPolarHBondContact O-CG 3.08Å; V436-L440 PolarHBondContact O-N 2.96Å |
| 437 | A | 91.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.1 | -37.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I216 I219 M220 G433 A434 G441 | I216-A437 HydrophobicContact CG2-CB 4.27Å; I219-A437 HydrophobicContact CB-CB 3.82Å; I219-A437 HydrophobicContact CD1-CB 4.44Å; I219-A437 HydrophobicContact CG2-CB 3.56Å; M220-A437 HydrophobicContact CG-CB 4.07Å; M220-A437 HydrophobicContact SD-CB 3.98Å; G433-A437 VanDerWaalsContact O-CB 3.3Å; G433-A437 WeakPolarHBondContact O-CB 3.49Å; G433-A437 PolarHBondContact O-N 3.03Å; A434-A437 PolarHBondContact O-N 3.06Å; A437-G441 WeakPolarHBondContact O-CA 3.26Å; A437-G441 PolarHBondContact O-N 2.77Å |
| 438 | I | 86.9 | Confident | 88.8 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 6% | 0.062 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.7 | -42.4 | 178.8 | -71.9 | 165.4 | 0 | 0 | 0 | 111.8 | I243 A434 V436 R442 Q496 I528 | I243-I438 HydrophobicContact CG1-CD1 4.4Å; A434-I438 VanDerWaalsContact C-CD1 3.46Å; A434-I438 HydrophobicContact CB-CD1 3.96Å; A434-I438 WeakPolarHBondContact O-CB 3.43Å; A434-I438 WeakPolarHBondContact O-CD1 3.41Å; A434-I438 WeakPolarHBondContact O-CG1 3.24Å; A434-I438 PolarHBondContact O-N 2.61Å; V436-I438 PolarHBondContact O-N 3.35Å; I438-R442 PolarHBondContact O-N 3.49Å; I438-Q496 PolarHBondContact O-NE2 2.97Å; I438-I528 HydrophobicContact CD1-CD1 3.43Å; I438-I528 VanDerWaalsContact CD1-CD1 3.43Å; I438-I528 HydrophobicContact CD1-CG1 4.04Å; I438-I528 HydrophobicContact CD1-CG2 4.31Å |
| 439 | F | 82.4 | Confident | 88.8 | Confident | 76 Ų | 76 | 41.2 Ų | 41.2 | 33% | 0.333 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68 | -54 | 177.9 | -178.4 | -101.4 | 0 | 0 | 0 | 110.9 | F435 V436 G441 R442 V443 F471 | F435-F439 PolarHBondContact O-N 2.99Å; V436-F439 PolarHBondContact O-N 2.92Å; V436-F439 VanDerWaalsContact O-N 3.16Å; F439-G441 VanDerWaalsContact C-N 3.34Å; F439-G441 PolarHBondContact O-N 3.23Å; F439-R442 PolarHBondContact O-N 3.37Å; F439-V443 HydrophobicContact CE1-CG2 4.29Å; F439-V443 HydrophobicContact CZ-CG2 4.35Å; F439-V443 WeakPolarHBondContact O-CG2 3.46Å; F439-V443 PolarHBondContact O-N 3.23Å; F439-V443 VanDerWaalsContact O-N 3.12Å; F439-F471 HydrophobicContact CE2-CD1 4.36Å; F439-F471 AromaticContact CE2-CE1 3.47Å; F439-F471 HydrophobicContact CE2-CE1 3.47Å; F439-F471 VanDerWaalsContact CE2-CE1 3.47Å; F439-F471 AromaticContact CE2-CZ 3.94Å; F439-F471 HydrophobicContact CE2-CZ 3.94Å; F439-F471 AromaticContact CZ-CE1 3.63Å; F439-F471 HydrophobicContact CZ-CE1 3.63Å; F439-F471 AromaticContact CZ-CZ 3.76Å; F439-F471 HydrophobicContact CZ-CZ 3.76Å |
| 440 | L | 88.1 | Confident | 88.7 | Confident | 71 Ų | 71 | 33.5 Ų | 33.5 | 37% | 0.372 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -60.1 | -44.5 | 178.1 | -64.4 | 176.6 | 0 | 0 | 0 | 111.2 | I219 V436 R442 V443 L444 | I219-L440 HydrophobicContact CD1-CB 4.03Å; I219-L440 HydrophobicContact CD1-CD1 4.33Å; V436-L440 HydrophobicContact CG1-CD1 3.8Å; V436-L440 HydrophobicContact CG1-CG 4.32Å; V436-L440 WeakPolarHBondContact O-CG 3.08Å; V436-L440 PolarHBondContact O-N 2.96Å; L440-R442 VanDerWaalsContact C-N 3.3Å; L440-R442 PolarHBondContact O-N 2.82Å; L440-V443 PolarHBondContact O-N 3.46Å; L440-L444 HydrophobicContact CB-CD1 4.28Å; L440-L444 VanDerWaalsContact O-CB 3.22Å; L440-L444 WeakPolarHBondContact O-CB 3.25Å; L440-L444 WeakPolarHBondContact O-CG 3.44Å; L440-L444 PolarHBondContact O-N 3.36Å |
| 441 | G | 86.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58 | -37 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | A437 F439 H445 | A437-G441 WeakPolarHBondContact O-CA 3.26Å; A437-G441 PolarHBondContact O-N 2.77Å; F439-G441 VanDerWaalsContact C-N 3.34Å; F439-G441 PolarHBondContact O-N 3.23Å; G441-H445 PolarHBondContact O-N 2.9Å; G441-H445 PolarHBondContact O-ND1 3.01Å |
| 442 | R | 83.7 | Confident | 88.5 | Confident | 19 Ų | 19 | 40.5 Ų | 40.5 | 7% | 0.072 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.2 | -47.2 | 176.4 | -166.6 | 63.1 | 164.6 | 166.1 | -5.9 | 111.9 | E271 I438 F439 L440 L444 H445 I446 V470 Q496 S498 | E271-R442 IonicContact OE1-CZ 3.16Å; E271-R442 IonicContact OE1-NH1 2.66Å; E271-R442 PolarHBondContact OE1-NH1 2.96Å; E271-R442 IonicContact OE1-NH2 3.31Å; E271-R442 PolarHBondContact OE1-NH2 3.29Å; I438-R442 PolarHBondContact O-N 3.49Å; F439-R442 PolarHBondContact O-N 3.37Å; L440-R442 VanDerWaalsContact C-N 3.3Å; L440-R442 PolarHBondContact O-N 2.82Å; R442-L444 PolarHBondContact O-N 3.45Å; R442-H445 PolarHBondContact NH1-NE2 3.24Å; R442-I446 HydrophobicContact CG-CD1 4.16Å; R442-I446 WeakPolarHBondContact O-CG1 3.31Å; R442-I446 PolarHBondContact O-N 2.93Å; R442-V470 HydrophobicContact CG-CG1 4.29Å; R442-Q496 HydrophobicContact CG-CG 4.37Å; R442-S498 PolarHBondContact NE-OG 3.3Å; R442-S498 PolarHBondContact NH2-O 2.85Å |
| 443 | V | 85.6 | Confident | 88.4 | Confident | 38 Ų | 38 | 37.5 Ų | 37.5 | 23% | 0.23 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.6 | -47.5 | 176.1 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | F439 L440 H445 Y447 V470 | F439-V443 HydrophobicContact CE1-CG2 4.29Å; F439-V443 HydrophobicContact CZ-CG2 4.35Å; F439-V443 WeakPolarHBondContact O-CG2 3.46Å; F439-V443 PolarHBondContact O-N 3.23Å; F439-V443 VanDerWaalsContact O-N 3.12Å; L440-V443 PolarHBondContact O-N 3.46Å; V443-H445 PolarHBondContact O-N 3.38Å; V443-Y447 HydrophobicContact CG1-CD2 3.98Å; V443-Y447 HydrophobicContact CG1-CE2 4.09Å; V443-Y447 WeakPolarHBondContact O-CD2 3.45Å; V443-Y447 PolarHBondContact O-N 2.84Å; V443-V470 HydrophobicContact CG2-CG1 3.95Å |
| 444 | L | 88.7 | Confident | 88.3 | Confident | 85 Ų | 85 | 39.2 Ų | 39.2 | 45% | 0.445 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -75 | -21.7 | -171.3 | -71.4 | 171 | 0 | 0 | 0 | 114.6 | L215 L440 R442 P448 | L215-L444 HydrophobicContact CD1-CB 3.52Å; L215-L444 HydrophobicContact CD1-CD1 4.2Å; L440-L444 HydrophobicContact CB-CD1 4.28Å; L440-L444 VanDerWaalsContact O-CB 3.22Å; L440-L444 WeakPolarHBondContact O-CB 3.25Å; L440-L444 WeakPolarHBondContact O-CG 3.44Å; L440-L444 PolarHBondContact O-N 3.36Å; R442-L444 PolarHBondContact O-N 3.45Å; L444-P448 VanDerWaalsContact O-CD 3.27Å; L444-P448 WeakPolarHBondContact O-CD 3.48Å; L444-P448 VanDerWaalsContact O-CG 3.27Å; L444-P448 WeakPolarHBondContact O-CG 3.49Å |
| 445 | H | 88.2 | Confident | 88.1 | Confident | 6 Ų | 6 | 46.5 Ų | 46.5 | 3% | 0.028 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -90.1 | -41.3 | 169.6 | 73.5 | -99.9 | 0 | 0 | 0 | 112.8 | I211 G441 R442 V443 L449 | I211-H445 HydrophobicContact CB-CB 4.19Å; I211-H445 HydrophobicContact CG2-CB 3.82Å; G441-H445 PolarHBondContact O-N 2.9Å; G441-H445 PolarHBondContact O-ND1 3.01Å; R442-H445 PolarHBondContact NH1-NE2 3.24Å; V443-H445 PolarHBondContact O-N 3.38Å; H445-L449 HydrophobicContact CB-CD1 4.2Å; H445-L449 WeakPolarHBondContact O-CB 3.26Å; H445-L449 WeakPolarHBondContact O-CG 3.48Å; H445-L449 PolarHBondContact O-N 3.09Å |
| 446 | I | 87.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.5 | -54.3 | -170.7 | -66.7 | -172.2 | 0 | 0 | 0 | 112.2 | R442 L449 T450 M469 V470 | R442-I446 HydrophobicContact CG-CD1 4.16Å; R442-I446 WeakPolarHBondContact O-CG1 3.31Å; R442-I446 PolarHBondContact O-N 2.93Å; I446-L449 PolarHBondContact O-N 2.88Å; I446-T450 WeakPolarHBondContact O-CB 3.43Å; I446-T450 PolarHBondContact O-N 3.3Å; I446-T450 PolarHBondContact O-OG1 3.49Å; I446-M469 HydrophobicContact CD1-CB 4.31Å; I446-M469 WeakPolarHBondContact CD1-O 3.13Å; I446-M469 HydrophobicContact CG2-CB 4.36Å; I446-V470 HydrophobicContact CB-CG2 3.83Å; I446-V470 HydrophobicContact CD1-CG2 3.96Å; I446-V470 HydrophobicContact CG1-CG2 4.39Å; I446-V470 HydrophobicContact CG2-CG2 3.78Å |
| 447 | Y | 89.2 | Confident | 87 | Confident | 47 Ų | 47 | 44.4 Ų | 44.4 | 18% | 0.184 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.9 | -44.3 | -175.9 | -63 | -72.2 | 0 | 0 | 0 | 112.8 | V443 T450 A451 M463 Q466 H467 V470 | V443-Y447 HydrophobicContact CG1-CD2 3.98Å; V443-Y447 HydrophobicContact CG1-CE2 4.09Å; V443-Y447 WeakPolarHBondContact O-CD2 3.45Å; V443-Y447 PolarHBondContact O-N 2.84Å; Y447-T450 PolarHBondContact O-N 3.42Å; Y447-A451 WeakPolarHBondContact O-CB 3.18Å; Y447-A451 PolarHBondContact O-N 2.88Å; Y447-M463 HydrophobicContact CD1-CE 3.82Å; Y447-M463 HydrophobicContact CD1-SD 4.45Å; Y447-M463 HydrophobicContact CE1-CE 3.77Å; Y447-M463 HydrophobicContact CE1-SD 4.44Å; Y447-Q466 HydrophobicContact CD1-CB 4.16Å; Y447-Q466 HydrophobicContact CE1-CB 3.86Å; Y447-H467 AromaticContact CE1-ND1 3.87Å; Y447-H467 AromaticContact CZ-ND1 3.82Å; Y447-H467 PolarHBondContact OH-ND1 3.44Å; Y447-V470 HydrophobicContact CE2-CG2 3.88Å |
| 448 | P | 91.1 | Very high | 86 | Confident | 73 Ų | 73 | 48.8 Ų | 48.8 | 47% | 0.474 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 176.4 | -24.9 | 38.7 | 0 | 0 | 0 | 114 | L444 A451 L452 | L444-P448 VanDerWaalsContact O-CD 3.27Å; L444-P448 WeakPolarHBondContact O-CD 3.48Å; L444-P448 VanDerWaalsContact O-CG 3.27Å; L444-P448 WeakPolarHBondContact O-CG 3.49Å; P448-A451 PolarHBondContact O-N 3.24Å; P448-L452 WeakPolarHBondContact O-CB 3.37Å; P448-L452 PolarHBondContact O-N 3.38Å |
| 449 | L | 90.3 | Very high | 85.4 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 7% | 0.068 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.6 | -37.7 | 175.8 | -70.5 | 174.6 | 0 | 0 | 0 | 111.7 | V203 Y204 F207 G208 I211 H445 I446 L452 L453 | V203-L449 HydrophobicContact CG1-CD2 4.09Å; Y204-L449 HydrophobicContact CD1-CB 4.33Å; Y204-L449 HydrophobicContact CD1-CD1 4.42Å; Y204-L449 HydrophobicContact CE1-CB 4.05Å; F207-L449 HydrophobicContact CB-CD1 4.47Å; F207-L449 HydrophobicContact CB-CD2 4.23Å; G208-L449 VanDerWaalsContact CA-CD1 3.45Å; I211-L449 HydrophobicContact CD1-CD1 4.36Å; I211-L449 HydrophobicContact CD1-CD2 4.16Å; I211-L449 HydrophobicContact CD1-CG 4.43Å; H445-L449 HydrophobicContact CB-CD1 4.2Å; H445-L449 WeakPolarHBondContact O-CB 3.26Å; H445-L449 WeakPolarHBondContact O-CG 3.48Å; H445-L449 PolarHBondContact O-N 3.09Å; I446-L449 PolarHBondContact O-N 2.88Å; L449-L452 PolarHBondContact O-N 3.04Å; L449-L453 WeakPolarHBondContact O-CB 3.29Å; L449-L453 VanDerWaalsContact O-CG 3.27Å; L449-L453 WeakPolarHBondContact O-CG 3.16Å; L449-L453 PolarHBondContact O-N 2.97Å |
| 450 | T | 89.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.6 | -37.6 | 174.5 | -47.5 | 0 | 0 | 0 | 0 | 111.7 | Y204 I446 Y447 L453 N454 I461 Q466 | Y204-T450 WeakPolarHBondContact OH-CB 3.47Å; Y204-T450 WeakPolarHBondContact OH-CG2 3.35Å; Y204-T450 PolarHBondContact OH-OG1 3.38Å; I446-T450 WeakPolarHBondContact O-CB 3.43Å; I446-T450 PolarHBondContact O-N 3.3Å; I446-T450 PolarHBondContact O-OG1 3.49Å; Y447-T450 PolarHBondContact O-N 3.42Å; T450-L453 PolarHBondContact O-N 2.92Å; T450-N454 VanDerWaalsContact O-CB 3.23Å; T450-N454 WeakPolarHBondContact O-CB 3.28Å; T450-N454 PolarHBondContact O-N 2.93Å; T450-I461 HydrophobicContact CG2-CB 3.68Å; T450-I461 HydrophobicContact CG2-CD1 4.14Å; T450-I461 HydrophobicContact CG2-CG1 4.42Å; T450-I461 HydrophobicContact CG2-CG2 3.96Å; T450-Q466 VanDerWaalsContact CG2-CD 3.41Å; T450-Q466 HydrophobicContact CG2-CG 3.56Å |
| 451 | A | 89 | Confident | 84.9 | Confident | 55 Ų | 55 | 48.5 Ų | 48.5 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.6 | -49.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y447 P448 L453 N454 L455 | Y447-A451 WeakPolarHBondContact O-CB 3.18Å; Y447-A451 PolarHBondContact O-N 2.88Å; P448-A451 PolarHBondContact O-N 3.24Å; A451-L453 PolarHBondContact O-N 3.4Å; A451-N454 PolarHBondContact O-N 2.98Å; A451-L455 PolarHBondContact O-N 3.44Å |
| 452 | L | 90.4 | Very high | 84.5 | Confident | 115 Ų | 115 | 51.6 Ų | 51.6 | 60% | 0.602 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -59.3 | -45.5 | 176 | -178.5 | 64.2 | 0 | 0 | 0 | 112.3 | P448 L449 N454 L455 | P448-L452 WeakPolarHBondContact O-CB 3.37Å; P448-L452 PolarHBondContact O-N 3.38Å; L449-L452 PolarHBondContact O-N 3.04Å; L452-N454 PolarHBondContact O-N 3.31Å; L452-L455 HydrophobicContact CD1-CD1 4.43Å; L452-L455 WeakPolarHBondContact O-CB 3.31Å; L452-L455 PolarHBondContact O-N 3.28Å |
| 453 | L | 88.8 | Confident | 84.1 | Confident | 28 Ų | 28 | 55.3 Ų | 55.3 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 175.8 | -77.6 | 169.4 | 0 | 0 | 0 | 112.1 | V203 Y204 L449 T450 A451 L455 G456 R457 | V203-L453 HydrophobicContact CB-CD1 4.31Å; V203-L453 HydrophobicContact CB-CD2 4.09Å; V203-L453 HydrophobicContact CG1-CD1 4.03Å; V203-L453 HydrophobicContact CG1-CD2 4.14Å; V203-L453 HydrophobicContact CG1-CG 4.11Å; V203-L453 HydrophobicContact CG2-CD2 4.08Å; Y204-L453 HydrophobicContact CD2-CD1 4.43Å; Y204-L453 HydrophobicContact CE1-CD1 4.02Å; Y204-L453 HydrophobicContact CE2-CD1 3.76Å; L449-L453 WeakPolarHBondContact O-CB 3.29Å; L449-L453 VanDerWaalsContact O-CG 3.27Å; L449-L453 WeakPolarHBondContact O-CG 3.16Å; L449-L453 PolarHBondContact O-N 2.97Å; T450-L453 PolarHBondContact O-N 2.92Å; A451-L453 PolarHBondContact O-N 3.4Å; L453-L455 PolarHBondContact O-N 2.9Å; L453-G456 PolarHBondContact O-N 3.18Å; L453-G456 VanDerWaalsContact O-N 3.09Å; L453-R457 WeakPolarHBondContact O-CB 3.26Å; L453-R457 PolarHBondContact O-N 3.37Å |
| 454 | N | 88.8 | Confident | 83.3 | Confident | 44 Ų | 44 | 55.6 Ų | 55.6 | 24% | 0.235 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.3 | -21.4 | -178 | -79.2 | -9.3 | 0 | 0 | 0 | 113.4 | T450 A451 L452 G456 P460 I461 | T450-N454 VanDerWaalsContact O-CB 3.23Å; T450-N454 WeakPolarHBondContact O-CB 3.28Å; T450-N454 PolarHBondContact O-N 2.93Å; A451-N454 PolarHBondContact O-N 2.98Å; L452-N454 PolarHBondContact O-N 3.31Å; N454-G456 PolarHBondContact O-N 3.15Å; N454-P460 HydrophobicContact CB-CB 4.12Å; N454-P460 WeakPolarHBondContact OD1-CA 3.24Å; N454-I461 PolarHBondContact ND2-O 2.88Å; N454-I461 PolarHBondContact OD1-N 3.17Å |
| 455 | L | 87.7 | Confident | 82.5 | Confident | 153 Ų | 153 | 53 Ų | 53 | 80% | 0.801 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26 | 171 | -61.9 | 177.2 | 0 | 0 | 0 | 112.9 | A451 L452 L453 | A451-L455 PolarHBondContact O-N 3.44Å; L452-L455 HydrophobicContact CD1-CD1 4.43Å; L452-L455 WeakPolarHBondContact O-CB 3.31Å; L452-L455 PolarHBondContact O-N 3.28Å; L453-L455 PolarHBondContact O-N 2.9Å |
| 456 | G | 77.2 | Confident | 82 | Confident | 57 Ų | 57 | 53.3 Ų | 53.3 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120 | 8.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L453 N454 | L453-G456 PolarHBondContact O-N 3.18Å; L453-G456 VanDerWaalsContact O-N 3.09Å; N454-G456 PolarHBondContact O-N 3.15Å |
| 457 | R | 76.5 | Confident | 81.2 | Confident | 40 Ų | 40 | 55.4 Ų | 55.4 | 15% | 0.151 | 33% | 0.325 | C | S | . | . | trans | -119.7 | 127.1 | -166.6 | -171.4 | -169.7 | 157.9 | 101.4 | 10.8 | 114 | N197 S200 L453 P459 P460 | N197-R457 PolarHBondContact OD1-NH1 2.9Å; N197-R457 PolarHBondContact OD1-NH2 3.2Å; S200-R457 PolarHBondContact OG-NH1 2.95Å; L453-R457 WeakPolarHBondContact O-CB 3.26Å; L453-R457 PolarHBondContact O-N 3.37Å; R457-P459 WeakPolarHBondContact CG-O 3.49Å; R457-P459 PolarHBondContact NE-O 3.45Å; R457-P459 CarbonylContact O-C 3.55Å; R457-P460 VanDerWaalsContact O-N 3.13Å | ||
| 458 | T | 69.2 | Low | 80.1 | Confident | 92 Ų | 92 | 54 Ų | 54 | 56% | 0.564 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -122.4 | 111.8 | -178.8 | 35.2 | 0 | 0 | 0 | 0 | 110.8 | D578 | T458-D578 WeakPolarHBondContact CB-OD1 3.27Å; T458-D578 PolarHBondContact OG1-OD1 2.86Å |
| 459 | P | 75.4 | Confident | 79.2 | Confident | 76 Ų | 76 | 50.6 Ų | 50.6 | 49% | 0.494 | 30% | 0.298 | S | S | . | . | S | Bend | cis | -73.3 | 152.6 | -10.4 | 33 | -35.7 | 0 | 0 | 0 | 112.5 | R457 | R457-P459 WeakPolarHBondContact CG-O 3.49Å; R457-P459 PolarHBondContact NE-O 3.45Å; R457-P459 CarbonylContact O-C 3.55Å |
| 460 | P | 80.5 | Confident | 78.2 | Confident | 74 Ų | 74 | 50 Ų | 50 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | trans | -64.2 | 156.7 | 175.2 | 28.4 | -35.8 | 0 | 0 | 0 | 111.3 | N454 R457 P462 | N454-P460 HydrophobicContact CB-CB 4.12Å; N454-P460 WeakPolarHBondContact OD1-CA 3.24Å; R457-P460 VanDerWaalsContact O-N 3.13Å; P460-P462 WeakPolarHBondContact O-CD 3.38Å | ||
| 461 | I | 79.8 | Confident | 76.8 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | trans | -77.2 | 112.3 | 173.4 | -59.7 | 172.8 | 0 | 0 | 0 | 107.5 | Y204 L267 T450 N454 N465 Q466 | Y204-I461 HydrophobicContact CE2-CD1 4.21Å; Y204-I461 WeakPolarHBondContact OH-CD1 3.46Å; L267-I461 HydrophobicContact CD1-CD1 3.91Å; L267-I461 HydrophobicContact CD1-CG1 4.28Å; L267-I461 HydrophobicContact CD2-CD1 4.45Å; T450-I461 HydrophobicContact CG2-CB 3.68Å; T450-I461 HydrophobicContact CG2-CD1 4.14Å; T450-I461 HydrophobicContact CG2-CG1 4.42Å; T450-I461 HydrophobicContact CG2-CG2 3.96Å; N454-I461 PolarHBondContact ND2-O 2.88Å; N454-I461 PolarHBondContact OD1-N 3.17Å; I461-N465 HydrophobicContact CG2-CB 3.77Å; I461-Q466 HydrophobicContact CG2-CG 4.11Å; I461-Q466 PolarHBondContact O-NE2 3.29Å | ||
| 462 | P | 77.7 | Confident | 75 | Confident | 65 Ų | 65 | 51.6 Ų | 51.6 | 42% | 0.422 | 30% | 0.297 | S | S | . | . | trans | -69.2 | 156.8 | -175 | 29.9 | -36.2 | 0 | 0 | 0 | 111.3 | P460 N464 N465 Q466 | P460-P462 WeakPolarHBondContact O-CD 3.38Å; P462-N464 PolarHBondContact O-N 3.17Å; P462-N464 VanDerWaalsContact O-N 3.14Å; P462-N465 HydrophobicContact CG-CB 4.05Å; P462-N465 WeakPolarHBondContact O-CA 3.33Å; P462-N465 WeakPolarHBondContact O-CB 3.43Å; P462-N465 PolarHBondContact O-N 2.96Å; P462-Q466 PolarHBondContact O-N 3.08Å; P462-Q466 VanDerWaalsContact O-N 3.14Å | ||
| 463 | M | 76.3 | Confident | 72.4 | Confident | 96 Ų | 96 | 47.1 Ų | 47.1 | 47% | 0.473 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.8 | -32.1 | -178 | -155.3 | 71.1 | 172.2 | 0 | 0 | 112.9 | Y447 N465 Q466 H467 | Y447-M463 HydrophobicContact CD1-CE 3.82Å; Y447-M463 HydrophobicContact CD1-SD 4.45Å; Y447-M463 HydrophobicContact CE1-CE 3.77Å; Y447-M463 HydrophobicContact CE1-SD 4.44Å; M463-N465 VanDerWaalsContact C-N 3.32Å; M463-N465 PolarHBondContact O-N 3.29Å; M463-Q466 WeakPolarHBondContact O-CB 3.39Å; M463-Q466 PolarHBondContact O-N 2.76Å; M463-Q466 VanDerWaalsContact O-N 3.16Å; M463-H467 WeakPolarHBondContact CG-NE2 3.35Å; M463-H467 PolarHBondContact O-CD2 3.45Å; M463-H467 VanDerWaalsContact O-CG 3.28Å; M463-H467 PolarHBondContact O-N 2.82Å |
| 464 | N | 67 | Low | 69.6 | Low | 45 Ų | 45 | 50.7 Ų | 50.7 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 172.7 | -63.2 | -14.2 | 0 | 0 | 0 | 111.9 | P462 Q466 M468 | P462-N464 PolarHBondContact O-N 3.17Å; P462-N464 VanDerWaalsContact O-N 3.14Å; N464-Q466 VanDerWaalsContact C-N 3.35Å; N464-M468 VanDerWaalsContact O-CB 3.32Å; N464-M468 WeakPolarHBondContact O-CB 3.35Å; N464-M468 PolarHBondContact O-N 3.08Å |
| 465 | N | 72.4 | Confident | 67.2 | Low | 29 Ų | 29 | 53 Ų | 53 | 16% | 0.155 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.3 | -30.4 | 176.9 | -69.5 | 22.2 | 0 | 0 | 0 | 111.4 | L264 I461 P462 M463 M468 M469 | L264-N465 HydrophobicContact CD1-CB 4.42Å; I461-N465 HydrophobicContact CG2-CB 3.77Å; P462-N465 HydrophobicContact CG-CB 4.05Å; P462-N465 WeakPolarHBondContact O-CA 3.33Å; P462-N465 WeakPolarHBondContact O-CB 3.43Å; P462-N465 PolarHBondContact O-N 2.96Å; M463-N465 VanDerWaalsContact C-N 3.32Å; M463-N465 PolarHBondContact O-N 3.29Å; N465-M468 PolarHBondContact O-N 3.26Å; N465-M469 WeakPolarHBondContact O-CB 3.23Å; N465-M469 VanDerWaalsContact O-CG 3.27Å; N465-M469 WeakPolarHBondContact O-CG 3.43Å; N465-M469 PolarHBondContact O-N 3.34Å |
| 466 | Q | 78.1 | Confident | 64.7 | Low | 13 Ų | 13 | 52.5 Ų | 52.5 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.5 | -45.6 | 173.7 | -64.7 | 174.2 | 46.9 | 0 | 0 | 111.5 | Y447 T450 I461 P462 M463 N464 M468 M469 V470 | Y447-Q466 HydrophobicContact CD1-CB 4.16Å; Y447-Q466 HydrophobicContact CE1-CB 3.86Å; T450-Q466 VanDerWaalsContact CG2-CD 3.41Å; T450-Q466 HydrophobicContact CG2-CG 3.56Å; I461-Q466 HydrophobicContact CG2-CG 4.11Å; I461-Q466 PolarHBondContact O-NE2 3.29Å; P462-Q466 PolarHBondContact O-N 3.08Å; P462-Q466 VanDerWaalsContact O-N 3.14Å; M463-Q466 WeakPolarHBondContact O-CB 3.39Å; M463-Q466 PolarHBondContact O-N 2.76Å; M463-Q466 VanDerWaalsContact O-N 3.16Å; N464-Q466 VanDerWaalsContact C-N 3.35Å; Q466-M468 VanDerWaalsContact C-N 3.27Å; Q466-M468 PolarHBondContact O-N 3.41Å; Q466-M469 CarbonylContact O-C 3.35Å; Q466-M469 WeakPolarHBondContact O-CA 3.34Å; Q466-M469 PolarHBondContact O-N 3.46Å; Q466-M469 VanDerWaalsContact O-N 3.11Å; Q466-V470 PolarHBondContact O-N 3.03Å |
| 467 | H | 71.3 | Confident | 62.6 | Low | 45 Ų | 45 | 54.6 Ų | 54.6 | 21% | 0.208 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 172.2 | -63.4 | -39.4 | 0 | 0 | 0 | 111.8 | Y447 M463 V470 F471 A472 | Y447-H467 AromaticContact CE1-ND1 3.87Å; Y447-H467 AromaticContact CZ-ND1 3.82Å; Y447-H467 PolarHBondContact OH-ND1 3.44Å; M463-H467 WeakPolarHBondContact CG-NE2 3.35Å; M463-H467 PolarHBondContact O-CD2 3.45Å; M463-H467 VanDerWaalsContact O-CG 3.28Å; M463-H467 PolarHBondContact O-N 2.82Å; H467-V470 PolarHBondContact O-N 2.88Å; H467-F471 WeakPolarHBondContact O-CA 3.33Å; H467-F471 WeakPolarHBondContact O-CB 3.48Å; H467-F471 PolarHBondContact O-N 2.97Å; H467-A472 PolarHBondContact O-N 2.9Å |
| 468 | M | 65.5 | Low | 60.4 | Low | 16 Ų | 16 | 58.7 Ų | 58.7 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66 | -38.8 | 172.4 | -173.3 | 62.4 | 59.3 | 0 | 0 | 111.8 | L264 N464 N465 Q466 V470 A472 S498 | L264-M468 HydrophobicContact CD1-CG 4.21Å; L264-M468 HydrophobicContact CD2-CB 4.22Å; L264-M468 HydrophobicContact CD2-CG 3.44Å; L264-M468 VanDerWaalsContact CD2-CG 3.44Å; L264-M468 HydrophobicContact CG-CG 4.36Å; N464-M468 VanDerWaalsContact O-CB 3.32Å; N464-M468 WeakPolarHBondContact O-CB 3.35Å; N464-M468 PolarHBondContact O-N 3.08Å; N465-M468 PolarHBondContact O-N 3.26Å; Q466-M468 VanDerWaalsContact C-N 3.27Å; Q466-M468 PolarHBondContact O-N 3.41Å; M468-V470 VanDerWaalsContact C-N 3.28Å; M468-V470 PolarHBondContact O-N 3.15Å; M468-A472 WeakPolarHBondContact CE-O 3.4Å; M468-A472 VanDerWaalsContact O-CA 3.24Å; M468-A472 WeakPolarHBondContact O-CA 3.34Å; M468-A472 PolarHBondContact O-N 3.26Å; M468-A472 WeakPolarHBondContact SD-CA 3.1Å; M468-A472 HydrophobicContact SD-CB 3.8Å; M468-S498 WeakPolarHBondContact O-CB 3.11Å |
| 469 | M | 71.2 | Confident | 58.6 | Low | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -73.6 | -5.5 | 173.7 | -73.8 | -177.8 | 67.8 | 0 | 0 | 115 | Y204 L264 L267 V268 E271 I446 N465 Q466 S498 | Y204-M469 HydrophobicContact CD1-CE 4.45Å; Y204-M469 HydrophobicContact CD2-CE 3.91Å; Y204-M469 HydrophobicContact CE1-CE 4.28Å; Y204-M469 HydrophobicContact CE2-CE 3.71Å; Y204-M469 HydrophobicContact CE2-SD 4.46Å; Y204-M469 HydrophobicContact CG-CE 4.28Å; L264-M469 HydrophobicContact CD1-CG 3.93Å; L267-M469 HydrophobicContact CB-SD 4.42Å; L267-M469 HydrophobicContact CD1-SD 4.44Å; V268-M469 HydrophobicContact CG2-CG 4.07Å; E271-M469 WeakPolarHBondContact OE2-CE 3.05Å; I446-M469 HydrophobicContact CD1-CB 4.31Å; I446-M469 WeakPolarHBondContact CD1-O 3.13Å; I446-M469 HydrophobicContact CG2-CB 4.36Å; N465-M469 WeakPolarHBondContact O-CB 3.23Å; N465-M469 VanDerWaalsContact O-CG 3.27Å; N465-M469 WeakPolarHBondContact O-CG 3.43Å; N465-M469 PolarHBondContact O-N 3.34Å; Q466-M469 CarbonylContact O-C 3.35Å; Q466-M469 WeakPolarHBondContact O-CA 3.34Å; Q466-M469 PolarHBondContact O-N 3.46Å; Q466-M469 VanDerWaalsContact O-N 3.11Å; M469-S498 WeakPolarHBondContact O-CB 3.37Å; M469-S498 PolarHBondContact O-OG 2.88Å |
| 470 | V | 70.3 | Confident | 56.5 | Low | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -113.6 | -48.9 | 171.8 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | R442 V443 I446 Y447 Q466 H467 M468 S498 | R442-V470 HydrophobicContact CG-CG1 4.29Å; V443-V470 HydrophobicContact CG2-CG1 3.95Å; I446-V470 HydrophobicContact CB-CG2 3.83Å; I446-V470 HydrophobicContact CD1-CG2 3.96Å; I446-V470 HydrophobicContact CG1-CG2 4.39Å; I446-V470 HydrophobicContact CG2-CG2 3.78Å; Y447-V470 HydrophobicContact CE2-CG2 3.88Å; Q466-V470 PolarHBondContact O-N 3.03Å; H467-V470 PolarHBondContact O-N 2.88Å; M468-V470 VanDerWaalsContact C-N 3.28Å; M468-V470 PolarHBondContact O-N 3.15Å; V470-S498 VanDerWaalsContact C-CB 3.46Å; V470-S498 VanDerWaalsContact CA-OG 3.26Å; V470-S498 WeakPolarHBondContact CA-OG 3.27Å; V470-S498 VanDerWaalsContact O-CB 3.29Å; V470-S498 WeakPolarHBondContact O-CB 3.37Å; V470-S498 PolarHBondContact O-OG 3.35Å |
| 471 | F | 60 | Low | 54.1 | Low | 61 Ų | 61 | 64.3 Ų | 64.3 | 27% | 0.268 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -116.7 | -0.1 | -170 | -61.4 | -91.5 | 0 | 0 | 0 | 114.5 | F439 H467 G473 F497 | F439-F471 HydrophobicContact CE2-CD1 4.36Å; F439-F471 AromaticContact CE2-CE1 3.47Å; F439-F471 HydrophobicContact CE2-CE1 3.47Å; F439-F471 VanDerWaalsContact CE2-CE1 3.47Å; F439-F471 AromaticContact CE2-CZ 3.94Å; F439-F471 HydrophobicContact CE2-CZ 3.94Å; F439-F471 AromaticContact CZ-CE1 3.63Å; F439-F471 HydrophobicContact CZ-CE1 3.63Å; F439-F471 AromaticContact CZ-CZ 3.76Å; F439-F471 HydrophobicContact CZ-CZ 3.76Å; H467-F471 WeakPolarHBondContact O-CA 3.33Å; H467-F471 WeakPolarHBondContact O-CB 3.48Å; H467-F471 PolarHBondContact O-N 2.97Å; F471-G473 PolarHBondContact O-N 2.95Å; F471-F497 WeakPolarHBondContact O-CD2 3.38Å |
| 472 | A | 51.3 | Low | 51.8 | Low | 28 Ų | 28 | 71.6 Ų | 71.6 | 23% | 0.231 | 39% | 0.387 | C | S | . | . | S | Bend | trans | 47.4 | 22.8 | -162.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | H467 M468 F497 | H467-A472 PolarHBondContact O-N 2.9Å; M468-A472 WeakPolarHBondContact CE-O 3.4Å; M468-A472 VanDerWaalsContact O-CA 3.24Å; M468-A472 WeakPolarHBondContact O-CA 3.34Å; M468-A472 PolarHBondContact O-N 3.26Å; M468-A472 WeakPolarHBondContact SD-CA 3.1Å; M468-A472 HydrophobicContact SD-CB 3.8Å; A472-F497 HydrophobicContact CB-CB 3.29Å; A472-F497 HydrophobicContact CB-CG 4.23Å |
| 473 | G | 34.9 | Very low | 49.5 | Very low | 21 Ų | 21 | 77.8 Ų | 77.8 | 22% | 0.216 | 41% | 0.41 | C | S | . | . | trans | -101.2 | 151.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | F471 | F471-G473 PolarHBondContact O-N 2.95Š| ||
| 474 | K | 31.6 | Very low | 47.4 | Very low | 104 Ų | 104 | 77.8 Ų | 77.8 | 45% | 0.452 | 43% | 0.426 | S | S | . | . | trans | 76.5 | 82 | 163.9 | -159.9 | 177.2 | -174.9 | 175.1 | 0 | 117.4 | ||||
| 475 | Y | 36.5 | Very low | 45.8 | Very low | 93 Ų | 93 | 84.8 Ų | 84.8 | 37% | 0.365 | 45% | 0.45 | S | S | . | . | trans | -84.5 | 124.4 | 153.9 | -135.4 | -95.4 | 0 | 0 | 0 | 109.2 | T477 I549 | Y475-T477 HydrophobicContact CD1-CG2 4.37Å; Y475-I549 HydrophobicContact CD1-CG1 4.4Å; Y475-I549 HydrophobicContact CD2-CD1 3.8Å; Y475-I549 HydrophobicContact CD2-CG1 4.33Å; Y475-I549 HydrophobicContact CG-CD1 3.89Å; Y475-I549 HydrophobicContact CG-CG1 3.91Å | ||
| 476 | R | 36.3 | Very low | 43.7 | Very low | 141 Ų | 141 | 88.5 Ų | 88.5 | 53% | 0.532 | 48% | 0.479 | S | S | . | . | trans | -114.4 | 116.7 | 170 | -166 | 179.4 | -166.3 | 151.1 | 9.2 | 108.9 | D478 | R476-D478 VanDerWaalsContact CD-OD1 3.23Å; R476-D478 WeakPolarHBondContact CD-OD1 3.33Å; R476-D478 WeakPolarHBondContact CG-OD1 3.23Å; R476-D478 IonicContact NE-OD1 3.52Å | ||
| 477 | T | 33.8 | Very low | 41.6 | Very low | 101 Ų | 101 | 98.8 Ų | 98.8 | 62% | 0.62 | 52% | 0.518 | S | S | * | . | trans | -89.4 | 104.1 | 168 | 52.4 | 0 | 0 | 0 | 0 | 108.8 | Y475 C479 | Y475-T477 HydrophobicContact CD1-CG2 4.37Å; T477-C479 VanDerWaalsContact C-N 3.32Å; T477-C479 PolarHBondContact O-N 3.13Å | ||
| 478 | D | 30.5 | Very low | 39.7 | Very low | 126 Ų | 126 | 103.3 Ų | 103.3 | 67% | 0.674 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -75.3 | 81.5 | -179.6 | -62.4 | -46.4 | 0 | 0 | 0 | 110.9 | R476 | R476-D478 VanDerWaalsContact CD-OD1 3.23Å; R476-D478 WeakPolarHBondContact CD-OD1 3.33Å; R476-D478 WeakPolarHBondContact CG-OD1 3.23Å; R476-D478 IonicContact NE-OD1 3.52Å |
| 479 | C | 30.1 | Very low | 37.9 | Very low | 124 Ų | 124 | 109.2 Ų | 109.2 | 84% | 0.838 | 58% | 0.578 | S | S | * | * | trans | -163.5 | 40.8 | 176.1 | -119.9 | 0 | 0 | 0 | 0 | 113.4 | T477 | T477-C479 VanDerWaalsContact C-N 3.32Å; T477-C479 PolarHBondContact O-N 3.13Å | ||
| 480 | V | 31.5 | Very low | 35.9 | Very low | 121 Ų | 121 | 115.2 Ų | 115.2 | 73% | 0.733 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -141.8 | 132.1 | 173.7 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 481 | P | 30.7 | Very low | 34 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 75% | 0.753 | 65% | 0.648 | S | S | * | * | trans | -70.2 | 165.8 | -179.6 | 28.2 | -34.7 | 0 | 0 | 0 | 114 | ||||
| 482 | I | 30.5 | Very low | 32.6 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 80% | 0.8 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -97.1 | 98.2 | -163.7 | -57 | 159.8 | 0 | 0 | 0 | 110.5 | ||
| 483 | Q | 30.4 | Very low | 31.7 | Very low | 195 Ų | 195 | 131.3 Ų | 131.3 | 91% | 0.911 | 70% | 0.695 | S | S | * | * | trans | -158.6 | 6.6 | 173.6 | -120.7 | 160.4 | 8.5 | 0 | 0 | 118.2 | ||||
| 484 | A | 31.5 | Very low | 31.7 | Very low | 96 Ų | 96 | 134.8 Ų | 134.8 | 79% | 0.793 | 71% | 0.705 | S | S | * | * | trans | -132.5 | 25.8 | -169.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 485 | Y | 33.3 | Very low | 31.9 | Very low | 193 Ų | 193 | 133 Ų | 133 | 76% | 0.757 | 70% | 0.701 | S | S | * | * | trans | -105.9 | 90.3 | -176.8 | -73.3 | -88.1 | 0 | 0 | 0 | 112.6 | ||||
| 486 | S | 28.7 | Very low | 32.1 | Very low | 107 Ų | 107 | 129.5 Ų | 129.5 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -146.5 | -1.2 | 170 | -138.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 487 | Y | 33.3 | Very low | 32.8 | Very low | 228 Ų | 228 | 123.3 Ų | 123.3 | 89% | 0.894 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -129.1 | 18.2 | -170.7 | -77.7 | -76.2 | 0 | 0 | 0 | 115.6 | ||
| 488 | V | 31.5 | Very low | 33.1 | Very low | 141 Ų | 141 | 118.8 Ų | 118.8 | 86% | 0.855 | 64% | 0.637 | S | S | * | * | trans | -130.9 | 77.3 | 176.9 | -168.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 489 | M | 27.6 | Very low | 34 | Very low | 140 Ų | 140 | 113 Ų | 113 | 69% | 0.69 | 61% | 0.608 | S | S | * | * | trans | -134.8 | 11.5 | 179.9 | -129.8 | -72.8 | -170.2 | 0 | 0 | 112.6 | K492 | M489-K492 PolarHBondContact SD-NZ 2.99Š| ||
| 490 | V | 30 | Very low | 35.2 | Very low | 128 Ų | 128 | 107.6 Ų | 107.6 | 78% | 0.776 | 57% | 0.57 | S | S | * | * | trans | -124.2 | 148 | -175.6 | -173.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 491 | I | 30.8 | Very low | 36.5 | Very low | 136 Ų | 136 | 102.5 Ų | 102.5 | 70% | 0.697 | 54% | 0.537 | S | S | * | . | trans | 69.9 | 113 | -157.1 | -51.2 | 175.2 | 0 | 0 | 0 | 110.2 | ||||
| 492 | K | 29.6 | Very low | 38.2 | Very low | 160 Ų | 160 | 97 Ų | 97 | 70% | 0.696 | 50% | 0.503 | S | S | * | . | trans | -148.9 | 16 | -163.6 | -135.3 | 167.9 | -175.7 | 169.3 | 0 | 113.2 | M489 | M489-K492 PolarHBondContact SD-NZ 2.99Š| ||
| 493 | V | 32.2 | Very low | 40.3 | Very low | 130 Ų | 130 | 89.6 Ų | 89.6 | 79% | 0.788 | 46% | 0.464 | S | S | * | . | trans | -138 | 85.9 | -174.3 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 494 | E | 35.2 | Very low | 42.7 | Very low | 95 Ų | 95 | 80.6 Ų | 80.6 | 44% | 0.444 | 42% | 0.422 | S | S | . | . | trans | -127.8 | 135.4 | 179.4 | -66.2 | 178.2 | 156.7 | 0 | 0 | 108.5 | M543 | E494-M543 HydrophobicContact CB-SD 4.47Å; E494-M543 HydrophobicContact CG-CE 4.37Å; E494-M543 HydrophobicContact CG-SD 4.47Å; E494-M543 WeakPolarHBondContact OE1-CE 3.33Å | ||
| 495 | L | 35.6 | Very low | 45.2 | Very low | 67 Ų | 67 | 76 Ų | 76 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | trans | -91.2 | -171.4 | -151.9 | -82.1 | 156.4 | 0 | 0 | 0 | 114.8 | F497 F531 V535 | L495-F497 WeakPolarHBondContact O-CD2 3.07Å; L495-F497 PolarHBondContact O-N 2.97Å; L495-F497 VanDerWaalsContact O-N 3.09Å; L495-F531 HydrophobicContact CD1-CE1 4.1Å; L495-F531 HydrophobicContact CD1-CZ 3.92Å; L495-V535 HydrophobicContact CD1-CG1 4.1Å | ||
| 496 | Q | 42.3 | Very low | 47.7 | Very low | 19 Ų | 19 | 66.9 Ų | 66.9 | 9% | 0.089 | 35% | 0.349 | C | S | . | . | trans | -86.5 | 71.3 | -168.5 | -172.3 | 148.8 | -73.2 | 0 | 0 | 113.3 | I438 R442 S498 N536 | I438-Q496 PolarHBondContact O-NE2 2.97Å; R442-Q496 HydrophobicContact CG-CG 4.37Å; Q496-S498 VanDerWaalsContact C-N 3.31Å; Q496-S498 PolarHBondContact O-N 2.98Å; Q496-N536 PolarHBondContact O-ND2 3.3Å | ||
| 497 | F | 49.5 | Very low | 50.3 | Low | 11 Ų | 11 | 61.8 Ų | 61.8 | 5% | 0.048 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -13.1 | -175.4 | -67.8 | -92.4 | 0 | 0 | 0 | 115.9 | I251 F471 A472 L495 G499 N536 L539 A540 M543 | I251-F497 WeakPolarHBondContact CD1-O 3.09Å; F471-F497 WeakPolarHBondContact O-CD2 3.38Å; A472-F497 HydrophobicContact CB-CB 3.29Å; A472-F497 HydrophobicContact CB-CG 4.23Å; L495-F497 WeakPolarHBondContact O-CD2 3.07Å; L495-F497 PolarHBondContact O-N 2.97Å; L495-F497 VanDerWaalsContact O-N 3.09Å; F497-G499 VanDerWaalsContact C-N 3.35Å; F497-G499 PolarHBondContact O-N 2.67Å; F497-N536 HydrophobicContact CD1-CB 3.59Å; F497-N536 VanDerWaalsContact CD1-O 3.24Å; F497-N536 WeakPolarHBondContact CD1-O 3.41Å; F497-N536 VanDerWaalsContact CE1-CA 3.48Å; F497-N536 HydrophobicContact CE1-CB 3.92Å; F497-N536 WeakPolarHBondContact CE1-O 3.43Å; F497-N536 HydrophobicContact CG-CB 4.22Å; F497-L539 HydrophobicContact CE1-CB 3.62Å; F497-L539 HydrophobicContact CZ-CB 3.59Å; F497-L539 HydrophobicContact CZ-CD1 4.31Å; F497-A540 HydrophobicContact CD1-CB 4.23Å; F497-A540 HydrophobicContact CE1-CB 4.42Å; F497-M543 HydrophobicContact CD2-CG 4.49Å; F497-M543 HydrophobicContact CE1-CG 4.08Å; F497-M543 HydrophobicContact CE2-CG 3.84Å; F497-M543 HydrophobicContact CE2-SD 4.17Å; F497-M543 HydrophobicContact CZ-CG 3.62Å; F497-M543 HydrophobicContact CZ-SD 4.33Å |
| 498 | S | 40.8 | Very low | 52.7 | Low | 5 Ų | 5 | 51.5 Ų | 51.5 | 4% | 0.035 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -8.5 | -173.7 | 67.4 | 0 | 0 | 0 | 0 | 116.2 | I251 R442 M468 M469 V470 Q496 | I251-S498 WeakPolarHBondContact CD1-O 3.45Å; R442-S498 PolarHBondContact NE-OG 3.3Å; R442-S498 PolarHBondContact NH2-O 2.85Å; M468-S498 WeakPolarHBondContact O-CB 3.11Å; M469-S498 WeakPolarHBondContact O-CB 3.37Å; M469-S498 PolarHBondContact O-OG 2.88Å; V470-S498 VanDerWaalsContact C-CB 3.46Å; V470-S498 VanDerWaalsContact CA-OG 3.26Å; V470-S498 WeakPolarHBondContact CA-OG 3.27Å; V470-S498 VanDerWaalsContact O-CB 3.29Å; V470-S498 WeakPolarHBondContact O-CB 3.37Å; V470-S498 PolarHBondContact O-OG 3.35Å; Q496-S498 VanDerWaalsContact C-N 3.31Å; Q496-S498 PolarHBondContact O-N 2.98Å |
| 499 | G | 48.9 | Very low | 55.4 | Low | 6 Ų | 6 | 44.9 Ų | 44.9 | 6% | 0.062 | 23% | 0.234 | C | C | . | . | trans | -147.3 | 63.1 | -172 | 0 | 0 | 0 | 0 | 0 | 108.8 | F497 R501 | F497-G499 VanDerWaalsContact C-N 3.35Å; F497-G499 PolarHBondContact O-N 2.67Å; G499-R501 PolarHBondContact O-N 3.03Å | ||
| 500 | L | 55.3 | Low | 58.1 | Low | 9 Ų | 9 | 39.5 Ų | 39.5 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | trans | -53.3 | 128.5 | 165.6 | -82.6 | 179.6 | 0 | 0 | 0 | 107.7 | D247 T250 I251 T532 N536 | D247-L500 PolarHBondContact N-O 2.87Å; T250-L500 HydrophobicContact CG2-CD1 3.49Å; T250-L500 VanDerWaalsContact CG2-CD1 3.49Å; I251-L500 HydrophobicContact CD1-CB 4.18Å; I251-L500 HydrophobicContact CD1-CG 4.33Å; I251-L500 HydrophobicContact CG1-CB 4.04Å; I251-L500 HydrophobicContact CG1-CD1 3.76Å; I251-L500 HydrophobicContact CG1-CG 3.92Å; L500-T532 VanDerWaalsContact CD2-C 3.47Å; L500-T532 WeakPolarHBondContact CD2-O 3.33Å; L500-N536 HydrophobicContact CD2-CB 3.74Å | ||
| 501 | R | 59.8 | Low | 60.5 | Low | 14 Ų | 14 | 41 Ų | 41 | 5% | 0.053 | 20% | 0.199 | C | C | . | . | trans | -103.2 | 96.3 | 175.6 | -78.5 | 163.1 | 172.8 | 174.1 | -3.5 | 106.5 | I243 G499 I528 V529 T532 | I243-R501 VanDerWaalsContact CG1-CZ 3.49Å; I243-R501 VanDerWaalsContact CG1-NH1 3.33Å; I243-R501 PolarHBondContact O-NE 2.84Å; I243-R501 PolarHBondContact O-NH2 3.33Å; G499-R501 PolarHBondContact O-N 3.03Å; R501-I528 HydrophobicContact CB-CG2 4.49Å; R501-V529 HydrophobicContact CB-CG2 4.44Å; R501-V529 VanDerWaalsContact O-CA 3.25Å; R501-V529 WeakPolarHBondContact O-CA 3.42Å; R501-V529 WeakPolarHBondContact O-CB 3.44Å; R501-V529 WeakPolarHBondContact O-CG1 3.07Å; R501-V529 WeakPolarHBondContact O-CG2 3.36Å; R501-T532 PolarHBondContact N-OG1 2.93Å; R501-T532 PolarHBondContact O-OG1 2.61Å | ||
| 502 | G | 66.4 | Low | 62.8 | Low | 2 Ų | 2 | 36.8 Ų | 36.8 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | trans | -90.9 | -138.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | D247 M504 | D247-G502 VanDerWaalsContact CB-N 3.3Å; D247-G502 WeakPolarHBondContact OD2-CA 3.47Å; G502-M504 VanDerWaalsContact C-N 3.33Å; G502-M504 PolarHBondContact O-N 3.21Å | ||
| 503 | A | 74.5 | Confident | 65.3 | Low | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.4 | -25.6 | -158.3 | 0 | 0 | 0 | 0 | 0 | 115 | F173 D247 I410 I414 F506 A507 | F173-A503 HydrophobicContact CD2-CB 3.99Å; F173-A503 HydrophobicContact CE1-CB 4.47Å; F173-A503 HydrophobicContact CE2-CB 3.25Å; F173-A503 HydrophobicContact CZ-CB 3.54Å; D247-A503 PolarHBondContact OD2-N 2.99Å; I410-A503 HydrophobicContact CG2-CB 3.39Å; I414-A503 HydrophobicContact CD1-CB 3.76Å; A503-F506 WeakPolarHBondContact O-CB 3.44Å; A503-F506 PolarHBondContact O-N 3.37Å; A503-A507 WeakPolarHBondContact O-CB 3.28Å; A503-A507 PolarHBondContact O-N 3.01Å |
| 504 | M | 80 | Confident | 67.5 | Low | 5 Ų | 5 | 30.2 Ų | 30.2 | 3% | 0.025 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.9 | -52 | -179.2 | -79 | -73.4 | -175.6 | 0 | 0 | 113.6 | F173 F174 L178 A245 D276 I369 G502 F506 A507 L508 | F173-M504 HydrophobicContact CE1-CE 4.24Å; F173-M504 HydrophobicContact CE1-CG 4.39Å; F173-M504 HydrophobicContact CE1-SD 3.87Å; F173-M504 HydrophobicContact CZ-CE 4.3Å; F173-M504 HydrophobicContact CZ-CG 4.23Å; F173-M504 HydrophobicContact CZ-SD 4.21Å; F174-M504 HydrophobicContact CE1-CE 4.31Å; F174-M504 HydrophobicContact CE1-SD 3.71Å; F174-M504 HydrophobicContact CZ-SD 4.45Å; L178-M504 HydrophobicContact CD1-CE 3.57Å; L178-M504 HydrophobicContact CD2-CE 3.26Å; L178-M504 HydrophobicContact CG-CE 4.03Å; A245-M504 HydrophobicContact CB-CB 3.89Å; D276-M504 HydrophobicContact CB-CE 3.91Å; D276-M504 HydrophobicContact CB-CG 4.31Å; D276-M504 HydrophobicContact CB-SD 3.99Å; D276-M504 WeakPolarHBondContact OD2-CE 3.46Å; D276-M504 WeakPolarHBondContact OD2-CG 3.3Å; I369-M504 HydrophobicContact CD1-CE 4.12Å; G502-M504 VanDerWaalsContact C-N 3.33Å; G502-M504 PolarHBondContact O-N 3.21Å; M504-F506 VanDerWaalsContact C-N 3.26Å; M504-F506 PolarHBondContact O-N 2.67Å; M504-A507 PolarHBondContact O-N 2.92Å; M504-L508 WeakPolarHBondContact O-CG 3.34Å; M504-L508 PolarHBondContact O-N 3.4Å |
| 505 | A | 84.3 | Confident | 69.8 | Low | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.008 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | M242 I243 A509 T525 | M242-A505 WeakPolarHBondContact O-CB 3.49Å; I243-A505 HydrophobicContact CD1-CB 4.29Å; A505-A509 VanDerWaalsContact O-CB 3.27Å; A505-A509 WeakPolarHBondContact O-CB 3.44Å; A505-A509 PolarHBondContact O-N 3.44Å; A505-T525 HydrophobicContact CB-CG2 3.82Å; A505-T525 WeakPolarHBondContact O-CG2 3.42Å |
| 506 | F | 85.2 | Confident | 72.2 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.8 | -49.5 | 176.5 | -169.5 | -89.1 | 0 | 0 | 0 | 112.2 | F168 I414 A503 M504 L508 A509 I510 Y522 S526 V529 | F168-F506 HydrophobicContact CB-CD1 4.48Å; F168-F506 HydrophobicContact CB-CE1 3.64Å; F168-F506 AromaticContact CD1-CD1 3.97Å; F168-F506 HydrophobicContact CD1-CD1 3.97Å; F168-F506 AromaticContact CD1-CE1 3.95Å; F168-F506 HydrophobicContact CD1-CE1 3.95Å; F168-F506 HydrophobicContact CD2-CD1 4.14Å; F168-F506 AromaticContact CD2-CE1 3.94Å; F168-F506 HydrophobicContact CD2-CE1 3.94Å; F168-F506 HydrophobicContact CE1-CD1 4.13Å; F168-F506 HydrophobicContact CE2-CD1 4.28Å; F168-F506 AromaticContact CG-CD1 3.97Å; F168-F506 HydrophobicContact CG-CD1 3.97Å; F168-F506 AromaticContact CG-CE1 3.61Å; F168-F506 HydrophobicContact CG-CE1 3.61Å; F168-F506 HydrophobicContact CZ-CD1 4.26Å; I414-F506 HydrophobicContact CG1-CD1 4.02Å; I414-F506 HydrophobicContact CG1-CE1 4.34Å; I414-F506 HydrophobicContact CG1-CG 4.23Å; I414-F506 HydrophobicContact CG2-CD2 3.99Å; I414-F506 HydrophobicContact CG2-CE2 4.02Å; I414-F506 HydrophobicContact CG2-CG 4.32Å; I414-F506 HydrophobicContact CG2-CZ 4.38Å; A503-F506 WeakPolarHBondContact O-CB 3.44Å; A503-F506 PolarHBondContact O-N 3.37Å; M504-F506 VanDerWaalsContact C-N 3.26Å; M504-F506 PolarHBondContact O-N 2.67Å; F506-L508 VanDerWaalsContact C-N 3.32Å; F506-L508 PolarHBondContact O-N 3.16Å; F506-A509 PolarHBondContact O-N 3.48Å; F506-A509 VanDerWaalsContact O-N 3.15Å; F506-I510 HydrophobicContact CE1-CD1 4.3Å; F506-I510 PolarHBondContact O-N 3.41Å; F506-Y522 HydrophobicContact CE1-CE2 4.42Å; F506-Y522 AromaticContact CE2-CE2 3.93Å; F506-Y522 HydrophobicContact CE2-CE2 3.93Å; F506-Y522 AromaticContact CZ-CE2 3.86Å; F506-Y522 HydrophobicContact CZ-CE2 3.86Å; F506-S526 VanDerWaalsContact CE2-OG 3.28Å; F506-S526 WeakPolarHBondContact CE2-OG 3.15Å; F506-V529 HydrophobicContact CB-CG2 4.34Å |
| 507 | A | 83.9 | Confident | 74.3 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.4 | -35 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F168 F173 F174 A503 M504 | F168-A507 HydrophobicContact CE1-CB 3.75Å; F168-A507 HydrophobicContact CZ-CB 4.24Å; F173-A507 HydrophobicContact CD1-CB 3.39Å; F173-A507 HydrophobicContact CE1-CB 3.76Å; F173-A507 HydrophobicContact CG-CB 4.15Å; F174-A507 HydrophobicContact CE2-CB 3.94Å; F174-A507 HydrophobicContact CZ-CB 3.94Å; A503-A507 WeakPolarHBondContact O-CB 3.28Å; A503-A507 PolarHBondContact O-N 3.01Å; M504-A507 PolarHBondContact O-N 2.92Å |
| 508 | L | 84.4 | Confident | 76.1 | Confident | 13 Ų | 13 | 28.2 Ų | 28.2 | 7% | 0.068 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.7 | -42.7 | 171.7 | -70 | 176.7 | 0 | 0 | 0 | 112 | F174 M242 I280 M504 F506 | F174-L508 HydrophobicContact CZ-CD2 4.12Å; F174-L508 HydrophobicContact CZ-CG 4.45Å; M242-L508 HydrophobicContact CB-CB 4.37Å; M242-L508 HydrophobicContact CG-CB 4.09Å; I280-L508 HydrophobicContact CG1-CD2 4.04Å; M504-L508 WeakPolarHBondContact O-CG 3.34Å; M504-L508 PolarHBondContact O-N 3.4Å; F506-L508 VanDerWaalsContact C-N 3.32Å; F506-L508 PolarHBondContact O-N 3.16Å |
| 509 | A | 86.4 | Confident | 78.4 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -75.5 | -25.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | M242 A505 F506 Y522 T525 | M242-A509 HydrophobicContact SD-CB 4.03Å; A505-A509 VanDerWaalsContact O-CB 3.27Å; A505-A509 WeakPolarHBondContact O-CB 3.44Å; A505-A509 PolarHBondContact O-N 3.44Å; F506-A509 PolarHBondContact O-N 3.48Å; F506-A509 VanDerWaalsContact O-N 3.15Å; A509-Y522 HydrophobicContact CB-CD2 4.35Å; A509-T525 HydrophobicContact CB-CG2 3.94Å |
| 510 | I | 85 | Confident | 80.4 | Confident | 27 Ų | 27 | 32.6 Ų | 32.6 | 14% | 0.138 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -79.5 | -27.2 | 175.7 | -160.5 | 167.2 | 0 | 0 | 0 | 113 | F168 F506 N512 Y522 | F168-I510 HydrophobicContact CB-CD1 4.05Å; F168-I510 HydrophobicContact CD1-CG2 4.15Å; F506-I510 HydrophobicContact CE1-CD1 4.3Å; F506-I510 PolarHBondContact O-N 3.41Å; I510-N512 PolarHBondContact O-N 2.95Å; I510-N512 VanDerWaalsContact O-N 3.1Å; I510-Y522 HydrophobicContact CB-CD2 3.93Å; I510-Y522 HydrophobicContact CB-CE2 3.68Å; I510-Y522 HydrophobicContact CD1-CE2 3.88Å; I510-Y522 HydrophobicContact CG1-CD2 4.24Å; I510-Y522 HydrophobicContact CG1-CE2 3.73Å |
| 511 | R | 80.6 | Confident | 82.1 | Confident | 161 Ų | 161 | 32.2 Ų | 32.2 | 61% | 0.608 | 17% | 0.17 | S | C | * | . | S | Bend | trans | -55.4 | -30.5 | -176.3 | -177.7 | 178.9 | 176.2 | 165.5 | 3.9 | 113.9 | ||
| 512 | N | 78.5 | Confident | 83.5 | Confident | 46 Ų | 46 | 31.6 Ų | 31.6 | 25% | 0.246 | 17% | 0.167 | C | C | . | . | trans | -136 | 105.8 | 177.3 | 177.3 | 4.7 | 0 | 0 | 0 | 109.1 | E287 I510 S514 M518 | E287-N512 PolarHBondContact OE1-ND2 2.95Å; I510-N512 PolarHBondContact O-N 2.95Å; I510-N512 VanDerWaalsContact O-N 3.1Å; N512-S514 WeakPolarHBondContact OD1-CB 3.24Å; N512-S514 PolarHBondContact OD1-N 3.1Å; N512-S514 PolarHBondContact OD1-OG 3.05Å; N512-M518 HydrophobicContact CB-CE 3.95Å; N512-M518 WeakPolarHBondContact O-CB 3.34Å; N512-M518 WeakPolarHBondContact O-CE 3.48Å | ||
| 513 | T | 82.1 | Confident | 84.6 | Confident | 49 Ų | 49 | 31.5 Ų | 31.5 | 30% | 0.301 | 17% | 0.166 | S | C | . | . | trans | -120 | 24.9 | 177.6 | 47.2 | 0 | 0 | 0 | 0 | 111.8 | A423 R519 Y522 | A423-T513 HydrophobicContact CB-CG2 4.32Å; T513-R519 WeakPolarHBondContact O-CG 3.4Å; T513-Y522 HydrophobicContact CG2-CD1 4.18Å; T513-Y522 HydrophobicContact CG2-CG 4.04Å | ||
| 514 | S | 78.9 | Confident | 85.4 | Confident | 104 Ų | 104 | 31.5 Ų | 31.5 | 73% | 0.727 | 17% | 0.166 | S | C | * | . | trans | -69.7 | -37.2 | -168.7 | 58.8 | 0 | 0 | 0 | 0 | 115 | N512 | N512-S514 WeakPolarHBondContact OD1-CB 3.24Å; N512-S514 PolarHBondContact OD1-N 3.1Å; N512-S514 PolarHBondContact OD1-OG 3.05Å | ||
| 515 | S | 83.7 | Confident | 85.8 | Confident | 35 Ų | 35 | 31.2 Ų | 31.2 | 25% | 0.245 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -102.1 | 165.3 | 177.2 | 81.6 | 0 | 0 | 0 | 0 | 112.7 | Q517 M518 R519 | S515-Q517 VanDerWaalsContact C-N 3.29Å; S515-Q517 PolarHBondContact O-N 2.8Å; S515-Q517 PolarHBondContact OG-N 2.88Å; S515-Q517 PolarHBondContact OG-OE1 3.07Å; S515-Q517 VanDerWaalsContact OG-OE1 3.1Å; S515-M518 PolarHBondContact O-N 2.87Å; S515-M518 WeakPolarHBondContact OG-CG 3.25Å; S515-M518 PolarHBondContact OG-N 2.91Å; S515-R519 WeakPolarHBondContact O-CG 3.37Å; S515-R519 PolarHBondContact O-N 3.49Å |
| 516 | S | 85.2 | Confident | 85.9 | Confident | 67 Ų | 67 | 31.2 Ų | 31.2 | 47% | 0.469 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.1 | -35 | 173.3 | 49.8 | 0 | 0 | 0 | 0 | 112 | R519 I520 | S516-R519 PolarHBondContact O-N 3.3Å; S516-I520 WeakPolarHBondContact O-CG1 3.37Å; S516-I520 PolarHBondContact O-N 3.32Å |
| 517 | Q | 87.1 | Confident | 86.1 | Confident | 37 Ų | 37 | 33.8 Ų | 33.8 | 17% | 0.173 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.4 | -50.3 | 172.1 | -62.7 | 86.7 | -15.9 | 0 | 0 | 111 | P230 F231 E235 S515 R519 I520 M521 | P230-Q517 WeakPolarHBondContact O-CG 3.38Å; P230-Q517 PolarHBondContact O-NE2 3.38Å; F231-Q517 HydrophobicContact CD1-CB 3.95Å; F231-Q517 HydrophobicContact CD1-CG 4Å; F231-Q517 HydrophobicContact CD2-CG 4.45Å; F231-Q517 HydrophobicContact CE1-CB 3.57Å; F231-Q517 HydrophobicContact CE1-CG 3.99Å; F231-Q517 HydrophobicContact CE2-CG 4.43Å; F231-Q517 HydrophobicContact CG-CG 4.24Å; F231-Q517 HydrophobicContact CZ-CB 3.99Å; F231-Q517 HydrophobicContact CZ-CG 4.21Å; E235-Q517 WeakPolarHBondContact OE1-CB 3.05Å; E235-Q517 WeakPolarHBondContact OE1-CG 3.3Å; S515-Q517 VanDerWaalsContact C-N 3.29Å; S515-Q517 PolarHBondContact O-N 2.8Å; S515-Q517 PolarHBondContact OG-N 2.88Å; S515-Q517 PolarHBondContact OG-OE1 3.07Å; S515-Q517 VanDerWaalsContact OG-OE1 3.1Å; Q517-R519 VanDerWaalsContact C-N 3.31Å; Q517-R519 PolarHBondContact O-N 3.09Å; Q517-I520 PolarHBondContact O-N 3.36Å; Q517-I520 VanDerWaalsContact O-N 3.16Å; Q517-M521 WeakPolarHBondContact O-CG 3.16Å; Q517-M521 PolarHBondContact O-N 2.93Å |
| 518 | M | 87.5 | Confident | 86.2 | Confident | 10 Ų | 10 | 33.8 Ų | 33.8 | 5% | 0.049 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.6 | -42.2 | 177 | -66.9 | -52.1 | -59.4 | 0 | 0 | 111.8 | L238 M242 N512 S515 I520 M521 Y522 | L238-M518 HydrophobicContact CD2-CE 4.04Å; L238-M518 HydrophobicContact CD2-SD 4.06Å; M242-M518 HydrophobicContact CE-CE 4.5Å; N512-M518 HydrophobicContact CB-CE 3.95Å; N512-M518 WeakPolarHBondContact O-CB 3.34Å; N512-M518 WeakPolarHBondContact O-CE 3.48Å; S515-M518 PolarHBondContact O-N 2.87Å; S515-M518 WeakPolarHBondContact OG-CG 3.25Å; S515-M518 PolarHBondContact OG-N 2.91Å; M518-I520 PolarHBondContact O-N 3.5Å; M518-M521 HydrophobicContact CE-CE 4.07Å; M518-M521 HydrophobicContact CG-CE 4.34Å; M518-M521 PolarHBondContact O-N 3.4Å; M518-M521 HydrophobicContact SD-CE 3.26Å; M518-M521 WeakPolarHBondContact SD-CE 3.12Å; M518-Y522 WeakPolarHBondContact O-CB 3.5Å; M518-Y522 PolarHBondContact O-N 3.21Å |
| 519 | R | 89.1 | Confident | 86.2 | Confident | 81 Ų | 81 | 33.2 Ų | 33.2 | 31% | 0.306 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.7 | -38 | 175.9 | -73.1 | 176.2 | 63.8 | 178.1 | 3.6 | 113.4 | Q422 A423 L425 T513 S515 S516 Q517 S523 | Q422-R519 PolarHBondContact O-NH2 3.39Å; A423-R519 WeakPolarHBondContact O-CB 3.37Å; A423-R519 WeakPolarHBondContact O-CG 3.21Å; A423-R519 PolarHBondContact O-NE 2.89Å; A423-R519 PolarHBondContact O-NH2 3.46Å; L425-R519 HydrophobicContact CB-CB 4.35Å; L425-R519 HydrophobicContact CD1-CB 3.85Å; L425-R519 HydrophobicContact CG-CB 4.12Å; T513-R519 WeakPolarHBondContact O-CG 3.4Å; S515-R519 WeakPolarHBondContact O-CG 3.37Å; S515-R519 PolarHBondContact O-N 3.49Å; S516-R519 PolarHBondContact O-N 3.3Å; Q517-R519 VanDerWaalsContact C-N 3.31Å; Q517-R519 PolarHBondContact O-N 3.09Å; R519-S523 WeakPolarHBondContact O-CB 3.29Å; R519-S523 PolarHBondContact O-N 2.96Å; R519-S523 PolarHBondContact O-OG 3.3Å |
| 520 | I | 90.7 | Very high | 86 | Confident | 23 Ų | 23 | 34 Ų | 34 | 12% | 0.118 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 173.6 | -69.3 | 163.5 | 0 | 0 | 0 | 110.8 | F231 L425 N427 F430 S516 Q517 M518 S523 T524 | F231-I520 HydrophobicContact CE2-CD1 4.4Å; F231-I520 HydrophobicContact CZ-CB 4.11Å; F231-I520 HydrophobicContact CZ-CD1 4.28Å; F231-I520 HydrophobicContact CZ-CG2 3.97Å; L425-I520 HydrophobicContact CB-CG1 3.94Å; L425-I520 WeakPolarHBondContact O-CA 3.47Å; N427-I520 HydrophobicContact CB-CG2 3.95Å; F430-I520 HydrophobicContact CB-CG2 4.16Å; F430-I520 HydrophobicContact CD1-CG2 3.94Å; F430-I520 HydrophobicContact CD2-CG2 4.32Å; F430-I520 HydrophobicContact CE1-CG2 4.42Å; F430-I520 HydrophobicContact CG-CG2 3.89Å; S516-I520 WeakPolarHBondContact O-CG1 3.37Å; S516-I520 PolarHBondContact O-N 3.32Å; Q517-I520 PolarHBondContact O-N 3.36Å; Q517-I520 VanDerWaalsContact O-N 3.16Å; M518-I520 PolarHBondContact O-N 3.5Å; I520-S523 PolarHBondContact O-N 2.94Å; I520-T524 WeakPolarHBondContact O-CB 3.4Å; I520-T524 PolarHBondContact O-N 2.92Å; I520-T524 PolarHBondContact O-OG1 3.21Å |
| 521 | M | 90.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.7 | -48.5 | 177.2 | -70.3 | -173.3 | -66.9 | 0 | 0 | 111.8 | F231 E235 F239 M242 F430 Q517 M518 S523 T524 T525 | F231-M521 HydrophobicContact CE1-CE 4.38Å; F231-M521 HydrophobicContact CE1-CG 3.93Å; F231-M521 HydrophobicContact CE1-SD 4.05Å; E235-M521 HydrophobicContact CB-CE 4.23Å; E235-M521 VanDerWaalsContact O-SD 3.38Å; F239-M521 HydrophobicContact CB-CG 4.35Å; F239-M521 HydrophobicContact CB-SD 3.66Å; F239-M521 HydrophobicContact CD2-CB 3.91Å; F239-M521 HydrophobicContact CD2-CG 3.83Å; F239-M521 HydrophobicContact CD2-SD 4.21Å; F239-M521 HydrophobicContact CE2-CB 4.47Å; F239-M521 HydrophobicContact CG-CG 4.38Å; F239-M521 HydrophobicContact CG-SD 4.32Å; M242-M521 HydrophobicContact CE-CB 4.21Å; M242-M521 HydrophobicContact CE-SD 4.29Å; F430-M521 HydrophobicContact CE1-CG 4.07Å; F430-M521 HydrophobicContact CZ-CG 3.72Å; F430-M521 HydrophobicContact CZ-SD 4.48Å; Q517-M521 WeakPolarHBondContact O-CG 3.16Å; Q517-M521 PolarHBondContact O-N 2.93Å; M518-M521 HydrophobicContact CE-CE 4.07Å; M518-M521 HydrophobicContact CG-CE 4.34Å; M518-M521 PolarHBondContact O-N 3.4Å; M518-M521 HydrophobicContact SD-CE 3.26Å; M518-M521 WeakPolarHBondContact SD-CE 3.12Å; M521-S523 VanDerWaalsContact C-N 3.34Å; M521-S523 PolarHBondContact O-N 2.88Å; M521-T524 PolarHBondContact O-N 3.28Å; M521-T525 WeakPolarHBondContact O-CB 3.39Å; M521-T525 PolarHBondContact O-N 2.89Å; M521-T525 PolarHBondContact O-OG1 2.99Å; M521-T525 VanDerWaalsContact O-OG1 3.1Å |
| 522 | Y | 89 | Confident | 85.8 | Confident | 1 Ų | 1 | 29.3 Ų | 29.3 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -53.9 | -47.6 | 172.4 | 168.2 | -115.1 | 0 | 0 | 0 | 112.5 | S421 A423 H424 F506 A509 I510 T513 M518 T524 T525 S526 | S421-Y522 WeakPolarHBondContact OG-CE1 3.39Å; S421-Y522 PolarHBondContact OG-OH 3.3Å; A423-Y522 HydrophobicContact CB-CD1 4.07Å; A423-Y522 HydrophobicContact CB-CE1 4Å; H424-Y522 AromaticContact CE1-CD1 3.74Å; H424-Y522 AromaticContact CE1-CE1 3.15Å; H424-Y522 WeakPolarHBondContact CE1-CE1 3.36Å; H424-Y522 AromaticContact CE1-CZ 3.6Å; H424-Y522 AromaticContact ND1-CD1 3.84Å; H424-Y522 AromaticContact ND1-CE1 3.6Å; H424-Y522 AromaticContact NE2-CE1 3.59Å; H424-Y522 AromaticContact NE2-CZ 3.89Å; F506-Y522 HydrophobicContact CE1-CE2 4.42Å; F506-Y522 AromaticContact CE2-CE2 3.93Å; F506-Y522 HydrophobicContact CE2-CE2 3.93Å; F506-Y522 AromaticContact CZ-CE2 3.86Å; F506-Y522 HydrophobicContact CZ-CE2 3.86Å; A509-Y522 HydrophobicContact CB-CD2 4.35Å; I510-Y522 HydrophobicContact CB-CD2 3.93Å; I510-Y522 HydrophobicContact CB-CE2 3.68Å; I510-Y522 HydrophobicContact CD1-CE2 3.88Å; I510-Y522 HydrophobicContact CG1-CD2 4.24Å; I510-Y522 HydrophobicContact CG1-CE2 3.73Å; T513-Y522 HydrophobicContact CG2-CD1 4.18Å; T513-Y522 HydrophobicContact CG2-CG 4.04Å; M518-Y522 WeakPolarHBondContact O-CB 3.5Å; M518-Y522 PolarHBondContact O-N 3.21Å; Y522-T524 VanDerWaalsContact C-N 3.34Å; Y522-T524 PolarHBondContact O-N 3.22Å; Y522-T525 PolarHBondContact O-N 3.38Å; Y522-S526 WeakPolarHBondContact O-CB 3.4Å; Y522-S526 PolarHBondContact O-N 2.95Å; Y522-S526 PolarHBondContact O-OG 3.48Å |
| 523 | S | 89.4 | Confident | 85.6 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.9 | -39.3 | 179.6 | -54.6 | 0 | 0 | 0 | 0 | 112.7 | H424 L425 R519 I520 M521 L527 | H424-S523 VanDerWaalsContact CA-OG 3.29Å; H424-S523 WeakPolarHBondContact CA-OG 3.43Å; H424-S523 WeakPolarHBondContact ND1-CA 3.3Å; H424-S523 PolarHBondContact ND1-OG 2.91Å; L425-S523 PolarHBondContact N-OG 3.47Å; L425-S523 WeakPolarHBondContact O-CB 3.25Å; L425-S523 PolarHBondContact O-OG 3.44Å; R519-S523 WeakPolarHBondContact O-CB 3.29Å; R519-S523 PolarHBondContact O-N 2.96Å; R519-S523 PolarHBondContact O-OG 3.3Å; I520-S523 PolarHBondContact O-N 2.94Å; M521-S523 VanDerWaalsContact C-N 3.34Å; M521-S523 PolarHBondContact O-N 2.88Å; S523-L527 WeakPolarHBondContact O-CG 3.16Å; S523-L527 PolarHBondContact O-N 3.34Å |
| 524 | T | 91.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.2 | -46 | 178.3 | -57.5 | 0 | 0 | 0 | 0 | 111.1 | F239 F430 I431 A434 I520 M521 Y522 S526 L527 I528 | F239-T524 HydrophobicContact CE2-CG2 4.27Å; F239-T524 HydrophobicContact CZ-CG2 3.9Å; F430-T524 HydrophobicContact CD1-CG2 3.91Å; F430-T524 WeakPolarHBondContact CD1-OG1 3.32Å; F430-T524 HydrophobicContact CE1-CG2 4.2Å; I431-T524 HydrophobicContact CB-CG2 4.4Å; I431-T524 HydrophobicContact CG1-CG2 3.95Å; A434-T524 HydrophobicContact CB-CG2 3.76Å; I520-T524 WeakPolarHBondContact O-CB 3.4Å; I520-T524 PolarHBondContact O-N 2.92Å; I520-T524 PolarHBondContact O-OG1 3.21Å; M521-T524 PolarHBondContact O-N 3.28Å; Y522-T524 VanDerWaalsContact C-N 3.34Å; Y522-T524 PolarHBondContact O-N 3.22Å; T524-S526 VanDerWaalsContact C-N 3.31Å; T524-S526 PolarHBondContact O-N 3.33Å; T524-L527 PolarHBondContact O-N 2.91Å; T524-I528 HydrophobicContact CG2-CD1 3.77Å; T524-I528 WeakPolarHBondContact O-CD1 3.33Å; T524-I528 VanDerWaalsContact O-CG1 3.3Å; T524-I528 WeakPolarHBondContact O-CG1 3.42Å; T524-I528 PolarHBondContact O-N 2.92Å |
| 525 | T | 89.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.5 | -43.9 | 174 | -63.3 | 0 | 0 | 0 | 0 | 111.5 | I243 A505 A509 M521 Y522 L527 I528 V529 | I243-T525 HydrophobicContact CD1-CG2 3.73Å; I243-T525 WeakPolarHBondContact CD1-OG1 3.3Å; A505-T525 HydrophobicContact CB-CG2 3.82Å; A505-T525 WeakPolarHBondContact O-CG2 3.42Å; A509-T525 HydrophobicContact CB-CG2 3.94Å; M521-T525 WeakPolarHBondContact O-CB 3.39Å; M521-T525 PolarHBondContact O-N 2.89Å; M521-T525 PolarHBondContact O-OG1 2.99Å; M521-T525 VanDerWaalsContact O-OG1 3.1Å; Y522-T525 PolarHBondContact O-N 3.38Å; T525-L527 PolarHBondContact O-N 3.27Å; T525-I528 PolarHBondContact O-N 2.89Å; T525-V529 HydrophobicContact CG2-CG2 4.23Å; T525-V529 VanDerWaalsContact O-CG2 3.24Å; T525-V529 WeakPolarHBondContact O-CG2 3.29Å; T525-V529 PolarHBondContact O-N 2.95Å |
| 526 | S | 86.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -57.2 | -46.6 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | F506 Y522 T524 V529 I530 | F506-S526 VanDerWaalsContact CE2-OG 3.28Å; F506-S526 WeakPolarHBondContact CE2-OG 3.15Å; Y522-S526 WeakPolarHBondContact O-CB 3.4Å; Y522-S526 PolarHBondContact O-N 2.95Å; Y522-S526 PolarHBondContact O-OG 3.48Å; T524-S526 VanDerWaalsContact C-N 3.31Å; T524-S526 PolarHBondContact O-N 3.33Å; S526-V529 PolarHBondContact O-N 2.96Å; S526-I530 WeakPolarHBondContact O-CD1 3.36Å; S526-I530 WeakPolarHBondContact O-CG1 3.17Å; S526-I530 PolarHBondContact O-N 3.41Å |
| 527 | L | 88.1 | Confident | 83.2 | Confident | 55 Ų | 55 | 19.9 Ų | 19.9 | 29% | 0.288 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -67 | -37.4 | 176.8 | -70.5 | 174.5 | 0 | 0 | 0 | 112.9 | F426 I431 S523 T524 T525 F531 | F426-L527 HydrophobicContact CD1-CD1 3.62Å; F426-L527 HydrophobicContact CD1-CG 4.39Å; F426-L527 HydrophobicContact CE1-CD1 3.72Å; F426-L527 HydrophobicContact CE1-CD2 4.39Å; F426-L527 HydrophobicContact CE1-CG 3.99Å; I431-L527 HydrophobicContact CD1-CD1 3.59Å; I431-L527 HydrophobicContact CG1-CD1 4.23Å; S523-L527 WeakPolarHBondContact O-CG 3.16Å; S523-L527 PolarHBondContact O-N 3.34Å; T524-L527 PolarHBondContact O-N 2.91Å; T525-L527 PolarHBondContact O-N 3.27Å; L527-F531 WeakPolarHBondContact O-CB 3.42Å; L527-F531 PolarHBondContact O-N 2.86Å |
| 528 | I | 87 | Confident | 82 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -64.4 | -43.1 | 175.2 | -68.3 | 156.4 | 0 | 0 | 0 | 110.8 | F239 I243 A434 F435 I438 R501 T524 T525 T532 | F239-I528 HydrophobicContact CZ-CD1 4.08Å; I243-I528 HydrophobicContact CD1-CD1 3.95Å; I243-I528 HydrophobicContact CD1-CG2 4.47Å; I243-I528 HydrophobicContact CG1-CD1 4.39Å; A434-I528 HydrophobicContact CB-CD1 4.08Å; F435-I528 HydrophobicContact CE1-CG1 4.24Å; F435-I528 HydrophobicContact CE2-CG1 4.4Å; F435-I528 HydrophobicContact CZ-CG1 4.07Å; I438-I528 HydrophobicContact CD1-CD1 3.43Å; I438-I528 VanDerWaalsContact CD1-CD1 3.43Å; I438-I528 HydrophobicContact CD1-CG1 4.04Å; I438-I528 HydrophobicContact CD1-CG2 4.31Å; R501-I528 HydrophobicContact CB-CG2 4.49Å; T524-I528 HydrophobicContact CG2-CD1 3.77Å; T524-I528 WeakPolarHBondContact O-CD1 3.33Å; T524-I528 VanDerWaalsContact O-CG1 3.3Å; T524-I528 WeakPolarHBondContact O-CG1 3.42Å; T524-I528 PolarHBondContact O-N 2.92Å; T525-I528 PolarHBondContact O-N 2.89Å; I528-T532 HydrophobicContact CG2-CG2 4.36Å; I528-T532 WeakPolarHBondContact O-CB 3.49Å; I528-T532 VanDerWaalsContact O-CG2 3.32Å; I528-T532 WeakPolarHBondContact O-CG2 3.43Å; I528-T532 PolarHBondContact O-N 2.9Å; I528-T532 PolarHBondContact O-OG1 3.37Å |
| 529 | V | 82.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.9 | -52.8 | 177.9 | 168.7 | 0 | 0 | 0 | 0 | 109.8 | I414 R501 F506 T525 S526 F531 T532 V533 | I414-V529 HydrophobicContact CG2-CG1 4.17Å; R501-V529 HydrophobicContact CB-CG2 4.44Å; R501-V529 VanDerWaalsContact O-CA 3.25Å; R501-V529 WeakPolarHBondContact O-CA 3.42Å; R501-V529 WeakPolarHBondContact O-CB 3.44Å; R501-V529 WeakPolarHBondContact O-CG1 3.07Å; R501-V529 WeakPolarHBondContact O-CG2 3.36Å; F506-V529 HydrophobicContact CB-CG2 4.34Å; T525-V529 HydrophobicContact CG2-CG2 4.23Å; T525-V529 VanDerWaalsContact O-CG2 3.24Å; T525-V529 WeakPolarHBondContact O-CG2 3.29Å; T525-V529 PolarHBondContact O-N 2.95Å; S526-V529 PolarHBondContact O-N 2.96Å; V529-F531 PolarHBondContact O-N 3.42Å; V529-T532 PolarHBondContact O-N 2.95Å; V529-T532 PolarHBondContact O-OG1 3.01Å; V529-V533 WeakPolarHBondContact O-CB 3.32Å; V529-V533 VanDerWaalsContact O-CG2 3.26Å; V529-V533 WeakPolarHBondContact O-CG2 3.36Å; V529-V533 PolarHBondContact O-N 3.25Å |
| 530 | I | 83.3 | Confident | 79.4 | Confident | 18 Ų | 18 | 19 Ų | 19 | 9% | 0.092 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.3 | -47.9 | 179.1 | -67.7 | 161.6 | 0 | 0 | 0 | 111.7 | L85 L89 L418 S526 T532 V533 L534 | L85-I530 HydrophobicContact CD1-CG1 4.35Å; L85-I530 HydrophobicContact CD2-CB 4.35Å; L85-I530 HydrophobicContact CD2-CG1 4.19Å; L85-I530 HydrophobicContact CD2-CG2 4.26Å; L89-I530 HydrophobicContact CD1-CG2 4.14Å; L89-I530 HydrophobicContact CD2-CD1 3.99Å; L418-I530 HydrophobicContact CB-CD1 4.32Å; L418-I530 HydrophobicContact CD1-CD1 3.75Å; L418-I530 HydrophobicContact CD2-CD1 3.65Å; L418-I530 HydrophobicContact CG-CD1 4.1Å; S526-I530 WeakPolarHBondContact O-CD1 3.36Å; S526-I530 WeakPolarHBondContact O-CG1 3.17Å; S526-I530 PolarHBondContact O-N 3.41Å; I530-T532 PolarHBondContact O-N 3.34Å; I530-V533 PolarHBondContact O-N 3.31Å; I530-L534 HydrophobicContact CG2-CD1 3.73Å; I530-L534 HydrophobicContact CG2-CG 4.26Å; I530-L534 WeakPolarHBondContact O-CB 3.45Å; I530-L534 WeakPolarHBondContact O-CG 3.16Å; I530-L534 PolarHBondContact O-N 3.46Å |
| 531 | F | 83.6 | Confident | 77.8 | Confident | 76 Ų | 76 | 18.7 Ų | 18.7 | 33% | 0.333 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -59.6 | -48.5 | 179.1 | -179.8 | -86.6 | 0 | 0 | 0 | 111.2 | F435 L495 L527 V529 V535 | F435-F531 HydrophobicContact CE1-CB 4.27Å; F435-F531 AromaticContact CE1-CD1 3.58Å; F435-F531 HydrophobicContact CE1-CD1 3.58Å; F435-F531 HydrophobicContact CE1-CE1 4.08Å; F435-F531 AromaticContact CE1-CG 3.95Å; F435-F531 HydrophobicContact CE1-CG 3.95Å; F435-F531 HydrophobicContact CZ-CB 3.88Å; F435-F531 AromaticContact CZ-CD1 3.96Å; F435-F531 HydrophobicContact CZ-CD1 3.96Å; F435-F531 HydrophobicContact CZ-CD2 4.38Å; F435-F531 AromaticContact CZ-CG 3.81Å; F435-F531 HydrophobicContact CZ-CG 3.81Å; L495-F531 HydrophobicContact CD1-CE1 4.1Å; L495-F531 HydrophobicContact CD1-CZ 3.92Å; L527-F531 WeakPolarHBondContact O-CB 3.42Å; L527-F531 PolarHBondContact O-N 2.86Å; V529-F531 PolarHBondContact O-N 3.42Å; F531-V535 HydrophobicContact CD1-CG2 4.43Å; F531-V535 HydrophobicContact CD2-CG2 3.96Å; F531-V535 HydrophobicContact CE1-CB 4.3Å; F531-V535 HydrophobicContact CE1-CG1 4.46Å; F531-V535 HydrophobicContact CE1-CG2 4.32Å; F531-V535 HydrophobicContact CE2-CG2 3.83Å; F531-V535 HydrophobicContact CG-CG2 4.26Å; F531-V535 HydrophobicContact CZ-CB 4.36Å; F531-V535 HydrophobicContact CZ-CG1 4.32Å; F531-V535 HydrophobicContact CZ-CG2 4.02Å; F531-V535 WeakPolarHBondContact O-CB 3.47Å; F531-V535 WeakPolarHBondContact O-CG2 3.4Å; F531-V535 PolarHBondContact O-N 2.96Å |
| 532 | T | 77.4 | Confident | 76.3 | Confident | 13 Ų | 13 | 22.1 Ų | 22.1 | 8% | 0.08 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -67.3 | -42.3 | -178.5 | 58.2 | 0 | 0 | 0 | 0 | 111.8 | L500 R501 I528 V529 I530 N536 G537 | L500-T532 VanDerWaalsContact CD2-C 3.47Å; L500-T532 WeakPolarHBondContact CD2-O 3.33Å; R501-T532 PolarHBondContact N-OG1 2.93Å; R501-T532 PolarHBondContact O-OG1 2.61Å; I528-T532 HydrophobicContact CG2-CG2 4.36Å; I528-T532 WeakPolarHBondContact O-CB 3.49Å; I528-T532 VanDerWaalsContact O-CG2 3.32Å; I528-T532 WeakPolarHBondContact O-CG2 3.43Å; I528-T532 PolarHBondContact O-N 2.9Å; I528-T532 PolarHBondContact O-OG1 3.37Å; V529-T532 PolarHBondContact O-N 2.95Å; V529-T532 PolarHBondContact O-OG1 3.01Å; I530-T532 PolarHBondContact O-N 3.34Å; T532-N536 WeakPolarHBondContact O-CA 3.26Å; T532-N536 WeakPolarHBondContact O-CB 3.44Å; T532-N536 PolarHBondContact O-N 3.47Å; T532-G537 PolarHBondContact O-N 3.47Å |
| 533 | V | 74.6 | Confident | 74.5 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | I | π-helix | trans | -64.6 | -46.5 | 177.9 | 176 | 0 | 0 | 0 | 0 | 111.9 | L85 F411 V529 I530 G537 | L85-V533 HydrophobicContact CD2-CB 3.86Å; L85-V533 HydrophobicContact CD2-CG1 3.79Å; F411-V533 HydrophobicContact CD1-CG1 4.02Å; F411-V533 HydrophobicContact CD1-CG2 4.15Å; F411-V533 HydrophobicContact CE1-CB 4.45Å; F411-V533 HydrophobicContact CE1-CG1 3.99Å; F411-V533 HydrophobicContact CE1-CG2 3.56Å; F411-V533 HydrophobicContact CZ-CG2 4.35Å; V529-V533 WeakPolarHBondContact O-CB 3.32Å; V529-V533 VanDerWaalsContact O-CG2 3.26Å; V529-V533 WeakPolarHBondContact O-CG2 3.36Å; V529-V533 PolarHBondContact O-N 3.25Å; I530-V533 PolarHBondContact O-N 3.31Å; V533-G537 WeakPolarHBondContact O-CA 3.42Å; V533-G537 PolarHBondContact O-N 3.01Å; V533-G537 VanDerWaalsContact O-N 3.1Å |
| 534 | L | 76.9 | Confident | 72.7 | Confident | 56 Ų | 56 | 24 Ų | 24 | 29% | 0.293 | 13% | 0.131 | S | C | . | . | I | π-helix | trans | -70.5 | -51.6 | -179.8 | -63.2 | -178.5 | 0 | 0 | 0 | 112.2 | L85 I86 L89 I530 G538 | L85-L534 HydrophobicContact CB-CD2 4.27Å; L85-L534 HydrophobicContact CD2-CD2 3.89Å; L85-L534 HydrophobicContact CD2-CG 3.95Å; L85-L534 HydrophobicContact CG-CD2 4.27Å; I86-L534 HydrophobicContact CD1-CD2 4.14Å; I86-L534 HydrophobicContact CG1-CD2 3.81Å; L89-L534 HydrophobicContact CD1-CD1 4.43Å; I530-L534 HydrophobicContact CG2-CD1 3.73Å; I530-L534 HydrophobicContact CG2-CG 4.26Å; I530-L534 WeakPolarHBondContact O-CB 3.45Å; I530-L534 WeakPolarHBondContact O-CG 3.16Å; I530-L534 PolarHBondContact O-N 3.46Å; L534-G538 PolarHBondContact O-N 2.97Å; L534-G538 VanDerWaalsContact O-N 3.13Å |
| 535 | V | 73.9 | Confident | 70.8 | Confident | 42 Ų | 42 | 26.8 Ų | 26.8 | 26% | 0.255 | 14% | 0.144 | S | C | . | . | I | π-helix | trans | -75.2 | -54.9 | -174.4 | -179.9 | 0 | 0 | 0 | 0 | 110.6 | L495 F531 L539 | L495-V535 HydrophobicContact CD1-CG1 4.1Å; F531-V535 HydrophobicContact CD1-CG2 4.43Å; F531-V535 HydrophobicContact CD2-CG2 3.96Å; F531-V535 HydrophobicContact CE1-CB 4.3Å; F531-V535 HydrophobicContact CE1-CG1 4.46Å; F531-V535 HydrophobicContact CE1-CG2 4.32Å; F531-V535 HydrophobicContact CE2-CG2 3.83Å; F531-V535 HydrophobicContact CG-CG2 4.26Å; F531-V535 HydrophobicContact CZ-CB 4.36Å; F531-V535 HydrophobicContact CZ-CG1 4.32Å; F531-V535 HydrophobicContact CZ-CG2 4.02Å; F531-V535 WeakPolarHBondContact O-CB 3.47Å; F531-V535 WeakPolarHBondContact O-CG2 3.4Å; F531-V535 PolarHBondContact O-N 2.96Å; V535-L539 HydrophobicContact CG1-CD1 3.75Å; V535-L539 WeakPolarHBondContact O-CB 3.47Å; V535-L539 VanDerWaalsContact O-CG 3.26Å; V535-L539 WeakPolarHBondContact O-CG 3.29Å; V535-L539 PolarHBondContact O-N 3.27Å |
| 536 | N | 65.7 | Low | 69.1 | Low | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | I | π-helix | trans | -77.4 | -35.3 | -175 | -52.7 | -12.6 | 0 | 0 | 0 | 111.3 | Q496 F497 L500 T532 A540 | Q496-N536 PolarHBondContact O-ND2 3.3Å; F497-N536 HydrophobicContact CD1-CB 3.59Å; F497-N536 VanDerWaalsContact CD1-O 3.24Å; F497-N536 WeakPolarHBondContact CD1-O 3.41Å; F497-N536 VanDerWaalsContact CE1-CA 3.48Å; F497-N536 HydrophobicContact CE1-CB 3.92Å; F497-N536 WeakPolarHBondContact CE1-O 3.43Å; F497-N536 HydrophobicContact CG-CB 4.22Å; L500-N536 HydrophobicContact CD2-CB 3.74Å; T532-N536 WeakPolarHBondContact O-CA 3.26Å; T532-N536 WeakPolarHBondContact O-CB 3.44Å; T532-N536 PolarHBondContact O-N 3.47Å; N536-A540 VanDerWaalsContact O-CB 3.31Å; N536-A540 WeakPolarHBondContact O-CB 3.47Å; N536-A540 PolarHBondContact O-N 2.71Å; N536-A540 VanDerWaalsContact O-N 3.08Å |
| 537 | G | 62.8 | Low | 67.2 | Low | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -43.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T532 V533 | T532-G537 PolarHBondContact O-N 3.47Å; V533-G537 WeakPolarHBondContact O-CA 3.42Å; V533-G537 PolarHBondContact O-N 3.01Å; V533-G537 VanDerWaalsContact O-N 3.1Å |
| 538 | G | 63.2 | Low | 64.8 | Low | 19 Ų | 19 | 39.8 Ų | 39.8 | 20% | 0.196 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.5 | -46.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L534 A540 | L534-G538 PolarHBondContact O-N 2.97Å; L534-G538 VanDerWaalsContact O-N 3.13Å; G538-A540 PolarHBondContact O-N 3.29Å |
| 539 | L | 63.6 | Low | 62.7 | Low | 74 Ų | 74 | 40.8 Ų | 40.8 | 39% | 0.387 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -75.2 | -18.3 | -177.3 | -68.7 | 174.5 | 0 | 0 | 0 | 113.9 | F497 V535 S541 H542 M543 | F497-L539 HydrophobicContact CE1-CB 3.62Å; F497-L539 HydrophobicContact CZ-CB 3.59Å; F497-L539 HydrophobicContact CZ-CD1 4.31Å; V535-L539 HydrophobicContact CG1-CD1 3.75Å; V535-L539 WeakPolarHBondContact O-CB 3.47Å; V535-L539 VanDerWaalsContact O-CG 3.26Å; V535-L539 WeakPolarHBondContact O-CG 3.29Å; V535-L539 PolarHBondContact O-N 3.27Å; L539-S541 VanDerWaalsContact C-N 3.31Å; L539-S541 PolarHBondContact O-N 2.96Å; L539-H542 CarbonylContact O-C 3.27Å; L539-H542 WeakPolarHBondContact O-CA 3.26Å; L539-H542 WeakPolarHBondContact O-CB 3.32Å; L539-H542 PolarHBondContact O-N 3.36Å; L539-M543 WeakPolarHBondContact O-CG 3.36Å; L539-M543 PolarHBondContact O-N 3.45Å |
| 540 | A | 58 | Low | 60.4 | Low | 16 Ų | 16 | 49.6 Ų | 49.6 | 13% | 0.132 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.7 | -45.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V254 F497 N536 G538 H542 M543 L544 | V254-A540 HydrophobicContact CG1-CB 4.15Å; V254-A540 HydrophobicContact CG2-CB 4.42Å; F497-A540 HydrophobicContact CD1-CB 4.23Å; F497-A540 HydrophobicContact CE1-CB 4.42Å; N536-A540 VanDerWaalsContact O-CB 3.31Å; N536-A540 WeakPolarHBondContact O-CB 3.47Å; N536-A540 PolarHBondContact O-N 2.71Å; N536-A540 VanDerWaalsContact O-N 3.08Å; G538-A540 PolarHBondContact O-N 3.29Å; A540-H542 PolarHBondContact O-N 2.98Å; A540-M543 PolarHBondContact O-N 2.78Å; A540-L544 WeakPolarHBondContact O-CD1 3.41Å; A540-L544 VanDerWaalsContact O-CG 3.24Å; A540-L544 WeakPolarHBondContact O-CG 3.27Å; A540-L544 PolarHBondContact O-N 3.25Å |
| 541 | S | 56 | Low | 58.1 | Low | 17 Ų | 17 | 54 Ų | 54 | 12% | 0.119 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -24 | 175.2 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | L539 Q545 | L539-S541 VanDerWaalsContact C-N 3.31Å; L539-S541 PolarHBondContact O-N 2.96Å; S541-Q545 WeakPolarHBondContact O-CG 3.32Å; S541-Q545 PolarHBondContact O-NE2 3.44Å |
| 542 | H | 58.5 | Low | 55.6 | Low | 73 Ų | 73 | 55.7 Ų | 55.7 | 34% | 0.338 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -85.6 | -45.3 | 175.7 | -168.3 | 79.7 | 0 | 0 | 0 | 111.8 | F77 L539 A540 L544 Q545 L546 | F77-H542 AromaticContact CE1-ND1 3.98Å; L539-H542 CarbonylContact O-C 3.27Å; L539-H542 WeakPolarHBondContact O-CA 3.26Å; L539-H542 WeakPolarHBondContact O-CB 3.32Å; L539-H542 PolarHBondContact O-N 3.36Å; A540-H542 PolarHBondContact O-N 2.98Å; H542-L544 PolarHBondContact O-N 2.84Å; H542-Q545 WeakPolarHBondContact O-CB 3.35Å; H542-Q545 PolarHBondContact O-N 3.33Å; H542-L546 PolarHBondContact O-N 2.84Å |
| 543 | M | 51.2 | Low | 53.3 | Low | 22 Ų | 22 | 59.8 Ų | 59.8 | 11% | 0.108 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -51.7 | -44.8 | 173.1 | -70 | -64.6 | 105.6 | 0 | 0 | 111.4 | E494 F497 L539 A540 Q545 L546 L547 | E494-M543 HydrophobicContact CB-SD 4.47Å; E494-M543 HydrophobicContact CG-CE 4.37Å; E494-M543 HydrophobicContact CG-SD 4.47Å; E494-M543 WeakPolarHBondContact OE1-CE 3.33Å; F497-M543 HydrophobicContact CD2-CG 4.49Å; F497-M543 HydrophobicContact CE1-CG 4.08Å; F497-M543 HydrophobicContact CE2-CG 3.84Å; F497-M543 HydrophobicContact CE2-SD 4.17Å; F497-M543 HydrophobicContact CZ-CG 3.62Å; F497-M543 HydrophobicContact CZ-SD 4.33Å; L539-M543 WeakPolarHBondContact O-CG 3.36Å; L539-M543 PolarHBondContact O-N 3.45Å; A540-M543 PolarHBondContact O-N 2.78Å; M543-Q545 VanDerWaalsContact C-N 3.31Å; M543-Q545 PolarHBondContact O-N 3.21Å; M543-L546 HydrophobicContact CE-CD1 3.75Å; M543-L546 PolarHBondContact O-N 3.45Å; M543-L547 WeakPolarHBondContact O-CB 3.37Å; M543-L547 WeakPolarHBondContact O-CG 3.46Å; M543-L547 PolarHBondContact O-N 3.08Å |
| 544 | L | 52.7 | Low | 51.1 | Low | 18 Ų | 18 | 66.3 Ų | 66.3 | 9% | 0.094 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63 | -33.6 | 179.6 | -69.9 | 162.8 | 0 | 0 | 0 | 113.8 | V254 V258 A540 H542 I549 | V254-L544 HydrophobicContact CG1-CD1 3.4Å; V258-L544 HydrophobicContact CB-CD2 4.47Å; V258-L544 HydrophobicContact CG1-CD2 3.98Å; V258-L544 HydrophobicContact CG2-CD1 3.38Å; V258-L544 HydrophobicContact CG2-CD2 3.7Å; V258-L544 HydrophobicContact CG2-CG 4.07Å; A540-L544 WeakPolarHBondContact O-CD1 3.41Å; A540-L544 VanDerWaalsContact O-CG 3.24Å; A540-L544 WeakPolarHBondContact O-CG 3.27Å; A540-L544 PolarHBondContact O-N 3.25Å; H542-L544 PolarHBondContact O-N 2.84Å; L544-I549 HydrophobicContact CD2-CD1 3.85Å |
| 545 | Q | 51.4 | Low | 48.6 | Very low | 59 Ų | 59 | 70.2 Ų | 70.2 | 28% | 0.276 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -72.5 | -44.5 | 175.3 | -68 | 173.6 | 58.6 | 0 | 0 | 110.9 | S541 H542 M543 L547 K548 Y551 | S541-Q545 WeakPolarHBondContact O-CG 3.32Å; S541-Q545 PolarHBondContact O-NE2 3.44Å; H542-Q545 WeakPolarHBondContact O-CB 3.35Å; H542-Q545 PolarHBondContact O-N 3.33Å; M543-Q545 VanDerWaalsContact C-N 3.31Å; M543-Q545 PolarHBondContact O-N 3.21Å; Q545-L547 VanDerWaalsContact C-N 3.3Å; Q545-L547 PolarHBondContact O-N 3.25Å; Q545-K548 PolarHBondContact O-N 3.04Å; Q545-Y551 HydrophobicContact CG-CE2 4.34Å; Q545-Y551 VanDerWaalsContact CG-OH 3.22Å; Q545-Y551 WeakPolarHBondContact CG-OH 3.45Å |
| 546 | L | 53 | Low | 46.3 | Very low | 100 Ų | 100 | 75.6 Ų | 75.6 | 52% | 0.524 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 175.1 | -69.5 | 171.7 | 0 | 0 | 0 | 112.2 | H542 M543 K548 | H542-L546 PolarHBondContact O-N 2.84Å; M543-L546 HydrophobicContact CE-CD1 3.75Å; M543-L546 PolarHBondContact O-N 3.45Å; L546-K548 PolarHBondContact O-N 3.4Å |
| 547 | L | 47 | Very low | 44.5 | Very low | 46 Ų | 46 | 80 Ų | 80 | 24% | 0.241 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -0.7 | 179.3 | -70.4 | 173.4 | 0 | 0 | 0 | 114.6 | M543 Q545 I549 | M543-L547 WeakPolarHBondContact O-CB 3.37Å; M543-L547 WeakPolarHBondContact O-CG 3.46Å; M543-L547 PolarHBondContact O-N 3.08Å; Q545-L547 VanDerWaalsContact C-N 3.3Å; Q545-L547 PolarHBondContact O-N 3.25Å; L547-I549 HydrophobicContact CB-CG1 4.2Å; L547-I549 PolarHBondContact O-N 3.14Å |
| 548 | K | 38.4 | Very low | 43 | Very low | 182 Ų | 182 | 90.3 Ų | 90.3 | 79% | 0.791 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 30.5 | 177.2 | -67.6 | -174.7 | 176.1 | 178.8 | 0 | 114.6 | Q545 L546 K550 | Q545-K548 PolarHBondContact O-N 3.04Å; L546-K548 PolarHBondContact O-N 3.4Å; K548-K550 PolarHBondContact O-N 2.84Å; K548-K550 VanDerWaalsContact O-N 3.15Å |
| 549 | I | 43 | Very low | 41.4 | Very low | 20 Ų | 20 | 93.6 Ų | 93.6 | 10% | 0.103 | 47% | 0.473 | C | S | . | . | trans | -64.1 | 118.8 | 171.4 | -55.1 | -178.3 | 0 | 0 | 0 | 107 | V258 Y475 L544 L547 Y551 | V258-I549 HydrophobicContact CG1-CD1 4.12Å; V258-I549 HydrophobicContact CG1-CG2 3.98Å; Y475-I549 HydrophobicContact CD1-CG1 4.4Å; Y475-I549 HydrophobicContact CD2-CD1 3.8Å; Y475-I549 HydrophobicContact CD2-CG1 4.33Å; Y475-I549 HydrophobicContact CG-CD1 3.89Å; Y475-I549 HydrophobicContact CG-CG1 3.91Å; L544-I549 HydrophobicContact CD2-CD1 3.85Å; L547-I549 HydrophobicContact CB-CG1 4.2Å; L547-I549 PolarHBondContact O-N 3.14Å; I549-Y551 PolarHBondContact O-N 3.24Å | ||
| 550 | K | 34.2 | Very low | 39.7 | Very low | 185 Ų | 185 | 98.8 Ų | 98.8 | 80% | 0.804 | 50% | 0.495 | S | S | * | . | trans | -66.9 | 102.3 | -177.6 | -74.7 | -171.5 | 176.4 | -176.5 | 0 | 109.8 | K548 V552 | K548-K550 PolarHBondContact O-N 2.84Å; K548-K550 VanDerWaalsContact O-N 3.15Å; K550-V552 PolarHBondContact O-N 3.4Å | ||
| 551 | Y | 34.7 | Very low | 38.2 | Very low | 111 Ų | 111 | 109.1 Ų | 109.1 | 44% | 0.435 | 53% | 0.531 | S | S | . | . | trans | -50.8 | 108.1 | 166.9 | -63.7 | -83 | 0 | 0 | 0 | 109.8 | Q545 I549 V553 | Q545-Y551 HydrophobicContact CG-CE2 4.34Å; Q545-Y551 VanDerWaalsContact CG-OH 3.22Å; Q545-Y551 WeakPolarHBondContact CG-OH 3.45Å; I549-Y551 PolarHBondContact O-N 3.24Å; Y551-V553 PolarHBondContact O-N 3Å | ||
| 552 | V | 30.7 | Very low | 36.8 | Very low | 111 Ų | 111 | 115.4 Ų | 115.4 | 67% | 0.673 | 56% | 0.556 | S | S | * | * | trans | -77.9 | 82 | 162.7 | -178.2 | 0 | 0 | 0 | 0 | 106.1 | K550 I554 | K550-V552 PolarHBondContact O-N 3.4Å; V552-I554 HydrophobicContact CG1-CG1 4.39Å; V552-I554 PolarHBondContact O-N 2.86Å; V552-I554 VanDerWaalsContact O-N 3.09Å | ||
| 553 | V | 30.7 | Very low | 35.3 | Very low | 99 Ų | 99 | 118 Ų | 118 | 60% | 0.6 | 58% | 0.577 | S | S | * | * | trans | -64.4 | 110.3 | 171.5 | -177.5 | 0 | 0 | 0 | 0 | 106.8 | Y551 L555 | Y551-V553 PolarHBondContact O-N 3Å; V553-L555 HydrophobicContact CG1-CB 4.22Å; V553-L555 PolarHBondContact O-N 3.3Å | ||
| 554 | I | 28.1 | Very low | 34.1 | Very low | 139 Ų | 139 | 124 Ų | 124 | 71% | 0.713 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -72.5 | -7.8 | -175.8 | -73 | 174.5 | 0 | 0 | 0 | 112.1 | V552 | V552-I554 HydrophobicContact CG1-CG1 4.39Å; V552-I554 PolarHBondContact O-N 2.86Å; V552-I554 VanDerWaalsContact O-N 3.09Å |
| 555 | L | 24.4 | Very low | 32.7 | Very low | 137 Ų | 137 | 129 Ų | 129 | 72% | 0.717 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -87.7 | 118.4 | 164.5 | -94.9 | 64.9 | 0 | 0 | 0 | 110.8 | V553 | V553-L555 HydrophobicContact CG1-CB 4.22Å; V553-L555 PolarHBondContact O-N 3.3Å |
| 556 | I | 25.6 | Very low | 31.5 | Very low | 155 Ų | 155 | 133.7 Ų | 133.7 | 80% | 0.795 | 66% | 0.664 | S | S | * | * | S | Bend | trans | 85.8 | 142.3 | 165.7 | -52.3 | 166.1 | 0 | 0 | 0 | 115.8 | ||
| 557 | S | 28.1 | Very low | 30.2 | Very low | 95 Ų | 95 | 135 Ų | 135 | 66% | 0.664 | 68% | 0.677 | S | S | * | * | trans | 71.1 | 73.4 | 171.5 | -66.6 | 0 | 0 | 0 | 0 | 119.4 | I559 | S557-I559 PolarHBondContact O-N 2.86Å; S557-I559 VanDerWaalsContact O-N 3.15Å | ||
| 558 | F | 31.1 | Very low | 29 | Very low | 218 Ų | 218 | 138.1 Ų | 138.1 | 96% | 0.956 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -71.7 | 13 | 159.5 | -164.5 | -104.3 | 0 | 0 | 0 | 113.5 | ||
| 559 | I | 28.6 | Very low | 28.4 | Very low | 89 Ų | 89 | 134.7 Ų | 134.7 | 46% | 0.456 | 70% | 0.699 | S | S | . | * | trans | -134.4 | 44.6 | -154.7 | -40.8 | 173.4 | 0 | 0 | 0 | 112.5 | S557 L685 F689 | S557-I559 PolarHBondContact O-N 2.86Å; S557-I559 VanDerWaalsContact O-N 3.15Å; I559-L685 HydrophobicContact CD1-CD2 4.26Å; I559-F689 HydrophobicContact CG2-CE1 4.33Å; I559-F689 HydrophobicContact CG2-CE2 3.99Å; I559-F689 HydrophobicContact CG2-CZ 3.54Å | ||
| 560 | Q | 28.1 | Very low | 27.6 | Very low | 183 Ų | 183 | 138.5 Ų | 138.5 | 86% | 0.855 | 73% | 0.727 | S | S | * | * | trans | -156.3 | 50.2 | 171.4 | -132.1 | 178.8 | 28.6 | 0 | 0 | 117 | ||||
| 561 | R | 27.6 | Very low | 27.1 | Very low | 233 Ų | 233 | 138.9 Ų | 138.9 | 88% | 0.879 | 73% | 0.731 | S | S | * | * | trans | -133.7 | 70.7 | 163.6 | -72.3 | -161.1 | -175.4 | -162.6 | 6.7 | 113.3 | ||||
| 562 | K | 26.5 | Very low | 26.8 | Very low | 149 Ų | 149 | 142.4 Ų | 142.4 | 65% | 0.648 | 75% | 0.752 | S | S | * | * | trans | -69 | 152.1 | 146.3 | -92.8 | -178.2 | 177.5 | 172.5 | 0 | 109 | H681 | K562-H681 PolarHBondContact NZ-CD2 2.88Å; K562-H681 PolarHBondContact NZ-CE1 3.41Å; K562-H681 PolarHBondContact NZ-NE2 2.99Å | ||
| 563 | T | 25.6 | Very low | 26.6 | Very low | 127 Ų | 127 | 147.9 Ų | 147.9 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | 47.7 | 84.7 | 153.7 | -38.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 564 | I | 26.7 | Very low | 26.5 | Very low | 148 Ų | 148 | 152.4 Ų | 152.4 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | -127.5 | 126.4 | 142.6 | -63.7 | -177.7 | 0 | 0 | 0 | 107.3 | ||||
| 565 | T | 23.9 | Very low | 26.7 | Very low | 124 Ų | 124 | 151.5 Ų | 151.5 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | trans | -64.6 | 128.9 | 178.1 | 28.6 | 0 | 0 | 0 | 0 | 111.2 | T567 | T565-T567 PolarHBondContact O-N 3.36Š| ||
| 566 | I | 26.3 | Very low | 27.2 | Very low | 156 Ų | 156 | 154.3 Ų | 154.3 | 80% | 0.8 | 77% | 0.771 | S | S | * | * | trans | -88.2 | 96.4 | 172.9 | -59.2 | 177 | 0 | 0 | 0 | 107.9 | ||||
| 567 | T | 24.6 | Very low | 27.8 | Very low | 128 Ų | 128 | 155.4 Ų | 155.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 140.7 | 159.2 | 41.5 | 0 | 0 | 0 | 0 | 109.3 | T565 P569 | T565-T567 PolarHBondContact O-N 3.36Å; T567-P569 WeakPolarHBondContact O-CD 3.19Å |
| 568 | S | 22.2 | Very low | 28.3 | Very low | 112 Ų | 112 | 154.8 Ų | 154.8 | 78% | 0.783 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 122.6 | -163.7 | -172.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 569 | P | 26.2 | Very low | 28.4 | Very low | 109 Ų | 109 | 152.5 Ų | 152.5 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 125.9 | 164.9 | 31.9 | -30.6 | 0 | 0 | 0 | 109.9 | T567 | T567-P569 WeakPolarHBondContact O-CD 3.19Š|
| 570 | S | 25.7 | Very low | 29.3 | Very low | 100 Ų | 100 | 150.8 Ų | 150.8 | 70% | 0.699 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 158.3 | -168.6 | 51.1 | 0 | 0 | 0 | 0 | 115.2 | H572 | S570-H572 PolarHBondContact O-N 2.82Š|
| 571 | H | 23.9 | Very low | 29.9 | Very low | 193 Ų | 193 | 147.9 Ų | 147.9 | 89% | 0.894 | 73% | 0.73 | S | S | * | * | trans | -57.6 | 99.6 | -179.2 | -81.2 | -113.1 | 0 | 0 | 0 | 112.9 | R573 | H571-R573 PolarHBondContact O-N 3.37Š| ||
| 572 | H | 27.9 | Very low | 30.7 | Very low | 186 Ų | 186 | 142.5 Ų | 142.5 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | trans | -72.9 | 93.6 | 167.3 | -100.4 | -69.4 | 0 | 0 | 0 | 111.3 | S570 Y574 | S570-H572 PolarHBondContact O-N 2.82Å; H572-Y574 PolarHBondContact O-N 3.25Å | ||
| 573 | R | 26.6 | Very low | 31.4 | Very low | 226 Ų | 226 | 136.3 Ų | 136.3 | 85% | 0.853 | 69% | 0.693 | S | S | * | * | trans | -58.4 | 123.7 | 176.5 | -162.9 | 177.1 | -64.1 | -176.7 | -0.1 | 110.6 | H571 N575 | H571-R573 PolarHBondContact O-N 3.37Å; R573-N575 PolarHBondContact O-N 3.25Å; R573-N575 VanDerWaalsContact O-N 3.16Å | ||
| 574 | Y | 29.5 | Very low | 32.1 | Very low | 193 Ų | 193 | 134.5 Ų | 134.5 | 76% | 0.757 | 68% | 0.675 | S | S | * | * | trans | -63.4 | 112.2 | 178.9 | -126.9 | -87.5 | 0 | 0 | 0 | 109.8 | H572 | H572-Y574 PolarHBondContact O-N 3.25Š| ||
| 575 | N | 31.3 | Very low | 32.8 | Very low | 120 Ų | 120 | 132.3 Ų | 132.3 | 64% | 0.642 | 66% | 0.66 | S | S | * | * | trans | -101.1 | 135.8 | -172.2 | -134.4 | -7.5 | 0 | 0 | 0 | 111.6 | R573 W577 | R573-N575 PolarHBondContact O-N 3.25Å; R573-N575 VanDerWaalsContact O-N 3.16Å; N575-W577 PolarHBondContact O-N 3.2Å | ||
| 576 | K | 35.5 | Very low | 33.5 | Very low | 196 Ų | 196 | 128.7 Ų | 128.7 | 85% | 0.852 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -82.2 | 22.7 | -162.3 | -157.6 | 179 | 175.8 | -177.7 | 0 | 114.5 | ||
| 577 | W | 37.6 | Very low | 34 | Very low | 178 Ų | 178 | 125 Ų | 125 | 67% | 0.674 | 61% | 0.609 | S | S | * | * | trans | -134.5 | 17.9 | -153.7 | -65 | 111.7 | 0 | 0 | 0 | 116.7 | N575 K579 | N575-W577 PolarHBondContact O-N 3.2Å; W577-K579 VanDerWaalsContact C-N 3.32Å; W577-K579 PolarHBondContact O-N 2.93Å | ||
| 578 | D | 38.6 | Very low | 34.5 | Very low | 83 Ų | 83 | 122.6 Ų | 122.6 | 44% | 0.444 | 59% | 0.592 | S | S | . | * | trans | -68.8 | 80.6 | 177.6 | -72.1 | -15.4 | 0 | 0 | 0 | 112.3 | T458 S580 | T458-D578 WeakPolarHBondContact CB-OD1 3.27Å; T458-D578 PolarHBondContact OG1-OD1 2.86Å; D578-S580 PolarHBondContact O-N 3.15Å | ||
| 579 | K | 33.1 | Very low | 35.4 | Very low | 170 Ų | 170 | 119.6 Ų | 119.6 | 74% | 0.739 | 57% | 0.565 | S | S | * | * | trans | -77.2 | 73.3 | -174.4 | -71.3 | -178.9 | -179.4 | 178.8 | 0 | 113.5 | W577 | W577-K579 VanDerWaalsContact C-N 3.32Å; W577-K579 PolarHBondContact O-N 2.93Å | ||
| 580 | S | 48 | Very low | 35.9 | Very low | 52 Ų | 52 | 116.9 Ų | 116.9 | 36% | 0.364 | 54% | 0.544 | S | S | . | . | trans | -143 | 107.4 | 160.5 | 61.7 | 0 | 0 | 0 | 0 | 112.1 | D578 L582 P583 Q584 | D578-S580 PolarHBondContact O-N 3.15Å; S580-L582 VanDerWaalsContact C-N 3.32Å; S580-L582 PolarHBondContact O-N 3.4Å; S580-P583 WeakPolarHBondContact O-CD 3.23Å; S580-P583 WeakPolarHBondContact OG-CG 3.38Å; S580-Q584 WeakPolarHBondContact O-CB 3.4Å; S580-Q584 PolarHBondContact O-N 3.14Å | ||
| 581 | L | 41.2 | Very low | 36.4 | Very low | 123 Ų | 123 | 114.5 Ų | 114.5 | 64% | 0.644 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.1 | -37 | -165.9 | -161.2 | 82.5 | 0 | 0 | 0 | 113.8 | K585 | L581-K585 VanDerWaalsContact O-CB 3.29Å; L581-K585 WeakPolarHBondContact O-CB 3.16Å; L581-K585 VanDerWaalsContact O-CG 3.26Å; L581-K585 WeakPolarHBondContact O-CG 3.19Å; L581-K585 PolarHBondContact O-N 3.21Å; L581-K585 VanDerWaalsContact O-N 3.07Å |
| 582 | L | 43.6 | Very low | 36.8 | Very low | 120 Ų | 120 | 112.4 Ų | 112.4 | 63% | 0.628 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -77 | -54.1 | -178.5 | -83.7 | 162.3 | 0 | 0 | 0 | 112.6 | S580 Q584 K585 W586 | S580-L582 VanDerWaalsContact C-N 3.32Å; S580-L582 PolarHBondContact O-N 3.4Å; L582-Q584 VanDerWaalsContact C-N 3.28Å; L582-Q584 PolarHBondContact O-N 3.19Å; L582-K585 PolarHBondContact O-N 2.81Å; L582-W586 PolarHBondContact O-N 3.24Å |
| 583 | P | 40.8 | Very low | 37 | Very low | 18 Ų | 18 | 110.8 Ų | 110.8 | 12% | 0.117 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -58.1 | -37.7 | 172.7 | -25.7 | 34.4 | 0 | 0 | 0 | 113.2 | I198 S580 W586 Y587 | I198-P583 HydrophobicContact CG2-CG 4.15Å; S580-P583 WeakPolarHBondContact O-CD 3.23Å; S580-P583 WeakPolarHBondContact OG-CG 3.38Å; P583-W586 PolarHBondContact O-N 2.87Å; P583-Y587 VanDerWaalsContact O-CB 3.3Å; P583-Y587 WeakPolarHBondContact O-CB 3.39Å; P583-Y587 PolarHBondContact O-N 3.25Å |
| 584 | Q | 41.1 | Very low | 37.2 | Very low | 90 Ų | 90 | 105.1 Ų | 105.1 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.1 | -49.9 | 177.8 | -168.9 | 171.7 | 37.2 | 0 | 0 | 111.5 | S580 L582 W586 Y587 D588 | S580-Q584 WeakPolarHBondContact O-CB 3.4Å; S580-Q584 PolarHBondContact O-N 3.14Å; L582-Q584 VanDerWaalsContact C-N 3.28Å; L582-Q584 PolarHBondContact O-N 3.19Å; Q584-W586 PolarHBondContact O-N 3.1Å; Q584-Y587 PolarHBondContact O-N 2.88Å; Q584-D588 PolarHBondContact O-N 3.39Å |
| 585 | K | 41.3 | Very low | 37.1 | Very low | 102 Ų | 102 | 99.6 Ų | 99.6 | 44% | 0.443 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -55.6 | -37.1 | 171.9 | -80.3 | -177.2 | 178.5 | -170.8 | 0 | 112.3 | L581 L582 F589 M599 | L581-K585 VanDerWaalsContact O-CB 3.29Å; L581-K585 WeakPolarHBondContact O-CB 3.16Å; L581-K585 VanDerWaalsContact O-CG 3.26Å; L581-K585 WeakPolarHBondContact O-CG 3.19Å; L581-K585 PolarHBondContact O-N 3.21Å; L581-K585 VanDerWaalsContact O-N 3.07Å; L582-K585 PolarHBondContact O-N 2.81Å; K585-F589 WeakPolarHBondContact O-CB 3.37Å; K585-F589 PolarHBondContact O-N 2.84Å; K585-F589 VanDerWaalsContact O-N 3.1Å; K585-M599 PolarHBondContact NZ-SD 3.1Å; K585-M599 VanDerWaalsContact NZ-SD 3.4Å |
| 586 | W | 38.9 | Very low | 36.9 | Very low | 47 Ų | 47 | 99.8 Ų | 99.8 | 18% | 0.178 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -74.8 | -30.5 | 177.1 | -149.5 | 93.7 | 0 | 0 | 0 | 113.2 | F195 L582 P583 Q584 F589 D590 | F195-W586 HydrophobicContact CB-CD2 3.44Å; F195-W586 VanDerWaalsContact CB-CD2 3.44Å; F195-W586 HydrophobicContact CB-CE3 3.33Å; F195-W586 HydrophobicContact CB-CG 4.1Å; F195-W586 HydrophobicContact CB-CH2 3.92Å; F195-W586 HydrophobicContact CB-CZ2 4.01Å; F195-W586 HydrophobicContact CB-CZ3 3.59Å; F195-W586 AromaticContact CD1-CD1 3.88Å; F195-W586 AromaticContact CD1-CD2 3.91Å; F195-W586 HydrophobicContact CD1-CD2 3.91Å; F195-W586 AromaticContact CD1-CE2 3.55Å; F195-W586 HydrophobicContact CD1-CG 4.11Å; F195-W586 AromaticContact CD1-CZ2 3.99Å; F195-W586 HydrophobicContact CD1-CZ2 3.99Å; F195-W586 AromaticContact CD1-NE1 3.52Å; F195-W586 HydrophobicContact CD2-CD2 4.27Å; F195-W586 AromaticContact CD2-CE2 3.68Å; F195-W586 HydrophobicContact CD2-CE3 4.39Å; F195-W586 AromaticContact CD2-CH2 3.41Å; F195-W586 HydrophobicContact CD2-CH2 3.41Å; F195-W586 VanDerWaalsContact CD2-CH2 3.41Å; F195-W586 AromaticContact CD2-CZ2 3.22Å; F195-W586 HydrophobicContact CD2-CZ2 3.22Å; F195-W586 HydrophobicContact CD2-CZ3 4.01Å; F195-W586 AromaticContact CE1-CE2 3.99Å; F195-W586 HydrophobicContact CE1-CZ2 4.27Å; F195-W586 AromaticContact CE1-NE1 3.7Å; F195-W586 HydrophobicContact CE2-CH2 4.08Å; F195-W586 AromaticContact CE2-CZ2 3.55Å; F195-W586 HydrophobicContact CE2-CZ2 3.55Å; F195-W586 AromaticContact CG-CD2 3.62Å; F195-W586 HydrophobicContact CG-CD2 3.62Å; F195-W586 AromaticContact CG-CE2 3.37Å; F195-W586 AromaticContact CG-CE3 3.92Å; F195-W586 HydrophobicContact CG-CE3 3.92Å; F195-W586 HydrophobicContact CG-CG 4.27Å; F195-W586 AromaticContact CG-CH2 3.78Å; F195-W586 HydrophobicContact CG-CH2 3.78Å; F195-W586 AromaticContact CG-CZ2 3.47Å; F195-W586 HydrophobicContact CG-CZ2 3.47Å; F195-W586 VanDerWaalsContact CG-CZ2 3.47Å; F195-W586 AromaticContact CG-CZ3 4Å; F195-W586 HydrophobicContact CG-CZ3 4Å; F195-W586 AromaticContact CG-NE1 3.87Å; F195-W586 HydrophobicContact CZ-CZ2 4.07Å; L582-W586 PolarHBondContact O-N 3.24Å; P583-W586 PolarHBondContact O-N 2.87Å; Q584-W586 PolarHBondContact O-N 3.1Å; W586-F589 HydrophobicContact CD2-CD1 4.06Å; W586-F589 HydrophobicContact CD2-CE1 4.16Å; W586-F589 AromaticContact CE2-CD1 3.94Å; W586-F589 AromaticContact CE2-CE1 3.56Å; W586-F589 HydrophobicContact CG-CD1 4.3Å; W586-F589 HydrophobicContact CH2-CE1 4.47Å; W586-F589 HydrophobicContact CZ2-CD1 4.36Å; W586-F589 AromaticContact CZ2-CE1 3.75Å; W586-F589 HydrophobicContact CZ2-CE1 3.75Å; W586-F589 AromaticContact NE1-CE1 3.6Å; W586-F589 AromaticContact NE1-CZ 3.84Å; W586-F589 WeakPolarHBondContact O-CB 3.26Å; W586-F589 PolarHBondContact O-N 3.25Å; W586-D590 HydrophobicContact CZ3-CB 4.28Å; W586-D590 PolarHBondContact O-N 3.02Å |
| 587 | Y | 36.1 | Very low | 36.4 | Very low | 78 Ų | 78 | 95 Ų | 95 | 31% | 0.306 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -75.2 | -37.6 | 177.5 | -161.6 | -100.1 | 0 | 0 | 0 | 112.2 | R192 P583 Q584 F589 D590 N591 | R192-Y587 PolarHBondContact NH2-OH 3.09Å; R192-Y587 VanDerWaalsContact NH2-OH 3.1Å; P583-Y587 VanDerWaalsContact O-CB 3.3Å; P583-Y587 WeakPolarHBondContact O-CB 3.39Å; P583-Y587 PolarHBondContact O-N 3.25Å; Q584-Y587 PolarHBondContact O-N 2.88Å; Y587-F589 VanDerWaalsContact C-N 3.3Å; Y587-D590 PolarHBondContact O-N 2.76Å; Y587-N591 WeakPolarHBondContact CE1-ND2 3.37Å; Y587-N591 WeakPolarHBondContact O-CB 3.13Å; Y587-N591 PolarHBondContact O-N 2.66Å; Y587-N591 PolarHBondContact O-ND2 3.4Å |
| 588 | D | 36.4 | Very low | 36 | Very low | 79 Ų | 79 | 95 Ų | 95 | 42% | 0.422 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.8 | -23.6 | 171.3 | -66 | -36.1 | 0 | 0 | 0 | 112.3 | Q584 D590 | Q584-D588 PolarHBondContact O-N 3.39Å; D588-D590 VanDerWaalsContact C-N 3.31Å |
| 589 | F | 39.4 | Very low | 35.5 | Very low | 48 Ų | 48 | 97.6 Ų | 97.6 | 21% | 0.211 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -72 | -19.8 | 171.5 | 159.1 | -66.3 | 0 | 0 | 0 | 113.2 | K585 W586 Y587 H602 C603 | K585-F589 WeakPolarHBondContact O-CB 3.37Å; K585-F589 PolarHBondContact O-N 2.84Å; K585-F589 VanDerWaalsContact O-N 3.1Å; W586-F589 HydrophobicContact CD2-CD1 4.06Å; W586-F589 HydrophobicContact CD2-CE1 4.16Å; W586-F589 AromaticContact CE2-CD1 3.94Å; W586-F589 AromaticContact CE2-CE1 3.56Å; W586-F589 HydrophobicContact CG-CD1 4.3Å; W586-F589 HydrophobicContact CH2-CE1 4.47Å; W586-F589 HydrophobicContact CZ2-CD1 4.36Å; W586-F589 AromaticContact CZ2-CE1 3.75Å; W586-F589 HydrophobicContact CZ2-CE1 3.75Å; W586-F589 AromaticContact NE1-CE1 3.6Å; W586-F589 AromaticContact NE1-CZ 3.84Å; W586-F589 WeakPolarHBondContact O-CB 3.26Å; W586-F589 PolarHBondContact O-N 3.25Å; Y587-F589 VanDerWaalsContact C-N 3.3Å; F589-H602 HydrophobicContact CD1-CB 4Å; F589-H602 AromaticContact CD1-CE1 3.99Å; F589-H602 AromaticContact CD1-CG 3.71Å; F589-H602 AromaticContact CD1-ND1 3.37Å; F589-H602 WeakPolarHBondContact CD1-ND1 3.48Å; F589-H602 HydrophobicContact CD2-CB 3.33Å; F589-H602 AromaticContact CD2-CG 3.86Å; F589-H602 HydrophobicContact CE1-CB 4.05Å; F589-H602 AromaticContact CE1-CD2 3.74Å; F589-H602 AromaticContact CE1-CE1 3.5Å; F589-H602 AromaticContact CE1-CG 3.43Å; F589-H602 VanDerWaalsContact CE1-CG 3.43Å; F589-H602 AromaticContact CE1-ND1 3.28Å; F589-H602 VanDerWaalsContact CE1-ND1 3.28Å; F589-H602 WeakPolarHBondContact CE1-ND1 3.49Å; F589-H602 AromaticContact CE1-NE2 3.81Å; F589-H602 HydrophobicContact CE2-CB 3.42Å; F589-H602 VanDerWaalsContact CE2-CB 3.42Å; F589-H602 AromaticContact CE2-CD2 3.94Å; F589-H602 AromaticContact CE2-CG 3.62Å; F589-H602 HydrophobicContact CG-CB 3.62Å; F589-H602 AromaticContact CG-CG 3.88Å; F589-H602 AromaticContact CG-ND1 3.9Å; F589-H602 HydrophobicContact CZ-CB 3.77Å; F589-H602 AromaticContact CZ-CD2 3.44Å; F589-H602 VanDerWaalsContact CZ-CD2 3.44Å; F589-H602 WeakPolarHBondContact CZ-CD2 3.09Å; F589-H602 AromaticContact CZ-CG 3.38Å; F589-H602 AromaticContact CZ-ND1 3.76Å; F589-H602 AromaticContact CZ-NE2 3.88Å; F589-H602 PolarHBondContact O-ND1 2.94Å; F589-C603 PolarHBondContact O-SG 3.43Å |
| 590 | D | 37.2 | Very low | 35.4 | Very low | 52 Ų | 52 | 92.5 Ų | 92.5 | 28% | 0.278 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -107.4 | -28.9 | 178.3 | -158.9 | 42.1 | 0 | 0 | 0 | 112.5 | W586 Y587 D588 | W586-D590 HydrophobicContact CZ3-CB 4.28Å; W586-D590 PolarHBondContact O-N 3.02Å; Y587-D590 PolarHBondContact O-N 2.76Å; D588-D590 VanDerWaalsContact C-N 3.31Å |
| 591 | N | 35.5 | Very low | 34.9 | Very low | 51 Ų | 51 | 93.5 Ų | 93.5 | 27% | 0.273 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -101.9 | 129 | -177.4 | -68.4 | -89.1 | 0 | 0 | 0 | 113.4 | Y587 K593 | Y587-N591 WeakPolarHBondContact CE1-ND2 3.37Å; Y587-N591 WeakPolarHBondContact O-CB 3.13Å; Y587-N591 PolarHBondContact O-N 2.66Å; Y587-N591 PolarHBondContact O-ND2 3.4Å; N591-K593 VanDerWaalsContact C-N 3.31Å; N591-K593 PolarHBondContact O-N 3.29Å |
| 592 | N | 33.5 | Very low | 35.1 | Very low | 148 Ų | 148 | 87.7 Ų | 87.7 | 79% | 0.791 | 48% | 0.477 | S | S | * | . | trans | -79.7 | 58.7 | -163.4 | -149.4 | -12.5 | 0 | 0 | 0 | 114.6 | ||||
| 593 | K | 32.7 | Very low | 35.1 | Very low | 152 Ų | 152 | 84 Ų | 84 | 66% | 0.661 | 46% | 0.461 | S | S | * | . | trans | -99.2 | 119.7 | 176.3 | -78.3 | -173.4 | 176.8 | 178.6 | 0 | 111.9 | N591 A595 | N591-K593 VanDerWaalsContact C-N 3.31Å; N591-K593 PolarHBondContact O-N 3.29Å; K593-A595 PolarHBondContact O-N 3.06Å | ||
| 594 | P | 29 | Very low | 35.5 | Very low | 107 Ų | 107 | 89.7 Ų | 89.7 | 70% | 0.695 | 48% | 0.481 | S | S | * | . | trans | -93.8 | 95.1 | 178.7 | 34.3 | -31.7 | 0 | 0 | 0 | 112.7 | ||||
| 595 | A | 27.5 | Very low | 36.5 | Very low | 77 Ų | 77 | 88.4 Ų | 88.4 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -157.8 | 134 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | K593 C597 | K593-A595 PolarHBondContact O-N 3.06Å; A595-C597 PolarHBondContact O-N 3.46Å |
| 596 | S | 27.1 | Very low | 37.8 | Very low | 125 Ų | 125 | 86 Ų | 86 | 87% | 0.874 | 47% | 0.466 | S | S | * | . | S | Bend | trans | 50.1 | 22 | 143.9 | 67.7 | 0 | 0 | 0 | 0 | 122.7 | ||
| 597 | C | 26 | Very low | 39.2 | Very low | 94 Ų | 94 | 87.2 Ų | 87.2 | 64% | 0.635 | 47% | 0.472 | S | S | * | . | trans | -122.4 | 129.3 | 170.6 | -79.4 | 0 | 0 | 0 | 0 | 113.4 | A595 M599 | A595-C597 PolarHBondContact O-N 3.46Å; C597-M599 PolarHBondContact O-N 3.26Å; C597-M599 VanDerWaalsContact O-N 3.14Å | ||
| 598 | I | 30 | Very low | 40.7 | Very low | 179 Ų | 179 | 83.7 Ų | 83.7 | 92% | 0.918 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -79.6 | 9.7 | -170.3 | -68.8 | 168.5 | 0 | 0 | 0 | 113.4 | ||
| 599 | M | 28 | Very low | 42.8 | Very low | 138 Ų | 138 | 82.5 Ų | 82.5 | 68% | 0.68 | 45% | 0.449 | S | S | * | . | trans | -130.9 | 63.3 | 180 | -61.8 | -173.2 | 81.9 | 0 | 0 | 112.7 | K585 C597 P601 | K585-M599 PolarHBondContact NZ-SD 3.1Å; K585-M599 VanDerWaalsContact NZ-SD 3.4Å; C597-M599 PolarHBondContact O-N 3.26Å; C597-M599 VanDerWaalsContact O-N 3.14Å; M599-P601 WeakPolarHBondContact O-CD 3.4Å | ||
| 600 | V | 30.1 | Very low | 44.8 | Very low | 63 Ų | 63 | 80.2 Ų | 80.2 | 38% | 0.382 | 44% | 0.44 | S | S | . | . | trans | -121.3 | 75.6 | 175.9 | -170.5 | 0 | 0 | 0 | 0 | 112.2 | F605 | V600-F605 WeakPolarHBondContact O-CE2 3.19Š| ||
| 601 | P | 37.3 | Very low | 46.6 | Very low | 72 Ų | 72 | 77.8 Ų | 77.8 | 47% | 0.468 | 43% | 0.426 | S | S | . | . | trans | -74.3 | -35.1 | 177.5 | -17.6 | 32.9 | 0 | 0 | 0 | 113.5 | M599 F605 L606 | M599-P601 WeakPolarHBondContact O-CD 3.4Å; P601-F605 CarbonylContact O-C 3.44Å; P601-F605 WeakPolarHBondContact O-CA 3.3Å; P601-F605 WeakPolarHBondContact O-CB 3.41Å; P601-F605 WeakPolarHBondContact O-CD2 3.25Å; P601-F605 PolarHBondContact O-N 3.17Å; P601-L606 PolarHBondContact O-N 3.34Å | ||
| 602 | H | 45.5 | Very low | 48.2 | Very low | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.005 | 42% | 0.419 | C | S | . | . | I | π-helix | trans | -75.9 | -72.4 | -149.4 | -179.3 | -113.4 | 0 | 0 | 0 | 115.7 | H381 Y382 F589 R604 L606 K607 | H381-H602 AromaticContact NE2-CE1 3.8Å; H381-H602 AromaticContact NE2-NE2 3.82Å; Y382-H602 AromaticContact CE1-CD2 4Å; Y382-H602 AromaticContact CE1-NE2 3.47Å; Y382-H602 WeakPolarHBondContact CE1-NE2 3.33Å; Y382-H602 AromaticContact CZ-NE2 3.79Å; Y382-H602 PolarHBondContact OH-CD2 3.27Å; Y382-H602 PolarHBondContact OH-NE2 3.28Å; F589-H602 HydrophobicContact CD1-CB 4Å; F589-H602 AromaticContact CD1-CE1 3.99Å; F589-H602 AromaticContact CD1-CG 3.71Å; F589-H602 AromaticContact CD1-ND1 3.37Å; F589-H602 WeakPolarHBondContact CD1-ND1 3.48Å; F589-H602 HydrophobicContact CD2-CB 3.33Å; F589-H602 AromaticContact CD2-CG 3.86Å; F589-H602 HydrophobicContact CE1-CB 4.05Å; F589-H602 AromaticContact CE1-CD2 3.74Å; F589-H602 AromaticContact CE1-CE1 3.5Å; F589-H602 AromaticContact CE1-CG 3.43Å; F589-H602 VanDerWaalsContact CE1-CG 3.43Å; F589-H602 AromaticContact CE1-ND1 3.28Å; F589-H602 VanDerWaalsContact CE1-ND1 3.28Å; F589-H602 WeakPolarHBondContact CE1-ND1 3.49Å; F589-H602 AromaticContact CE1-NE2 3.81Å; F589-H602 HydrophobicContact CE2-CB 3.42Å; F589-H602 VanDerWaalsContact CE2-CB 3.42Å; F589-H602 AromaticContact CE2-CD2 3.94Å; F589-H602 AromaticContact CE2-CG 3.62Å; F589-H602 HydrophobicContact CG-CB 3.62Å; F589-H602 AromaticContact CG-CG 3.88Å; F589-H602 AromaticContact CG-ND1 3.9Å; F589-H602 HydrophobicContact CZ-CB 3.77Å; F589-H602 AromaticContact CZ-CD2 3.44Å; F589-H602 VanDerWaalsContact CZ-CD2 3.44Å; F589-H602 WeakPolarHBondContact CZ-CD2 3.09Å; F589-H602 AromaticContact CZ-CG 3.38Å; F589-H602 AromaticContact CZ-ND1 3.76Å; F589-H602 AromaticContact CZ-NE2 3.88Å; F589-H602 PolarHBondContact O-ND1 2.94Å; H602-R604 PolarHBondContact O-N 3.22Å; H602-L606 PolarHBondContact O-N 3.47Å; H602-L606 VanDerWaalsContact O-N 3.13Å; H602-K607 PolarHBondContact O-N 2.8Å |
| 603 | C | 44.1 | Very low | 49.6 | Very low | 44 Ų | 44 | 70.8 Ų | 70.8 | 30% | 0.297 | 39% | 0.391 | S | S | . | . | I | π-helix | trans | -69.5 | -13.9 | -176.2 | -79.6 | 0 | 0 | 0 | 0 | 114.6 | F589 | F589-C603 PolarHBondContact O-SG 3.43Å |
| 604 | R | 49.9 | Very low | 50.9 | Low | 137 Ų | 137 | 67.5 Ų | 67.5 | 52% | 0.517 | 38% | 0.377 | S | S | . | . | I | π-helix | trans | -91.4 | -51.6 | 171.5 | -80.4 | -173.3 | 174.2 | -176.3 | -2.9 | 112.7 | H602 P608 T620 | H602-R604 PolarHBondContact O-N 3.22Å; R604-P608 WeakPolarHBondContact O-CD 3.48Å; R604-P608 WeakPolarHBondContact O-CG 3.19Å; R604-T620 WeakPolarHBondContact O-CB 3.4Å; R604-T620 WeakPolarHBondContact O-CG2 3.3Å; R604-T620 PolarHBondContact O-OG1 3.45Å |
| 605 | F | 61.9 | Low | 52.4 | Low | 62 Ų | 62 | 64.9 Ų | 64.9 | 27% | 0.272 | 36% | 0.36 | S | S | . | . | I | π-helix | trans | -110 | -53.6 | -168.3 | -43.8 | -77.4 | 0 | 0 | 0 | 111.6 | V600 P601 K607 P608 F609 L617 T620 L621 | V600-F605 WeakPolarHBondContact O-CE2 3.19Å; P601-F605 CarbonylContact O-C 3.44Å; P601-F605 WeakPolarHBondContact O-CA 3.3Å; P601-F605 WeakPolarHBondContact O-CB 3.41Å; P601-F605 WeakPolarHBondContact O-CD2 3.25Å; P601-F605 PolarHBondContact O-N 3.17Å; F605-K607 PolarHBondContact O-N 3.08Å; F605-P608 WeakPolarHBondContact O-CD 3.16Å; F605-F609 WeakPolarHBondContact O-CB 3.43Å; F605-F609 PolarHBondContact O-N 3.35Å; F605-L617 HydrophobicContact CB-CD1 4.45Å; F605-L617 WeakPolarHBondContact O-CD1 3.41Å; F605-T620 WeakPolarHBondContact CE1-O 3.38Å; F605-L621 HydrophobicContact CD1-CD2 3.54Å; F605-L621 HydrophobicContact CD1-CG 3.98Å; F605-L621 HydrophobicContact CE1-CD2 3.84Å; F605-L621 HydrophobicContact CE1-CG 4.43Å |
| 606 | L | 67.5 | Low | 54.4 | Low | 53 Ų | 53 | 61.4 Ų | 61.4 | 28% | 0.277 | 33% | 0.331 | S | S | . | . | I | π-helix | trans | -65.4 | -39.3 | -170.7 | -156.7 | 74.3 | 0 | 0 | 0 | 113.1 | Y382 P601 H602 F609 L610 | Y382-L606 HydrophobicContact CE1-CD2 4.44Å; P601-L606 PolarHBondContact O-N 3.34Å; H602-L606 PolarHBondContact O-N 3.47Å; H602-L606 VanDerWaalsContact O-N 3.13Å; L606-F609 HydrophobicContact CD1-CD1 4.26Å; L606-F609 PolarHBondContact O-N 3.24Å; L606-L610 HydrophobicContact CD1-CD1 4.16Å; L606-L610 HydrophobicContact CD1-CG 4.26Å; L606-L610 HydrophobicContact CD2-CD1 3.96Å; L606-L610 HydrophobicContact CG-CD1 3.67Å; L606-L610 HydrophobicContact CG-CG 4.03Å; L606-L610 WeakPolarHBondContact O-CB 3.44Å; L606-L610 WeakPolarHBondContact O-CG 3.26Å; L606-L610 PolarHBondContact O-N 3.07Å |
| 607 | K | 68.1 | Low | 56.5 | Low | 72 Ų | 72 | 55.6 Ų | 55.6 | 31% | 0.313 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.5 | -48.1 | 178.4 | -177.5 | 168.4 | -177.7 | 168.3 | 0 | 112.4 | H602 F605 F609 T611 | H602-K607 PolarHBondContact O-N 2.8Å; F605-K607 PolarHBondContact O-N 3.08Å; K607-F609 VanDerWaalsContact C-N 3.27Å; K607-F609 PolarHBondContact O-N 2.84Å; K607-T611 WeakPolarHBondContact O-CB 3.43Å; K607-T611 PolarHBondContact O-N 3.43Å; K607-T611 PolarHBondContact O-OG1 3.14Å |
| 608 | P | 67.9 | Low | 58.4 | Low | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.019 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -27.7 | 170 | -30.4 | 40.9 | 0 | 0 | 0 | 115 | K335 R604 F605 T611 P615 L617 T620 Q637 | K335-P608 PolarHBondContact NZ-O 3.26Å; R604-P608 WeakPolarHBondContact O-CD 3.48Å; R604-P608 WeakPolarHBondContact O-CG 3.19Å; F605-P608 WeakPolarHBondContact O-CD 3.16Å; P608-T611 VanDerWaalsContact O-O 3.13Å; P608-P615 VanDerWaalsContact CB-O 3.27Å; P608-P615 WeakPolarHBondContact CB-O 3.41Å; P608-P615 HydrophobicContact CG-CG 4.25Å; P608-P615 VanDerWaalsContact CG-O 3.23Å; P608-P615 WeakPolarHBondContact CG-O 3.3Å; P608-L617 HydrophobicContact CB-CB 4.21Å; P608-L617 HydrophobicContact CB-CD1 4.02Å; P608-T620 HydrophobicContact CG-CG2 4.4Å; P608-Q637 PolarHBondContact O-NE2 3.26Å; P608-Q637 PolarHBondContact O-OE1 2.91Å |
| 609 | F | 80.4 | Confident | 60.2 | Low | 54 Ų | 54 | 52.1 Ų | 52.1 | 24% | 0.237 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.9 | -55.9 | 176.3 | 176.1 | -105.6 | 0 | 0 | 0 | 111.5 | L332 K335 F605 L606 K607 L617 F632 | L332-F609 HydrophobicContact CD1-CE1 4.05Å; L332-F609 HydrophobicContact CD1-CZ 4.33Å; L332-F609 HydrophobicContact CD2-CD1 4.09Å; L332-F609 HydrophobicContact CD2-CE1 3.75Å; L332-F609 HydrophobicContact CD2-CZ 3.98Å; L332-F609 HydrophobicContact CG-CE1 4.41Å; K335-F609 WeakPolarHBondContact CD-O 3.23Å; K335-F609 PolarHBondContact NZ-O 2.94Å; F605-F609 WeakPolarHBondContact O-CB 3.43Å; F605-F609 PolarHBondContact O-N 3.35Å; L606-F609 HydrophobicContact CD1-CD1 4.26Å; L606-F609 PolarHBondContact O-N 3.24Å; K607-F609 VanDerWaalsContact C-N 3.27Å; K607-F609 PolarHBondContact O-N 2.84Å; F609-L617 HydrophobicContact CB-CD1 4.17Å; F609-L617 HydrophobicContact CB-CD2 4.35Å; F609-L617 HydrophobicContact CD2-CD2 4.07Å; F609-F632 HydrophobicContact CD2-CB 3.89Å; F609-F632 AromaticContact CD2-CD1 3.87Å; F609-F632 HydrophobicContact CD2-CD1 3.87Å; F609-F632 HydrophobicContact CD2-CD2 4.29Å; F609-F632 HydrophobicContact CD2-CE1 4.49Å; F609-F632 AromaticContact CD2-CG 3.76Å; F609-F632 HydrophobicContact CD2-CG 3.76Å; F609-F632 HydrophobicContact CE2-CB 4.19Å; F609-F632 AromaticContact CE2-CD1 3.35Å; F609-F632 HydrophobicContact CE2-CD1 3.35Å; F609-F632 AromaticContact CE2-CD2 3.84Å; F609-F632 HydrophobicContact CE2-CD2 3.84Å; F609-F632 AromaticContact CE2-CE1 3.55Å; F609-F632 HydrophobicContact CE2-CE1 3.55Å; F609-F632 HydrophobicContact CE2-CE2 4.01Å; F609-F632 AromaticContact CE2-CG 3.52Å; F609-F632 HydrophobicContact CE2-CG 3.52Å; F609-F632 AromaticContact CE2-CZ 3.88Å; F609-F632 HydrophobicContact CE2-CZ 3.88Å; F609-F632 HydrophobicContact CZ-CD1 4.17Å; F609-F632 HydrophobicContact CZ-CE1 4.02Å; F609-F632 HydrophobicContact CZ-CZ 4.4Å |
| 610 | L | 80.8 | Confident | 62.1 | Low | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -76.4 | -23.7 | -176.4 | -62.8 | -179.3 | 0 | 0 | 0 | 114.2 | C328 S331 L332 Y382 N386 L606 | C328-L610 HydrophobicContact CB-CD1 4.19Å; C328-L610 HydrophobicContact CB-CD2 4.01Å; C328-L610 VanDerWaalsContact SG-CD1 3.56Å; S331-L610 PolarHBondContact OG-O 2.89Å; L332-L610 HydrophobicContact CD1-CD2 4.08Å; L332-L610 HydrophobicContact CD2-CD2 3.88Å; L332-L610 HydrophobicContact CG-CD2 3.66Å; Y382-L610 HydrophobicContact CD1-CB 4.06Å; Y382-L610 HydrophobicContact CD1-CD1 3.66Å; Y382-L610 HydrophobicContact CD1-CG 4.48Å; Y382-L610 HydrophobicContact CD2-CD1 3.67Å; Y382-L610 HydrophobicContact CE1-CD1 3.84Å; Y382-L610 HydrophobicContact CE2-CD1 3.85Å; Y382-L610 HydrophobicContact CG-CB 4.11Å; Y382-L610 HydrophobicContact CG-CD1 3.56Å; Y382-L610 HydrophobicContact CG-CG 4.5Å; N386-L610 PolarHBondContact ND2-O 3.38Å; L606-L610 HydrophobicContact CD1-CD1 4.16Å; L606-L610 HydrophobicContact CD1-CG 4.26Å; L606-L610 HydrophobicContact CD2-CD1 3.96Å; L606-L610 HydrophobicContact CG-CD1 3.67Å; L606-L610 HydrophobicContact CG-CG 4.03Å; L606-L610 WeakPolarHBondContact O-CB 3.44Å; L606-L610 WeakPolarHBondContact O-CG 3.26Å; L606-L610 PolarHBondContact O-N 3.07Å |
| 611 | T | 75.2 | Confident | 63.9 | Low | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -121.7 | 157.7 | -175.4 | 74.5 | 0 | 0 | 0 | 0 | 113.7 | K335 Y382 N385 N386 K607 P608 C613 Q637 | K335-T611 WeakPolarHBondContact CE-O 3.17Å; K335-T611 PolarHBondContact NZ-O 3.3Å; Y382-T611 HydrophobicContact CD1-CG2 4.27Å; N385-T611 HydrophobicContact CB-CG2 4.45Å; N386-T611 WeakPolarHBondContact OD1-CA 3.3Å; K607-T611 WeakPolarHBondContact O-CB 3.43Å; K607-T611 PolarHBondContact O-N 3.43Å; K607-T611 PolarHBondContact O-OG1 3.14Å; P608-T611 VanDerWaalsContact O-O 3.13Å; T611-C613 PolarHBondContact O-N 3.14Å; T611-C613 WeakPolarHBondContact OG1-CB 3.41Å; T611-C613 PolarHBondContact OG1-N 2.71Å; T611-Q637 PolarHBondContact O-NE2 2.84Å |
| 612 | N | 69.4 | Low | 65.4 | Low | 20 Ų | 20 | 45 Ų | 45 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -75.8 | 3.7 | 172 | -74.6 | -40.9 | 0 | 0 | 0 | 114.1 | K335 N386 T634 V636 Q637 Q640 | K335-N612 WeakPolarHBondContact CE-OD1 3.42Å; K335-N612 WeakPolarHBondContact CG-OD1 3.38Å; N386-N612 PolarHBondContact OD1-N 3.44Å; N612-T634 PolarHBondContact OD1-OG1 3.19Å; N612-V636 HydrophobicContact CB-CG1 4.32Å; N612-Q637 WeakPolarHBondContact O-CA 3.23Å; N612-Q637 WeakPolarHBondContact O-CG 3.2Å; N612-Q640 VanDerWaalsContact O-CD 3.29Å; N612-Q640 PolarHBondContact O-NE2 3.02Å; N612-Q640 PolarHBondContact O-OE1 3.47Å; N612-Q640 VanDerWaalsContact O-OE1 3.13Å |
| 613 | C | 63.5 | Low | 66.6 | Low | 32 Ų | 32 | 49.3 Ų | 49.3 | 22% | 0.216 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -73 | 149.6 | -178.3 | -62.1 | 0 | 0 | 0 | 0 | 113.1 | T611 Q637 | T611-C613 PolarHBondContact O-N 3.14Å; T611-C613 WeakPolarHBondContact OG1-CB 3.41Å; T611-C613 PolarHBondContact OG1-N 2.71Å; C613-Q637 PolarHBondContact O-NE2 2.94Å |
| 614 | K | 59 | Low | 68.2 | Low | 84 Ų | 84 | 57.3 Ų | 57.3 | 37% | 0.365 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -74.4 | 154.7 | 165.1 | -75.6 | -178.5 | 175.7 | 173.1 | 0 | 112.4 | Q637 L638 Q640 | K614-Q637 WeakPolarHBondContact CE-O 3.47Å; K614-L638 VanDerWaalsContact CE-O 3.28Å; K614-L638 WeakPolarHBondContact CE-O 3.31Å; K614-L638 PolarHBondContact NZ-O 3.4Å; K614-Q640 HydrophobicContact CD-CB 4.33Å; K614-Q640 VanDerWaalsContact CE-O 3.29Å; K614-Q640 WeakPolarHBondContact CE-O 3.44Å; K614-Q640 HydrophobicContact CG-CB 4.44Å; K614-Q640 PolarHBondContact NZ-O 3.22Å |
| 615 | P | 62.1 | Low | 69.4 | Low | 52 Ų | 52 | 51.4 Ų | 51.4 | 34% | 0.338 | 26% | 0.264 | S | S | . | . | S | Bend | cis | -64.1 | 153 | -3.1 | 30.3 | -37.1 | 0 | 0 | 0 | 112 | P608 E619 T620 | P608-P615 VanDerWaalsContact CB-O 3.27Å; P608-P615 WeakPolarHBondContact CB-O 3.41Å; P608-P615 HydrophobicContact CG-CG 4.25Å; P608-P615 VanDerWaalsContact CG-O 3.23Å; P608-P615 WeakPolarHBondContact CG-O 3.3Å; P615-E619 HydrophobicContact CB-CB 4.04Å; P615-E619 VanDerWaalsContact CB-OE2 3.23Å; P615-E619 WeakPolarHBondContact CB-OE2 3.25Å; P615-T620 HydrophobicContact CB-CG2 4Å; P615-T620 HydrophobicContact CG-CG2 3.66Å |
| 616 | S | 68.5 | Low | 69.7 | Low | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.021 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -67.6 | 160 | 174.3 | 65.8 | 0 | 0 | 0 | 0 | 111.6 | M618 E619 | S616-M618 PolarHBondContact O-N 3.48Å; S616-E619 VanDerWaalsContact CB-OE1 3.25Å; S616-E619 WeakPolarHBondContact CB-OE1 3.42Å; S616-E619 PolarHBondContact N-OE1 2.9Å; S616-E619 WeakPolarHBondContact O-CB 3.24Å; S616-E619 PolarHBondContact O-N 2.81Å; S616-E619 WeakPolarHBondContact OG-CG 3.25Å; S616-E619 PolarHBondContact OG-N 2.88Å; S616-E619 PolarHBondContact OG-OE1 2.74Å |
| 617 | L | 70.8 | Confident | 70.1 | Confident | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.6 | -21.9 | 178.1 | -164.2 | 69.6 | 0 | 0 | 0 | 111.9 | F605 P608 F609 E619 T620 L621 F632 T633 | F605-L617 HydrophobicContact CB-CD1 4.45Å; F605-L617 WeakPolarHBondContact O-CD1 3.41Å; P608-L617 HydrophobicContact CB-CB 4.21Å; P608-L617 HydrophobicContact CB-CD1 4.02Å; F609-L617 HydrophobicContact CB-CD1 4.17Å; F609-L617 HydrophobicContact CB-CD2 4.35Å; F609-L617 HydrophobicContact CD2-CD2 4.07Å; L617-E619 VanDerWaalsContact C-N 3.34Å; L617-T620 PolarHBondContact O-N 2.91Å; L617-L621 HydrophobicContact CD1-CD1 4.15Å; L617-L621 HydrophobicContact CD1-CG 4.1Å; L617-L621 HydrophobicContact CD2-CD1 3.75Å; L617-L621 HydrophobicContact CG-CD1 3.65Å; L617-L621 HydrophobicContact CG-CG 4Å; L617-L621 WeakPolarHBondContact O-CB 3.41Å; L617-L621 PolarHBondContact O-N 3.02Å; L617-F632 HydrophobicContact CD2-CB 3.63Å; L617-T633 WeakPolarHBondContact CB-OG1 3.13Å; L617-T633 PolarHBondContact N-OG1 3.42Å |
| 618 | M | 66.9 | Low | 70.5 | Confident | 76 Ų | 76 | 51.5 Ų | 51.5 | 37% | 0.374 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -70.1 | -24.6 | 170.1 | -64.4 | -162.2 | -72.1 | 0 | 0 | 113.8 | S616 R630 T633 L638 | S616-M618 PolarHBondContact O-N 3.48Å; M618-R630 HydrophobicContact SD-CB 4.44Å; M618-R630 HydrophobicContact SD-CG 3.58Å; M618-R630 VanDerWaalsContact SD-CG 3.58Å; M618-T633 HydrophobicContact CE-CG2 4.25Å; M618-L638 HydrophobicContact CE-CD1 4.2Å; M618-L638 HydrophobicContact CE-CD2 3.68Å; M618-L638 HydrophobicContact CE-CG 4.46Å |
| 619 | E | 66.6 | Low | 70.8 | Confident | 123 Ų | 123 | 51.8 Ų | 51.8 | 58% | 0.575 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -82.1 | -13.3 | 174.7 | -71.4 | 158.4 | -109.5 | 0 | 0 | 113.2 | P615 S616 L617 | P615-E619 HydrophobicContact CB-CB 4.04Å; P615-E619 VanDerWaalsContact CB-OE2 3.23Å; P615-E619 WeakPolarHBondContact CB-OE2 3.25Å; S616-E619 VanDerWaalsContact CB-OE1 3.25Å; S616-E619 WeakPolarHBondContact CB-OE1 3.42Å; S616-E619 PolarHBondContact N-OE1 2.9Å; S616-E619 WeakPolarHBondContact O-CB 3.24Å; S616-E619 PolarHBondContact O-N 2.81Å; S616-E619 WeakPolarHBondContact OG-CG 3.25Å; S616-E619 PolarHBondContact OG-N 2.88Å; S616-E619 PolarHBondContact OG-OE1 2.74Å; L617-E619 VanDerWaalsContact C-N 3.34Å |
| 620 | T | 68.1 | Low | 70.6 | Confident | 27 Ų | 27 | 57.4 Ų | 57.4 | 17% | 0.166 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -120.9 | -30.8 | -170.4 | 65.2 | 0 | 0 | 0 | 0 | 115 | R604 F605 P608 P615 L617 | R604-T620 WeakPolarHBondContact O-CB 3.4Å; R604-T620 WeakPolarHBondContact O-CG2 3.3Å; R604-T620 PolarHBondContact O-OG1 3.45Å; F605-T620 WeakPolarHBondContact CE1-O 3.38Å; P608-T620 HydrophobicContact CG-CG2 4.4Å; P615-T620 HydrophobicContact CB-CG2 4Å; P615-T620 HydrophobicContact CG-CG2 3.66Å; L617-T620 PolarHBondContact O-N 2.91Å |
| 621 | L | 67.8 | Low | 70.5 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 20% | 0.204 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -73.6 | 145.5 | 173.3 | -85.7 | 176.5 | 0 | 0 | 0 | 112.2 | F605 L617 C625 V628 | F605-L621 HydrophobicContact CD1-CD2 3.54Å; F605-L621 HydrophobicContact CD1-CG 3.98Å; F605-L621 HydrophobicContact CE1-CD2 3.84Å; F605-L621 HydrophobicContact CE1-CG 4.43Å; L617-L621 HydrophobicContact CD1-CD1 4.15Å; L617-L621 HydrophobicContact CD1-CG 4.1Å; L617-L621 HydrophobicContact CD2-CD1 3.75Å; L617-L621 HydrophobicContact CG-CD1 3.65Å; L617-L621 HydrophobicContact CG-CG 4Å; L617-L621 WeakPolarHBondContact O-CB 3.41Å; L617-L621 PolarHBondContact O-N 3.02Å; L621-C625 HydrophobicContact CB-CB 3.97Å; L621-C625 HydrophobicContact CD1-CB 3.94Å; L621-C625 HydrophobicContact CD2-CB 4.14Å; L621-C625 HydrophobicContact CG-CB 4.25Å; L621-V628 HydrophobicContact CD1-CG1 4.47Å |
| 622 | P | 70.1 | Confident | 70.7 | Confident | 58 Ų | 58 | 65.3 Ų | 65.3 | 38% | 0.377 | 35% | 0.347 | S | S | . | . | trans | -57.9 | 152.3 | 169.7 | -23.2 | 34.5 | 0 | 0 | 0 | 112.3 | W624 C625 | P622-W624 HydrophobicContact CB-CG 4.43Å; P622-W624 PolarHBondContact O-N 3.41Å; P622-W624 VanDerWaalsContact O-N 3.12Å; P622-C625 WeakPolarHBondContact O-CB 3.34Å; P622-C625 PolarHBondContact O-N 2.96Å | ||
| 623 | A | 69.7 | Low | 70.9 | Confident | 92 Ų | 92 | 65 Ų | 65 | 76% | 0.76 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -57.9 | -30.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | C625 A626 | A623-C625 PolarHBondContact O-N 2.85Å; A623-A626 WeakPolarHBondContact O-CB 3.36Å; A623-A626 PolarHBondContact O-N 3.06Å |
| 624 | W | 77.8 | Confident | 71.3 | Confident | 211 Ų | 211 | 64.3 Ų | 64.3 | 80% | 0.799 | 34% | 0.341 | S | S | * | . | G | 310 helix | trans | -65.4 | -21.3 | 175.6 | 66.4 | -99.3 | 0 | 0 | 0 | 113.3 | P622 A626 | P622-W624 HydrophobicContact CB-CG 4.43Å; P622-W624 PolarHBondContact O-N 3.41Å; P622-W624 VanDerWaalsContact O-N 3.12Å; W624-A626 VanDerWaalsContact C-N 3.3Å; W624-A626 PolarHBondContact O-N 3.49Å |
| 625 | C | 74.6 | Confident | 71.6 | Confident | 13 Ų | 13 | 64 Ų | 64 | 9% | 0.088 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -85.8 | 9.2 | 172.7 | -59.2 | 0 | 0 | 0 | 0 | 113.5 | L621 P622 A623 P627 V628 S629 | L621-C625 HydrophobicContact CB-CB 3.97Å; L621-C625 HydrophobicContact CD1-CB 3.94Å; L621-C625 HydrophobicContact CD2-CB 4.14Å; L621-C625 HydrophobicContact CG-CB 4.25Å; P622-C625 WeakPolarHBondContact O-CB 3.34Å; P622-C625 PolarHBondContact O-N 2.96Å; A623-C625 PolarHBondContact O-N 2.85Å; C625-P627 VanDerWaalsContact C-CD 3.45Å; C625-V628 WeakPolarHBondContact O-CA 3.3Å; C625-V628 WeakPolarHBondContact O-CB 3.3Å; C625-V628 PolarHBondContact O-N 3.22Å; C625-S629 PolarHBondContact O-N 3.29Å |
| 626 | A | 68.9 | Low | 71.8 | Confident | 31 Ų | 31 | 65.5 Ų | 65.5 | 26% | 0.256 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -46.3 | -42.6 | -177 | 0 | 0 | 0 | 0 | 0 | 116.6 | A623 W624 S629 R630 | A623-A626 WeakPolarHBondContact O-CB 3.36Å; A623-A626 PolarHBondContact O-N 3.06Å; W624-A626 VanDerWaalsContact C-N 3.3Å; W624-A626 PolarHBondContact O-N 3.49Å; A626-S629 WeakPolarHBondContact CA-OG 3.48Å; A626-S629 PolarHBondContact O-OG 2.89Å; A626-S629 VanDerWaalsContact O-OG 3.13Å; A626-R630 VanDerWaalsContact O-CG 3.28Å; A626-R630 WeakPolarHBondContact O-CG 3.45Å; A626-R630 PolarHBondContact O-N 3.48Å; A626-R630 VanDerWaalsContact O-N 3.13Å |
| 627 | P | 76.2 | Confident | 71.8 | Confident | 88 Ų | 88 | 65.3 Ų | 65.3 | 57% | 0.571 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -65.5 | -41.8 | 175.6 | 23.6 | -32.7 | 0 | 0 | 0 | 112.1 | C625 R630 V631 | C625-P627 VanDerWaalsContact C-CD 3.45Å; P627-R630 PolarHBondContact O-N 2.95Å; P627-V631 WeakPolarHBondContact O-CG2 3.45Å; P627-V631 PolarHBondContact O-N 2.92Å; P627-V631 VanDerWaalsContact O-N 3.1Å |
| 628 | V | 76.8 | Confident | 71.2 | Confident | 71 Ų | 71 | 68.8 Ų | 68.8 | 43% | 0.43 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66 | -43.7 | 177.6 | -178.3 | 0 | 0 | 0 | 0 | 110.9 | L621 C625 R630 V631 F632 | L621-V628 HydrophobicContact CD1-CG1 4.47Å; C625-V628 WeakPolarHBondContact O-CA 3.3Å; C625-V628 WeakPolarHBondContact O-CB 3.3Å; C625-V628 PolarHBondContact O-N 3.22Å; V628-R630 VanDerWaalsContact C-N 3.31Å; V628-R630 PolarHBondContact O-N 3.36Å; V628-V631 PolarHBondContact O-N 2.84Å; V628-F632 HydrophobicContact CG1-CD2 3.77Å; V628-F632 HydrophobicContact CG1-CE2 3.97Å; V628-F632 WeakPolarHBondContact O-CD2 3.31Å; V628-F632 PolarHBondContact O-N 3.5Å; V628-F632 VanDerWaalsContact O-N 3.1Å |
| 629 | S | 74.1 | Confident | 70.5 | Confident | 8 Ų | 8 | 74.6 Ų | 74.6 | 6% | 0.056 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.7 | -32.7 | -178.6 | 70.9 | 0 | 0 | 0 | 0 | 112.6 | C625 A626 T633 | C625-S629 PolarHBondContact O-N 3.29Å; A626-S629 WeakPolarHBondContact CA-OG 3.48Å; A626-S629 PolarHBondContact O-OG 2.89Å; A626-S629 VanDerWaalsContact O-OG 3.13Å; S629-T633 VanDerWaalsContact O-CB 3.29Å; S629-T633 WeakPolarHBondContact O-CB 3.02Å; S629-T633 PolarHBondContact O-N 2.88Å; S629-T633 PolarHBondContact O-OG1 2.97Å |
| 630 | R | 75.5 | Confident | 69.6 | Low | 173 Ų | 173 | 71.2 Ų | 71.2 | 65% | 0.653 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.7 | -52.9 | 169.3 | -72.4 | 171.4 | -172.7 | -180 | 4 | 111.8 | M618 A626 P627 V628 F632 T633 | M618-R630 HydrophobicContact SD-CB 4.44Å; M618-R630 HydrophobicContact SD-CG 3.58Å; M618-R630 VanDerWaalsContact SD-CG 3.58Å; A626-R630 VanDerWaalsContact O-CG 3.28Å; A626-R630 WeakPolarHBondContact O-CG 3.45Å; A626-R630 PolarHBondContact O-N 3.48Å; A626-R630 VanDerWaalsContact O-N 3.13Å; P627-R630 PolarHBondContact O-N 2.95Å; V628-R630 VanDerWaalsContact C-N 3.31Å; V628-R630 PolarHBondContact O-N 3.36Å; R630-F632 VanDerWaalsContact C-N 3.29Å; R630-F632 PolarHBondContact O-N 3.27Å; R630-T633 PolarHBondContact O-N 3.23Å; R630-T633 VanDerWaalsContact O-N 3.15Å |
| 631 | V | 79.9 | Confident | 68.1 | Low | 103 Ų | 103 | 74.9 Ų | 74.9 | 62% | 0.624 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -56 | -41.6 | -177.3 | 167.2 | 0 | 0 | 0 | 0 | 112.3 | P627 V628 | P627-V631 WeakPolarHBondContact O-CG2 3.45Å; P627-V631 PolarHBondContact O-N 2.92Å; P627-V631 VanDerWaalsContact O-N 3.1Å; V628-V631 PolarHBondContact O-N 2.84Å |
| 632 | F | 78 | Confident | 66.5 | Low | 63 Ų | 63 | 75 Ų | 75 | 28% | 0.276 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 2.7 | -177.9 | -68.1 | -77.3 | 0 | 0 | 0 | 115 | K335 F336 F609 L617 V628 R630 | K335-F632 PolarHBondContact NZ-O 2.63Å; F336-F632 AromaticContact CE2-CD1 3.85Å; F336-F632 HydrophobicContact CE2-CD1 3.85Å; F336-F632 HydrophobicContact CE2-CE1 4.47Å; F336-F632 HydrophobicContact CZ-CB 4.11Å; F336-F632 AromaticContact CZ-CD1 3.63Å; F336-F632 HydrophobicContact CZ-CD1 3.63Å; F336-F632 HydrophobicContact CZ-CG 4.32Å; F336-F632 WeakPolarHBondContact CZ-O 3.35Å; F609-F632 HydrophobicContact CD2-CB 3.89Å; F609-F632 AromaticContact CD2-CD1 3.87Å; F609-F632 HydrophobicContact CD2-CD1 3.87Å; F609-F632 HydrophobicContact CD2-CD2 4.29Å; F609-F632 HydrophobicContact CD2-CE1 4.49Å; F609-F632 AromaticContact CD2-CG 3.76Å; F609-F632 HydrophobicContact CD2-CG 3.76Å; F609-F632 HydrophobicContact CE2-CB 4.19Å; F609-F632 AromaticContact CE2-CD1 3.35Å; F609-F632 HydrophobicContact CE2-CD1 3.35Å; F609-F632 AromaticContact CE2-CD2 3.84Å; F609-F632 HydrophobicContact CE2-CD2 3.84Å; F609-F632 AromaticContact CE2-CE1 3.55Å; F609-F632 HydrophobicContact CE2-CE1 3.55Å; F609-F632 HydrophobicContact CE2-CE2 4.01Å; F609-F632 AromaticContact CE2-CG 3.52Å; F609-F632 HydrophobicContact CE2-CG 3.52Å; F609-F632 AromaticContact CE2-CZ 3.88Å; F609-F632 HydrophobicContact CE2-CZ 3.88Å; F609-F632 HydrophobicContact CZ-CD1 4.17Å; F609-F632 HydrophobicContact CZ-CE1 4.02Å; F609-F632 HydrophobicContact CZ-CZ 4.4Å; L617-F632 HydrophobicContact CD2-CB 3.63Å; V628-F632 HydrophobicContact CG1-CD2 3.77Å; V628-F632 HydrophobicContact CG1-CE2 3.97Å; V628-F632 WeakPolarHBondContact O-CD2 3.31Å; V628-F632 PolarHBondContact O-N 3.5Å; V628-F632 VanDerWaalsContact O-N 3.1Å; R630-F632 VanDerWaalsContact C-N 3.29Å; R630-F632 PolarHBondContact O-N 3.27Å |
| 633 | T | 73.3 | Confident | 64.5 | Low | 14 Ų | 14 | 75.3 Ų | 75.3 | 9% | 0.086 | 41% | 0.414 | C | S | . | . | trans | -98.1 | 118.4 | 172.5 | -62.3 | 0 | 0 | 0 | 0 | 110 | L617 M618 S629 R630 Q637 L638 | L617-T633 WeakPolarHBondContact CB-OG1 3.13Å; L617-T633 PolarHBondContact N-OG1 3.42Å; M618-T633 HydrophobicContact CE-CG2 4.25Å; S629-T633 VanDerWaalsContact O-CB 3.29Å; S629-T633 WeakPolarHBondContact O-CB 3.02Å; S629-T633 PolarHBondContact O-N 2.88Å; S629-T633 PolarHBondContact O-OG1 2.97Å; R630-T633 PolarHBondContact O-N 3.23Å; R630-T633 VanDerWaalsContact O-N 3.15Å; T633-Q637 HydrophobicContact CG2-CB 4.41Å; T633-Q637 HydrophobicContact CG2-CG 4.44Å; T633-L638 HydrophobicContact CG2-CD1 4.26Å; T633-L638 HydrophobicContact CG2-CD2 4.03Å; T633-L638 HydrophobicContact CG2-CG 3.8Å | ||
| 634 | T | 71.9 | Confident | 62.5 | Low | 18 Ų | 18 | 81 Ų | 81 | 11% | 0.11 | 42% | 0.416 | C | S | . | . | trans | -81.4 | 157.9 | 179.3 | 56.5 | 0 | 0 | 0 | 0 | 112 | K335 F336 N612 V636 Q637 L638 | K335-T634 HydrophobicContact CD-CG2 4.39Å; K335-T634 HydrophobicContact CG-CG2 4.06Å; F336-T634 HydrophobicContact CD1-CG2 3.94Å; F336-T634 HydrophobicContact CE1-CG2 3.81Å; N612-T634 PolarHBondContact OD1-OG1 3.19Å; T634-V636 PolarHBondContact O-N 3.5Å; T634-Q637 WeakPolarHBondContact O-CB 3.42Å; T634-Q637 PolarHBondContact O-N 2.93Å; T634-Q637 VanDerWaalsContact O-N 3.09Å; T634-Q637 VanDerWaalsContact OG1-CB 3.28Å; T634-Q637 WeakPolarHBondContact OG1-CB 3.45Å; T634-Q637 PolarHBondContact OG1-N 2.87Å; T634-Q637 VanDerWaalsContact OG1-N 3.16Å; T634-L638 PolarHBondContact O-N 3.44Å; T634-L638 VanDerWaalsContact O-N 3.14Å | ||
| 635 | S | 66.5 | Low | 60 | Low | 78 Ų | 78 | 76.9 Ų | 76.9 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -57.2 | -38.8 | 169.6 | 53.8 | 0 | 0 | 0 | 0 | 111.8 | Q637 L638 Y639 | S635-Q637 VanDerWaalsContact C-N 3.29Å; S635-Q637 PolarHBondContact O-N 2.94Å; S635-L638 PolarHBondContact O-N 2.85Å; S635-L638 VanDerWaalsContact O-N 3.16Å; S635-Y639 WeakPolarHBondContact O-CB 3.45Å; S635-Y639 VanDerWaalsContact O-CD2 3.25Å; S635-Y639 WeakPolarHBondContact O-CD2 3.42Å; S635-Y639 PolarHBondContact O-N 3.08Å |
| 636 | V | 66.9 | Low | 57.7 | Low | 82 Ų | 82 | 81 Ų | 81 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.1 | -37.5 | 175.1 | -178.7 | 0 | 0 | 0 | 0 | 111.9 | N612 T634 Q640 | N612-V636 HydrophobicContact CB-CG1 4.32Å; T634-V636 PolarHBondContact O-N 3.5Å; V636-Q640 WeakPolarHBondContact O-CA 3.34Å; V636-Q640 VanDerWaalsContact O-CB 3.25Å; V636-Q640 WeakPolarHBondContact O-CB 3.31Å; V636-Q640 WeakPolarHBondContact O-CG 3.48Å; V636-Q640 PolarHBondContact O-N 3.38Å |
| 637 | Q | 66.7 | Low | 55.6 | Low | 0 Ų | 0 | 84.4 Ų | 84.4 | 0% | 0 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -73.4 | -28 | 177.8 | -173.1 | 170.7 | 23.8 | 0 | 0 | 112.7 | P608 T611 N612 C613 K614 T633 T634 S635 | P608-Q637 PolarHBondContact O-NE2 3.26Å; P608-Q637 PolarHBondContact O-OE1 2.91Å; T611-Q637 PolarHBondContact O-NE2 2.84Å; N612-Q637 WeakPolarHBondContact O-CA 3.23Å; N612-Q637 WeakPolarHBondContact O-CG 3.2Å; C613-Q637 PolarHBondContact O-NE2 2.94Å; K614-Q637 WeakPolarHBondContact CE-O 3.47Å; T633-Q637 HydrophobicContact CG2-CB 4.41Å; T633-Q637 HydrophobicContact CG2-CG 4.44Å; T634-Q637 WeakPolarHBondContact O-CB 3.42Å; T634-Q637 PolarHBondContact O-N 2.93Å; T634-Q637 VanDerWaalsContact O-N 3.09Å; T634-Q637 VanDerWaalsContact OG1-CB 3.28Å; T634-Q637 WeakPolarHBondContact OG1-CB 3.45Å; T634-Q637 PolarHBondContact OG1-N 2.87Å; T634-Q637 VanDerWaalsContact OG1-N 3.16Å; S635-Q637 VanDerWaalsContact C-N 3.29Å; S635-Q637 PolarHBondContact O-N 2.94Å |
| 638 | L | 60 | Low | 53.3 | Low | 77 Ų | 77 | 88.8 Ų | 88.8 | 40% | 0.403 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -76.4 | -56 | 172.6 | -71 | 168.5 | 0 | 0 | 0 | 111.5 | K614 M618 T633 T634 S635 Q640 | K614-L638 VanDerWaalsContact CE-O 3.28Å; K614-L638 WeakPolarHBondContact CE-O 3.31Å; K614-L638 PolarHBondContact NZ-O 3.4Å; M618-L638 HydrophobicContact CE-CD1 4.2Å; M618-L638 HydrophobicContact CE-CD2 3.68Å; M618-L638 HydrophobicContact CE-CG 4.46Å; T633-L638 HydrophobicContact CG2-CD1 4.26Å; T633-L638 HydrophobicContact CG2-CD2 4.03Å; T633-L638 HydrophobicContact CG2-CG 3.8Å; T634-L638 PolarHBondContact O-N 3.44Å; T634-L638 VanDerWaalsContact O-N 3.14Å; S635-L638 PolarHBondContact O-N 2.85Å; S635-L638 VanDerWaalsContact O-N 3.16Å; L638-Q640 PolarHBondContact O-N 3.03Å; L638-Q640 VanDerWaalsContact O-N 3.15Å |
| 639 | Y | 51.9 | Low | 51.1 | Low | 198 Ų | 198 | 87.7 Ų | 87.7 | 78% | 0.776 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -75.9 | 9.3 | 179.2 | -65.5 | -69.4 | 0 | 0 | 0 | 113.8 | S635 V641 | S635-Y639 WeakPolarHBondContact O-CB 3.45Å; S635-Y639 VanDerWaalsContact O-CD2 3.25Å; S635-Y639 WeakPolarHBondContact O-CD2 3.42Å; S635-Y639 PolarHBondContact O-N 3.08Å; Y639-V641 PolarHBondContact O-N 3.2Å |
| 640 | Q | 46.5 | Very low | 49.3 | Very low | 52 Ų | 52 | 89.8 Ų | 89.8 | 24% | 0.243 | 47% | 0.471 | C | S | . | . | trans | -66.4 | 85.1 | 170.8 | -122.1 | -174.1 | 27 | 0 | 0 | 110.4 | N612 K614 V636 L638 | N612-Q640 VanDerWaalsContact O-CD 3.29Å; N612-Q640 PolarHBondContact O-NE2 3.02Å; N612-Q640 PolarHBondContact O-OE1 3.47Å; N612-Q640 VanDerWaalsContact O-OE1 3.13Å; K614-Q640 HydrophobicContact CD-CB 4.33Å; K614-Q640 VanDerWaalsContact CE-O 3.29Å; K614-Q640 WeakPolarHBondContact CE-O 3.44Å; K614-Q640 HydrophobicContact CG-CB 4.44Å; K614-Q640 PolarHBondContact NZ-O 3.22Å; V636-Q640 WeakPolarHBondContact O-CA 3.34Å; V636-Q640 VanDerWaalsContact O-CB 3.25Å; V636-Q640 WeakPolarHBondContact O-CB 3.31Å; V636-Q640 WeakPolarHBondContact O-CG 3.48Å; V636-Q640 PolarHBondContact O-N 3.38Å; L638-Q640 PolarHBondContact O-N 3.03Å; L638-Q640 VanDerWaalsContact O-N 3.15Å | ||
| 641 | V | 36.7 | Very low | 47.4 | Very low | 103 Ų | 103 | 82.3 Ų | 82.3 | 62% | 0.624 | 45% | 0.445 | S | S | * | . | trans | -58.3 | 141.1 | 145.1 | -173.4 | 0 | 0 | 0 | 0 | 106.3 | Y639 G643 | Y639-V641 PolarHBondContact O-N 3.2Å; V641-G643 PolarHBondContact O-N 3.03Å | ||
| 642 | D | 33.6 | Very low | 45.5 | Very low | 42 Ų | 42 | 79 Ų | 79 | 23% | 0.225 | 42% | 0.421 | C | S | . | . | trans | -65 | 100.5 | -163 | -82.2 | -90 | 0 | 0 | 0 | 113.3 | W644 Q841 R857 | D642-W644 VanDerWaalsContact C-N 3.27Å; D642-W644 PolarHBondContact O-N 2.98Å; D642-Q841 PolarHBondContact OD2-NE2 3.16Å; D642-Q841 PolarHBondContact OD2-OE1 3.37Å; D642-R857 IonicContact OD1-CZ 3.45Å; D642-R857 IonicContact OD1-NH1 3.02Å; D642-R857 PolarHBondContact OD1-NH1 2.96Å; D642-R857 IonicContact OD1-NH2 3.31Å; D642-R857 PolarHBondContact OD1-NH2 3.27Å; D642-R857 IonicContact OD2-CZ 2.95Å; D642-R857 VanDerWaalsContact OD2-CZ 3.31Å; D642-R857 IonicContact OD2-NE 2.64Å; D642-R857 IonicContact OD2-NH1 3.72Å; D642-R857 IonicContact OD2-NH2 3.74Å; D642-R857 PolarHBondContact OD2-NH2 3.49Å | ||
| 643 | G | 28.8 | Very low | 43.4 | Very low | 65 Ų | 65 | 77.2 Ų | 77.2 | 67% | 0.67 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 66.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | V641 | V641-G643 PolarHBondContact O-N 3.03Š|
| 644 | W | 27.9 | Very low | 41.6 | Very low | 211 Ų | 211 | 83.1 Ų | 83.1 | 80% | 0.799 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | 3.3 | 165.1 | -98.3 | 84.3 | 0 | 0 | 0 | 113.6 | D642 A646 | D642-W644 VanDerWaalsContact C-N 3.27Å; D642-W644 PolarHBondContact O-N 2.98Å; W644-A646 PolarHBondContact O-N 3.45Å |
| 645 | Q | 26.5 | Very low | 40 | Very low | 125 Ų | 125 | 82.8 Ų | 82.8 | 58% | 0.584 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | 7.6 | -176.9 | -66.2 | -175.1 | -75.8 | 0 | 0 | 115.6 | ||
| 646 | A | 25.7 | Very low | 38.6 | Very low | 98 Ų | 98 | 80.4 Ų | 80.4 | 81% | 0.81 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -3.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | W644 | W644-A646 PolarHBondContact O-N 3.45Š|
| 647 | C | 24.9 | Very low | 37 | Very low | 104 Ų | 104 | 78.2 Ų | 78.2 | 70% | 0.703 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -159.9 | 126 | 175.8 | -107.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 648 | K | 27 | Very low | 35.7 | Very low | 179 Ų | 179 | 82.5 Ų | 82.5 | 78% | 0.778 | 42% | 0.423 | S | S | * | . | S | Bend | trans | 80.5 | 117 | 165.8 | -54.4 | 177.9 | -178.5 | 179.8 | 0 | 118 | ||
| 649 | L | 30.2 | Very low | 34.5 | Very low | 48 Ų | 48 | 80.7 Ų | 80.7 | 25% | 0.251 | 41% | 0.414 | S | S | . | . | trans | 70.3 | 84.4 | 144.6 | -155.5 | 82.2 | 0 | 0 | 0 | 118.1 | W815 | L649-W815 HydrophobicContact CB-CH2 4.31Å; L649-W815 HydrophobicContact CB-CZ3 4.16Å; L649-W815 HydrophobicContact CD1-CD2 4.36Å; L649-W815 HydrophobicContact CD1-CE3 3.71Å; L649-W815 HydrophobicContact CD1-CZ3 3.93Å; L649-W815 HydrophobicContact CD2-CD2 3.65Å; L649-W815 HydrophobicContact CD2-CE3 3.71Å; L649-W815 HydrophobicContact CD2-CG 4.25Å; L649-W815 HydrophobicContact CD2-CH2 3.95Å; L649-W815 HydrophobicContact CD2-CZ2 3.92Å; L649-W815 HydrophobicContact CD2-CZ3 3.86Å; L649-W815 HydrophobicContact CG-CE3 4.24Å; L649-W815 HydrophobicContact CG-CZ3 4.21Å | ||
| 650 | F | 36.2 | Very low | 33.8 | Very low | 53 Ų | 53 | 73.8 Ų | 73.8 | 23% | 0.232 | 39% | 0.388 | C | S | . | . | trans | -138.8 | 1.2 | 169.9 | -117.4 | -81.4 | 0 | 0 | 0 | 117.9 | W652 F653 P748 A859 I870 | F650-W652 PolarHBondContact O-N 3.04Å; F650-F653 HydrophobicContact CD1-CB 4.34Å; F650-F653 HydrophobicContact CE1-CB 4.11Å; F650-P748 HydrophobicContact CB-CB 3.44Å; F650-P748 VanDerWaalsContact CB-CB 3.44Å; F650-A859 HydrophobicContact CZ-CB 4.4Å; F650-I870 HydrophobicContact CD2-CD1 4.18Å; F650-I870 HydrophobicContact CE1-CG2 3.65Å; F650-I870 HydrophobicContact CE2-CD1 3.5Å; F650-I870 HydrophobicContact CE2-CG1 3.85Å; F650-I870 HydrophobicContact CE2-CG2 4.18Å; F650-I870 HydrophobicContact CZ-CB 4.2Å; F650-I870 HydrophobicContact CZ-CD1 3.87Å; F650-I870 HydrophobicContact CZ-CG1 3.75Å; F650-I870 HydrophobicContact CZ-CG2 3.38Å | ||
| 651 | V | 35.9 | Very low | 33.4 | Very low | 16 Ų | 16 | 74.7 Ų | 74.7 | 10% | 0.097 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -33 | -179.9 | 178 | 0 | 0 | 0 | 0 | 113.1 | F653 L752 | V651-F653 VanDerWaalsContact C-N 3.32Å; V651-F653 PolarHBondContact O-N 3.27Å; V651-L752 HydrophobicContact CG1-CD2 3.65Å |
| 652 | W | 39.8 | Very low | 33.6 | Very low | 34 Ų | 34 | 73.7 Ų | 73.7 | 13% | 0.129 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -66.1 | -24.2 | -171.5 | -91.5 | 73.3 | 0 | 0 | 0 | 115.6 | F650 F656 S782 P785 A786 T789 L804 V814 | F650-W652 PolarHBondContact O-N 3.04Å; W652-F656 HydrophobicContact CE3-CD2 4.27Å; W652-F656 HydrophobicContact CE3-CE2 4.22Å; W652-F656 HydrophobicContact CZ3-CE2 4.17Å; W652-S782 PolarHBondContact NE1-O 3.47Å; W652-P785 HydrophobicContact CZ2-CB 4.06Å; W652-A786 HydrophobicContact CD2-CB 4.36Å; W652-A786 HydrophobicContact CH2-CB 4.29Å; W652-A786 HydrophobicContact CZ2-CB 3.8Å; W652-T789 HydrophobicContact CH2-CG2 4.38Å; W652-T789 WeakPolarHBondContact CH2-OG1 3.25Å; W652-T789 HydrophobicContact CZ3-CG2 4.25Å; W652-L804 HydrophobicContact CE3-CD2 4.41Å; W652-L804 HydrophobicContact CH2-CD1 3.55Å; W652-L804 HydrophobicContact CH2-CD2 4.34Å; W652-L804 HydrophobicContact CH2-CG 4.5Å; W652-L804 HydrophobicContact CZ2-CD1 4.39Å; W652-L804 HydrophobicContact CZ3-CD1 3.87Å; W652-L804 HydrophobicContact CZ3-CD2 3.81Å; W652-L804 HydrophobicContact CZ3-CG 4.36Å; W652-V814 HydrophobicContact CZ2-CG1 4.37Å |
| 653 | F | 34.7 | Very low | 33.6 | Very low | 25 Ų | 25 | 73.4 Ų | 73.4 | 11% | 0.11 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -92.6 | -29.9 | -158.2 | -148.2 | -96.3 | 0 | 0 | 0 | 116.7 | F650 V651 V655 F656 C657 W858 I870 P871 | F650-F653 HydrophobicContact CD1-CB 4.34Å; F650-F653 HydrophobicContact CE1-CB 4.11Å; V651-F653 VanDerWaalsContact C-N 3.32Å; V651-F653 PolarHBondContact O-N 3.27Å; F653-V655 VanDerWaalsContact C-N 3.34Å; F653-V655 PolarHBondContact O-N 3.49Å; F653-F656 HydrophobicContact CD2-CB 4.45Å; F653-F656 HydrophobicContact CE2-CB 4.12Å; F653-F656 HydrophobicContact CE2-CD1 4.4Å; F653-F656 HydrophobicContact CE2-CG 4.48Å; F653-C657 WeakPolarHBondContact CE1-SG 3.4Å; F653-C657 WeakPolarHBondContact CZ-SG 3.26Å; F653-W858 HydrophobicContact CD1-CE3 4.47Å; F653-W858 AromaticContact CE1-CE3 3.84Å; F653-W858 HydrophobicContact CE1-CE3 3.84Å; F653-W858 HydrophobicContact CE1-CZ3 4.07Å; F653-I870 HydrophobicContact CB-CG2 4.01Å; F653-I870 HydrophobicContact CD2-CG2 3.79Å; F653-I870 HydrophobicContact CG-CG2 3.8Å; F653-P871 HydrophobicContact CD1-CB 4.34Å; F653-P871 HydrophobicContact CE1-CB 3.67Å; F653-P871 HydrophobicContact CE1-CG 3.94Å; F653-P871 HydrophobicContact CE2-CB 4.21Å; F653-P871 HydrophobicContact CE2-CG 3.87Å; F653-P871 HydrophobicContact CZ-CB 3.63Å; F653-P871 VanDerWaalsContact CZ-CD 3.42Å; F653-P871 HydrophobicContact CZ-CG 3.36Å |
| 654 | K | 34.3 | Very low | 34.1 | Very low | 138 Ų | 138 | 74.1 Ų | 74.1 | 60% | 0.6 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 173.3 | -86.6 | -176 | 173.7 | 178.6 | 0 | 111.9 | Q658 | K654-Q658 PolarHBondContact O-N 2.98Å |
| 655 | V | 38.9 | Very low | 34.7 | Very low | 11 Ų | 11 | 71.5 Ų | 71.5 | 7% | 0.067 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.4 | -45.7 | -178 | 173.3 | 0 | 0 | 0 | 0 | 111 | F653 C657 Q658 L659 L752 L756 | F653-V655 VanDerWaalsContact C-N 3.34Å; F653-V655 PolarHBondContact O-N 3.49Å; V655-C657 PolarHBondContact O-N 2.98Å; V655-Q658 PolarHBondContact O-N 2.84Å; V655-L659 HydrophobicContact CG1-CD1 3.57Å; V655-L659 HydrophobicContact CG1-CG 4.21Å; V655-L659 WeakPolarHBondContact O-CB 3.47Å; V655-L659 WeakPolarHBondContact O-CG 3.46Å; V655-L659 PolarHBondContact O-N 2.95Å; V655-L752 HydrophobicContact CG2-CB 4.1Å; V655-L752 HydrophobicContact CG2-CD2 3.8Å; V655-L752 HydrophobicContact CG2-CG 3.87Å; V655-L756 HydrophobicContact CB-CD1 4.28Å; V655-L756 HydrophobicContact CG1-CD1 3.55Å; V655-L756 HydrophobicContact CG2-CD1 3.66Å |
| 656 | F | 37.8 | Very low | 35.3 | Very low | 27 Ų | 27 | 70.7 Ų | 70.7 | 12% | 0.118 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -54.8 | -54.1 | -178.4 | -130.2 | -106.1 | 0 | 0 | 0 | 111.9 | W652 F653 Q660 A800 L804 | W652-F656 HydrophobicContact CE3-CD2 4.27Å; W652-F656 HydrophobicContact CE3-CE2 4.22Å; W652-F656 HydrophobicContact CZ3-CE2 4.17Å; F653-F656 HydrophobicContact CD2-CB 4.45Å; F653-F656 HydrophobicContact CE2-CB 4.12Å; F653-F656 HydrophobicContact CE2-CD1 4.4Å; F653-F656 HydrophobicContact CE2-CG 4.48Å; F656-Q660 VanDerWaalsContact O-CB 3.28Å; F656-Q660 WeakPolarHBondContact O-CB 3.28Å; F656-Q660 PolarHBondContact O-N 3.1Å; F656-A800 HydrophobicContact CD1-CB 3.79Å; F656-A800 HydrophobicContact CD2-CB 3.9Å; F656-A800 HydrophobicContact CE1-CB 3.43Å; F656-A800 VanDerWaalsContact CE1-CB 3.43Å; F656-A800 HydrophobicContact CE2-CB 3.53Å; F656-A800 HydrophobicContact CG-CB 4.04Å; F656-A800 VanDerWaalsContact CZ-C 3.47Å; F656-A800 HydrophobicContact CZ-CB 3.3Å; F656-L804 HydrophobicContact CE2-CD2 4.39Å |
| 657 | C | 33.9 | Very low | 35.9 | Very low | 37 Ų | 37 | 71.6 Ų | 71.6 | 25% | 0.25 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -75.4 | -29.7 | -174.6 | -72.8 | 0 | 0 | 0 | 0 | 114.8 | F653 V655 T661 W858 | F653-C657 WeakPolarHBondContact CE1-SG 3.4Å; F653-C657 WeakPolarHBondContact CZ-SG 3.26Å; V655-C657 PolarHBondContact O-N 2.98Å; C657-T661 PolarHBondContact O-N 3.28Å; C657-T661 PolarHBondContact O-OG1 3.47Å; C657-W858 HydrophobicContact CB-CZ3 4.49Å |
| 658 | Q | 38.2 | Very low | 36.3 | Very low | 90 Ų | 90 | 73.5 Ų | 73.5 | 42% | 0.421 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -71.7 | -44.1 | 174.2 | -162.3 | 62.2 | 53.9 | 0 | 0 | 110.8 | K654 V655 Q660 T661 D662 L753 | K654-Q658 PolarHBondContact O-N 2.98Å; V655-Q658 PolarHBondContact O-N 2.84Å; Q658-Q660 VanDerWaalsContact C-N 3.32Å; Q658-Q660 PolarHBondContact O-N 2.92Å; Q658-T661 PolarHBondContact O-N 2.91Å; Q658-D662 PolarHBondContact O-N 3.38Å; Q658-L753 HydrophobicContact CB-CD2 4.21Å; Q658-L753 HydrophobicContact CG-CD2 3.86Å |
| 659 | L | 35.4 | Very low | 36.4 | Very low | 38 Ų | 38 | 69 Ų | 69 | 20% | 0.199 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.1 | -33.9 | 174.2 | -69.3 | 178.8 | 0 | 0 | 0 | 112.5 | V655 D662 Y663 A790 M793 | V655-L659 HydrophobicContact CG1-CD1 3.57Å; V655-L659 HydrophobicContact CG1-CG 4.21Å; V655-L659 WeakPolarHBondContact O-CB 3.47Å; V655-L659 WeakPolarHBondContact O-CG 3.46Å; V655-L659 PolarHBondContact O-N 2.95Å; L659-D662 PolarHBondContact O-N 3.01Å; L659-Y663 WeakPolarHBondContact O-CB 3.46Å; L659-Y663 PolarHBondContact O-N 3.48Å; L659-A790 HydrophobicContact CD1-CB 3.97Å; L659-M793 HydrophobicContact CB-CE 3.58Å; L659-M793 HydrophobicContact CD1-CE 3.92Å; L659-M793 HydrophobicContact CD1-SD 3.95Å; L659-M793 HydrophobicContact CG-CE 4.39Å |
| 660 | Q | 37.7 | Very low | 36.4 | Very low | 53 Ų | 53 | 75.9 Ų | 75.9 | 25% | 0.248 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 171.5 | -167.5 | 76.1 | 47.3 | 0 | 0 | 110.5 | F656 Q658 D662 Y663 D664 | F656-Q660 VanDerWaalsContact O-CB 3.28Å; F656-Q660 WeakPolarHBondContact O-CB 3.28Å; F656-Q660 PolarHBondContact O-N 3.1Å; Q658-Q660 VanDerWaalsContact C-N 3.32Å; Q658-Q660 PolarHBondContact O-N 2.92Å; Q660-D662 VanDerWaalsContact C-N 3.32Å; Q660-D662 PolarHBondContact O-N 3.1Å; Q660-Y663 WeakPolarHBondContact O-CB 3.21Å; Q660-Y663 PolarHBondContact O-N 3.15Å; Q660-Y663 VanDerWaalsContact O-N 3.1Å; Q660-D664 PolarHBondContact NE2-OD1 3.36Å; Q660-D664 VanDerWaalsContact NE2-OD1 3.09Å; Q660-D664 WeakPolarHBondContact O-CB 3.4Å; Q660-D664 PolarHBondContact O-N 2.97Å |
| 661 | T | 37.8 | Very low | 36 | Very low | 71 Ų | 71 | 82.4 Ų | 82.4 | 44% | 0.436 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.9 | -37.7 | 179.4 | -49.7 | 0 | 0 | 0 | 0 | 112.3 | C657 Q658 | C657-T661 PolarHBondContact O-N 3.28Å; C657-T661 PolarHBondContact O-OG1 3.47Å; Q658-T661 PolarHBondContact O-N 2.91Å |
| 662 | D | 40.1 | Very low | 35.6 | Very low | 83 Ų | 83 | 89.6 Ų | 89.6 | 44% | 0.444 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -73.3 | -31.4 | 175.3 | -63.4 | -10.5 | 0 | 0 | 0 | 111.9 | Q658 L659 Q660 | Q658-D662 PolarHBondContact O-N 3.38Å; L659-D662 PolarHBondContact O-N 3.01Å; Q660-D662 VanDerWaalsContact C-N 3.32Å; Q660-D662 PolarHBondContact O-N 3.1Å |
| 663 | Y | 34.5 | Very low | 35 | Very low | 35 Ų | 35 | 90.7 Ų | 90.7 | 14% | 0.137 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -74.2 | -40.3 | 177.5 | 180 | -102.4 | 0 | 0 | 0 | 112.6 | L659 Q660 Q665 L666 Q667 K797 | L659-Y663 WeakPolarHBondContact O-CB 3.46Å; L659-Y663 PolarHBondContact O-N 3.48Å; Q660-Y663 WeakPolarHBondContact O-CB 3.21Å; Q660-Y663 PolarHBondContact O-N 3.15Å; Q660-Y663 VanDerWaalsContact O-N 3.1Å; Y663-Q665 PolarHBondContact O-N 2.89Å; Y663-L666 CarbonylContact O-C 3.57Å; Y663-L666 WeakPolarHBondContact O-CA 3.46Å; Y663-L666 WeakPolarHBondContact O-CB 3.4Å; Y663-L666 PolarHBondContact O-N 2.84Å; Y663-Q667 HydrophobicContact CD1-CG 3.88Å; Y663-Q667 HydrophobicContact CE1-CG 3.48Å; Y663-Q667 VanDerWaalsContact CE1-CG 3.48Å; Y663-Q667 HydrophobicContact CE2-CG 4.33Å; Y663-Q667 HydrophobicContact CG-CG 4.47Å; Y663-Q667 PolarHBondContact O-N 3.09Å; Y663-Q667 VanDerWaalsContact O-N 3.08Å; Y663-Q667 PolarHBondContact OH-NE2 3.32Å; Y663-K797 HydrophobicContact CE2-CB 4.3Å; Y663-K797 WeakPolarHBondContact CE2-O 3.22Å; Y663-K797 PolarHBondContact OH-O 3.34Å; Y663-K797 VanDerWaalsContact OH-O 3.07Å |
| 664 | D | 38.9 | Very low | 34.5 | Very low | 80 Ų | 80 | 93.7 Ų | 93.7 | 43% | 0.428 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -25.1 | 177.7 | -60.2 | -19.2 | 0 | 0 | 0 | 111.2 | Q660 | Q660-D664 PolarHBondContact NE2-OD1 3.36Å; Q660-D664 VanDerWaalsContact NE2-OD1 3.09Å; Q660-D664 WeakPolarHBondContact O-CB 3.4Å; Q660-D664 PolarHBondContact O-N 2.97Å |
| 665 | Q | 40.4 | Very low | 34.1 | Very low | 156 Ų | 156 | 90.6 Ų | 90.6 | 73% | 0.729 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -22.5 | 169.1 | -67.8 | -166 | 6.6 | 0 | 0 | 113.9 | Y663 | Y663-Q665 PolarHBondContact O-N 2.89Š|
| 666 | L | 39 | Very low | 33.8 | Very low | 109 Ų | 109 | 95.5 Ų | 95.5 | 57% | 0.571 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -13.3 | -178.7 | -74.6 | 165.3 | 0 | 0 | 0 | 113.8 | Y663 N668 | Y663-L666 CarbonylContact O-C 3.57Å; Y663-L666 WeakPolarHBondContact O-CA 3.46Å; Y663-L666 WeakPolarHBondContact O-CB 3.4Å; Y663-L666 PolarHBondContact O-N 2.84Å; L666-N668 VanDerWaalsContact C-N 3.33Å; L666-N668 PolarHBondContact O-N 3.1Å |
| 667 | Q | 38 | Very low | 33.2 | Very low | 116 Ų | 116 | 103.6 Ų | 103.6 | 54% | 0.542 | 59% | 0.586 | S | S | . | * | trans | -77.5 | -4.5 | -177.7 | -77.2 | -146 | -73.2 | 0 | 0 | 115.7 | Y663 S669 | Y663-Q667 HydrophobicContact CD1-CG 3.88Å; Y663-Q667 HydrophobicContact CE1-CG 3.48Å; Y663-Q667 VanDerWaalsContact CE1-CG 3.48Å; Y663-Q667 HydrophobicContact CE2-CG 4.33Å; Y663-Q667 HydrophobicContact CG-CG 4.47Å; Y663-Q667 PolarHBondContact O-N 3.09Å; Y663-Q667 VanDerWaalsContact O-N 3.08Å; Y663-Q667 PolarHBondContact OH-NE2 3.32Å; Q667-S669 PolarHBondContact O-N 3.3Å | ||
| 668 | N | 33.2 | Very low | 32.8 | Very low | 144 Ų | 144 | 106.5 Ų | 106.5 | 77% | 0.77 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -72 | 35.7 | 174.6 | -74.6 | -52.8 | 0 | 0 | 0 | 113.4 | L666 | L666-N668 VanDerWaalsContact C-N 3.33Å; L666-N668 PolarHBondContact O-N 3.1Å |
| 669 | S | 29.5 | Very low | 32.3 | Very low | 86 Ų | 86 | 106.4 Ų | 106.4 | 60% | 0.601 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -158.2 | 78.3 | -173 | -69.2 | 0 | 0 | 0 | 0 | 114.1 | Q667 | Q667-S669 PolarHBondContact O-N 3.3Š|
| 670 | Q | 30.5 | Very low | 31.9 | Very low | 192 Ų | 192 | 112.2 Ų | 112.2 | 90% | 0.897 | 64% | 0.642 | S | S | * | * | trans | 63.7 | 123 | 149.6 | -56.1 | -170.5 | -93.5 | 0 | 0 | 121.6 | ||||
| 671 | E | 27.3 | Very low | 31.5 | Very low | 190 Ų | 190 | 116.6 Ų | 116.6 | 89% | 0.888 | 66% | 0.662 | S | S | * | * | trans | -47.9 | 155.9 | 156.2 | -59.8 | 145.1 | 149.2 | 0 | 0 | 113.4 | ||||
| 672 | D | 27.6 | Very low | 30.9 | Very low | 166 Ų | 166 | 116.1 Ų | 116.1 | 89% | 0.888 | 67% | 0.672 | S | S | * | * | cis | -157.6 | -154.2 | -16.9 | -161.2 | 28.9 | 0 | 0 | 0 | 106.4 | ||||
| 673 | G | 26.2 | Very low | 30.3 | Very low | 58 Ų | 58 | 117.2 Ų | 117.2 | 60% | 0.598 | 68% | 0.677 | S | S | * | * | cis | 169.7 | 176.2 | 5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 674 | G | 25.1 | Very low | 30.2 | Very low | 87 Ų | 87 | 118.4 Ų | 118.4 | 90% | 0.897 | 69% | 0.686 | S | S | * | * | trans | 93 | 139.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 675 | G | 25.5 | Very low | 29.8 | Very low | 74 Ų | 74 | 118 Ų | 118 | 76% | 0.763 | 68% | 0.684 | S | S | * | * | trans | -134.1 | -136.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 676 | P | 32.5 | Very low | 29.5 | Very low | 113 Ų | 113 | 116.8 Ų | 116.8 | 73% | 0.734 | 69% | 0.687 | S | S | * | * | cis | -142.1 | -166.8 | -20.9 | 28.1 | -2.2 | 0 | 0 | 0 | 114.1 | ||||
| 677 | F | 26.2 | Very low | 29.2 | Very low | 198 Ų | 198 | 117.7 Ų | 117.7 | 87% | 0.868 | 69% | 0.692 | S | S | * | * | trans | 67.9 | 149.6 | 172.3 | -71.9 | -105 | 0 | 0 | 0 | 118.2 | ||||
| 678 | S | 25.9 | Very low | 28.9 | Very low | 98 Ų | 98 | 114.8 Ų | 114.8 | 69% | 0.685 | 69% | 0.689 | S | S | * | * | cis | -173.1 | 180 | -23.5 | 75.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 679 | S | 27 | Very low | 29 | Very low | 88 Ų | 88 | 113.3 Ų | 113.3 | 62% | 0.615 | 68% | 0.676 | S | S | * | * | cis | -158.3 | -161 | -1.3 | 50.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 680 | Q | 27.5 | Very low | 29.3 | Very low | 159 Ų | 159 | 114.8 Ų | 114.8 | 74% | 0.743 | 67% | 0.671 | S | S | * | * | cis | -155 | -79.5 | 9.4 | -149.6 | 167.1 | 120.8 | 0 | 0 | 116.4 | ||||
| 681 | H | 28.2 | Very low | 30.2 | Very low | 145 Ų | 145 | 107.8 Ų | 107.8 | 67% | 0.671 | 64% | 0.641 | S | S | * | * | trans | -147.8 | 157 | -167.7 | -68 | 3.5 | 0 | 0 | 0 | 110 | K562 | K562-H681 PolarHBondContact NZ-CD2 2.88Å; K562-H681 PolarHBondContact NZ-CE1 3.41Å; K562-H681 PolarHBondContact NZ-NE2 2.99Å | ||
| 682 | G | 25.3 | Very low | 31.8 | Very low | 62 Ų | 62 | 101 Ų | 101 | 64% | 0.639 | 62% | 0.615 | S | S | * | * | cis | 178.2 | -170.3 | -1.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 683 | D | 28.7 | Very low | 34.4 | Very low | 105 Ų | 105 | 93.5 Ų | 93.5 | 56% | 0.561 | 58% | 0.575 | S | S | * | * | trans | 89.3 | 162.3 | 155 | -47.4 | -28.8 | 0 | 0 | 0 | 122.6 | F689 K690 | D683-F689 CarbonylContact O-C 3.54Å; D683-K690 WeakPolarHBondContact O-CB 3.08Å; D683-K690 PolarHBondContact O-N 3.32Å | ||
| 684 | D | 31.8 | Very low | 37.4 | Very low | 61 Ų | 61 | 91.7 Ų | 91.7 | 33% | 0.326 | 55% | 0.551 | S | S | . | * | trans | 87.6 | 19.7 | 178.7 | -49.8 | -17 | 0 | 0 | 0 | 131.3 | T686 D687 A688 F689 K690 | D684-T686 CarbonylContact O-C 3.53Å; D684-T686 VanDerWaalsContact O-C 3.25Å; D684-D687 VanDerWaalsContact C-CA 3.4Å; D684-D687 VanDerWaalsContact CA-C 3.45Å; D684-D687 WeakPolarHBondContact O-CA 3.46Å; D684-D687 PolarHBondContact O-N 2.85Å; D684-A688 VanDerWaalsContact C-CA 3.47Å; D684-A688 VanDerWaalsContact CA-CA 3.44Å; D684-F689 VanDerWaalsContact C-C 3.47Å; D684-F689 VanDerWaalsContact N-CA 3.3Å; D684-K690 HydrophobicContact CB-CB 3.89Å; D684-K690 HydrophobicContact CB-CD 3.48Å; D684-K690 VanDerWaalsContact CB-CD 3.48Å; D684-K690 HydrophobicContact CB-CG 3.47Å; D684-K690 VanDerWaalsContact CB-CG 3.47Å; D684-K690 WeakPolarHBondContact O-CA 3.25Å; D684-K690 WeakPolarHBondContact O-CG 3.2Å; D684-K690 WeakPolarHBondContact OD2-CE 3.24Å; D684-K690 IonicContact OD2-NZ 2.84Å; D684-K690 PolarHBondContact OD2-NZ 2.97Å | ||
| 685 | L | 29.7 | Very low | 40.5 | Very low | 71 Ų | 71 | 93.7 Ų | 93.7 | 37% | 0.372 | 53% | 0.532 | S | S | . | . | S | Bend | trans | 26.2 | -128.3 | 152.6 | 147.5 | 96 | 0 | 0 | 0 | 120 | I559 A688 F689 K690 | I559-L685 HydrophobicContact CD1-CD2 4.26Å; L685-A688 WeakPolarHBondContact CA-O 3.17Å; L685-A688 VanDerWaalsContact CB-C 3.43Å; L685-A688 WeakPolarHBondContact CB-O 3.27Å; L685-A688 WeakPolarHBondContact CD2-O 3.24Å; L685-A688 WeakPolarHBondContact CG-O 3.32Å; L685-F689 VanDerWaalsContact CB-C 3.44Å; L685-F689 VanDerWaalsContact CB-N 3.3Å; L685-F689 WeakPolarHBondContact CB-O 3.38Å; L685-F689 PolarHBondContact N-O 3.33Å; L685-K690 VanDerWaalsContact N-CA 3.29Å |
| 686 | T | 34.1 | Very low | 43.5 | Very low | 130 Ų | 130 | 90.8 Ų | 90.8 | 80% | 0.798 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -64.4 | -45.4 | 136.7 | 62.2 | 0 | 0 | 0 | 0 | 106.7 | D684 | D684-T686 CarbonylContact O-C 3.53Å; D684-T686 VanDerWaalsContact O-C 3.25Å |
| 687 | D | 33.3 | Very low | 46.3 | Very low | 128 Ų | 128 | 86 Ų | 86 | 68% | 0.684 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -149.8 | 34.5 | 163 | -67.5 | -66.5 | 0 | 0 | 0 | 114.7 | D684 | D684-D687 VanDerWaalsContact C-CA 3.4Å; D684-D687 VanDerWaalsContact CA-C 3.45Å; D684-D687 WeakPolarHBondContact O-CA 3.46Å; D684-D687 PolarHBondContact O-N 2.85Å |
| 688 | A | 31.9 | Very low | 49.2 | Very low | 56 Ų | 56 | 80.2 Ų | 80.2 | 46% | 0.463 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -173.2 | 114.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | D684 L685 | D684-A688 VanDerWaalsContact C-CA 3.47Å; D684-A688 VanDerWaalsContact CA-CA 3.44Å; L685-A688 WeakPolarHBondContact CA-O 3.17Å; L685-A688 VanDerWaalsContact CB-C 3.43Å; L685-A688 WeakPolarHBondContact CB-O 3.27Å; L685-A688 WeakPolarHBondContact CD2-O 3.24Å; L685-A688 WeakPolarHBondContact CG-O 3.32Å |
| 689 | F | 35 | Very low | 52.3 | Low | 113 Ų | 113 | 81 Ų | 81 | 50% | 0.496 | 43% | 0.434 | S | S | . | . | S | Bend | cis | -97.2 | 124.8 | -14.5 | 7.2 | -101.9 | 0 | 0 | 0 | 118.1 | I559 D683 D684 L685 | I559-F689 HydrophobicContact CG2-CE1 4.33Å; I559-F689 HydrophobicContact CG2-CE2 3.99Å; I559-F689 HydrophobicContact CG2-CZ 3.54Å; D683-F689 CarbonylContact O-C 3.54Å; D684-F689 VanDerWaalsContact C-C 3.47Å; D684-F689 VanDerWaalsContact N-CA 3.3Å; L685-F689 VanDerWaalsContact CB-C 3.44Å; L685-F689 VanDerWaalsContact CB-N 3.3Å; L685-F689 WeakPolarHBondContact CB-O 3.38Å; L685-F689 PolarHBondContact N-O 3.33Å |
| 690 | K | 36.6 | Very low | 55.5 | Low | 116 Ų | 116 | 76.8 Ų | 76.8 | 50% | 0.504 | 40% | 0.404 | S | S | . | . | trans | -49.8 | 142.4 | -153.7 | -122.6 | 158.3 | -153.4 | 147.7 | 0 | 112.6 | D683 D684 L685 S692 | D683-K690 WeakPolarHBondContact O-CB 3.08Å; D683-K690 PolarHBondContact O-N 3.32Å; D684-K690 HydrophobicContact CB-CB 3.89Å; D684-K690 HydrophobicContact CB-CD 3.48Å; D684-K690 VanDerWaalsContact CB-CD 3.48Å; D684-K690 HydrophobicContact CB-CG 3.47Å; D684-K690 VanDerWaalsContact CB-CG 3.47Å; D684-K690 WeakPolarHBondContact O-CA 3.25Å; D684-K690 WeakPolarHBondContact O-CG 3.2Å; D684-K690 WeakPolarHBondContact OD2-CE 3.24Å; D684-K690 IonicContact OD2-NZ 2.84Å; D684-K690 PolarHBondContact OD2-NZ 2.97Å; L685-K690 VanDerWaalsContact N-CA 3.29Å; K690-S692 PolarHBondContact O-N 3.15Å; K690-S692 PolarHBondContact O-OG 3.1Å | ||
| 691 | V | 49.2 | Very low | 58.7 | Low | 45 Ų | 45 | 70.7 Ų | 70.7 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | trans | -80.9 | 69.1 | 167.5 | -166.1 | 0 | 0 | 0 | 0 | 109.1 | N704 I813 | V691-N704 HydrophobicContact CG1-CB 4.24Å; V691-N704 WeakPolarHBondContact CG1-ND2 3.33Å; V691-I813 HydrophobicContact CG1-CD1 4.15Å | ||
| 692 | S | 61.3 | Low | 61.7 | Low | 48 Ų | 48 | 63.8 Ų | 63.8 | 34% | 0.336 | 34% | 0.343 | S | S | . | . | trans | -67.3 | 166.1 | -170.6 | 32.2 | 0 | 0 | 0 | 0 | 114.2 | K690 D694 S703 R811 | K690-S692 PolarHBondContact O-N 3.15Å; K690-S692 PolarHBondContact O-OG 3.1Å; S692-D694 VanDerWaalsContact C-N 3.35Å; S692-D694 VanDerWaalsContact CB-OD1 3.27Å; S692-D694 WeakPolarHBondContact CB-OD1 3.31Å; S692-D694 PolarHBondContact O-N 3.5Å; S692-D694 PolarHBondContact OG-OD1 3.32Å; S692-S703 PolarHBondContact O-OG 2.82Å; S692-R811 PolarHBondContact O-NH1 3.45Å | ||
| 693 | M | 82.2 | Confident | 64.8 | Low | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.039 | 31% | 0.313 | C | S | . | . | trans | -73.2 | 87.4 | 162.1 | -165 | 80.9 | 77.3 | 0 | 0 | 108.4 | R695 Y701 T707 E713 L714 W717 I719 L774 | M693-R695 PolarHBondContact O-N 3.02Å; M693-Y701 HydrophobicContact CG-CD1 3.75Å; M693-Y701 HydrophobicContact CG-CG 4.16Å; M693-T707 HydrophobicContact CE-CG2 3.33Å; M693-T707 HydrophobicContact SD-CG2 3.82Å; M693-E713 HydrophobicContact CE-CG 4.39Å; M693-L714 HydrophobicContact CE-CD2 4.27Å; M693-W717 HydrophobicContact CB-CD2 3.82Å; M693-W717 HydrophobicContact CB-CE3 3.98Å; M693-W717 HydrophobicContact CB-CG 4.45Å; M693-W717 HydrophobicContact CB-CH2 4.02Å; M693-W717 HydrophobicContact CB-CZ2 3.86Å; M693-W717 HydrophobicContact CB-CZ3 4.08Å; M693-W717 HydrophobicContact CE-CB 4.16Å; M693-W717 HydrophobicContact CE-CD2 4.48Å; M693-W717 HydrophobicContact CE-CG 3.94Å; M693-W717 HydrophobicContact CG-CD2 3.75Å; M693-W717 HydrophobicContact CG-CE3 3.78Å; M693-W717 HydrophobicContact CG-CG 4.12Å; M693-W717 HydrophobicContact CG-CZ3 4.25Å; M693-I719 HydrophobicContact CE-CD1 3.59Å; M693-I719 HydrophobicContact CG-CD1 4.08Å; M693-I719 HydrophobicContact SD-CD1 3.5Å; M693-I719 VanDerWaalsContact SD-CD1 3.5Å; M693-L774 HydrophobicContact SD-CD1 3.88Å; M693-L774 HydrophobicContact SD-CD2 4.34Å | ||
| 694 | D | 87.7 | Confident | 67.5 | Low | 20 Ų | 20 | 56.7 Ų | 56.7 | 11% | 0.107 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 114 | -174.4 | -58.9 | -29 | 0 | 0 | 0 | 109.4 | S692 I696 Y701 L702 R811 | S692-D694 VanDerWaalsContact C-N 3.35Å; S692-D694 VanDerWaalsContact CB-OD1 3.27Å; S692-D694 WeakPolarHBondContact CB-OD1 3.31Å; S692-D694 PolarHBondContact O-N 3.5Å; S692-D694 PolarHBondContact OG-OD1 3.32Å; D694-I696 HydrophobicContact CB-CD1 4.39Å; D694-I696 PolarHBondContact O-N 3.42Å; D694-Y701 CarbonylContact O-C 3.25Å; D694-Y701 WeakPolarHBondContact O-CA 3.24Å; D694-L702 PolarHBondContact N-O 2.96Å; D694-L702 PolarHBondContact O-N 2.71Å; D694-R811 HydrophobicContact CB-CB 4.26Å; D694-R811 VanDerWaalsContact OD2-CB 3.22Å; D694-R811 WeakPolarHBondContact OD2-CB 3.4Å; D694-R811 WeakPolarHBondContact OD2-CD 3.45Å; D694-R811 WeakPolarHBondContact OD2-CG 3.22Å; D694-R811 IonicContact OD2-CZ 2.73Å; D694-R811 IonicContact OD2-NE 3.96Å; D694-R811 IonicContact OD2-NH1 3.12Å; D694-R811 PolarHBondContact OD2-NH1 3.46Å |
| 695 | R | 90.7 | Very high | 70.1 | Confident | 129 Ų | 129 | 54.6 Ų | 54.6 | 49% | 0.487 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 113.1 | 171.5 | -174.4 | 175.7 | 171.3 | 178.1 | -5 | 108.6 | M693 D697 D698 Y701 C810 | M693-R695 PolarHBondContact O-N 3.02Å; R695-D697 WeakPolarHBondContact CG-O 3.34Å; R695-D697 PolarHBondContact NE-O 3.05Å; R695-D697 VanDerWaalsContact NE-O 3.16Å; R695-D698 IonicContact CZ-OD1 2.64Å; R695-D698 IonicContact NH2-OD1 3.38Å; R695-D698 PolarHBondContact NH2-OD1 3.27Å; R695-Y701 HydrophobicContact CB-CD1 3.95Å; R695-Y701 HydrophobicContact CB-CE1 3.86Å; R695-Y701 HydrophobicContact CG-CD1 4.41Å; R695-Y701 HydrophobicContact CG-CE1 4.09Å; R695-C810 PolarHBondContact O-SG 3.08Å |
| 696 | I | 89.8 | Confident | 72.6 | Confident | 14 Ų | 14 | 59.6 Ų | 59.6 | 7% | 0.072 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -31.2 | 176.3 | -55.4 | -54.3 | 0 | 0 | 0 | 110.3 | D694 V700 L702 A788 L792 V807 C810 | D694-I696 HydrophobicContact CB-CD1 4.39Å; D694-I696 PolarHBondContact O-N 3.42Å; I696-V700 PolarHBondContact N-O 3.35Å; I696-L702 HydrophobicContact CD1-CB 3.97Å; I696-L702 HydrophobicContact CD1-CD1 4.5Å; I696-L702 HydrophobicContact CG1-CB 3.57Å; I696-L702 HydrophobicContact CG1-CD1 4.23Å; I696-A788 HydrophobicContact CG2-CB 4.33Å; I696-L792 HydrophobicContact CG2-CD1 3.81Å; I696-L792 HydrophobicContact CG2-CD2 4.27Å; I696-L792 HydrophobicContact CG2-CG 4.06Å; I696-V807 HydrophobicContact CD1-CG1 4.41Å; I696-V807 HydrophobicContact CG2-CG2 3.91Å; I696-C810 HydrophobicContact CD1-CB 3.73Å |
| 697 | D | 90.3 | Very high | 75 | Confident | 11 Ų | 11 | 53.6 Ų | 53.6 | 6% | 0.059 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 176.4 | -174.7 | -155.5 | -19.8 | 0 | 0 | 0 | 110.8 | R695 Y699 V700 Y791 L792 K795 Y796 | R695-D697 WeakPolarHBondContact CG-O 3.34Å; R695-D697 PolarHBondContact NE-O 3.05Å; R695-D697 VanDerWaalsContact NE-O 3.16Å; D697-Y699 PolarHBondContact O-N 3.04Å; D697-V700 HydrophobicContact CB-CB 3.95Å; D697-V700 HydrophobicContact CB-CG2 4.26Å; D697-V700 PolarHBondContact N-O 3.06Å; D697-V700 PolarHBondContact O-N 3.18Å; D697-Y791 HydrophobicContact CB-CE1 4.06Å; D697-Y791 WeakPolarHBondContact OD2-CE1 3.4Å; D697-L792 HydrophobicContact CB-CD2 4.13Å; D697-L792 WeakPolarHBondContact OD2-CD2 3.43Å; D697-K795 IonicContact OD1-NZ 2.69Å; D697-K795 PolarHBondContact OD1-NZ 3.2Å; D697-K795 WeakPolarHBondContact OD2-CD 3.32Å; D697-K795 WeakPolarHBondContact OD2-CE 3.36Å; D697-K795 IonicContact OD2-NZ 3.46Å; D697-K795 PolarHBondContact OD2-NZ 2.97Å; D697-Y796 PolarHBondContact OD1-OH 3.27Å; D697-Y796 WeakPolarHBondContact OD2-CE2 3.27Å |
| 698 | D | 86.9 | Confident | 77.6 | Confident | 78 Ų | 78 | 47.5 Ų | 47.5 | 42% | 0.417 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 123.7 | 164.4 | -66.5 | -21.6 | 0 | 0 | 0 | 110.5 | R695 V700 | R695-D698 IonicContact CZ-OD1 2.64Å; R695-D698 IonicContact NH2-OD1 3.38Å; R695-D698 PolarHBondContact NH2-OD1 3.27Å; D698-V700 PolarHBondContact O-N 3.21Å |
| 699 | Y | 91.8 | Very high | 80.2 | Confident | 113 Ų | 113 | 46.8 Ų | 46.8 | 44% | 0.443 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | -3.1 | -175.2 | -57.9 | -88.3 | 0 | 0 | 0 | 116.5 | D697 V767 G770 A772 I773 | D697-Y699 PolarHBondContact O-N 3.04Å; Y699-V767 HydrophobicContact CD2-CG1 4.37Å; Y699-G770 WeakPolarHBondContact CE1-O 3.26Å; Y699-A772 HydrophobicContact CD1-CB 4.32Å; Y699-A772 CarbonylContact O-C 3.39Å; Y699-A772 WeakPolarHBondContact O-CA 3.35Å; Y699-I773 WeakPolarHBondContact O-CG2 3.36Å; Y699-I773 PolarHBondContact O-N 2.76Å |
| 700 | V | 93.6 | Very high | 82.6 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 120.4 | -178.2 | -170.9 | 0 | 0 | 0 | 0 | 112.5 | I696 D697 D698 I763 V767 I773 V775 Y791 | I696-V700 PolarHBondContact N-O 3.35Å; D697-V700 HydrophobicContact CB-CB 3.95Å; D697-V700 HydrophobicContact CB-CG2 4.26Å; D697-V700 PolarHBondContact N-O 3.06Å; D697-V700 PolarHBondContact O-N 3.18Å; D698-V700 PolarHBondContact O-N 3.21Å; V700-I763 HydrophobicContact CG1-CG2 4.35Å; V700-I763 HydrophobicContact CG2-CG2 3.73Å; V700-V767 HydrophobicContact CG2-CG2 3.57Å; V700-I773 HydrophobicContact CB-CG2 4.34Å; V700-I773 HydrophobicContact CG1-CG2 4.33Å; V700-I773 HydrophobicContact CG2-CG2 3.89Å; V700-V775 HydrophobicContact CG1-CG2 4.12Å; V700-Y791 HydrophobicContact CB-CE1 4.27Å; V700-Y791 HydrophobicContact CG2-CD1 4.35Å; V700-Y791 HydrophobicContact CG2-CE1 3.57Å |
| 701 | Y | 94.4 | Very high | 85 | Confident | 31 Ų | 31 | 40.3 Ų | 40.3 | 12% | 0.122 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 152.1 | -177.3 | -60.3 | -95.3 | 0 | 0 | 0 | 111 | M693 D694 R695 W717 I719 A772 I773 L774 V775 | M693-Y701 HydrophobicContact CG-CD1 3.75Å; M693-Y701 HydrophobicContact CG-CG 4.16Å; D694-Y701 CarbonylContact O-C 3.25Å; D694-Y701 WeakPolarHBondContact O-CA 3.24Å; R695-Y701 HydrophobicContact CB-CD1 3.95Å; R695-Y701 HydrophobicContact CB-CE1 3.86Å; R695-Y701 HydrophobicContact CG-CD1 4.41Å; R695-Y701 HydrophobicContact CG-CE1 4.09Å; Y701-W717 HydrophobicContact CD1-CE3 4.13Å; Y701-W717 HydrophobicContact CD1-CZ3 4.43Å; Y701-W717 AromaticContact CE1-CE3 3.74Å; Y701-W717 HydrophobicContact CE1-CE3 3.74Å; Y701-W717 HydrophobicContact CE1-CZ3 4.05Å; Y701-I719 HydrophobicContact CD2-CD1 4.01Å; Y701-I719 HydrophobicContact CD2-CG1 4.21Å; Y701-I719 HydrophobicContact CG-CD1 3.97Å; Y701-A772 HydrophobicContact CE2-CB 4.01Å; Y701-I773 PolarHBondContact N-O 3.44Å; Y701-L774 WeakPolarHBondContact O-CA 3.49Å; Y701-V775 PolarHBondContact O-N 2.71Å |
| 702 | L | 92.1 | Very high | 86.7 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 129.4 | 179.2 | -164.3 | 154.1 | 0 | 0 | 0 | 111.5 | D694 I696 V775 P785 A788 R811 | D694-L702 PolarHBondContact N-O 2.96Å; D694-L702 PolarHBondContact O-N 2.71Å; I696-L702 HydrophobicContact CD1-CB 3.97Å; I696-L702 HydrophobicContact CD1-CD1 4.5Å; I696-L702 HydrophobicContact CG1-CB 3.57Å; I696-L702 HydrophobicContact CG1-CD1 4.23Å; L702-V775 WeakPolarHBondContact CA-O 3.38Å; L702-P785 HydrophobicContact CD1-CB 4.37Å; L702-P785 HydrophobicContact CD1-CG 4.08Å; L702-P785 HydrophobicContact CD2-CG 4.06Å; L702-A788 HydrophobicContact CD1-CB 3.61Å; L702-R811 VanDerWaalsContact CD2-CD 3.42Å; L702-R811 PolarHBondContact O-NH1 3.2Å |
| 703 | S | 90.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | -160 | 175.8 | -165.5 | 0 | 0 | 0 | 0 | 111.8 | S692 T707 V775 H776 G780 | S692-S703 PolarHBondContact O-OG 2.82Å; S703-T707 PolarHBondContact OG-OG1 2.95Å; S703-V775 PolarHBondContact N-O 3.04Å; S703-H776 WeakPolarHBondContact O-CB 3.38Å; S703-G780 WeakPolarHBondContact O-CA 3.16Å |
| 704 | N | 84.5 | Confident | 88.3 | Confident | 18 Ų | 18 | 44.1 Ų | 44.1 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | trans | -104.3 | 176 | -177 | 65.5 | 55.3 | 0 | 0 | 0 | 111.8 | V691 K706 T707 A708 C777 | V691-N704 HydrophobicContact CG1-CB 4.24Å; V691-N704 WeakPolarHBondContact CG1-ND2 3.33Å; N704-K706 VanDerWaalsContact C-N 3.31Å; N704-K706 PolarHBondContact O-N 3.02Å; N704-K706 VanDerWaalsContact OD1-CA 3.28Å; N704-K706 WeakPolarHBondContact OD1-CA 3.44Å; N704-K706 WeakPolarHBondContact OD1-CB 3.31Å; N704-K706 PolarHBondContact OD1-N 3.01Å; N704-T707 PolarHBondContact OD1-N 3.4Å; N704-A708 PolarHBondContact O-N 3.21Å; N704-C777 WeakPolarHBondContact CA-O 3.26Å | ||
| 705 | A | 85.7 | Confident | 88.4 | Confident | 17 Ų | 17 | 46.8 Ų | 46.8 | 14% | 0.14 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -14 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N709 C777 F778 | A705-N709 PolarHBondContact O-N 3.34Å; A705-N709 PolarHBondContact O-ND2 2.86Å; A705-C777 PolarHBondContact N-O 3.47Å; A705-F778 HydrophobicContact CB-CD2 4.41Å; A705-F778 PolarHBondContact N-O 3.47Å |
| 706 | K | 83 | Confident | 88.2 | Confident | 175 Ų | 175 | 48.1 Ų | 48.1 | 76% | 0.761 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -54.8 | 173.6 | -175.4 | -165.6 | 173.5 | -164.8 | 0 | 110 | N704 A708 N709 | N704-K706 VanDerWaalsContact C-N 3.31Å; N704-K706 PolarHBondContact O-N 3.02Å; N704-K706 VanDerWaalsContact OD1-CA 3.28Å; N704-K706 WeakPolarHBondContact OD1-CA 3.44Å; N704-K706 WeakPolarHBondContact OD1-CB 3.31Å; N704-K706 PolarHBondContact OD1-N 3.01Å; K706-A708 VanDerWaalsContact C-N 3.31Å; K706-A708 PolarHBondContact O-N 3.4Å; K706-N709 PolarHBondContact O-N 3.47Å; K706-N709 VanDerWaalsContact O-N 3.07Å |
| 707 | T | 85.3 | Confident | 88.1 | Confident | 5 Ų | 5 | 53.1 Ų | 53.1 | 3% | 0.031 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -56.6 | -43.9 | 176.2 | -69.2 | 0 | 0 | 0 | 0 | 111.3 | M693 S703 N704 N709 N710 E713 L774 | M693-T707 HydrophobicContact CE-CG2 3.33Å; M693-T707 HydrophobicContact SD-CG2 3.82Å; S703-T707 PolarHBondContact OG-OG1 2.95Å; N704-T707 PolarHBondContact OD1-N 3.4Å; T707-N709 PolarHBondContact O-N 3.27Å; T707-N709 VanDerWaalsContact O-N 3.13Å; T707-N710 PolarHBondContact O-N 3.42Å; T707-E713 VanDerWaalsContact CB-OE1 3.32Å; T707-E713 WeakPolarHBondContact CB-OE1 3.41Å; T707-E713 HydrophobicContact CG2-CG 4.28Å; T707-E713 WeakPolarHBondContact CG2-OE1 3.21Å; T707-E713 PolarHBondContact OG1-OE1 2.95Å; T707-L774 HydrophobicContact CG2-CD2 4.21Å |
| 708 | A | 88 | Confident | 88.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -66.1 | -13.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | N704 K706 V730 L774 H776 | N704-A708 PolarHBondContact O-N 3.21Å; K706-A708 VanDerWaalsContact C-N 3.31Å; K706-A708 PolarHBondContact O-N 3.4Å; A708-V730 HydrophobicContact CB-CG2 4.1Å; A708-V730 VanDerWaalsContact O-CG1 3.23Å; A708-V730 WeakPolarHBondContact O-CG1 3.41Å; A708-V730 WeakPolarHBondContact O-CG2 3.22Å; A708-L774 HydrophobicContact CB-CD2 3.84Å; A708-H776 HydrophobicContact CB-CB 4.29Å; A708-H776 VanDerWaalsContact CB-CD2 3.43Å; A708-H776 WeakPolarHBondContact CB-CD2 3.3Å; A708-H776 VanDerWaalsContact CB-CG 3.44Å; A708-H776 WeakPolarHBondContact CB-ND1 3.32Å |
| 709 | N | 84.7 | Confident | 88.4 | Confident | 40 Ų | 40 | 51.2 Ų | 51.2 | 21% | 0.214 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -98.6 | 5.4 | 173 | -81.7 | -93 | 0 | 0 | 0 | 113.1 | A705 K706 T707 K731 | A705-N709 PolarHBondContact O-N 3.34Å; A705-N709 PolarHBondContact O-ND2 2.86Å; K706-N709 PolarHBondContact O-N 3.47Å; K706-N709 VanDerWaalsContact O-N 3.07Å; T707-N709 PolarHBondContact O-N 3.27Å; T707-N709 VanDerWaalsContact O-N 3.13Å; N709-K731 WeakPolarHBondContact OD1-CB 3.15Å; N709-K731 PolarHBondContact OD1-N 3.49Å |
| 710 | N | 86.9 | Confident | 88.4 | Confident | 62 Ų | 62 | 48 Ų | 48 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | trans | -111.5 | 92.3 | -179 | -170.9 | 6.7 | 0 | 0 | 0 | 110.9 | T707 E712 E713 L714 | T707-N710 PolarHBondContact O-N 3.42Å; N710-E712 VanDerWaalsContact C-N 3.3Å; N710-E712 PolarHBondContact O-N 3.38Å; N710-E713 HydrophobicContact CB-CB 3.95Å; N710-E713 VanDerWaalsContact ND2-CB 3.3Å; N710-E713 WeakPolarHBondContact ND2-CB 3.24Å; N710-E713 PolarHBondContact ND2-OE2 2.62Å; N710-E713 PolarHBondContact O-N 3.37Å; N710-L714 WeakPolarHBondContact O-CG 3.29Å; N710-L714 PolarHBondContact O-N 3.16Å | ||
| 711 | S | 86.2 | Confident | 88.5 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 22% | 0.217 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.6 | -33 | -175.9 | 47 | 0 | 0 | 0 | 0 | 113.9 | L714 L715 | S711-L714 PolarHBondContact O-N 2.95Å; S711-L715 VanDerWaalsContact O-CG 3.3Å; S711-L715 WeakPolarHBondContact O-CG 3.28Å; S711-L715 PolarHBondContact O-N 3.29Å |
| 712 | E | 85.9 | Confident | 88.5 | Confident | 137 Ų | 137 | 48.1 Ų | 48.1 | 64% | 0.64 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -64.8 | -42.7 | 176.7 | -66.9 | 168.9 | -153.3 | 0 | 0 | 111.1 | N710 L715 Q716 | N710-E712 VanDerWaalsContact C-N 3.3Å; N710-E712 PolarHBondContact O-N 3.38Å; E712-L715 PolarHBondContact O-N 3.09Å; E712-Q716 WeakPolarHBondContact O-CB 3.35Å; E712-Q716 WeakPolarHBondContact O-CG 3.25Å; E712-Q716 PolarHBondContact O-N 2.95Å |
| 713 | E | 86.2 | Confident | 88.6 | Confident | 45 Ų | 45 | 48.1 Ų | 48.1 | 21% | 0.21 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.5 | -39.4 | 176.1 | -177.1 | -178.6 | 161.4 | 0 | 0 | 111.4 | M693 T707 N710 Q716 W717 | M693-E713 HydrophobicContact CE-CG 4.39Å; T707-E713 VanDerWaalsContact CB-OE1 3.32Å; T707-E713 WeakPolarHBondContact CB-OE1 3.41Å; T707-E713 HydrophobicContact CG2-CG 4.28Å; T707-E713 WeakPolarHBondContact CG2-OE1 3.21Å; T707-E713 PolarHBondContact OG1-OE1 2.95Å; N710-E713 HydrophobicContact CB-CB 3.95Å; N710-E713 VanDerWaalsContact ND2-CB 3.3Å; N710-E713 WeakPolarHBondContact ND2-CB 3.24Å; N710-E713 PolarHBondContact ND2-OE2 2.62Å; N710-E713 PolarHBondContact O-N 3.37Å; E713-Q716 PolarHBondContact O-N 3.02Å; E713-W717 PolarHBondContact O-N 2.85Å |
| 714 | L | 90.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -47 | 174.1 | -65.4 | 172.7 | 0 | 0 | 0 | 112 | M693 N710 S711 W717 G718 I719 V722 I737 L774 | M693-L714 HydrophobicContact CE-CD2 4.27Å; N710-L714 WeakPolarHBondContact O-CG 3.29Å; N710-L714 PolarHBondContact O-N 3.16Å; S711-L714 PolarHBondContact O-N 2.95Å; L714-W717 PolarHBondContact O-N 3.09Å; L714-G718 PolarHBondContact O-N 2.74Å; L714-I719 HydrophobicContact CB-CB 4.42Å; L714-I719 HydrophobicContact CD2-CB 4.34Å; L714-I719 HydrophobicContact CD2-CD1 4.45Å; L714-I719 HydrophobicContact CD2-CG2 4.11Å; L714-I719 WeakPolarHBondContact O-CB 3.46Å; L714-I719 PolarHBondContact O-N 2.76Å; L714-V722 HydrophobicContact CD1-CG2 4.03Å; L714-V722 HydrophobicContact CD2-CG2 4.39Å; L714-I737 HydrophobicContact CB-CD1 3.64Å; L714-I737 HydrophobicContact CD1-CD1 3.82Å; L714-I737 HydrophobicContact CG-CD1 4.39Å; L714-L774 HydrophobicContact CD2-CB 4.42Å; L714-L774 HydrophobicContact CD2-CD2 3.56Å |
| 715 | L | 89.1 | Confident | 89.1 | Confident | 76 Ų | 76 | 47.3 Ų | 47.3 | 40% | 0.398 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.8 | -37.7 | 179.4 | -68.3 | 171.3 | 0 | 0 | 0 | 112.5 | S711 E712 W717 G718 I737 | S711-L715 VanDerWaalsContact O-CG 3.3Å; S711-L715 WeakPolarHBondContact O-CG 3.28Å; S711-L715 PolarHBondContact O-N 3.29Å; E712-L715 PolarHBondContact O-N 3.09Å; L715-W717 PolarHBondContact O-N 3.39Å; L715-G718 PolarHBondContact O-N 2.66Å; L715-I737 HydrophobicContact CD2-CD1 4.24Å; L715-I737 HydrophobicContact CD2-CG1 4.26Å; L715-I737 HydrophobicContact CG-CD1 4.29Å |
| 716 | Q | 87.9 | Confident | 89.1 | Confident | 156 Ų | 156 | 47.2 Ų | 47.2 | 73% | 0.729 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -60.9 | -30.8 | 174.2 | -78 | 171.3 | 13.2 | 0 | 0 | 113.1 | E712 E713 G718 | E712-Q716 WeakPolarHBondContact O-CB 3.35Å; E712-Q716 WeakPolarHBondContact O-CG 3.25Å; E712-Q716 PolarHBondContact O-N 2.95Å; E713-Q716 PolarHBondContact O-N 3.02Å; Q716-G718 VanDerWaalsContact C-N 3.35Å |
| 717 | W | 87.7 | Confident | 89.1 | Confident | 120 Ų | 120 | 42.5 Ų | 42.5 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 5.4 | 174.2 | -74.4 | 76.3 | 0 | 0 | 0 | 113.5 | M693 Y701 E713 L714 L715 I719 | M693-W717 HydrophobicContact CB-CD2 3.82Å; M693-W717 HydrophobicContact CB-CE3 3.98Å; M693-W717 HydrophobicContact CB-CG 4.45Å; M693-W717 HydrophobicContact CB-CH2 4.02Å; M693-W717 HydrophobicContact CB-CZ2 3.86Å; M693-W717 HydrophobicContact CB-CZ3 4.08Å; M693-W717 HydrophobicContact CE-CB 4.16Å; M693-W717 HydrophobicContact CE-CD2 4.48Å; M693-W717 HydrophobicContact CE-CG 3.94Å; M693-W717 HydrophobicContact CG-CD2 3.75Å; M693-W717 HydrophobicContact CG-CE3 3.78Å; M693-W717 HydrophobicContact CG-CG 4.12Å; M693-W717 HydrophobicContact CG-CZ3 4.25Å; Y701-W717 HydrophobicContact CD1-CE3 4.13Å; Y701-W717 HydrophobicContact CD1-CZ3 4.43Å; Y701-W717 AromaticContact CE1-CE3 3.74Å; Y701-W717 HydrophobicContact CE1-CE3 3.74Å; Y701-W717 HydrophobicContact CE1-CZ3 4.05Å; E713-W717 PolarHBondContact O-N 2.85Å; L714-W717 PolarHBondContact O-N 3.09Å; L715-W717 PolarHBondContact O-N 3.39Å; W717-I719 VanDerWaalsContact C-N 3.26Å; W717-I719 HydrophobicContact CB-CD1 3.88Å; W717-I719 HydrophobicContact CB-CG1 3.94Å; W717-I719 PolarHBondContact O-N 3.35Å |
| 718 | G | 90 | Very high | 89.1 | Confident | 48 Ų | 48 | 49.8 Ų | 49.8 | 50% | 0.495 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 12.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L714 L715 Q716 N720 | L714-G718 PolarHBondContact O-N 2.74Å; L715-G718 PolarHBondContact O-N 2.66Å; Q716-G718 VanDerWaalsContact C-N 3.35Å; G718-N720 PolarHBondContact O-N 3.29Å |
| 719 | I | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 112 | -169.9 | -60.5 | 178.7 | 0 | 0 | 0 | 110.4 | M693 Y701 L714 W717 R721 V722 A772 L774 | M693-I719 HydrophobicContact CE-CD1 3.59Å; M693-I719 HydrophobicContact CG-CD1 4.08Å; M693-I719 HydrophobicContact SD-CD1 3.5Å; M693-I719 VanDerWaalsContact SD-CD1 3.5Å; Y701-I719 HydrophobicContact CD2-CD1 4.01Å; Y701-I719 HydrophobicContact CD2-CG1 4.21Å; Y701-I719 HydrophobicContact CG-CD1 3.97Å; L714-I719 HydrophobicContact CB-CB 4.42Å; L714-I719 HydrophobicContact CD2-CB 4.34Å; L714-I719 HydrophobicContact CD2-CD1 4.45Å; L714-I719 HydrophobicContact CD2-CG2 4.11Å; L714-I719 WeakPolarHBondContact O-CB 3.46Å; L714-I719 PolarHBondContact O-N 2.76Å; W717-I719 VanDerWaalsContact C-N 3.26Å; W717-I719 HydrophobicContact CB-CD1 3.88Å; W717-I719 HydrophobicContact CB-CG1 3.94Å; W717-I719 PolarHBondContact O-N 3.35Å; I719-R721 WeakPolarHBondContact CG2-O 3.33Å; I719-V722 HydrophobicContact CG2-CG2 4.38Å; I719-A772 HydrophobicContact CG1-CB 4.28Å; I719-L774 HydrophobicContact CD1-CB 4.2Å; I719-L774 HydrophobicContact CG2-CB 3.88Å |
| 720 | N | 92.2 | Very high | 89.2 | Confident | 46 Ų | 46 | 51.1 Ų | 51.1 | 25% | 0.246 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 8.4 | -178.6 | 65.8 | 5.2 | 0 | 0 | 0 | 113.2 | G718 R738 N771 A772 | G718-N720 PolarHBondContact O-N 3.29Å; N720-R738 PolarHBondContact O-N 2.94Å; N720-N771 PolarHBondContact ND2-OD1 2.74Å; N720-N771 VanDerWaalsContact OD1-CB 3.22Å; N720-N771 WeakPolarHBondContact OD1-CB 3.42Å; N720-N771 PolarHBondContact OD1-OD1 3.05Å; N720-A772 PolarHBondContact N-O 2.83Å; N720-A772 VanDerWaalsContact N-O 3.13Å; N720-A772 PolarHBondContact OD1-N 3.49Å; N720-A772 PolarHBondContact OD1-O 3.18Å |
| 721 | R | 94.5 | Very high | 88.9 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 13% | 0.128 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 136.6 | 173.2 | -62.8 | -78 | 178.2 | -82.3 | 3.9 | 109.5 | I719 R738 Y762 S766 E769 N771 A772 I773 L774 | I719-R721 WeakPolarHBondContact CG2-O 3.33Å; R721-R738 WeakPolarHBondContact CA-O 3.23Å; R721-Y762 WeakPolarHBondContact CD-OH 3.48Å; R721-S766 WeakPolarHBondContact CD-OG 3.5Å; R721-S766 WeakPolarHBondContact CG-OG 3.15Å; R721-E769 IonicContact CZ-OE2 3.19Å; R721-E769 IonicContact NE-OE2 3.96Å; R721-E769 PolarHBondContact NE-OE2 3.5Å; R721-E769 IonicContact NH2-OE2 3.51Å; R721-E769 PolarHBondContact NH2-OE2 3.11Å; R721-N771 HydrophobicContact CG-CB 3.71Å; R721-N771 PolarHBondContact NH2-ND2 2.84Å; R721-A772 PolarHBondContact N-O 3.35Å; R721-A772 VanDerWaalsContact N-O 3.13Å; R721-I773 HydrophobicContact CB-CB 3.74Å; R721-I773 HydrophobicContact CB-CD1 4.29Å; R721-I773 HydrophobicContact CB-CG1 3.85Å; R721-I773 VanDerWaalsContact O-CA 3.31Å; R721-I773 WeakPolarHBondContact O-CA 3.26Å; R721-L774 PolarHBondContact O-N 3.02Å |
| 722 | V | 94.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 114.2 | 177.5 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | L714 I719 V730 I737 R738 Y739 Y740 L774 H776 | L714-V722 HydrophobicContact CD1-CG2 4.03Å; L714-V722 HydrophobicContact CD2-CG2 4.39Å; I719-V722 HydrophobicContact CG2-CG2 4.38Å; V722-V730 HydrophobicContact CG1-CG2 4.47Å; V722-I737 HydrophobicContact CG2-CG2 3.63Å; V722-R738 PolarHBondContact N-O 3.48Å; V722-Y739 HydrophobicContact CB-CD1 3.68Å; V722-Y739 HydrophobicContact CB-CE1 4.04Å; V722-Y739 HydrophobicContact CB-CG 4.45Å; V722-Y739 HydrophobicContact CG1-CD1 3.96Å; V722-Y739 HydrophobicContact CG1-CE1 4.29Å; V722-Y739 HydrophobicContact CG2-CD1 4.08Å; V722-Y739 HydrophobicContact CG2-CE1 3.91Å; V722-Y740 PolarHBondContact O-N 3.47Å; V722-L774 CarbonylContact C-O 3.44Å; V722-L774 WeakPolarHBondContact CA-O 3.46Å; V722-L774 HydrophobicContact CG2-CB 4.47Å; V722-H776 WeakPolarHBondContact CG1-NE2 3.4Å |
| 723 | L | 95.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 109.1 | 170.2 | 174.6 | 58.3 | 0 | 0 | 0 | 109.9 | V725 Y740 V742 C759 Y762 I763 I773 L774 V775 H776 V787 | L723-V725 HydrophobicContact CD1-CG1 4.01Å; L723-V725 HydrophobicContact CD2-CG1 4.45Å; L723-V725 HydrophobicContact CG-CG1 4.04Å; L723-Y740 HydrophobicContact CD1-CD1 3.9Å; L723-V742 HydrophobicContact CD1-CG2 3.94Å; L723-C759 HydrophobicContact CD2-CB 3.96Å; L723-Y762 HydrophobicContact CB-CD1 4.04Å; L723-Y762 HydrophobicContact CB-CE1 4.14Å; L723-Y762 HydrophobicContact CD1-CD1 4.35Å; L723-I763 HydrophobicContact CD2-CD1 3.85Å; L723-I763 HydrophobicContact CD2-CG1 3.84Å; L723-I773 HydrophobicContact CB-CD1 4.07Å; L723-L774 PolarHBondContact N-O 3.4Å; L723-V775 HydrophobicContact CB-CG2 4.41Å; L723-V775 HydrophobicContact CD2-CG1 3.94Å; L723-V775 HydrophobicContact CD2-CG2 4.22Å; L723-V775 HydrophobicContact CG-CG1 4.2Å; L723-H776 PolarHBondContact O-CD2 3.27Å; L723-H776 PolarHBondContact O-N 3.42Å; L723-V787 HydrophobicContact CD2-CG1 4.15Å |
| 724 | T | 94.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.012 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 113.7 | 174.5 | -52.6 | 0 | 0 | 0 | 0 | 109.6 | D726 Y740 F741 V742 H776 | T724-D726 HydrophobicContact CG2-CB 4.09Å; T724-Y740 PolarHBondContact N-O 3.19Å; T724-F741 HydrophobicContact CG2-CD2 3.76Å; T724-F741 HydrophobicContact CG2-CE2 4.24Å; T724-V742 PolarHBondContact O-N 2.85Å; T724-H776 WeakPolarHBondContact CA-NE2 3.29Å; T724-H776 WeakPolarHBondContact CB-NE2 3.02Å; T724-H776 WeakPolarHBondContact CG2-CE1 3.47Å; T724-H776 WeakPolarHBondContact CG2-NE2 3Å; T724-H776 PolarHBondContact OG1-NE2 2.94Å |
| 725 | V | 90.2 | Very high | 88 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 72.2 | 177 | -76.9 | 0 | 0 | 0 | 0 | 109.8 | L723 V742 M744 V775 H776 C777 V787 | L723-V725 HydrophobicContact CD1-CG1 4.01Å; L723-V725 HydrophobicContact CD2-CG1 4.45Å; L723-V725 HydrophobicContact CG-CG1 4.04Å; V725-V742 HydrophobicContact CG1-CB 4.24Å; V725-M744 HydrophobicContact CB-CE 4.25Å; V725-M744 HydrophobicContact CB-CG 4.47Å; V725-M744 HydrophobicContact CB-SD 3.61Å; V725-M744 HydrophobicContact CG1-CE 3.67Å; V725-M744 HydrophobicContact CG1-SD 3.74Å; V725-V775 HydrophobicContact CG2-CG1 4.15Å; V725-H776 WeakPolarHBondContact CG2-O 3.32Å; V725-H776 PolarHBondContact N-O 2.91Å; V725-C777 HydrophobicContact CG2-CB 4.41Å; V725-C777 WeakPolarHBondContact O-CB 3.48Å; V725-V787 HydrophobicContact CG1-CG2 4.33Å |
| 726 | D | 85.9 | Confident | 87.8 | Confident | 14 Ų | 14 | 75.5 Ų | 75.5 | 8% | 0.075 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 178.7 | -171.6 | -148.3 | -22.3 | 0 | 0 | 0 | 112.9 | T724 K728 F741 H743 M744 F778 R783 | T724-D726 HydrophobicContact CG2-CB 4.09Å; D726-K728 VanDerWaalsContact C-N 3.28Å; D726-K728 PolarHBondContact O-N 2.96Å; D726-F741 VanDerWaalsContact O-CE2 3.27Å; D726-F741 WeakPolarHBondContact O-CE2 3.35Å; D726-H743 WeakPolarHBondContact O-CA 3.23Å; D726-M744 CarbonylContact C-O 3.55Å; D726-M744 VanDerWaalsContact C-O 3.22Å; D726-M744 PolarHBondContact O-N 3.16Å; D726-F778 VanDerWaalsContact OD2-CA 3.28Å; D726-F778 WeakPolarHBondContact OD2-CA 3.48Å; D726-F778 WeakPolarHBondContact OD2-CB 3.43Å; D726-F778 PolarHBondContact OD2-N 2.93Å; D726-R783 IonicContact OD1-CZ 2.69Å; D726-R783 IonicContact OD1-NH1 3.58Å; D726-R783 PolarHBondContact OD1-NH1 2.79Å; D726-R783 IonicContact OD1-NH2 2.68Å; D726-R783 PolarHBondContact OD1-NH2 2.88Å |
| 727 | I | 83.4 | Confident | 87.9 | Confident | 76 Ų | 76 | 68.4 Ų | 68.4 | 39% | 0.39 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -69.5 | -29.6 | 176.6 | -59.2 | 169.4 | 0 | 0 | 0 | 110.6 | H743 M744 E745 | I727-H743 PolarHBondContact O-ND1 3.45Å; I727-H743 VanDerWaalsContact O-ND1 3.11Å; I727-M744 PolarHBondContact N-O 3.07Å; I727-E745 HydrophobicContact CG1-CG 4.37Å |
| 728 | K | 83.7 | Confident | 88.2 | Confident | 158 Ų | 158 | 69.7 Ų | 69.7 | 69% | 0.687 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -136.2 | 146.8 | -174.4 | -60.5 | -173.6 | 179.9 | -176.4 | 0 | 111.7 | D726 | D726-K728 VanDerWaalsContact C-N 3.28Å; D726-K728 PolarHBondContact O-N 2.96Å |
| 729 | P | 88.2 | Confident | 88.3 | Confident | 62 Ų | 62 | 69.3 Ų | 69.3 | 40% | 0.403 | 32% | 0.316 | S | S | . | . | trans | -70.3 | 168.6 | 175.6 | 30.3 | -36.3 | 0 | 0 | 0 | 112.6 | M733 F741 | P729-M733 HydrophobicContact CB-CE 4.43Å; P729-F741 HydrophobicContact CB-CB 4.23Å; P729-F741 HydrophobicContact CB-CD1 4.26Å; P729-F741 HydrophobicContact CB-CD2 4Å; P729-F741 HydrophobicContact CB-CE2 4.44Å; P729-F741 HydrophobicContact CB-CG 3.89Å | ||
| 730 | V | 86.6 | Confident | 88.4 | Confident | 6 Ų | 6 | 73.3 Ų | 73.3 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | trans | -57.9 | 137.8 | 168.5 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | A708 V722 R732 Y739 H776 | A708-V730 HydrophobicContact CB-CG2 4.1Å; A708-V730 VanDerWaalsContact O-CG1 3.23Å; A708-V730 WeakPolarHBondContact O-CG1 3.41Å; A708-V730 WeakPolarHBondContact O-CG2 3.22Å; V722-V730 HydrophobicContact CG1-CG2 4.47Å; V730-R732 VanDerWaalsContact CG1-O 3.24Å; V730-R732 WeakPolarHBondContact CG1-O 3.21Å; V730-Y739 HydrophobicContact CB-CD1 4.07Å; V730-Y739 HydrophobicContact CB-CE1 4.13Å; V730-Y739 HydrophobicContact CG1-CD1 4.3Å; V730-Y739 HydrophobicContact CG1-CE1 3.85Å; V730-Y739 HydrophobicContact CG2-CD1 4.09Å; V730-Y739 HydrophobicContact CG2-CE1 4.2Å; V730-H776 WeakPolarHBondContact CG2-NE2 3.29Å | ||
| 731 | K | 80.6 | Confident | 88.4 | Confident | 192 Ų | 192 | 75 Ų | 75 | 84% | 0.835 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -86.1 | -24.7 | -175.6 | -59.8 | -178.4 | 179.1 | -179.9 | 0 | 114.1 | N709 | N709-K731 WeakPolarHBondContact OD1-CB 3.15Å; N709-K731 PolarHBondContact OD1-N 3.49Å |
| 732 | R | 76 | Confident | 88.2 | Confident | 188 Ų | 188 | 73.7 Ų | 73.7 | 71% | 0.709 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -123.3 | 106 | -179.4 | -70 | -178.5 | 175.4 | -178.6 | -3.1 | 108.6 | V730 | V730-R732 VanDerWaalsContact CG1-O 3.24Å; V730-R732 WeakPolarHBondContact CG1-O 3.21Å |
| 733 | M | 81.1 | Confident | 88 | Confident | 116 Ų | 116 | 77.3 Ų | 77.3 | 57% | 0.571 | 35% | 0.349 | S | S | * | . | trans | -99.7 | 127 | 179.4 | -64.9 | -179.9 | 179.8 | 0 | 0 | 109.7 | P729 Y739 | P729-M733 HydrophobicContact CB-CE 4.43Å; M733-Y739 VanDerWaalsContact CA-CE2 3.48Å; M733-Y739 HydrophobicContact CB-CD2 3.8Å; M733-Y739 HydrophobicContact CB-CE2 3.54Å; M733-Y739 HydrophobicContact CG-CD1 4.46Å; M733-Y739 HydrophobicContact CG-CD2 3.68Å; M733-Y739 HydrophobicContact CG-CE2 3.81Å; M733-Y739 HydrophobicContact CG-CG 4.05Å; M733-Y739 HydrophobicContact SD-CD2 4.19Å; M733-Y739 HydrophobicContact SD-CG 4.42Å | ||
| 734 | H | 87.4 | Confident | 87.3 | Confident | 65 Ų | 65 | 77.4 Ų | 77.4 | 30% | 0.301 | 35% | 0.35 | S | S | . | . | trans | -80.2 | 155 | 170.1 | -152 | -99.8 | 0 | 0 | 0 | 110.8 | D736 I737 Y739 | H734-D736 IonicContact CE1-OD2 3.53Å; H734-D736 PolarHBondContact CE1-OD2 3.4Å; H734-D736 IonicContact ND1-OD2 3.69Å; H734-D736 PolarHBondContact ND1-OD2 3.46Å; H734-I737 HydrophobicContact CB-CB 4.17Å; H734-I737 HydrophobicContact CB-CD1 3.84Å; H734-I737 HydrophobicContact CB-CG1 3.93Å; H734-Y739 PolarHBondContact N-OH 2.72Å; H734-Y739 VanDerWaalsContact N-OH 3.1Å | ||
| 735 | Q | 85.5 | Confident | 86.2 | Confident | 192 Ų | 192 | 81 Ų | 81 | 90% | 0.897 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -40 | -178.7 | -66.9 | -176.8 | -8.1 | 0 | 0 | 112.1 | I737 | Q735-I737 VanDerWaalsContact C-N 3.29Å; Q735-I737 PolarHBondContact O-N 3.13Å |
| 736 | D | 86.2 | Confident | 84.8 | Confident | 110 Ų | 110 | 84.8 Ų | 84.8 | 59% | 0.588 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -3.5 | -178.5 | -42 | -77.8 | 0 | 0 | 0 | 114.6 | H734 | H734-D736 IonicContact CE1-OD2 3.53Å; H734-D736 PolarHBondContact CE1-OD2 3.4Å; H734-D736 IonicContact ND1-OD2 3.69Å; H734-D736 PolarHBondContact ND1-OD2 3.46Å |
| 737 | I | 90.4 | Very high | 83.1 | Confident | 7 Ų | 7 | 86.9 Ų | 86.9 | 4% | 0.036 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -110.2 | 121 | -176.3 | -58 | 179.4 | 0 | 0 | 0 | 109.1 | L714 L715 V722 H734 Q735 Y739 | L714-I737 HydrophobicContact CB-CD1 3.64Å; L714-I737 HydrophobicContact CD1-CD1 3.82Å; L714-I737 HydrophobicContact CG-CD1 4.39Å; L715-I737 HydrophobicContact CD2-CD1 4.24Å; L715-I737 HydrophobicContact CD2-CG1 4.26Å; L715-I737 HydrophobicContact CG-CD1 4.29Å; V722-I737 HydrophobicContact CG2-CG2 3.63Å; H734-I737 HydrophobicContact CB-CB 4.17Å; H734-I737 HydrophobicContact CB-CD1 3.84Å; H734-I737 HydrophobicContact CB-CG1 3.93Å; Q735-I737 VanDerWaalsContact C-N 3.29Å; Q735-I737 PolarHBondContact O-N 3.13Å; I737-Y739 HydrophobicContact CB-CE2 3.74Å; I737-Y739 HydrophobicContact CG2-CD2 4.27Å; I737-Y739 HydrophobicContact CG2-CE1 4.07Å; I737-Y739 HydrophobicContact CG2-CE2 3.71Å; I737-Y739 WeakPolarHBondContact O-CD2 3.48Å; I737-Y739 WeakPolarHBondContact O-CE2 3.47Å |
| 738 | R | 92.2 | Very high | 81.2 | Confident | 148 Ų | 148 | 85.9 Ų | 85.9 | 56% | 0.558 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 115.2 | 176.4 | -167.7 | 178.7 | -172.8 | -174.7 | 3.4 | 109.6 | N720 R721 V722 Y762 | N720-R738 PolarHBondContact O-N 2.94Å; R721-R738 WeakPolarHBondContact CA-O 3.23Å; V722-R738 PolarHBondContact N-O 3.48Å; R738-Y762 PolarHBondContact O-OH 2.85Å |
| 739 | Y | 92.6 | Very high | 79.5 | Confident | 40 Ų | 40 | 83.8 Ų | 83.8 | 16% | 0.157 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 136.4 | 176.8 | -59.1 | -95.7 | 0 | 0 | 0 | 110.7 | V722 V730 M733 H734 I737 | V722-Y739 HydrophobicContact CB-CD1 3.68Å; V722-Y739 HydrophobicContact CB-CE1 4.04Å; V722-Y739 HydrophobicContact CB-CG 4.45Å; V722-Y739 HydrophobicContact CG1-CD1 3.96Å; V722-Y739 HydrophobicContact CG1-CE1 4.29Å; V722-Y739 HydrophobicContact CG2-CD1 4.08Å; V722-Y739 HydrophobicContact CG2-CE1 3.91Å; V730-Y739 HydrophobicContact CB-CD1 4.07Å; V730-Y739 HydrophobicContact CB-CE1 4.13Å; V730-Y739 HydrophobicContact CG1-CD1 4.3Å; V730-Y739 HydrophobicContact CG1-CE1 3.85Å; V730-Y739 HydrophobicContact CG2-CD1 4.09Å; V730-Y739 HydrophobicContact CG2-CE1 4.2Å; M733-Y739 VanDerWaalsContact CA-CE2 3.48Å; M733-Y739 HydrophobicContact CB-CD2 3.8Å; M733-Y739 HydrophobicContact CB-CE2 3.54Å; M733-Y739 HydrophobicContact CG-CD1 4.46Å; M733-Y739 HydrophobicContact CG-CD2 3.68Å; M733-Y739 HydrophobicContact CG-CE2 3.81Å; M733-Y739 HydrophobicContact CG-CG 4.05Å; M733-Y739 HydrophobicContact SD-CD2 4.19Å; M733-Y739 HydrophobicContact SD-CG 4.42Å; H734-Y739 PolarHBondContact N-OH 2.72Å; H734-Y739 VanDerWaalsContact N-OH 3.1Å; I737-Y739 HydrophobicContact CB-CE2 3.74Å; I737-Y739 HydrophobicContact CG2-CD2 4.27Å; I737-Y739 HydrophobicContact CG2-CE1 4.07Å; I737-Y739 HydrophobicContact CG2-CE2 3.71Å; I737-Y739 WeakPolarHBondContact O-CD2 3.48Å; I737-Y739 WeakPolarHBondContact O-CE2 3.47Å |
| 740 | Y | 94.1 | Very high | 78.3 | Confident | 84 Ų | 84 | 84.8 Ų | 84.8 | 33% | 0.329 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 127.5 | 168.9 | -168.8 | -113.4 | 0 | 0 | 0 | 108.6 | V722 L723 T724 V742 Y762 | V722-Y740 PolarHBondContact O-N 3.47Å; L723-Y740 HydrophobicContact CD1-CD1 3.9Å; T724-Y740 PolarHBondContact N-O 3.19Å; Y740-V742 HydrophobicContact CD1-CG2 3.76Å; Y740-V742 HydrophobicContact CE1-CG2 3.45Å; Y740-V742 VanDerWaalsContact CE1-CG2 3.45Å; Y740-Y762 VanDerWaalsContact CB-CZ 3.45Å; Y740-Y762 HydrophobicContact CD1-CD1 4.04Å; Y740-Y762 HydrophobicContact CD1-CD2 4.15Å; Y740-Y762 AromaticContact CD1-CG 3.81Å; Y740-Y762 HydrophobicContact CD1-CG 3.81Å; Y740-Y762 HydrophobicContact CD2-CD2 4.45Å; Y740-Y762 HydrophobicContact CE1-CG 4.44Å; Y740-Y762 HydrophobicContact CG-CD1 4.28Å; Y740-Y762 AromaticContact CG-CD2 3.97Å; Y740-Y762 HydrophobicContact CG-CD2 3.97Å; Y740-Y762 HydrophobicContact CG-CE1 4.39Å; Y740-Y762 HydrophobicContact CG-CE2 4.1Å; Y740-Y762 HydrophobicContact CG-CG 4.07Å |
| 741 | F | 93.4 | Very high | 77.3 | Confident | 80 Ų | 80 | 88.3 Ų | 88.3 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 118.3 | -175.8 | 171.4 | -118.2 | 0 | 0 | 0 | 109.7 | T724 D726 P729 H743 | T724-F741 HydrophobicContact CG2-CD2 3.76Å; T724-F741 HydrophobicContact CG2-CE2 4.24Å; D726-F741 VanDerWaalsContact O-CE2 3.27Å; D726-F741 WeakPolarHBondContact O-CE2 3.35Å; P729-F741 HydrophobicContact CB-CB 4.23Å; P729-F741 HydrophobicContact CB-CD1 4.26Å; P729-F741 HydrophobicContact CB-CD2 4Å; P729-F741 HydrophobicContact CB-CE2 4.44Å; P729-F741 HydrophobicContact CB-CG 3.89Å; F741-H743 HydrophobicContact CE1-CB 3.93Å; F741-H743 HydrophobicContact CZ-CB 3.78Å; F741-H743 AromaticContact CZ-ND1 3.99Å |
| 742 | V | 90.8 | Very high | 76.6 | Confident | 8 Ų | 8 | 79.5 Ų | 79.5 | 5% | 0.048 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 111.2 | 173.1 | -177.4 | 0 | 0 | 0 | 0 | 106.7 | L723 T724 V725 Y740 M744 | L723-V742 HydrophobicContact CD1-CG2 3.94Å; T724-V742 PolarHBondContact O-N 2.85Å; V725-V742 HydrophobicContact CG1-CB 4.24Å; Y740-V742 HydrophobicContact CD1-CG2 3.76Å; Y740-V742 HydrophobicContact CE1-CG2 3.45Å; Y740-V742 VanDerWaalsContact CE1-CG2 3.45Å; V742-M744 HydrophobicContact CB-CE 4.45Å; V742-M744 HydrophobicContact CG1-CE 3.73Å; V742-M744 HydrophobicContact CG1-CG 4.3Å; V742-M744 PolarHBondContact O-N 3.21Å |
| 743 | H | 88.9 | Confident | 76.1 | Confident | 75 Ų | 75 | 73.4 Ų | 73.4 | 35% | 0.347 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 117.5 | -177.8 | 176.6 | 69.2 | 0 | 0 | 0 | 110 | D726 I727 F741 W750 | D726-H743 WeakPolarHBondContact O-CA 3.23Å; I727-H743 PolarHBondContact O-ND1 3.45Å; I727-H743 VanDerWaalsContact O-ND1 3.11Å; F741-H743 HydrophobicContact CE1-CB 3.93Å; F741-H743 HydrophobicContact CZ-CB 3.78Å; F741-H743 AromaticContact CZ-ND1 3.99Å; H743-W750 AromaticContact CD2-CH2 3.42Å; H743-W750 VanDerWaalsContact CD2-CH2 3.42Å; H743-W750 WeakPolarHBondContact CD2-CH2 3.41Å; H743-W750 AromaticContact CD2-CZ2 3.57Å; H743-W750 AromaticContact NE2-CH2 3.53Å; H743-W750 WeakPolarHBondContact O-CZ2 3.32Å |
| 744 | M | 82.1 | Confident | 75.8 | Confident | 2 Ų | 2 | 71.3 Ų | 71.3 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | trans | -137.4 | 112.7 | 178.9 | -66.7 | -174.2 | -178 | 0 | 0 | 109.9 | V725 D726 I727 V742 L752 C759 R783 V787 | V725-M744 HydrophobicContact CB-CE 4.25Å; V725-M744 HydrophobicContact CB-CG 4.47Å; V725-M744 HydrophobicContact CB-SD 3.61Å; V725-M744 HydrophobicContact CG1-CE 3.67Å; V725-M744 HydrophobicContact CG1-SD 3.74Å; D726-M744 CarbonylContact C-O 3.55Å; D726-M744 VanDerWaalsContact C-O 3.22Å; D726-M744 PolarHBondContact O-N 3.16Å; I727-M744 PolarHBondContact N-O 3.07Å; V742-M744 HydrophobicContact CB-CE 4.45Å; V742-M744 HydrophobicContact CG1-CE 3.73Å; V742-M744 HydrophobicContact CG1-CG 4.3Å; V742-M744 PolarHBondContact O-N 3.21Å; M744-L752 HydrophobicContact CE-CD1 3.38Å; M744-L752 HydrophobicContact SD-CD1 3.45Å; M744-L752 WeakPolarHBondContact SD-CD1 3.27Å; M744-C759 WeakPolarHBondContact CE-SG 3.27Å; M744-R783 PolarHBondContact O-NH1 3.44Å; M744-V787 HydrophobicContact CE-CG2 4.35Å | ||
| 745 | E | 70.2 | Confident | 75.4 | Confident | 79 Ų | 79 | 68.9 Ų | 68.9 | 37% | 0.369 | 34% | 0.337 | S | S | . | . | trans | -72.2 | 152.4 | 167.5 | -56.3 | -162 | 143.2 | 0 | 0 | 110.8 | I727 D747 W750 | I727-E745 HydrophobicContact CG1-CG 4.37Å; E745-D747 HydrophobicContact CB-CB 4.16Å; E745-D747 PolarHBondContact O-N 2.87Å; E745-D747 VanDerWaalsContact O-N 3.08Å; E745-W750 HydrophobicContact CB-CD2 4.27Å; E745-W750 HydrophobicContact CB-CE3 3.82Å; E745-W750 HydrophobicContact CB-CZ3 4.2Å; E745-W750 HydrophobicContact CG-CE3 3.83Å; E745-W750 HydrophobicContact CG-CH2 4.22Å; E745-W750 HydrophobicContact CG-CZ3 3.66Å | ||
| 746 | D | 61.6 | Low | 75.3 | Confident | 78 Ų | 78 | 60 Ų | 60 | 42% | 0.417 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -81.3 | 34.5 | 170.5 | -126 | -41.6 | 0 | 0 | 0 | 110.5 | S782 R783 | D746-S782 PolarHBondContact OD1-OG 3.13Å; D746-R783 IonicContact OD1-NE 2.78Å; D746-R783 IonicContact OD2-CZ 3.83Å; D746-R783 IonicContact OD2-NE 2.72Å; D746-R783 PolarHBondContact OD2-NE 3.46Å; D746-R783 IonicContact OD2-NH2 3.36Å; D746-R783 PolarHBondContact OD2-NH2 3.18Å |
| 747 | D | 49.7 | Very low | 75.1 | Confident | 59 Ų | 59 | 62.6 Ų | 62.6 | 32% | 0.316 | 30% | 0.302 | S | S | . | . | trans | -89.9 | 132.6 | -179.6 | -174.5 | -83.6 | 0 | 0 | 0 | 110.7 | E745 N749 W750 | E745-D747 HydrophobicContact CB-CB 4.16Å; E745-D747 PolarHBondContact O-N 2.87Å; E745-D747 VanDerWaalsContact O-N 3.08Å; D747-N749 PolarHBondContact O-N 3.03Å; D747-N749 VanDerWaalsContact O-N 3.14Å; D747-N749 WeakPolarHBondContact OD1-CA 3.35Å; D747-N749 WeakPolarHBondContact OD1-CB 3.04Å; D747-N749 PolarHBondContact OD1-N 3.49Å; D747-N749 PolarHBondContact OD1-ND2 2.92Å; D747-W750 WeakPolarHBondContact O-CB 3.47Å; D747-W750 PolarHBondContact O-N 3.43Å; D747-W750 VanDerWaalsContact O-N 3.16Å | ||
| 748 | P | 44.8 | Very low | 75 | Confident | 54 Ų | 54 | 67.2 Ų | 67.2 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -10.8 | -176.2 | 28.9 | -37.6 | 0 | 0 | 0 | 115.1 | F650 | F650-P748 HydrophobicContact CB-CB 3.44Å; F650-P748 VanDerWaalsContact CB-CB 3.44Å |
| 749 | N | 46.9 | Very low | 74.9 | Confident | 114 Ų | 114 | 60.2 Ų | 60.2 | 61% | 0.61 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -15.2 | 176.7 | -47.9 | -80.8 | 0 | 0 | 0 | 112.5 | D747 D751 | D747-N749 PolarHBondContact O-N 3.03Å; D747-N749 VanDerWaalsContact O-N 3.14Å; D747-N749 WeakPolarHBondContact OD1-CA 3.35Å; D747-N749 WeakPolarHBondContact OD1-CB 3.04Å; D747-N749 PolarHBondContact OD1-N 3.49Å; D747-N749 PolarHBondContact OD1-ND2 2.92Å; N749-D751 PolarHBondContact O-N 3.36Å |
| 750 | W | 62.8 | Low | 74.9 | Confident | 83 Ų | 83 | 58.8 Ų | 58.8 | 31% | 0.314 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -56.4 | 131.8 | -177 | -162.8 | -90.5 | 0 | 0 | 0 | 111.5 | H743 E745 D747 L752 | H743-W750 AromaticContact CD2-CH2 3.42Å; H743-W750 VanDerWaalsContact CD2-CH2 3.42Å; H743-W750 WeakPolarHBondContact CD2-CH2 3.41Å; H743-W750 AromaticContact CD2-CZ2 3.57Å; H743-W750 AromaticContact NE2-CH2 3.53Å; H743-W750 WeakPolarHBondContact O-CZ2 3.32Å; E745-W750 HydrophobicContact CB-CD2 4.27Å; E745-W750 HydrophobicContact CB-CE3 3.82Å; E745-W750 HydrophobicContact CB-CZ3 4.2Å; E745-W750 HydrophobicContact CG-CE3 3.83Å; E745-W750 HydrophobicContact CG-CH2 4.22Å; E745-W750 HydrophobicContact CG-CZ3 3.66Å; D747-W750 WeakPolarHBondContact O-CB 3.47Å; D747-W750 PolarHBondContact O-N 3.43Å; D747-W750 VanDerWaalsContact O-N 3.16Å; W750-L752 VanDerWaalsContact C-N 3.29Å; W750-L752 PolarHBondContact O-N 2.63Å |
| 751 | D | 66 | Low | 74.7 | Confident | 80 Ų | 80 | 57.2 Ų | 57.2 | 43% | 0.428 | 30% | 0.296 | S | S | . | . | trans | -81.9 | 77.6 | -179.9 | -170.7 | 3.1 | 0 | 0 | 0 | 111.7 | N749 L753 S754 | N749-D751 PolarHBondContact O-N 3.36Å; D751-L753 PolarHBondContact O-N 3.05Å; D751-L753 WeakPolarHBondContact OD1-CA 3.33Å; D751-L753 VanDerWaalsContact OD1-CB 3.31Å; D751-L753 WeakPolarHBondContact OD1-CB 3.34Å; D751-L753 PolarHBondContact OD1-N 3.5Å; D751-S754 PolarHBondContact O-N 3.4Å; D751-S754 PolarHBondContact O-OG 3.4Å; D751-S754 PolarHBondContact OD1-N 3.29Å | ||
| 752 | L | 66.8 | Low | 74.7 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.037 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.3 | -25.8 | 171.4 | 179.4 | 56.5 | 0 | 0 | 0 | 112.8 | V651 V655 M744 W750 L756 A786 V787 | V651-L752 HydrophobicContact CG1-CD2 3.65Å; V655-L752 HydrophobicContact CG2-CB 4.1Å; V655-L752 HydrophobicContact CG2-CD2 3.8Å; V655-L752 HydrophobicContact CG2-CG 3.87Å; M744-L752 HydrophobicContact CE-CD1 3.38Å; M744-L752 HydrophobicContact SD-CD1 3.45Å; M744-L752 WeakPolarHBondContact SD-CD1 3.27Å; W750-L752 VanDerWaalsContact C-N 3.29Å; W750-L752 PolarHBondContact O-N 2.63Å; L752-L756 HydrophobicContact CD1-CG 4.16Å; L752-L756 HydrophobicContact CG-CD1 4.01Å; L752-L756 HydrophobicContact CG-CG 4.12Å; L752-L756 WeakPolarHBondContact O-CB 3.34Å; L752-L756 VanDerWaalsContact O-CG 3.24Å; L752-L756 WeakPolarHBondContact O-CG 3.3Å; L752-L756 PolarHBondContact O-N 3.17Å; L752-A786 HydrophobicContact CD2-CB 4.1Å; L752-V787 HydrophobicContact CD1-CG2 4.34Å |
| 753 | L | 65.6 | Low | 74.9 | Confident | 61 Ų | 61 | 54 Ų | 54 | 32% | 0.319 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72.6 | -36.3 | -177.7 | -164.7 | 74.6 | 0 | 0 | 0 | 111.8 | Q658 D751 S755 L756 | Q658-L753 HydrophobicContact CB-CD2 4.21Å; Q658-L753 HydrophobicContact CG-CD2 3.86Å; D751-L753 PolarHBondContact O-N 3.05Å; D751-L753 WeakPolarHBondContact OD1-CA 3.33Å; D751-L753 VanDerWaalsContact OD1-CB 3.31Å; D751-L753 WeakPolarHBondContact OD1-CB 3.34Å; D751-L753 PolarHBondContact OD1-N 3.5Å; L753-S755 PolarHBondContact O-N 3.05Å; L753-L756 HydrophobicContact CD1-CD1 4.37Å; L753-L756 PolarHBondContact O-N 3.01Å |
| 754 | S | 73.9 | Confident | 75 | Confident | 71 Ų | 71 | 52.7 Ų | 52.7 | 50% | 0.497 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -55.6 | -49.7 | 173.4 | 71.4 | 0 | 0 | 0 | 0 | 111.8 | D751 | D751-S754 PolarHBondContact O-N 3.4Å; D751-S754 PolarHBondContact O-OG 3.4Å; D751-S754 PolarHBondContact OD1-N 3.29Å |
| 755 | S | 80 | Confident | 75.5 | Confident | 15 Ų | 15 | 54.8 Ų | 54.8 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -79.4 | -22.4 | -177 | -47.8 | 0 | 0 | 0 | 0 | 114 | L753 K757 E758 C759 | L753-S755 PolarHBondContact O-N 3.05Å; S755-K757 VanDerWaalsContact C-N 3.25Å; S755-K757 PolarHBondContact O-N 3.05Å; S755-E758 PolarHBondContact O-N 2.97Å; S755-E758 VanDerWaalsContact O-N 3.11Å; S755-C759 PolarHBondContact O-N 2.99Å; S755-C759 PolarHBondContact O-SG 3.35Å |
| 756 | L | 81.8 | Confident | 76.6 | Confident | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.4 | -34.5 | -176.9 | -98.1 | 169.4 | 0 | 0 | 0 | 112.7 | V655 L752 L753 E758 C759 L760 V787 A790 | V655-L756 HydrophobicContact CB-CD1 4.28Å; V655-L756 HydrophobicContact CG1-CD1 3.55Å; V655-L756 HydrophobicContact CG2-CD1 3.66Å; L752-L756 HydrophobicContact CD1-CG 4.16Å; L752-L756 HydrophobicContact CG-CD1 4.01Å; L752-L756 HydrophobicContact CG-CG 4.12Å; L752-L756 WeakPolarHBondContact O-CB 3.34Å; L752-L756 VanDerWaalsContact O-CG 3.24Å; L752-L756 WeakPolarHBondContact O-CG 3.3Å; L752-L756 PolarHBondContact O-N 3.17Å; L753-L756 HydrophobicContact CD1-CD1 4.37Å; L753-L756 PolarHBondContact O-N 3.01Å; L756-E758 VanDerWaalsContact C-N 3.31Å; L756-E758 PolarHBondContact O-N 2.97Å; L756-C759 PolarHBondContact O-N 3.4Å; L756-L760 HydrophobicContact CD2-CD1 4.39Å; L756-L760 HydrophobicContact CD2-CG 4.38Å; L756-L760 VanDerWaalsContact O-CB 3.28Å; L756-L760 WeakPolarHBondContact O-CB 3.42Å; L756-L760 WeakPolarHBondContact O-CD1 3.49Å; L756-L760 WeakPolarHBondContact O-CG 3.2Å; L756-L760 PolarHBondContact O-N 3.12Å; L756-V787 HydrophobicContact CD2-CB 4.41Å; L756-V787 HydrophobicContact CD2-CG1 4.46Å; L756-V787 HydrophobicContact CD2-CG2 4.04Å; L756-A790 HydrophobicContact CD1-CB 4.48Å; L756-A790 HydrophobicContact CD2-CB 3.79Å |
| 757 | K | 82.4 | Confident | 78 | Confident | 164 Ų | 164 | 48.7 Ų | 48.7 | 71% | 0.713 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.8 | -40.8 | 176.8 | -69 | -175.4 | 179.1 | -179.8 | 0 | 112.1 | S755 A761 | S755-K757 VanDerWaalsContact C-N 3.25Å; S755-K757 PolarHBondContact O-N 3.05Å; K757-A761 VanDerWaalsContact O-CB 3.28Å; K757-A761 WeakPolarHBondContact O-CB 3.37Å; K757-A761 PolarHBondContact O-N 3.44Å |
| 758 | E | 88.6 | Confident | 79.9 | Confident | 105 Ų | 105 | 52.9 Ų | 52.9 | 49% | 0.491 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -71.7 | -44.8 | 177.8 | -59.8 | -179.7 | 168.9 | 0 | 0 | 111.4 | S755 L756 L760 A761 Y762 | S755-E758 PolarHBondContact O-N 2.97Å; S755-E758 VanDerWaalsContact O-N 3.11Å; L756-E758 VanDerWaalsContact C-N 3.31Å; L756-E758 PolarHBondContact O-N 2.97Å; E758-L760 PolarHBondContact O-N 3.08Å; E758-A761 PolarHBondContact O-N 3.16Å; E758-Y762 WeakPolarHBondContact O-CB 3.49Å; E758-Y762 PolarHBondContact O-N 3.33Å |
| 759 | C | 91.2 | Very high | 82.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 175.1 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | L723 M744 S755 L756 Y762 I763 V787 | L723-C759 HydrophobicContact CD2-CB 3.96Å; M744-C759 WeakPolarHBondContact CE-SG 3.27Å; S755-C759 PolarHBondContact O-N 2.99Å; S755-C759 PolarHBondContact O-SG 3.35Å; L756-C759 PolarHBondContact O-N 3.4Å; C759-Y762 PolarHBondContact O-N 3.08Å; C759-I763 WeakPolarHBondContact O-CD1 3.24Å; C759-I763 VanDerWaalsContact O-CG1 3.28Å; C759-I763 WeakPolarHBondContact O-CG1 3.24Å; C759-I763 PolarHBondContact O-N 3.04Å; C759-I763 VanDerWaalsContact O-N 3.08Å; C759-V787 HydrophobicContact CB-CG1 3.79Å |
| 760 | L | 91 | Very high | 84 | Confident | 11 Ų | 11 | 51 Ų | 51 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.6 | -45.6 | -179.6 | -68.9 | 168.6 | 0 | 0 | 0 | 111.2 | L756 E758 Y762 I763 E764 A790 Y791 | L756-L760 HydrophobicContact CD2-CD1 4.39Å; L756-L760 HydrophobicContact CD2-CG 4.38Å; L756-L760 VanDerWaalsContact O-CB 3.28Å; L756-L760 WeakPolarHBondContact O-CB 3.42Å; L756-L760 WeakPolarHBondContact O-CD1 3.49Å; L756-L760 WeakPolarHBondContact O-CG 3.2Å; L756-L760 PolarHBondContact O-N 3.12Å; E758-L760 PolarHBondContact O-N 3.08Å; L760-Y762 VanDerWaalsContact C-N 3.3Å; L760-Y762 PolarHBondContact O-N 3.04Å; L760-I763 PolarHBondContact O-N 3.02Å; L760-E764 WeakPolarHBondContact O-CB 3.45Å; L760-E764 WeakPolarHBondContact O-CG 3.3Å; L760-E764 PolarHBondContact O-N 3.15Å; L760-A790 HydrophobicContact CD2-CB 4.36Å; L760-Y791 VanDerWaalsContact CD2-CA 3.43Å; L760-Y791 HydrophobicContact CD2-CD2 4.38Å |
| 761 | A | 90.5 | Very high | 85.4 | Confident | 50 Ų | 50 | 48.4 Ų | 48.4 | 41% | 0.413 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60 | -38.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K757 E758 S765 | K757-A761 VanDerWaalsContact O-CB 3.28Å; K757-A761 WeakPolarHBondContact O-CB 3.37Å; K757-A761 PolarHBondContact O-N 3.44Å; E758-A761 PolarHBondContact O-N 3.16Å; A761-S765 WeakPolarHBondContact O-CB 3.46Å; A761-S765 PolarHBondContact O-N 3.02Å; A761-S765 PolarHBondContact O-OG 2.96Å |
| 762 | Y | 94 | Very high | 86.7 | Confident | 21 Ų | 21 | 45.1 Ų | 45.1 | 8% | 0.082 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -71.4 | -34 | 177.6 | -176.8 | -102.2 | 0 | 0 | 0 | 113.4 | R721 L723 R738 Y740 E758 C759 L760 S765 S766 I773 | R721-Y762 WeakPolarHBondContact CD-OH 3.48Å; L723-Y762 HydrophobicContact CB-CD1 4.04Å; L723-Y762 HydrophobicContact CB-CE1 4.14Å; L723-Y762 HydrophobicContact CD1-CD1 4.35Å; R738-Y762 PolarHBondContact O-OH 2.85Å; Y740-Y762 VanDerWaalsContact CB-CZ 3.45Å; Y740-Y762 HydrophobicContact CD1-CD1 4.04Å; Y740-Y762 HydrophobicContact CD1-CD2 4.15Å; Y740-Y762 AromaticContact CD1-CG 3.81Å; Y740-Y762 HydrophobicContact CD1-CG 3.81Å; Y740-Y762 HydrophobicContact CD2-CD2 4.45Å; Y740-Y762 HydrophobicContact CE1-CG 4.44Å; Y740-Y762 HydrophobicContact CG-CD1 4.28Å; Y740-Y762 AromaticContact CG-CD2 3.97Å; Y740-Y762 HydrophobicContact CG-CD2 3.97Å; Y740-Y762 HydrophobicContact CG-CE1 4.39Å; Y740-Y762 HydrophobicContact CG-CE2 4.1Å; Y740-Y762 HydrophobicContact CG-CG 4.07Å; E758-Y762 WeakPolarHBondContact O-CB 3.49Å; E758-Y762 PolarHBondContact O-N 3.33Å; C759-Y762 PolarHBondContact O-N 3.08Å; L760-Y762 VanDerWaalsContact C-N 3.3Å; L760-Y762 PolarHBondContact O-N 3.04Å; Y762-S765 PolarHBondContact O-OG 3.27Å; Y762-S766 VanDerWaalsContact O-CB 3.31Å; Y762-S766 WeakPolarHBondContact O-CB 3.35Å; Y762-S766 PolarHBondContact O-N 2.9Å; Y762-S766 PolarHBondContact O-OG 2.87Å; Y762-I773 HydrophobicContact CD1-CD1 3.58Å; Y762-I773 HydrophobicContact CE1-CD1 3.51Å; Y762-I773 HydrophobicContact CE1-CG1 4.45Å |
| 763 | I | 93.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.5 | -50.2 | 171 | -62.5 | 160.3 | 0 | 0 | 0 | 109.6 | V700 L723 C759 L760 S765 S766 V767 I773 V775 V787 Y791 | V700-I763 HydrophobicContact CG1-CG2 4.35Å; V700-I763 HydrophobicContact CG2-CG2 3.73Å; L723-I763 HydrophobicContact CD2-CD1 3.85Å; L723-I763 HydrophobicContact CD2-CG1 3.84Å; C759-I763 WeakPolarHBondContact O-CD1 3.24Å; C759-I763 VanDerWaalsContact O-CG1 3.28Å; C759-I763 WeakPolarHBondContact O-CG1 3.24Å; C759-I763 PolarHBondContact O-N 3.04Å; C759-I763 VanDerWaalsContact O-N 3.08Å; L760-I763 PolarHBondContact O-N 3.02Å; I763-S765 PolarHBondContact O-N 2.85Å; I763-S766 WeakPolarHBondContact O-CB 3.4Å; I763-S766 PolarHBondContact O-N 3.31Å; I763-V767 HydrophobicContact CG2-CG2 4.32Å; I763-V767 WeakPolarHBondContact O-CG2 3.41Å; I763-V767 PolarHBondContact O-N 2.79Å; I763-I773 HydrophobicContact CB-CD1 4.45Å; I763-I773 HydrophobicContact CG1-CD1 3.97Å; I763-I773 HydrophobicContact CG2-CG2 4.29Å; I763-V775 HydrophobicContact CD1-CG2 3.95Å; I763-V775 HydrophobicContact CG1-CG2 4.12Å; I763-V787 HydrophobicContact CD1-CG1 3.84Å; I763-Y791 HydrophobicContact CB-CD2 4.16Å; I763-Y791 HydrophobicContact CB-CE2 4.29Å; I763-Y791 HydrophobicContact CG2-CD1 4.22Å; I763-Y791 HydrophobicContact CG2-CD2 3.58Å; I763-Y791 HydrophobicContact CG2-CE1 4.09Å; I763-Y791 HydrophobicContact CG2-CE2 3.43Å; I763-Y791 VanDerWaalsContact CG2-CE2 3.43Å; I763-Y791 HydrophobicContact CG2-CG 3.98Å |
| 764 | E | 92.4 | Very high | 89.5 | Confident | 47 Ų | 47 | 41.9 Ų | 41.9 | 22% | 0.22 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.6 | -47.1 | -179.8 | -73.2 | 175.1 | 161.9 | 0 | 0 | 112.3 | L760 S766 V767 I768 Y791 R794 | L760-E764 WeakPolarHBondContact O-CB 3.45Å; L760-E764 WeakPolarHBondContact O-CG 3.3Å; L760-E764 PolarHBondContact O-N 3.15Å; E764-S766 VanDerWaalsContact C-N 3.31Å; E764-S766 PolarHBondContact O-N 3.08Å; E764-V767 PolarHBondContact O-N 2.66Å; E764-I768 WeakPolarHBondContact O-CB 3.46Å; E764-I768 WeakPolarHBondContact O-CD1 3.33Å; E764-I768 WeakPolarHBondContact O-CG1 3.24Å; E764-I768 PolarHBondContact O-N 3.13Å; E764-Y791 HydrophobicContact CG-CD2 4.5Å; E764-Y791 HydrophobicContact CG-CE2 4.08Å; E764-R794 IonicContact OE1-CZ 2.66Å; E764-R794 IonicContact OE1-NE 3.17Å; E764-R794 PolarHBondContact OE1-NE 3.12Å; E764-R794 IonicContact OE1-NH2 3.37Å; E764-R794 PolarHBondContact OE1-NH2 3.4Å; E764-R794 IonicContact OE2-CZ 2.87Å; E764-R794 IonicContact OE2-NE 3.16Å; E764-R794 IonicContact OE2-NH2 2.68Å; E764-R794 PolarHBondContact OE2-NH2 2.89Å |
| 765 | S | 92.5 | Very high | 90.5 | Very high | 46 Ų | 46 | 38.5 Ų | 38.5 | 32% | 0.322 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62 | -40.1 | 177 | 71.8 | 0 | 0 | 0 | 0 | 111.7 | A761 Y762 I763 I768 E769 | A761-S765 WeakPolarHBondContact O-CB 3.46Å; A761-S765 PolarHBondContact O-N 3.02Å; A761-S765 PolarHBondContact O-OG 2.96Å; Y762-S765 PolarHBondContact O-OG 3.27Å; I763-S765 PolarHBondContact O-N 2.85Å; S765-I768 PolarHBondContact O-N 3.48Å; S765-E769 WeakPolarHBondContact O-CB 3.36Å; S765-E769 WeakPolarHBondContact O-CG 3.19Å; S765-E769 PolarHBondContact O-N 3.36Å |
| 766 | S | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.1 | -48.3 | 176.9 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | R721 Y762 I763 E764 I768 E769 G770 N771 | R721-S766 WeakPolarHBondContact CD-OG 3.5Å; R721-S766 WeakPolarHBondContact CG-OG 3.15Å; Y762-S766 VanDerWaalsContact O-CB 3.31Å; Y762-S766 WeakPolarHBondContact O-CB 3.35Å; Y762-S766 PolarHBondContact O-N 2.9Å; Y762-S766 PolarHBondContact O-OG 2.87Å; I763-S766 WeakPolarHBondContact O-CB 3.4Å; I763-S766 PolarHBondContact O-N 3.31Å; E764-S766 VanDerWaalsContact C-N 3.31Å; E764-S766 PolarHBondContact O-N 3.08Å; S766-I768 PolarHBondContact O-N 2.89Å; S766-E769 PolarHBondContact O-N 2.79Å; S766-G770 PolarHBondContact O-N 2.81Å; S766-N771 CarbonylContact C-O 3.46Å; S766-N771 WeakPolarHBondContact O-CA 3.37Å; S766-N771 WeakPolarHBondContact O-CB 3.49Å; S766-N771 PolarHBondContact O-N 2.94Å |
| 767 | V | 90.9 | Very high | 91.4 | Very high | 29 Ų | 29 | 37.8 Ų | 37.8 | 18% | 0.176 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67 | -36.7 | 180 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | Y699 V700 I763 E764 G770 I773 | Y699-V767 HydrophobicContact CD2-CG1 4.37Å; V700-V767 HydrophobicContact CG2-CG2 3.57Å; I763-V767 HydrophobicContact CG2-CG2 4.32Å; I763-V767 WeakPolarHBondContact O-CG2 3.41Å; I763-V767 PolarHBondContact O-N 2.79Å; E764-V767 PolarHBondContact O-N 2.66Å; V767-G770 PolarHBondContact O-N 3.26Å; V767-G770 VanDerWaalsContact O-N 3.11Å; V767-I773 HydrophobicContact CG2-CG2 4.39Å |
| 768 | I | 89.9 | Confident | 91.3 | Very high | 147 Ų | 147 | 36.6 Ų | 36.6 | 75% | 0.754 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -67.6 | -36.4 | 175.1 | -69.2 | 165.1 | 0 | 0 | 0 | 111.7 | E764 S765 S766 G770 | E764-I768 WeakPolarHBondContact O-CB 3.46Å; E764-I768 WeakPolarHBondContact O-CD1 3.33Å; E764-I768 WeakPolarHBondContact O-CG1 3.24Å; E764-I768 PolarHBondContact O-N 3.13Å; S765-I768 PolarHBondContact O-N 3.48Å; S766-I768 PolarHBondContact O-N 2.89Å; I768-G770 PolarHBondContact O-N 3.13Å |
| 769 | E | 90 | Very high | 90.6 | Very high | 93 Ų | 93 | 36.3 Ų | 36.3 | 44% | 0.435 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -1.8 | 171.9 | -68.6 | 169.3 | -179.7 | 0 | 0 | 113.3 | R721 S765 S766 N771 | R721-E769 IonicContact CZ-OE2 3.19Å; R721-E769 IonicContact NE-OE2 3.96Å; R721-E769 PolarHBondContact NE-OE2 3.5Å; R721-E769 IonicContact NH2-OE2 3.51Å; R721-E769 PolarHBondContact NH2-OE2 3.11Å; S765-E769 WeakPolarHBondContact O-CB 3.36Å; S765-E769 WeakPolarHBondContact O-CG 3.19Å; S765-E769 PolarHBondContact O-N 3.36Å; S766-E769 PolarHBondContact O-N 2.79Å; E769-N771 VanDerWaalsContact C-N 3.3Å; E769-N771 HydrophobicContact CB-CB 4.35Å; E769-N771 WeakPolarHBondContact CB-ND2 3.42Å; E769-N771 PolarHBondContact OE2-ND2 3.23Å |
| 770 | G | 88.7 | Confident | 90 | Very high | 37 Ų | 37 | 36.3 Ų | 36.3 | 38% | 0.381 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 18.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y699 S766 V767 I768 | Y699-G770 WeakPolarHBondContact CE1-O 3.26Å; S766-G770 PolarHBondContact O-N 2.81Å; V767-G770 PolarHBondContact O-N 3.26Å; V767-G770 VanDerWaalsContact O-N 3.11Å; I768-G770 PolarHBondContact O-N 3.13Å |
| 771 | N | 92 | Very high | 89.3 | Confident | 28 Ų | 28 | 38 Ų | 38 | 15% | 0.15 | 21% | 0.21 | C | C | . | . | trans | -100.8 | 123.5 | -170.5 | -75.1 | -42.2 | 0 | 0 | 0 | 112.2 | N720 R721 S766 E769 I773 | N720-N771 PolarHBondContact ND2-OD1 2.74Å; N720-N771 VanDerWaalsContact OD1-CB 3.22Å; N720-N771 WeakPolarHBondContact OD1-CB 3.42Å; N720-N771 PolarHBondContact OD1-OD1 3.05Å; R721-N771 HydrophobicContact CG-CB 3.71Å; R721-N771 PolarHBondContact NH2-ND2 2.84Å; S766-N771 CarbonylContact C-O 3.46Å; S766-N771 WeakPolarHBondContact O-CA 3.37Å; S766-N771 WeakPolarHBondContact O-CB 3.49Å; S766-N771 PolarHBondContact O-N 2.94Å; E769-N771 VanDerWaalsContact C-N 3.3Å; E769-N771 HydrophobicContact CB-CB 4.35Å; E769-N771 WeakPolarHBondContact CB-ND2 3.42Å; E769-N771 PolarHBondContact OE2-ND2 3.23Å; N771-I773 PolarHBondContact O-N 3.17Å | ||
| 772 | A | 93.2 | Very high | 88.5 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 128.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y699 Y701 I719 N720 R721 | Y699-A772 HydrophobicContact CD1-CB 4.32Å; Y699-A772 CarbonylContact O-C 3.39Å; Y699-A772 WeakPolarHBondContact O-CA 3.35Å; Y701-A772 HydrophobicContact CE2-CB 4.01Å; I719-A772 HydrophobicContact CG1-CB 4.28Å; N720-A772 PolarHBondContact N-O 2.83Å; N720-A772 VanDerWaalsContact N-O 3.13Å; N720-A772 PolarHBondContact OD1-N 3.49Å; N720-A772 PolarHBondContact OD1-O 3.18Å; R721-A772 PolarHBondContact N-O 3.35Å; R721-A772 VanDerWaalsContact N-O 3.13Å |
| 773 | I | 95.3 | Very high | 88 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.3 | -172.5 | -175.4 | 170.9 | 0 | 0 | 0 | 113.1 | Y699 V700 Y701 R721 L723 Y762 I763 V767 N771 | Y699-I773 WeakPolarHBondContact O-CG2 3.36Å; Y699-I773 PolarHBondContact O-N 2.76Å; V700-I773 HydrophobicContact CB-CG2 4.34Å; V700-I773 HydrophobicContact CG1-CG2 4.33Å; V700-I773 HydrophobicContact CG2-CG2 3.89Å; Y701-I773 PolarHBondContact N-O 3.44Å; R721-I773 HydrophobicContact CB-CB 3.74Å; R721-I773 HydrophobicContact CB-CD1 4.29Å; R721-I773 HydrophobicContact CB-CG1 3.85Å; R721-I773 VanDerWaalsContact O-CA 3.31Å; R721-I773 WeakPolarHBondContact O-CA 3.26Å; L723-I773 HydrophobicContact CB-CD1 4.07Å; Y762-I773 HydrophobicContact CD1-CD1 3.58Å; Y762-I773 HydrophobicContact CE1-CD1 3.51Å; Y762-I773 HydrophobicContact CE1-CG1 4.45Å; I763-I773 HydrophobicContact CB-CD1 4.45Å; I763-I773 HydrophobicContact CG1-CD1 3.97Å; I763-I773 HydrophobicContact CG2-CG2 4.29Å; V767-I773 HydrophobicContact CG2-CG2 4.39Å; N771-I773 PolarHBondContact O-N 3.17Å |
| 774 | L | 95.5 | Very high | 87.8 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 124.1 | 166.4 | 171.9 | 59.6 | 0 | 0 | 0 | 110.9 | M693 Y701 T707 A708 L714 I719 R721 V722 L723 H776 | M693-L774 HydrophobicContact SD-CD1 3.88Å; M693-L774 HydrophobicContact SD-CD2 4.34Å; Y701-L774 WeakPolarHBondContact O-CA 3.49Å; T707-L774 HydrophobicContact CG2-CD2 4.21Å; A708-L774 HydrophobicContact CB-CD2 3.84Å; L714-L774 HydrophobicContact CD2-CB 4.42Å; L714-L774 HydrophobicContact CD2-CD2 3.56Å; I719-L774 HydrophobicContact CD1-CB 4.2Å; I719-L774 HydrophobicContact CG2-CB 3.88Å; R721-L774 PolarHBondContact O-N 3.02Å; V722-L774 CarbonylContact C-O 3.44Å; V722-L774 WeakPolarHBondContact CA-O 3.46Å; V722-L774 HydrophobicContact CG2-CB 4.47Å; L723-L774 PolarHBondContact N-O 3.4Å; L774-H776 HydrophobicContact CD1-CB 4.33Å; L774-H776 HydrophobicContact CD2-CB 4.47Å; L774-H776 HydrophobicContact CG-CB 4.23Å |
| 775 | V | 94.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 120.5 | 166.4 | -168.4 | 0 | 0 | 0 | 0 | 109.2 | V700 Y701 L702 S703 L723 V725 I763 V787 | V700-V775 HydrophobicContact CG1-CG2 4.12Å; Y701-V775 PolarHBondContact O-N 2.71Å; L702-V775 WeakPolarHBondContact CA-O 3.38Å; S703-V775 PolarHBondContact N-O 3.04Å; L723-V775 HydrophobicContact CB-CG2 4.41Å; L723-V775 HydrophobicContact CD2-CG1 3.94Å; L723-V775 HydrophobicContact CD2-CG2 4.22Å; L723-V775 HydrophobicContact CG-CG1 4.2Å; V725-V775 HydrophobicContact CG2-CG1 4.15Å; I763-V775 HydrophobicContact CD1-CG2 3.95Å; I763-V775 HydrophobicContact CG1-CG2 4.12Å; V775-V787 HydrophobicContact CG1-CB 4.39Å; V775-V787 HydrophobicContact CG1-CG1 4.18Å |
| 776 | H | 93.1 | Very high | 87.2 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 154.1 | -177.7 | 82 | 99.1 | 0 | 0 | 0 | 114.6 | S703 A708 V722 L723 T724 V725 V730 L774 | S703-H776 WeakPolarHBondContact O-CB 3.38Å; A708-H776 HydrophobicContact CB-CB 4.29Å; A708-H776 VanDerWaalsContact CB-CD2 3.43Å; A708-H776 WeakPolarHBondContact CB-CD2 3.3Å; A708-H776 VanDerWaalsContact CB-CG 3.44Å; A708-H776 WeakPolarHBondContact CB-ND1 3.32Å; V722-H776 WeakPolarHBondContact CG1-NE2 3.4Å; L723-H776 PolarHBondContact O-CD2 3.27Å; L723-H776 PolarHBondContact O-N 3.42Å; T724-H776 WeakPolarHBondContact CA-NE2 3.29Å; T724-H776 WeakPolarHBondContact CB-NE2 3.02Å; T724-H776 WeakPolarHBondContact CG2-CE1 3.47Å; T724-H776 WeakPolarHBondContact CG2-NE2 3Å; T724-H776 PolarHBondContact OG1-NE2 2.94Å; V725-H776 WeakPolarHBondContact CG2-O 3.32Å; V725-H776 PolarHBondContact N-O 2.91Å; V730-H776 WeakPolarHBondContact CG2-NE2 3.29Å; L774-H776 HydrophobicContact CD1-CB 4.33Å; L774-H776 HydrophobicContact CD2-CB 4.47Å; L774-H776 HydrophobicContact CG-CB 4.23Å |
| 777 | C | 87.1 | Confident | 87.1 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | trans | -140.3 | 172.5 | 163.1 | 74.1 | 0 | 0 | 0 | 0 | 108.5 | N704 A705 V725 L779 G780 R783 S784 | N704-C777 WeakPolarHBondContact CA-O 3.26Å; A705-C777 PolarHBondContact N-O 3.47Å; V725-C777 HydrophobicContact CG2-CB 4.41Å; V725-C777 WeakPolarHBondContact O-CB 3.48Å; C777-L779 VanDerWaalsContact C-N 3.3Å; C777-L779 PolarHBondContact O-N 3.4Å; C777-G780 PolarHBondContact O-N 3.46Å; C777-R783 HydrophobicContact CB-CB 3.97Å; C777-S784 PolarHBondContact N-OG 3.38Å | ||
| 778 | F | 79.7 | Confident | 87.1 | Confident | 139 Ų | 139 | 30.1 Ų | 30.1 | 61% | 0.61 | 16% | 0.16 | S | C | * | . | S | Bend | trans | -34.5 | -53 | -169.8 | -168.9 | -119.9 | 0 | 0 | 0 | 115.9 | A705 D726 | A705-F778 HydrophobicContact CB-CD2 4.41Å; A705-F778 PolarHBondContact N-O 3.47Å; D726-F778 VanDerWaalsContact OD2-CA 3.28Å; D726-F778 WeakPolarHBondContact OD2-CA 3.48Å; D726-F778 WeakPolarHBondContact OD2-CB 3.43Å; D726-F778 PolarHBondContact OD2-N 2.93Å |
| 779 | L | 73.8 | Confident | 86.9 | Confident | 100 Ų | 100 | 23.2 Ų | 23.2 | 52% | 0.524 | 13% | 0.125 | S | C | . | . | S | Bend | trans | -108.3 | -13.2 | 176.4 | -58.8 | 177.2 | 0 | 0 | 0 | 114.4 | C777 I781 R811 | C777-L779 VanDerWaalsContact C-N 3.3Å; C777-L779 PolarHBondContact O-N 3.4Å; L779-I781 HydrophobicContact CB-CB 4.36Å; L779-I781 HydrophobicContact CB-CD1 3.84Å; L779-I781 HydrophobicContact CB-CG1 3.97Å; L779-I781 HydrophobicContact CD1-CD1 4.21Å; L779-R811 PolarHBondContact O-NH2 2.95Å |
| 780 | G | 79.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | 63.4 | 42.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S703 C777 R811 | S703-G780 WeakPolarHBondContact O-CA 3.16Å; C777-G780 PolarHBondContact O-N 3.46Å; G780-R811 PolarHBondContact O-NE 2.86Å |
| 781 | I | 76.1 | Confident | 86.9 | Confident | 47 Ų | 47 | 17.4 Ų | 17.4 | 24% | 0.241 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -123.5 | -32.4 | -175.9 | -65.1 | 175.6 | 0 | 0 | 0 | 113.2 | L779 I813 W815 | L779-I781 HydrophobicContact CB-CB 4.36Å; L779-I781 HydrophobicContact CB-CD1 3.84Å; L779-I781 HydrophobicContact CB-CG1 3.97Å; L779-I781 HydrophobicContact CD1-CD1 4.21Å; I781-I813 HydrophobicContact CD1-CD1 4.3Å; I781-I813 HydrophobicContact CG1-CD1 4.02Å; I781-I813 HydrophobicContact CG1-CG1 4.28Å; I781-W815 HydrophobicContact CG2-CB 4.04Å |
| 782 | S | 74.9 | Confident | 86.7 | Confident | 11 Ų | 11 | 16.2 Ų | 16.2 | 8% | 0.077 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -111.7 | -80 | -173 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | W652 D746 P785 A786 | W652-S782 PolarHBondContact NE1-O 3.47Å; D746-S782 PolarHBondContact OD1-OG 3.13Å; S782-P785 WeakPolarHBondContact O-CD 3.19Å; S782-A786 PolarHBondContact O-N 2.92Å |
| 783 | R | 83.5 | Confident | 86.2 | Confident | 10 Ų | 10 | 16.5 Ų | 16.5 | 4% | 0.038 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.1 | -56.5 | -174 | -73.8 | 162.5 | -78.5 | 152.7 | 8.7 | 114.8 | D726 M744 D746 C777 A786 V787 | D726-R783 IonicContact OD1-CZ 2.69Å; D726-R783 IonicContact OD1-NH1 3.58Å; D726-R783 PolarHBondContact OD1-NH1 2.79Å; D726-R783 IonicContact OD1-NH2 2.68Å; D726-R783 PolarHBondContact OD1-NH2 2.88Å; M744-R783 PolarHBondContact O-NH1 3.44Å; D746-R783 IonicContact OD1-NE 2.78Å; D746-R783 IonicContact OD2-CZ 3.83Å; D746-R783 IonicContact OD2-NE 2.72Å; D746-R783 PolarHBondContact OD2-NE 3.46Å; D746-R783 IonicContact OD2-NH2 3.36Å; D746-R783 PolarHBondContact OD2-NH2 3.18Å; C777-R783 HydrophobicContact CB-CB 3.97Å; R783-A786 WeakPolarHBondContact O-CB 3.17Å; R783-A786 PolarHBondContact O-N 2.94Å; R783-V787 PolarHBondContact O-N 2.88Å |
| 784 | S | 89.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.9 | -37.7 | 179.9 | 51.5 | 0 | 0 | 0 | 0 | 114.2 | C777 A786 V787 A788 | C777-S784 PolarHBondContact N-OG 3.38Å; S784-A786 VanDerWaalsContact C-N 3.33Å; S784-A786 PolarHBondContact O-N 3.47Å; S784-V787 PolarHBondContact O-N 3.01Å; S784-A788 WeakPolarHBondContact O-CB 3.35Å; S784-A788 PolarHBondContact O-N 3.47Å |
| 785 | P | 87.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.7 | -30 | 173.5 | -27.1 | 38.7 | 0 | 0 | 0 | 114.4 | W652 L702 S782 T789 V807 V814 | W652-P785 HydrophobicContact CZ2-CB 4.06Å; L702-P785 HydrophobicContact CD1-CB 4.37Å; L702-P785 HydrophobicContact CD1-CG 4.08Å; L702-P785 HydrophobicContact CD2-CG 4.06Å; S782-P785 WeakPolarHBondContact O-CD 3.19Å; P785-T789 VanDerWaalsContact O-CB 3.28Å; P785-T789 WeakPolarHBondContact O-CB 3.46Å; P785-T789 PolarHBondContact O-N 3.23Å; P785-T789 PolarHBondContact O-OG1 3.4Å; P785-V807 HydrophobicContact CB-CG1 4.1Å; P785-V814 HydrophobicContact CB-CB 4.29Å; P785-V814 HydrophobicContact CB-CG1 3.59Å; P785-V814 HydrophobicContact CB-CG2 3.65Å; P785-V814 HydrophobicContact CG-CB 4.47Å; P785-V814 HydrophobicContact CG-CG1 4.19Å; P785-V814 HydrophobicContact CG-CG2 3.54Å |
| 786 | A | 84.1 | Confident | 84.9 | Confident | 5 Ų | 5 | 31 Ų | 31 | 4% | 0.041 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.7 | -43.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | W652 L752 S782 R783 S784 T789 A790 | W652-A786 HydrophobicContact CD2-CB 4.36Å; W652-A786 HydrophobicContact CH2-CB 4.29Å; W652-A786 HydrophobicContact CZ2-CB 3.8Å; L752-A786 HydrophobicContact CD2-CB 4.1Å; S782-A786 PolarHBondContact O-N 2.92Å; R783-A786 WeakPolarHBondContact O-CB 3.17Å; R783-A786 PolarHBondContact O-N 2.94Å; S784-A786 VanDerWaalsContact C-N 3.33Å; S784-A786 PolarHBondContact O-N 3.47Å; A786-T789 PolarHBondContact O-N 3.32Å; A786-A790 WeakPolarHBondContact O-CB 3.17Å; A786-A790 PolarHBondContact O-N 3.05Å |
| 787 | V | 89.9 | Confident | 84.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 175.8 | 175.2 | 0 | 0 | 0 | 0 | 111.7 | L723 V725 M744 L752 L756 C759 I763 V775 R783 S784 A790 Y791 | L723-V787 HydrophobicContact CD2-CG1 4.15Å; V725-V787 HydrophobicContact CG1-CG2 4.33Å; M744-V787 HydrophobicContact CE-CG2 4.35Å; L752-V787 HydrophobicContact CD1-CG2 4.34Å; L756-V787 HydrophobicContact CD2-CB 4.41Å; L756-V787 HydrophobicContact CD2-CG1 4.46Å; L756-V787 HydrophobicContact CD2-CG2 4.04Å; C759-V787 HydrophobicContact CB-CG1 3.79Å; I763-V787 HydrophobicContact CD1-CG1 3.84Å; V775-V787 HydrophobicContact CG1-CB 4.39Å; V775-V787 HydrophobicContact CG1-CG1 4.18Å; R783-V787 PolarHBondContact O-N 2.88Å; S784-V787 PolarHBondContact O-N 3.01Å; V787-A790 PolarHBondContact O-N 3.39Å; V787-Y791 PolarHBondContact O-N 3.37Å |
| 788 | A | 90.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.5 | -33 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | I696 L702 S784 Y791 L792 V807 | I696-A788 HydrophobicContact CG2-CB 4.33Å; L702-A788 HydrophobicContact CD1-CB 3.61Å; S784-A788 WeakPolarHBondContact O-CB 3.35Å; S784-A788 PolarHBondContact O-N 3.47Å; A788-Y791 PolarHBondContact O-N 3.44Å; A788-L792 PolarHBondContact O-N 2.87Å; A788-V807 HydrophobicContact CB-CG2 4.43Å |
| 789 | T | 87 | Confident | 82.9 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.018 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.3 | -47.8 | 172 | -60 | 0 | 0 | 0 | 0 | 110.5 | W652 P785 A786 Y791 L792 M793 A803 L804 | W652-T789 HydrophobicContact CH2-CG2 4.38Å; W652-T789 WeakPolarHBondContact CH2-OG1 3.25Å; W652-T789 HydrophobicContact CZ3-CG2 4.25Å; P785-T789 VanDerWaalsContact O-CB 3.28Å; P785-T789 WeakPolarHBondContact O-CB 3.46Å; P785-T789 PolarHBondContact O-N 3.23Å; P785-T789 PolarHBondContact O-OG1 3.4Å; A786-T789 PolarHBondContact O-N 3.32Å; T789-Y791 PolarHBondContact O-N 2.92Å; T789-L792 PolarHBondContact O-N 2.66Å; T789-M793 HydrophobicContact CG2-CG 4.47Å; T789-M793 HydrophobicContact CG2-SD 4.23Å; T789-M793 VanDerWaalsContact O-CG 3.28Å; T789-M793 WeakPolarHBondContact O-CG 3.43Å; T789-M793 PolarHBondContact O-N 2.87Å; T789-A803 HydrophobicContact CG2-CB 3.74Å; T789-L804 HydrophobicContact CG2-CB 4.09Å |
| 790 | A | 86.3 | Confident | 82.4 | Confident | 3 Ų | 3 | 29.3 Ų | 29.3 | 3% | 0.025 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.9 | -33.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L659 L756 L760 A786 V787 R794 | L659-A790 HydrophobicContact CD1-CB 3.97Å; L756-A790 HydrophobicContact CD1-CB 4.48Å; L756-A790 HydrophobicContact CD2-CB 3.79Å; L760-A790 HydrophobicContact CD2-CB 4.36Å; A786-A790 WeakPolarHBondContact O-CB 3.17Å; A786-A790 PolarHBondContact O-N 3.05Å; V787-A790 PolarHBondContact O-N 3.39Å; A790-R794 WeakPolarHBondContact O-CB 3.11Å; A790-R794 PolarHBondContact O-N 3.38Å |
| 791 | Y | 90.9 | Very high | 81.7 | Confident | 5 Ų | 5 | 30.9 Ų | 30.9 | 2% | 0.02 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.9 | -48.9 | 173 | 173.9 | -107.7 | 0 | 0 | 0 | 112.2 | D697 V700 L760 I763 E764 V787 A788 T789 M793 R794 K795 | D697-Y791 HydrophobicContact CB-CE1 4.06Å; D697-Y791 WeakPolarHBondContact OD2-CE1 3.4Å; V700-Y791 HydrophobicContact CB-CE1 4.27Å; V700-Y791 HydrophobicContact CG2-CD1 4.35Å; V700-Y791 HydrophobicContact CG2-CE1 3.57Å; L760-Y791 VanDerWaalsContact CD2-CA 3.43Å; L760-Y791 HydrophobicContact CD2-CD2 4.38Å; I763-Y791 HydrophobicContact CB-CD2 4.16Å; I763-Y791 HydrophobicContact CB-CE2 4.29Å; I763-Y791 HydrophobicContact CG2-CD1 4.22Å; I763-Y791 HydrophobicContact CG2-CD2 3.58Å; I763-Y791 HydrophobicContact CG2-CE1 4.09Å; I763-Y791 HydrophobicContact CG2-CE2 3.43Å; I763-Y791 VanDerWaalsContact CG2-CE2 3.43Å; I763-Y791 HydrophobicContact CG2-CG 3.98Å; E764-Y791 HydrophobicContact CG-CD2 4.5Å; E764-Y791 HydrophobicContact CG-CE2 4.08Å; V787-Y791 PolarHBondContact O-N 3.37Å; A788-Y791 PolarHBondContact O-N 3.44Å; T789-Y791 PolarHBondContact O-N 2.92Å; Y791-M793 PolarHBondContact O-N 3.43Å; Y791-R794 PolarHBondContact O-N 3.23Å; Y791-K795 HydrophobicContact CE1-CD 4.15Å; Y791-K795 WeakPolarHBondContact O-CB 3.35Å; Y791-K795 PolarHBondContact O-N 3.1Å |
| 792 | L | 87.9 | Confident | 81.5 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.7 | -40 | 175.8 | -68.8 | -172 | 0 | 0 | 0 | 112.3 | I696 D697 A788 T789 R794 Y796 L798 A803 R806 V807 | I696-L792 HydrophobicContact CG2-CD1 3.81Å; I696-L792 HydrophobicContact CG2-CD2 4.27Å; I696-L792 HydrophobicContact CG2-CG 4.06Å; D697-L792 HydrophobicContact CB-CD2 4.13Å; D697-L792 WeakPolarHBondContact OD2-CD2 3.43Å; A788-L792 PolarHBondContact O-N 2.87Å; T789-L792 PolarHBondContact O-N 2.66Å; L792-R794 VanDerWaalsContact C-N 3.34Å; L792-R794 PolarHBondContact O-N 3.2Å; L792-Y796 HydrophobicContact CD2-CD2 3.87Å; L792-Y796 HydrophobicContact CD2-CE2 3.88Å; L792-Y796 WeakPolarHBondContact O-CB 3.41Å; L792-Y796 PolarHBondContact O-N 3.41Å; L792-L798 HydrophobicContact CB-CD1 4.24Å; L792-A803 HydrophobicContact CB-CB 4.05Å; L792-R806 HydrophobicContact CD1-CB 3.7Å; L792-V807 HydrophobicContact CD1-CG2 3.84Å |
| 793 | M | 83.6 | Confident | 81.6 | Confident | 16 Ų | 16 | 30 Ų | 30 | 8% | 0.079 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.4 | -48.2 | 173.3 | -69.7 | 172.7 | 67.5 | 0 | 0 | 111.2 | L659 T789 Y791 K797 L798 A800 A803 | L659-M793 HydrophobicContact CB-CE 3.58Å; L659-M793 HydrophobicContact CD1-CE 3.92Å; L659-M793 HydrophobicContact CD1-SD 3.95Å; L659-M793 HydrophobicContact CG-CE 4.39Å; T789-M793 HydrophobicContact CG2-CG 4.47Å; T789-M793 HydrophobicContact CG2-SD 4.23Å; T789-M793 VanDerWaalsContact O-CG 3.28Å; T789-M793 WeakPolarHBondContact O-CG 3.43Å; T789-M793 PolarHBondContact O-N 2.87Å; Y791-M793 PolarHBondContact O-N 3.43Å; M793-K797 WeakPolarHBondContact O-CA 3.15Å; M793-K797 PolarHBondContact O-N 3.25Å; M793-L798 PolarHBondContact O-N 2.87Å; M793-A800 HydrophobicContact CE-CB 3.58Å; M793-A800 HydrophobicContact SD-CB 3.67Å; M793-A803 HydrophobicContact CB-CB 4.42Å; M793-A803 HydrophobicContact CG-CB 3.41Å; M793-A803 VanDerWaalsContact CG-CB 3.41Å |
| 794 | R | 84.6 | Confident | 81.3 | Confident | 132 Ų | 132 | 29.7 Ų | 29.7 | 50% | 0.498 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -71.2 | -43.4 | -177.5 | 177.6 | 168.8 | 159.3 | 140.8 | -10.6 | 113.2 | E764 A790 Y791 L792 | E764-R794 IonicContact OE1-CZ 2.66Å; E764-R794 IonicContact OE1-NE 3.17Å; E764-R794 PolarHBondContact OE1-NE 3.12Å; E764-R794 IonicContact OE1-NH2 3.37Å; E764-R794 PolarHBondContact OE1-NH2 3.4Å; E764-R794 IonicContact OE2-CZ 2.87Å; E764-R794 IonicContact OE2-NE 3.16Å; E764-R794 IonicContact OE2-NH2 2.68Å; E764-R794 PolarHBondContact OE2-NH2 2.89Å; A790-R794 WeakPolarHBondContact O-CB 3.11Å; A790-R794 PolarHBondContact O-N 3.38Å; Y791-R794 PolarHBondContact O-N 3.23Å; L792-R794 VanDerWaalsContact C-N 3.34Å; L792-R794 PolarHBondContact O-N 3.2Å |
| 795 | K | 87.8 | Confident | 80.8 | Confident | 76 Ų | 76 | 35.3 Ų | 35.3 | 33% | 0.33 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -71.2 | -46.7 | -178.8 | -176.2 | -171.2 | 178.3 | -177.7 | 0 | 112.5 | D697 Y791 | D697-K795 IonicContact OD1-NZ 2.69Å; D697-K795 PolarHBondContact OD1-NZ 3.2Å; D697-K795 WeakPolarHBondContact OD2-CD 3.32Å; D697-K795 WeakPolarHBondContact OD2-CE 3.36Å; D697-K795 IonicContact OD2-NZ 3.46Å; D697-K795 PolarHBondContact OD2-NZ 2.97Å; Y791-K795 HydrophobicContact CE1-CD 4.15Å; Y791-K795 WeakPolarHBondContact O-CB 3.35Å; Y791-K795 PolarHBondContact O-N 3.1Å |
| 796 | Y | 86.3 | Confident | 80.7 | Confident | 96 Ų | 96 | 39.6 Ų | 39.6 | 38% | 0.376 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -103.3 | 3.5 | -171.8 | -71.2 | -69.8 | 0 | 0 | 0 | 114.1 | D697 L792 L798 | D697-Y796 PolarHBondContact OD1-OH 3.27Å; D697-Y796 WeakPolarHBondContact OD2-CE2 3.27Å; L792-Y796 HydrophobicContact CD2-CD2 3.87Å; L792-Y796 HydrophobicContact CD2-CE2 3.88Å; L792-Y796 WeakPolarHBondContact O-CB 3.41Å; L792-Y796 PolarHBondContact O-N 3.41Å; Y796-L798 VanDerWaalsContact C-N 3.31Å; Y796-L798 PolarHBondContact O-N 2.9Å |
| 797 | K | 78.8 | Confident | 80.7 | Confident | 133 Ų | 133 | 39.3 Ų | 39.3 | 58% | 0.578 | 17% | 0.167 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 51.7 | -174 | -61.5 | -174.9 | 179 | -176.3 | 0 | 112 | Y663 M793 | Y663-K797 HydrophobicContact CE2-CB 4.3Å; Y663-K797 WeakPolarHBondContact CE2-O 3.22Å; Y663-K797 PolarHBondContact OH-O 3.34Å; Y663-K797 VanDerWaalsContact OH-O 3.07Å; M793-K797 WeakPolarHBondContact O-CA 3.15Å; M793-K797 PolarHBondContact O-N 3.25Å |
| 798 | L | 75.3 | Confident | 80.3 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 9% | 0.094 | 18% | 0.182 | C | C | . | . | trans | -94.3 | 146.7 | -179.3 | -56.2 | 173.6 | 0 | 0 | 0 | 111.1 | L792 M793 Y796 E802 A803 | L792-L798 HydrophobicContact CB-CD1 4.24Å; M793-L798 PolarHBondContact O-N 2.87Å; Y796-L798 VanDerWaalsContact C-N 3.31Å; Y796-L798 PolarHBondContact O-N 2.9Å; L798-E802 HydrophobicContact CB-CB 4.39Å; L798-E802 HydrophobicContact CB-CG 4.27Å; L798-E802 HydrophobicContact CD1-CG 4.3Å; L798-E802 HydrophobicContact CD2-CG 3.96Å; L798-E802 HydrophobicContact CG-CG 4.39Å; L798-A803 HydrophobicContact CB-CB 4.07Å; L798-A803 HydrophobicContact CD1-CB 4.2Å | ||
| 799 | D | 64.2 | Low | 79.8 | Confident | 58 Ų | 58 | 49.6 Ų | 49.6 | 31% | 0.31 | 22% | 0.215 | S | C | . | . | trans | -57.2 | 149.4 | 160.7 | 84.4 | 73.4 | 0 | 0 | 0 | 110.1 | D801 E802 A803 R805 | D799-D801 PolarHBondContact O-N 2.87Å; D799-D801 VanDerWaalsContact OD1-CA 3.31Å; D799-D801 WeakPolarHBondContact OD1-CA 3.43Å; D799-D801 WeakPolarHBondContact OD1-CB 3.22Å; D799-D801 PolarHBondContact OD1-N 2.87Å; D799-E802 PolarHBondContact O-N 3.05Å; D799-E802 VanDerWaalsContact O-N 3.08Å; D799-E802 PolarHBondContact OD1-N 3.26Å; D799-E802 WeakPolarHBondContact OD2-CB 3.45Å; D799-A803 PolarHBondContact O-N 3.38Å; D799-R805 IonicContact OD1-NH2 2.85Å; D799-R805 PolarHBondContact OD1-NH2 3.16Å; D799-R805 IonicContact OD2-NH2 2.98Å; D799-R805 PolarHBondContact OD2-NH2 3.25Å; D799-R805 VanDerWaalsContact OD2-NH2 3.16Å | ||
| 800 | A | 62.4 | Low | 79.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.8 | -25.7 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | F656 M793 L804 | F656-A800 HydrophobicContact CD1-CB 3.79Å; F656-A800 HydrophobicContact CD2-CB 3.9Å; F656-A800 HydrophobicContact CE1-CB 3.43Å; F656-A800 VanDerWaalsContact CE1-CB 3.43Å; F656-A800 HydrophobicContact CE2-CB 3.53Å; F656-A800 HydrophobicContact CG-CB 4.04Å; F656-A800 VanDerWaalsContact CZ-C 3.47Å; F656-A800 HydrophobicContact CZ-CB 3.3Å; M793-A800 HydrophobicContact CE-CB 3.58Å; M793-A800 HydrophobicContact SD-CB 3.67Å; A800-L804 WeakPolarHBondContact O-CB 3.45Å; A800-L804 PolarHBondContact O-N 2.97Å; A800-L804 VanDerWaalsContact O-N 3.1Å |
| 801 | D | 63.9 | Low | 79.1 | Confident | 32 Ų | 32 | 51.8 Ų | 51.8 | 17% | 0.171 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -79.5 | -28.1 | 173.5 | -78.8 | -40 | 0 | 0 | 0 | 112.2 | D799 R805 Y816 | D799-D801 PolarHBondContact O-N 2.87Å; D799-D801 VanDerWaalsContact OD1-CA 3.31Å; D799-D801 WeakPolarHBondContact OD1-CA 3.43Å; D799-D801 WeakPolarHBondContact OD1-CB 3.22Å; D799-D801 PolarHBondContact OD1-N 2.87Å; D801-R805 VanDerWaalsContact C-NE 3.33Å; D801-R805 VanDerWaalsContact O-CB 3.29Å; D801-R805 WeakPolarHBondContact O-CB 2.98Å; D801-R805 WeakPolarHBondContact O-CG 3.19Å; D801-R805 PolarHBondContact O-N 2.63Å; D801-R805 PolarHBondContact O-NE 2.89Å; D801-Y816 PolarHBondContact OD1-OH 3.29Å |
| 802 | E | 73.5 | Confident | 78 | Confident | 41 Ų | 41 | 56.1 Ų | 56.1 | 19% | 0.192 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -75.2 | -46 | 172.1 | 173.7 | 57.3 | -168.9 | 0 | 0 | 111.7 | L798 D799 L804 R805 R806 | L798-E802 HydrophobicContact CB-CB 4.39Å; L798-E802 HydrophobicContact CB-CG 4.27Å; L798-E802 HydrophobicContact CD1-CG 4.3Å; L798-E802 HydrophobicContact CD2-CG 3.96Å; L798-E802 HydrophobicContact CG-CG 4.39Å; D799-E802 PolarHBondContact O-N 3.05Å; D799-E802 VanDerWaalsContact O-N 3.08Å; D799-E802 PolarHBondContact OD1-N 3.26Å; D799-E802 WeakPolarHBondContact OD2-CB 3.45Å; E802-L804 PolarHBondContact O-N 3.09Å; E802-R805 VanDerWaalsContact CA-CZ 3.42Å; E802-R805 VanDerWaalsContact N-NH2 3.19Å; E802-R805 WeakPolarHBondContact O-CB 3.2Å; E802-R805 PolarHBondContact O-N 3.05Å; E802-R805 VanDerWaalsContact O-N 3.14Å; E802-R805 IonicContact OE2-CZ 2.7Å; E802-R805 IonicContact OE2-NE 3.61Å; E802-R805 IonicContact OE2-NH1 3.93Å; E802-R805 PolarHBondContact OE2-NH1 2.99Å; E802-R805 IonicContact OE2-NH2 2.9Å; E802-R806 WeakPolarHBondContact O-CG 3.34Å; E802-R806 PolarHBondContact O-N 3.42Å; E802-R806 IonicContact OE1-CZ 2.7Å; E802-R806 VanDerWaalsContact OE1-CZ 3.25Å; E802-R806 IonicContact OE1-NE 3.08Å; E802-R806 PolarHBondContact OE1-NE 3.18Å; E802-R806 IonicContact OE1-NH2 3.18Å; E802-R806 PolarHBondContact OE1-NH2 3.1Å |
| 803 | A | 76.1 | Confident | 76.9 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.8 | -43.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | T789 L792 M793 L798 D799 R806 V807 | T789-A803 HydrophobicContact CG2-CB 3.74Å; L792-A803 HydrophobicContact CB-CB 4.05Å; M793-A803 HydrophobicContact CB-CB 4.42Å; M793-A803 HydrophobicContact CG-CB 3.41Å; M793-A803 VanDerWaalsContact CG-CB 3.41Å; L798-A803 HydrophobicContact CB-CB 4.07Å; L798-A803 HydrophobicContact CD1-CB 4.2Å; D799-A803 PolarHBondContact O-N 3.38Å; A803-R806 PolarHBondContact O-N 3.07Å; A803-V807 WeakPolarHBondContact O-CG2 3.48Å; A803-V807 PolarHBondContact O-N 3.13Å |
| 804 | L | 77.6 | Confident | 76 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.5 | -39.3 | 175.6 | -177.9 | 52 | 0 | 0 | 0 | 112.4 | W652 F656 T789 A800 E802 R806 V807 R808 V814 Y816 | W652-L804 HydrophobicContact CE3-CD2 4.41Å; W652-L804 HydrophobicContact CH2-CD1 3.55Å; W652-L804 HydrophobicContact CH2-CD2 4.34Å; W652-L804 HydrophobicContact CH2-CG 4.5Å; W652-L804 HydrophobicContact CZ2-CD1 4.39Å; W652-L804 HydrophobicContact CZ3-CD1 3.87Å; W652-L804 HydrophobicContact CZ3-CD2 3.81Å; W652-L804 HydrophobicContact CZ3-CG 4.36Å; F656-L804 HydrophobicContact CE2-CD2 4.39Å; T789-L804 HydrophobicContact CG2-CB 4.09Å; A800-L804 WeakPolarHBondContact O-CB 3.45Å; A800-L804 PolarHBondContact O-N 2.97Å; A800-L804 VanDerWaalsContact O-N 3.1Å; E802-L804 PolarHBondContact O-N 3.09Å; L804-R806 VanDerWaalsContact C-N 3.31Å; L804-R806 PolarHBondContact O-N 2.82Å; L804-V807 PolarHBondContact O-N 3.35Å; L804-R808 HydrophobicContact CD1-CG 3.89Å; L804-R808 HydrophobicContact CG-CG 4.33Å; L804-R808 WeakPolarHBondContact O-CB 3.43Å; L804-R808 VanDerWaalsContact O-CG 3.23Å; L804-R808 WeakPolarHBondContact O-CG 3.2Å; L804-R808 PolarHBondContact O-N 3.31Å; L804-V814 HydrophobicContact CD1-CG1 4.11Å; L804-Y816 HydrophobicContact CD2-CD1 4.19Å; L804-Y816 HydrophobicContact CD2-CD2 3.27Å; L804-Y816 HydrophobicContact CD2-CE2 3.71Å; L804-Y816 HydrophobicContact CD2-CG 3.52Å; L804-Y816 HydrophobicContact CG-CG 4.41Å |
| 805 | R | 78.1 | Confident | 74.6 | Confident | 118 Ų | 118 | 58.1 Ų | 58.1 | 45% | 0.445 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -55.3 | -46.2 | 171.1 | -85.3 | 169.1 | -84 | 154.5 | -11.4 | 110.7 | D799 D801 E802 R808 N809 | D799-R805 IonicContact OD1-NH2 2.85Å; D799-R805 PolarHBondContact OD1-NH2 3.16Å; D799-R805 IonicContact OD2-NH2 2.98Å; D799-R805 PolarHBondContact OD2-NH2 3.25Å; D799-R805 VanDerWaalsContact OD2-NH2 3.16Å; D801-R805 VanDerWaalsContact C-NE 3.33Å; D801-R805 VanDerWaalsContact O-CB 3.29Å; D801-R805 WeakPolarHBondContact O-CB 2.98Å; D801-R805 WeakPolarHBondContact O-CG 3.19Å; D801-R805 PolarHBondContact O-N 2.63Å; D801-R805 PolarHBondContact O-NE 2.89Å; E802-R805 VanDerWaalsContact CA-CZ 3.42Å; E802-R805 VanDerWaalsContact N-NH2 3.19Å; E802-R805 WeakPolarHBondContact O-CB 3.2Å; E802-R805 PolarHBondContact O-N 3.05Å; E802-R805 VanDerWaalsContact O-N 3.14Å; E802-R805 IonicContact OE2-CZ 2.7Å; E802-R805 IonicContact OE2-NE 3.61Å; E802-R805 IonicContact OE2-NH1 3.93Å; E802-R805 PolarHBondContact OE2-NH1 2.99Å; E802-R805 IonicContact OE2-NH2 2.9Å; R805-R808 CarbonylContact O-C 3.56Å; R805-R808 PolarHBondContact O-N 2.85Å; R805-N809 WeakPolarHBondContact O-CB 3.29Å; R805-N809 PolarHBondContact O-N 3.1Å; R805-N809 PolarHBondContact O-ND2 2.84Å; R805-N809 PolarHBondContact O-OD1 3.26Å |
| 806 | R | 86.6 | Confident | 72.7 | Confident | 90 Ų | 90 | 57.2 Ų | 57.2 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.7 | -50.5 | 176 | -68 | -177.4 | -167.2 | -167.2 | 3 | 112.1 | L792 E802 A803 L804 R808 N809 C810 | L792-R806 HydrophobicContact CD1-CB 3.7Å; E802-R806 WeakPolarHBondContact O-CG 3.34Å; E802-R806 PolarHBondContact O-N 3.42Å; E802-R806 IonicContact OE1-CZ 2.7Å; E802-R806 VanDerWaalsContact OE1-CZ 3.25Å; E802-R806 IonicContact OE1-NE 3.08Å; E802-R806 PolarHBondContact OE1-NE 3.18Å; E802-R806 IonicContact OE1-NH2 3.18Å; E802-R806 PolarHBondContact OE1-NH2 3.1Å; A803-R806 PolarHBondContact O-N 3.07Å; L804-R806 VanDerWaalsContact C-N 3.31Å; L804-R806 PolarHBondContact O-N 2.82Å; R806-R808 VanDerWaalsContact C-N 3.25Å; R806-R808 PolarHBondContact O-N 2.91Å; R806-N809 PolarHBondContact O-N 3.25Å; R806-N809 VanDerWaalsContact O-N 3.13Å; R806-C810 PolarHBondContact O-N 3.27Å; R806-C810 VanDerWaalsContact O-N 3.08Å |
| 807 | V | 84.2 | Confident | 70.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.6 | -37.9 | 175.3 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | I696 P785 A788 L792 A803 L804 R811 V814 | I696-V807 HydrophobicContact CD1-CG1 4.41Å; I696-V807 HydrophobicContact CG2-CG2 3.91Å; P785-V807 HydrophobicContact CB-CG1 4.1Å; A788-V807 HydrophobicContact CB-CG2 4.43Å; L792-V807 HydrophobicContact CD1-CG2 3.84Å; A803-V807 WeakPolarHBondContact O-CG2 3.48Å; A803-V807 PolarHBondContact O-N 3.13Å; L804-V807 PolarHBondContact O-N 3.35Å; V807-R811 WeakPolarHBondContact O-CB 3.18Å; V807-R811 PolarHBondContact O-N 2.96Å; V807-V814 HydrophobicContact CG1-CG2 4.13Å |
| 808 | R | 80.9 | Confident | 68.9 | Low | 85 Ų | 85 | 54.1 Ų | 54.1 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -76.9 | -26.8 | 178 | -68.1 | -168.7 | 84 | -156.1 | -1.6 | 114.2 | L804 R805 R806 R811 P812 V814 | L804-R808 HydrophobicContact CD1-CG 3.89Å; L804-R808 HydrophobicContact CG-CG 4.33Å; L804-R808 WeakPolarHBondContact O-CB 3.43Å; L804-R808 VanDerWaalsContact O-CG 3.23Å; L804-R808 WeakPolarHBondContact O-CG 3.2Å; L804-R808 PolarHBondContact O-N 3.31Å; R805-R808 CarbonylContact O-C 3.56Å; R805-R808 PolarHBondContact O-N 2.85Å; R806-R808 VanDerWaalsContact C-N 3.25Å; R806-R808 PolarHBondContact O-N 2.91Å; R808-R811 CarbonylContact O-C 3.53Å; R808-R811 VanDerWaalsContact O-C 3.27Å; R808-P812 VanDerWaalsContact O-CA 3.3Å; R808-P812 WeakPolarHBondContact O-CA 3.5Å; R808-P812 VanDerWaalsContact O-N 3.16Å; R808-V814 HydrophobicContact CG-CB 4.12Å; R808-V814 HydrophobicContact CG-CG1 4.29Å; R808-V814 PolarHBondContact NE-O 3.39Å; R808-V814 PolarHBondContact NH2-O 2.96Å |
| 809 | N | 80.8 | Confident | 67.2 | Low | 130 Ų | 130 | 53.5 Ų | 53.5 | 70% | 0.695 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -69.4 | -40.5 | 173 | -70.2 | -17.1 | 0 | 0 | 0 | 110.3 | R805 R806 | R805-N809 WeakPolarHBondContact O-CB 3.29Å; R805-N809 PolarHBondContact O-N 3.1Å; R805-N809 PolarHBondContact O-ND2 2.84Å; R805-N809 PolarHBondContact O-OD1 3.26Å; R806-N809 PolarHBondContact O-N 3.25Å; R806-N809 VanDerWaalsContact O-N 3.13Å |
| 810 | C | 82 | Confident | 66.4 | Low | 52 Ų | 52 | 62.6 Ų | 62.6 | 35% | 0.351 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.2 | -38.8 | 171.2 | -58.7 | 0 | 0 | 0 | 0 | 112.4 | R695 I696 R806 | R695-C810 PolarHBondContact O-SG 3.08Å; I696-C810 HydrophobicContact CD1-CB 3.73Å; R806-C810 PolarHBondContact O-N 3.27Å; R806-C810 VanDerWaalsContact O-N 3.08Å |
| 811 | R | 76.5 | Confident | 65.9 | Low | 1 Ų | 1 | 62.9 Ų | 62.9 | 0% | 0.004 | 29% | 0.287 | C | S | . | . | trans | -134.5 | 87.2 | -175.6 | -169.6 | 169.7 | -173.2 | 98.6 | -15.8 | 113 | S692 D694 L702 L779 G780 V807 R808 I813 V814 | S692-R811 PolarHBondContact O-NH1 3.45Å; D694-R811 HydrophobicContact CB-CB 4.26Å; D694-R811 VanDerWaalsContact OD2-CB 3.22Å; D694-R811 WeakPolarHBondContact OD2-CB 3.4Å; D694-R811 WeakPolarHBondContact OD2-CD 3.45Å; D694-R811 WeakPolarHBondContact OD2-CG 3.22Å; D694-R811 IonicContact OD2-CZ 2.73Å; D694-R811 IonicContact OD2-NE 3.96Å; D694-R811 IonicContact OD2-NH1 3.12Å; D694-R811 PolarHBondContact OD2-NH1 3.46Å; L702-R811 VanDerWaalsContact CD2-CD 3.42Å; L702-R811 PolarHBondContact O-NH1 3.2Å; L779-R811 PolarHBondContact O-NH2 2.95Å; G780-R811 PolarHBondContact O-NE 2.86Å; V807-R811 WeakPolarHBondContact O-CB 3.18Å; V807-R811 PolarHBondContact O-N 2.96Å; R808-R811 CarbonylContact O-C 3.53Å; R808-R811 VanDerWaalsContact O-C 3.27Å; R811-I813 HydrophobicContact CG-CD1 4.42Å; R811-I813 HydrophobicContact CG-CG1 3.66Å; R811-I813 PolarHBondContact O-N 2.93Å; R811-V814 HydrophobicContact CB-CG2 4.07Å; R811-V814 HydrophobicContact CG-CG2 3.92Å; R811-V814 WeakPolarHBondContact O-CG2 3.27Å; R811-V814 PolarHBondContact O-N 3.4Å | ||
| 812 | P | 67.6 | Low | 65.6 | Low | 95 Ų | 95 | 65.8 Ų | 65.8 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.3 | -175.2 | -28.3 | 36.6 | 0 | 0 | 0 | 115.9 | R808 V814 | R808-P812 VanDerWaalsContact O-CA 3.3Å; R808-P812 WeakPolarHBondContact O-CA 3.5Å; R808-P812 VanDerWaalsContact O-N 3.16Å; P812-V814 VanDerWaalsContact C-N 3.26Å; P812-V814 PolarHBondContact O-N 2.86Å |
| 813 | I | 63.4 | Low | 64.8 | Low | 68 Ų | 68 | 69.1 Ų | 69.1 | 35% | 0.349 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -9.7 | -179.6 | 65.4 | 167.7 | 0 | 0 | 0 | 114.3 | V691 I781 R811 W815 | V691-I813 HydrophobicContact CG1-CD1 4.15Å; I781-I813 HydrophobicContact CD1-CD1 4.3Å; I781-I813 HydrophobicContact CG1-CD1 4.02Å; I781-I813 HydrophobicContact CG1-CG1 4.28Å; R811-I813 HydrophobicContact CG-CD1 4.42Å; R811-I813 HydrophobicContact CG-CG1 3.66Å; R811-I813 PolarHBondContact O-N 2.93Å; I813-W815 PolarHBondContact O-N 2.85Å |
| 814 | V | 65.2 | Low | 64.1 | Low | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -64.5 | 126.6 | 174.9 | 175.1 | 0 | 0 | 0 | 0 | 109.9 | W652 P785 L804 V807 R808 R811 P812 Y816 | W652-V814 HydrophobicContact CZ2-CG1 4.37Å; P785-V814 HydrophobicContact CB-CB 4.29Å; P785-V814 HydrophobicContact CB-CG1 3.59Å; P785-V814 HydrophobicContact CB-CG2 3.65Å; P785-V814 HydrophobicContact CG-CB 4.47Å; P785-V814 HydrophobicContact CG-CG1 4.19Å; P785-V814 HydrophobicContact CG-CG2 3.54Å; L804-V814 HydrophobicContact CD1-CG1 4.11Å; V807-V814 HydrophobicContact CG1-CG2 4.13Å; R808-V814 HydrophobicContact CG-CB 4.12Å; R808-V814 HydrophobicContact CG-CG1 4.29Å; R808-V814 PolarHBondContact NE-O 3.39Å; R808-V814 PolarHBondContact NH2-O 2.96Å; R811-V814 HydrophobicContact CB-CG2 4.07Å; R811-V814 HydrophobicContact CG-CG2 3.92Å; R811-V814 WeakPolarHBondContact O-CG2 3.27Å; R811-V814 PolarHBondContact O-N 3.4Å; P812-V814 VanDerWaalsContact C-N 3.26Å; P812-V814 PolarHBondContact O-N 2.86Å; V814-Y816 PolarHBondContact O-N 2.8Å |
| 815 | W | 54.8 | Low | 63.6 | Low | 126 Ų | 126 | 71.8 Ų | 71.8 | 48% | 0.477 | 34% | 0.344 | S | S | . | . | trans | -89.6 | 108.9 | -169 | -173.5 | 10 | 0 | 0 | 0 | 111.8 | L649 I781 I813 | L649-W815 HydrophobicContact CB-CH2 4.31Å; L649-W815 HydrophobicContact CB-CZ3 4.16Å; L649-W815 HydrophobicContact CD1-CD2 4.36Å; L649-W815 HydrophobicContact CD1-CE3 3.71Å; L649-W815 HydrophobicContact CD1-CZ3 3.93Å; L649-W815 HydrophobicContact CD2-CD2 3.65Å; L649-W815 HydrophobicContact CD2-CE3 3.71Å; L649-W815 HydrophobicContact CD2-CG 4.25Å; L649-W815 HydrophobicContact CD2-CH2 3.95Å; L649-W815 HydrophobicContact CD2-CZ2 3.92Å; L649-W815 HydrophobicContact CD2-CZ3 3.86Å; L649-W815 HydrophobicContact CG-CE3 4.24Å; L649-W815 HydrophobicContact CG-CZ3 4.21Å; I781-W815 HydrophobicContact CG2-CB 4.04Å; I813-W815 PolarHBondContact O-N 2.85Å | ||
| 816 | Y | 49.6 | Very low | 62.9 | Low | 57 Ų | 57 | 68 Ų | 68 | 22% | 0.224 | 33% | 0.331 | C | S | . | . | trans | -133.3 | 150.8 | 172.4 | 171.8 | -106.1 | 0 | 0 | 0 | 110.7 | D801 L804 V814 H818 | D801-Y816 PolarHBondContact OD1-OH 3.29Å; L804-Y816 HydrophobicContact CD2-CD1 4.19Å; L804-Y816 HydrophobicContact CD2-CD2 3.27Å; L804-Y816 HydrophobicContact CD2-CE2 3.71Å; L804-Y816 HydrophobicContact CD2-CG 3.52Å; L804-Y816 HydrophobicContact CG-CG 4.41Å; V814-Y816 PolarHBondContact O-N 2.8Å; Y816-H818 HydrophobicContact CD1-CB 4.33Å; Y816-H818 HydrophobicContact CE1-CB 3.57Å; Y816-H818 AromaticContact CE1-CG 3.88Å | ||
| 817 | V | 42.2 | Very low | 61.9 | Low | 37 Ų | 37 | 65.8 Ų | 65.8 | 22% | 0.224 | 33% | 0.327 | C | S | . | . | trans | -128.9 | 52.8 | -164.6 | -149.1 | 0 | 0 | 0 | 0 | 114.1 | A819 W868 | V817-A819 PolarHBondContact O-N 3.12Å; V817-W868 WeakPolarHBondContact CG1-O 3.43Å | ||
| 818 | H | 42.7 | Very low | 60.9 | Low | 126 Ų | 126 | 70.7 Ų | 70.7 | 58% | 0.583 | 35% | 0.353 | S | S | * | . | trans | -66.7 | 118.7 | 157.9 | -116.8 | -2.1 | 0 | 0 | 0 | 110.5 | Y816 | Y816-H818 HydrophobicContact CD1-CB 4.33Å; Y816-H818 HydrophobicContact CE1-CB 3.57Å; Y816-H818 AromaticContact CE1-CG 3.88Å | ||
| 819 | A | 39.7 | Very low | 60.2 | Low | 6 Ų | 6 | 69.2 Ų | 69.2 | 5% | 0.05 | 35% | 0.354 | C | S | . | . | trans | -121.3 | 95.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | V817 C821 K867 V869 | V817-A819 PolarHBondContact O-N 3.12Å; A819-C821 PolarHBondContact O-N 3.3Å; A819-K867 HydrophobicContact CB-CB 3.61Å; A819-K867 HydrophobicContact CB-CD 3.56Å; A819-K867 HydrophobicContact CB-CG 4.23Å; A819-V869 HydrophobicContact CB-CG2 3.88Å | ||
| 820 | R | 47.4 | Very low | 59.7 | Low | 249 Ų | 249 | 65 Ų | 65 | 94% | 0.94 | 33% | 0.333 | S | S | * | . | trans | -53.2 | 108.6 | 165 | -70.8 | -170.7 | -177.9 | -173 | 2.1 | 108 | ||||
| 821 | C | 52.1 | Low | 59 | Low | 6 Ų | 6 | 70.8 Ų | 70.8 | 4% | 0.041 | 36% | 0.355 | C | S | . | . | trans | -101.6 | 142.2 | -170.3 | -171.4 | 0 | 0 | 0 | 0 | 109.9 | A819 L823 S824 F826 C863 K877 | A819-C821 PolarHBondContact O-N 3.3Å; C821-L823 VanDerWaalsContact C-N 3.33Å; C821-S824 WeakPolarHBondContact CB-O 3.36Å; C821-S824 PolarHBondContact SG-OG 3.41Å; C821-S824 VanDerWaalsContact SG-OG 3.37Å; C821-F826 HydrophobicContact CB-CD2 4.03Å; C821-F826 HydrophobicContact CB-CE2 3.8Å; C821-C863 HydrophobicContact CB-CB 4.03Å; C821-C863 WeakPolarHBondContact CB-SG 3.3Å; C821-C863 WeakPolarHBondContact SG-CB 3.26Å; C821-C863 CovalentContact SG-SG 2.04Å; C821-C863 PolarHBondContact SG-SG 2.94Å; C821-K877 PolarHBondContact O-NZ 3.22Å | ||
| 822 | S | 55.9 | Low | 59 | Low | 92 Ų | 92 | 77.7 Ų | 77.7 | 64% | 0.643 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -78.2 | -16.5 | -178.9 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | ||
| 823 | L | 57 | Low | 59 | Low | 112 Ų | 112 | 73.4 Ų | 73.4 | 59% | 0.586 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -117.7 | -18.6 | -171 | -64.7 | 169.9 | 0 | 0 | 0 | 114.4 | C821 K877 | C821-L823 VanDerWaalsContact C-N 3.33Å; L823-K877 PolarHBondContact O-N 3.42Å |
| 824 | S | 62.9 | Low | 58.8 | Low | 10 Ų | 10 | 76.1 Ų | 76.1 | 7% | 0.07 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 150.9 | 179 | 38.7 | 0 | 0 | 0 | 0 | 111 | C821 F826 S874 I875 | C821-S824 WeakPolarHBondContact CB-O 3.36Å; C821-S824 PolarHBondContact SG-OG 3.41Å; C821-S824 VanDerWaalsContact SG-OG 3.37Å; S824-F826 VanDerWaalsContact OG-CE2 3.3Å; S824-F826 WeakPolarHBondContact OG-CE2 3.39Å; S824-S874 VanDerWaalsContact CB-OG 3.23Å; S824-S874 WeakPolarHBondContact CB-OG 3.47Å; S824-I875 CarbonylContact C-O 3.22Å; S824-I875 WeakPolarHBondContact CA-O 3.27Å; S824-I875 WeakPolarHBondContact CB-O 3.45Å |
| 825 | N | 65.5 | Low | 58.6 | Low | 48 Ų | 48 | 85.4 Ų | 85.4 | 26% | 0.257 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 129 | 158.8 | -74.9 | -16 | 0 | 0 | 0 | 106.9 | V827 I875 K877 T882 | N825-V827 HydrophobicContact CB-CG1 4.39Å; N825-I875 PolarHBondContact N-O 3.38Å; N825-I875 PolarHBondContact O-N 2.71Å; N825-K877 WeakPolarHBondContact OD1-CE 3.1Å; N825-T882 WeakPolarHBondContact ND2-CG2 3.14Å |
| 826 | F | 64.2 | Low | 58.8 | Low | 39 Ų | 39 | 81.7 Ų | 81.7 | 17% | 0.171 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 132.2 | 163.5 | -72.6 | -89.2 | 0 | 0 | 0 | 107.5 | C821 S824 L861 C863 V869 F873 | C821-F826 HydrophobicContact CB-CD2 4.03Å; C821-F826 HydrophobicContact CB-CE2 3.8Å; S824-F826 VanDerWaalsContact OG-CE2 3.3Å; S824-F826 WeakPolarHBondContact OG-CE2 3.39Å; F826-L861 HydrophobicContact CE1-CB 4.16Å; F826-C863 HydrophobicContact CE2-CB 3.82Å; F826-C863 HydrophobicContact CZ-CB 4.07Å; F826-V869 HydrophobicContact CB-CG1 4.04Å; F826-V869 HydrophobicContact CD1-CB 3.63Å; F826-V869 HydrophobicContact CD1-CG1 3.64Å; F826-V869 HydrophobicContact CD1-CG2 3.93Å; F826-V869 HydrophobicContact CD2-CB 4.47Å; F826-V869 HydrophobicContact CD2-CG2 3.85Å; F826-V869 HydrophobicContact CE1-CB 3.7Å; F826-V869 HydrophobicContact CE1-CG1 4.24Å; F826-V869 HydrophobicContact CE1-CG2 3.9Å; F826-V869 HydrophobicContact CE2-CG2 3.84Å; F826-V869 HydrophobicContact CG-CB 4.03Å; F826-V869 HydrophobicContact CG-CG1 3.83Å; F826-V869 HydrophobicContact CG-CG2 3.89Å; F826-V869 HydrophobicContact CZ-CB 4.17Å; F826-V869 HydrophobicContact CZ-CG2 3.86Å; F826-F873 VanDerWaalsContact CA-O 3.32Å; F826-F873 WeakPolarHBondContact CA-O 3.44Å |
| 827 | V | 64.8 | Low | 59.3 | Low | 43 Ų | 43 | 82 Ų | 82 | 26% | 0.261 | 41% | 0.41 | S | S | . | . | trans | -128.7 | 167.3 | -172.7 | -66.2 | 0 | 0 | 0 | 0 | 109.9 | N825 F873 I875 | N825-V827 HydrophobicContact CB-CG1 4.39Å; V827-F873 HydrophobicContact CG2-CB 3.91Å; V827-F873 PolarHBondContact N-O 3.41Å; V827-F873 VanDerWaalsContact N-O 3.12Å; V827-F873 WeakPolarHBondContact O-CB 3.19Å; V827-I875 HydrophobicContact CG1-CD1 4.16Å; V827-I875 HydrophobicContact CG2-CD1 3.91Å; V827-I875 HydrophobicContact CG2-CG1 4.06Å | ||
| 828 | N | 63.4 | Low | 60.2 | Low | 103 Ų | 103 | 85 Ų | 85 | 55% | 0.551 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -74.9 | 169.6 | 163.1 | -72.6 | -7.3 | 0 | 0 | 0 | 109.8 | V830 | N828-V830 PolarHBondContact O-N 2.96Š|
| 829 | P | 66.6 | Low | 61.1 | Low | 54 Ų | 54 | 82.2 Ų | 82.2 | 35% | 0.351 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 133.5 | 165.2 | -20.6 | 30.6 | 0 | 0 | 0 | 109.7 | W858 F873 | P829-W858 HydrophobicContact CG-CH2 4.13Å; P829-F873 HydrophobicContact CB-CE1 4.21Å; P829-F873 HydrophobicContact CB-CZ 4.26Å; P829-F873 HydrophobicContact CG-CE1 4.09Å; P829-F873 HydrophobicContact CG-CE2 3.94Å; P829-F873 HydrophobicContact CG-CZ 3.66Å |
| 830 | V | 69.6 | Low | 62.4 | Low | 41 Ų | 41 | 89.3 Ų | 89.3 | 25% | 0.248 | 46% | 0.464 | C | S | . | . | P | Polyproline II helix | trans | -102.4 | 141.9 | 178.5 | -66.7 | 0 | 0 | 0 | 0 | 109.8 | N828 W832 M833 | N828-V830 PolarHBondContact O-N 2.96Å; V830-W832 HydrophobicContact CG2-CD2 4.31Å; V830-W832 HydrophobicContact CG2-CG 4.39Å; V830-W832 HydrophobicContact CG2-CZ2 4.29Å; V830-W832 PolarHBondContact O-N 2.89Å; V830-M833 HydrophobicContact CG2-CG 3.83Å; V830-M833 HydrophobicContact CG2-SD 4Å; V830-M833 WeakPolarHBondContact O-CB 3.23Å; V830-M833 VanDerWaalsContact O-CG 3.24Å; V830-M833 WeakPolarHBondContact O-CG 3.24Å; V830-M833 PolarHBondContact O-N 2.56Å |
| 831 | E | 68.3 | Low | 63.9 | Low | 173 Ų | 173 | 81 Ų | 81 | 81% | 0.808 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -49.8 | -36.9 | -166.5 | -59.9 | 174 | 164.2 | 0 | 0 | 114.9 | M833 N834 | E831-M833 PolarHBondContact O-N 3.26Å; E831-N834 PolarHBondContact O-N 2.86Å; E831-N834 PolarHBondContact O-ND2 3.47Å; E831-N834 PolarHBondContact O-OD1 3.07Å |
| 832 | W | 75.6 | Confident | 65.3 | Low | 146 Ų | 146 | 82 Ų | 82 | 55% | 0.553 | 45% | 0.448 | S | S | * | . | G | 310 helix | trans | -68.3 | 3.2 | 177.3 | 65.4 | 56.5 | 0 | 0 | 0 | 114.4 | V830 P847 L853 | V830-W832 HydrophobicContact CG2-CD2 4.31Å; V830-W832 HydrophobicContact CG2-CG 4.39Å; V830-W832 HydrophobicContact CG2-CZ2 4.29Å; V830-W832 PolarHBondContact O-N 2.89Å; W832-P847 HydrophobicContact CB-CB 4.47Å; W832-P847 HydrophobicContact CD2-CB 4.49Å; W832-P847 HydrophobicContact CD2-CG 3.72Å; W832-P847 HydrophobicContact CE3-CG 3.7Å; W832-P847 HydrophobicContact CG-CB 4.41Å; W832-P847 HydrophobicContact CG-CG 4.13Å; W832-P847 HydrophobicContact CH2-CG 4.44Å; W832-P847 HydrophobicContact CZ2-CG 4.48Å; W832-P847 HydrophobicContact CZ3-CG 4.07Å; W832-L853 HydrophobicContact CZ2-CD1 4.28Å |
| 833 | M | 68.2 | Low | 66.7 | Low | 5 Ų | 5 | 84.1 Ų | 84.1 | 3% | 0.025 | 45% | 0.445 | C | S | . | . | G | 310 helix | trans | -88.4 | 2.9 | 175.7 | -67.1 | -172.6 | 63.5 | 0 | 0 | 114.4 | V830 E831 E835 S836 I837 L844 F856 F873 | V830-M833 HydrophobicContact CG2-CG 3.83Å; V830-M833 HydrophobicContact CG2-SD 4Å; V830-M833 WeakPolarHBondContact O-CB 3.23Å; V830-M833 VanDerWaalsContact O-CG 3.24Å; V830-M833 WeakPolarHBondContact O-CG 3.24Å; V830-M833 PolarHBondContact O-N 2.56Å; E831-M833 PolarHBondContact O-N 3.26Å; M833-E835 VanDerWaalsContact C-N 3.27Å; M833-E835 PolarHBondContact O-N 3.02Å; M833-E835 VanDerWaalsContact O-N 3.07Å; M833-S836 CarbonylContact O-C 3.58Å; M833-S836 WeakPolarHBondContact O-CA 3.46Å; M833-S836 WeakPolarHBondContact O-CB 3.32Å; M833-S836 PolarHBondContact O-N 3.38Å; M833-I837 HydrophobicContact CB-CD1 4.31Å; M833-I837 HydrophobicContact CB-CG1 4.05Å; M833-I837 WeakPolarHBondContact O-CG1 3.43Å; M833-I837 PolarHBondContact O-N 2.74Å; M833-L844 HydrophobicContact CE-CD2 3.58Å; M833-L844 HydrophobicContact CG-CD2 4.31Å; M833-L844 HydrophobicContact SD-CD2 3.34Å; M833-L844 WeakPolarHBondContact SD-CD2 3.46Å; M833-F856 HydrophobicContact CE-CB 4.43Å; M833-F856 HydrophobicContact CE-CD1 3.46Å; M833-F856 VanDerWaalsContact CE-CD1 3.46Å; M833-F856 HydrophobicContact CE-CD2 4.08Å; M833-F856 HydrophobicContact CE-CE1 3.51Å; M833-F856 HydrophobicContact CE-CE2 4.12Å; M833-F856 HydrophobicContact CE-CG 3.76Å; M833-F856 HydrophobicContact CE-CZ 3.86Å; M833-F873 HydrophobicContact CE-CD1 3.98Å; M833-F873 HydrophobicContact CE-CE1 3.63Å; M833-F873 HydrophobicContact SD-CD1 4Å; M833-F873 HydrophobicContact SD-CE1 4.01Å |
| 834 | N | 59.6 | Low | 67.8 | Low | 126 Ų | 126 | 79.1 Ų | 79.1 | 67% | 0.674 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | -38.2 | -171.4 | -71 | -16 | 0 | 0 | 0 | 115 | E831 | E831-N834 PolarHBondContact O-N 2.86Å; E831-N834 PolarHBondContact O-ND2 3.47Å; E831-N834 PolarHBondContact O-OD1 3.07Å |
| 835 | E | 60.3 | Low | 68.7 | Low | 194 Ų | 194 | 82.3 Ų | 82.3 | 91% | 0.907 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -24.5 | 173.6 | -60.5 | -177.3 | 164.1 | 0 | 0 | 114.1 | M833 | M833-E835 VanDerWaalsContact C-N 3.27Å; M833-E835 PolarHBondContact O-N 3.02Å; M833-E835 VanDerWaalsContact O-N 3.07Å |
| 836 | S | 59.4 | Low | 69.5 | Low | 48 Ų | 48 | 81.3 Ų | 81.3 | 34% | 0.336 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -21.6 | -175.5 | -62.9 | 0 | 0 | 0 | 0 | 114.2 | M833 A838 C839 F856 | M833-S836 CarbonylContact O-C 3.58Å; M833-S836 WeakPolarHBondContact O-CA 3.46Å; M833-S836 WeakPolarHBondContact O-CB 3.32Å; M833-S836 PolarHBondContact O-N 3.38Å; S836-A838 PolarHBondContact O-N 3.08Å; S836-C839 PolarHBondContact O-N 3.2Å; S836-C839 VanDerWaalsContact O-N 3.1Å; S836-F856 WeakPolarHBondContact O-CZ 3.35Å |
| 837 | I | 59.3 | Low | 70.1 | Confident | 64 Ų | 64 | 83.4 Ų | 83.4 | 33% | 0.328 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -33.3 | -172.7 | -81.7 | 168.6 | 0 | 0 | 0 | 112.6 | M833 C839 W858 | M833-I837 HydrophobicContact CB-CD1 4.31Å; M833-I837 HydrophobicContact CB-CG1 4.05Å; M833-I837 WeakPolarHBondContact O-CG1 3.43Å; M833-I837 PolarHBondContact O-N 2.74Å; I837-C839 PolarHBondContact O-N 3.3Å; I837-C839 VanDerWaalsContact O-N 3.13Å; I837-W858 HydrophobicContact CG2-CZ2 4.23Å |
| 838 | A | 61.5 | Low | 70.8 | Confident | 99 Ų | 99 | 92.8 Ų | 92.8 | 82% | 0.818 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | S836 | S836-A838 PolarHBondContact O-N 3.08Š|
| 839 | C | 62.4 | Low | 71.9 | Confident | 69 Ų | 69 | 92.1 Ų | 92.1 | 47% | 0.466 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -85.7 | 133.7 | 178.4 | -68.7 | 0 | 0 | 0 | 0 | 111.9 | S836 I837 Q841 F856 W858 | S836-C839 PolarHBondContact O-N 3.2Å; S836-C839 VanDerWaalsContact O-N 3.1Å; I837-C839 PolarHBondContact O-N 3.3Å; I837-C839 VanDerWaalsContact O-N 3.13Å; C839-Q841 WeakPolarHBondContact CB-O 3.29Å; C839-Q841 PolarHBondContact O-N 3.32Å; C839-Q841 VanDerWaalsContact O-N 3.09Å; C839-F856 HydrophobicContact CB-CE2 4.48Å; C839-F856 HydrophobicContact CB-CZ 4.37Å; C839-F856 WeakPolarHBondContact O-CE2 3.49Å; C839-W858 PolarHBondContact O-NE1 2.93Å |
| 840 | Q | 66.3 | Low | 72.5 | Confident | 154 Ų | 154 | 93.7 Ų | 93.7 | 72% | 0.72 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -65.4 | -12.6 | 174.2 | -75.5 | -157.6 | -4.9 | 0 | 0 | 114.6 | W858 | Q840-W858 PolarHBondContact O-N 3.01Å; Q840-W858 VanDerWaalsContact O-N 3.12Å |
| 841 | Q | 78.9 | Confident | 73.1 | Confident | 76 Ų | 76 | 94.1 Ų | 94.1 | 36% | 0.355 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 158 | 167.9 | 55.7 | -177.8 | -32.1 | 0 | 0 | 111 | D642 C839 F856 R857 | D642-Q841 PolarHBondContact OD2-NE2 3.16Å; D642-Q841 PolarHBondContact OD2-OE1 3.37Å; C839-Q841 WeakPolarHBondContact CB-O 3.29Å; C839-Q841 PolarHBondContact O-N 3.32Å; C839-Q841 VanDerWaalsContact O-N 3.09Å; Q841-F856 CarbonylContact C-O 3.56Å; Q841-F856 VanDerWaalsContact CA-O 3.27Å; Q841-F856 WeakPolarHBondContact CA-O 3.48Å; Q841-F856 WeakPolarHBondContact CB-O 3.34Å; Q841-R857 HydrophobicContact CB-CB 4.12Å; Q841-R857 HydrophobicContact CB-CG 4.19Å |
| 842 | G | 81.8 | Confident | 73.9 | Confident | 27 Ų | 27 | 91.2 Ų | 91.2 | 28% | 0.278 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.5 | -170.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S855 F856 | G842-S855 CarbonylContact O-C 3.56Å; G842-S855 VanDerWaalsContact O-CA 3.26Å; G842-S855 WeakPolarHBondContact O-CA 3.33Å; G842-S855 WeakPolarHBondContact O-CB 3.39Å; G842-F856 VanDerWaalsContact C-CE1 3.5Å; G842-F856 PolarHBondContact N-O 3.46Å; G842-F856 PolarHBondContact O-N 2.81Å |
| 843 | K | 84.7 | Confident | 74.2 | Confident | 135 Ų | 135 | 85.2 Ų | 85.2 | 59% | 0.587 | 46% | 0.462 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 131.9 | 178.6 | -63.5 | 164.2 | -171.9 | 161.2 | 0 | 108 | L845 R852 | K843-L845 HydrophobicContact CB-CD2 3.86Å; K843-L845 HydrophobicContact CB-CG 4.42Å; K843-L845 PolarHBondContact O-N 2.93Å; K843-R852 HydrophobicContact CB-CG 4.32Å |
| 844 | L | 80.1 | Confident | 75 | Confident | 7 Ų | 7 | 85 Ų | 85 | 4% | 0.037 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 113.9 | 167.4 | -61.7 | 174.5 | 0 | 0 | 0 | 107 | M833 R852 L853 G854 F856 F873 I875 | M833-L844 HydrophobicContact CE-CD2 3.58Å; M833-L844 HydrophobicContact CG-CD2 4.31Å; M833-L844 HydrophobicContact SD-CD2 3.34Å; M833-L844 WeakPolarHBondContact SD-CD2 3.46Å; L844-R852 CarbonylContact O-C 3.58Å; L844-R852 WeakPolarHBondContact O-CA 3.38Å; L844-L853 PolarHBondContact O-N 3.06Å; L844-G854 PolarHBondContact N-O 2.88Å; L844-G854 VanDerWaalsContact N-O 3.13Å; L844-G854 PolarHBondContact O-N 3.22Å; L844-G854 VanDerWaalsContact O-N 3.13Å; L844-F856 HydrophobicContact CD2-CB 4.3Å; L844-F856 HydrophobicContact CD2-CD1 3.73Å; L844-F856 HydrophobicContact CD2-CG 4.4Å; L844-F856 HydrophobicContact CG-CD1 4.23Å; L844-F873 HydrophobicContact CD2-CD1 4.5Å; L844-I875 HydrophobicContact CD1-CG1 3.67Å |
| 845 | L | 83.3 | Confident | 76.1 | Confident | 78 Ų | 78 | 80.5 Ų | 80.5 | 41% | 0.408 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 149.3 | 177.7 | -53.2 | -175.2 | 0 | 0 | 0 | 109.5 | K843 A851 R852 | K843-L845 HydrophobicContact CB-CD2 3.86Å; K843-L845 HydrophobicContact CB-CG 4.42Å; K843-L845 PolarHBondContact O-N 2.93Å; L845-A851 CarbonylContact C-O 3.51Å; L845-A851 WeakPolarHBondContact CA-O 3.26Å; L845-R852 HydrophobicContact CD2-CB 4.02Å; L845-R852 HydrophobicContact CD2-CG 4.39Å |
| 846 | C | 81.2 | Confident | 77.1 | Confident | 26 Ų | 26 | 71.5 Ų | 71.5 | 18% | 0.176 | 40% | 0.398 | C | S | . | . | trans | -74.2 | 126.5 | 169.7 | 176.6 | 0 | 0 | 0 | 0 | 109.4 | R848 C849 S850 A851 L853 | C846-R848 PolarHBondContact O-N 2.84Å; C846-C849 PolarHBondContact O-N 2.86Å; C846-S850 VanDerWaalsContact O-CA 3.32Å; C846-S850 WeakPolarHBondContact O-CA 3.41Å; C846-S850 PolarHBondContact O-N 3.34Å; C846-A851 HydrophobicContact CB-CB 4.49Å; C846-A851 PolarHBondContact N-O 3.32Å; C846-L853 HydrophobicContact CB-CD1 4.01Å; C846-L853 HydrophobicContact CB-CD2 4.09Å; C846-L853 HydrophobicContact CB-CG 3.97Å | ||
| 847 | P | 77.7 | Confident | 77.7 | Confident | 84 Ų | 84 | 72.1 Ų | 72.1 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -25 | -177.4 | 27.1 | -37 | 0 | 0 | 0 | 113.1 | W832 | W832-P847 HydrophobicContact CB-CB 4.47Å; W832-P847 HydrophobicContact CD2-CB 4.49Å; W832-P847 HydrophobicContact CD2-CG 3.72Å; W832-P847 HydrophobicContact CE3-CG 3.7Å; W832-P847 HydrophobicContact CG-CB 4.41Å; W832-P847 HydrophobicContact CG-CG 4.13Å; W832-P847 HydrophobicContact CH2-CG 4.44Å; W832-P847 HydrophobicContact CZ2-CG 4.48Å; W832-P847 HydrophobicContact CZ3-CG 4.07Å |
| 848 | R | 79 | Confident | 78.1 | Confident | 239 Ų | 239 | 71.6 Ų | 71.6 | 90% | 0.902 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -22.5 | -176.4 | -158.7 | -178 | -64.7 | -173 | 1.6 | 114.4 | C846 | C846-R848 PolarHBondContact O-N 2.84Š|
| 849 | C | 85.4 | Confident | 77.7 | Confident | 89 Ų | 89 | 68.6 Ų | 68.6 | 60% | 0.601 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.4 | 8 | -173.4 | 66.8 | 0 | 0 | 0 | 0 | 115.2 | C846 A851 | C846-C849 PolarHBondContact O-N 2.86Å; C849-A851 PolarHBondContact O-N 3.36Å |
| 850 | S | 80.8 | Confident | 77.7 | Confident | 87 Ų | 87 | 65.3 Ų | 65.3 | 61% | 0.608 | 34% | 0.34 | S | S | * | . | trans | 55.7 | 7.4 | -177.5 | -63.6 | 0 | 0 | 0 | 0 | 116.1 | C846 R852 | C846-S850 VanDerWaalsContact O-CA 3.32Å; C846-S850 WeakPolarHBondContact O-CA 3.41Å; C846-S850 PolarHBondContact O-N 3.34Å; S850-R852 PolarHBondContact O-N 3.05Å | ||
| 851 | A | 81.2 | Confident | 77.6 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 41% | 0.413 | 32% | 0.315 | S | S | . | . | trans | -65.5 | 132.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | L845 C846 C849 L853 | L845-A851 CarbonylContact C-O 3.51Å; L845-A851 WeakPolarHBondContact CA-O 3.26Å; C846-A851 HydrophobicContact CB-CB 4.49Å; C846-A851 PolarHBondContact N-O 3.32Å; C849-A851 PolarHBondContact O-N 3.36Å; A851-L853 PolarHBondContact O-N 3.15Å | ||
| 852 | R | 84.8 | Confident | 76.8 | Confident | 113 Ų | 113 | 61.6 Ų | 61.6 | 43% | 0.426 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 96.5 | -179.5 | -176.5 | -177.4 | 174 | -173.9 | -1.4 | 111.4 | K843 L844 L845 S850 G854 S855 K879 | K843-R852 HydrophobicContact CB-CG 4.32Å; L844-R852 CarbonylContact O-C 3.58Å; L844-R852 WeakPolarHBondContact O-CA 3.38Å; L845-R852 HydrophobicContact CD2-CB 4.02Å; L845-R852 HydrophobicContact CD2-CG 4.39Å; S850-R852 PolarHBondContact O-N 3.05Å; R852-G854 VanDerWaalsContact C-N 3.31Å; R852-G854 WeakPolarHBondContact CG-O 3.23Å; R852-G854 PolarHBondContact NE-O 3.1Å; R852-S855 VanDerWaalsContact NH2-CB 3.34Å; R852-S855 PolarHBondContact NH2-OG 3.39Å; R852-K879 WeakPolarHBondContact O-CD 3.21Å; R852-K879 WeakPolarHBondContact O-CE 3.14Å; R852-K879 PolarHBondContact O-NZ 2.86Å |
| 853 | L | 83.4 | Confident | 75.7 | Confident | 19 Ų | 19 | 60.5 Ų | 60.5 | 10% | 0.099 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | -33.1 | 171.8 | -58.9 | -179.8 | 0 | 0 | 0 | 112.4 | W832 L844 C846 A851 I875 Q876 K879 V880 | W832-L853 HydrophobicContact CZ2-CD1 4.28Å; L844-L853 PolarHBondContact O-N 3.06Å; C846-L853 HydrophobicContact CB-CD1 4.01Å; C846-L853 HydrophobicContact CB-CD2 4.09Å; C846-L853 HydrophobicContact CB-CG 3.97Å; A851-L853 PolarHBondContact O-N 3.15Å; L853-I875 HydrophobicContact CB-CG2 4.49Å; L853-Q876 PolarHBondContact O-N 2.99Å; L853-K879 HydrophobicContact CD2-CB 4.48Å; L853-V880 HydrophobicContact CD1-CG1 4.38Å; L853-V880 HydrophobicContact CD2-CG1 4.03Å |
| 854 | G | 84.2 | Confident | 74.3 | Confident | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.9 | -150.2 | -171 | 0 | 0 | 0 | 0 | 0 | 115.2 | L844 R852 S874 | L844-G854 PolarHBondContact N-O 2.88Å; L844-G854 VanDerWaalsContact N-O 3.13Å; L844-G854 PolarHBondContact O-N 3.22Å; L844-G854 VanDerWaalsContact O-N 3.13Å; R852-G854 VanDerWaalsContact C-N 3.31Å; R852-G854 WeakPolarHBondContact CG-O 3.23Å; R852-G854 PolarHBondContact NE-O 3.1Å; G854-S874 WeakPolarHBondContact CA-O 3.36Å |
| 855 | S | 83.5 | Confident | 72.9 | Confident | 30 Ų | 30 | 60.2 Ų | 60.2 | 21% | 0.21 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 153.1 | 170.8 | 28.9 | 0 | 0 | 0 | 0 | 110.7 | G842 R852 S874 | G842-S855 CarbonylContact O-C 3.56Å; G842-S855 VanDerWaalsContact O-CA 3.26Å; G842-S855 WeakPolarHBondContact O-CA 3.33Å; G842-S855 WeakPolarHBondContact O-CB 3.39Å; R852-S855 VanDerWaalsContact NH2-CB 3.34Å; R852-S855 PolarHBondContact NH2-OG 3.39Å; S855-S874 PolarHBondContact N-O 3.16Å; S855-S874 VanDerWaalsContact N-O 3.11Å; S855-S874 PolarHBondContact O-N 3.09Å |
| 856 | F | 80.5 | Confident | 71.3 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 2% | 0.022 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 146.8 | 175 | 67 | -83.1 | 0 | 0 | 0 | 111.4 | M833 S836 C839 Q841 G842 L844 G872 F873 | M833-F856 HydrophobicContact CE-CB 4.43Å; M833-F856 HydrophobicContact CE-CD1 3.46Å; M833-F856 VanDerWaalsContact CE-CD1 3.46Å; M833-F856 HydrophobicContact CE-CD2 4.08Å; M833-F856 HydrophobicContact CE-CE1 3.51Å; M833-F856 HydrophobicContact CE-CE2 4.12Å; M833-F856 HydrophobicContact CE-CG 3.76Å; M833-F856 HydrophobicContact CE-CZ 3.86Å; S836-F856 WeakPolarHBondContact O-CZ 3.35Å; C839-F856 HydrophobicContact CB-CE2 4.48Å; C839-F856 HydrophobicContact CB-CZ 4.37Å; C839-F856 WeakPolarHBondContact O-CE2 3.49Å; Q841-F856 CarbonylContact C-O 3.56Å; Q841-F856 VanDerWaalsContact CA-O 3.27Å; Q841-F856 WeakPolarHBondContact CA-O 3.48Å; Q841-F856 WeakPolarHBondContact CB-O 3.34Å; G842-F856 VanDerWaalsContact C-CE1 3.5Å; G842-F856 PolarHBondContact N-O 3.46Å; G842-F856 PolarHBondContact O-N 2.81Å; L844-F856 HydrophobicContact CD2-CB 4.3Å; L844-F856 HydrophobicContact CD2-CD1 3.73Å; L844-F856 HydrophobicContact CD2-CG 4.4Å; L844-F856 HydrophobicContact CG-CD1 4.23Å; F856-G872 CarbonylContact C-O 3.03Å; F856-G872 VanDerWaalsContact CA-O 3.23Å; F856-G872 WeakPolarHBondContact CA-O 3.36Å; F856-F873 HydrophobicContact CB-CB 4.32Å; F856-F873 HydrophobicContact CB-CD1 3.24Å; F856-F873 HydrophobicContact CB-CE1 3.57Å; F856-F873 HydrophobicContact CB-CG 3.82Å; F856-F873 HydrophobicContact CB-CZ 4.4Å; F856-F873 HydrophobicContact CD2-CD1 4.47Å; F856-F873 AromaticContact CD2-CE1 3.93Å; F856-F873 HydrophobicContact CD2-CE1 3.93Å; F856-F873 HydrophobicContact CD2-CZ 4.49Å; F856-F873 HydrophobicContact CG-CD1 4Å; F856-F873 AromaticContact CG-CE1 3.9Å; F856-F873 HydrophobicContact CG-CE1 3.9Å |
| 857 | R | 72.1 | Confident | 69.7 | Low | 61 Ų | 61 | 62.7 Ų | 62.7 | 23% | 0.23 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 119.8 | 168.6 | 179.4 | 174.7 | -68.4 | -175.8 | -3.7 | 108.3 | D642 Q841 A859 G860 L861 G872 | D642-R857 IonicContact OD1-CZ 3.45Å; D642-R857 IonicContact OD1-NH1 3.02Å; D642-R857 PolarHBondContact OD1-NH1 2.96Å; D642-R857 IonicContact OD1-NH2 3.31Å; D642-R857 PolarHBondContact OD1-NH2 3.27Å; D642-R857 IonicContact OD2-CZ 2.95Å; D642-R857 VanDerWaalsContact OD2-CZ 3.31Å; D642-R857 IonicContact OD2-NE 2.64Å; D642-R857 IonicContact OD2-NH1 3.72Å; D642-R857 IonicContact OD2-NH2 3.74Å; D642-R857 PolarHBondContact OD2-NH2 3.49Å; Q841-R857 HydrophobicContact CB-CB 4.12Å; Q841-R857 HydrophobicContact CB-CG 4.19Å; R857-A859 VanDerWaalsContact C-N 3.26Å; R857-A859 HydrophobicContact CG-CB 3.95Å; R857-A859 PolarHBondContact O-N 2.85Å; R857-G860 WeakPolarHBondContact CD-O 3.46Å; R857-G860 WeakPolarHBondContact CG-O 3.45Å; R857-G860 PolarHBondContact O-N 3.21Å; R857-L861 HydrophobicContact CB-CD2 3.96Å; R857-L861 HydrophobicContact CB-CG 4.17Å; R857-G872 PolarHBondContact N-O 3.23Å; R857-G872 WeakPolarHBondContact O-CA 3.42Å; R857-G872 PolarHBondContact O-N 2.99Å |
| 858 | W | 66.8 | Low | 68.5 | Low | 53 Ų | 53 | 63.5 Ų | 63.5 | 20% | 0.201 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -36.1 | 178 | -66.4 | 95.3 | 0 | 0 | 0 | 110.9 | F653 C657 P829 I837 C839 Q840 G860 F873 | F653-W858 HydrophobicContact CD1-CE3 4.47Å; F653-W858 AromaticContact CE1-CE3 3.84Å; F653-W858 HydrophobicContact CE1-CE3 3.84Å; F653-W858 HydrophobicContact CE1-CZ3 4.07Å; C657-W858 HydrophobicContact CB-CZ3 4.49Å; P829-W858 HydrophobicContact CG-CH2 4.13Å; I837-W858 HydrophobicContact CG2-CZ2 4.23Å; C839-W858 PolarHBondContact O-NE1 2.93Å; Q840-W858 PolarHBondContact O-N 3.01Å; Q840-W858 VanDerWaalsContact O-N 3.12Å; W858-G860 PolarHBondContact O-N 3.45Å; W858-F873 HydrophobicContact CD2-CZ 4.12Å; W858-F873 AromaticContact CE2-CZ 3.94Å; W858-F873 HydrophobicContact CE3-CE2 4.21Å; W858-F873 HydrophobicContact CE3-CZ 4.11Å; W858-F873 HydrophobicContact CH2-CE2 4.46Å; W858-F873 AromaticContact CH2-CZ 3.84Å; W858-F873 HydrophobicContact CH2-CZ 3.84Å; W858-F873 AromaticContact CZ2-CZ 3.83Å; W858-F873 HydrophobicContact CZ2-CZ 3.83Å; W858-F873 HydrophobicContact CZ3-CE2 4.15Å; W858-F873 AromaticContact CZ3-CZ 3.96Å; W858-F873 HydrophobicContact CZ3-CZ 3.96Å |
| 859 | A | 54.3 | Low | 67.3 | Low | 36 Ų | 36 | 52.5 Ų | 52.5 | 30% | 0.298 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 17 | 168.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | F650 R857 | F650-A859 HydrophobicContact CZ-CB 4.4Å; R857-A859 VanDerWaalsContact C-N 3.26Å; R857-A859 HydrophobicContact CG-CB 3.95Å; R857-A859 PolarHBondContact O-N 2.85Å |
| 860 | G | 63 | Low | 65.7 | Low | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | trans | 81.6 | 163.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | R857 W858 V869 | R857-G860 WeakPolarHBondContact CD-O 3.46Å; R857-G860 WeakPolarHBondContact CG-O 3.45Å; R857-G860 PolarHBondContact O-N 3.21Å; W858-G860 PolarHBondContact O-N 3.45Å; G860-V869 CarbonylContact C-O 3.51Å; G860-V869 WeakPolarHBondContact CA-O 3.27Å | ||
| 861 | L | 63.7 | Low | 64.7 | Low | 36 Ų | 36 | 47.2 Ų | 47.2 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 146.6 | 172.1 | -71.6 | -179 | 0 | 0 | 0 | 110.6 | F826 R857 W868 V869 G872 | F826-L861 HydrophobicContact CE1-CB 4.16Å; R857-L861 HydrophobicContact CB-CD2 3.96Å; R857-L861 HydrophobicContact CB-CG 4.17Å; L861-W868 CarbonylContact O-C 3.56Å; L861-V869 PolarHBondContact N-O 2.97Å; L861-V869 PolarHBondContact O-N 3.26Å; L861-G872 WeakPolarHBondContact CD1-O 3.37Å; L861-G872 WeakPolarHBondContact CG-O 3.4Å |
| 862 | Q | 60.7 | Low | 64.1 | Low | 116 Ų | 116 | 44.9 Ų | 44.9 | 54% | 0.542 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.3 | 169.5 | -158.1 | 176 | 25.5 | 0 | 0 | 110.2 | G866 W868 | Q862-G866 WeakPolarHBondContact CG-O 3.2Å; Q862-G866 PolarHBondContact NE2-O 3.01Å; Q862-W868 HydrophobicContact CB-CD2 4.22Å; Q862-W868 HydrophobicContact CB-CZ2 4.43Å; Q862-W868 HydrophobicContact CG-CD2 4.44Å; Q862-W868 HydrophobicContact CG-CG 4.38Å |
| 863 | C | 59.1 | Low | 63.7 | Low | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | trans | -62.1 | 152 | 168.5 | 162.3 | 0 | 0 | 0 | 0 | 109.9 | C821 F826 C865 G866 K867 | C821-C863 HydrophobicContact CB-CB 4.03Å; C821-C863 WeakPolarHBondContact CB-SG 3.3Å; C821-C863 WeakPolarHBondContact SG-CB 3.26Å; C821-C863 CovalentContact SG-SG 2.04Å; C821-C863 PolarHBondContact SG-SG 2.94Å; F826-C863 HydrophobicContact CE2-CB 3.82Å; F826-C863 HydrophobicContact CZ-CB 4.07Å; C863-C865 PolarHBondContact O-N 3.23Å; C863-C865 PolarHBondContact SG-N 3.28Å; C863-C865 VanDerWaalsContact SG-N 3.38Å; C863-C865 PolarHBondContact SG-SG 2.99Å; C863-G866 PolarHBondContact O-N 3.25Å; C863-K867 WeakPolarHBondContact CB-O 3.41Å; C863-K867 PolarHBondContact N-O 3.34Å | ||
| 864 | G | 55.6 | Low | 63.4 | Low | 65 Ų | 65 | 39.4 Ų | 39.4 | 67% | 0.67 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -4.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 865 | C | 51.3 | Low | 63.2 | Low | 70 Ų | 70 | 40.2 Ų | 40.2 | 47% | 0.473 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 4.7 | 168.5 | 78.1 | 0 | 0 | 0 | 0 | 114 | C863 K867 | C863-C865 PolarHBondContact O-N 3.23Å; C863-C865 PolarHBondContact SG-N 3.28Å; C863-C865 VanDerWaalsContact SG-N 3.38Å; C863-C865 PolarHBondContact SG-SG 2.99Å; C865-K867 VanDerWaalsContact C-N 3.33Å; C865-K867 PolarHBondContact O-N 2.86Å |
| 866 | G | 49.9 | Very low | 62.8 | Low | 41 Ų | 41 | 42.4 Ų | 42.4 | 42% | 0.423 | 24% | 0.236 | S | C | . | . | S | Bend | trans | 87.8 | -15 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q862 C863 | Q862-G866 WeakPolarHBondContact CG-O 3.2Å; Q862-G866 PolarHBondContact NE2-O 3.01Å; C863-G866 PolarHBondContact O-N 3.25Å |
| 867 | K | 46 | Very low | 62.4 | Low | 116 Ų | 116 | 46.7 Ų | 46.7 | 50% | 0.504 | 25% | 0.254 | S | S | . | . | trans | -70 | 138.7 | 172.3 | -66.1 | -176.6 | 176.3 | -174.9 | 0 | 110.8 | A819 C863 C865 | A819-K867 HydrophobicContact CB-CB 3.61Å; A819-K867 HydrophobicContact CB-CD 3.56Å; A819-K867 HydrophobicContact CB-CG 4.23Å; C863-K867 WeakPolarHBondContact CB-O 3.41Å; C863-K867 PolarHBondContact N-O 3.34Å; C865-K867 VanDerWaalsContact C-N 3.33Å; C865-K867 PolarHBondContact O-N 2.86Å | ||
| 868 | W | 54.4 | Low | 62.5 | Low | 100 Ų | 100 | 49 Ų | 49 | 38% | 0.379 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 154.4 | 168.8 | -74.6 | 77.7 | 0 | 0 | 0 | 110.8 | V817 L861 Q862 | V817-W868 WeakPolarHBondContact CG1-O 3.43Å; L861-W868 CarbonylContact O-C 3.56Å; Q862-W868 HydrophobicContact CB-CD2 4.22Å; Q862-W868 HydrophobicContact CB-CZ2 4.43Å; Q862-W868 HydrophobicContact CG-CD2 4.44Å; Q862-W868 HydrophobicContact CG-CG 4.38Å |
| 869 | V | 52.1 | Low | 62.8 | Low | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.048 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 127.2 | 169.1 | -171.4 | 0 | 0 | 0 | 0 | 107.8 | A819 F826 G860 L861 P871 G872 | A819-V869 HydrophobicContact CB-CG2 3.88Å; F826-V869 HydrophobicContact CB-CG1 4.04Å; F826-V869 HydrophobicContact CD1-CB 3.63Å; F826-V869 HydrophobicContact CD1-CG1 3.64Å; F826-V869 HydrophobicContact CD1-CG2 3.93Å; F826-V869 HydrophobicContact CD2-CB 4.47Å; F826-V869 HydrophobicContact CD2-CG2 3.85Å; F826-V869 HydrophobicContact CE1-CB 3.7Å; F826-V869 HydrophobicContact CE1-CG1 4.24Å; F826-V869 HydrophobicContact CE1-CG2 3.9Å; F826-V869 HydrophobicContact CE2-CG2 3.84Å; F826-V869 HydrophobicContact CG-CB 4.03Å; F826-V869 HydrophobicContact CG-CG1 3.83Å; F826-V869 HydrophobicContact CG-CG2 3.89Å; F826-V869 HydrophobicContact CZ-CB 4.17Å; F826-V869 HydrophobicContact CZ-CG2 3.86Å; G860-V869 CarbonylContact C-O 3.51Å; G860-V869 WeakPolarHBondContact CA-O 3.27Å; L861-V869 PolarHBondContact N-O 2.97Å; L861-V869 PolarHBondContact O-N 3.26Å; V869-P871 CarbonylContact O-C 3.53Å; V869-G872 PolarHBondContact O-N 3.27Å |
| 870 | I | 53.5 | Low | 63.5 | Low | 45 Ų | 45 | 51.3 Ų | 51.3 | 23% | 0.231 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -129.4 | 112.7 | -177.5 | -65.2 | 160.4 | 0 | 0 | 0 | 104.9 | F650 F653 | F650-I870 HydrophobicContact CD2-CD1 4.18Å; F650-I870 HydrophobicContact CE1-CG2 3.65Å; F650-I870 HydrophobicContact CE2-CD1 3.5Å; F650-I870 HydrophobicContact CE2-CG1 3.85Å; F650-I870 HydrophobicContact CE2-CG2 4.18Å; F650-I870 HydrophobicContact CZ-CB 4.2Å; F650-I870 HydrophobicContact CZ-CD1 3.87Å; F650-I870 HydrophobicContact CZ-CG1 3.75Å; F650-I870 HydrophobicContact CZ-CG2 3.38Å; F653-I870 HydrophobicContact CB-CG2 4.01Å; F653-I870 HydrophobicContact CD2-CG2 3.79Å; F653-I870 HydrophobicContact CG-CG2 3.8Å |
| 871 | P | 59.2 | Low | 63.7 | Low | 21 Ų | 21 | 59.2 Ų | 59.2 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | S | Bend | cis | -79.5 | 154.3 | 4.2 | 36.8 | -29.6 | 0 | 0 | 0 | 111 | F653 V869 F873 | F653-P871 HydrophobicContact CD1-CB 4.34Å; F653-P871 HydrophobicContact CE1-CB 3.67Å; F653-P871 HydrophobicContact CE1-CG 3.94Å; F653-P871 HydrophobicContact CE2-CB 4.21Å; F653-P871 HydrophobicContact CE2-CG 3.87Å; F653-P871 HydrophobicContact CZ-CB 3.63Å; F653-P871 VanDerWaalsContact CZ-CD 3.42Å; F653-P871 HydrophobicContact CZ-CG 3.36Å; V869-P871 CarbonylContact O-C 3.53Å; P871-F873 HydrophobicContact CB-CD2 3.74Å; P871-F873 HydrophobicContact CB-CE2 3.51Å; P871-F873 HydrophobicContact CG-CD2 3.68Å; P871-F873 HydrophobicContact CG-CE2 3.65Å; P871-F873 PolarHBondContact O-N 2.9Å |
| 872 | G | 68.3 | Low | 63.4 | Low | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 64.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F856 R857 L861 V869 S874 | F856-G872 CarbonylContact C-O 3.03Å; F856-G872 VanDerWaalsContact CA-O 3.23Å; F856-G872 WeakPolarHBondContact CA-O 3.36Å; R857-G872 PolarHBondContact N-O 3.23Å; R857-G872 WeakPolarHBondContact O-CA 3.42Å; R857-G872 PolarHBondContact O-N 2.99Å; L861-G872 WeakPolarHBondContact CD1-O 3.37Å; L861-G872 WeakPolarHBondContact CG-O 3.4Å; V869-G872 PolarHBondContact O-N 3.27Å; G872-S874 PolarHBondContact O-N 3.2Å |
| 873 | F | 76.5 | Confident | 62.9 | Low | 1 Ų | 1 | 65.4 Ų | 65.4 | 0% | 0.004 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 96.1 | 169.2 | -60.6 | -102.8 | 0 | 0 | 0 | 109.5 | F826 V827 P829 M833 L844 F856 W858 P871 | F826-F873 VanDerWaalsContact CA-O 3.32Å; F826-F873 WeakPolarHBondContact CA-O 3.44Å; V827-F873 HydrophobicContact CG2-CB 3.91Å; V827-F873 PolarHBondContact N-O 3.41Å; V827-F873 VanDerWaalsContact N-O 3.12Å; V827-F873 WeakPolarHBondContact O-CB 3.19Å; P829-F873 HydrophobicContact CB-CE1 4.21Å; P829-F873 HydrophobicContact CB-CZ 4.26Å; P829-F873 HydrophobicContact CG-CE1 4.09Å; P829-F873 HydrophobicContact CG-CE2 3.94Å; P829-F873 HydrophobicContact CG-CZ 3.66Å; M833-F873 HydrophobicContact CE-CD1 3.98Å; M833-F873 HydrophobicContact CE-CE1 3.63Å; M833-F873 HydrophobicContact SD-CD1 4Å; M833-F873 HydrophobicContact SD-CE1 4.01Å; L844-F873 HydrophobicContact CD2-CD1 4.5Å; F856-F873 HydrophobicContact CB-CB 4.32Å; F856-F873 HydrophobicContact CB-CD1 3.24Å; F856-F873 HydrophobicContact CB-CE1 3.57Å; F856-F873 HydrophobicContact CB-CG 3.82Å; F856-F873 HydrophobicContact CB-CZ 4.4Å; F856-F873 HydrophobicContact CD2-CD1 4.47Å; F856-F873 AromaticContact CD2-CE1 3.93Å; F856-F873 HydrophobicContact CD2-CE1 3.93Å; F856-F873 HydrophobicContact CD2-CZ 4.49Å; F856-F873 HydrophobicContact CG-CD1 4Å; F856-F873 AromaticContact CG-CE1 3.9Å; F856-F873 HydrophobicContact CG-CE1 3.9Å; W858-F873 HydrophobicContact CD2-CZ 4.12Å; W858-F873 AromaticContact CE2-CZ 3.94Å; W858-F873 HydrophobicContact CE3-CE2 4.21Å; W858-F873 HydrophobicContact CE3-CZ 4.11Å; W858-F873 HydrophobicContact CH2-CE2 4.46Å; W858-F873 AromaticContact CH2-CZ 3.84Å; W858-F873 HydrophobicContact CH2-CZ 3.84Å; W858-F873 AromaticContact CZ2-CZ 3.83Å; W858-F873 HydrophobicContact CZ2-CZ 3.83Å; W858-F873 HydrophobicContact CZ3-CE2 4.15Å; W858-F873 AromaticContact CZ3-CZ 3.96Å; W858-F873 HydrophobicContact CZ3-CZ 3.96Å; P871-F873 HydrophobicContact CB-CD2 3.74Å; P871-F873 HydrophobicContact CB-CE2 3.51Å; P871-F873 HydrophobicContact CG-CD2 3.68Å; P871-F873 HydrophobicContact CG-CE2 3.65Å; P871-F873 PolarHBondContact O-N 2.9Å |
| 874 | S | 77.6 | Confident | 61.6 | Low | 16 Ų | 16 | 71.8 Ų | 71.8 | 11% | 0.112 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 107.6 | -175 | 165.5 | 0 | 0 | 0 | 0 | 111.8 | S824 G854 S855 G872 | S824-S874 VanDerWaalsContact CB-OG 3.23Å; S824-S874 WeakPolarHBondContact CB-OG 3.47Å; G854-S874 WeakPolarHBondContact CA-O 3.36Å; S855-S874 PolarHBondContact N-O 3.16Å; S855-S874 VanDerWaalsContact N-O 3.11Å; S855-S874 PolarHBondContact O-N 3.09Å; G872-S874 PolarHBondContact O-N 3.2Å |
| 875 | I | 78.9 | Confident | 60.4 | Low | 19 Ų | 19 | 74.7 Ų | 74.7 | 10% | 0.097 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 134.5 | 164.2 | -62.1 | 179.8 | 0 | 0 | 0 | 108.9 | S824 N825 V827 L844 L853 V880 | S824-I875 CarbonylContact C-O 3.22Å; S824-I875 WeakPolarHBondContact CA-O 3.27Å; S824-I875 WeakPolarHBondContact CB-O 3.45Å; N825-I875 PolarHBondContact N-O 3.38Å; N825-I875 PolarHBondContact O-N 2.71Å; V827-I875 HydrophobicContact CG1-CD1 4.16Å; V827-I875 HydrophobicContact CG2-CD1 3.91Å; V827-I875 HydrophobicContact CG2-CG1 4.06Å; L844-I875 HydrophobicContact CD1-CG1 3.67Å; L853-I875 HydrophobicContact CB-CG2 4.49Å; I875-V880 HydrophobicContact CG2-CB 4.32Å; I875-V880 HydrophobicContact CG2-CG1 3.68Å; I875-V880 HydrophobicContact CG2-CG2 3.59Å |
| 876 | Q | 75.2 | Confident | 59.4 | Low | 77 Ų | 77 | 78.5 Ų | 78.5 | 36% | 0.36 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 126 | 179.6 | -57.3 | -170.7 | -72.3 | 0 | 0 | 110.3 | L853 C878 K879 | L853-Q876 PolarHBondContact O-N 2.99Å; Q876-C878 PolarHBondContact O-N 2.96Å; Q876-K879 HydrophobicContact CB-CB 4.43Å; Q876-K879 HydrophobicContact CB-CD 4.25Å; Q876-K879 HydrophobicContact CB-CG 4.3Å; Q876-K879 PolarHBondContact O-N 2.98Å; Q876-K879 VanDerWaalsContact OE1-CE 3.22Å |
| 877 | K | 73.3 | Confident | 58.5 | Low | 94 Ų | 94 | 87.3 Ų | 87.3 | 41% | 0.409 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -16.5 | -179.1 | -80.1 | -178.8 | 169.4 | 179.8 | 0 | 114.3 | C821 L823 N825 | C821-K877 PolarHBondContact O-NZ 3.22Å; L823-K877 PolarHBondContact O-N 3.42Å; N825-K877 WeakPolarHBondContact OD1-CE 3.1Å |
| 878 | C | 72.4 | Confident | 57.8 | Low | 111 Ų | 111 | 88.6 Ų | 88.6 | 75% | 0.75 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | 16.2 | 176.4 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | Q876 | Q876-C878 PolarHBondContact O-N 2.96Š|
| 879 | K | 73.2 | Confident | 56.6 | Low | 94 Ų | 94 | 91 Ų | 91 | 41% | 0.409 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -135.8 | -1.9 | -177.8 | -71.4 | -172 | 173.9 | 167.2 | 0 | 115.1 | R852 L853 Q876 | R852-K879 WeakPolarHBondContact O-CD 3.21Å; R852-K879 WeakPolarHBondContact O-CE 3.14Å; R852-K879 PolarHBondContact O-NZ 2.86Å; L853-K879 HydrophobicContact CD2-CB 4.48Å; Q876-K879 HydrophobicContact CB-CB 4.43Å; Q876-K879 HydrophobicContact CB-CD 4.25Å; Q876-K879 HydrophobicContact CB-CG 4.3Å; Q876-K879 PolarHBondContact O-N 2.98Å; Q876-K879 VanDerWaalsContact OE1-CE 3.22Å |
| 880 | V | 69.9 | Low | 55.5 | Low | 43 Ų | 43 | 98.1 Ų | 98.1 | 26% | 0.261 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -137.9 | 140.2 | 172.8 | -65.5 | 0 | 0 | 0 | 0 | 107 | L853 I875 | L853-V880 HydrophobicContact CD1-CG1 4.38Å; L853-V880 HydrophobicContact CD2-CG1 4.03Å; I875-V880 HydrophobicContact CG2-CB 4.32Å; I875-V880 HydrophobicContact CG2-CG1 3.68Å; I875-V880 HydrophobicContact CG2-CG2 3.59Å |
| 881 | D | 67.6 | Low | 54.3 | Low | 167 Ų | 167 | 104.5 Ų | 104.5 | 89% | 0.893 | 53% | 0.534 | S | S | * | . | trans | -75.7 | 135 | 167.8 | -58 | -64.6 | 0 | 0 | 0 | 108.3 | ||||
| 882 | T | 57.6 | Low | 54 | Low | 90 Ų | 90 | 108.7 Ų | 108.7 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | trans | -106.9 | 103.7 | 175.5 | 51.1 | 0 | 0 | 0 | 0 | 108.8 | N825 | N825-T882 WeakPolarHBondContact ND2-CG2 3.14Š| ||
| 883 | E | 48.6 | Very low | 53.3 | Low | 191 Ų | 191 | 114.4 Ų | 114.4 | 89% | 0.893 | 58% | 0.583 | S | S | * | * | trans | -65.4 | 146.3 | 167.4 | -68.7 | -165.9 | 122.8 | 0 | 0 | 110.7 | L885 | E883-L885 PolarHBondContact O-N 3.49Š| ||
| 884 | L | 33.5 | Very low | 52 | Low | 139 Ų | 139 | 120.7 Ų | 120.7 | 73% | 0.728 | 62% | 0.615 | S | S | * | * | trans | -83.4 | 79.6 | -170 | -84.2 | 156.9 | 0 | 0 | 0 | 111.6 | E886 | L884-E886 HydrophobicContact CD2-CB 4.45Å; L884-E886 HydrophobicContact CD2-CG 4.36Å; L884-E886 WeakPolarHBondContact CD2-OE2 3.25Å; L884-E886 PolarHBondContact O-N 3.45Å; L884-E886 VanDerWaalsContact O-N 3.1Å | ||
| 885 | L | 29.1 | Very low | 50.5 | Low | 126 Ų | 126 | 126.9 Ų | 126.9 | 66% | 0.66 | 65% | 0.645 | S | S | * | * | trans | -76.8 | 23.2 | 168 | -129.2 | 157.4 | 0 | 0 | 0 | 112.7 | E883 R887 | E883-L885 PolarHBondContact O-N 3.49Å; L885-R887 PolarHBondContact O-N 2.97Å | ||
| 886 | E | 31.1 | Very low | 48.7 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 70% | 0.696 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | 41.9 | 172 | -62.9 | -172.1 | 138.1 | 0 | 0 | 111.1 | L884 | L884-E886 HydrophobicContact CD2-CB 4.45Å; L884-E886 HydrophobicContact CD2-CG 4.36Å; L884-E886 WeakPolarHBondContact CD2-OE2 3.25Å; L884-E886 PolarHBondContact O-N 3.45Å; L884-E886 VanDerWaalsContact O-N 3.1Å |
| 887 | R | 30.5 | Very low | 47 | Very low | 227 Ų | 227 | 137.4 Ų | 137.4 | 86% | 0.857 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.2 | 5.1 | -175.9 | -105.2 | -174 | 178 | -171.2 | -1.3 | 116 | L885 | L885-R887 PolarHBondContact O-N 2.97Š|
| 888 | Q | 30.8 | Very low | 45.1 | Very low | 142 Ų | 142 | 140.5 Ų | 140.5 | 66% | 0.664 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -132.7 | 26.2 | 178.6 | -63.9 | -171.4 | -83.5 | 0 | 0 | 112.8 | ||
| 889 | L | 30.4 | Very low | 43 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 79% | 0.791 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -132.7 | 9.4 | 178.5 | -71.7 | 172 | 0 | 0 | 0 | 113.3 | ||
| 890 | D | 29.3 | Very low | 40.5 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | -108.6 | 22.6 | 169.2 | -72.2 | -41.7 | 0 | 0 | 0 | 111 | ||||
| 891 | T | 27.2 | Very low | 37.8 | Very low | 179 Ų | 179 | 156.3 Ų | 156.3 | 100% | 1.098 | 79% | 0.789 | S | S | * | * | trans | -138.6 | 0 | 175.4 | 52.8 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 891 of 891 residues in 165.9 ms
(Link to these results)