| 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 | 38.3 | Very low | 37.4 | Very low | 207 Ų | 207 | 99.8 Ų | 99.8 | 100% | 1.02 | 60% | 0.603 | S | S | * | * | 0 | -34.8 | 0 | -81.6 | 172.1 | 180 | 0 | 0 | 111.4 | S3 Q4 | M1-S3 PolarHBondContact O-N 3.08Å; M1-S3 VanDerWaalsContact O-N 3.08Å; M1-Q4 PolarHBondContact O-N 3.28Å | |||
| 2 | E | 28.9 | Very low | 37.6 | Very low | 170 Ų | 170 | 96.2 Ų | 96.2 | 79% | 0.794 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -61.5 | -17.7 | -176.9 | -64.3 | 146.1 | 126.9 | 0 | 0 | 115.7 | Q4 | E2-Q4 PolarHBondContact O-N 3.47Å |
| 3 | S | 37 | Very low | 37.7 | Very low | 102 Ų | 102 | 94.1 Ų | 94.1 | 71% | 0.713 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -76.6 | -14.5 | 179.7 | 53.7 | 0 | 0 | 0 | 0 | 115.2 | M1 | M1-S3 PolarHBondContact O-N 3.08Å; M1-S3 VanDerWaalsContact O-N 3.08Å |
| 4 | Q | 40.3 | Very low | 37.6 | Very low | 157 Ų | 157 | 93.1 Ų | 93.1 | 73% | 0.734 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -89.2 | -33.7 | 177.9 | -77.7 | -177.8 | -31.4 | 0 | 0 | 113 | M1 E2 A7 A8 | M1-Q4 PolarHBondContact O-N 3.28Å; E2-Q4 PolarHBondContact O-N 3.47Å; Q4-A7 PolarHBondContact O-N 3.17Å; Q4-A8 PolarHBondContact O-N 2.97Å |
| 5 | E | 36.5 | Very low | 37.9 | Very low | 148 Ų | 148 | 89.3 Ų | 89.3 | 69% | 0.692 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -67.9 | -38.8 | 174.5 | -71.6 | 179.5 | 126.3 | 0 | 0 | 111.6 | A7 A8 A9 | E5-A7 VanDerWaalsContact C-N 3.28Å; E5-A7 PolarHBondContact O-N 3.33Å; E5-A8 PolarHBondContact O-N 3.33Å; E5-A9 PolarHBondContact O-N 3.39Å |
| 6 | G | 30.6 | Very low | 37.8 | Very low | 44 Ų | 44 | 88.2 Ų | 88.2 | 45% | 0.454 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.5 | -35.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A10 | G6-A10 VanDerWaalsContact O-CB 3.27Å; G6-A10 WeakPolarHBondContact O-CB 3.27Å; G6-A10 PolarHBondContact O-N 3.18Å |
| 7 | A | 38.8 | Very low | 37.8 | Very low | 63 Ų | 63 | 88.2 Ų | 88.2 | 52% | 0.521 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.4 | -38.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q4 E5 A11 | Q4-A7 PolarHBondContact O-N 3.17Å; E5-A7 VanDerWaalsContact C-N 3.28Å; E5-A7 PolarHBondContact O-N 3.33Å; A7-A11 WeakPolarHBondContact O-CB 3.21Å; A7-A11 PolarHBondContact O-N 3.4Å |
| 8 | A | 40.7 | Very low | 38.1 | Very low | 57 Ų | 57 | 88.9 Ų | 88.9 | 47% | 0.471 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.4 | -40.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q4 E5 A12 | Q4-A8 PolarHBondContact O-N 2.97Å; E5-A8 PolarHBondContact O-N 3.33Å; A8-A12 PolarHBondContact O-N 3.3Å; A8-A12 VanDerWaalsContact O-N 3.15Å |
| 9 | A | 38.9 | Very low | 38.7 | Very low | 64 Ų | 64 | 95.7 Ų | 95.7 | 53% | 0.529 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -66.9 | -40.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E5 A12 A13 | E5-A9 PolarHBondContact O-N 3.39Å; A9-A12 PolarHBondContact O-N 3.31Å; A9-A13 PolarHBondContact O-N 3.25Å; A9-A13 VanDerWaalsContact O-N 3.17Å |
| 10 | A | 38.8 | Very low | 39.9 | Very low | 60 Ų | 60 | 99 Ų | 99 | 50% | 0.496 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.2 | -37.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G6 A13 A14 | G6-A10 VanDerWaalsContact O-CB 3.27Å; G6-A10 WeakPolarHBondContact O-CB 3.27Å; G6-A10 PolarHBondContact O-N 3.18Å; A10-A13 PolarHBondContact O-N 3.28Å; A10-A14 PolarHBondContact O-N 2.99Å |
| 11 | A | 42.3 | Very low | 41.9 | Very low | 26 Ų | 26 | 96.5 Ų | 96.5 | 22% | 0.215 | 60% | 0.599 | C | S | . | * | H | α-helix | trans | -63.8 | -40.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A7 A13 A14 A15 L28 | A7-A11 WeakPolarHBondContact O-CB 3.21Å; A7-A11 PolarHBondContact O-N 3.4Å; A11-A13 VanDerWaalsContact C-N 3.27Å; A11-A13 PolarHBondContact O-N 3.25Å; A11-A14 PolarHBondContact O-N 3.37Å; A11-A15 PolarHBondContact O-N 3.01Å; A11-L28 HydrophobicContact CB-CD1 3.92Å; A11-L28 HydrophobicContact CB-CD2 3.7Å; A11-L28 HydrophobicContact CB-CG 4.47Å |
| 12 | A | 40.5 | Very low | 44.3 | Very low | 56 Ų | 56 | 88.7 Ų | 88.7 | 46% | 0.463 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.5 | -31.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | A8 A9 | A8-A12 PolarHBondContact O-N 3.3Å; A8-A12 VanDerWaalsContact O-N 3.15Å; A9-A12 PolarHBondContact O-N 3.31Å |
| 13 | A | 38.3 | Very low | 47.1 | Very low | 69 Ų | 69 | 81.5 Ų | 81.5 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -76.9 | -35.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | A9 A10 A11 A15 A16 | A9-A13 PolarHBondContact O-N 3.25Å; A9-A13 VanDerWaalsContact O-N 3.17Å; A10-A13 PolarHBondContact O-N 3.28Å; A11-A13 VanDerWaalsContact C-N 3.27Å; A11-A13 PolarHBondContact O-N 3.25Å; A13-A15 VanDerWaalsContact C-N 3.29Å; A13-A15 PolarHBondContact O-N 2.95Å; A13-A16 WeakPolarHBondContact O-CB 3.42Å; A13-A16 PolarHBondContact O-N 3.21Å |
| 14 | A | 37 | Very low | 49.5 | Very low | 80 Ų | 80 | 80.2 Ų | 80.2 | 66% | 0.661 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68 | -26.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A10 A11 A16 | A10-A14 PolarHBondContact O-N 2.99Å; A11-A14 PolarHBondContact O-N 3.37Å; A14-A16 PolarHBondContact O-N 3.15Å |
| 15 | A | 41.1 | Very low | 51.6 | Low | 36 Ų | 36 | 74.5 Ų | 74.5 | 30% | 0.298 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | 3.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A11 A13 A17 | A11-A15 PolarHBondContact O-N 3.01Å; A13-A15 VanDerWaalsContact C-N 3.29Å; A13-A15 PolarHBondContact O-N 2.95Å; A15-A17 VanDerWaalsContact C-N 3.29Å; A15-A17 PolarHBondContact O-N 3.28Å |
| 16 | A | 36.5 | Very low | 54 | Low | 72 Ų | 72 | 68.8 Ų | 68.8 | 60% | 0.595 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 11.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | A13 A14 | A13-A16 WeakPolarHBondContact O-CB 3.42Å; A13-A16 PolarHBondContact O-N 3.21Å; A14-A16 PolarHBondContact O-N 3.15Å |
| 17 | A | 38.3 | Very low | 56.6 | Low | 89 Ų | 89 | 75.1 Ų | 75.1 | 74% | 0.736 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | -1.8 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | A15 | A15-A17 VanDerWaalsContact C-N 3.29Å; A15-A17 PolarHBondContact O-N 3.28Å |
| 18 | T | 42.6 | Very low | 58.8 | Low | 100 Ų | 100 | 75.4 Ų | 75.4 | 61% | 0.613 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -138.1 | 93.1 | -172 | 51.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 19 | R | 50.8 | Low | 60.9 | Low | 218 Ų | 218 | 75.9 Ų | 75.9 | 82% | 0.823 | 47% | 0.467 | S | S | * | . | trans | 61.3 | 112.4 | 161.8 | -61.3 | 177.6 | 173.8 | 172.2 | -2.8 | 115.6 | C21 V22 | R19-C21 PolarHBondContact O-N 3.23Å; R19-V22 HydrophobicContact CB-CG2 4.45Å; R19-V22 PolarHBondContact O-N 2.92Å | ||
| 20 | D | 62.6 | Low | 63 | Low | 162 Ų | 162 | 75 Ų | 75 | 87% | 0.866 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -7.3 | -163.3 | -54.4 | -62 | 0 | 0 | 0 | 118.6 | ||
| 21 | C | 81.4 | Confident | 65.2 | Low | 46 Ų | 46 | 77 Ų | 77 | 31% | 0.311 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 7.9 | 178.7 | -57.5 | 0 | 0 | 0 | 0 | 113.9 | R19 D45 R47 Q48 | R19-C21 PolarHBondContact O-N 3.23Å; C21-D45 WeakPolarHBondContact CA-O 3.45Å; C21-D45 WeakPolarHBondContact CB-O 3.38Å; C21-R47 HydrophobicContact CB-CB 4.19Å; C21-R47 HydrophobicContact CB-CG 4.02Å; C21-R47 PolarHBondContact O-N 3.19Å; C21-Q48 PolarHBondContact O-N 2.76Å |
| 22 | V | 87.9 | Confident | 67 | Low | 44 Ų | 44 | 79.6 Ų | 79.6 | 27% | 0.267 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 128.4 | -176.3 | -176.7 | 0 | 0 | 0 | 0 | 110.6 | R19 Q48 F50 | R19-V22 HydrophobicContact CB-CG2 4.45Å; R19-V22 PolarHBondContact O-N 2.92Å; V22-Q48 HydrophobicContact CG1-CB 4.33Å; V22-Q48 HydrophobicContact CG2-CB 4.22Å; V22-Q48 HydrophobicContact CG2-CG 4.38Å; V22-F50 HydrophobicContact CG1-CD2 3.97Å; V22-F50 HydrophobicContact CG1-CE2 3.76Å |
| 23 | L | 87.8 | Confident | 68.9 | Low | 19 Ų | 19 | 77.7 Ų | 77.7 | 10% | 0.099 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 116.2 | 167.5 | -91.3 | 127.8 | 0 | 0 | 0 | 110.2 | F25 V38 R42 T46 Q48 L49 F50 | L23-F25 HydrophobicContact CB-CE2 4.09Å; L23-F25 HydrophobicContact CD2-CE2 3.47Å; L23-F25 VanDerWaalsContact CD2-CE2 3.47Å; L23-F25 HydrophobicContact CD2-CZ 3.58Å; L23-F25 HydrophobicContact CG-CE2 4.39Å; L23-V38 HydrophobicContact CD1-CG1 4.22Å; L23-V38 HydrophobicContact CD2-CG1 4.18Å; L23-V38 HydrophobicContact CD2-CG2 4.42Å; L23-R42 HydrophobicContact CD1-CB 4.4Å; L23-T46 HydrophobicContact CB-CG2 4.27Å; L23-T46 HydrophobicContact CD1-CG2 3.93Å; L23-T46 WeakPolarHBondContact CD1-OG1 3.34Å; L23-Q48 PolarHBondContact N-O 2.98Å; L23-L49 HydrophobicContact CB-CD1 4.08Å; L23-L49 WeakPolarHBondContact O-CA 2.87Å; L23-F50 PolarHBondContact O-N 2.93Å |
| 24 | D | 87.3 | Confident | 70.8 | Confident | 75 Ų | 75 | 78 Ų | 78 | 40% | 0.401 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 114.5 | 177.7 | -169 | -7.2 | 0 | 0 | 0 | 110.1 | S26 F50 | D24-S26 WeakPolarHBondContact OD1-CA 3Å; D24-S26 WeakPolarHBondContact OD1-CB 3.42Å; D24-S26 PolarHBondContact OD1-N 2.95Å; D24-S26 PolarHBondContact OD1-OG 3.08Å; D24-S26 PolarHBondContact OD2-OG 2.95Å; D24-F50 HydrophobicContact CB-CB 4.46Å |
| 25 | F | 85.2 | Confident | 72.7 | Confident | 36 Ų | 36 | 74.2 Ų | 74.2 | 16% | 0.158 | 41% | 0.41 | C | S | . | . | trans | -116.2 | 21.7 | 172.3 | -67.1 | -75.3 | 0 | 0 | 0 | 111.1 | L23 L28 L30 F33 V38 L49 F50 L51 N54 | L23-F25 HydrophobicContact CB-CE2 4.09Å; L23-F25 HydrophobicContact CD2-CE2 3.47Å; L23-F25 VanDerWaalsContact CD2-CE2 3.47Å; L23-F25 HydrophobicContact CD2-CZ 3.58Å; L23-F25 HydrophobicContact CG-CE2 4.39Å; F25-L28 HydrophobicContact CB-CD1 4.07Å; F25-L28 HydrophobicContact CD1-CD1 3.85Å; F25-L28 HydrophobicContact CG-CD1 4.47Å; F25-L30 HydrophobicContact CB-CD1 4.08Å; F25-F33 AromaticContact CD2-CE2 3.73Å; F25-F33 HydrophobicContact CD2-CE2 3.73Å; F25-F33 HydrophobicContact CD2-CZ 4.33Å; F25-F33 AromaticContact CE2-CE2 3.76Å; F25-F33 HydrophobicContact CE2-CE2 3.76Å; F25-F33 HydrophobicContact CE2-CZ 4.2Å; F25-F33 HydrophobicContact CG-CE2 4.3Å; F25-F33 HydrophobicContact CZ-CE2 4.37Å; F25-V38 HydrophobicContact CE2-CG2 4.25Å; F25-V38 HydrophobicContact CZ-CG2 3.88Å; F25-L49 HydrophobicContact CD2-CD1 3.9Å; F25-L49 HydrophobicContact CE2-CD1 4.23Å; F25-F50 CarbonylContact C-O 3.6Å; F25-F50 WeakPolarHBondContact CA-O 3.46Å; F25-F50 PolarHBondContact N-O 3.31Å; F25-L51 HydrophobicContact CB-CD2 3.86Å; F25-L51 HydrophobicContact CD2-CD2 4.34Å; F25-L51 HydrophobicContact CG-CD2 4.44Å; F25-N54 PolarHBondContact O-ND2 2.81Å | ||
| 26 | S | 85.9 | Confident | 74.1 | Confident | 28 Ų | 28 | 78.4 Ų | 78.4 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 147.6 | -177.7 | 68.6 | 0 | 0 | 0 | 0 | 112.9 | D24 L28 N52 | D24-S26 WeakPolarHBondContact OD1-CA 3Å; D24-S26 WeakPolarHBondContact OD1-CB 3.42Å; D24-S26 PolarHBondContact OD1-N 2.95Å; D24-S26 PolarHBondContact OD1-OG 3.08Å; D24-S26 PolarHBondContact OD2-OG 2.95Å; S26-L28 PolarHBondContact O-N 3.43Å; S26-N52 CarbonylContact C-O 3.5Å; S26-N52 VanDerWaalsContact CA-O 3.23Å; S26-N52 WeakPolarHBondContact CA-O 3.48Å; S26-N52 WeakPolarHBondContact CB-OD1 3.46Å |
| 27 | R | 86.4 | Confident | 75.8 | Confident | 178 Ų | 178 | 81.3 Ų | 81.3 | 67% | 0.672 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 9.5 | 172.9 | -58.8 | 173.4 | 178.6 | -178.3 | 1.4 | 116 | S29 N52 Y53 | R27-S29 PolarHBondContact O-N 3.25Å; R27-N52 PolarHBondContact N-O 3.33Å; R27-Y53 WeakPolarHBondContact CA-O 3.46Å; R27-Y53 HydrophobicContact CG-CD2 4.34Å; R27-Y53 HydrophobicContact CG-CG 4.19Å |
| 28 | L | 85.4 | Confident | 77.7 | Confident | 69 Ų | 69 | 77.6 Ų | 77.6 | 36% | 0.361 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -75.6 | 2.1 | 179.7 | -65.2 | -176.4 | 0 | 0 | 0 | 114 | A11 F25 S26 L30 N54 | A11-L28 HydrophobicContact CB-CD1 3.92Å; A11-L28 HydrophobicContact CB-CD2 3.7Å; A11-L28 HydrophobicContact CB-CG 4.47Å; F25-L28 HydrophobicContact CB-CD1 4.07Å; F25-L28 HydrophobicContact CD1-CD1 3.85Å; F25-L28 HydrophobicContact CG-CD1 4.47Å; S26-L28 PolarHBondContact O-N 3.43Å; L28-L30 HydrophobicContact CB-CD1 4.26Å; L28-L30 HydrophobicContact CB-CD2 4.16Å; L28-L30 HydrophobicContact CB-CG 3.81Å; L28-L30 HydrophobicContact CD1-CD1 4.44Å; L28-L30 PolarHBondContact O-N 3.02Å; L28-N54 PolarHBondContact N-OD1 3.4Å |
| 29 | S | 84.9 | Confident | 79.5 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 47% | 0.469 | 39% | 0.394 | S | S | . | . | trans | 56.2 | 31.2 | -177.4 | -61.6 | 0 | 0 | 0 | 0 | 114.1 | R27 N31 N54 | R27-S29 PolarHBondContact O-N 3.25Å; S29-N31 PolarHBondContact O-N 2.79Å; S29-N54 PolarHBondContact N-OD1 3.35Å | ||
| 30 | L | 83.1 | Confident | 80.8 | Confident | 44 Ų | 44 | 71.3 Ų | 71.3 | 23% | 0.23 | 38% | 0.382 | C | S | . | . | trans | -65.1 | 127.9 | -178.9 | -60.4 | 174.5 | 0 | 0 | 0 | 111.3 | F25 L28 N54 R55 L56 | F25-L30 HydrophobicContact CB-CD1 4.08Å; L28-L30 HydrophobicContact CB-CD1 4.26Å; L28-L30 HydrophobicContact CB-CD2 4.16Å; L28-L30 HydrophobicContact CB-CG 3.81Å; L28-L30 HydrophobicContact CD1-CD1 4.44Å; L28-L30 PolarHBondContact O-N 3.02Å; L30-N54 HydrophobicContact CB-CB 4.25Å; L30-N54 PolarHBondContact N-OD1 3.32Å; L30-R55 CarbonylContact O-C 3.58Å; L30-R55 VanDerWaalsContact O-C 3.31Å; L30-R55 WeakPolarHBondContact O-CA 3.46Å; L30-R55 PolarHBondContact O-N 3.18Å; L30-L56 HydrophobicContact CB-CD2 4.09Å; L30-L56 PolarHBondContact O-N 3.44Å | ||
| 31 | N | 83.3 | Confident | 81.6 | Confident | 103 Ų | 103 | 68.9 Ų | 68.9 | 55% | 0.551 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -84.6 | -30 | 170.4 | -60.8 | -41 | 0 | 0 | 0 | 111.6 | S29 | S29-N31 PolarHBondContact O-N 2.79Š|
| 32 | T | 81.3 | Confident | 81.6 | Confident | 81 Ų | 81 | 72.2 Ų | 72.2 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -135.1 | 147.2 | 177.5 | 52.4 | 0 | 0 | 0 | 0 | 109.7 | L56 W58 | T32-L56 VanDerWaalsContact C-CD2 3.45Å; T32-W58 HydrophobicContact CG2-CZ2 4.15Å |
| 33 | F | 80.8 | Confident | 81.4 | Confident | 15 Ų | 15 | 71 Ų | 71 | 7% | 0.066 | 37% | 0.366 | C | S | . | . | trans | -100.4 | 123.7 | 169 | -176.9 | -128.3 | 0 | 0 | 0 | 108.2 | F25 V35 L49 L51 L56 P60 V63 F66 | F25-F33 AromaticContact CD2-CE2 3.73Å; F25-F33 HydrophobicContact CD2-CE2 3.73Å; F25-F33 HydrophobicContact CD2-CZ 4.33Å; F25-F33 AromaticContact CE2-CE2 3.76Å; F25-F33 HydrophobicContact CE2-CE2 3.76Å; F25-F33 HydrophobicContact CE2-CZ 4.2Å; F25-F33 HydrophobicContact CG-CE2 4.3Å; F25-F33 HydrophobicContact CZ-CE2 4.37Å; F33-V35 HydrophobicContact CD1-CG2 3.95Å; F33-V35 HydrophobicContact CE1-CG2 3.62Å; F33-V35 HydrophobicContact CZ-CG2 4.31Å; F33-L49 HydrophobicContact CE1-CD2 4.14Å; F33-L49 HydrophobicContact CZ-CD1 4.19Å; F33-L49 HydrophobicContact CZ-CD2 4.2Å; F33-L51 HydrophobicContact CB-CD2 4.47Å; F33-L51 HydrophobicContact CD1-CD1 4.09Å; F33-L51 HydrophobicContact CD1-CD2 4.38Å; F33-L51 HydrophobicContact CD2-CD2 3.5Å; F33-L51 VanDerWaalsContact CD2-CD2 3.5Å; F33-L51 HydrophobicContact CE1-CD1 4.15Å; F33-L51 HydrophobicContact CE2-CD2 3.7Å; F33-L51 HydrophobicContact CG-CD1 4.34Å; F33-L51 HydrophobicContact CG-CD2 3.89Å; F33-L51 HydrophobicContact CZ-CD1 4.48Å; F33-L51 HydrophobicContact CZ-CD2 4.2Å; F33-L56 HydrophobicContact CB-CD1 4.46Å; F33-L56 HydrophobicContact CB-CD2 4.15Å; F33-P60 HydrophobicContact CD1-CG 4.3Å; F33-P60 WeakPolarHBondContact O-CG 3.45Å; F33-V63 HydrophobicContact CD1-CG2 3.84Å; F33-V63 HydrophobicContact CE1-CG2 3.83Å; F33-F66 AromaticContact CE1-CE2 3.99Å; F33-F66 HydrophobicContact CE1-CE2 3.99Å; F33-F66 HydrophobicContact CE1-CZ 4.45Å; F33-F66 HydrophobicContact CZ-CE2 4.16Å; F33-F66 HydrophobicContact CZ-CZ 4.16Å | ||
| 34 | N | 77.8 | Confident | 81.1 | Confident | 77 Ų | 77 | 76.3 Ų | 76.3 | 41% | 0.412 | 39% | 0.385 | S | S | . | . | trans | -115.7 | 105.8 | 176.4 | -171.8 | 6.8 | 0 | 0 | 0 | 110.1 | N36 N37 | N34-N36 PolarHBondContact O-N 2.92Å; N34-N36 WeakPolarHBondContact OD1-CB 3.49Å; N34-N36 PolarHBondContact OD1-N 2.61Å; N34-N37 PolarHBondContact ND2-OD1 3.36Å; N34-N37 PolarHBondContact O-N 2.97Å | ||
| 35 | V | 75.7 | Confident | 81.1 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -64.5 | -26.5 | -178 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | F33 N37 V38 Q43 P60 S62 V63 L65 F66 | F33-V35 HydrophobicContact CD1-CG2 3.95Å; F33-V35 HydrophobicContact CE1-CG2 3.62Å; F33-V35 HydrophobicContact CZ-CG2 4.31Å; V35-N37 PolarHBondContact O-N 3.3Å; V35-N37 VanDerWaalsContact O-N 3.08Å; V35-V38 WeakPolarHBondContact O-CB 3.23Å; V35-V38 PolarHBondContact O-N 3.49Å; V35-Q43 HydrophobicContact CG1-CG 4.27Å; V35-Q43 PolarHBondContact O-NE2 3.33Å; V35-P60 HydrophobicContact CG2-CG 4.47Å; V35-S62 WeakPolarHBondContact CG2-OG 3.26Å; V35-V63 HydrophobicContact CG2-CG2 4.31Å; V35-L65 HydrophobicContact CG1-CB 4.48Å; V35-L65 HydrophobicContact CG1-CD1 3.95Å; V35-F66 HydrophobicContact CG1-CE2 3.75Å; V35-F66 HydrophobicContact CG1-CZ 3.88Å; V35-F66 HydrophobicContact CG2-CE2 3.99Å |
| 36 | N | 70.8 | Confident | 81.2 | Confident | 124 Ų | 124 | 75.6 Ų | 75.6 | 66% | 0.663 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -64.3 | -15.9 | -179 | -59.1 | 1.9 | 0 | 0 | 0 | 113.5 | N34 V38 | N34-N36 PolarHBondContact O-N 2.92Å; N34-N36 WeakPolarHBondContact OD1-CB 3.49Å; N34-N36 PolarHBondContact OD1-N 2.61Å; N36-V38 VanDerWaalsContact C-N 3.27Å |
| 37 | N | 71.9 | Confident | 81.4 | Confident | 132 Ų | 132 | 80.1 Ų | 80.1 | 71% | 0.706 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -82.2 | -6.1 | 175.4 | -65.7 | 14 | 0 | 0 | 0 | 112.6 | N34 V35 | N34-N37 PolarHBondContact ND2-OD1 3.36Å; N34-N37 PolarHBondContact O-N 2.97Å; V35-N37 PolarHBondContact O-N 3.3Å; V35-N37 VanDerWaalsContact O-N 3.08Å |
| 38 | V | 78.9 | Confident | 81.7 | Confident | 11 Ų | 11 | 75.4 Ų | 75.4 | 7% | 0.067 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -101.8 | 129.8 | 175.1 | -171.5 | 0 | 0 | 0 | 0 | 108.3 | L23 F25 V35 N36 R42 Q43 | L23-V38 HydrophobicContact CD1-CG1 4.22Å; L23-V38 HydrophobicContact CD2-CG1 4.18Å; L23-V38 HydrophobicContact CD2-CG2 4.42Å; F25-V38 HydrophobicContact CE2-CG2 4.25Å; F25-V38 HydrophobicContact CZ-CG2 3.88Å; V35-V38 WeakPolarHBondContact O-CB 3.23Å; V35-V38 PolarHBondContact O-N 3.49Å; N36-V38 VanDerWaalsContact C-N 3.27Å; V38-R42 HydrophobicContact CG1-CB 3.76Å; V38-Q43 HydrophobicContact CB-CG 4.02Å; V38-Q43 HydrophobicContact CG1-CG 3.87Å; V38-Q43 PolarHBondContact O-NE2 3.07Å |
| 39 | S | 80.1 | Confident | 82.1 | Confident | 65 Ų | 65 | 72.1 Ų | 72.1 | 46% | 0.455 | 36% | 0.364 | S | S | . | . | trans | -62.3 | 146.9 | 176.4 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | D41 R42 Q43 | S39-D41 VanDerWaalsContact C-N 3.27Å; S39-D41 PolarHBondContact O-N 3.12Å; S39-R42 PolarHBondContact O-N 2.82Å; S39-R42 VanDerWaalsContact O-N 3.07Å; S39-Q43 WeakPolarHBondContact O-CG 3.46Å; S39-Q43 PolarHBondContact O-N 3Å | ||
| 40 | E | 79.4 | Confident | 82.4 | Confident | 122 Ų | 122 | 71 Ų | 71 | 57% | 0.57 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -56.2 | -39.4 | -177 | -70.2 | -167 | -160.3 | 0 | 0 | 113.1 | R42 Q43 R44 | E40-R42 PolarHBondContact O-N 2.8Å; E40-Q43 WeakPolarHBondContact O-CB 3.05Å; E40-Q43 PolarHBondContact O-N 2.94Å; E40-R44 WeakPolarHBondContact O-CG 3.38Å; E40-R44 PolarHBondContact O-N 3.49Å; E40-R44 IonicContact OE2-NH2 3.08Å; E40-R44 PolarHBondContact OE2-NH2 2.95Å |
| 41 | D | 78.8 | Confident | 82.8 | Confident | 110 Ų | 110 | 68.9 Ų | 68.9 | 59% | 0.588 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.9 | -46.6 | 177.6 | -53.5 | -51.5 | 0 | 0 | 0 | 110.8 | S39 Q43 R44 D45 | S39-D41 VanDerWaalsContact C-N 3.27Å; S39-D41 PolarHBondContact O-N 3.12Å; D41-Q43 VanDerWaalsContact C-N 3.34Å; D41-Q43 PolarHBondContact O-N 3.41Å; D41-R44 PolarHBondContact O-N 3.24Å; D41-R44 VanDerWaalsContact O-N 3.12Å; D41-D45 PolarHBondContact O-N 2.68Å |
| 42 | R | 81.4 | Confident | 83.1 | Confident | 117 Ų | 117 | 65.1 Ų | 65.1 | 44% | 0.442 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.1 | -40.1 | 174.9 | -82.2 | -172.9 | 164.1 | -170.5 | -6 | 112.1 | L23 V38 S39 E40 R44 D45 T46 | L23-R42 HydrophobicContact CD1-CB 4.4Å; V38-R42 HydrophobicContact CG1-CB 3.76Å; S39-R42 PolarHBondContact O-N 2.82Å; S39-R42 VanDerWaalsContact O-N 3.07Å; E40-R42 PolarHBondContact O-N 2.8Å; R42-R44 VanDerWaalsContact C-N 3.25Å; R42-R44 PolarHBondContact O-N 2.93Å; R42-D45 PolarHBondContact O-N 3.21Å; R42-T46 PolarHBondContact O-N 2.96Å; R42-T46 PolarHBondContact O-OG1 2.81Å |
| 43 | Q | 82.9 | Confident | 83.6 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 8% | 0.084 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -59.4 | -38 | 175.5 | -63.5 | 172.6 | 20.6 | 0 | 0 | 111.9 | V35 V38 S39 E40 D41 F66 | V35-Q43 HydrophobicContact CG1-CG 4.27Å; V35-Q43 PolarHBondContact O-NE2 3.33Å; V38-Q43 HydrophobicContact CB-CG 4.02Å; V38-Q43 HydrophobicContact CG1-CG 3.87Å; V38-Q43 PolarHBondContact O-NE2 3.07Å; S39-Q43 WeakPolarHBondContact O-CG 3.46Å; S39-Q43 PolarHBondContact O-N 3Å; E40-Q43 WeakPolarHBondContact O-CB 3.05Å; E40-Q43 PolarHBondContact O-N 2.94Å; D41-Q43 VanDerWaalsContact C-N 3.34Å; D41-Q43 PolarHBondContact O-N 3.41Å; Q43-F66 HydrophobicContact CB-CD1 4.11Å; Q43-F66 HydrophobicContact CB-CE1 4.05Å; Q43-F66 HydrophobicContact CG-CD1 4.47Å; Q43-F66 HydrophobicContact CG-CE1 3.93Å; Q43-F66 HydrophobicContact CG-CZ 4.28Å; Q43-F66 WeakPolarHBondContact O-CD1 3.04Å |
| 44 | R | 82.3 | Confident | 84.1 | Confident | 130 Ų | 130 | 66.5 Ų | 66.5 | 49% | 0.491 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -73.6 | -37.3 | 177.8 | -66.1 | 171.2 | -165.6 | -166.6 | 9.9 | 112.5 | E40 D41 R42 N68 | E40-R44 WeakPolarHBondContact O-CG 3.38Å; E40-R44 PolarHBondContact O-N 3.49Å; E40-R44 IonicContact OE2-NH2 3.08Å; E40-R44 PolarHBondContact OE2-NH2 2.95Å; D41-R44 PolarHBondContact O-N 3.24Å; D41-R44 VanDerWaalsContact O-N 3.12Å; R42-R44 VanDerWaalsContact C-N 3.25Å; R42-R44 PolarHBondContact O-N 2.93Å; R44-N68 WeakPolarHBondContact O-CB 3.3Å; R44-N68 PolarHBondContact O-ND2 3.45Å |
| 45 | D | 86.3 | Confident | 84.7 | Confident | 95 Ų | 95 | 71 Ų | 71 | 51% | 0.508 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -81.9 | -16.5 | -178.6 | -67.5 | -24.8 | 0 | 0 | 0 | 113.6 | C21 D41 R42 R47 | C21-D45 WeakPolarHBondContact CA-O 3.45Å; C21-D45 WeakPolarHBondContact CB-O 3.38Å; D41-D45 PolarHBondContact O-N 2.68Å; R42-D45 PolarHBondContact O-N 3.21Å; D45-R47 PolarHBondContact O-N 2.87Å |
| 46 | T | 87.5 | Confident | 85.3 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | trans | -61.1 | 123.7 | 178.4 | -47.7 | 0 | 0 | 0 | 0 | 111.6 | L23 R42 Q48 L49 F66 N68 L69 | L23-T46 HydrophobicContact CB-CG2 4.27Å; L23-T46 HydrophobicContact CD1-CG2 3.93Å; L23-T46 WeakPolarHBondContact CD1-OG1 3.34Å; R42-T46 PolarHBondContact O-N 2.96Å; R42-T46 PolarHBondContact O-OG1 2.81Å; T46-Q48 WeakPolarHBondContact CG2-O 3.43Å; T46-L49 HydrophobicContact CG2-CB 4.44Å; T46-F66 HydrophobicContact CG2-CD1 4.04Å; T46-F66 HydrophobicContact CG2-CE1 4.41Å; T46-F66 WeakPolarHBondContact OG1-CD1 3.12Å; T46-N68 CarbonylContact O-C 3.48Å; T46-N68 VanDerWaalsContact O-C 3.31Å; T46-L69 HydrophobicContact CG2-CD1 3.81Å; T46-L69 PolarHBondContact O-N 2.92Å | ||
| 47 | R | 90.9 | Very high | 86.1 | Confident | 123 Ų | 123 | 67.1 Ų | 67.1 | 46% | 0.464 | 31% | 0.311 | S | S | . | . | trans | -112.3 | -25.2 | 167.9 | -59.2 | -173.8 | -166.8 | -159.9 | 9.4 | 113.3 | C21 D45 E70 F71 | C21-R47 HydrophobicContact CB-CB 4.19Å; C21-R47 HydrophobicContact CB-CG 4.02Å; C21-R47 PolarHBondContact O-N 3.19Å; D45-R47 PolarHBondContact O-N 2.87Å; R47-E70 IonicContact NH1-OE1 2.68Å; R47-E70 PolarHBondContact NH1-OE1 3.4Å; R47-E70 PolarHBondContact O-N 3Å; R47-F71 PolarHBondContact O-N 3.43Å | ||
| 48 | Q | 92.8 | Very high | 86.8 | Confident | 79 Ų | 79 | 68 Ų | 68 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 126.4 | 179.3 | -49.2 | -171.8 | -5.2 | 0 | 0 | 109.9 | C21 V22 L23 T46 F50 F71 | C21-Q48 PolarHBondContact O-N 2.76Å; V22-Q48 HydrophobicContact CG1-CB 4.33Å; V22-Q48 HydrophobicContact CG2-CB 4.22Å; V22-Q48 HydrophobicContact CG2-CG 4.38Å; L23-Q48 PolarHBondContact N-O 2.98Å; T46-Q48 WeakPolarHBondContact CG2-O 3.43Å; Q48-F50 HydrophobicContact CB-CE2 3.85Å; Q48-F50 HydrophobicContact CB-CZ 4.5Å; Q48-F71 WeakPolarHBondContact CA-O 3.35Å; Q48-F71 HydrophobicContact CB-CB 4.25Å; Q48-F71 HydrophobicContact CB-CD1 4.42Å; Q48-F71 HydrophobicContact CG-CB 4.05Å |
| 49 | L | 92.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 115.7 | 179.2 | 178.8 | 58.5 | 0 | 0 | 0 | 109.7 | L23 F25 F33 T46 L51 V63 F66 L69 F71 L72 D73 | L23-L49 HydrophobicContact CB-CD1 4.08Å; L23-L49 WeakPolarHBondContact O-CA 2.87Å; F25-L49 HydrophobicContact CD2-CD1 3.9Å; F25-L49 HydrophobicContact CE2-CD1 4.23Å; F33-L49 HydrophobicContact CE1-CD2 4.14Å; F33-L49 HydrophobicContact CZ-CD1 4.19Å; F33-L49 HydrophobicContact CZ-CD2 4.2Å; T46-L49 HydrophobicContact CG2-CB 4.44Å; L49-L51 HydrophobicContact CD1-CD1 4.5Å; L49-L51 HydrophobicContact CD1-CG 4.24Å; L49-L51 HydrophobicContact CD2-CD1 3.96Å; L49-L51 HydrophobicContact CG-CD1 4.03Å; L49-L51 HydrophobicContact CG-CG 4.13Å; L49-V63 HydrophobicContact CD2-CG1 4.37Å; L49-F66 HydrophobicContact CD2-CD2 4.16Å; L49-F66 HydrophobicContact CD2-CE2 4.08Å; L49-F66 HydrophobicContact CD2-CZ 4.48Å; L49-L69 HydrophobicContact CB-CD1 3.56Å; L49-L69 HydrophobicContact CB-CD2 4.23Å; L49-F71 PolarHBondContact N-O 3.29Å; L49-L72 HydrophobicContact CB-CD1 4.03Å; L49-L72 HydrophobicContact CD2-CD1 3.95Å; L49-L72 HydrophobicContact CG-CD1 3.98Å; L49-D73 PolarHBondContact O-N 3.02Å |
| 50 | F | 92.6 | Very high | 87.5 | Confident | 43 Ų | 43 | 65.8 Ų | 65.8 | 19% | 0.189 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 119.1 | 176.1 | -59.6 | -93.5 | 0 | 0 | 0 | 109.5 | V22 L23 D24 F25 Q48 F71 D73 | V22-F50 HydrophobicContact CG1-CD2 3.97Å; V22-F50 HydrophobicContact CG1-CE2 3.76Å; L23-F50 PolarHBondContact O-N 2.93Å; D24-F50 HydrophobicContact CB-CB 4.46Å; F25-F50 CarbonylContact C-O 3.6Å; F25-F50 WeakPolarHBondContact CA-O 3.46Å; F25-F50 PolarHBondContact N-O 3.31Å; Q48-F50 HydrophobicContact CB-CE2 3.85Å; Q48-F50 HydrophobicContact CB-CZ 4.5Å; F50-F71 AromaticContact CD1-CE1 3.88Å; F50-F71 HydrophobicContact CD1-CE1 3.88Å; F50-F71 HydrophobicContact CE1-CD1 4.1Å; F50-F71 AromaticContact CE1-CE1 3.28Å; F50-F71 HydrophobicContact CE1-CE1 3.28Å; F50-F71 AromaticContact CE1-CZ 3.87Å; F50-F71 HydrophobicContact CE1-CZ 3.87Å; F50-F71 HydrophobicContact CE2-CE1 4.48Å; F50-F71 HydrophobicContact CZ-CD1 4.01Å; F50-F71 AromaticContact CZ-CE1 3.63Å; F50-F71 HydrophobicContact CZ-CE1 3.63Å; F50-F71 HydrophobicContact CZ-CZ 4.31Å; F50-D73 HydrophobicContact CD1-CB 4.02Å |
| 51 | L | 90.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -124.1 | 14.5 | 178.6 | -73.7 | 165.9 | 0 | 0 | 0 | 111.1 | F25 F33 L49 N54 L56 L59 L72 D73 I74 N77 | F25-L51 HydrophobicContact CB-CD2 3.86Å; F25-L51 HydrophobicContact CD2-CD2 4.34Å; F25-L51 HydrophobicContact CG-CD2 4.44Å; F33-L51 HydrophobicContact CB-CD2 4.47Å; F33-L51 HydrophobicContact CD1-CD1 4.09Å; F33-L51 HydrophobicContact CD1-CD2 4.38Å; F33-L51 HydrophobicContact CD2-CD2 3.5Å; F33-L51 VanDerWaalsContact CD2-CD2 3.5Å; F33-L51 HydrophobicContact CE1-CD1 4.15Å; F33-L51 HydrophobicContact CE2-CD2 3.7Å; F33-L51 HydrophobicContact CG-CD1 4.34Å; F33-L51 HydrophobicContact CG-CD2 3.89Å; F33-L51 HydrophobicContact CZ-CD1 4.48Å; F33-L51 HydrophobicContact CZ-CD2 4.2Å; L49-L51 HydrophobicContact CD1-CD1 4.5Å; L49-L51 HydrophobicContact CD1-CG 4.24Å; L49-L51 HydrophobicContact CD2-CD1 3.96Å; L49-L51 HydrophobicContact CG-CD1 4.03Å; L49-L51 HydrophobicContact CG-CG 4.13Å; L51-N54 PolarHBondContact O-ND2 2.85Å; L51-L56 HydrophobicContact CB-CD1 4.17Å; L51-L56 HydrophobicContact CD2-CD1 4.29Å; L51-L59 HydrophobicContact CD1-CD1 4.34Å; L51-L72 HydrophobicContact CD1-CD1 4.35Å; L51-D73 WeakPolarHBondContact CA-O 3.49Å; L51-D73 PolarHBondContact N-O 3.25Å; L51-I74 HydrophobicContact CB-CG2 4.13Å; L51-I74 HydrophobicContact CD1-CG2 4.07Å; L51-N77 PolarHBondContact O-ND2 3.37Å | ||
| 52 | N | 91.1 | Very high | 88.1 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | trans | -74.4 | 154.5 | -171.2 | 61.1 | -9 | 0 | 0 | 0 | 113.5 | S26 R27 N54 D73 S75 | S26-N52 CarbonylContact C-O 3.5Å; S26-N52 VanDerWaalsContact CA-O 3.23Å; S26-N52 WeakPolarHBondContact CA-O 3.48Å; S26-N52 WeakPolarHBondContact CB-OD1 3.46Å; R27-N52 PolarHBondContact N-O 3.33Å; N52-N54 PolarHBondContact O-N 3.49Å; N52-D73 WeakPolarHBondContact CB-OD2 3.42Å; N52-D73 VanDerWaalsContact CG-OD2 3.28Å; N52-D73 PolarHBondContact N-O 3.27Å; N52-D73 PolarHBondContact ND2-OD2 3.01Å; N52-S75 CarbonylContact C-O 3.46Å; N52-S75 WeakPolarHBondContact CA-O 3.44Å; N52-S75 WeakPolarHBondContact CB-O 3.29Å | ||
| 53 | Y | 90.9 | Very high | 88.3 | Confident | 114 Ų | 114 | 54.3 Ų | 54.3 | 45% | 0.447 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 58.8 | 42 | -176.3 | -59.8 | -86 | 0 | 0 | 0 | 114 | R27 S75 N76 | R27-Y53 WeakPolarHBondContact CA-O 3.46Å; R27-Y53 HydrophobicContact CG-CD2 4.34Å; R27-Y53 HydrophobicContact CG-CG 4.19Å; Y53-S75 PolarHBondContact N-O 3.02Å; Y53-N76 VanDerWaalsContact CA-O 3.26Å; Y53-N76 WeakPolarHBondContact CA-O 3.44Å; Y53-N76 HydrophobicContact CD1-CB 3.66Å; Y53-N76 HydrophobicContact CE1-CB 3.92Å; Y53-N76 WeakPolarHBondContact CE1-ND2 3.4Å; Y53-N76 HydrophobicContact CG-CB 4.02Å; Y53-N76 VanDerWaalsContact CZ-ND2 3.26Å; Y53-N76 PolarHBondContact N-O 3.3Å |
| 54 | N | 90.8 | Very high | 88.5 | Confident | 11 Ų | 11 | 54 Ų | 54 | 6% | 0.059 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -112.1 | -167.3 | 173 | -77 | -61.8 | 0 | 0 | 0 | 110.5 | F25 L28 S29 L30 L51 N52 L56 N76 N77 | F25-N54 PolarHBondContact O-ND2 2.81Å; L28-N54 PolarHBondContact N-OD1 3.4Å; S29-N54 PolarHBondContact N-OD1 3.35Å; L30-N54 HydrophobicContact CB-CB 4.25Å; L30-N54 PolarHBondContact N-OD1 3.32Å; L51-N54 PolarHBondContact O-ND2 2.85Å; N52-N54 PolarHBondContact O-N 3.49Å; N54-L56 HydrophobicContact CB-CD1 4.48Å; N54-L56 HydrophobicContact CB-CG 4.06Å; N54-N76 PolarHBondContact N-O 2.89Å; N54-N77 VanDerWaalsContact CA-OD1 3.3Å; N54-N77 WeakPolarHBondContact CA-OD1 3.31Å; N54-N77 WeakPolarHBondContact CB-OD1 3.29Å; N54-N77 PolarHBondContact N-OD1 3Å; N54-N77 PolarHBondContact O-OD1 2.87Å |
| 55 | R | 90.4 | Very high | 88.7 | Confident | 170 Ų | 170 | 50.3 Ų | 50.3 | 64% | 0.642 | 24% | 0.238 | S | C | * | . | trans | -118.9 | 26.5 | 179.6 | -62.1 | -177.7 | -178.9 | 178 | 2 | 111.7 | L30 S57 N77 | L30-R55 CarbonylContact O-C 3.58Å; L30-R55 VanDerWaalsContact O-C 3.31Å; L30-R55 WeakPolarHBondContact O-CA 3.46Å; L30-R55 PolarHBondContact O-N 3.18Å; R55-S57 PolarHBondContact O-N 2.82Å; R55-N77 PolarHBondContact N-OD1 3.03Å | ||
| 56 | L | 88.8 | Confident | 88.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -64.5 | 123.4 | -176.1 | -57.6 | 175.3 | 0 | 0 | 0 | 110.5 | L30 T32 F33 L51 N54 N77 G78 L79 | L30-L56 HydrophobicContact CB-CD2 4.09Å; L30-L56 PolarHBondContact O-N 3.44Å; T32-L56 VanDerWaalsContact C-CD2 3.45Å; F33-L56 HydrophobicContact CB-CD1 4.46Å; F33-L56 HydrophobicContact CB-CD2 4.15Å; L51-L56 HydrophobicContact CB-CD1 4.17Å; L51-L56 HydrophobicContact CD2-CD1 4.29Å; N54-L56 HydrophobicContact CB-CD1 4.48Å; N54-L56 HydrophobicContact CB-CG 4.06Å; L56-N77 HydrophobicContact CB-CB 4.36Å; L56-N77 WeakPolarHBondContact CB-OD1 3.43Å; L56-N77 WeakPolarHBondContact CG-OD1 3.49Å; L56-N77 PolarHBondContact N-OD1 2.83Å; L56-G78 CarbonylContact O-C 3.07Å; L56-G78 VanDerWaalsContact O-CA 3.23Å; L56-G78 WeakPolarHBondContact O-CA 3.23Å; L56-G78 PolarHBondContact O-N 3.24Å; L56-L79 HydrophobicContact CB-CD2 3.92Å; L56-L79 PolarHBondContact O-N 3.02Å; L56-L79 VanDerWaalsContact O-N 3.16Å | ||
| 57 | S | 87.8 | Confident | 88.7 | Confident | 44 Ų | 44 | 52 Ų | 52 | 31% | 0.308 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -87.4 | -30.9 | 174.6 | 41.8 | 0 | 0 | 0 | 0 | 113.1 | R55 L79 T80 | R55-S57 PolarHBondContact O-N 2.82Å; S57-L79 WeakPolarHBondContact O-CA 3.45Å; S57-T80 PolarHBondContact O-N 3.27Å |
| 58 | W | 87.1 | Confident | 88.6 | Confident | 149 Ų | 149 | 48.7 Ų | 48.7 | 56% | 0.564 | 23% | 0.229 | S | C | * | . | trans | -143.1 | 162.3 | 172.1 | 64.4 | 83.7 | 0 | 0 | 0 | 110 | T32 L79 | T32-W58 HydrophobicContact CG2-CZ2 4.15Å; W58-L79 VanDerWaalsContact C-CD2 3.41Å | ||
| 59 | L | 86.5 | Confident | 88.6 | Confident | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | trans | -107.1 | 129.6 | 172.5 | -168.4 | 135 | 0 | 0 | 0 | 107.8 | L51 V63 I74 L79 C83 | L51-L59 HydrophobicContact CD1-CD1 4.34Å; L59-V63 HydrophobicContact CD2-CB 3.63Å; L59-V63 HydrophobicContact CD2-CG1 4.03Å; L59-V63 HydrophobicContact CD2-CG2 3.45Å; L59-V63 VanDerWaalsContact CD2-CG2 3.45Å; L59-V63 HydrophobicContact CG-CG2 3.84Å; L59-I74 HydrophobicContact CD1-CD1 4.36Å; L59-I74 HydrophobicContact CD1-CG2 3.55Å; L59-L79 HydrophobicContact CB-CD2 4.41Å; L59-C83 WeakPolarHBondContact CD2-SG 3.28Å; L59-C83 WeakPolarHBondContact O-CB 3.5Å | ||
| 60 | P | 86.1 | Confident | 88.7 | Confident | 24 Ų | 24 | 48 Ų | 48 | 16% | 0.156 | 23% | 0.226 | C | C | . | . | trans | -76.6 | 148.2 | -175 | 33 | -37.9 | 0 | 0 | 0 | 111.4 | F33 V35 S62 V63 | F33-P60 HydrophobicContact CD1-CG 4.3Å; F33-P60 WeakPolarHBondContact O-CG 3.45Å; V35-P60 HydrophobicContact CG2-CG 4.47Å; P60-S62 WeakPolarHBondContact CB-OG 3.44Å; P60-S62 PolarHBondContact O-N 3.5Å; P60-V63 HydrophobicContact CG-CG2 4.15Å; P60-V63 WeakPolarHBondContact O-CG2 3.42Å; P60-V63 PolarHBondContact O-N 2.74Å | ||
| 61 | S | 85.4 | Confident | 88.8 | Confident | 71 Ų | 71 | 48 Ų | 48 | 50% | 0.497 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -60.1 | -16.8 | 176.7 | -54.4 | 0 | 0 | 0 | 0 | 113.9 | V63 S64 | S61-V63 PolarHBondContact O-N 2.98Å; S61-S64 WeakPolarHBondContact O-CB 3.49Å; S61-S64 PolarHBondContact O-N 3.2Å; S61-S64 VanDerWaalsContact O-N 3.13Å; S61-S64 PolarHBondContact O-OG 2.99Å |
| 62 | S | 85.8 | Confident | 89 | Confident | 37 Ų | 37 | 48 Ų | 48 | 26% | 0.259 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -66.4 | -10.2 | 172.2 | 50.2 | 0 | 0 | 0 | 0 | 114.2 | V35 P60 S64 L65 | V35-S62 WeakPolarHBondContact CG2-OG 3.26Å; P60-S62 WeakPolarHBondContact CB-OG 3.44Å; P60-S62 PolarHBondContact O-N 3.5Å; S62-S64 PolarHBondContact O-N 2.76Å; S62-S64 VanDerWaalsContact O-N 3.16Å; S62-L65 VanDerWaalsContact O-CB 3.3Å; S62-L65 WeakPolarHBondContact O-CB 2.99Å; S62-L65 VanDerWaalsContact O-CG 3.26Å; S62-L65 WeakPolarHBondContact O-CG 3.35Å; S62-L65 PolarHBondContact O-N 3.03Å |
| 63 | V | 86.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -62.5 | -17.8 | 167.5 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | F33 V35 L49 L59 P60 S61 L65 F66 L89 | F33-V63 HydrophobicContact CD1-CG2 3.84Å; F33-V63 HydrophobicContact CE1-CG2 3.83Å; V35-V63 HydrophobicContact CG2-CG2 4.31Å; L49-V63 HydrophobicContact CD2-CG1 4.37Å; L59-V63 HydrophobicContact CD2-CB 3.63Å; L59-V63 HydrophobicContact CD2-CG1 4.03Å; L59-V63 HydrophobicContact CD2-CG2 3.45Å; L59-V63 VanDerWaalsContact CD2-CG2 3.45Å; L59-V63 HydrophobicContact CG-CG2 3.84Å; P60-V63 HydrophobicContact CG-CG2 4.15Å; P60-V63 WeakPolarHBondContact O-CG2 3.42Å; P60-V63 PolarHBondContact O-N 2.74Å; S61-V63 PolarHBondContact O-N 2.98Å; V63-L65 PolarHBondContact O-N 2.98Å; V63-L65 VanDerWaalsContact O-N 3.12Å; V63-F66 HydrophobicContact CB-CD2 4.49Å; V63-F66 HydrophobicContact CG1-CD2 4.07Å; V63-F66 WeakPolarHBondContact O-CD2 3.38Å; V63-F66 PolarHBondContact O-N 3.44Å; V63-L89 HydrophobicContact CG1-CD1 4.37Å |
| 64 | S | 85.6 | Confident | 89.3 | Confident | 11 Ų | 11 | 42 Ų | 42 | 8% | 0.077 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -61.9 | -11.7 | 168.7 | 61.8 | 0 | 0 | 0 | 0 | 115.4 | S61 S62 F66 Y67 G85 | S61-S64 WeakPolarHBondContact O-CB 3.49Å; S61-S64 PolarHBondContact O-N 3.2Å; S61-S64 VanDerWaalsContact O-N 3.13Å; S61-S64 PolarHBondContact O-OG 2.99Å; S62-S64 PolarHBondContact O-N 2.76Å; S62-S64 VanDerWaalsContact O-N 3.16Å; S64-F66 VanDerWaalsContact C-N 3.29Å; S64-Y67 WeakPolarHBondContact O-CE1 3.19Å; S64-G85 WeakPolarHBondContact CB-O 3.49Å |
| 65 | L | 86.9 | Confident | 89.5 | Confident | 54 Ų | 54 | 41.9 Ų | 41.9 | 28% | 0.283 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -73.7 | -17.7 | 174.8 | -63.3 | 172.3 | 0 | 0 | 0 | 113.2 | V35 S62 V63 Y67 | V35-L65 HydrophobicContact CG1-CB 4.48Å; V35-L65 HydrophobicContact CG1-CD1 3.95Å; S62-L65 VanDerWaalsContact O-CB 3.3Å; S62-L65 WeakPolarHBondContact O-CB 2.99Å; S62-L65 VanDerWaalsContact O-CG 3.26Å; S62-L65 WeakPolarHBondContact O-CG 3.35Å; S62-L65 PolarHBondContact O-N 3.03Å; V63-L65 PolarHBondContact O-N 2.98Å; V63-L65 VanDerWaalsContact O-N 3.12Å; L65-Y67 WeakPolarHBondContact O-CD2 3.45Å; L65-Y67 VanDerWaalsContact O-CE2 3.3Å; L65-Y67 WeakPolarHBondContact O-CE2 3.3Å; L65-Y67 PolarHBondContact O-N 2.82Å |
| 66 | F | 87.9 | Confident | 89.6 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -82.5 | 62.9 | 176.3 | -60.8 | -79 | 0 | 0 | 0 | 111 | F33 V35 Q43 T46 L49 V63 S64 N68 L69 L89 | F33-F66 AromaticContact CE1-CE2 3.99Å; F33-F66 HydrophobicContact CE1-CE2 3.99Å; F33-F66 HydrophobicContact CE1-CZ 4.45Å; F33-F66 HydrophobicContact CZ-CE2 4.16Å; F33-F66 HydrophobicContact CZ-CZ 4.16Å; V35-F66 HydrophobicContact CG1-CE2 3.75Å; V35-F66 HydrophobicContact CG1-CZ 3.88Å; V35-F66 HydrophobicContact CG2-CE2 3.99Å; Q43-F66 HydrophobicContact CB-CD1 4.11Å; Q43-F66 HydrophobicContact CB-CE1 4.05Å; Q43-F66 HydrophobicContact CG-CD1 4.47Å; Q43-F66 HydrophobicContact CG-CE1 3.93Å; Q43-F66 HydrophobicContact CG-CZ 4.28Å; Q43-F66 WeakPolarHBondContact O-CD1 3.04Å; T46-F66 HydrophobicContact CG2-CD1 4.04Å; T46-F66 HydrophobicContact CG2-CE1 4.41Å; T46-F66 WeakPolarHBondContact OG1-CD1 3.12Å; L49-F66 HydrophobicContact CD2-CD2 4.16Å; L49-F66 HydrophobicContact CD2-CE2 4.08Å; L49-F66 HydrophobicContact CD2-CZ 4.48Å; V63-F66 HydrophobicContact CB-CD2 4.49Å; V63-F66 HydrophobicContact CG1-CD2 4.07Å; V63-F66 WeakPolarHBondContact O-CD2 3.38Å; V63-F66 PolarHBondContact O-N 3.44Å; S64-F66 VanDerWaalsContact C-N 3.29Å; F66-N68 PolarHBondContact O-N 2.87Å; F66-L69 HydrophobicContact CB-CB 4.05Å; F66-L69 HydrophobicContact CB-CD1 4.44Å; F66-L69 WeakPolarHBondContact O-CB 3.03Å; F66-L69 PolarHBondContact O-N 2.8Å; F66-L89 WeakPolarHBondContact O-CD2 3.4Å | ||
| 67 | Y | 85.5 | Confident | 89.8 | Confident | 132 Ų | 132 | 36.4 Ų | 36.4 | 52% | 0.518 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -22.7 | -171.8 | -56.8 | -77.7 | 0 | 0 | 0 | 115.3 | S64 L65 | S64-Y67 WeakPolarHBondContact O-CE1 3.19Å; L65-Y67 WeakPolarHBondContact O-CD2 3.45Å; L65-Y67 VanDerWaalsContact O-CE2 3.3Å; L65-Y67 WeakPolarHBondContact O-CE2 3.3Å; L65-Y67 PolarHBondContact O-N 2.82Å |
| 68 | N | 89.6 | Confident | 89.9 | Confident | 52 Ų | 52 | 35.1 Ų | 35.1 | 28% | 0.278 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 10.2 | 178.8 | -71.9 | -40.7 | 0 | 0 | 0 | 113.9 | R44 T46 F66 E70 K91 | R44-N68 WeakPolarHBondContact O-CB 3.3Å; R44-N68 PolarHBondContact O-ND2 3.45Å; T46-N68 CarbonylContact O-C 3.48Å; T46-N68 VanDerWaalsContact O-C 3.31Å; F66-N68 PolarHBondContact O-N 2.87Å; N68-E70 PolarHBondContact O-N 3.16Å; N68-K91 PolarHBondContact OD1-NZ 2.58Å |
| 69 | L | 92.4 | Very high | 90.2 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | trans | -66.9 | 118.5 | -177.9 | -159.3 | 73.2 | 0 | 0 | 0 | 111.9 | T46 L49 F66 F71 L72 L89 K91 L92 | T46-L69 HydrophobicContact CG2-CD1 3.81Å; T46-L69 PolarHBondContact O-N 2.92Å; L49-L69 HydrophobicContact CB-CD1 3.56Å; L49-L69 HydrophobicContact CB-CD2 4.23Å; F66-L69 HydrophobicContact CB-CB 4.05Å; F66-L69 HydrophobicContact CB-CD1 4.44Å; F66-L69 WeakPolarHBondContact O-CB 3.03Å; F66-L69 PolarHBondContact O-N 2.8Å; L69-F71 WeakPolarHBondContact CD1-O 3.08Å; L69-L72 HydrophobicContact CD2-CB 3.9Å; L69-L72 HydrophobicContact CD2-CD1 4.23Å; L69-L72 HydrophobicContact CD2-CD2 4.31Å; L69-L72 HydrophobicContact CD2-CG 4.37Å; L69-L89 HydrophobicContact CD2-CD1 4.01Å; L69-K91 CarbonylContact O-C 3.3Å; L69-K91 VanDerWaalsContact O-C 3.27Å; L69-L92 HydrophobicContact CD2-CD1 4.2Å; L69-L92 HydrophobicContact CG-CD1 4.25Å; L69-L92 VanDerWaalsContact O-CA 3.28Å; L69-L92 WeakPolarHBondContact O-CA 3.32Å; L69-L92 PolarHBondContact O-N 3.26Å; L69-L92 VanDerWaalsContact O-N 3.17Å | ||
| 70 | E | 94.2 | Very high | 90.4 | Very high | 64 Ų | 64 | 31.6 Ų | 31.6 | 30% | 0.299 | 17% | 0.174 | S | C | . | . | trans | -100.8 | -29.4 | 176.2 | -66.6 | 174.7 | -156.2 | 0 | 0 | 111.3 | R47 N68 K93 T94 | R47-E70 IonicContact NH1-OE1 2.68Å; R47-E70 PolarHBondContact NH1-OE1 3.4Å; R47-E70 PolarHBondContact O-N 3Å; N68-E70 PolarHBondContact O-N 3.16Å; E70-K93 HydrophobicContact CB-CD 4.49Å; E70-K93 PolarHBondContact O-N 3.02Å; E70-T94 PolarHBondContact O-N 3.27Å | ||
| 71 | F | 95 | Very high | 90.7 | Very high | 43 Ų | 43 | 32.4 Ų | 32.4 | 19% | 0.189 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 129.8 | -176.5 | -177.7 | -78.6 | 0 | 0 | 0 | 111.8 | R47 Q48 L49 F50 L69 D73 T94 L96 | R47-F71 PolarHBondContact O-N 3.43Å; Q48-F71 WeakPolarHBondContact CA-O 3.35Å; Q48-F71 HydrophobicContact CB-CB 4.25Å; Q48-F71 HydrophobicContact CB-CD1 4.42Å; Q48-F71 HydrophobicContact CG-CB 4.05Å; L49-F71 PolarHBondContact N-O 3.29Å; F50-F71 AromaticContact CD1-CE1 3.88Å; F50-F71 HydrophobicContact CD1-CE1 3.88Å; F50-F71 HydrophobicContact CE1-CD1 4.1Å; F50-F71 AromaticContact CE1-CE1 3.28Å; F50-F71 HydrophobicContact CE1-CE1 3.28Å; F50-F71 AromaticContact CE1-CZ 3.87Å; F50-F71 HydrophobicContact CE1-CZ 3.87Å; F50-F71 HydrophobicContact CE2-CE1 4.48Å; F50-F71 HydrophobicContact CZ-CD1 4.01Å; F50-F71 AromaticContact CZ-CE1 3.63Å; F50-F71 HydrophobicContact CZ-CE1 3.63Å; F50-F71 HydrophobicContact CZ-CZ 4.31Å; L69-F71 WeakPolarHBondContact CD1-O 3.08Å; F71-D73 HydrophobicContact CE1-CB 3.71Å; F71-D73 HydrophobicContact CZ-CB 4.22Å; F71-T94 HydrophobicContact CD2-CG2 3.46Å; F71-T94 VanDerWaalsContact CD2-CG2 3.46Å; F71-T94 HydrophobicContact CE2-CG2 3.49Å; F71-T94 VanDerWaalsContact CE2-CG2 3.49Å; F71-T94 HydrophobicContact CG-CG2 4.42Å; F71-T94 HydrophobicContact CZ-CG2 4.45Å; F71-L96 HydrophobicContact CE2-CD1 4.09Å; F71-L96 HydrophobicContact CZ-CD1 3.62Å; F71-L96 HydrophobicContact CZ-CG 4.25Å |
| 72 | L | 95.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 118.2 | 175.7 | 179.6 | 55.1 | 0 | 0 | 0 | 110.6 | L49 L51 L69 I74 I86 L92 T94 L95 L96 | L49-L72 HydrophobicContact CB-CD1 4.03Å; L49-L72 HydrophobicContact CD2-CD1 3.95Å; L49-L72 HydrophobicContact CG-CD1 3.98Å; L51-L72 HydrophobicContact CD1-CD1 4.35Å; L69-L72 HydrophobicContact CD2-CB 3.9Å; L69-L72 HydrophobicContact CD2-CD1 4.23Å; L69-L72 HydrophobicContact CD2-CD2 4.31Å; L69-L72 HydrophobicContact CD2-CG 4.37Å; L72-I74 HydrophobicContact CD1-CG2 3.7Å; L72-I74 HydrophobicContact CD2-CG2 4.37Å; L72-I74 HydrophobicContact CG-CG2 3.9Å; L72-I86 HydrophobicContact CD2-CD1 4.17Å; L72-L92 HydrophobicContact CB-CD1 3.84Å; L72-T94 PolarHBondContact N-O 3.36Å; L72-L95 HydrophobicContact CB-CD1 4.02Å; L72-L95 HydrophobicContact CD2-CD1 3.86Å; L72-L95 HydrophobicContact CG-CD1 3.91Å; L72-L96 PolarHBondContact O-N 3.42Å |
| 73 | D | 94.6 | Very high | 91 | Very high | 13 Ų | 13 | 28.5 Ų | 28.5 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 112.2 | 169.7 | -175.5 | 11 | 0 | 0 | 0 | 111.4 | L49 F50 L51 N52 F71 S75 L96 | L49-D73 PolarHBondContact O-N 3.02Å; F50-D73 HydrophobicContact CD1-CB 4.02Å; L51-D73 WeakPolarHBondContact CA-O 3.49Å; L51-D73 PolarHBondContact N-O 3.25Å; N52-D73 WeakPolarHBondContact CB-OD2 3.42Å; N52-D73 VanDerWaalsContact CG-OD2 3.28Å; N52-D73 PolarHBondContact N-O 3.27Å; N52-D73 PolarHBondContact ND2-OD2 3.01Å; F71-D73 HydrophobicContact CE1-CB 3.71Å; F71-D73 HydrophobicContact CZ-CB 4.22Å; D73-S75 WeakPolarHBondContact OD1-CB 3.3Å; D73-S75 PolarHBondContact OD1-N 3.01Å; D73-S75 PolarHBondContact OD1-OG 3.2Å; D73-L96 WeakPolarHBondContact CA-O 3.41Å; D73-L96 HydrophobicContact CB-CB 4.13Å; D73-L96 HydrophobicContact CB-CD1 4.36Å; D73-L96 WeakPolarHBondContact OD1-CB 3.45Å |
| 74 | I | 93.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | trans | -115 | 19.3 | 178 | 56.5 | 178.7 | 0 | 0 | 0 | 111.4 | L51 L59 L72 N77 L79 L95 L96 A97 N100 | L51-I74 HydrophobicContact CB-CG2 4.13Å; L51-I74 HydrophobicContact CD1-CG2 4.07Å; L59-I74 HydrophobicContact CD1-CD1 4.36Å; L59-I74 HydrophobicContact CD1-CG2 3.55Å; L72-I74 HydrophobicContact CD1-CG2 3.7Å; L72-I74 HydrophobicContact CD2-CG2 4.37Å; L72-I74 HydrophobicContact CG-CG2 3.9Å; I74-N77 PolarHBondContact O-ND2 3.45Å; I74-L79 HydrophobicContact CB-CD1 3.86Å; I74-L79 HydrophobicContact CD1-CD1 3.7Å; I74-L79 HydrophobicContact CG1-CD1 4.03Å; I74-L95 HydrophobicContact CD1-CD1 4.12Å; I74-L95 HydrophobicContact CG1-CD1 4.39Å; I74-L96 VanDerWaalsContact CG1-O 3.28Å; I74-L96 WeakPolarHBondContact CG1-O 3.28Å; I74-L96 PolarHBondContact N-O 2.78Å; I74-A97 HydrophobicContact CD1-CB 3.85Å; I74-A97 HydrophobicContact CG1-CB 3.65Å; I74-N100 PolarHBondContact O-ND2 2.93Å | ||
| 75 | S | 94 | Very high | 91.1 | Very high | 7 Ų | 7 | 34.9 Ų | 34.9 | 5% | 0.049 | 18% | 0.184 | C | C | . | . | trans | -69.9 | 154.7 | -174.1 | -54.4 | 0 | 0 | 0 | 0 | 114.2 | N52 Y53 D73 N77 L96 K98 | N52-S75 CarbonylContact C-O 3.46Å; N52-S75 WeakPolarHBondContact CA-O 3.44Å; N52-S75 WeakPolarHBondContact CB-O 3.29Å; Y53-S75 PolarHBondContact N-O 3.02Å; D73-S75 WeakPolarHBondContact OD1-CB 3.3Å; D73-S75 PolarHBondContact OD1-N 3.01Å; D73-S75 PolarHBondContact OD1-OG 3.2Å; S75-N77 PolarHBondContact O-ND2 3.16Å; S75-L96 PolarHBondContact OG-O 3.34Å; S75-K98 CarbonylContact C-O 3.52Å; S75-K98 WeakPolarHBondContact CA-O 3.26Å; S75-K98 VanDerWaalsContact CB-O 3.32Å; S75-K98 WeakPolarHBondContact CB-O 3.39Å; S75-K98 PolarHBondContact OG-N 3.32Å | ||
| 76 | N | 93.1 | Very high | 91.3 | Very high | 38 Ų | 38 | 32.3 Ų | 32.3 | 20% | 0.203 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 56.6 | 57.8 | -177.9 | -49.3 | -81.4 | 0 | 0 | 0 | 111.4 | Y53 N54 K98 N99 | Y53-N76 VanDerWaalsContact CA-O 3.26Å; Y53-N76 WeakPolarHBondContact CA-O 3.44Å; Y53-N76 HydrophobicContact CD1-CB 3.66Å; Y53-N76 HydrophobicContact CE1-CB 3.92Å; Y53-N76 WeakPolarHBondContact CE1-ND2 3.4Å; Y53-N76 HydrophobicContact CG-CB 4.02Å; Y53-N76 VanDerWaalsContact CZ-ND2 3.26Å; Y53-N76 PolarHBondContact N-O 3.3Å; N54-N76 PolarHBondContact N-O 2.89Å; N76-K98 PolarHBondContact N-O 3.35Å; N76-N99 VanDerWaalsContact CA-O 3.29Å; N76-N99 WeakPolarHBondContact CA-O 3.32Å; N76-N99 PolarHBondContact N-O 2.98Å; N76-N99 WeakPolarHBondContact OD1-CB 3.06Å; N76-N99 PolarHBondContact OD1-ND2 3.25Å |
| 77 | N | 92.6 | Very high | 91.3 | Very high | 17 Ų | 17 | 33.3 Ų | 33.3 | 9% | 0.091 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -130.7 | -174.7 | 175.9 | -87.3 | -73.6 | 0 | 0 | 0 | 109.9 | L51 N54 R55 L56 I74 S75 L79 N99 N100 | L51-N77 PolarHBondContact O-ND2 3.37Å; N54-N77 VanDerWaalsContact CA-OD1 3.3Å; N54-N77 WeakPolarHBondContact CA-OD1 3.31Å; N54-N77 WeakPolarHBondContact CB-OD1 3.29Å; N54-N77 PolarHBondContact N-OD1 3Å; N54-N77 PolarHBondContact O-OD1 2.87Å; R55-N77 PolarHBondContact N-OD1 3.03Å; L56-N77 HydrophobicContact CB-CB 4.36Å; L56-N77 WeakPolarHBondContact CB-OD1 3.43Å; L56-N77 WeakPolarHBondContact CG-OD1 3.49Å; L56-N77 PolarHBondContact N-OD1 2.83Å; I74-N77 PolarHBondContact O-ND2 3.45Å; S75-N77 PolarHBondContact O-ND2 3.16Å; N77-L79 HydrophobicContact CB-CD1 4.43Å; N77-L79 HydrophobicContact CB-CG 4.02Å; N77-N99 PolarHBondContact N-O 3.12Å; N77-N100 VanDerWaalsContact CA-OD1 3.31Å; N77-N100 WeakPolarHBondContact CA-OD1 3.47Å; N77-N100 WeakPolarHBondContact CB-OD1 3.05Å; N77-N100 PolarHBondContact N-OD1 2.68Å; N77-N100 PolarHBondContact O-OD1 2.92Å |
| 78 | G | 91.3 | Very high | 91.5 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 18% | 0.175 | 18% | 0.184 | C | C | . | . | trans | -98 | 13.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.3 | L56 T80 | L56-G78 CarbonylContact O-C 3.07Å; L56-G78 VanDerWaalsContact O-CA 3.23Å; L56-G78 WeakPolarHBondContact O-CA 3.23Å; L56-G78 PolarHBondContact O-N 3.24Å; G78-T80 PolarHBondContact O-N 2.97Å | ||
| 79 | L | 92.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | trans | -61.9 | 126.1 | -163 | -63.6 | 173.8 | 0 | 0 | 0 | 112.4 | L56 S57 W58 L59 I74 N77 N100 R101 L102 | L56-L79 HydrophobicContact CB-CD2 3.92Å; L56-L79 PolarHBondContact O-N 3.02Å; L56-L79 VanDerWaalsContact O-N 3.16Å; S57-L79 WeakPolarHBondContact O-CA 3.45Å; W58-L79 VanDerWaalsContact C-CD2 3.41Å; L59-L79 HydrophobicContact CB-CD2 4.41Å; I74-L79 HydrophobicContact CB-CD1 3.86Å; I74-L79 HydrophobicContact CD1-CD1 3.7Å; I74-L79 HydrophobicContact CG1-CD1 4.03Å; N77-L79 HydrophobicContact CB-CD1 4.43Å; N77-L79 HydrophobicContact CB-CG 4.02Å; L79-N100 HydrophobicContact CB-CB 4.28Å; L79-N100 VanDerWaalsContact CB-OD1 3.29Å; L79-N100 WeakPolarHBondContact CB-OD1 3.23Å; L79-N100 WeakPolarHBondContact CG-OD1 3.36Å; L79-N100 PolarHBondContact N-OD1 2.9Å; L79-R101 CarbonylContact O-C 3.3Å; L79-R101 VanDerWaalsContact O-C 3.24Å; L79-R101 VanDerWaalsContact O-CA 3.28Å; L79-R101 WeakPolarHBondContact O-CA 3.45Å; L79-R101 WeakPolarHBondContact O-CB 3.33Å; L79-R101 PolarHBondContact O-N 2.97Å; L79-L102 HydrophobicContact CB-CD2 4.19Å; L79-L102 PolarHBondContact O-N 2.96Å | ||
| 80 | T | 91.3 | Very high | 91.3 | Very high | 80 Ų | 80 | 37.7 Ų | 37.7 | 49% | 0.491 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -105.1 | -4.3 | 177.3 | 60.4 | 0 | 0 | 0 | 0 | 113.7 | S57 G78 R101 S106 | S57-T80 PolarHBondContact O-N 3.27Å; G78-T80 PolarHBondContact O-N 2.97Å; T80-R101 HydrophobicContact CG2-CB 4.06Å; T80-S106 PolarHBondContact O-OG 2.71Å |
| 81 | A | 91.1 | Very high | 91.2 | Very high | 41 Ų | 41 | 39.6 Ų | 39.6 | 34% | 0.339 | 21% | 0.207 | S | C | . | . | trans | -161.1 | 151.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 82 | I | 89.9 | Confident | 91.2 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | trans | -99.8 | 128.3 | 166.6 | -53.4 | -169.6 | 0 | 0 | 0 | 107.8 | I86 L95 L102 S106 L107 F121 | I82-I86 HydrophobicContact CG2-CB 4.01Å; I82-I86 HydrophobicContact CG2-CD1 3.59Å; I82-I86 HydrophobicContact CG2-CG1 4.4Å; I82-I86 HydrophobicContact CG2-CG2 3.72Å; I82-L95 HydrophobicContact CD1-CD2 4.36Å; I82-L102 HydrophobicContact CD1-CD1 4.13Å; I82-L102 HydrophobicContact CG1-CD1 4.26Å; I82-L102 HydrophobicContact CG1-CD2 3.98Å; I82-S106 PolarHBondContact N-O 2.89Å; I82-L107 HydrophobicContact CD1-CD2 3.6Å; I82-L107 HydrophobicContact CG1-CD2 4.12Å; I82-F121 HydrophobicContact CD1-CE1 3.84Å; I82-F121 HydrophobicContact CD1-CZ 4.05Å | ||
| 83 | C | 89.1 | Confident | 91.1 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | trans | -68.5 | 150.6 | -178.7 | 64.3 | 0 | 0 | 0 | 0 | 112.5 | L59 G85 I86 | L59-C83 WeakPolarHBondContact CD2-SG 3.28Å; L59-C83 WeakPolarHBondContact O-CB 3.5Å; C83-G85 PolarHBondContact O-N 2.93Å; C83-G85 VanDerWaalsContact O-N 3.09Å; C83-I86 WeakPolarHBondContact O-CG2 3.33Å; C83-I86 PolarHBondContact O-N 3.17Å; C83-I86 VanDerWaalsContact O-N 3.11Å | ||
| 84 | E | 87.9 | Confident | 91.2 | Very high | 139 Ų | 139 | 41.9 Ų | 41.9 | 65% | 0.65 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -56.5 | -26.5 | 172.8 | -64.6 | -172.3 | 150.3 | 0 | 0 | 113 | I86 T87 P108 | E84-I86 PolarHBondContact O-N 3.43Å; E84-T87 PolarHBondContact O-N 2.8Å; E84-T87 PolarHBondContact O-OG1 3.06Å; E84-P108 HydrophobicContact CB-CB 4.44Å; E84-P108 HydrophobicContact CG-CB 3.92Å |
| 85 | G | 85.9 | Confident | 91.3 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -54.6 | -22.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S64 C83 T87 R88 | S64-G85 WeakPolarHBondContact CB-O 3.49Å; C83-G85 PolarHBondContact O-N 2.93Å; C83-G85 VanDerWaalsContact O-N 3.09Å; G85-T87 VanDerWaalsContact C-N 3.26Å; G85-T87 PolarHBondContact O-N 3.41Å; G85-R88 PolarHBondContact O-N 3.13Å |
| 86 | I | 89.7 | Confident | 91.4 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -65.5 | -27.3 | 177.5 | -151.7 | 170.4 | 0 | 0 | 0 | 112.7 | L72 I82 C83 E84 R88 L89 L92 L95 P108 F111 L114 | L72-I86 HydrophobicContact CD2-CD1 4.17Å; I82-I86 HydrophobicContact CG2-CB 4.01Å; I82-I86 HydrophobicContact CG2-CD1 3.59Å; I82-I86 HydrophobicContact CG2-CG1 4.4Å; I82-I86 HydrophobicContact CG2-CG2 3.72Å; C83-I86 WeakPolarHBondContact O-CG2 3.33Å; C83-I86 PolarHBondContact O-N 3.17Å; C83-I86 VanDerWaalsContact O-N 3.11Å; E84-I86 PolarHBondContact O-N 3.43Å; I86-R88 PolarHBondContact O-N 3.12Å; I86-L89 HydrophobicContact CG1-CD1 4.05Å; I86-L89 WeakPolarHBondContact O-CB 3.22Å; I86-L89 PolarHBondContact O-N 2.69Å; I86-L89 VanDerWaalsContact O-N 3.11Å; I86-L92 HydrophobicContact CD1-CD2 4.31Å; I86-L92 HydrophobicContact CG1-CD2 4.17Å; I86-L95 HydrophobicContact CD1-CD1 4.08Å; I86-L95 HydrophobicContact CD1-CD2 3.82Å; I86-P108 HydrophobicContact CG2-CG 4.02Å; I86-F111 HydrophobicContact CG2-CD2 4.19Å; I86-L114 HydrophobicContact CG2-CD1 4.5Å |
| 87 | T | 88.5 | Confident | 91.5 | Very high | 21 Ų | 21 | 41.4 Ų | 41.4 | 13% | 0.129 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -69.6 | -18.5 | -177.3 | 69.1 | 0 | 0 | 0 | 0 | 112.4 | E84 G85 L89 P108 E110 | E84-T87 PolarHBondContact O-N 2.8Å; E84-T87 PolarHBondContact O-OG1 3.06Å; G85-T87 VanDerWaalsContact C-N 3.26Å; G85-T87 PolarHBondContact O-N 3.41Å; T87-L89 VanDerWaalsContact C-N 3.29Å; T87-P108 HydrophobicContact CG2-CB 4.22Å; T87-P108 HydrophobicContact CG2-CG 3.88Å; T87-E110 HydrophobicContact CG2-CB 3.96Å |
| 88 | R | 89.5 | Confident | 91.6 | Very high | 174 Ų | 174 | 44.9 Ų | 44.9 | 66% | 0.657 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -77.8 | -12.4 | 175.4 | -61 | -177.2 | 175 | -165.4 | -3.3 | 113.4 | G85 I86 T90 | G85-R88 PolarHBondContact O-N 3.13Å; I86-R88 PolarHBondContact O-N 3.12Å; R88-T90 VanDerWaalsContact C-N 3.26Å; R88-T90 PolarHBondContact O-N 3.5Å |
| 89 | L | 90.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -83 | 68.5 | -179.2 | -57 | 179.9 | 0 | 0 | 0 | 110.6 | V63 F66 L69 I86 T87 K91 L92 | V63-L89 HydrophobicContact CG1-CD1 4.37Å; F66-L89 WeakPolarHBondContact O-CD2 3.4Å; L69-L89 HydrophobicContact CD2-CD1 4.01Å; I86-L89 HydrophobicContact CG1-CD1 4.05Å; I86-L89 WeakPolarHBondContact O-CB 3.22Å; I86-L89 PolarHBondContact O-N 2.69Å; I86-L89 VanDerWaalsContact O-N 3.11Å; T87-L89 VanDerWaalsContact C-N 3.29Å; L89-K91 PolarHBondContact O-N 2.91Å; L89-K91 VanDerWaalsContact O-N 3.08Å; L89-L92 HydrophobicContact CB-CB 3.94Å; L89-L92 HydrophobicContact CD1-CD2 4.38Å; L89-L92 VanDerWaalsContact O-CB 3.24Å; L89-L92 WeakPolarHBondContact O-CB 3.39Å; L89-L92 PolarHBondContact O-N 2.92Å | ||
| 90 | T | 88.4 | Confident | 91.8 | Very high | 101 Ų | 101 | 47.7 Ų | 47.7 | 62% | 0.62 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63 | -17.4 | -173.8 | 56.6 | 0 | 0 | 0 | 0 | 114.7 | R88 | R88-T90 VanDerWaalsContact C-N 3.26Å; R88-T90 PolarHBondContact O-N 3.5Å |
| 91 | K | 91.9 | Very high | 91.9 | Very high | 104 Ų | 104 | 50.3 Ų | 50.3 | 45% | 0.452 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -3.4 | 175.7 | -68.1 | -178.7 | 177.7 | -178.7 | 0 | 114.2 | N68 L69 L89 K93 | N68-K91 PolarHBondContact OD1-NZ 2.58Å; L69-K91 CarbonylContact O-C 3.3Å; L69-K91 VanDerWaalsContact O-C 3.27Å; L89-K91 PolarHBondContact O-N 2.91Å; L89-K91 VanDerWaalsContact O-N 3.08Å; K91-K93 PolarHBondContact O-N 3.13Å |
| 92 | L | 94 | Very high | 92.1 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | trans | -68.3 | 116.5 | -176.7 | -170 | 69.7 | 0 | 0 | 0 | 110.4 | L69 L72 I86 L89 L95 L116 | L69-L92 HydrophobicContact CD2-CD1 4.2Å; L69-L92 HydrophobicContact CG-CD1 4.25Å; L69-L92 VanDerWaalsContact O-CA 3.28Å; L69-L92 WeakPolarHBondContact O-CA 3.32Å; L69-L92 PolarHBondContact O-N 3.26Å; L69-L92 VanDerWaalsContact O-N 3.17Å; L72-L92 HydrophobicContact CB-CD1 3.84Å; I86-L92 HydrophobicContact CD1-CD2 4.31Å; I86-L92 HydrophobicContact CG1-CD2 4.17Å; L89-L92 HydrophobicContact CB-CB 3.94Å; L89-L92 HydrophobicContact CD1-CD2 4.38Å; L89-L92 VanDerWaalsContact O-CB 3.24Å; L89-L92 WeakPolarHBondContact O-CB 3.39Å; L89-L92 PolarHBondContact O-N 2.92Å; L92-L95 HydrophobicContact CD2-CB 4.43Å; L92-L116 HydrophobicContact CB-CD2 4.43Å; L92-L116 HydrophobicContact CD2-CD2 4.05Å; L92-L116 HydrophobicContact CG-CD2 3.87Å | ||
| 93 | K | 94.8 | Very high | 92.1 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 34% | 0.343 | 24% | 0.239 | S | C | . | . | trans | -99.7 | -38.7 | 178.1 | -70.4 | 163.1 | 162.7 | -89.8 | 0 | 111.8 | E70 K91 L116 E117 V118 | E70-K93 HydrophobicContact CB-CD 4.49Å; E70-K93 PolarHBondContact O-N 3.02Å; K91-K93 PolarHBondContact O-N 3.13Å; K93-L116 CarbonylContact O-C 3.31Å; K93-L116 WeakPolarHBondContact O-CA 3.16Å; K93-E117 HydrophobicContact CB-CB 4.48Å; K93-E117 HydrophobicContact CB-CG 4.44Å; K93-E117 HydrophobicContact CG-CG 4.47Å; K93-E117 VanDerWaalsContact NZ-CD 3.32Å; K93-E117 IonicContact NZ-OE1 3.45Å; K93-E117 PolarHBondContact NZ-OE1 2.83Å; K93-E117 IonicContact NZ-OE2 3Å; K93-E117 PolarHBondContact NZ-OE2 3.33Å; K93-E117 VanDerWaalsContact NZ-OE2 3.12Å; K93-E117 PolarHBondContact O-N 3.02Å; K93-V118 PolarHBondContact O-N 2.8Å | ||
| 94 | T | 96.3 | Very high | 92 | Very high | 25 Ų | 25 | 51.8 Ų | 51.8 | 15% | 0.153 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 122.7 | -173.2 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | E70 F71 L72 L96 V118 | E70-T94 PolarHBondContact O-N 3.27Å; F71-T94 HydrophobicContact CD2-CG2 3.46Å; F71-T94 VanDerWaalsContact CD2-CG2 3.46Å; F71-T94 HydrophobicContact CE2-CG2 3.49Å; F71-T94 VanDerWaalsContact CE2-CG2 3.49Å; F71-T94 HydrophobicContact CG-CG2 4.42Å; F71-T94 HydrophobicContact CZ-CG2 4.45Å; L72-T94 PolarHBondContact N-O 3.36Å; T94-L96 HydrophobicContact CG2-CD2 4.01Å; T94-L96 HydrophobicContact CG2-CG 4.06Å; T94-V118 WeakPolarHBondContact CA-O 3.24Å; T94-V118 HydrophobicContact CG2-CB 4.03Å; T94-V118 HydrophobicContact CG2-CG1 4.12Å |
| 95 | L | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 112.6 | 172.7 | 179.6 | 61.6 | 0 | 0 | 0 | 110.6 | L72 I74 I82 I86 L92 F111 L116 V118 L119 N120 | L72-L95 HydrophobicContact CB-CD1 4.02Å; L72-L95 HydrophobicContact CD2-CD1 3.86Å; L72-L95 HydrophobicContact CG-CD1 3.91Å; I74-L95 HydrophobicContact CD1-CD1 4.12Å; I74-L95 HydrophobicContact CG1-CD1 4.39Å; I82-L95 HydrophobicContact CD1-CD2 4.36Å; I86-L95 HydrophobicContact CD1-CD1 4.08Å; I86-L95 HydrophobicContact CD1-CD2 3.82Å; L92-L95 HydrophobicContact CD2-CB 4.43Å; L95-F111 HydrophobicContact CD2-CE2 3.77Å; L95-F111 HydrophobicContact CD2-CZ 3.84Å; L95-L116 HydrophobicContact CB-CD2 3.97Å; L95-V118 PolarHBondContact N-O 3.33Å; L95-L119 HydrophobicContact CB-CD1 3.96Å; L95-L119 HydrophobicContact CD2-CD1 3.94Å; L95-L119 HydrophobicContact CG-CD1 4.11Å; L95-N120 PolarHBondContact O-N 3.05Å |
| 96 | L | 96.3 | Very high | 92 | Very high | 36 Ų | 36 | 53 Ų | 53 | 19% | 0.188 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.8 | 173.8 | -51.9 | -176.7 | 0 | 0 | 0 | 109.3 | F71 L72 D73 I74 S75 T94 V118 N120 | F71-L96 HydrophobicContact CE2-CD1 4.09Å; F71-L96 HydrophobicContact CZ-CD1 3.62Å; F71-L96 HydrophobicContact CZ-CG 4.25Å; L72-L96 PolarHBondContact O-N 3.42Å; D73-L96 WeakPolarHBondContact CA-O 3.41Å; D73-L96 HydrophobicContact CB-CB 4.13Å; D73-L96 HydrophobicContact CB-CD1 4.36Å; D73-L96 WeakPolarHBondContact OD1-CB 3.45Å; I74-L96 VanDerWaalsContact CG1-O 3.28Å; I74-L96 WeakPolarHBondContact CG1-O 3.28Å; I74-L96 PolarHBondContact N-O 2.78Å; S75-L96 PolarHBondContact OG-O 3.34Å; T94-L96 HydrophobicContact CG2-CD2 4.01Å; T94-L96 HydrophobicContact CG2-CG 4.06Å; L96-V118 HydrophobicContact CD2-CG1 4.44Å; L96-N120 HydrophobicContact CD2-CB 3.66Å |
| 97 | A | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -134.1 | 38 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | I74 N100 L102 N120 F121 N124 | I74-A97 HydrophobicContact CD1-CB 3.85Å; I74-A97 HydrophobicContact CG1-CB 3.65Å; A97-N100 PolarHBondContact O-ND2 3.2Å; A97-L102 HydrophobicContact CB-CD1 4Å; A97-N120 CarbonylContact C-O 3.3Å; A97-N120 WeakPolarHBondContact CA-O 3.32Å; A97-N120 PolarHBondContact N-O 3.27Å; A97-F121 HydrophobicContact CB-CD1 3.82Å; A97-F121 HydrophobicContact CB-CE1 3.84Å; A97-N124 PolarHBondContact O-ND2 2.96Å | ||
| 98 | K | 94.8 | Very high | 92.1 | Very high | 90 Ų | 90 | 52.8 Ų | 52.8 | 39% | 0.391 | 24% | 0.243 | S | C | . | . | trans | -64.6 | 150.1 | -179.8 | 174 | 175.8 | -178.5 | 178.2 | 0 | 111.1 | S75 N76 N100 N120 S122 | S75-K98 CarbonylContact C-O 3.52Å; S75-K98 WeakPolarHBondContact CA-O 3.26Å; S75-K98 VanDerWaalsContact CB-O 3.32Å; S75-K98 WeakPolarHBondContact CB-O 3.39Å; S75-K98 PolarHBondContact OG-N 3.32Å; N76-K98 PolarHBondContact N-O 3.35Å; K98-N100 PolarHBondContact O-ND2 2.85Å; K98-N120 PolarHBondContact N-O 2.88Å; K98-S122 CarbonylContact C-O 3.31Å; K98-S122 WeakPolarHBondContact CA-O 3.35Å; K98-S122 WeakPolarHBondContact CG-O 3.29Å | ||
| 99 | N | 93.7 | Very high | 91.9 | Very high | 66 Ų | 66 | 53.4 Ų | 53.4 | 35% | 0.353 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 53.9 | 58.3 | 173.9 | -64.2 | -8.2 | 0 | 0 | 0 | 112.7 | N76 N77 S122 G123 | N76-N99 VanDerWaalsContact CA-O 3.29Å; N76-N99 WeakPolarHBondContact CA-O 3.32Å; N76-N99 PolarHBondContact N-O 2.98Å; N76-N99 WeakPolarHBondContact OD1-CB 3.06Å; N76-N99 PolarHBondContact OD1-ND2 3.25Å; N77-N99 PolarHBondContact N-O 3.12Å; N99-S122 PolarHBondContact N-O 3.17Å; N99-G123 VanDerWaalsContact CA-O 3.29Å; N99-G123 WeakPolarHBondContact CA-O 3.17Å |
| 100 | N | 94.5 | Very high | 91.9 | Very high | 10 Ų | 10 | 59.5 Ų | 59.5 | 5% | 0.053 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -124.1 | -163.6 | 174.8 | -87.3 | -69.3 | 0 | 0 | 0 | 109.8 | I74 N77 L79 A97 K98 L102 N124 | I74-N100 PolarHBondContact O-ND2 2.93Å; N77-N100 VanDerWaalsContact CA-OD1 3.31Å; N77-N100 WeakPolarHBondContact CA-OD1 3.47Å; N77-N100 WeakPolarHBondContact CB-OD1 3.05Å; N77-N100 PolarHBondContact N-OD1 2.68Å; N77-N100 PolarHBondContact O-OD1 2.92Å; L79-N100 HydrophobicContact CB-CB 4.28Å; L79-N100 VanDerWaalsContact CB-OD1 3.29Å; L79-N100 WeakPolarHBondContact CB-OD1 3.23Å; L79-N100 WeakPolarHBondContact CG-OD1 3.36Å; L79-N100 PolarHBondContact N-OD1 2.9Å; A97-N100 PolarHBondContact O-ND2 3.2Å; K98-N100 PolarHBondContact O-ND2 2.85Å; N100-L102 HydrophobicContact CB-CD1 4.37Å; N100-L102 HydrophobicContact CB-CG 4.05Å; N100-N124 VanDerWaalsContact CA-OD1 3.23Å; N100-N124 WeakPolarHBondContact CA-OD1 3.16Å; N100-N124 WeakPolarHBondContact CB-OD1 3.14Å; N100-N124 PolarHBondContact N-OD1 2.7Å; N100-N124 PolarHBondContact O-OD1 3.09Å |
| 101 | R | 93.6 | Very high | 92 | Very high | 136 Ų | 136 | 54.7 Ų | 54.7 | 51% | 0.513 | 25% | 0.249 | S | C | . | . | trans | -115.9 | 23.6 | 177.8 | -59.8 | -179.3 | 177.5 | -174 | 0.3 | 112.1 | L79 T80 N124 | L79-R101 CarbonylContact O-C 3.3Å; L79-R101 VanDerWaalsContact O-C 3.24Å; L79-R101 VanDerWaalsContact O-CA 3.28Å; L79-R101 WeakPolarHBondContact O-CA 3.45Å; L79-R101 WeakPolarHBondContact O-CB 3.33Å; L79-R101 PolarHBondContact O-N 2.97Å; T80-R101 HydrophobicContact CG2-CB 4.06Å; R101-N124 PolarHBondContact N-OD1 2.99Å | ||
| 102 | L | 93.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -68.8 | 146.2 | -176.5 | -55.3 | 172.4 | 0 | 0 | 0 | 111.6 | L79 I82 A97 N100 S106 F121 N124 R125 F126 | L79-L102 HydrophobicContact CB-CD2 4.19Å; L79-L102 PolarHBondContact O-N 2.96Å; I82-L102 HydrophobicContact CD1-CD1 4.13Å; I82-L102 HydrophobicContact CG1-CD1 4.26Å; I82-L102 HydrophobicContact CG1-CD2 3.98Å; A97-L102 HydrophobicContact CB-CD1 4Å; N100-L102 HydrophobicContact CB-CD1 4.37Å; N100-L102 HydrophobicContact CB-CG 4.05Å; L102-S106 WeakPolarHBondContact CA-OG 3.42Å; L102-F121 HydrophobicContact CD1-CD1 3.93Å; L102-F121 HydrophobicContact CD1-CE1 3.91Å; L102-N124 HydrophobicContact CB-CB 4.31Å; L102-N124 WeakPolarHBondContact CB-OD1 3.4Å; L102-N124 WeakPolarHBondContact CG-OD1 3.45Å; L102-N124 PolarHBondContact N-OD1 3Å; L102-R125 CarbonylContact O-C 3.12Å; L102-R125 WeakPolarHBondContact O-CA 3.13Å; L102-R125 WeakPolarHBondContact O-CB 3.38Å; L102-R125 PolarHBondContact O-N 3.35Å; L102-F126 HydrophobicContact CB-CE2 3.81Å; L102-F126 HydrophobicContact CB-CZ 3.71Å | ||
| 103 | D | 91.9 | Very high | 91.5 | Very high | 59 Ų | 59 | 54 Ų | 54 | 32% | 0.316 | 26% | 0.26 | S | S | . | . | trans | -133 | 179.6 | 177.4 | 66.8 | 0.9 | 0 | 0 | 0 | 110.9 | F105 S106 F126 | D103-F105 PolarHBondContact O-N 2.99Å; D103-F105 VanDerWaalsContact O-N 3.16Å; D103-F105 PolarHBondContact OD1-N 2.74Å; D103-S106 PolarHBondContact N-OG 3.01Å; D103-S106 WeakPolarHBondContact O-CB 3.28Å; D103-S106 PolarHBondContact O-N 3.08Å; D103-S106 PolarHBondContact O-OG 2.99Å; D103-S106 WeakPolarHBondContact OD1-CB 3.4Å; D103-S106 PolarHBondContact OD1-N 3.46Å; D103-S106 PolarHBondContact OD1-OG 2.84Å; D103-F126 VanDerWaalsContact C-CD1 3.49Å; D103-F126 WeakPolarHBondContact O-CE1 3.17Å | ||
| 104 | E | 85.1 | Confident | 91.3 | Very high | 40 Ų | 40 | 50.7 Ų | 50.7 | 19% | 0.187 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -61.8 | -23.6 | -177 | 60.6 | -116.4 | -167.6 | 0 | 0 | 114.8 | Q127 P130 | E104-Q127 PolarHBondContact OE2-N 3.16Å; E104-P130 HydrophobicContact CB-CG 4.39Å |
| 105 | F | 86.6 | Confident | 91.1 | Very high | 163 Ų | 163 | 54.1 Ų | 54.1 | 72% | 0.715 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -89.4 | -9.8 | 177.8 | -52.8 | -70.5 | 0 | 0 | 0 | 113.3 | D103 L107 | D103-F105 PolarHBondContact O-N 2.99Å; D103-F105 VanDerWaalsContact O-N 3.16Å; D103-F105 PolarHBondContact OD1-N 2.74Å; F105-L107 PolarHBondContact O-N 3.37Å |
| 106 | S | 88.4 | Confident | 91.1 | Very high | 5 Ų | 5 | 54.1 Ų | 54.1 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -69 | -12.1 | -180 | -67.3 | 0 | 0 | 0 | 0 | 114.6 | T80 I82 L102 D103 | T80-S106 PolarHBondContact O-OG 2.71Å; I82-S106 PolarHBondContact N-O 2.89Å; L102-S106 WeakPolarHBondContact CA-OG 3.42Å; D103-S106 PolarHBondContact N-OG 3.01Å; D103-S106 WeakPolarHBondContact O-CB 3.28Å; D103-S106 PolarHBondContact O-N 3.08Å; D103-S106 PolarHBondContact O-OG 2.99Å; D103-S106 WeakPolarHBondContact OD1-CB 3.4Å; D103-S106 PolarHBondContact OD1-N 3.46Å; D103-S106 PolarHBondContact OD1-OG 2.84Å |
| 107 | L | 90.3 | Very high | 91 | Very high | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -100.6 | 132.6 | -175.3 | -58.7 | -173.7 | 0 | 0 | 0 | 112.1 | I82 F105 F111 F121 P130 Q132 | I82-L107 HydrophobicContact CD1-CD2 3.6Å; I82-L107 HydrophobicContact CG1-CD2 4.12Å; F105-L107 PolarHBondContact O-N 3.37Å; L107-F111 HydrophobicContact CB-CB 4.47Å; L107-F111 HydrophobicContact CB-CG 4.47Å; L107-F111 HydrophobicContact CD1-CD1 4.06Å; L107-F111 HydrophobicContact CD1-CE1 4.17Å; L107-F111 HydrophobicContact CD2-CE2 4.46Å; L107-F121 HydrophobicContact CD1-CE2 3.93Å; L107-F121 HydrophobicContact CD1-CZ 4.24Å; L107-F121 HydrophobicContact CD2-CE1 4.34Å; L107-F121 HydrophobicContact CD2-CE2 4.12Å; L107-F121 HydrophobicContact CD2-CZ 3.6Å; L107-P130 HydrophobicContact CD1-CB 3.77Å; L107-P130 HydrophobicContact CD1-CG 3.73Å; L107-Q132 PolarHBondContact O-NE2 2.62Å |
| 108 | P | 88.9 | Confident | 91.2 | Very high | 11 Ų | 11 | 57 Ų | 57 | 7% | 0.071 | 28% | 0.275 | C | S | . | . | trans | -64.7 | 150.8 | 178.6 | 26.2 | -31.9 | 0 | 0 | 0 | 111.4 | E84 I86 T87 E110 F111 | E84-P108 HydrophobicContact CB-CB 4.44Å; E84-P108 HydrophobicContact CG-CB 3.92Å; I86-P108 HydrophobicContact CG2-CG 4.02Å; T87-P108 HydrophobicContact CG2-CB 4.22Å; T87-P108 HydrophobicContact CG2-CG 3.88Å; P108-E110 PolarHBondContact O-N 3.49Å; P108-E110 VanDerWaalsContact O-N 3.14Å; P108-F111 HydrophobicContact CG-CB 4.01Å; P108-F111 HydrophobicContact CG-CD2 4.33Å; P108-F111 WeakPolarHBondContact O-CB 3.49Å; P108-F111 PolarHBondContact O-N 3.37Å | ||
| 109 | K | 86.9 | Confident | 91.2 | Very high | 187 Ų | 187 | 52.7 Ų | 52.7 | 81% | 0.813 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -36.5 | -174.6 | -66.8 | 177.7 | -179 | 173.7 | 0 | 113.2 | ||
| 110 | E | 89.1 | Confident | 91.4 | Very high | 129 Ų | 129 | 51.2 Ų | 51.2 | 60% | 0.603 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | 7.8 | -179.6 | -63.7 | 179.1 | 175.2 | 0 | 0 | 113.8 | T87 P108 G112 S113 | T87-E110 HydrophobicContact CG2-CB 3.96Å; P108-E110 PolarHBondContact O-N 3.49Å; P108-E110 VanDerWaalsContact O-N 3.14Å; E110-G112 PolarHBondContact O-N 2.74Å; E110-G112 VanDerWaalsContact O-N 3.12Å; E110-S113 WeakPolarHBondContact O-CB 3.24Å; E110-S113 PolarHBondContact O-N 3Å; E110-S113 PolarHBondContact O-OG 3.11Å |
| 111 | F | 90.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -54.7 | -33.5 | 179.5 | -175.6 | -98.1 | 0 | 0 | 0 | 112.6 | I86 L95 L107 P108 S113 L114 L116 L119 F121 Q132 L136 | I86-F111 HydrophobicContact CG2-CD2 4.19Å; L95-F111 HydrophobicContact CD2-CE2 3.77Å; L95-F111 HydrophobicContact CD2-CZ 3.84Å; L107-F111 HydrophobicContact CB-CB 4.47Å; L107-F111 HydrophobicContact CB-CG 4.47Å; L107-F111 HydrophobicContact CD1-CD1 4.06Å; L107-F111 HydrophobicContact CD1-CE1 4.17Å; L107-F111 HydrophobicContact CD2-CE2 4.46Å; P108-F111 HydrophobicContact CG-CB 4.01Å; P108-F111 HydrophobicContact CG-CD2 4.33Å; P108-F111 WeakPolarHBondContact O-CB 3.49Å; P108-F111 PolarHBondContact O-N 3.37Å; F111-S113 PolarHBondContact O-N 2.74Å; F111-L114 HydrophobicContact CD2-CD1 3.95Å; F111-L114 HydrophobicContact CE2-CD1 4.01Å; F111-L114 WeakPolarHBondContact O-CB 3.39Å; F111-L114 WeakPolarHBondContact O-CG 2.95Å; F111-L114 PolarHBondContact O-N 3.23Å; F111-L116 HydrophobicContact CE1-CD1 4.31Å; F111-L116 HydrophobicContact CE2-CD1 4.45Å; F111-L116 HydrophobicContact CZ-CD1 3.86Å; F111-L119 HydrophobicContact CE1-CD2 4.02Å; F111-L119 HydrophobicContact CZ-CD1 4.11Å; F111-L119 HydrophobicContact CZ-CD2 4.29Å; F111-F121 HydrophobicContact CE1-CE2 4.34Å; F111-F121 HydrophobicContact CE1-CZ 4.32Å; F111-F121 HydrophobicContact CZ-CE2 4.32Å; F111-F121 AromaticContact CZ-CZ 3.87Å; F111-F121 HydrophobicContact CZ-CZ 3.87Å; F111-Q132 HydrophobicContact CB-CB 4.08Å; F111-Q132 HydrophobicContact CD1-CB 4.24Å; F111-L136 HydrophobicContact CE1-CD1 4.05Å |
| 112 | G | 87.4 | Confident | 91.5 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -70 | -2.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | E110 Q132 | E110-G112 PolarHBondContact O-N 2.74Å; E110-G112 VanDerWaalsContact O-N 3.12Å; G112-Q132 WeakPolarHBondContact CA-O 3.37Å |
| 113 | S | 89.1 | Confident | 91.5 | Very high | 76 Ų | 76 | 46 Ų | 46 | 53% | 0.531 | 24% | 0.238 | S | C | . | . | G | 310 helix | trans | -84.3 | -13.2 | 172.6 | 69.2 | 0 | 0 | 0 | 0 | 113.2 | E110 F111 | E110-S113 WeakPolarHBondContact O-CB 3.24Å; E110-S113 PolarHBondContact O-N 3Å; E110-S113 PolarHBondContact O-OG 3.11Å; F111-S113 PolarHBondContact O-N 2.74Å |
| 114 | L | 90.9 | Very high | 91.6 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 4% | 0.042 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -69.9 | 146.5 | 180 | -66.5 | 174.9 | 0 | 0 | 0 | 112 | I86 F111 L116 L136 | I86-L114 HydrophobicContact CG2-CD1 4.5Å; F111-L114 HydrophobicContact CD2-CD1 3.95Å; F111-L114 HydrophobicContact CE2-CD1 4.01Å; F111-L114 WeakPolarHBondContact O-CB 3.39Å; F111-L114 WeakPolarHBondContact O-CG 2.95Å; F111-L114 PolarHBondContact O-N 3.23Å; L114-L116 VanDerWaalsContact C-N 3.27Å; L114-L116 HydrophobicContact CB-CD1 4.21Å; L114-L116 HydrophobicContact CB-CG 4.02Å; L114-L116 HydrophobicContact CD1-CD1 4.15Å; L114-L116 PolarHBondContact O-N 3.37Å; L114-L136 HydrophobicContact CB-CD2 4.19Å; L114-L136 VanDerWaalsContact O-CD2 3.24Å; L114-L136 WeakPolarHBondContact O-CD2 3.26Å |
| 115 | Q | 91.7 | Very high | 92.1 | Very high | 98 Ų | 98 | 48 Ų | 48 | 46% | 0.458 | 24% | 0.24 | S | C | . | . | trans | -95.5 | 45.2 | 179.6 | -62 | -175.7 | 10.3 | 0 | 0 | 111.3 | ||||
| 116 | L | 94.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -65.6 | 134.5 | -179.4 | -71.1 | 167.5 | 0 | 0 | 0 | 111.4 | L92 K93 L95 F111 L114 L119 L136 R138 L139 | L92-L116 HydrophobicContact CB-CD2 4.43Å; L92-L116 HydrophobicContact CD2-CD2 4.05Å; L92-L116 HydrophobicContact CG-CD2 3.87Å; K93-L116 CarbonylContact O-C 3.31Å; K93-L116 WeakPolarHBondContact O-CA 3.16Å; L95-L116 HydrophobicContact CB-CD2 3.97Å; F111-L116 HydrophobicContact CE1-CD1 4.31Å; F111-L116 HydrophobicContact CE2-CD1 4.45Å; F111-L116 HydrophobicContact CZ-CD1 3.86Å; L114-L116 VanDerWaalsContact C-N 3.27Å; L114-L116 HydrophobicContact CB-CD1 4.21Å; L114-L116 HydrophobicContact CB-CG 4.02Å; L114-L116 HydrophobicContact CD1-CD1 4.15Å; L114-L116 PolarHBondContact O-N 3.37Å; L116-L119 HydrophobicContact CD1-CD1 4.33Å; L116-L136 HydrophobicContact CB-CD1 4.47Å; L116-L136 HydrophobicContact CB-CD2 4.48Å; L116-L136 HydrophobicContact CD1-CD1 4.06Å; L116-L136 HydrophobicContact CD1-CD2 4.3Å; L116-R138 CarbonylContact O-C 3.31Å; L116-R138 VanDerWaalsContact O-C 3.3Å; L116-L139 HydrophobicContact CB-CD1 4.19Å; L116-L139 VanDerWaalsContact O-CA 3.29Å; L116-L139 WeakPolarHBondContact O-CA 3.49Å; L116-L139 PolarHBondContact O-N 3.34Å | ||
| 117 | E | 95.8 | Very high | 92.7 | Very high | 52 Ų | 52 | 44 Ų | 44 | 24% | 0.243 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -97.2 | -36.2 | 173.4 | -67.1 | 166.5 | -174.3 | 0 | 0 | 110.2 | K93 Q140 S141 | K93-E117 HydrophobicContact CB-CB 4.48Å; K93-E117 HydrophobicContact CB-CG 4.44Å; K93-E117 HydrophobicContact CG-CG 4.47Å; K93-E117 VanDerWaalsContact NZ-CD 3.32Å; K93-E117 IonicContact NZ-OE1 3.45Å; K93-E117 PolarHBondContact NZ-OE1 2.83Å; K93-E117 IonicContact NZ-OE2 3Å; K93-E117 PolarHBondContact NZ-OE2 3.33Å; K93-E117 VanDerWaalsContact NZ-OE2 3.12Å; K93-E117 PolarHBondContact O-N 3.02Å; E117-Q140 PolarHBondContact O-N 2.78Å; E117-S141 PolarHBondContact O-N 2.81Å; E117-S141 VanDerWaalsContact O-N 3.07Å |
| 118 | V | 96.9 | Very high | 92.8 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 26% | 0.261 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 126.3 | -177.6 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | K93 T94 L95 L96 | K93-V118 PolarHBondContact O-N 2.8Å; T94-V118 WeakPolarHBondContact CA-O 3.24Å; T94-V118 HydrophobicContact CG2-CB 4.03Å; T94-V118 HydrophobicContact CG2-CG1 4.12Å; L95-V118 PolarHBondContact N-O 3.33Å; L96-V118 HydrophobicContact CD2-CG1 4.44Å |
| 119 | L | 96.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 122.6 | -179.6 | -176.8 | 57.9 | 0 | 0 | 0 | 111.7 | L95 F111 L116 F121 L136 L139 S141 L142 S143 | L95-L119 HydrophobicContact CB-CD1 3.96Å; L95-L119 HydrophobicContact CD2-CD1 3.94Å; L95-L119 HydrophobicContact CG-CD1 4.11Å; F111-L119 HydrophobicContact CE1-CD2 4.02Å; F111-L119 HydrophobicContact CZ-CD1 4.11Å; F111-L119 HydrophobicContact CZ-CD2 4.29Å; L116-L119 HydrophobicContact CD1-CD1 4.33Å; L119-F121 HydrophobicContact CD1-CD2 4.21Å; L119-F121 HydrophobicContact CD1-CE1 4.08Å; L119-F121 HydrophobicContact CD1-CE2 3.75Å; L119-F121 HydrophobicContact CD1-CZ 3.65Å; L119-F121 HydrophobicContact CD2-CD2 4.14Å; L119-F121 HydrophobicContact CD2-CE2 3.71Å; L119-F121 HydrophobicContact CD2-CZ 4.38Å; L119-F121 HydrophobicContact CG-CD2 4.07Å; L119-F121 HydrophobicContact CG-CE2 3.9Å; L119-F121 HydrophobicContact CG-CZ 4.33Å; L119-L136 HydrophobicContact CD2-CD1 3.65Å; L119-L139 HydrophobicContact CB-CD1 3.64Å; L119-L139 HydrophobicContact CB-CD2 4.38Å; L119-S141 PolarHBondContact N-O 3.09Å; L119-L142 HydrophobicContact CB-CD1 4.23Å; L119-L142 HydrophobicContact CD2-CD1 4.06Å; L119-L142 HydrophobicContact CG-CD1 4.2Å; L119-S143 PolarHBondContact O-N 3.47Å |
| 120 | N | 96.2 | Very high | 93 | Very high | 36 Ų | 36 | 40 Ų | 40 | 19% | 0.193 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 107.2 | 179 | -163 | -23.5 | 0 | 0 | 0 | 112.8 | L95 L96 A97 K98 S122 S143 | L95-N120 PolarHBondContact O-N 3.05Å; L96-N120 HydrophobicContact CD2-CB 3.66Å; A97-N120 CarbonylContact C-O 3.3Å; A97-N120 WeakPolarHBondContact CA-O 3.32Å; A97-N120 PolarHBondContact N-O 3.27Å; K98-N120 PolarHBondContact N-O 2.88Å; N120-S122 VanDerWaalsContact OD1-CB 3.24Å; N120-S122 WeakPolarHBondContact OD1-CB 3.04Å; N120-S122 PolarHBondContact OD1-N 3.22Å; N120-S122 PolarHBondContact OD1-OG 3.24Å; N120-S143 CarbonylContact C-O 3.21Å; N120-S143 WeakPolarHBondContact CA-O 3.35Å |
| 121 | F | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -109.8 | 22.4 | 174.3 | -72.5 | -39.6 | 0 | 0 | 0 | 112.9 | I82 A97 L102 L107 F111 L119 N124 F126 S143 I144 N147 | I82-F121 HydrophobicContact CD1-CE1 3.84Å; I82-F121 HydrophobicContact CD1-CZ 4.05Å; A97-F121 HydrophobicContact CB-CD1 3.82Å; A97-F121 HydrophobicContact CB-CE1 3.84Å; L102-F121 HydrophobicContact CD1-CD1 3.93Å; L102-F121 HydrophobicContact CD1-CE1 3.91Å; L107-F121 HydrophobicContact CD1-CE2 3.93Å; L107-F121 HydrophobicContact CD1-CZ 4.24Å; L107-F121 HydrophobicContact CD2-CE1 4.34Å; L107-F121 HydrophobicContact CD2-CE2 4.12Å; L107-F121 HydrophobicContact CD2-CZ 3.6Å; F111-F121 HydrophobicContact CE1-CE2 4.34Å; F111-F121 HydrophobicContact CE1-CZ 4.32Å; F111-F121 HydrophobicContact CZ-CE2 4.32Å; F111-F121 AromaticContact CZ-CZ 3.87Å; F111-F121 HydrophobicContact CZ-CZ 3.87Å; L119-F121 HydrophobicContact CD1-CD2 4.21Å; L119-F121 HydrophobicContact CD1-CE1 4.08Å; L119-F121 HydrophobicContact CD1-CE2 3.75Å; L119-F121 HydrophobicContact CD1-CZ 3.65Å; L119-F121 HydrophobicContact CD2-CD2 4.14Å; L119-F121 HydrophobicContact CD2-CE2 3.71Å; L119-F121 HydrophobicContact CD2-CZ 4.38Å; L119-F121 HydrophobicContact CG-CD2 4.07Å; L119-F121 HydrophobicContact CG-CE2 3.9Å; L119-F121 HydrophobicContact CG-CZ 4.33Å; F121-N124 PolarHBondContact O-ND2 2.98Å; F121-F126 HydrophobicContact CB-CD2 4.26Å; F121-F126 HydrophobicContact CB-CE2 3.68Å; F121-F126 HydrophobicContact CB-CZ 4.37Å; F121-F126 HydrophobicContact CD1-CE2 4.26Å; F121-F126 HydrophobicContact CD1-CZ 4.36Å; F121-F126 HydrophobicContact CD2-CE2 4.26Å; F121-F126 HydrophobicContact CD2-CZ 4.11Å; F121-F126 HydrophobicContact CE2-CZ 4.47Å; F121-F126 AromaticContact CG-CE2 3.85Å; F121-F126 HydrophobicContact CG-CE2 3.85Å; F121-F126 HydrophobicContact CG-CZ 4.06Å; F121-S143 PolarHBondContact N-O 3.25Å; F121-I144 HydrophobicContact CB-CG2 4.19Å; F121-N147 PolarHBondContact O-ND2 3.25Å | ||
| 122 | S | 95.2 | Very high | 93 | Very high | 12 Ų | 12 | 40 Ų | 40 | 8% | 0.084 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | 145 | -178 | -51.9 | 0 | 0 | 0 | 0 | 112.5 | K98 N99 N120 N124 S143 G145 | K98-S122 CarbonylContact C-O 3.31Å; K98-S122 WeakPolarHBondContact CA-O 3.35Å; K98-S122 WeakPolarHBondContact CG-O 3.29Å; N99-S122 PolarHBondContact N-O 3.17Å; N120-S122 VanDerWaalsContact OD1-CB 3.24Å; N120-S122 WeakPolarHBondContact OD1-CB 3.04Å; N120-S122 PolarHBondContact OD1-N 3.22Å; N120-S122 PolarHBondContact OD1-OG 3.24Å; S122-N124 PolarHBondContact O-ND2 3.11Å; S122-S143 PolarHBondContact N-O 2.78Å; S122-G145 CarbonylContact C-O 3.33Å; S122-G145 WeakPolarHBondContact CA-O 3.3Å; S122-G145 VanDerWaalsContact CB-O 3.3Å; S122-G145 WeakPolarHBondContact CB-O 3.17Å; S122-G145 PolarHBondContact OG-N 3.08Å |
| 123 | G | 93.3 | Very high | 93.1 | Very high | 25 Ų | 25 | 39.2 Ų | 39.2 | 26% | 0.258 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | 34.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N99 G145 G146 | N99-G123 VanDerWaalsContact CA-O 3.29Å; N99-G123 WeakPolarHBondContact CA-O 3.17Å; G123-G145 PolarHBondContact N-O 3.18Å; G123-G146 VanDerWaalsContact CA-O 3.32Å; G123-G146 WeakPolarHBondContact CA-O 3.08Å |
| 124 | N | 95 | Very high | 93.1 | Very high | 12 Ų | 12 | 35.9 Ų | 35.9 | 6% | 0.064 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -109.3 | -150.5 | 177.6 | -83.4 | -75.2 | 0 | 0 | 0 | 110.5 | A97 N100 R101 L102 F121 S122 F126 N147 | A97-N124 PolarHBondContact O-ND2 2.96Å; N100-N124 VanDerWaalsContact CA-OD1 3.23Å; N100-N124 WeakPolarHBondContact CA-OD1 3.16Å; N100-N124 WeakPolarHBondContact CB-OD1 3.14Å; N100-N124 PolarHBondContact N-OD1 2.7Å; N100-N124 PolarHBondContact O-OD1 3.09Å; R101-N124 PolarHBondContact N-OD1 2.99Å; L102-N124 HydrophobicContact CB-CB 4.31Å; L102-N124 WeakPolarHBondContact CB-OD1 3.4Å; L102-N124 WeakPolarHBondContact CG-OD1 3.45Å; L102-N124 PolarHBondContact N-OD1 3Å; F121-N124 PolarHBondContact O-ND2 2.98Å; S122-N124 PolarHBondContact O-ND2 3.11Å; N124-F126 HydrophobicContact CB-CD2 3.61Å; N124-F126 HydrophobicContact CB-CE2 3.62Å; N124-N147 WeakPolarHBondContact CA-OD1 3.47Å; N124-N147 WeakPolarHBondContact CB-OD1 3.48Å; N124-N147 PolarHBondContact N-OD1 3.29Å; N124-N147 VanDerWaalsContact N-OD1 3.13Å; N124-N147 PolarHBondContact O-OD1 2.8Å |
| 125 | R | 94.8 | Very high | 93.1 | Very high | 127 Ų | 127 | 41.5 Ų | 41.5 | 48% | 0.479 | 20% | 0.203 | S | C | . | . | trans | -125.1 | 14 | -176.7 | -58.7 | 177.3 | 174.4 | -171.8 | -5.8 | 113.6 | L102 Q127 N147 | L102-R125 CarbonylContact O-C 3.12Å; L102-R125 WeakPolarHBondContact O-CA 3.13Å; L102-R125 WeakPolarHBondContact O-CB 3.38Å; L102-R125 PolarHBondContact O-N 3.35Å; R125-Q127 PolarHBondContact O-N 2.84Å; R125-N147 PolarHBondContact N-OD1 3.33Å | ||
| 126 | F | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -55.9 | 127.7 | 179.7 | -66.6 | -80.7 | 0 | 0 | 0 | 111.4 | L102 D103 F121 N124 P130 I144 N147 R148 L149 | L102-F126 HydrophobicContact CB-CE2 3.81Å; L102-F126 HydrophobicContact CB-CZ 3.71Å; D103-F126 VanDerWaalsContact C-CD1 3.49Å; D103-F126 WeakPolarHBondContact O-CE1 3.17Å; F121-F126 HydrophobicContact CB-CD2 4.26Å; F121-F126 HydrophobicContact CB-CE2 3.68Å; F121-F126 HydrophobicContact CB-CZ 4.37Å; F121-F126 HydrophobicContact CD1-CE2 4.26Å; F121-F126 HydrophobicContact CD1-CZ 4.36Å; F121-F126 HydrophobicContact CD2-CE2 4.26Å; F121-F126 HydrophobicContact CD2-CZ 4.11Å; F121-F126 HydrophobicContact CE2-CZ 4.47Å; F121-F126 AromaticContact CG-CE2 3.85Å; F121-F126 HydrophobicContact CG-CE2 3.85Å; F121-F126 HydrophobicContact CG-CZ 4.06Å; N124-F126 HydrophobicContact CB-CD2 3.61Å; N124-F126 HydrophobicContact CB-CE2 3.62Å; F126-P130 HydrophobicContact CD1-CG 3.78Å; F126-P130 HydrophobicContact CE1-CG 3.63Å; F126-I144 HydrophobicContact CB-CG2 4.48Å; F126-I144 HydrophobicContact CD2-CG2 4.18Å; F126-I144 HydrophobicContact CG-CG2 4.48Å; F126-N147 HydrophobicContact CB-CB 4.36Å; F126-N147 WeakPolarHBondContact CD2-OD1 3.29Å; F126-N147 PolarHBondContact N-OD1 3.36Å; F126-R148 CarbonylContact O-C 3.14Å; F126-R148 VanDerWaalsContact O-C 3.3Å; F126-R148 WeakPolarHBondContact O-CA 3.24Å; F126-R148 PolarHBondContact O-N 2.91Å; F126-L149 HydrophobicContact CB-CD2 3.91Å; F126-L149 PolarHBondContact O-N 3.43Å | ||
| 127 | Q | 93.1 | Very high | 92.9 | Very high | 85 Ų | 85 | 41.9 Ų | 41.9 | 40% | 0.397 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -95.4 | -27.3 | 171.7 | -66.4 | -174 | 75.5 | 0 | 0 | 112.1 | E104 R125 R148 L149 K150 | E104-Q127 PolarHBondContact OE2-N 3.16Å; R125-Q127 PolarHBondContact O-N 2.84Å; Q127-R148 HydrophobicContact CG-CB 4.44Å; Q127-L149 VanDerWaalsContact O-CA 3.31Å; Q127-L149 WeakPolarHBondContact O-CA 3.32Å; Q127-K150 PolarHBondContact O-N 2.87Å; Q127-K150 VanDerWaalsContact OE1-NZ 3.07Å |
| 128 | E | 92.6 | Very high | 92.8 | Very high | 107 Ų | 107 | 45.9 Ų | 45.9 | 50% | 0.5 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -134.1 | 158.6 | 174.7 | -63.5 | -177.7 | -176.1 | 0 | 0 | 109.7 | P130 L149 | E128-P130 WeakPolarHBondContact O-CD 3.38Å; E128-L149 WeakPolarHBondContact O-CD2 3.12Å |
| 129 | I | 91.3 | Very high | 92.7 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | trans | -78.5 | 121.4 | 174.7 | -60 | -173.8 | 0 | 0 | 0 | 107.6 | L131 C133 I144 L149 I152 P153 L167 | I129-L131 PolarHBondContact O-N 3.4Å; I129-C133 HydrophobicContact CG2-CB 4.42Å; I129-I144 HydrophobicContact CB-CD1 4.44Å; I129-I144 HydrophobicContact CD1-CD1 4.09Å; I129-I144 HydrophobicContact CG1-CD1 3.98Å; I129-I144 HydrophobicContact CG2-CD1 3.88Å; I129-L149 HydrophobicContact CD1-CD1 4.15Å; I129-L149 HydrophobicContact CG1-CD1 3.8Å; I129-L149 HydrophobicContact CG1-CD2 3.9Å; I129-L149 HydrophobicContact CG1-CG 4.48Å; I129-I152 HydrophobicContact CD1-CG2 4.4Å; I129-P153 HydrophobicContact CB-CG 4Å; I129-P153 HydrophobicContact CG2-CG 4.4Å; I129-L167 HydrophobicContact CD1-CD1 4.37Å; I129-L167 HydrophobicContact CD1-CD2 3.98Å | ||
| 130 | P | 89.5 | Confident | 92.7 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 5% | 0.045 | 23% | 0.226 | C | C | . | . | trans | -62.8 | 135.8 | -176 | -23.9 | 34.9 | 0 | 0 | 0 | 112.4 | E104 L107 F126 E128 Q132 C133 | E104-P130 HydrophobicContact CB-CG 4.39Å; L107-P130 HydrophobicContact CD1-CB 3.77Å; L107-P130 HydrophobicContact CD1-CG 3.73Å; F126-P130 HydrophobicContact CD1-CG 3.78Å; F126-P130 HydrophobicContact CE1-CG 3.63Å; E128-P130 WeakPolarHBondContact O-CD 3.38Å; P130-Q132 PolarHBondContact O-N 3.06Å; P130-C133 WeakPolarHBondContact O-CB 3.07Å; P130-C133 PolarHBondContact O-N 2.93Å | ||
| 131 | L | 88.4 | Confident | 92.8 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 48% | 0.476 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -12.7 | 176.3 | -62.6 | 175.6 | 0 | 0 | 0 | 113.6 | I129 T134 E155 | I129-L131 PolarHBondContact O-N 3.4Å; L131-T134 PolarHBondContact O-OG1 3.25Å; L131-T134 VanDerWaalsContact O-OG1 3.06Å; L131-E155 HydrophobicContact CD2-CG 4.45Å |
| 132 | Q | 90.5 | Very high | 92.8 | Very high | 38 Ų | 38 | 47.1 Ų | 47.1 | 18% | 0.178 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -31.6 | 170.8 | -59.9 | 89.2 | -45.1 | 0 | 0 | 111.6 | L107 F111 G112 P130 | L107-Q132 PolarHBondContact O-NE2 2.62Å; F111-Q132 HydrophobicContact CB-CB 4.08Å; F111-Q132 HydrophobicContact CD1-CB 4.24Å; G112-Q132 WeakPolarHBondContact CA-O 3.37Å; P130-Q132 PolarHBondContact O-N 3.06Å |
| 133 | C | 90.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -35.6 | 178.2 | -63 | 0 | 0 | 0 | 0 | 111.9 | I129 P130 K135 L136 | I129-C133 HydrophobicContact CG2-CB 4.42Å; P130-C133 WeakPolarHBondContact O-CB 3.07Å; P130-C133 PolarHBondContact O-N 2.93Å; C133-K135 PolarHBondContact O-N 2.94Å; C133-L136 WeakPolarHBondContact O-CB 3.19Å; C133-L136 WeakPolarHBondContact O-CG 3.45Å; C133-L136 PolarHBondContact O-N 3.3Å |
| 134 | T | 87.9 | Confident | 92.9 | Very high | 5 Ų | 5 | 46 Ų | 46 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -12.1 | 179.3 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | L131 P153 E155 L159 | L131-T134 PolarHBondContact O-OG1 3.25Å; L131-T134 VanDerWaalsContact O-OG1 3.06Å; T134-P153 HydrophobicContact CG2-CG 4.19Å; T134-E155 WeakPolarHBondContact CB-O 3.5Å; T134-E155 HydrophobicContact CG2-CB 4.06Å; T134-L159 WeakPolarHBondContact O-CD2 3.32Å |
| 135 | K | 91.4 | Very high | 92.9 | Very high | 127 Ų | 127 | 45.6 Ų | 45.6 | 55% | 0.552 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -6.2 | 175.5 | -66.6 | 175.7 | -175.4 | -178.5 | 0 | 113.9 | C133 L137 | C133-K135 PolarHBondContact O-N 2.94Å; K135-L137 VanDerWaalsContact C-N 3.31Å; K135-L137 PolarHBondContact O-N 3.17Å |
| 136 | L | 92.1 | Very high | 92.8 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | trans | -78.7 | 75 | -177.9 | -61.1 | 173 | 0 | 0 | 0 | 111.1 | F111 L114 L116 L119 C133 R138 L139 L159 | F111-L136 HydrophobicContact CE1-CD1 4.05Å; L114-L136 HydrophobicContact CB-CD2 4.19Å; L114-L136 VanDerWaalsContact O-CD2 3.24Å; L114-L136 WeakPolarHBondContact O-CD2 3.26Å; L116-L136 HydrophobicContact CB-CD1 4.47Å; L116-L136 HydrophobicContact CB-CD2 4.48Å; L116-L136 HydrophobicContact CD1-CD1 4.06Å; L116-L136 HydrophobicContact CD1-CD2 4.3Å; L119-L136 HydrophobicContact CD2-CD1 3.65Å; C133-L136 WeakPolarHBondContact O-CB 3.19Å; C133-L136 WeakPolarHBondContact O-CG 3.45Å; C133-L136 PolarHBondContact O-N 3.3Å; L136-R138 PolarHBondContact O-N 2.79Å; L136-L139 HydrophobicContact CB-CB 3.95Å; L136-L139 HydrophobicContact CB-CD2 4.41Å; L136-L139 HydrophobicContact CD1-CD1 4.47Å; L136-L139 HydrophobicContact CD1-CD2 4.29Å; L136-L139 WeakPolarHBondContact O-CB 3.02Å; L136-L139 PolarHBondContact O-N 3.05Å; L136-L159 HydrophobicContact CB-CD2 4.44Å; L136-L159 WeakPolarHBondContact O-CD2 3.44Å | ||
| 137 | L | 90.2 | Very high | 92.8 | Very high | 105 Ų | 105 | 42.2 Ų | 42.2 | 55% | 0.55 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.5 | -171.2 | -57.1 | -179.7 | 0 | 0 | 0 | 115.4 | K135 Y158 S161 | K135-L137 VanDerWaalsContact C-N 3.31Å; K135-L137 PolarHBondContact O-N 3.17Å; L137-Y158 WeakPolarHBondContact CD2-O 3.46Å; L137-S161 WeakPolarHBondContact O-CB 3.38Å; L137-S161 PolarHBondContact O-OG 3.43Å |
| 138 | R | 93.7 | Very high | 92.8 | Very high | 136 Ų | 136 | 45.5 Ų | 45.5 | 51% | 0.513 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 3.4 | 177.6 | -70 | -165.1 | -178.4 | 160.7 | 8.2 | 114.5 | L116 L136 Q140 | L116-R138 CarbonylContact O-C 3.31Å; L116-R138 VanDerWaalsContact O-C 3.3Å; L136-R138 PolarHBondContact O-N 2.79Å; R138-Q140 PolarHBondContact O-N 3.07Å |
| 139 | L | 95.6 | Very high | 93 | Very high | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | trans | -69.9 | 119.6 | -174.9 | -165.6 | 71.3 | 0 | 0 | 0 | 110.8 | L116 L119 L136 L142 L159 S161 L162 | L116-L139 HydrophobicContact CB-CD1 4.19Å; L116-L139 VanDerWaalsContact O-CA 3.29Å; L116-L139 WeakPolarHBondContact O-CA 3.49Å; L116-L139 PolarHBondContact O-N 3.34Å; L119-L139 HydrophobicContact CB-CD1 3.64Å; L119-L139 HydrophobicContact CB-CD2 4.38Å; L136-L139 HydrophobicContact CB-CB 3.95Å; L136-L139 HydrophobicContact CB-CD2 4.41Å; L136-L139 HydrophobicContact CD1-CD1 4.47Å; L136-L139 HydrophobicContact CD1-CD2 4.29Å; L136-L139 WeakPolarHBondContact O-CB 3.02Å; L136-L139 PolarHBondContact O-N 3.05Å; L139-L142 HydrophobicContact CD2-CB 3.77Å; L139-L142 HydrophobicContact CD2-CD1 3.99Å; L139-L142 HydrophobicContact CD2-CD2 4.19Å; L139-L142 HydrophobicContact CD2-CG 4.19Å; L139-L159 HydrophobicContact CB-CD2 4.49Å; L139-L159 HydrophobicContact CD2-CD1 4.38Å; L139-S161 CarbonylContact O-C 3.24Å; L139-S161 VanDerWaalsContact O-C 3.3Å; L139-L162 HydrophobicContact CD2-CD1 4.3Å; L139-L162 HydrophobicContact CG-CD1 4.18Å; L139-L162 VanDerWaalsContact O-CA 3.24Å; L139-L162 WeakPolarHBondContact O-CA 3.06Å; L139-L162 WeakPolarHBondContact O-CD1 3.41Å; L139-L162 PolarHBondContact O-N 2.98Å | ||
| 140 | Q | 96.2 | Very high | 93 | Very high | 83 Ų | 83 | 44.9 Ų | 44.9 | 39% | 0.388 | 22% | 0.216 | S | C | . | . | trans | -96.8 | -35.2 | 177.9 | -67.1 | 175 | -26.7 | 0 | 0 | 111.7 | E117 R138 E163 M164 | E117-Q140 PolarHBondContact O-N 2.78Å; R138-Q140 PolarHBondContact O-N 3.07Å; Q140-E163 PolarHBondContact O-N 2.93Å; Q140-M164 PolarHBondContact O-N 2.82Å | ||
| 141 | S | 96.9 | Very high | 93.2 | Very high | 21 Ų | 21 | 47 Ų | 47 | 15% | 0.147 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 119.2 | 179.7 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | E117 L119 M164 | E117-S141 PolarHBondContact O-N 2.81Å; E117-S141 VanDerWaalsContact O-N 3.07Å; L119-S141 PolarHBondContact N-O 3.09Å; S141-M164 WeakPolarHBondContact CA-O 3.2Å |
| 142 | L | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 117.9 | 174.7 | -177.9 | 53.4 | 0 | 0 | 0 | 110.4 | L119 L139 I144 I156 L159 L162 M164 L165 Y166 | L119-L142 HydrophobicContact CB-CD1 4.23Å; L119-L142 HydrophobicContact CD2-CD1 4.06Å; L119-L142 HydrophobicContact CG-CD1 4.2Å; L139-L142 HydrophobicContact CD2-CB 3.77Å; L139-L142 HydrophobicContact CD2-CD1 3.99Å; L139-L142 HydrophobicContact CD2-CD2 4.19Å; L139-L142 HydrophobicContact CD2-CG 4.19Å; L142-I144 HydrophobicContact CD1-CD1 3.87Å; L142-I144 HydrophobicContact CD1-CG1 3.73Å; L142-I144 HydrophobicContact CD2-CD1 4.18Å; L142-I144 HydrophobicContact CG-CD1 4.1Å; L142-I144 HydrophobicContact CG-CG1 4Å; L142-I156 HydrophobicContact CD2-CD1 4.42Å; L142-L159 HydrophobicContact CD2-CD1 3.96Å; L142-L162 HydrophobicContact CB-CD1 3.82Å; L142-M164 PolarHBondContact N-O 3.32Å; L142-L165 HydrophobicContact CB-CD1 4.08Å; L142-L165 HydrophobicContact CD2-CD1 4.06Å; L142-L165 HydrophobicContact CG-CD1 4.11Å; L142-Y166 PolarHBondContact O-N 2.87Å |
| 143 | S | 96.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 112.2 | 177 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | L119 N120 F121 S122 Y166 | L119-S143 PolarHBondContact O-N 3.47Å; N120-S143 CarbonylContact C-O 3.21Å; N120-S143 WeakPolarHBondContact CA-O 3.35Å; F121-S143 PolarHBondContact N-O 3.25Å; S122-S143 PolarHBondContact N-O 2.78Å; S143-Y166 CarbonylContact C-O 3.33Å; S143-Y166 WeakPolarHBondContact CA-O 3.4Å |
| 144 | I | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -129 | 31.5 | 176.8 | -35.2 | 177.6 | 0 | 0 | 0 | 110.3 | F121 F126 I129 L142 N147 L149 Y166 L167 N170 | F121-I144 HydrophobicContact CB-CG2 4.19Å; F126-I144 HydrophobicContact CB-CG2 4.48Å; F126-I144 HydrophobicContact CD2-CG2 4.18Å; F126-I144 HydrophobicContact CG-CG2 4.48Å; I129-I144 HydrophobicContact CB-CD1 4.44Å; I129-I144 HydrophobicContact CD1-CD1 4.09Å; I129-I144 HydrophobicContact CG1-CD1 3.98Å; I129-I144 HydrophobicContact CG2-CD1 3.88Å; L142-I144 HydrophobicContact CD1-CD1 3.87Å; L142-I144 HydrophobicContact CD1-CG1 3.73Å; L142-I144 HydrophobicContact CD2-CD1 4.18Å; L142-I144 HydrophobicContact CG-CD1 4.1Å; L142-I144 HydrophobicContact CG-CG1 4Å; I144-N147 HydrophobicContact CG2-CB 4.42Å; I144-N147 WeakPolarHBondContact CG2-ND2 3.49Å; I144-N147 PolarHBondContact O-ND2 3.29Å; I144-L149 HydrophobicContact CB-CD1 4.03Å; I144-L149 HydrophobicContact CG2-CD1 3.9Å; I144-Y166 PolarHBondContact N-O 2.96Å; I144-L167 HydrophobicContact CB-CD2 3.94Å; I144-L167 HydrophobicContact CD1-CD2 4.44Å; I144-L167 HydrophobicContact CG1-CD2 4.26Å; I144-N170 PolarHBondContact O-ND2 3.08Å | ||
| 145 | G | 93.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | trans | -72 | 159.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S122 G123 N147 Y166 G168 | S122-G145 CarbonylContact C-O 3.33Å; S122-G145 WeakPolarHBondContact CA-O 3.3Å; S122-G145 VanDerWaalsContact CB-O 3.3Å; S122-G145 WeakPolarHBondContact CB-O 3.17Å; S122-G145 PolarHBondContact OG-N 3.08Å; G123-G145 PolarHBondContact N-O 3.18Å; G145-N147 VanDerWaalsContact C-N 3.35Å; G145-N147 PolarHBondContact O-N 2.93Å; G145-N147 PolarHBondContact O-ND2 2.87Å; G145-N147 VanDerWaalsContact O-ND2 3.17Å; G145-Y166 PolarHBondContact N-O 2.92Å; G145-G168 CarbonylContact C-O 3.38Å; G145-G168 VanDerWaalsContact C-O 3.32Å; G145-G168 WeakPolarHBondContact CA-O 3.43Å | ||
| 146 | G | 92.9 | Very high | 93.7 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 43% | 0.433 | 22% | 0.215 | S | C | . | . | S | Bend | trans | 66.1 | 34.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | G123 G168 G169 | G123-G146 VanDerWaalsContact CA-O 3.32Å; G123-G146 WeakPolarHBondContact CA-O 3.08Å; G146-G168 PolarHBondContact N-O 2.95Å; G146-G169 CarbonylContact C-O 3.36Å; G146-G169 WeakPolarHBondContact CA-O 3.43Å; G146-G169 PolarHBondContact N-O 3.14Å; G146-G169 VanDerWaalsContact N-O 3.09Å |
| 147 | N | 94.7 | Very high | 93.7 | Very high | 13 Ų | 13 | 44.3 Ų | 44.3 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -113.6 | -156.8 | 179 | -82.3 | -79.8 | 0 | 0 | 0 | 109.9 | F121 N124 R125 F126 I144 G145 L149 G169 N170 | F121-N147 PolarHBondContact O-ND2 3.25Å; N124-N147 WeakPolarHBondContact CA-OD1 3.47Å; N124-N147 WeakPolarHBondContact CB-OD1 3.48Å; N124-N147 PolarHBondContact N-OD1 3.29Å; N124-N147 VanDerWaalsContact N-OD1 3.13Å; N124-N147 PolarHBondContact O-OD1 2.8Å; R125-N147 PolarHBondContact N-OD1 3.33Å; F126-N147 HydrophobicContact CB-CB 4.36Å; F126-N147 WeakPolarHBondContact CD2-OD1 3.29Å; F126-N147 PolarHBondContact N-OD1 3.36Å; I144-N147 HydrophobicContact CG2-CB 4.42Å; I144-N147 WeakPolarHBondContact CG2-ND2 3.49Å; I144-N147 PolarHBondContact O-ND2 3.29Å; G145-N147 VanDerWaalsContact C-N 3.35Å; G145-N147 PolarHBondContact O-N 2.93Å; G145-N147 PolarHBondContact O-ND2 2.87Å; G145-N147 VanDerWaalsContact O-ND2 3.17Å; N147-L149 HydrophobicContact CB-CG 4.21Å; N147-G169 PolarHBondContact N-O 2.89Å; N147-N170 WeakPolarHBondContact CA-OD1 3.23Å; N147-N170 WeakPolarHBondContact CB-OD1 3.2Å; N147-N170 PolarHBondContact N-OD1 2.91Å; N147-N170 PolarHBondContact O-OD1 3.32Å |
| 148 | R | 94.4 | Very high | 93.8 | Very high | 155 Ų | 155 | 45.2 Ų | 45.2 | 59% | 0.585 | 22% | 0.224 | S | C | * | . | trans | -121.5 | 26.9 | 178.1 | -60 | -179.2 | -179.4 | -170.7 | -2.1 | 111.8 | F126 Q127 K150 N170 L171 | F126-R148 CarbonylContact O-C 3.14Å; F126-R148 VanDerWaalsContact O-C 3.3Å; F126-R148 WeakPolarHBondContact O-CA 3.24Å; F126-R148 PolarHBondContact O-N 2.91Å; Q127-R148 HydrophobicContact CG-CB 4.44Å; R148-K150 PolarHBondContact O-N 3.32Å; R148-N170 PolarHBondContact N-OD1 2.92Å; R148-L171 HydrophobicContact CB-CD1 4.28Å | ||
| 149 | L | 95 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -59.9 | 124.7 | -175.6 | -61.6 | 178.1 | 0 | 0 | 0 | 110.8 | F126 Q127 E128 I129 I144 N147 L167 N170 L171 I172 | F126-L149 HydrophobicContact CB-CD2 3.91Å; F126-L149 PolarHBondContact O-N 3.43Å; Q127-L149 VanDerWaalsContact O-CA 3.31Å; Q127-L149 WeakPolarHBondContact O-CA 3.32Å; E128-L149 WeakPolarHBondContact O-CD2 3.12Å; I129-L149 HydrophobicContact CD1-CD1 4.15Å; I129-L149 HydrophobicContact CG1-CD1 3.8Å; I129-L149 HydrophobicContact CG1-CD2 3.9Å; I129-L149 HydrophobicContact CG1-CG 4.48Å; I144-L149 HydrophobicContact CB-CD1 4.03Å; I144-L149 HydrophobicContact CG2-CD1 3.9Å; N147-L149 HydrophobicContact CB-CG 4.21Å; L149-L167 HydrophobicContact CD1-CD2 3.81Å; L149-N170 HydrophobicContact CB-CB 4.12Å; L149-N170 WeakPolarHBondContact CB-OD1 3.31Å; L149-N170 WeakPolarHBondContact CG-OD1 3.36Å; L149-N170 PolarHBondContact N-OD1 3.26Å; L149-L171 CarbonylContact O-C 3.32Å; L149-L171 VanDerWaalsContact O-CA 3.23Å; L149-L171 WeakPolarHBondContact O-CA 3.49Å; L149-L171 WeakPolarHBondContact O-CB 3.14Å; L149-L171 PolarHBondContact O-N 3.39Å; L149-I172 HydrophobicContact CB-CD1 4.42Å; L149-I172 HydrophobicContact CB-CG1 4.11Å; L149-I172 PolarHBondContact O-N 2.85Å; L149-I172 VanDerWaalsContact O-N 3.08Å | ||
| 150 | K | 92.8 | Very high | 93.6 | Very high | 101 Ų | 101 | 42.1 Ų | 42.1 | 44% | 0.439 | 22% | 0.221 | S | C | . | . | trans | -91.8 | -29.7 | 179.3 | -62.4 | 172.1 | -167.1 | 148.8 | 0 | 113.2 | Q127 R148 I172 S173 | Q127-K150 PolarHBondContact O-N 2.87Å; Q127-K150 VanDerWaalsContact OE1-NZ 3.07Å; R148-K150 PolarHBondContact O-N 3.32Å; K150-I172 WeakPolarHBondContact O-CA 3.47Å; K150-S173 PolarHBondContact O-N 2.94Å | ||
| 151 | S | 92.5 | Very high | 93.5 | Very high | 52 Ų | 52 | 40 Ų | 40 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | trans | -149.4 | 166.2 | -176.3 | 54.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 152 | I | 92.9 | Very high | 93.4 | Very high | 10 Ų | 10 | 39 Ų | 39 | 5% | 0.051 | 21% | 0.208 | C | C | . | . | trans | -107.2 | 130.6 | 169 | -55.7 | 169.8 | 0 | 0 | 0 | 106.1 | I129 I156 L167 I172 P176 L190 | I129-I152 HydrophobicContact CD1-CG2 4.4Å; I152-I156 HydrophobicContact CG2-CB 4.12Å; I152-I156 HydrophobicContact CG2-CG1 4.22Å; I152-I156 HydrophobicContact CG2-CG2 4.12Å; I152-L167 HydrophobicContact CD1-CD1 3.53Å; I152-L167 HydrophobicContact CG1-CD1 3.78Å; I152-I172 HydrophobicContact CD1-CD1 4.29Å; I152-I172 HydrophobicContact CD1-CG2 4.42Å; I152-I172 HydrophobicContact CG1-CD1 4.03Å; I152-I172 HydrophobicContact CG1-CG2 4.27Å; I152-P176 HydrophobicContact CB-CG 3.78Å; I152-P176 HydrophobicContact CG2-CG 3.86Å; I152-L190 HydrophobicContact CD1-CD2 4.05Å | ||
| 153 | P | 92.4 | Very high | 93.4 | Very high | 24 Ų | 24 | 43.1 Ų | 43.1 | 16% | 0.156 | 23% | 0.227 | C | C | . | . | trans | -69.3 | 151.4 | 178.9 | 29.7 | -34.9 | 0 | 0 | 0 | 111.3 | I129 T134 E155 I156 | I129-P153 HydrophobicContact CB-CG 4Å; I129-P153 HydrophobicContact CG2-CG 4.4Å; T134-P153 HydrophobicContact CG2-CG 4.19Å; P153-E155 WeakPolarHBondContact CB-OE2 3.13Å; P153-E155 PolarHBondContact O-N 3.35Å; P153-I156 WeakPolarHBondContact O-CB 3.47Å; P153-I156 WeakPolarHBondContact O-CG2 3.49Å; P153-I156 PolarHBondContact O-N 3.26Å | ||
| 154 | A | 90.4 | Very high | 93.4 | Very high | 41 Ų | 41 | 45.9 Ų | 45.9 | 34% | 0.339 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -63.4 | -33.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I156 E157 E178 | A154-I156 PolarHBondContact O-N 2.82Å; A154-E157 PolarHBondContact O-N 2.83Å; A154-E178 HydrophobicContact CB-CB 4.46Å; A154-E178 HydrophobicContact CB-CG 3.98Å; A154-E178 WeakPolarHBondContact O-CB 3.37Å |
| 155 | E | 92.6 | Very high | 93.4 | Very high | 73 Ų | 73 | 45.9 Ų | 45.9 | 34% | 0.341 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -60.6 | -4.4 | 177.1 | -61.1 | 89.5 | 156.5 | 0 | 0 | 114 | L131 T134 P153 E157 Y158 | L131-E155 HydrophobicContact CD2-CG 4.45Å; T134-E155 WeakPolarHBondContact CB-O 3.5Å; T134-E155 HydrophobicContact CG2-CB 4.06Å; P153-E155 WeakPolarHBondContact CB-OE2 3.13Å; P153-E155 PolarHBondContact O-N 3.35Å; E155-E157 PolarHBondContact O-N 3.29Å; E155-Y158 HydrophobicContact CB-CD2 3.96Å; E155-Y158 HydrophobicContact CB-CE2 3.93Å; E155-Y158 HydrophobicContact CG-CD2 4.43Å; E155-Y158 HydrophobicContact CG-CE2 3.91Å; E155-Y158 WeakPolarHBondContact O-CD2 3.19Å; E155-Y158 PolarHBondContact O-N 3.2Å |
| 156 | I | 92.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -56.8 | -27.8 | 168.8 | -159.2 | 73.5 | 0 | 0 | 0 | 111.8 | L142 I152 P153 A154 Y158 L159 L179 L182 | L142-I156 HydrophobicContact CD2-CD1 4.42Å; I152-I156 HydrophobicContact CG2-CB 4.12Å; I152-I156 HydrophobicContact CG2-CG1 4.22Å; I152-I156 HydrophobicContact CG2-CG2 4.12Å; P153-I156 WeakPolarHBondContact O-CB 3.47Å; P153-I156 WeakPolarHBondContact O-CG2 3.49Å; P153-I156 PolarHBondContact O-N 3.26Å; A154-I156 PolarHBondContact O-N 2.82Å; I156-Y158 PolarHBondContact O-N 2.71Å; I156-Y158 VanDerWaalsContact O-N 3.13Å; I156-L159 HydrophobicContact CD1-CD1 3.72Å; I156-L159 HydrophobicContact CG1-CD1 4.5Å; I156-L159 WeakPolarHBondContact O-CB 3.34Å; I156-L159 PolarHBondContact O-N 3.19Å; I156-L159 VanDerWaalsContact O-N 3.1Å; I156-L179 HydrophobicContact CG1-CD1 4.06Å; I156-L179 HydrophobicContact CG2-CB 4.4Å; I156-L179 HydrophobicContact CG2-CD1 3.98Å; I156-L182 WeakPolarHBondContact O-CD2 3.3Å |
| 157 | E | 91.7 | Very high | 93.7 | Very high | 56 Ų | 56 | 48 Ų | 48 | 26% | 0.262 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -59.8 | -22.1 | 178.1 | 67.6 | 175.3 | -167.2 | 0 | 0 | 114.3 | A154 E155 L159 E178 H181 | A154-E157 PolarHBondContact O-N 2.83Å; E155-E157 PolarHBondContact O-N 3.29Å; E157-L159 PolarHBondContact O-N 3.38Å; E157-E178 HydrophobicContact CB-CB 4.28Å; E157-H181 HydrophobicContact CB-CB 3.99Å; E157-H181 IonicContact OE2-CE1 3.85Å; E157-H181 IonicContact OE2-CG 3.92Å; E157-H181 IonicContact OE2-ND1 3.29Å; E157-H181 PolarHBondContact OE2-ND1 2.85Å |
| 158 | Y | 92.5 | Very high | 93.6 | Very high | 124 Ų | 124 | 47.6 Ų | 47.6 | 49% | 0.486 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -73.9 | -13.1 | 178.1 | -57.2 | -37.2 | 0 | 0 | 0 | 113.6 | L137 E155 I156 T160 | L137-Y158 WeakPolarHBondContact CD2-O 3.46Å; E155-Y158 HydrophobicContact CB-CD2 3.96Å; E155-Y158 HydrophobicContact CB-CE2 3.93Å; E155-Y158 HydrophobicContact CG-CD2 4.43Å; E155-Y158 HydrophobicContact CG-CE2 3.91Å; E155-Y158 WeakPolarHBondContact O-CD2 3.19Å; E155-Y158 PolarHBondContact O-N 3.2Å; I156-Y158 PolarHBondContact O-N 2.71Å; I156-Y158 VanDerWaalsContact O-N 3.13Å; Y158-T160 PolarHBondContact O-N 2.94Å |
| 159 | L | 93 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -79.4 | 55.6 | 176 | -60.2 | -176.2 | 0 | 0 | 0 | 111.7 | T134 L136 L139 L142 I156 E157 S161 L162 L182 | T134-L159 WeakPolarHBondContact O-CD2 3.32Å; L136-L159 HydrophobicContact CB-CD2 4.44Å; L136-L159 WeakPolarHBondContact O-CD2 3.44Å; L139-L159 HydrophobicContact CB-CD2 4.49Å; L139-L159 HydrophobicContact CD2-CD1 4.38Å; L142-L159 HydrophobicContact CD2-CD1 3.96Å; I156-L159 HydrophobicContact CD1-CD1 3.72Å; I156-L159 HydrophobicContact CG1-CD1 4.5Å; I156-L159 WeakPolarHBondContact O-CB 3.34Å; I156-L159 PolarHBondContact O-N 3.19Å; I156-L159 VanDerWaalsContact O-N 3.1Å; E157-L159 PolarHBondContact O-N 3.38Å; L159-S161 PolarHBondContact O-N 3.37Å; L159-L162 HydrophobicContact CB-CB 4.04Å; L159-L162 HydrophobicContact CB-CD2 4.44Å; L159-L162 HydrophobicContact CD1-CD2 4.24Å; L159-L162 WeakPolarHBondContact O-CB 3.05Å; L159-L162 PolarHBondContact O-N 3.07Å; L159-L182 HydrophobicContact CB-CD2 4.32Å; L159-L182 VanDerWaalsContact O-CD2 3.3Å; L159-L182 WeakPolarHBondContact O-CD2 3.24Å | ||
| 160 | T | 90.6 | Very high | 93.6 | Very high | 73 Ų | 73 | 42 Ų | 42 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.8 | -171.5 | 56.4 | 0 | 0 | 0 | 0 | 114.7 | Y158 P183 Y184 | Y158-T160 PolarHBondContact O-N 2.94Å; T160-P183 WeakPolarHBondContact O-CG 3.27Å; T160-Y184 VanDerWaalsContact O-CD2 3.31Å; T160-Y184 WeakPolarHBondContact O-CD2 3.41Å |
| 161 | S | 94 | Very high | 93.7 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 27% | 0.266 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 0.5 | 175.3 | -50.4 | 0 | 0 | 0 | 0 | 114.9 | L137 L139 L159 E163 | L137-S161 WeakPolarHBondContact O-CB 3.38Å; L137-S161 PolarHBondContact O-OG 3.43Å; L139-S161 CarbonylContact O-C 3.24Å; L139-S161 VanDerWaalsContact O-C 3.3Å; L159-S161 PolarHBondContact O-N 3.37Å; S161-E163 PolarHBondContact O-N 3.05Å |
| 162 | L | 95.9 | Very high | 93.9 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | trans | -75.2 | 122.4 | -168.2 | -163.2 | 74.5 | 0 | 0 | 0 | 112.7 | L139 L142 L159 L165 L182 Y184 L185 | L139-L162 HydrophobicContact CD2-CD1 4.3Å; L139-L162 HydrophobicContact CG-CD1 4.18Å; L139-L162 VanDerWaalsContact O-CA 3.24Å; L139-L162 WeakPolarHBondContact O-CA 3.06Å; L139-L162 WeakPolarHBondContact O-CD1 3.41Å; L139-L162 PolarHBondContact O-N 2.98Å; L142-L162 HydrophobicContact CB-CD1 3.82Å; L159-L162 HydrophobicContact CB-CB 4.04Å; L159-L162 HydrophobicContact CB-CD2 4.44Å; L159-L162 HydrophobicContact CD1-CD2 4.24Å; L159-L162 WeakPolarHBondContact O-CB 3.05Å; L159-L162 PolarHBondContact O-N 3.07Å; L162-L165 HydrophobicContact CD2-CB 3.99Å; L162-L165 HydrophobicContact CD2-CD1 4.24Å; L162-L165 HydrophobicContact CD2-CD2 4.47Å; L162-L165 HydrophobicContact CD2-CG 4.46Å; L162-L182 HydrophobicContact CD2-CD1 4.05Å; L162-Y184 CarbonylContact O-C 3.57Å; L162-L185 HydrophobicContact CD2-CD1 4.09Å; L162-L185 HydrophobicContact CG-CD1 4.15Å; L162-L185 VanDerWaalsContact O-CA 3.3Å; L162-L185 WeakPolarHBondContact O-CA 3.34Å; L162-L185 PolarHBondContact O-N 3.28Å; L162-L185 VanDerWaalsContact O-N 3.17Å | ||
| 163 | E | 95.5 | Very high | 93.8 | Very high | 86 Ų | 86 | 39.2 Ų | 39.2 | 40% | 0.402 | 21% | 0.21 | S | C | . | . | trans | -102.2 | -38.4 | 178 | -62.6 | -178.4 | -163.8 | 0 | 0 | 112.1 | Q140 S161 Y184 T186 Y187 | Q140-E163 PolarHBondContact O-N 2.93Å; S161-E163 PolarHBondContact O-N 3.05Å; E163-Y184 WeakPolarHBondContact CA-O 3.35Å; E163-T186 PolarHBondContact O-N 3.2Å; E163-T186 PolarHBondContact O-OG1 3.37Å; E163-T186 VanDerWaalsContact O-OG1 3.04Å; E163-Y187 PolarHBondContact O-N 2.81Å | ||
| 164 | M | 96.2 | Very high | 93.7 | Very high | 71 Ų | 71 | 42 Ų | 42 | 35% | 0.35 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 122.9 | -177.9 | 178.2 | 177.2 | -72.9 | 0 | 0 | 111.7 | Q140 S141 L142 Y187 | Q140-M164 PolarHBondContact O-N 2.82Å; S141-M164 WeakPolarHBondContact CA-O 3.2Å; L142-M164 PolarHBondContact N-O 3.32Å; M164-Y187 HydrophobicContact CE-CD2 3.91Å; M164-Y187 HydrophobicContact CE-CG 3.96Å |
| 165 | L | 96.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 110.2 | 172.6 | -177.5 | 57.6 | 0 | 0 | 0 | 110.6 | L142 L162 L167 L179 L185 Y187 L188 V189 | L142-L165 HydrophobicContact CB-CD1 4.08Å; L142-L165 HydrophobicContact CD2-CD1 4.06Å; L142-L165 HydrophobicContact CG-CD1 4.11Å; L162-L165 HydrophobicContact CD2-CB 3.99Å; L162-L165 HydrophobicContact CD2-CD1 4.24Å; L162-L165 HydrophobicContact CD2-CD2 4.47Å; L162-L165 HydrophobicContact CD2-CG 4.46Å; L165-L167 HydrophobicContact CD1-CD1 3.93Å; L165-L167 HydrophobicContact CD1-CD2 4.1Å; L165-L167 HydrophobicContact CD1-CG 3.79Å; L165-L167 HydrophobicContact CD2-CD1 3.91Å; L165-L167 HydrophobicContact CG-CD1 3.89Å; L165-L167 HydrophobicContact CG-CG 3.94Å; L165-L179 HydrophobicContact CD2-CD1 3.62Å; L165-L185 HydrophobicContact CB-CD1 3.89Å; L165-Y187 PolarHBondContact N-O 3.04Å; L165-L188 HydrophobicContact CB-CD1 4.09Å; L165-L188 HydrophobicContact CD2-CD1 3.94Å; L165-L188 HydrophobicContact CG-CD1 4.14Å; L165-V189 PolarHBondContact O-N 3.32Å |
| 166 | Y | 95.9 | Very high | 93.8 | Very high | 91 Ų | 91 | 37.9 Ų | 37.9 | 36% | 0.357 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 107.1 | 177.5 | -170.6 | -80.9 | 0 | 0 | 0 | 111 | L142 S143 I144 G145 V189 | L142-Y166 PolarHBondContact O-N 2.87Å; S143-Y166 CarbonylContact C-O 3.33Å; S143-Y166 WeakPolarHBondContact CA-O 3.4Å; I144-Y166 PolarHBondContact N-O 2.96Å; G145-Y166 PolarHBondContact N-O 2.92Å; Y166-V189 HydrophobicContact CD2-CB 3.59Å; Y166-V189 HydrophobicContact CD2-CG1 3.64Å; Y166-V189 HydrophobicContact CD2-CG2 3.91Å; Y166-V189 HydrophobicContact CE2-CB 4.02Å; Y166-V189 HydrophobicContact CE2-CG1 3.5Å; Y166-V189 HydrophobicContact CE2-CG2 4.38Å; Y166-V189 HydrophobicContact CG-CB 4.27Å; Y166-V189 HydrophobicContact CG-CG1 4.47Å |
| 167 | L | 95.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -123.9 | 16.8 | 179.9 | -63 | 176.3 | 0 | 0 | 0 | 112.1 | I129 I144 L149 I152 L165 N170 I172 V189 L190 N193 | I129-L167 HydrophobicContact CD1-CD1 4.37Å; I129-L167 HydrophobicContact CD1-CD2 3.98Å; I144-L167 HydrophobicContact CB-CD2 3.94Å; I144-L167 HydrophobicContact CD1-CD2 4.44Å; I144-L167 HydrophobicContact CG1-CD2 4.26Å; L149-L167 HydrophobicContact CD1-CD2 3.81Å; I152-L167 HydrophobicContact CD1-CD1 3.53Å; I152-L167 HydrophobicContact CG1-CD1 3.78Å; L165-L167 HydrophobicContact CD1-CD1 3.93Å; L165-L167 HydrophobicContact CD1-CD2 4.1Å; L165-L167 HydrophobicContact CD1-CG 3.79Å; L165-L167 HydrophobicContact CD2-CD1 3.91Å; L165-L167 HydrophobicContact CG-CD1 3.89Å; L165-L167 HydrophobicContact CG-CG 3.94Å; L167-N170 PolarHBondContact O-ND2 3.38Å; L167-I172 HydrophobicContact CB-CD1 3.89Å; L167-I172 HydrophobicContact CD1-CD1 4.14Å; L167-V189 CarbonylContact C-O 3.59Å; L167-V189 PolarHBondContact N-O 3.35Å; L167-L190 HydrophobicContact CB-CD2 3.97Å; L167-L190 HydrophobicContact CD1-CD2 4.15Å; L167-N193 PolarHBondContact O-ND2 3.17Å | ||
| 168 | G | 93.6 | Very high | 93.7 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | trans | -64.2 | 147.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G145 G146 V189 C191 | G145-G168 CarbonylContact C-O 3.38Å; G145-G168 VanDerWaalsContact C-O 3.32Å; G145-G168 WeakPolarHBondContact CA-O 3.43Å; G146-G168 PolarHBondContact N-O 2.95Å; G168-V189 PolarHBondContact N-O 2.91Å; G168-C191 CarbonylContact C-O 3.27Å; G168-C191 WeakPolarHBondContact CA-O 3.19Å | ||
| 169 | G | 93.3 | Very high | 93.8 | Very high | 30 Ų | 30 | 34.6 Ų | 34.6 | 31% | 0.309 | 19% | 0.193 | S | C | . | . | S | Bend | trans | 71.9 | 49.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | G146 N147 C191 D192 | G146-G169 CarbonylContact C-O 3.36Å; G146-G169 WeakPolarHBondContact CA-O 3.43Å; G146-G169 PolarHBondContact N-O 3.14Å; G146-G169 VanDerWaalsContact N-O 3.09Å; N147-G169 PolarHBondContact N-O 2.89Å; G169-C191 PolarHBondContact N-O 2.9Å; G169-D192 CarbonylContact C-O 3.36Å; G169-D192 WeakPolarHBondContact CA-O 3.14Å; G169-D192 PolarHBondContact N-O 3.04Å |
| 170 | N | 95.6 | Very high | 93.5 | Very high | 9 Ų | 9 | 34.9 Ų | 34.9 | 5% | 0.048 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -129 | -164.3 | -179.4 | -88 | -65.7 | 0 | 0 | 0 | 110.3 | I144 N147 R148 L149 L167 I172 D192 N193 | I144-N170 PolarHBondContact O-ND2 3.08Å; N147-N170 WeakPolarHBondContact CA-OD1 3.23Å; N147-N170 WeakPolarHBondContact CB-OD1 3.2Å; N147-N170 PolarHBondContact N-OD1 2.91Å; N147-N170 PolarHBondContact O-OD1 3.32Å; R148-N170 PolarHBondContact N-OD1 2.92Å; L149-N170 HydrophobicContact CB-CB 4.12Å; L149-N170 WeakPolarHBondContact CB-OD1 3.31Å; L149-N170 WeakPolarHBondContact CG-OD1 3.36Å; L149-N170 PolarHBondContact N-OD1 3.26Å; L167-N170 PolarHBondContact O-ND2 3.38Å; N170-I172 HydrophobicContact CB-CD1 4.15Å; N170-I172 HydrophobicContact CB-CG1 4.08Å; N170-D192 PolarHBondContact N-O 2.8Å; N170-N193 WeakPolarHBondContact CA-OD1 3.05Å; N170-N193 WeakPolarHBondContact CB-OD1 3.27Å; N170-N193 PolarHBondContact O-OD1 2.92Å |
| 171 | L | 95 | Very high | 93.5 | Very high | 65 Ų | 65 | 35.1 Ų | 35.1 | 34% | 0.34 | 19% | 0.191 | S | C | . | . | trans | -118.2 | 22.3 | -179.5 | -61 | 171.9 | 0 | 0 | 0 | 111.9 | R148 L149 S173 N193 | R148-L171 HydrophobicContact CB-CD1 4.28Å; L149-L171 CarbonylContact O-C 3.32Å; L149-L171 VanDerWaalsContact O-CA 3.23Å; L149-L171 WeakPolarHBondContact O-CA 3.49Å; L149-L171 WeakPolarHBondContact O-CB 3.14Å; L149-L171 PolarHBondContact O-N 3.39Å; L171-S173 PolarHBondContact O-N 3.34Å; L171-N193 PolarHBondContact N-OD1 3.26Å | ||
| 172 | I | 95.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -65.7 | 123.9 | -171.3 | -60.2 | 166.4 | 0 | 0 | 0 | 109.6 | L149 K150 I152 L167 N170 D174 L190 N193 R194 I195 | L149-I172 HydrophobicContact CB-CD1 4.42Å; L149-I172 HydrophobicContact CB-CG1 4.11Å; L149-I172 PolarHBondContact O-N 2.85Å; L149-I172 VanDerWaalsContact O-N 3.08Å; K150-I172 WeakPolarHBondContact O-CA 3.47Å; I152-I172 HydrophobicContact CD1-CD1 4.29Å; I152-I172 HydrophobicContact CD1-CG2 4.42Å; I152-I172 HydrophobicContact CG1-CD1 4.03Å; I152-I172 HydrophobicContact CG1-CG2 4.27Å; L167-I172 HydrophobicContact CB-CD1 3.89Å; L167-I172 HydrophobicContact CD1-CD1 4.14Å; N170-I172 HydrophobicContact CB-CD1 4.15Å; N170-I172 HydrophobicContact CB-CG1 4.08Å; I172-D174 VanDerWaalsContact CG2-O 3.31Å; I172-D174 WeakPolarHBondContact CG2-O 3.49Å; I172-L190 HydrophobicContact CD1-CD2 4.28Å; I172-N193 HydrophobicContact CB-CB 4.5Å; I172-N193 VanDerWaalsContact CB-OD1 3.27Å; I172-N193 WeakPolarHBondContact CB-OD1 3.45Å; I172-N193 WeakPolarHBondContact CG1-OD1 3.5Å; I172-N193 PolarHBondContact N-OD1 2.82Å; I172-R194 CarbonylContact O-C 3.29Å; I172-R194 VanDerWaalsContact O-CA 3.28Å; I172-R194 WeakPolarHBondContact O-CA 3.46Å; I172-R194 PolarHBondContact O-N 2.76Å; I172-I195 HydrophobicContact CG2-CG1 4.27Å; I172-I195 WeakPolarHBondContact O-CG1 3.43Å; I172-I195 PolarHBondContact O-N 2.85Å; I172-I195 VanDerWaalsContact O-N 3.17Å | ||
| 173 | S | 91.7 | Very high | 93.1 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | trans | -90.3 | -31.7 | 179.6 | 60 | 0 | 0 | 0 | 0 | 114 | K150 L171 I195 Q196 | K150-S173 PolarHBondContact O-N 2.94Å; L171-S173 PolarHBondContact O-N 3.34Å; S173-I195 VanDerWaalsContact O-CA 3.31Å; S173-I195 WeakPolarHBondContact O-CA 3.32Å; S173-Q196 PolarHBondContact O-N 3.14Å | ||
| 174 | D | 90 | Very high | 93 | Very high | 82 Ų | 82 | 39.1 Ų | 39.1 | 44% | 0.439 | 21% | 0.206 | S | C | . | . | trans | -145.1 | 147 | -168.7 | -58.8 | -79.4 | 0 | 0 | 0 | 110.7 | I172 | I172-D174 VanDerWaalsContact CG2-O 3.31Å; I172-D174 WeakPolarHBondContact CG2-O 3.49Å | ||
| 175 | I | 92.5 | Very high | 92.9 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 6% | 0.056 | 19% | 0.189 | C | C | . | . | trans | -101.1 | 123.9 | 175.2 | -56.2 | 168.4 | 0 | 0 | 0 | 107.7 | L179 L190 I195 V198 P199 L213 | I175-L179 HydrophobicContact CG2-CB 4.35Å; I175-L179 HydrophobicContact CG2-CD2 3.59Å; I175-L190 HydrophobicContact CD1-CD1 3.65Å; I175-L190 HydrophobicContact CG1-CD1 4.02Å; I175-I195 HydrophobicContact CD1-CD1 4.22Å; I175-I195 HydrophobicContact CD1-CG2 4.04Å; I175-I195 HydrophobicContact CG1-CD1 4.08Å; I175-I195 HydrophobicContact CG1-CG2 4.04Å; I175-V198 HydrophobicContact CD1-CG1 4.48Å; I175-V198 HydrophobicContact CD1-CG2 4.29Å; I175-P199 HydrophobicContact CB-CG 4.11Å; I175-P199 HydrophobicContact CG2-CG 4.09Å; I175-L213 HydrophobicContact CD1-CD2 4.37Å | ||
| 176 | P | 92.8 | Very high | 92.8 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 11% | 0.11 | 20% | 0.196 | C | C | . | . | trans | -67.9 | 140.3 | 178.5 | 27.3 | -33.9 | 0 | 0 | 0 | 110.8 | I152 E178 L179 | I152-P176 HydrophobicContact CB-CG 3.78Å; I152-P176 HydrophobicContact CG2-CG 3.86Å; P176-E178 VanDerWaalsContact CB-OE2 3.3Å; P176-E178 WeakPolarHBondContact CB-OE2 3.41Å; P176-E178 PolarHBondContact O-N 2.96Å; P176-L179 HydrophobicContact CG-CB 4.36Å; P176-L179 WeakPolarHBondContact O-CB 3.48Å; P176-L179 PolarHBondContact O-N 2.94Å | ||
| 177 | P | 90.1 | Very high | 92.7 | Very high | 52 Ų | 52 | 37.1 Ų | 37.1 | 34% | 0.338 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -62.6 | -23.9 | 176.1 | 26.4 | -34 | 0 | 0 | 0 | 112.7 | L179 A180 Q201 | P177-L179 PolarHBondContact O-N 3.44Å; P177-A180 WeakPolarHBondContact O-CB 3.44Å; P177-A180 PolarHBondContact O-N 3.12Å; P177-A180 VanDerWaalsContact O-N 3.1Å; P177-Q201 HydrophobicContact CB-CB 4.06Å; P177-Q201 HydrophobicContact CB-CG 3.86Å |
| 178 | E | 92.9 | Very high | 92.7 | Very high | 59 Ų | 59 | 37.1 Ų | 37.1 | 28% | 0.276 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -63.9 | -24 | 176.5 | -63.1 | 75.1 | -159.3 | 0 | 0 | 112.7 | A154 E157 P176 A180 H181 | A154-E178 HydrophobicContact CB-CB 4.46Å; A154-E178 HydrophobicContact CB-CG 3.98Å; A154-E178 WeakPolarHBondContact O-CB 3.37Å; E157-E178 HydrophobicContact CB-CB 4.28Å; P176-E178 VanDerWaalsContact CB-OE2 3.3Å; P176-E178 WeakPolarHBondContact CB-OE2 3.41Å; P176-E178 PolarHBondContact O-N 2.96Å; E178-A180 PolarHBondContact O-N 2.92Å; E178-A180 VanDerWaalsContact O-N 3.08Å; E178-H181 WeakPolarHBondContact O-CB 3.46Å; E178-H181 PolarHBondContact O-N 2.95Å |
| 179 | L | 92.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -57.4 | -26.1 | 172.7 | -171.1 | 69 | 0 | 0 | 0 | 111.9 | I156 L165 I175 P176 P177 H181 L182 L188 L202 | I156-L179 HydrophobicContact CG1-CD1 4.06Å; I156-L179 HydrophobicContact CG2-CB 4.4Å; I156-L179 HydrophobicContact CG2-CD1 3.98Å; L165-L179 HydrophobicContact CD2-CD1 3.62Å; I175-L179 HydrophobicContact CG2-CB 4.35Å; I175-L179 HydrophobicContact CG2-CD2 3.59Å; P176-L179 HydrophobicContact CG-CB 4.36Å; P176-L179 WeakPolarHBondContact O-CB 3.48Å; P176-L179 PolarHBondContact O-N 2.94Å; P177-L179 PolarHBondContact O-N 3.44Å; L179-H181 PolarHBondContact O-N 3.17Å; L179-L182 HydrophobicContact CD1-CD1 3.64Å; L179-L182 WeakPolarHBondContact O-CG 3.45Å; L179-L182 PolarHBondContact O-N 2.89Å; L179-L188 HydrophobicContact CD2-CD1 4.2Å; L179-L188 HydrophobicContact CD2-CD2 3.83Å; L179-L202 HydrophobicContact CD2-CD1 4.08Å; L179-L202 HydrophobicContact CG-CD1 4.5Å |
| 180 | A | 88.6 | Confident | 92.7 | Very high | 6 Ų | 6 | 36.7 Ų | 36.7 | 5% | 0.05 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -72.2 | -5.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | P177 E178 L182 Q201 R204 | P177-A180 WeakPolarHBondContact O-CB 3.44Å; P177-A180 PolarHBondContact O-N 3.12Å; P177-A180 VanDerWaalsContact O-N 3.1Å; E178-A180 PolarHBondContact O-N 2.92Å; E178-A180 VanDerWaalsContact O-N 3.08Å; A180-L182 VanDerWaalsContact C-N 3.34Å; A180-Q201 HydrophobicContact CB-CB 3.97Å; A180-Q201 WeakPolarHBondContact CB-O 3.21Å; A180-R204 HydrophobicContact CB-CB 4.3Å |
| 181 | H | 90.6 | Very high | 92.5 | Very high | 78 Ų | 78 | 36.5 Ų | 36.5 | 36% | 0.361 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -86.9 | -0.4 | 176.2 | -64.1 | 146.1 | 0 | 0 | 0 | 113.8 | E157 E178 L179 P183 R204 | E157-H181 HydrophobicContact CB-CB 3.99Å; E157-H181 IonicContact OE2-CE1 3.85Å; E157-H181 IonicContact OE2-CG 3.92Å; E157-H181 IonicContact OE2-ND1 3.29Å; E157-H181 PolarHBondContact OE2-ND1 2.85Å; E178-H181 WeakPolarHBondContact O-CB 3.46Å; E178-H181 PolarHBondContact O-N 2.95Å; L179-H181 PolarHBondContact O-N 3.17Å; H181-P183 VanDerWaalsContact O-CD 3.25Å; H181-P183 WeakPolarHBondContact O-CD 3.43Å; H181-R204 PolarHBondContact CD2-NH1 2.94Å; H181-R204 PolarHBondContact NE2-NH1 3.02Å |
| 182 | L | 92.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | trans | -80.2 | 106.3 | 178 | -62.6 | -178.6 | 0 | 0 | 0 | 111.5 | I156 L159 L162 L179 A180 Y184 L185 L205 | I156-L182 WeakPolarHBondContact O-CD2 3.3Å; L159-L182 HydrophobicContact CB-CD2 4.32Å; L159-L182 VanDerWaalsContact O-CD2 3.3Å; L159-L182 WeakPolarHBondContact O-CD2 3.24Å; L162-L182 HydrophobicContact CD2-CD1 4.05Å; L179-L182 HydrophobicContact CD1-CD1 3.64Å; L179-L182 WeakPolarHBondContact O-CG 3.45Å; L179-L182 PolarHBondContact O-N 2.89Å; A180-L182 VanDerWaalsContact C-N 3.34Å; L182-Y184 PolarHBondContact O-N 2.98Å; L182-L185 HydrophobicContact CB-CB 3.99Å; L182-L185 HydrophobicContact CD1-CD1 4.25Å; L182-L185 HydrophobicContact CD1-CD2 4.23Å; L182-L205 HydrophobicContact CB-CD2 4.19Å; L182-L205 WeakPolarHBondContact O-CD2 3.5Å | ||
| 183 | P | 88.8 | Confident | 92.3 | Very high | 63 Ų | 63 | 37.5 Ų | 37.5 | 41% | 0.409 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -29.9 | -168.7 | 30.2 | -34.9 | 0 | 0 | 0 | 113.5 | T160 H181 S207 | T160-P183 WeakPolarHBondContact O-CG 3.27Å; H181-P183 VanDerWaalsContact O-CD 3.25Å; H181-P183 WeakPolarHBondContact O-CD 3.43Å; P183-S207 WeakPolarHBondContact O-CB 3.31Å; P183-S207 PolarHBondContact O-OG 2.98Å |
| 184 | Y | 92.8 | Very high | 92.4 | Very high | 144 Ų | 144 | 42.4 Ų | 42.4 | 57% | 0.565 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103 | 5.4 | -174.6 | -58 | -62.4 | 0 | 0 | 0 | 114.2 | T160 L162 E163 L182 T186 | T160-Y184 VanDerWaalsContact O-CD2 3.31Å; T160-Y184 WeakPolarHBondContact O-CD2 3.41Å; L162-Y184 CarbonylContact O-C 3.57Å; E163-Y184 WeakPolarHBondContact CA-O 3.35Å; L182-Y184 PolarHBondContact O-N 2.98Å; Y184-T186 PolarHBondContact O-N 2.77Å |
| 185 | L | 94.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | trans | -65.4 | 112.4 | -176.5 | -163.4 | 76 | 0 | 0 | 0 | 110.6 | L162 L165 L182 L188 L205 S207 L208 | L162-L185 HydrophobicContact CD2-CD1 4.09Å; L162-L185 HydrophobicContact CG-CD1 4.15Å; L162-L185 VanDerWaalsContact O-CA 3.3Å; L162-L185 WeakPolarHBondContact O-CA 3.34Å; L162-L185 PolarHBondContact O-N 3.28Å; L162-L185 VanDerWaalsContact O-N 3.17Å; L165-L185 HydrophobicContact CB-CD1 3.89Å; L182-L185 HydrophobicContact CB-CB 3.99Å; L182-L185 HydrophobicContact CD1-CD1 4.25Å; L182-L185 HydrophobicContact CD1-CD2 4.23Å; L185-L188 HydrophobicContact CD2-CB 4.09Å; L185-L188 HydrophobicContact CD2-CD1 4.32Å; L185-L188 HydrophobicContact CD2-CD2 4.29Å; L185-L188 HydrophobicContact CD2-CG 4.47Å; L185-L205 HydrophobicContact CB-CD2 4.33Å; L185-L205 HydrophobicContact CD2-CD1 3.93Å; L185-S207 CarbonylContact O-C 2.87Å; L185-S207 VanDerWaalsContact O-C 3.31Å; L185-L208 HydrophobicContact CD2-CD1 4.37Å; L185-L208 HydrophobicContact CG-CD1 4.37Å; L185-L208 VanDerWaalsContact O-CA 3.25Å; L185-L208 WeakPolarHBondContact O-CA 3.42Å; L185-L208 PolarHBondContact O-N 2.84Å | ||
| 186 | T | 93.4 | Very high | 92.3 | Very high | 22 Ų | 22 | 43.3 Ų | 43.3 | 14% | 0.135 | 21% | 0.207 | C | C | . | . | trans | -104.4 | -32 | -178.4 | 46.8 | 0 | 0 | 0 | 0 | 112.1 | E163 Y184 S207 R209 S210 | E163-T186 PolarHBondContact O-N 3.2Å; E163-T186 PolarHBondContact O-OG1 3.37Å; E163-T186 VanDerWaalsContact O-OG1 3.04Å; Y184-T186 PolarHBondContact O-N 2.77Å; T186-S207 WeakPolarHBondContact CG2-O 3.47Å; T186-R209 PolarHBondContact O-N 3.2Å; T186-S210 PolarHBondContact O-N 2.89Å; T186-S210 VanDerWaalsContact O-N 3.08Å | ||
| 187 | Y | 93.9 | Very high | 91.8 | Very high | 96 Ų | 96 | 44.1 Ų | 44.1 | 38% | 0.376 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 116.9 | -179.4 | -57.7 | -87.2 | 0 | 0 | 0 | 111.3 | E163 M164 L165 | E163-Y187 PolarHBondContact O-N 2.81Å; M164-Y187 HydrophobicContact CE-CD2 3.91Å; M164-Y187 HydrophobicContact CE-CG 3.96Å; L165-Y187 PolarHBondContact N-O 3.04Å |
| 188 | L | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 110.1 | 175.4 | -179.5 | 55 | 0 | 0 | 0 | 110.4 | L165 L179 L185 L190 L202 L205 L208 S210 L211 S212 | L165-L188 HydrophobicContact CB-CD1 4.09Å; L165-L188 HydrophobicContact CD2-CD1 3.94Å; L165-L188 HydrophobicContact CG-CD1 4.14Å; L179-L188 HydrophobicContact CD2-CD1 4.2Å; L179-L188 HydrophobicContact CD2-CD2 3.83Å; L185-L188 HydrophobicContact CD2-CB 4.09Å; L185-L188 HydrophobicContact CD2-CD1 4.32Å; L185-L188 HydrophobicContact CD2-CD2 4.29Å; L185-L188 HydrophobicContact CD2-CG 4.47Å; L188-L190 HydrophobicContact CD1-CD1 3.83Å; L188-L190 HydrophobicContact CD1-CG 3.87Å; L188-L190 HydrophobicContact CD2-CD1 3.88Å; L188-L190 HydrophobicContact CG-CD1 3.78Å; L188-L190 HydrophobicContact CG-CG 4.12Å; L188-L202 HydrophobicContact CD2-CD1 4.08Å; L188-L202 HydrophobicContact CD2-CD2 4.37Å; L188-L205 HydrophobicContact CD2-CD1 4.47Å; L188-L208 HydrophobicContact CB-CD1 3.76Å; L188-S210 PolarHBondContact N-O 3.12Å; L188-L211 HydrophobicContact CB-CD1 4.04Å; L188-L211 HydrophobicContact CD2-CD1 3.88Å; L188-L211 HydrophobicContact CG-CD1 3.93Å; L188-S212 PolarHBondContact O-N 2.94Å |
| 189 | V | 93.8 | Very high | 91.3 | Very high | 24 Ų | 24 | 39.8 Ų | 39.8 | 15% | 0.145 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 109 | -179.2 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | L165 Y166 L167 G168 C191 | L165-V189 PolarHBondContact O-N 3.32Å; Y166-V189 HydrophobicContact CD2-CB 3.59Å; Y166-V189 HydrophobicContact CD2-CG1 3.64Å; Y166-V189 HydrophobicContact CD2-CG2 3.91Å; Y166-V189 HydrophobicContact CE2-CB 4.02Å; Y166-V189 HydrophobicContact CE2-CG1 3.5Å; Y166-V189 HydrophobicContact CE2-CG2 4.38Å; Y166-V189 HydrophobicContact CG-CB 4.27Å; Y166-V189 HydrophobicContact CG-CG1 4.47Å; L167-V189 CarbonylContact C-O 3.59Å; L167-V189 PolarHBondContact N-O 3.35Å; G168-V189 PolarHBondContact N-O 2.91Å; V189-C191 WeakPolarHBondContact CG1-SG 3.19Å |
| 190 | L | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -125.7 | 21.9 | -175.9 | -74.9 | 168.4 | 0 | 0 | 0 | 111.6 | I152 L167 I172 I175 L188 N193 I195 S212 L213 N216 | I152-L190 HydrophobicContact CD1-CD2 4.05Å; L167-L190 HydrophobicContact CB-CD2 3.97Å; L167-L190 HydrophobicContact CD1-CD2 4.15Å; I172-L190 HydrophobicContact CD1-CD2 4.28Å; I175-L190 HydrophobicContact CD1-CD1 3.65Å; I175-L190 HydrophobicContact CG1-CD1 4.02Å; L188-L190 HydrophobicContact CD1-CD1 3.83Å; L188-L190 HydrophobicContact CD1-CG 3.87Å; L188-L190 HydrophobicContact CD2-CD1 3.88Å; L188-L190 HydrophobicContact CG-CD1 3.78Å; L188-L190 HydrophobicContact CG-CG 4.12Å; L190-N193 PolarHBondContact O-ND2 2.87Å; L190-I195 HydrophobicContact CB-CD1 3.75Å; L190-I195 HydrophobicContact CD1-CD1 4.2Å; L190-I195 HydrophobicContact CD2-CD1 4.12Å; L190-I195 HydrophobicContact CG-CD1 4.26Å; L190-S212 CarbonylContact C-O 3.53Å; L190-S212 WeakPolarHBondContact CA-O 3.38Å; L190-S212 PolarHBondContact N-O 2.91Å; L190-L213 HydrophobicContact CB-CD2 3.86Å; L190-L213 HydrophobicContact CD1-CD2 4.14Å; L190-N216 PolarHBondContact O-ND2 3.06Å | ||
| 191 | C | 90.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 46.2 Ų | 46.2 | 4% | 0.041 | 22% | 0.224 | C | C | . | . | trans | -65.7 | 162.7 | 179.8 | 55.4 | 0 | 0 | 0 | 0 | 113.7 | G168 G169 V189 N193 S212 H214 | G168-C191 CarbonylContact C-O 3.27Å; G168-C191 WeakPolarHBondContact CA-O 3.19Å; G169-C191 PolarHBondContact N-O 2.9Å; V189-C191 WeakPolarHBondContact CG1-SG 3.19Å; C191-N193 PolarHBondContact O-N 2.97Å; C191-N193 PolarHBondContact O-ND2 3.08Å; C191-S212 PolarHBondContact N-O 3.31Å; C191-H214 CarbonylContact C-O 3.24Å; C191-H214 WeakPolarHBondContact CA-O 3.45Å; C191-H214 VanDerWaalsContact CB-CD2 3.49Å; C191-H214 WeakPolarHBondContact CB-CD2 3.43Å; C191-H214 WeakPolarHBondContact CB-CE1 3.17Å; C191-H214 WeakPolarHBondContact CB-NE2 3.12Å; C191-H214 WeakPolarHBondContact CB-O 3.47Å | ||
| 192 | D | 92.6 | Very high | 90.3 | Very high | 74 Ų | 74 | 42.6 Ų | 42.6 | 40% | 0.396 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 51.3 | 54.7 | 175.1 | -61.6 | -66.3 | 0 | 0 | 0 | 111.7 | G169 N170 H214 N215 | G169-D192 CarbonylContact C-O 3.36Å; G169-D192 WeakPolarHBondContact CA-O 3.14Å; G169-D192 PolarHBondContact N-O 3.04Å; N170-D192 PolarHBondContact N-O 2.8Å; D192-H214 PolarHBondContact N-O 3.17Å; D192-H214 IonicContact OD2-CE1 3.12Å; D192-H214 PolarHBondContact OD2-CE1 2.85Å; D192-H214 IonicContact OD2-ND1 2.84Å; D192-N215 WeakPolarHBondContact CA-O 3.06Å; D192-N215 PolarHBondContact N-O 3.01Å; D192-N215 WeakPolarHBondContact OD1-CB 3.37Å; D192-N215 PolarHBondContact OD1-ND2 3.45Å |
| 193 | N | 95.3 | Very high | 89.5 | Confident | 11 Ų | 11 | 42.9 Ų | 42.9 | 6% | 0.059 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -133.6 | -166 | -177 | -92 | -77.4 | 0 | 0 | 0 | 109.8 | L167 N170 L171 I172 L190 C191 I195 N215 N216 | L167-N193 PolarHBondContact O-ND2 3.17Å; N170-N193 WeakPolarHBondContact CA-OD1 3.05Å; N170-N193 WeakPolarHBondContact CB-OD1 3.27Å; N170-N193 PolarHBondContact O-OD1 2.92Å; L171-N193 PolarHBondContact N-OD1 3.26Å; I172-N193 HydrophobicContact CB-CB 4.5Å; I172-N193 VanDerWaalsContact CB-OD1 3.27Å; I172-N193 WeakPolarHBondContact CB-OD1 3.45Å; I172-N193 WeakPolarHBondContact CG1-OD1 3.5Å; I172-N193 PolarHBondContact N-OD1 2.82Å; L190-N193 PolarHBondContact O-ND2 2.87Å; C191-N193 PolarHBondContact O-N 2.97Å; C191-N193 PolarHBondContact O-ND2 3.08Å; N193-I195 HydrophobicContact CB-CD1 4.18Å; N193-I195 HydrophobicContact CB-CG1 4.11Å; N193-N215 PolarHBondContact N-O 3.03Å; N193-N216 WeakPolarHBondContact CA-OD1 3.21Å; N193-N216 WeakPolarHBondContact CB-OD1 3.3Å; N193-N216 PolarHBondContact O-OD1 3.4Å |
| 194 | R | 93.4 | Very high | 89.4 | Confident | 143 Ų | 143 | 46.4 Ų | 46.4 | 54% | 0.54 | 22% | 0.215 | S | C | . | . | trans | -119.4 | 25.4 | -178.5 | -63.4 | -174.7 | 175.9 | -169.4 | -1 | 112.8 | I172 Q196 N216 L217 | I172-R194 CarbonylContact O-C 3.29Å; I172-R194 VanDerWaalsContact O-CA 3.28Å; I172-R194 WeakPolarHBondContact O-CA 3.46Å; I172-R194 PolarHBondContact O-N 2.76Å; R194-Q196 PolarHBondContact O-N 2.98Å; R194-N216 PolarHBondContact N-OD1 3.26Å; R194-L217 HydrophobicContact CB-CD1 4.13Å | ||
| 195 | I | 92.7 | Very high | 89.1 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -68.1 | 123.3 | -169.8 | -58.2 | 167.5 | 0 | 0 | 0 | 110 | I172 S173 I175 L190 N193 S197 L213 N216 L217 L218 | I172-I195 HydrophobicContact CG2-CG1 4.27Å; I172-I195 WeakPolarHBondContact O-CG1 3.43Å; I172-I195 PolarHBondContact O-N 2.85Å; I172-I195 VanDerWaalsContact O-N 3.17Å; S173-I195 VanDerWaalsContact O-CA 3.31Å; S173-I195 WeakPolarHBondContact O-CA 3.32Å; I175-I195 HydrophobicContact CD1-CD1 4.22Å; I175-I195 HydrophobicContact CD1-CG2 4.04Å; I175-I195 HydrophobicContact CG1-CD1 4.08Å; I175-I195 HydrophobicContact CG1-CG2 4.04Å; L190-I195 HydrophobicContact CB-CD1 3.75Å; L190-I195 HydrophobicContact CD1-CD1 4.2Å; L190-I195 HydrophobicContact CD2-CD1 4.12Å; L190-I195 HydrophobicContact CG-CD1 4.26Å; N193-I195 HydrophobicContact CB-CD1 4.18Å; N193-I195 HydrophobicContact CB-CG1 4.11Å; I195-S197 WeakPolarHBondContact CG2-O 3.4Å; I195-L213 HydrophobicContact CD1-CD2 4.25Å; I195-N216 HydrophobicContact CB-CB 4.32Å; I195-N216 VanDerWaalsContact CB-OD1 3.29Å; I195-N216 WeakPolarHBondContact CB-OD1 3.31Å; I195-N216 WeakPolarHBondContact CG1-OD1 3.2Å; I195-N216 PolarHBondContact N-OD1 3.19Å; I195-L217 CarbonylContact O-C 3.23Å; I195-L217 VanDerWaalsContact O-CA 3.31Å; I195-L217 WeakPolarHBondContact O-CA 3.36Å; I195-L217 PolarHBondContact O-N 3.43Å; I195-L218 HydrophobicContact CB-CD2 4.41Å; I195-L218 HydrophobicContact CG2-CD2 3.81Å; I195-L218 PolarHBondContact O-N 2.75Å; I195-L218 VanDerWaalsContact O-N 3.09Å | ||
| 196 | Q | 86.5 | Confident | 88.5 | Confident | 112 Ų | 112 | 45.2 Ų | 45.2 | 52% | 0.523 | 21% | 0.214 | S | C | . | . | trans | -93.4 | -29.9 | -176.4 | -62.4 | -175.2 | 45.3 | 0 | 0 | 113.7 | S173 R194 L217 T219 | S173-Q196 PolarHBondContact O-N 3.14Å; R194-Q196 PolarHBondContact O-N 2.98Å; Q196-L217 HydrophobicContact CG-CB 4.32Å; Q196-T219 PolarHBondContact O-N 2.89Å | ||
| 197 | S | 82.9 | Confident | 88.2 | Confident | 34 Ų | 34 | 46 Ų | 46 | 24% | 0.238 | 22% | 0.221 | C | C | . | . | trans | -148.4 | 157.6 | 179.8 | 70.8 | 0 | 0 | 0 | 0 | 111.3 | I195 | I195-S197 WeakPolarHBondContact CG2-O 3.4Š| ||
| 198 | V | 85.8 | Confident | 88 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | trans | -107.2 | 128.7 | 171.5 | 179 | 0 | 0 | 0 | 0 | 107.9 | I175 L202 L213 L218 L221 P222 | I175-V198 HydrophobicContact CD1-CG1 4.48Å; I175-V198 HydrophobicContact CD1-CG2 4.29Å; V198-L202 HydrophobicContact CG1-CB 4.09Å; V198-L202 HydrophobicContact CG1-CD2 3.5Å; V198-L202 HydrophobicContact CG1-CG 4.42Å; V198-L213 HydrophobicContact CG2-CD1 3.84Å; V198-L218 HydrophobicContact CG2-CD1 4.28Å; V198-L218 HydrophobicContact CG2-CD2 3.85Å; V198-L221 HydrophobicContact CG2-CD2 3.96Å; V198-P222 HydrophobicContact CB-CG 4.16Å; V198-P222 HydrophobicContact CG1-CG 4.18Å; V198-P222 WeakPolarHBondContact O-CG 3.3Å | ||
| 199 | P | 87.1 | Confident | 87.3 | Confident | 17 Ų | 17 | 47.1 Ų | 47.1 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | trans | -66.3 | 138.1 | 179 | 27 | -34.9 | 0 | 0 | 0 | 110.4 | I175 Q201 L202 | I175-P199 HydrophobicContact CB-CG 4.11Å; I175-P199 HydrophobicContact CG2-CG 4.09Å; P199-Q201 PolarHBondContact O-N 3.2Å; P199-Q201 VanDerWaalsContact O-N 3.14Å; P199-L202 HydrophobicContact CG-CB 4.44Å; P199-L202 WeakPolarHBondContact O-CB 3.35Å; P199-L202 PolarHBondContact O-N 2.83Å | ||
| 200 | P | 75.7 | Confident | 86.7 | Confident | 59 Ų | 59 | 46.4 Ų | 46.4 | 38% | 0.383 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -61.3 | -23.5 | 177.7 | 25.8 | -34.3 | 0 | 0 | 0 | 112.4 | L202 A203 P222 E224 | P200-L202 PolarHBondContact O-N 2.96Å; P200-A203 WeakPolarHBondContact O-CB 3.38Å; P200-A203 PolarHBondContact O-N 2.92Å; P200-P222 HydrophobicContact CB-CB 4.05Å; P200-E224 HydrophobicContact CB-CB 4.18Å; P200-E224 HydrophobicContact CB-CG 3.89Å |
| 201 | Q | 88.1 | Confident | 86.4 | Confident | 83 Ų | 83 | 46.4 Ų | 46.4 | 39% | 0.388 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -58.5 | -29.6 | 174.3 | -67.6 | 81.3 | -6.1 | 0 | 0 | 112.8 | P177 A180 P199 A203 R204 | P177-Q201 HydrophobicContact CB-CB 4.06Å; P177-Q201 HydrophobicContact CB-CG 3.86Å; A180-Q201 HydrophobicContact CB-CB 3.97Å; A180-Q201 WeakPolarHBondContact CB-O 3.21Å; P199-Q201 PolarHBondContact O-N 3.2Å; P199-Q201 VanDerWaalsContact O-N 3.14Å; Q201-A203 PolarHBondContact O-N 2.96Å; Q201-R204 WeakPolarHBondContact O-CB 3.33Å; Q201-R204 WeakPolarHBondContact O-CG 3.31Å; Q201-R204 PolarHBondContact O-N 3Å |
| 202 | L | 87 | Confident | 86.1 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -55.9 | -24.1 | -178.9 | -161.9 | 73.2 | 0 | 0 | 0 | 112.6 | L179 L188 V198 P199 P200 R204 L205 L211 | L179-L202 HydrophobicContact CD2-CD1 4.08Å; L179-L202 HydrophobicContact CG-CD1 4.5Å; L188-L202 HydrophobicContact CD2-CD1 4.08Å; L188-L202 HydrophobicContact CD2-CD2 4.37Å; V198-L202 HydrophobicContact CG1-CB 4.09Å; V198-L202 HydrophobicContact CG1-CD2 3.5Å; V198-L202 HydrophobicContact CG1-CG 4.42Å; P199-L202 HydrophobicContact CG-CB 4.44Å; P199-L202 WeakPolarHBondContact O-CB 3.35Å; P199-L202 PolarHBondContact O-N 2.83Å; P200-L202 PolarHBondContact O-N 2.96Å; L202-R204 PolarHBondContact O-N 2.93Å; L202-R204 VanDerWaalsContact O-N 3.1Å; L202-L205 HydrophobicContact CD1-CD1 3.44Å; L202-L205 VanDerWaalsContact CD1-CD1 3.44Å; L202-L205 HydrophobicContact CD1-CG 4.32Å; L202-L205 HydrophobicContact CG-CD1 3.93Å; L202-L205 WeakPolarHBondContact O-CB 3.29Å; L202-L205 WeakPolarHBondContact O-CG 3.33Å; L202-L205 PolarHBondContact O-N 3.12Å; L202-L205 VanDerWaalsContact O-N 3.09Å; L202-L211 HydrophobicContact CD2-CD2 4.24Å |
| 203 | A | 75.6 | Confident | 85.8 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 7% | 0.074 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -56.3 | -17.2 | 172 | 0 | 0 | 0 | 0 | 0 | 115.8 | P200 Q201 L205 E224 | P200-A203 WeakPolarHBondContact O-CB 3.38Å; P200-A203 PolarHBondContact O-N 2.92Å; Q201-A203 PolarHBondContact O-N 2.96Å; A203-L205 VanDerWaalsContact C-N 3.28Å; A203-E224 HydrophobicContact CB-CB 3.59Å; A203-E224 WeakPolarHBondContact CB-O 3.25Å |
| 204 | R | 86.4 | Confident | 85.1 | Confident | 137 Ų | 137 | 45.3 Ų | 45.3 | 52% | 0.517 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -78.3 | -8.4 | 175.9 | -60.7 | 173.2 | 67.3 | -170.6 | -3.1 | 113.3 | A180 H181 Q201 L202 H206 | A180-R204 HydrophobicContact CB-CB 4.3Å; H181-R204 PolarHBondContact CD2-NH1 2.94Å; H181-R204 PolarHBondContact NE2-NH1 3.02Å; Q201-R204 WeakPolarHBondContact O-CB 3.33Å; Q201-R204 WeakPolarHBondContact O-CG 3.31Å; Q201-R204 PolarHBondContact O-N 3Å; L202-R204 PolarHBondContact O-N 2.93Å; L202-R204 VanDerWaalsContact O-N 3.1Å; R204-H206 PolarHBondContact O-CD2 2.91Å; R204-H206 PolarHBondContact O-N 3.43Å |
| 205 | L | 87.6 | Confident | 84.6 | Confident | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | trans | -75 | 68.6 | 175.7 | -64.7 | -179.7 | 0 | 0 | 0 | 111.2 | L182 L185 L188 L202 A203 S207 L208 L228 | L182-L205 HydrophobicContact CB-CD2 4.19Å; L182-L205 WeakPolarHBondContact O-CD2 3.5Å; L185-L205 HydrophobicContact CB-CD2 4.33Å; L185-L205 HydrophobicContact CD2-CD1 3.93Å; L188-L205 HydrophobicContact CD2-CD1 4.47Å; L202-L205 HydrophobicContact CD1-CD1 3.44Å; L202-L205 VanDerWaalsContact CD1-CD1 3.44Å; L202-L205 HydrophobicContact CD1-CG 4.32Å; L202-L205 HydrophobicContact CG-CD1 3.93Å; L202-L205 WeakPolarHBondContact O-CB 3.29Å; L202-L205 WeakPolarHBondContact O-CG 3.33Å; L202-L205 PolarHBondContact O-N 3.12Å; L202-L205 VanDerWaalsContact O-N 3.09Å; A203-L205 VanDerWaalsContact C-N 3.28Å; L205-S207 PolarHBondContact O-N 2.89Å; L205-S207 VanDerWaalsContact O-N 3.07Å; L205-L208 HydrophobicContact CB-CB 3.99Å; L205-L208 HydrophobicContact CD1-CD2 4.28Å; L205-L208 VanDerWaalsContact O-CB 3.3Å; L205-L208 WeakPolarHBondContact O-CB 3.28Å; L205-L208 PolarHBondContact O-N 3.34Å; L205-L228 HydrophobicContact CB-CD2 4.23Å; L205-L228 VanDerWaalsContact O-CD2 3.31Å; L205-L228 WeakPolarHBondContact O-CD2 3.43Å | ||
| 206 | H | 81.8 | Confident | 84.4 | Confident | 118 Ų | 118 | 41.8 Ų | 41.8 | 55% | 0.546 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.4 | -174.8 | -59.9 | -58.3 | 0 | 0 | 0 | 113.9 | R204 H230 | R204-H206 PolarHBondContact O-CD2 2.91Å; R204-H206 PolarHBondContact O-N 3.43Å; H206-H230 PolarHBondContact O-ND1 3.1Å |
| 207 | S | 87.4 | Confident | 84.3 | Confident | 39 Ų | 39 | 40.6 Ų | 40.6 | 27% | 0.273 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -6.4 | 178.6 | -56.8 | 0 | 0 | 0 | 0 | 114.3 | P183 L185 T186 L205 R209 | P183-S207 WeakPolarHBondContact O-CB 3.31Å; P183-S207 PolarHBondContact O-OG 2.98Å; L185-S207 CarbonylContact O-C 2.87Å; L185-S207 VanDerWaalsContact O-C 3.31Å; T186-S207 WeakPolarHBondContact CG2-O 3.47Å; L205-S207 PolarHBondContact O-N 2.89Å; L205-S207 VanDerWaalsContact O-N 3.07Å; S207-R209 PolarHBondContact O-N 3.2Å |
| 208 | L | 88 | Confident | 84.2 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | trans | -70.1 | 123.8 | -170.5 | -165.7 | 70.6 | 0 | 0 | 0 | 111.8 | L185 L188 L205 L211 L228 H230 L231 | L185-L208 HydrophobicContact CD2-CD1 4.37Å; L185-L208 HydrophobicContact CG-CD1 4.37Å; L185-L208 VanDerWaalsContact O-CA 3.25Å; L185-L208 WeakPolarHBondContact O-CA 3.42Å; L185-L208 PolarHBondContact O-N 2.84Å; L188-L208 HydrophobicContact CB-CD1 3.76Å; L205-L208 HydrophobicContact CB-CB 3.99Å; L205-L208 HydrophobicContact CD1-CD2 4.28Å; L205-L208 VanDerWaalsContact O-CB 3.3Å; L205-L208 WeakPolarHBondContact O-CB 3.28Å; L205-L208 PolarHBondContact O-N 3.34Å; L208-L211 HydrophobicContact CD2-CB 4.07Å; L208-L211 HydrophobicContact CD2-CD1 4.42Å; L208-L211 HydrophobicContact CD2-CD2 4.27Å; L208-L211 HydrophobicContact CD2-CG 4.49Å; L208-L228 HydrophobicContact CD2-CD1 4.18Å; L208-H230 CarbonylContact O-C 3.23Å; L208-H230 VanDerWaalsContact O-C 3.24Å; L208-L231 HydrophobicContact CD2-CD1 4.2Å; L208-L231 HydrophobicContact CG-CD1 4.13Å; L208-L231 WeakPolarHBondContact O-CA 3.48Å; L208-L231 PolarHBondContact O-N 3.47Å; L208-L231 VanDerWaalsContact O-N 3.17Å | ||
| 209 | R | 81.9 | Confident | 83.5 | Confident | 118 Ų | 118 | 40.9 Ų | 40.9 | 45% | 0.445 | 20% | 0.203 | S | C | . | . | trans | -108.1 | -35.1 | -179.1 | -63.7 | -173.8 | -177.5 | -172.9 | -0.6 | 113.7 | T186 S207 H230 Q232 E233 | T186-R209 PolarHBondContact O-N 3.2Å; S207-R209 PolarHBondContact O-N 3.2Å; R209-H230 WeakPolarHBondContact CA-O 3.31Å; R209-Q232 WeakPolarHBondContact O-CA 3.5Å; R209-Q232 PolarHBondContact O-N 2.91Å; R209-E233 PolarHBondContact O-N 3.1Å | ||
| 210 | S | 81.5 | Confident | 82.6 | Confident | 9 Ų | 9 | 45.8 Ų | 45.8 | 6% | 0.063 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 125.6 | 178.4 | -169.4 | 0 | 0 | 0 | 0 | 111 | T186 L188 E233 | T186-S210 PolarHBondContact O-N 2.89Å; T186-S210 VanDerWaalsContact O-N 3.08Å; L188-S210 PolarHBondContact N-O 3.12Å; S210-E233 WeakPolarHBondContact CA-O 3.47Å; S210-E233 PolarHBondContact OG-OE2 3.08Å |
| 211 | L | 87 | Confident | 82.4 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 107.3 | 178.4 | 179.7 | 54.9 | 0 | 0 | 0 | 110.1 | L188 L202 L208 L213 I225 L231 E233 L234 S235 | L188-L211 HydrophobicContact CB-CD1 4.04Å; L188-L211 HydrophobicContact CD2-CD1 3.88Å; L188-L211 HydrophobicContact CG-CD1 3.93Å; L202-L211 HydrophobicContact CD2-CD2 4.24Å; L208-L211 HydrophobicContact CD2-CB 4.07Å; L208-L211 HydrophobicContact CD2-CD1 4.42Å; L208-L211 HydrophobicContact CD2-CD2 4.27Å; L208-L211 HydrophobicContact CD2-CG 4.49Å; L211-L213 HydrophobicContact CD1-CD1 4.05Å; L211-L213 HydrophobicContact CD1-CG 3.97Å; L211-L213 HydrophobicContact CD2-CD1 3.87Å; L211-L213 HydrophobicContact CG-CD1 3.83Å; L211-L213 HydrophobicContact CG-CG 4.07Å; L211-I225 HydrophobicContact CD2-CD1 3.9Å; L211-L231 HydrophobicContact CB-CD1 3.78Å; L211-E233 PolarHBondContact N-O 2.91Å; L211-L234 HydrophobicContact CB-CD1 4.05Å; L211-L234 HydrophobicContact CD2-CD1 3.94Å; L211-L234 HydrophobicContact CG-CD1 3.96Å; L211-L234 WeakPolarHBondContact O-CA 2.98Å; L211-S235 PolarHBondContact O-N 3.13Å |
| 212 | S | 84.8 | Confident | 81.6 | Confident | 22 Ų | 22 | 40.9 Ų | 40.9 | 15% | 0.154 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 109.2 | 179.3 | -75.7 | 0 | 0 | 0 | 0 | 111.3 | L188 L190 C191 | L188-S212 PolarHBondContact O-N 2.94Å; L190-S212 CarbonylContact C-O 3.53Å; L190-S212 WeakPolarHBondContact CA-O 3.38Å; L190-S212 PolarHBondContact N-O 2.91Å; C191-S212 PolarHBondContact N-O 3.31Å |
| 213 | L | 84.9 | Confident | 80.4 | Confident | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | trans | -121.8 | 13.2 | -178.4 | -73.5 | 167.4 | 0 | 0 | 0 | 112.7 | I175 L190 I195 V198 L211 N216 L218 S235 L236 N239 | I175-L213 HydrophobicContact CD1-CD2 4.37Å; L190-L213 HydrophobicContact CB-CD2 3.86Å; L190-L213 HydrophobicContact CD1-CD2 4.14Å; I195-L213 HydrophobicContact CD1-CD2 4.25Å; V198-L213 HydrophobicContact CG2-CD1 3.84Å; L211-L213 HydrophobicContact CD1-CD1 4.05Å; L211-L213 HydrophobicContact CD1-CG 3.97Å; L211-L213 HydrophobicContact CD2-CD1 3.87Å; L211-L213 HydrophobicContact CG-CD1 3.83Å; L211-L213 HydrophobicContact CG-CG 4.07Å; L213-N216 PolarHBondContact O-ND2 3.35Å; L213-L218 HydrophobicContact CB-CD1 3.94Å; L213-L218 HydrophobicContact CD1-CD1 4.1Å; L213-L218 HydrophobicContact CD2-CD1 4.45Å; L213-L218 HydrophobicContact CG-CD1 4.4Å; L213-S235 CarbonylContact C-O 3.59Å; L213-S235 WeakPolarHBondContact CA-O 3.02Å; L213-S235 PolarHBondContact N-O 3.24Å; L213-L236 HydrophobicContact CB-CD2 4.13Å; L213-L236 HydrophobicContact CD1-CD2 4.34Å; L213-N239 PolarHBondContact O-ND2 3.36Å | ||
| 214 | H | 80.9 | Confident | 80.2 | Confident | 45 Ų | 45 | 49.3 Ų | 49.3 | 21% | 0.208 | 23% | 0.228 | C | C | . | . | trans | -62.8 | 153.8 | -178.7 | 68.4 | 83.3 | 0 | 0 | 0 | 113.2 | C191 D192 N216 S235 R237 | C191-H214 CarbonylContact C-O 3.24Å; C191-H214 WeakPolarHBondContact CA-O 3.45Å; C191-H214 VanDerWaalsContact CB-CD2 3.49Å; C191-H214 WeakPolarHBondContact CB-CD2 3.43Å; C191-H214 WeakPolarHBondContact CB-CE1 3.17Å; C191-H214 WeakPolarHBondContact CB-NE2 3.12Å; C191-H214 WeakPolarHBondContact CB-O 3.47Å; D192-H214 PolarHBondContact N-O 3.17Å; D192-H214 IonicContact OD2-CE1 3.12Å; D192-H214 PolarHBondContact OD2-CE1 2.85Å; D192-H214 IonicContact OD2-ND1 2.84Å; H214-N216 PolarHBondContact O-ND2 2.91Å; H214-S235 PolarHBondContact N-O 3.24Å; H214-S235 VanDerWaalsContact N-O 3.14Å; H214-R237 CarbonylContact C-O 3.35Å; H214-R237 WeakPolarHBondContact CA-O 3.45Å; H214-R237 HydrophobicContact CB-CB 3.97Å; H214-R237 VanDerWaalsContact CB-O 3.32Å; H214-R237 WeakPolarHBondContact CB-O 3.34Å | ||
| 215 | N | 83.9 | Confident | 79.5 | Confident | 64 Ų | 64 | 43.6 Ų | 43.6 | 34% | 0.342 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 53.1 | 57.5 | -178 | -55.5 | -23.7 | 0 | 0 | 0 | 112.2 | D192 N193 R237 | D192-N215 WeakPolarHBondContact CA-O 3.06Å; D192-N215 PolarHBondContact N-O 3.01Å; D192-N215 WeakPolarHBondContact OD1-CB 3.37Å; D192-N215 PolarHBondContact OD1-ND2 3.45Å; N193-N215 PolarHBondContact N-O 3.03Å; N215-R237 PolarHBondContact N-O 3.2Å |
| 216 | N | 88.1 | Confident | 78.3 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -126.6 | -173.3 | 174.1 | -87.1 | -76.3 | 0 | 0 | 0 | 110.2 | L190 N193 R194 I195 L213 H214 L218 N239 P240 | L190-N216 PolarHBondContact O-ND2 3.06Å; N193-N216 WeakPolarHBondContact CA-OD1 3.21Å; N193-N216 WeakPolarHBondContact CB-OD1 3.3Å; N193-N216 PolarHBondContact O-OD1 3.4Å; R194-N216 PolarHBondContact N-OD1 3.26Å; I195-N216 HydrophobicContact CB-CB 4.32Å; I195-N216 VanDerWaalsContact CB-OD1 3.29Å; I195-N216 WeakPolarHBondContact CB-OD1 3.31Å; I195-N216 WeakPolarHBondContact CG1-OD1 3.2Å; I195-N216 PolarHBondContact N-OD1 3.19Å; L213-N216 PolarHBondContact O-ND2 3.35Å; H214-N216 PolarHBondContact O-ND2 2.91Å; N216-L218 HydrophobicContact CB-CG 4.23Å; N216-N239 VanDerWaalsContact CA-OD1 3.27Å; N216-N239 WeakPolarHBondContact CA-OD1 3.44Å; N216-N239 WeakPolarHBondContact CB-OD1 3.45Å; N216-N239 PolarHBondContact N-OD1 3.11Å; N216-N239 PolarHBondContact O-OD1 3.28Å; N216-N239 VanDerWaalsContact O-OD1 3.12Å; N216-P240 WeakPolarHBondContact O-CD 3.38Å |
| 217 | L | 85 | Confident | 77.8 | Confident | 87 Ų | 87 | 44.1 Ų | 44.1 | 46% | 0.455 | 22% | 0.218 | S | C | . | . | trans | -105.7 | 23.3 | -179.2 | -60.2 | 177.1 | 0 | 0 | 0 | 112.3 | R194 I195 Q196 T219 | R194-L217 HydrophobicContact CB-CD1 4.13Å; I195-L217 CarbonylContact O-C 3.23Å; I195-L217 VanDerWaalsContact O-CA 3.31Å; I195-L217 WeakPolarHBondContact O-CA 3.36Å; I195-L217 PolarHBondContact O-N 3.43Å; Q196-L217 HydrophobicContact CG-CB 4.32Å; L217-T219 PolarHBondContact O-N 3.32Å | ||
| 218 | L | 79.6 | Confident | 77 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -62.8 | 124.7 | -175.4 | -62.7 | 173.3 | 0 | 0 | 0 | 111 | I195 V198 L213 N216 L221 L236 N239 P240 L241 | I195-L218 HydrophobicContact CB-CD2 4.41Å; I195-L218 HydrophobicContact CG2-CD2 3.81Å; I195-L218 PolarHBondContact O-N 2.75Å; I195-L218 VanDerWaalsContact O-N 3.09Å; V198-L218 HydrophobicContact CG2-CD1 4.28Å; V198-L218 HydrophobicContact CG2-CD2 3.85Å; L213-L218 HydrophobicContact CB-CD1 3.94Å; L213-L218 HydrophobicContact CD1-CD1 4.1Å; L213-L218 HydrophobicContact CD2-CD1 4.45Å; L213-L218 HydrophobicContact CG-CD1 4.4Å; N216-L218 HydrophobicContact CB-CG 4.23Å; L218-L221 HydrophobicContact CD1-CD2 4.22Å; L218-L236 HydrophobicContact CD1-CD2 4.23Å; L218-N239 HydrophobicContact CB-CB 4.14Å; L218-N239 WeakPolarHBondContact CB-OD1 3.21Å; L218-N239 VanDerWaalsContact CG-OD1 3.3Å; L218-N239 WeakPolarHBondContact CG-OD1 3.38Å; L218-N239 PolarHBondContact N-OD1 3.46Å; L218-P240 CarbonylContact O-C 3.29Å; L218-P240 VanDerWaalsContact O-C 3.23Å; L218-P240 WeakPolarHBondContact O-CD 3.18Å; L218-L241 HydrophobicContact CB-CD2 3.82Å; L218-L241 WeakPolarHBondContact O-CD2 3.41Å; L218-L241 PolarHBondContact O-N 3.09Å; L218-L241 VanDerWaalsContact O-N 3.08Å | ||
| 219 | T | 71.6 | Confident | 76.2 | Confident | 42 Ų | 42 | 47.2 Ų | 47.2 | 26% | 0.258 | 24% | 0.235 | S | C | . | . | trans | -101.7 | -18.3 | 177.5 | 56.2 | 0 | 0 | 0 | 0 | 113.6 | Q196 L217 P240 | Q196-T219 PolarHBondContact O-N 2.89Å; L217-T219 PolarHBondContact O-N 3.32Å; T219-P240 HydrophobicContact CG2-CG 4.38Å | ||
| 220 | Y | 68 | Low | 75.9 | Confident | 120 Ų | 120 | 45.8 Ų | 45.8 | 47% | 0.471 | 23% | 0.233 | S | C | . | . | trans | -157 | 169 | 173.4 | 63.9 | -85.8 | 0 | 0 | 0 | 109.8 | ||||
| 221 | L | 71.9 | Confident | 75.5 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | trans | -118.7 | 145.4 | 168.2 | -68.5 | 170.8 | 0 | 0 | 0 | 109.9 | V198 L218 L236 L241 | V198-L221 HydrophobicContact CG2-CD2 3.96Å; L218-L221 HydrophobicContact CD1-CD2 4.22Å; L221-L236 HydrophobicContact CD1-CD1 3.57Å; L221-L236 HydrophobicContact CD1-CD2 3.87Å; L221-L236 HydrophobicContact CD1-CG 4.39Å; L221-L236 HydrophobicContact CD2-CD2 4.14Å; L221-L241 HydrophobicContact CG-CD2 4.35Å | ||
| 222 | P | 70.8 | Confident | 74.8 | Confident | 14 Ų | 14 | 47.8 Ų | 47.8 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | trans | -62.6 | 150.7 | 170.6 | 28 | -34 | 0 | 0 | 0 | 110.1 | V198 P200 E224 I225 | V198-P222 HydrophobicContact CB-CG 4.16Å; V198-P222 HydrophobicContact CG1-CG 4.18Å; V198-P222 WeakPolarHBondContact O-CG 3.3Å; P200-P222 HydrophobicContact CB-CB 4.05Å; P222-E224 VanDerWaalsContact CB-OE2 3.25Å; P222-E224 WeakPolarHBondContact CB-OE2 3.31Å; P222-E224 PolarHBondContact O-N 3.13Å; P222-I225 HydrophobicContact CG-CB 4.48Å; P222-I225 WeakPolarHBondContact O-CB 3.39Å; P222-I225 WeakPolarHBondContact O-CG2 3.49Å; P222-I225 PolarHBondContact O-N 3.17Å | ||
| 223 | R | 61.8 | Low | 74.1 | Confident | 99 Ų | 99 | 50.8 Ų | 50.8 | 37% | 0.374 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -71.7 | -27.6 | 177.6 | -61.3 | 174.2 | -158.5 | -148.3 | -2.7 | 111.2 | I225 L226 R305 I307 | R223-I225 PolarHBondContact O-N 3.29Å; R223-L226 VanDerWaalsContact O-CB 3.24Å; R223-L226 WeakPolarHBondContact O-CB 3.23Å; R223-L226 VanDerWaalsContact O-CD1 3.25Å; R223-L226 WeakPolarHBondContact O-CD1 3.07Å; R223-L226 WeakPolarHBondContact O-CG 2.89Å; R223-L226 PolarHBondContact O-N 3.22Å; R223-R305 PolarHBondContact NH1-O 3.18Å; R223-R305 PolarHBondContact NH2-O 3Å; R223-I307 HydrophobicContact CG-CD1 3.72Å; R223-I307 HydrophobicContact CG-CG1 4.33Å |
| 224 | E | 71.9 | Confident | 73.8 | Confident | 89 Ų | 89 | 51.6 Ų | 51.6 | 42% | 0.416 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -61.5 | -21.4 | -180 | -60.4 | 70.8 | -157.9 | 0 | 0 | 110.9 | P200 A203 P222 L226 S227 | P200-E224 HydrophobicContact CB-CB 4.18Å; P200-E224 HydrophobicContact CB-CG 3.89Å; A203-E224 HydrophobicContact CB-CB 3.59Å; A203-E224 WeakPolarHBondContact CB-O 3.25Å; P222-E224 VanDerWaalsContact CB-OE2 3.25Å; P222-E224 WeakPolarHBondContact CB-OE2 3.31Å; P222-E224 PolarHBondContact O-N 3.13Å; E224-L226 PolarHBondContact O-N 3.07Å; E224-S227 PolarHBondContact O-N 2.68Å; E224-S227 PolarHBondContact O-OG 3.44Å |
| 225 | I | 70.9 | Confident | 73.3 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 9% | 0.087 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -55.9 | -24.5 | 171.4 | -153 | 73.2 | 0 | 0 | 0 | 112.8 | L211 P222 R223 S227 L228 | L211-I225 HydrophobicContact CD2-CD1 3.9Å; P222-I225 HydrophobicContact CG-CB 4.48Å; P222-I225 WeakPolarHBondContact O-CB 3.39Å; P222-I225 WeakPolarHBondContact O-CG2 3.49Å; P222-I225 PolarHBondContact O-N 3.17Å; R223-I225 PolarHBondContact O-N 3.29Å; I225-S227 VanDerWaalsContact C-N 3.27Å; I225-S227 PolarHBondContact O-N 3.01Å; I225-L228 HydrophobicContact CD1-CD1 3.56Å; I225-L228 HydrophobicContact CG1-CD1 4.02Å; I225-L228 WeakPolarHBondContact O-CB 3.17Å; I225-L228 PolarHBondContact O-N 3.02Å |
| 226 | L | 63.1 | Low | 72.8 | Confident | 74 Ų | 74 | 47.3 Ų | 47.3 | 39% | 0.387 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -74.7 | -12.5 | 178.9 | -56.2 | 162 | 0 | 0 | 0 | 113.1 | R223 E224 L228 M321 Y323 | R223-L226 VanDerWaalsContact O-CB 3.24Å; R223-L226 WeakPolarHBondContact O-CB 3.23Å; R223-L226 VanDerWaalsContact O-CD1 3.25Å; R223-L226 WeakPolarHBondContact O-CD1 3.07Å; R223-L226 WeakPolarHBondContact O-CG 2.89Å; R223-L226 PolarHBondContact O-N 3.22Å; E224-L226 PolarHBondContact O-N 3.07Å; L226-L228 VanDerWaalsContact C-N 3.32Å; L226-M321 HydrophobicContact CD1-CB 3.5Å; L226-M321 VanDerWaalsContact CD1-CB 3.5Å; L226-M321 HydrophobicContact CD1-CE 4.05Å; L226-M321 HydrophobicContact CD1-CG 3.89Å; L226-M321 HydrophobicContact CD2-CB 4.46Å; L226-Y323 HydrophobicContact CB-CD2 4.48Å; L226-Y323 HydrophobicContact CD1-CD2 4.1Å |
| 227 | S | 70.4 | Confident | 72.1 | Confident | 57 Ų | 57 | 54 Ų | 54 | 40% | 0.399 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -88.3 | 3.2 | 173.8 | 73.6 | 0 | 0 | 0 | 0 | 113.6 | E224 I225 V229 | E224-S227 PolarHBondContact O-N 2.68Å; E224-S227 PolarHBondContact O-OG 3.44Å; I225-S227 VanDerWaalsContact C-N 3.27Å; I225-S227 PolarHBondContact O-N 3.01Å; S227-V229 PolarHBondContact O-N 2.73Å |
| 228 | L | 71.4 | Confident | 71.3 | Confident | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.052 | 26% | 0.262 | C | S | . | . | trans | -77.4 | 76 | 171.2 | -63.7 | 175.4 | 0 | 0 | 0 | 109.8 | L205 L208 I225 L226 H230 L231 | L205-L228 HydrophobicContact CB-CD2 4.23Å; L205-L228 VanDerWaalsContact O-CD2 3.31Å; L205-L228 WeakPolarHBondContact O-CD2 3.43Å; L208-L228 HydrophobicContact CD2-CD1 4.18Å; I225-L228 HydrophobicContact CD1-CD1 3.56Å; I225-L228 HydrophobicContact CG1-CD1 4.02Å; I225-L228 WeakPolarHBondContact O-CB 3.17Å; I225-L228 PolarHBondContact O-N 3.02Å; L226-L228 VanDerWaalsContact C-N 3.32Å; L228-H230 VanDerWaalsContact C-N 3.31Å; L228-H230 PolarHBondContact O-N 3.48Å; L228-L231 HydrophobicContact CB-CB 3.83Å; L228-L231 HydrophobicContact CB-CD2 4.29Å; L228-L231 HydrophobicContact CD1-CD2 4Å; L228-L231 VanDerWaalsContact O-CB 3.31Å; L228-L231 WeakPolarHBondContact O-CB 3.3Å; L228-L231 PolarHBondContact O-N 3.01Å; L228-L231 VanDerWaalsContact O-N 3.13Å | ||
| 229 | V | 70.9 | Confident | 71 | Confident | 94 Ų | 94 | 53 Ų | 53 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -42 | -172.1 | -175 | 0 | 0 | 0 | 0 | 112.5 | S227 L231 D352 | S227-V229 PolarHBondContact O-N 2.73Å; V229-L231 VanDerWaalsContact C-N 3.32Å; V229-L231 PolarHBondContact O-N 3.27Å; V229-D352 VanDerWaalsContact O-O 3.09Å |
| 230 | H | 74.9 | Confident | 70.9 | Confident | 88 Ų | 88 | 52.9 Ų | 52.9 | 41% | 0.407 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 5.8 | -177.5 | -54 | 109.5 | 0 | 0 | 0 | 114.5 | H206 L208 R209 L228 Q232 | H206-H230 PolarHBondContact O-ND1 3.1Å; L208-H230 CarbonylContact O-C 3.23Å; L208-H230 VanDerWaalsContact O-C 3.24Å; R209-H230 WeakPolarHBondContact CA-O 3.31Å; L228-H230 VanDerWaalsContact C-N 3.31Å; L228-H230 PolarHBondContact O-N 3.48Å; H230-Q232 PolarHBondContact O-N 3.36Å |
| 231 | L | 73.1 | Confident | 70.8 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | trans | -71.7 | 113.1 | -179.9 | -174.2 | 69.3 | 0 | 0 | 0 | 109.4 | L208 L211 L228 V229 E233 L234 L354 | L208-L231 HydrophobicContact CD2-CD1 4.2Å; L208-L231 HydrophobicContact CG-CD1 4.13Å; L208-L231 WeakPolarHBondContact O-CA 3.48Å; L208-L231 PolarHBondContact O-N 3.47Å; L208-L231 VanDerWaalsContact O-N 3.17Å; L211-L231 HydrophobicContact CB-CD1 3.78Å; L228-L231 HydrophobicContact CB-CB 3.83Å; L228-L231 HydrophobicContact CB-CD2 4.29Å; L228-L231 HydrophobicContact CD1-CD2 4Å; L228-L231 VanDerWaalsContact O-CB 3.31Å; L228-L231 WeakPolarHBondContact O-CB 3.3Å; L228-L231 PolarHBondContact O-N 3.01Å; L228-L231 VanDerWaalsContact O-N 3.13Å; V229-L231 VanDerWaalsContact C-N 3.32Å; V229-L231 PolarHBondContact O-N 3.27Å; L231-E233 WeakPolarHBondContact CD1-O 3.38Å; L231-L234 HydrophobicContact CD2-CB 4.28Å; L231-L234 HydrophobicContact CD2-CD2 4.47Å; L231-L354 HydrophobicContact CB-CD1 4.11Å; L231-L354 HydrophobicContact CD2-CD1 3.68Å; L231-L354 HydrophobicContact CG-CD1 3.82Å; L231-L354 WeakPolarHBondContact O-CA 3.47Å; L231-L354 WeakPolarHBondContact O-CB 3.49Å; L231-L354 WeakPolarHBondContact O-CG 3.35Å | ||
| 232 | Q | 73.3 | Confident | 69.9 | Low | 50 Ų | 50 | 49.2 Ų | 49.2 | 23% | 0.234 | 26% | 0.258 | C | S | . | . | trans | -94.1 | -35.5 | -178.7 | -69.6 | 171 | -25 | 0 | 0 | 111.7 | R209 H230 A351 Q355 R356 | R209-Q232 WeakPolarHBondContact O-CA 3.5Å; R209-Q232 PolarHBondContact O-N 2.91Å; H230-Q232 PolarHBondContact O-N 3.36Å; Q232-A351 PolarHBondContact NE2-O 3.06Å; Q232-Q355 HydrophobicContact CB-CG 4.29Å; Q232-Q355 HydrophobicContact CG-CG 4.38Å; Q232-Q355 PolarHBondContact O-N 3.23Å; Q232-R356 PolarHBondContact O-N 3.07Å | ||
| 233 | E | 70.2 | Confident | 69 | Low | 85 Ų | 85 | 52.6 Ų | 52.6 | 40% | 0.397 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.2 | -176.4 | -59.3 | -174.6 | 138.9 | 0 | 0 | 112.3 | R209 S210 L211 L231 R356 | R209-E233 PolarHBondContact O-N 3.1Å; S210-E233 WeakPolarHBondContact CA-O 3.47Å; S210-E233 PolarHBondContact OG-OE2 3.08Å; L211-E233 PolarHBondContact N-O 2.91Å; L231-E233 WeakPolarHBondContact CD1-O 3.38Å; E233-R356 WeakPolarHBondContact CA-O 3.43Å |
| 234 | L | 77.4 | Confident | 68.2 | Low | 17 Ų | 17 | 54.9 Ų | 54.9 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 112.2 | 175.8 | 179 | 57.1 | 0 | 0 | 0 | 110.8 | L211 L231 L236 L354 R356 V357 L358 | L211-L234 HydrophobicContact CB-CD1 4.05Å; L211-L234 HydrophobicContact CD2-CD1 3.94Å; L211-L234 HydrophobicContact CG-CD1 3.96Å; L211-L234 WeakPolarHBondContact O-CA 2.98Å; L231-L234 HydrophobicContact CD2-CB 4.28Å; L231-L234 HydrophobicContact CD2-CD2 4.47Å; L234-L236 HydrophobicContact CD1-CD1 4.39Å; L234-L236 HydrophobicContact CD1-CD2 4.26Å; L234-L236 HydrophobicContact CD1-CG 4.14Å; L234-L236 HydrophobicContact CD2-CD1 3.94Å; L234-L236 HydrophobicContact CG-CD1 3.89Å; L234-L236 HydrophobicContact CG-CG 4.01Å; L234-L354 HydrophobicContact CB-CD1 4.31Å; L234-R356 PolarHBondContact N-O 3Å; L234-V357 WeakPolarHBondContact O-CA 3.47Å; L234-L358 PolarHBondContact O-N 3.15Å |
| 235 | S | 71.3 | Confident | 67 | Low | 14 Ų | 14 | 53.3 Ų | 53.3 | 10% | 0.098 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 118.4 | -179.2 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | L211 L213 H214 | L211-S235 PolarHBondContact O-N 3.13Å; L213-S235 CarbonylContact C-O 3.59Å; L213-S235 WeakPolarHBondContact CA-O 3.02Å; L213-S235 PolarHBondContact N-O 3.24Å; H214-S235 PolarHBondContact N-O 3.24Å; H214-S235 VanDerWaalsContact N-O 3.14Å |
| 236 | L | 72.9 | Confident | 65.7 | Low | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | trans | -127.8 | -0.9 | -172 | -68.2 | 167 | 0 | 0 | 0 | 113.8 | L213 L218 L221 L234 N239 L241 L358 L359 | L213-L236 HydrophobicContact CB-CD2 4.13Å; L213-L236 HydrophobicContact CD1-CD2 4.34Å; L218-L236 HydrophobicContact CD1-CD2 4.23Å; L221-L236 HydrophobicContact CD1-CD1 3.57Å; L221-L236 HydrophobicContact CD1-CD2 3.87Å; L221-L236 HydrophobicContact CD1-CG 4.39Å; L221-L236 HydrophobicContact CD2-CD2 4.14Å; L234-L236 HydrophobicContact CD1-CD1 4.39Å; L234-L236 HydrophobicContact CD1-CD2 4.26Å; L234-L236 HydrophobicContact CD1-CG 4.14Å; L234-L236 HydrophobicContact CD2-CD1 3.94Å; L234-L236 HydrophobicContact CG-CD1 3.89Å; L234-L236 HydrophobicContact CG-CG 4.01Å; L236-N239 WeakPolarHBondContact O-CB 3.38Å; L236-N239 PolarHBondContact O-ND2 3.4Å; L236-L241 HydrophobicContact CB-CD1 4.24Å; L236-L358 CarbonylContact C-O 3.43Å; L236-L358 PolarHBondContact N-O 2.89Å; L236-L359 HydrophobicContact CB-CD2 3.81Å; L236-L359 HydrophobicContact CD1-CD2 4.04Å | ||
| 237 | R | 72.8 | Confident | 64.8 | Low | 145 Ų | 145 | 58.7 Ų | 58.7 | 55% | 0.547 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -39.3 | 142.2 | 173.1 | 163.2 | 157.7 | -167.3 | 110.6 | -9.2 | 113.2 | H214 N215 N239 L358 G360 | H214-R237 CarbonylContact C-O 3.35Å; H214-R237 WeakPolarHBondContact CA-O 3.45Å; H214-R237 HydrophobicContact CB-CB 3.97Å; H214-R237 VanDerWaalsContact CB-O 3.32Å; H214-R237 WeakPolarHBondContact CB-O 3.34Å; N215-R237 PolarHBondContact N-O 3.2Å; R237-N239 VanDerWaalsContact C-N 3.33Å; R237-N239 PolarHBondContact O-N 2.91Å; R237-N239 PolarHBondContact O-ND2 3.25Å; R237-L358 PolarHBondContact N-O 3.09Å; R237-L358 VanDerWaalsContact N-O 3.08Å; R237-G360 WeakPolarHBondContact CB-O 3.36Å; R237-G360 WeakPolarHBondContact CD-O 3.33Å; R237-G360 WeakPolarHBondContact CG-O 3.08Å; R237-G360 PolarHBondContact NH1-O 3.47Å |
| 238 | G | 70.2 | Confident | 63.4 | Low | 44 Ų | 44 | 62.2 Ų | 62.2 | 45% | 0.454 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.5 | 23.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 239 | N | 71.9 | Confident | 62 | Low | 21 Ų | 21 | 65.7 Ų | 65.7 | 11% | 0.112 | 33% | 0.329 | C | S | . | . | trans | -107.5 | 144.4 | 174.2 | -78.9 | -87.3 | 0 | 0 | 0 | 112.7 | L213 N216 L218 L236 R237 L241 | L213-N239 PolarHBondContact O-ND2 3.36Å; N216-N239 VanDerWaalsContact CA-OD1 3.27Å; N216-N239 WeakPolarHBondContact CA-OD1 3.44Å; N216-N239 WeakPolarHBondContact CB-OD1 3.45Å; N216-N239 PolarHBondContact N-OD1 3.11Å; N216-N239 PolarHBondContact O-OD1 3.28Å; N216-N239 VanDerWaalsContact O-OD1 3.12Å; L218-N239 HydrophobicContact CB-CB 4.14Å; L218-N239 WeakPolarHBondContact CB-OD1 3.21Å; L218-N239 VanDerWaalsContact CG-OD1 3.3Å; L218-N239 WeakPolarHBondContact CG-OD1 3.38Å; L218-N239 PolarHBondContact N-OD1 3.46Å; L236-N239 WeakPolarHBondContact O-CB 3.38Å; L236-N239 PolarHBondContact O-ND2 3.4Å; R237-N239 VanDerWaalsContact C-N 3.33Å; R237-N239 PolarHBondContact O-N 2.91Å; R237-N239 PolarHBondContact O-ND2 3.25Å; N239-L241 HydrophobicContact CB-CD1 4.23Å; N239-L241 HydrophobicContact CB-CG 3.9Å; N239-L241 PolarHBondContact O-N 3.2Å | ||
| 240 | P | 70.2 | Confident | 60.8 | Low | 40 Ų | 40 | 68.1 Ų | 68.1 | 26% | 0.26 | 34% | 0.336 | S | S | . | . | trans | -77.3 | 37.1 | 178.5 | 34.6 | -37.8 | 0 | 0 | 0 | 114.6 | N216 L218 T219 V242 V243 | N216-P240 WeakPolarHBondContact O-CD 3.38Å; L218-P240 CarbonylContact O-C 3.29Å; L218-P240 VanDerWaalsContact O-C 3.23Å; L218-P240 WeakPolarHBondContact O-CD 3.18Å; T219-P240 HydrophobicContact CG2-CG 4.38Å; P240-V242 PolarHBondContact O-N 3.33Å; P240-V243 HydrophobicContact CB-CB 4.5Å; P240-V243 HydrophobicContact CB-CG2 3.76Å; P240-V243 PolarHBondContact O-N 3.42Å; P240-V243 VanDerWaalsContact O-N 3.11Å | ||
| 241 | L | 66 | Low | 59.5 | Low | 12 Ų | 12 | 73.3 Ų | 73.3 | 6% | 0.063 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -16.2 | -178.8 | -66.1 | 169.7 | 0 | 0 | 0 | 113.8 | L218 L221 L236 N239 F309 L359 | L218-L241 HydrophobicContact CB-CD2 3.82Å; L218-L241 WeakPolarHBondContact O-CD2 3.41Å; L218-L241 PolarHBondContact O-N 3.09Å; L218-L241 VanDerWaalsContact O-N 3.08Å; L221-L241 HydrophobicContact CG-CD2 4.35Å; L236-L241 HydrophobicContact CB-CD1 4.24Å; N239-L241 HydrophobicContact CB-CD1 4.23Å; N239-L241 HydrophobicContact CB-CG 3.9Å; N239-L241 PolarHBondContact O-N 3.2Å; L241-F309 HydrophobicContact CD1-CZ 4.27Å; L241-L359 HydrophobicContact CD1-CD2 4.27Å |
| 242 | V | 52 | Low | 58.3 | Low | 56 Ų | 56 | 80 Ų | 80 | 34% | 0.339 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -26 | -176 | -160.8 | 0 | 0 | 0 | 0 | 114 | P240 R244 F245 V246 L318 | P240-V242 PolarHBondContact O-N 3.33Å; V242-R244 PolarHBondContact O-N 3.22Å; V242-F245 PolarHBondContact O-N 3.38Å; V242-V246 HydrophobicContact CG1-CG2 3.84Å; V242-V246 PolarHBondContact O-N 3.21Å; V242-L318 HydrophobicContact CB-CD1 4.38Å; V242-L318 HydrophobicContact CB-CD2 3.87Å; V242-L318 HydrophobicContact CB-CG 4.33Å; V242-L318 HydrophobicContact CG1-CD1 3.88Å; V242-L318 HydrophobicContact CG1-CD2 3.76Å; V242-L318 HydrophobicContact CG1-CG 3.72Å; V242-L318 HydrophobicContact CG2-CD1 3.92Å; V242-L318 HydrophobicContact CG2-CD2 3.93Å; V242-L318 HydrophobicContact CG2-CG 4.35Å |
| 243 | V | 51.7 | Low | 57.5 | Low | 84 Ų | 84 | 82.4 Ų | 82.4 | 51% | 0.509 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -72 | -36.8 | -157 | -178.6 | 0 | 0 | 0 | 0 | 112.6 | P240 K247 | P240-V243 HydrophobicContact CB-CB 4.5Å; P240-V243 HydrophobicContact CB-CG2 3.76Å; P240-V243 PolarHBondContact O-N 3.42Å; P240-V243 VanDerWaalsContact O-N 3.11Å; V243-K247 PolarHBondContact O-N 2.71Å |
| 244 | R | 46.4 | Very low | 56.9 | Low | 148 Ų | 148 | 81 Ų | 81 | 56% | 0.558 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -69.3 | -44.6 | 177.9 | -130.6 | -179 | -178.5 | 144 | 2.2 | 111.6 | V242 V246 K247 E248 | V242-R244 PolarHBondContact O-N 3.22Å; R244-V246 VanDerWaalsContact C-N 3.34Å; R244-V246 PolarHBondContact O-N 3.29Å; R244-K247 PolarHBondContact O-N 3.18Å; R244-K247 VanDerWaalsContact O-N 3.17Å; R244-E248 IonicContact NE-OE1 2.7Å; R244-E248 PolarHBondContact O-N 3.02Å; R244-E248 VanDerWaalsContact O-N 3.1Å |
| 245 | F | 45.4 | Very low | 56.5 | Low | 55 Ų | 55 | 83.5 Ų | 83.5 | 24% | 0.241 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.6 | -42.8 | -179.6 | -174.3 | -81.8 | 0 | 0 | 0 | 112.1 | V242 K247 E248 M249 R317 P319 | V242-F245 PolarHBondContact O-N 3.38Å; F245-K247 VanDerWaalsContact C-N 3.34Å; F245-K247 PolarHBondContact O-N 2.85Å; F245-E248 PolarHBondContact O-N 2.98Å; F245-M249 HydrophobicContact CD1-CB 4.41Å; F245-M249 HydrophobicContact CE1-CB 3.95Å; F245-M249 HydrophobicContact CE1-CG 4.06Å; F245-M249 HydrophobicContact CE1-SD 3.51Å; F245-M249 VanDerWaalsContact CE1-SD 3.51Å; F245-M249 HydrophobicContact CZ-CB 4.37Å; F245-M249 HydrophobicContact CZ-CG 4.19Å; F245-M249 HydrophobicContact CZ-SD 3.82Å; F245-M249 WeakPolarHBondContact O-CB 3.39Å; F245-M249 PolarHBondContact O-N 3.25Å; F245-R317 WeakPolarHBondContact CD1-O 3.45Å; F245-R317 HydrophobicContact CE1-CB 3.51Å; F245-R317 WeakPolarHBondContact CE1-O 3.5Å; F245-R317 HydrophobicContact CZ-CB 3.57Å; F245-P319 HydrophobicContact CB-CG 4.48Å; F245-P319 HydrophobicContact CD2-CB 4.39Å; F245-P319 HydrophobicContact CD2-CG 3.86Å; F245-P319 HydrophobicContact CG-CG 4.42Å |
| 246 | V | 45.3 | Very low | 56.5 | Low | 50 Ų | 50 | 90.1 Ų | 90.1 | 30% | 0.303 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.1 | -34.4 | 178.8 | 176.1 | 0 | 0 | 0 | 0 | 112.4 | V242 R244 M250 Y316 | V242-V246 HydrophobicContact CG1-CG2 3.84Å; V242-V246 PolarHBondContact O-N 3.21Å; R244-V246 VanDerWaalsContact C-N 3.34Å; R244-V246 PolarHBondContact O-N 3.29Å; V246-M250 WeakPolarHBondContact O-CG 3.4Å; V246-Y316 HydrophobicContact CG2-CD1 4.05Å |
| 247 | K | 42.9 | Very low | 56.5 | Low | 154 Ų | 154 | 93.7 Ų | 93.7 | 67% | 0.67 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -70.4 | -41.6 | 175.9 | -83.8 | -171.4 | 172.5 | -175.9 | 0 | 113 | V243 R244 F245 | V243-K247 PolarHBondContact O-N 2.71Å; R244-K247 PolarHBondContact O-N 3.18Å; R244-K247 VanDerWaalsContact O-N 3.17Å; F245-K247 VanDerWaalsContact C-N 3.34Å; F245-K247 PolarHBondContact O-N 2.85Å |
| 248 | E | 42.3 | Very low | 56.2 | Low | 131 Ų | 131 | 88.3 Ų | 88.3 | 61% | 0.612 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -77.7 | -34.8 | -176.8 | -71.1 | 170.4 | -162.3 | 0 | 0 | 112 | R244 F245 M250 | R244-E248 IonicContact NE-OE1 2.7Å; R244-E248 PolarHBondContact O-N 3.02Å; R244-E248 VanDerWaalsContact O-N 3.1Å; F245-E248 PolarHBondContact O-N 2.98Å; E248-M250 PolarHBondContact O-N 3.4Å |
| 249 | M | 41.2 | Very low | 56 | Low | 83 Ų | 83 | 90.5 Ų | 90.5 | 41% | 0.409 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -72.6 | -10.2 | 179.3 | -153.2 | -162.2 | 73.8 | 0 | 0 | 114.3 | F245 Y251 R317 | F245-M249 HydrophobicContact CD1-CB 4.41Å; F245-M249 HydrophobicContact CE1-CB 3.95Å; F245-M249 HydrophobicContact CE1-CG 4.06Å; F245-M249 HydrophobicContact CE1-SD 3.51Å; F245-M249 VanDerWaalsContact CE1-SD 3.51Å; F245-M249 HydrophobicContact CZ-CB 4.37Å; F245-M249 HydrophobicContact CZ-CG 4.19Å; F245-M249 HydrophobicContact CZ-SD 3.82Å; F245-M249 WeakPolarHBondContact O-CB 3.39Å; F245-M249 PolarHBondContact O-N 3.25Å; M249-Y251 PolarHBondContact O-N 2.68Å; M249-R317 HydrophobicContact SD-CB 3.86Å; M249-R317 HydrophobicContact SD-CG 4.2Å |
| 250 | M | 46.2 | Very low | 56.2 | Low | 146 Ų | 146 | 91.8 Ų | 91.8 | 72% | 0.719 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -72.6 | -8 | 177.4 | -84.7 | -173.3 | 65.2 | 0 | 0 | 114.4 | V246 E248 | V246-M250 WeakPolarHBondContact O-CG 3.4Å; E248-M250 PolarHBondContact O-N 3.4Å |
| 251 | Y | 46.3 | Very low | 56.4 | Low | 197 Ų | 197 | 90 Ų | 90 | 77% | 0.773 | 46% | 0.463 | S | S | * | . | G | 310 helix | trans | -114.3 | -3.7 | -169 | -74.4 | -78.3 | 0 | 0 | 0 | 116.6 | M249 | M249-Y251 PolarHBondContact O-N 2.68Š|
| 252 | D | 47.9 | Very low | 56.6 | Low | 143 Ų | 143 | 92.6 Ų | 92.6 | 77% | 0.765 | 47% | 0.472 | S | S | * | . | trans | -118.8 | 94.8 | 175.1 | -162.5 | 23.5 | 0 | 0 | 0 | 111 | ||||
| 253 | P | 56.4 | Low | 57.6 | Low | 100 Ų | 100 | 92.4 Ų | 92.4 | 65% | 0.649 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 144.9 | 179 | 28.9 | -33.6 | 0 | 0 | 0 | 110.6 | S255 | P253-S255 PolarHBondContact O-N 3.12Š|
| 254 | P | 59.2 | Low | 58.9 | Low | 56 Ų | 56 | 90.1 Ų | 90.1 | 36% | 0.364 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 131.4 | 178.5 | 26.3 | -34.9 | 0 | 0 | 0 | 110.4 | E258 L259 | P254-E258 WeakPolarHBondContact CB-OE2 3.25Å; P254-L259 HydrophobicContact CG-CD1 4.23Å |
| 255 | S | 69.1 | Low | 60.2 | Low | 68 Ų | 68 | 85.2 Ų | 85.2 | 48% | 0.476 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 152.7 | 177.2 | 69.4 | 0 | 0 | 0 | 0 | 111.4 | P253 L257 E258 L259 | P253-S255 PolarHBondContact O-N 3.12Å; S255-L257 PolarHBondContact O-N 3.42Å; S255-L257 VanDerWaalsContact O-N 3.13Å; S255-E258 PolarHBondContact O-N 2.97Å; S255-E258 PolarHBondContact OG-N 3.03Å; S255-L259 PolarHBondContact O-N 3.06Å |
| 256 | L | 70.9 | Confident | 61.5 | Low | 153 Ų | 153 | 85.4 Ų | 85.4 | 80% | 0.801 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -54.8 | -32.7 | 175.6 | -73.7 | 170.7 | 0 | 0 | 0 | 112.3 | A260 | L256-A260 WeakPolarHBondContact O-CB 3.18Å; L256-A260 PolarHBondContact O-N 3.38Å |
| 257 | L | 72.7 | Confident | 63.2 | Low | 81 Ų | 81 | 92.2 Ų | 92.2 | 42% | 0.424 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 174.1 | 175.4 | 61.1 | 0 | 0 | 0 | 112 | S255 G261 L280 Y283 | S255-L257 PolarHBondContact O-N 3.42Å; S255-L257 VanDerWaalsContact O-N 3.13Å; L257-G261 PolarHBondContact O-N 2.85Å; L257-L280 HydrophobicContact CD1-CD2 3.46Å; L257-L280 VanDerWaalsContact CD1-CD2 3.46Å; L257-Y283 HydrophobicContact CD1-CD1 3.9Å; L257-Y283 HydrophobicContact CD1-CE1 3.89Å; L257-Y283 HydrophobicContact CD2-CD1 4.43Å; L257-Y283 HydrophobicContact CD2-CE1 4.25Å; L257-Y283 HydrophobicContact CG-CD1 4.04Å; L257-Y283 HydrophobicContact CG-CE1 3.63Å |
| 258 | E | 65.8 | Low | 64.9 | Low | 33 Ų | 33 | 90.1 Ų | 90.1 | 15% | 0.154 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 177.7 | -162.4 | -167.8 | 174.5 | 0 | 0 | 110.8 | P254 S255 A260 G261 R262 Y283 F300 R317 | P254-E258 WeakPolarHBondContact CB-OE2 3.25Å; S255-E258 PolarHBondContact O-N 2.97Å; S255-E258 PolarHBondContact OG-N 3.03Å; E258-A260 PolarHBondContact O-N 3.01Å; E258-G261 PolarHBondContact O-N 3.09Å; E258-R262 WeakPolarHBondContact O-CG 3.24Å; E258-R262 PolarHBondContact O-N 2.94Å; E258-R262 IonicContact OE1-CZ 3.46Å; E258-R262 IonicContact OE1-NE 3.9Å; E258-R262 PolarHBondContact OE1-NE 2.86Å; E258-R262 IonicContact OE1-NH2 3.38Å; E258-R262 PolarHBondContact OE1-NH2 3.31Å; E258-R262 IonicContact OE2-NH2 3.96Å; E258-R262 PolarHBondContact OE2-NH2 3.42Å; E258-R262 VanDerWaalsContact OE2-NH2 3.08Å; E258-Y283 VanDerWaalsContact CA-OH 3.24Å; E258-Y283 WeakPolarHBondContact CA-OH 3.2Å; E258-Y283 WeakPolarHBondContact CB-OH 3.27Å; E258-Y283 WeakPolarHBondContact CG-OH 3.47Å; E258-F300 HydrophobicContact CB-CE2 4.47Å; E258-F300 HydrophobicContact CG-CD2 3.57Å; E258-F300 HydrophobicContact CG-CE2 3.49Å; E258-F300 VanDerWaalsContact CG-CE2 3.49Å; E258-F300 HydrophobicContact CG-CZ 4.46Å; E258-R317 IonicContact OE1-NH2 3.7Å |
| 259 | L | 66.9 | Low | 66.8 | Low | 89 Ų | 89 | 87.6 Ų | 87.6 | 47% | 0.466 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | -179 | -163.6 | 132.1 | 0 | 0 | 0 | 112.2 | P254 S255 T263 | P254-L259 HydrophobicContact CG-CD1 4.23Å; S255-L259 PolarHBondContact O-N 3.06Å; L259-T263 PolarHBondContact O-N 3.44Å; L259-T263 PolarHBondContact O-OG1 3.25Å |
| 260 | A | 75 | Confident | 68.7 | Low | 49 Ų | 49 | 89.3 Ų | 89.3 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L256 E258 R262 T263 I264 | L256-A260 WeakPolarHBondContact O-CB 3.18Å; L256-A260 PolarHBondContact O-N 3.38Å; E258-A260 PolarHBondContact O-N 3.01Å; A260-R262 PolarHBondContact O-N 3.1Å; A260-T263 WeakPolarHBondContact O-CA 3.46Å; A260-T263 VanDerWaalsContact O-CB 3.31Å; A260-T263 WeakPolarHBondContact O-CB 3.11Å; A260-T263 PolarHBondContact O-N 3.3Å; A260-I264 WeakPolarHBondContact O-CG1 3.31Å; A260-I264 PolarHBondContact O-N 3.05Å |
| 261 | G | 73.9 | Confident | 70.4 | Confident | 2 Ų | 2 | 85.1 Ų | 85.1 | 2% | 0.021 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67.8 | -35.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | L257 E258 T263 I264 K265 L284 | L257-G261 PolarHBondContact O-N 2.85Å; E258-G261 PolarHBondContact O-N 3.09Å; G261-T263 PolarHBondContact O-N 2.97Å; G261-I264 PolarHBondContact O-N 3.1Å; G261-K265 PolarHBondContact O-N 3.08Å; G261-K265 VanDerWaalsContact O-N 3.08Å; G261-L284 VanDerWaalsContact CA-CD2 3.49Å |
| 262 | R | 70.6 | Confident | 72 | Confident | 66 Ų | 66 | 77.6 Ų | 77.6 | 25% | 0.249 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -59.5 | -37.7 | 168.5 | -67.4 | -168.4 | -159.4 | 153.3 | 6.5 | 111.3 | E258 A260 S266 V298 F300 R317 | E258-R262 WeakPolarHBondContact O-CG 3.24Å; E258-R262 PolarHBondContact O-N 2.94Å; E258-R262 IonicContact OE1-CZ 3.46Å; E258-R262 IonicContact OE1-NE 3.9Å; E258-R262 PolarHBondContact OE1-NE 2.86Å; E258-R262 IonicContact OE1-NH2 3.38Å; E258-R262 PolarHBondContact OE1-NH2 3.31Å; E258-R262 IonicContact OE2-NH2 3.96Å; E258-R262 PolarHBondContact OE2-NH2 3.42Å; E258-R262 VanDerWaalsContact OE2-NH2 3.08Å; A260-R262 PolarHBondContact O-N 3.1Å; R262-S266 WeakPolarHBondContact O-CB 3.25Å; R262-S266 PolarHBondContact O-N 2.98Å; R262-S266 PolarHBondContact O-OG 3.31Å; R262-V298 HydrophobicContact CB-CB 4.35Å; R262-V298 HydrophobicContact CG-CB 4.25Å; R262-F300 HydrophobicContact CG-CE2 3.74Å; R262-R317 VanDerWaalsContact NH2-NH2 3.11Å |
| 263 | T | 73.8 | Confident | 73.3 | Confident | 53 Ų | 53 | 75.4 Ų | 75.4 | 33% | 0.325 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 178.7 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | L259 A260 G261 S266 R267 | L259-T263 PolarHBondContact O-N 3.44Å; L259-T263 PolarHBondContact O-OG1 3.25Å; A260-T263 WeakPolarHBondContact O-CA 3.46Å; A260-T263 VanDerWaalsContact O-CB 3.31Å; A260-T263 WeakPolarHBondContact O-CB 3.11Å; A260-T263 PolarHBondContact O-N 3.3Å; G261-T263 PolarHBondContact O-N 2.97Å; T263-S266 PolarHBondContact O-OG 3.17Å; T263-R267 WeakPolarHBondContact O-CB 3.18Å; T263-R267 PolarHBondContact O-N 3.25Å |
| 264 | I | 79.4 | Confident | 74.4 | Confident | 35 Ų | 35 | 81 Ų | 81 | 18% | 0.179 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -57.9 | -52.5 | 176 | -69.4 | 166.5 | 0 | 0 | 0 | 111.1 | A260 G261 N268 I269 Y271 L284 | A260-I264 WeakPolarHBondContact O-CG1 3.31Å; A260-I264 PolarHBondContact O-N 3.05Å; G261-I264 PolarHBondContact O-N 3.1Å; I264-N268 PolarHBondContact O-N 2.97Å; I264-I269 HydrophobicContact CG2-CB 4.23Å; I264-I269 PolarHBondContact O-N 3.17Å; I264-Y271 HydrophobicContact CG2-CD1 3.88Å; I264-Y271 HydrophobicContact CG2-CE1 4.19Å; I264-L284 HydrophobicContact CB-CD2 4.27Å; I264-L284 HydrophobicContact CD1-CD1 4.13Å; I264-L284 HydrophobicContact CD1-CD2 4.07Å; I264-L284 HydrophobicContact CG2-CD1 4.35Å; I264-L284 HydrophobicContact CG2-CD2 4.21Å |
| 265 | K | 73.4 | Confident | 75.3 | Confident | 46 Ų | 46 | 84.1 Ų | 84.1 | 20% | 0.2 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -74.9 | -34.5 | -177.3 | -72.5 | -72.4 | -163.3 | 178.9 | 0 | 114.6 | G261 R267 N268 Y271 L284 A287 K289 V298 | G261-K265 PolarHBondContact O-N 3.08Å; G261-K265 VanDerWaalsContact O-N 3.08Å; K265-R267 VanDerWaalsContact C-N 3.34Å; K265-N268 PolarHBondContact O-N 3.43Å; K265-N268 PolarHBondContact O-OD1 3.1Å; K265-Y271 PolarHBondContact NZ-OH 3.38Å; K265-L284 WeakPolarHBondContact CE-O 3.32Å; K265-L284 PolarHBondContact NZ-O 3.17Å; K265-A287 WeakPolarHBondContact CE-O 3.46Å; K265-A287 HydrophobicContact CG-CB 3.87Å; K265-K289 WeakPolarHBondContact O-CE 3.38Å; K265-V298 HydrophobicContact CB-CG1 3.87Å; K265-V298 HydrophobicContact CB-CG2 3.97Å; K265-V298 HydrophobicContact CG-CG1 4.44Å |
| 266 | S | 73.2 | Confident | 75.8 | Confident | 58 Ų | 58 | 83.2 Ų | 83.2 | 41% | 0.406 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | 177.9 | 56 | 0 | 0 | 0 | 0 | 111.7 | R262 T263 | R262-S266 WeakPolarHBondContact O-CB 3.25Å; R262-S266 PolarHBondContact O-N 2.98Å; R262-S266 PolarHBondContact O-OG 3.31Å; T263-S266 PolarHBondContact O-OG 3.17Å |
| 267 | R | 80.2 | Confident | 76.5 | Confident | 193 Ų | 193 | 79.6 Ų | 79.6 | 73% | 0.728 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 4.2 | 178.2 | -63.4 | -176 | 177.3 | -165.1 | -1.1 | 114.5 | T263 K265 I269 | T263-R267 WeakPolarHBondContact O-CB 3.18Å; T263-R267 PolarHBondContact O-N 3.25Å; K265-R267 VanDerWaalsContact C-N 3.34Å; R267-I269 HydrophobicContact CB-CD1 4.32Å; R267-I269 HydrophobicContact CB-CG1 3.91Å; R267-I269 PolarHBondContact O-N 3.24Å |
| 268 | N | 78.8 | Confident | 76.9 | Confident | 110 Ų | 110 | 80.6 Ų | 80.6 | 59% | 0.588 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 40.9 | -174.5 | -68.5 | -19.4 | 0 | 0 | 0 | 113.3 | I264 K265 P270 K289 | I264-N268 PolarHBondContact O-N 2.97Å; K265-N268 PolarHBondContact O-N 3.43Å; K265-N268 PolarHBondContact O-OD1 3.1Å; N268-P270 WeakPolarHBondContact O-CD 3.33Å; N268-K289 WeakPolarHBondContact OD1-CE 3.47Å; N268-K289 PolarHBondContact OD1-NZ 3.44Å |
| 269 | I | 82.8 | Confident | 77.5 | Confident | 78 Ų | 78 | 83.8 Ų | 83.8 | 40% | 0.4 | 45% | 0.446 | S | S | . | . | trans | -67.8 | 122.6 | 178.2 | -57.7 | -178.8 | 0 | 0 | 0 | 108.1 | I264 R267 | I264-I269 HydrophobicContact CG2-CB 4.23Å; I264-I269 PolarHBondContact O-N 3.17Å; R267-I269 HydrophobicContact CB-CD1 4.32Å; R267-I269 HydrophobicContact CB-CG1 3.91Å; R267-I269 PolarHBondContact O-N 3.24Å | ||
| 270 | P | 80.3 | Confident | 78.1 | Confident | 119 Ų | 119 | 82.1 Ų | 82.1 | 77% | 0.773 | 44% | 0.437 | S | S | * | . | trans | -67.4 | 142.9 | 177.2 | 28.9 | -34.5 | 0 | 0 | 0 | 110.2 | N268 | N268-P270 WeakPolarHBondContact O-CD 3.33Š| ||
| 271 | Y | 82.3 | Confident | 78.3 | Confident | 59 Ų | 59 | 80.6 Ų | 80.6 | 23% | 0.231 | 42% | 0.422 | C | S | . | . | trans | -139.2 | 141.4 | 173.8 | 56.6 | -89.6 | 0 | 0 | 0 | 110.2 | I264 K265 M276 V281 L284 D285 | I264-Y271 HydrophobicContact CG2-CD1 3.88Å; I264-Y271 HydrophobicContact CG2-CE1 4.19Å; K265-Y271 PolarHBondContact NZ-OH 3.38Å; Y271-M276 HydrophobicContact CD2-CE 4.24Å; Y271-M276 HydrophobicContact CG-CE 3.89Å; Y271-V281 HydrophobicContact CE2-CG1 4.3Å; Y271-L284 HydrophobicContact CD1-CD1 4.24Å; Y271-L284 HydrophobicContact CD2-CD1 4.31Å; Y271-L284 HydrophobicContact CE1-CB 4.28Å; Y271-L284 HydrophobicContact CE1-CD1 4.31Å; Y271-L284 HydrophobicContact CE2-CB 4.22Å; Y271-L284 HydrophobicContact CE2-CD1 4.37Å; Y271-L284 HydrophobicContact CG-CD1 4.25Å; Y271-D285 PolarHBondContact OH-OD1 2.93Å | ||
| 272 | S | 79.2 | Confident | 78.6 | Confident | 38 Ų | 38 | 89.2 Ų | 89.2 | 27% | 0.266 | 45% | 0.454 | S | S | . | . | trans | -108.1 | 149.2 | 176.2 | -162.9 | 0 | 0 | 0 | 0 | 111.7 | Y274 D275 M276 | S272-Y274 PolarHBondContact O-N 3.27Å; S272-Y274 VanDerWaalsContact O-N 3.1Å; S272-Y274 WeakPolarHBondContact OG-CD2 3.19Å; S272-D275 WeakPolarHBondContact CB-OD2 3.5Å; S272-D275 PolarHBondContact N-OD2 3.18Å; S272-D275 VanDerWaalsContact N-OD2 3.09Å; S272-D275 PolarHBondContact O-N 2.9Å; S272-M276 PolarHBondContact O-N 3.44Å | ||
| 273 | P | 75.8 | Confident | 78.8 | Confident | 97 Ų | 97 | 88.7 Ų | 88.7 | 63% | 0.63 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -14.8 | 167.5 | -23.6 | 34.9 | 0 | 0 | 0 | 114.4 | ||
| 274 | Y | 78.5 | Confident | 78.8 | Confident | 219 Ų | 219 | 86.4 Ų | 86.4 | 86% | 0.859 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -22.3 | 173.2 | -59 | -73.3 | 0 | 0 | 0 | 113.3 | S272 | S272-Y274 PolarHBondContact O-N 3.27Å; S272-Y274 VanDerWaalsContact O-N 3.1Å; S272-Y274 WeakPolarHBondContact OG-CD2 3.19Å |
| 275 | D | 77.7 | Confident | 78.7 | Confident | 121 Ų | 121 | 89.1 Ų | 89.1 | 65% | 0.647 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -22.1 | -176.3 | -53.3 | -37.5 | 0 | 0 | 0 | 112.8 | S272 | S272-D275 WeakPolarHBondContact CB-OD2 3.5Å; S272-D275 PolarHBondContact N-OD2 3.18Å; S272-D275 VanDerWaalsContact N-OD2 3.09Å; S272-D275 PolarHBondContact O-N 2.9Å |
| 276 | M | 80.5 | Confident | 78.5 | Confident | 49 Ų | 49 | 90.4 Ų | 90.4 | 24% | 0.241 | 46% | 0.462 | C | S | . | . | S | Bend | trans | -135.4 | 144.5 | -175.2 | -82.5 | -164.1 | -78.8 | 0 | 0 | 113.5 | Y271 S272 L280 V281 L284 | Y271-M276 HydrophobicContact CD2-CE 4.24Å; Y271-M276 HydrophobicContact CG-CE 3.89Å; S272-M276 PolarHBondContact O-N 3.44Å; M276-L280 HydrophobicContact SD-CB 4.34Å; M276-L280 HydrophobicContact SD-CD1 4.47Å; M276-V281 HydrophobicContact CB-CG2 4.04Å; M276-L284 HydrophobicContact CE-CD1 3.48Å; M276-L284 VanDerWaalsContact CE-CD1 3.48Å; M276-L284 HydrophobicContact SD-CD1 4.21Å |
| 277 | P | 85.7 | Confident | 78.1 | Confident | 76 Ų | 76 | 88 Ų | 88 | 49% | 0.494 | 45% | 0.446 | S | S | . | . | trans | -47.8 | 138.7 | 167.7 | -30.7 | 36.2 | 0 | 0 | 0 | 113.7 | N279 L280 V281 | P277-N279 WeakPolarHBondContact CB-OD1 3.46Å; P277-N279 PolarHBondContact O-N 2.94Å; P277-N279 VanDerWaalsContact O-N 3.09Å; P277-L280 HydrophobicContact CG-CD1 4.41Å; P277-L280 WeakPolarHBondContact O-CB 3.25Å; P277-L280 PolarHBondContact O-N 3.08Å; P277-V281 PolarHBondContact O-N 2.94Å; P277-V281 VanDerWaalsContact O-N 3.15Å | ||
| 278 | S | 80.6 | Confident | 77.3 | Confident | 102 Ų | 102 | 81.4 Ų | 81.4 | 71% | 0.713 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.3 | -27.3 | -174.6 | 56.8 | 0 | 0 | 0 | 0 | 114.5 | R282 | S278-R282 WeakPolarHBondContact O-CB 3.34Å; S278-R282 PolarHBondContact O-N 2.88Å |
| 279 | N | 79.1 | Confident | 76.4 | Confident | 100 Ų | 100 | 81.1 Ų | 81.1 | 54% | 0.535 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -70.2 | -33.1 | 173.5 | 62.9 | -54.2 | 0 | 0 | 0 | 113.2 | P277 Y283 | P277-N279 WeakPolarHBondContact CB-OD1 3.46Å; P277-N279 PolarHBondContact O-N 2.94Å; P277-N279 VanDerWaalsContact O-N 3.09Å; N279-Y283 WeakPolarHBondContact O-CB 3.18Å; N279-Y283 PolarHBondContact O-N 3.16Å; N279-Y283 VanDerWaalsContact O-N 3.07Å |
| 280 | L | 78.7 | Confident | 75.1 | Confident | 54 Ų | 54 | 79.4 Ų | 79.4 | 28% | 0.283 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -76.3 | -40.3 | 175.1 | -72.3 | 175.1 | 0 | 0 | 0 | 111.3 | L257 M276 P277 Y283 L284 | L257-L280 HydrophobicContact CD1-CD2 3.46Å; L257-L280 VanDerWaalsContact CD1-CD2 3.46Å; M276-L280 HydrophobicContact SD-CB 4.34Å; M276-L280 HydrophobicContact SD-CD1 4.47Å; P277-L280 HydrophobicContact CG-CD1 4.41Å; P277-L280 WeakPolarHBondContact O-CB 3.25Å; P277-L280 PolarHBondContact O-N 3.08Å; L280-Y283 WeakPolarHBondContact O-CB 3.09Å; L280-Y283 PolarHBondContact O-N 3.33Å; L280-L284 WeakPolarHBondContact O-CG 3.48Å; L280-L284 PolarHBondContact O-N 3.38Å |
| 281 | V | 80.3 | Confident | 73.5 | Confident | 17 Ų | 17 | 79.4 Ų | 79.4 | 10% | 0.103 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -56.6 | -53.4 | 172.1 | 178.1 | 0 | 0 | 0 | 0 | 109.7 | Y271 M276 P277 Y283 L284 D285 | Y271-V281 HydrophobicContact CE2-CG1 4.3Å; M276-V281 HydrophobicContact CB-CG2 4.04Å; P277-V281 PolarHBondContact O-N 2.94Å; P277-V281 VanDerWaalsContact O-N 3.15Å; V281-Y283 VanDerWaalsContact C-N 3.27Å; V281-Y283 PolarHBondContact O-N 2.97Å; V281-L284 PolarHBondContact O-N 3.05Å; V281-D285 WeakPolarHBondContact CG1-OD2 3.3Å; V281-D285 PolarHBondContact O-N 3.27Å |
| 282 | R | 78.9 | Confident | 71.7 | Confident | 183 Ų | 183 | 78.6 Ų | 78.6 | 69% | 0.691 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -57.2 | -37.7 | 175.8 | -167 | 179.3 | 74.4 | 178.9 | 3.8 | 112.9 | S278 D285 L286 | S278-R282 WeakPolarHBondContact O-CB 3.34Å; S278-R282 PolarHBondContact O-N 2.88Å; R282-D285 PolarHBondContact O-N 2.75Å; R282-L286 WeakPolarHBondContact O-CG 3.43Å; R282-L286 PolarHBondContact O-N 2.72Å |
| 283 | Y | 74.8 | Confident | 70.3 | Confident | 55 Ų | 55 | 83.1 Ų | 83.1 | 22% | 0.216 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 176.5 | 178.4 | -104.3 | 0 | 0 | 0 | 112.8 | L257 E258 N279 L280 V281 F300 | L257-Y283 HydrophobicContact CD1-CD1 3.9Å; L257-Y283 HydrophobicContact CD1-CE1 3.89Å; L257-Y283 HydrophobicContact CD2-CD1 4.43Å; L257-Y283 HydrophobicContact CD2-CE1 4.25Å; L257-Y283 HydrophobicContact CG-CD1 4.04Å; L257-Y283 HydrophobicContact CG-CE1 3.63Å; E258-Y283 VanDerWaalsContact CA-OH 3.24Å; E258-Y283 WeakPolarHBondContact CA-OH 3.2Å; E258-Y283 WeakPolarHBondContact CB-OH 3.27Å; E258-Y283 WeakPolarHBondContact CG-OH 3.47Å; N279-Y283 WeakPolarHBondContact O-CB 3.18Å; N279-Y283 PolarHBondContact O-N 3.16Å; N279-Y283 VanDerWaalsContact O-N 3.07Å; L280-Y283 WeakPolarHBondContact O-CB 3.09Å; L280-Y283 PolarHBondContact O-N 3.33Å; V281-Y283 VanDerWaalsContact C-N 3.27Å; V281-Y283 PolarHBondContact O-N 2.97Å; Y283-F300 HydrophobicContact CD1-CD1 4.27Å; Y283-F300 AromaticContact CD1-CE1 3.71Å; Y283-F300 HydrophobicContact CD1-CE1 3.71Å; Y283-F300 HydrophobicContact CD1-CZ 4.47Å; Y283-F300 HydrophobicContact CD2-CD1 4.28Å; Y283-F300 AromaticContact CE1-CD1 3.78Å; Y283-F300 HydrophobicContact CE1-CD1 3.78Å; Y283-F300 AromaticContact CE1-CE1 3.2Å; Y283-F300 HydrophobicContact CE1-CE1 3.2Å; Y283-F300 HydrophobicContact CE1-CE2 4.48Å; Y283-F300 AromaticContact CE1-CZ 3.63Å; Y283-F300 HydrophobicContact CE1-CZ 3.63Å; Y283-F300 AromaticContact CE2-CD1 3.79Å; Y283-F300 HydrophobicContact CE2-CD1 3.79Å; Y283-F300 HydrophobicContact CE2-CE1 4.11Å; Y283-F300 HydrophobicContact CE2-CG 4.33Å; Y283-F300 HydrophobicContact CG-CE1 4.35Å; Y283-F300 AromaticContact CZ-CD1 3.51Å; Y283-F300 AromaticContact CZ-CE1 3.43Å; Y283-F300 VanDerWaalsContact CZ-CE1 3.43Å; Y283-F300 AromaticContact CZ-CZ 3.89Å; Y283-F300 WeakPolarHBondContact O-CD1 3.41Å; Y283-F300 WeakPolarHBondContact O-CE1 3.44Å |
| 284 | L | 74.7 | Confident | 68.8 | Low | 5 Ų | 5 | 88 Ų | 88 | 3% | 0.026 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -70.5 | -33.7 | 175.4 | -67.9 | 169.8 | 0 | 0 | 0 | 111.8 | G261 I264 K265 Y271 M276 L280 V281 L286 A287 | G261-L284 VanDerWaalsContact CA-CD2 3.49Å; I264-L284 HydrophobicContact CB-CD2 4.27Å; I264-L284 HydrophobicContact CD1-CD1 4.13Å; I264-L284 HydrophobicContact CD1-CD2 4.07Å; I264-L284 HydrophobicContact CG2-CD1 4.35Å; I264-L284 HydrophobicContact CG2-CD2 4.21Å; K265-L284 WeakPolarHBondContact CE-O 3.32Å; K265-L284 PolarHBondContact NZ-O 3.17Å; Y271-L284 HydrophobicContact CD1-CD1 4.24Å; Y271-L284 HydrophobicContact CD2-CD1 4.31Å; Y271-L284 HydrophobicContact CE1-CB 4.28Å; Y271-L284 HydrophobicContact CE1-CD1 4.31Å; Y271-L284 HydrophobicContact CE2-CB 4.22Å; Y271-L284 HydrophobicContact CE2-CD1 4.37Å; Y271-L284 HydrophobicContact CG-CD1 4.25Å; M276-L284 HydrophobicContact CE-CD1 3.48Å; M276-L284 VanDerWaalsContact CE-CD1 3.48Å; M276-L284 HydrophobicContact SD-CD1 4.21Å; L280-L284 WeakPolarHBondContact O-CG 3.48Å; L280-L284 PolarHBondContact O-N 3.38Å; V281-L284 PolarHBondContact O-N 3.05Å; L284-L286 VanDerWaalsContact C-N 3.26Å; L284-L286 PolarHBondContact O-N 2.88Å; L284-A287 WeakPolarHBondContact O-CB 3.31Å; L284-A287 PolarHBondContact O-N 3.49Å |
| 285 | D | 76.8 | Confident | 67.2 | Low | 92 Ų | 92 | 79.1 Ų | 79.1 | 49% | 0.492 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -69.8 | -25.2 | 179.2 | -63.3 | -24.3 | 0 | 0 | 0 | 112.7 | Y271 V281 R282 A287 | Y271-D285 PolarHBondContact OH-OD1 2.93Å; V281-D285 WeakPolarHBondContact CG1-OD2 3.3Å; V281-D285 PolarHBondContact O-N 3.27Å; R282-D285 PolarHBondContact O-N 2.75Å; D285-A287 PolarHBondContact O-N 2.81Å |
| 286 | L | 68.8 | Low | 66.1 | Low | 74 Ų | 74 | 78 Ų | 78 | 39% | 0.387 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -1.6 | 168.3 | -63.4 | 171 | 0 | 0 | 0 | 113.7 | R282 L284 F300 D301 | R282-L286 WeakPolarHBondContact O-CG 3.43Å; R282-L286 PolarHBondContact O-N 2.72Å; L284-L286 VanDerWaalsContact C-N 3.26Å; L284-L286 PolarHBondContact O-N 2.88Å; L286-F300 CarbonylContact O-C 3.43Å; L286-F300 WeakPolarHBondContact O-CA 3.44Å; L286-D301 HydrophobicContact CB-CB 3.91Å; L286-D301 HydrophobicContact CD2-CB 3.98Å; L286-D301 HydrophobicContact CG-CB 4.44Å; L286-D301 WeakPolarHBondContact O-CB 3.35Å; L286-D301 PolarHBondContact O-N 3.19Å |
| 287 | A | 65.5 | Low | 65 | Low | 7 Ų | 7 | 77.1 Ų | 77.1 | 6% | 0.058 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 114.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K265 L284 D285 V298 Y299 F300 | K265-A287 WeakPolarHBondContact CE-O 3.46Å; K265-A287 HydrophobicContact CG-CB 3.87Å; L284-A287 WeakPolarHBondContact O-CB 3.31Å; L284-A287 PolarHBondContact O-N 3.49Å; D285-A287 PolarHBondContact O-N 2.81Å; A287-V298 HydrophobicContact CB-CG1 4.02Å; A287-Y299 CarbonylContact C-O 3.54Å; A287-Y299 WeakPolarHBondContact CA-O 3.36Å; A287-F300 HydrophobicContact CB-CD1 3.6Å; A287-F300 HydrophobicContact CB-CE1 3.48Å; A287-F300 VanDerWaalsContact CB-CE1 3.48Å; A287-F300 HydrophobicContact CB-CG 4.22Å; A287-F300 HydrophobicContact CB-CZ 3.99Å |
| 288 | S | 64.3 | Low | 63.6 | Low | 54 Ų | 54 | 74.2 Ų | 74.2 | 38% | 0.378 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 150.2 | -179.1 | -72.5 | 0 | 0 | 0 | 0 | 111.9 | V298 Y299 | S288-V298 WeakPolarHBondContact O-CA 3.15Å; S288-Y299 VanDerWaalsContact CB-CZ 3.48Å; S288-Y299 PolarHBondContact N-O 3.29Å; S288-Y299 WeakPolarHBondContact O-CD1 3.35Å; S288-Y299 PolarHBondContact O-N 3.08Å |
| 289 | K | 58.9 | Low | 62.5 | Low | 105 Ų | 105 | 74.9 Ų | 74.9 | 46% | 0.457 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 148.2 | 172.2 | -68 | -173.8 | 179.2 | -175.7 | 0 | 110.2 | K265 N268 Y299 | K265-K289 WeakPolarHBondContact O-CE 3.38Å; N268-K289 WeakPolarHBondContact OD1-CE 3.47Å; N268-K289 PolarHBondContact OD1-NZ 3.44Å; K289-Y299 WeakPolarHBondContact O-CE1 2.76Å |
| 290 | C | 55.6 | Low | 61.5 | Low | 42 Ų | 42 | 70.6 Ų | 70.6 | 28% | 0.284 | 38% | 0.383 | S | S | . | . | trans | -61.2 | 131.4 | 172.7 | -166.5 | 0 | 0 | 0 | 0 | 110.1 | N292 C295 G297 | C290-N292 PolarHBondContact O-N 2.79Å; C290-C295 HydrophobicContact CB-CB 4.07Å; C290-C295 VanDerWaalsContact SG-SG 3.65Å; C290-G297 WeakPolarHBondContact CB-O 3.43Å; C290-G297 PolarHBondContact N-O 2.68Å | ||
| 291 | P | 47.3 | Very low | 59.8 | Low | 118 Ų | 118 | 73.4 Ų | 73.4 | 77% | 0.766 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -72 | -11.6 | 178.5 | 27.7 | -35 | 0 | 0 | 0 | 113.8 | P293 | P291-P293 WeakPolarHBondContact O-CD 3.35Š|
| 292 | N | 44.7 | Very low | 57.9 | Low | 42 Ų | 42 | 75.1 Ų | 75.1 | 23% | 0.225 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -77.4 | 118.2 | 175.5 | 174.5 | -5.1 | 0 | 0 | 0 | 110.2 | C290 K294 C295 F312 | C290-N292 PolarHBondContact O-N 2.79Å; N292-K294 PolarHBondContact O-N 2.98Å; N292-K294 VanDerWaalsContact O-N 3.12Å; N292-K294 WeakPolarHBondContact OD1-CB 3.2Å; N292-K294 PolarHBondContact OD1-N 3.43Å; N292-C295 HydrophobicContact CB-CB 3.96Å; N292-C295 WeakPolarHBondContact O-CB 3.36Å; N292-C295 PolarHBondContact O-N 3.14Å; N292-F312 PolarHBondContact ND2-O 3.01Å |
| 293 | P | 49.1 | Very low | 55.7 | Low | 133 Ų | 133 | 71.9 Ų | 71.9 | 86% | 0.864 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -16.7 | -177.1 | 27 | -35.5 | 0 | 0 | 0 | 114.2 | P291 C295 | P291-P293 WeakPolarHBondContact O-CD 3.35Å; P293-C295 VanDerWaalsContact C-N 3.32Å |
| 294 | K | 43.6 | Very low | 53.5 | Low | 199 Ų | 199 | 73.2 Ų | 73.2 | 87% | 0.865 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -1.6 | 172.3 | -62.5 | -179.3 | 179.3 | 175.1 | 0 | 113.1 | N292 | N292-K294 PolarHBondContact O-N 2.98Å; N292-K294 VanDerWaalsContact O-N 3.12Å; N292-K294 WeakPolarHBondContact OD1-CB 3.2Å; N292-K294 PolarHBondContact OD1-N 3.43Å |
| 295 | C | 46.7 | Very low | 51.4 | Low | 33 Ų | 33 | 82.5 Ų | 82.5 | 22% | 0.223 | 46% | 0.463 | C | S | . | . | trans | -119.9 | 105.9 | -175.6 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | C290 N292 P293 G297 | C290-C295 HydrophobicContact CB-CB 4.07Å; C290-C295 VanDerWaalsContact SG-SG 3.65Å; N292-C295 HydrophobicContact CB-CB 3.96Å; N292-C295 WeakPolarHBondContact O-CB 3.36Å; N292-C295 PolarHBondContact O-N 3.14Å; P293-C295 VanDerWaalsContact C-N 3.32Å; C295-G297 PolarHBondContact O-N 2.84Å | ||
| 296 | A | 52.8 | Low | 49.2 | Very low | 99 Ų | 99 | 84.5 Ų | 84.5 | 82% | 0.818 | 47% | 0.469 | S | S | * | . | trans | -76 | 19.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 297 | G | 58.4 | Low | 47.4 | Very low | 30 Ų | 30 | 82.8 Ų | 82.8 | 31% | 0.309 | 46% | 0.46 | S | S | . | . | trans | -74.1 | 144.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C290 C295 | C290-G297 WeakPolarHBondContact CB-O 3.43Å; C290-G297 PolarHBondContact N-O 2.68Å; C295-G297 PolarHBondContact O-N 2.84Å | ||
| 298 | V | 56.1 | Low | 45.9 | Very low | 15 Ų | 15 | 87.1 Ų | 87.1 | 9% | 0.091 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.3 | 167.5 | 177.3 | 0 | 0 | 0 | 0 | 108.2 | R262 K265 A287 S288 | R262-V298 HydrophobicContact CB-CB 4.35Å; R262-V298 HydrophobicContact CG-CB 4.25Å; K265-V298 HydrophobicContact CB-CG1 3.87Å; K265-V298 HydrophobicContact CB-CG2 3.97Å; K265-V298 HydrophobicContact CG-CG1 4.44Å; A287-V298 HydrophobicContact CB-CG1 4.02Å; S288-V298 WeakPolarHBondContact O-CA 3.15Å |
| 299 | Y | 57.6 | Low | 44.4 | Very low | 116 Ų | 116 | 85.9 Ų | 85.9 | 46% | 0.455 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 141.9 | 173.7 | 64.6 | -87.1 | 0 | 0 | 0 | 110.3 | A287 S288 K289 | A287-Y299 CarbonylContact C-O 3.54Å; A287-Y299 WeakPolarHBondContact CA-O 3.36Å; S288-Y299 VanDerWaalsContact CB-CZ 3.48Å; S288-Y299 PolarHBondContact N-O 3.29Å; S288-Y299 WeakPolarHBondContact O-CD1 3.35Å; S288-Y299 PolarHBondContact O-N 3.08Å; K289-Y299 WeakPolarHBondContact O-CE1 2.76Å |
| 300 | F | 57 | Low | 43 | Very low | 10 Ų | 10 | 85.7 Ų | 85.7 | 4% | 0.044 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 149.9 | 169.9 | -67 | -94.6 | 0 | 0 | 0 | 109.7 | E258 R262 Y283 L286 A287 S302 | E258-F300 HydrophobicContact CB-CE2 4.47Å; E258-F300 HydrophobicContact CG-CD2 3.57Å; E258-F300 HydrophobicContact CG-CE2 3.49Å; E258-F300 VanDerWaalsContact CG-CE2 3.49Å; E258-F300 HydrophobicContact CG-CZ 4.46Å; R262-F300 HydrophobicContact CG-CE2 3.74Å; Y283-F300 HydrophobicContact CD1-CD1 4.27Å; Y283-F300 AromaticContact CD1-CE1 3.71Å; Y283-F300 HydrophobicContact CD1-CE1 3.71Å; Y283-F300 HydrophobicContact CD1-CZ 4.47Å; Y283-F300 HydrophobicContact CD2-CD1 4.28Å; Y283-F300 AromaticContact CE1-CD1 3.78Å; Y283-F300 HydrophobicContact CE1-CD1 3.78Å; Y283-F300 AromaticContact CE1-CE1 3.2Å; Y283-F300 HydrophobicContact CE1-CE1 3.2Å; Y283-F300 HydrophobicContact CE1-CE2 4.48Å; Y283-F300 AromaticContact CE1-CZ 3.63Å; Y283-F300 HydrophobicContact CE1-CZ 3.63Å; Y283-F300 AromaticContact CE2-CD1 3.79Å; Y283-F300 HydrophobicContact CE2-CD1 3.79Å; Y283-F300 HydrophobicContact CE2-CE1 4.11Å; Y283-F300 HydrophobicContact CE2-CG 4.33Å; Y283-F300 HydrophobicContact CG-CE1 4.35Å; Y283-F300 AromaticContact CZ-CD1 3.51Å; Y283-F300 AromaticContact CZ-CE1 3.43Å; Y283-F300 VanDerWaalsContact CZ-CE1 3.43Å; Y283-F300 AromaticContact CZ-CZ 3.89Å; Y283-F300 WeakPolarHBondContact O-CD1 3.41Å; Y283-F300 WeakPolarHBondContact O-CE1 3.44Å; L286-F300 CarbonylContact O-C 3.43Å; L286-F300 WeakPolarHBondContact O-CA 3.44Å; A287-F300 HydrophobicContact CB-CD1 3.6Å; A287-F300 HydrophobicContact CB-CE1 3.48Å; A287-F300 VanDerWaalsContact CB-CE1 3.48Å; A287-F300 HydrophobicContact CB-CG 4.22Å; A287-F300 HydrophobicContact CB-CZ 3.99Å; F300-S302 PolarHBondContact O-N 3.31Å; F300-S302 PolarHBondContact O-OG 2.82Å |
| 301 | D | 44.8 | Very low | 41.8 | Very low | 113 Ų | 113 | 89.2 Ų | 89.2 | 60% | 0.604 | 49% | 0.489 | S | S | * | . | trans | -70 | 74.6 | 173.1 | -151.7 | 14.3 | 0 | 0 | 0 | 110.9 | L286 C303 | L286-D301 HydrophobicContact CB-CB 3.91Å; L286-D301 HydrophobicContact CD2-CB 3.98Å; L286-D301 HydrophobicContact CG-CB 4.44Å; L286-D301 WeakPolarHBondContact O-CB 3.35Å; L286-D301 PolarHBondContact O-N 3.19Å; D301-C303 PolarHBondContact O-N 2.88Å | ||
| 302 | S | 40.2 | Very low | 41.1 | Very low | 53 Ų | 53 | 91.2 Ų | 91.2 | 37% | 0.371 | 49% | 0.486 | S | S | . | . | trans | -91 | 99.2 | 177.6 | 38.5 | 0 | 0 | 0 | 0 | 106.1 | F300 V304 K308 | F300-S302 PolarHBondContact O-N 3.31Å; F300-S302 PolarHBondContact O-OG 2.82Å; S302-V304 PolarHBondContact O-N 2.6Å; S302-K308 PolarHBondContact O-NZ 2.82Å; S302-K308 PolarHBondContact OG-NZ 3.35Å | ||
| 303 | C | 32.1 | Very low | 40.8 | Very low | 115 Ų | 115 | 94.5 Ų | 94.5 | 78% | 0.777 | 51% | 0.511 | S | S | * | . | trans | -66.9 | 65.2 | 168.3 | -172.3 | 0 | 0 | 0 | 0 | 110 | D301 R305 | D301-C303 PolarHBondContact O-N 2.88Å; C303-R305 PolarHBondContact O-N 3.48Å | ||
| 304 | V | 28.4 | Very low | 40.3 | Very low | 83 Ų | 83 | 90.6 Ų | 90.6 | 50% | 0.503 | 50% | 0.495 | S | S | . | . | trans | -86.5 | 102.9 | 171.3 | 172 | 0 | 0 | 0 | 0 | 104.9 | S302 Q306 | S302-V304 PolarHBondContact O-N 2.6Å; V304-Q306 HydrophobicContact CG1-CB 4.07Å; V304-Q306 PolarHBondContact O-N 3.39Å | ||
| 305 | R | 30.4 | Very low | 39.8 | Very low | 200 Ų | 200 | 89.2 Ų | 89.2 | 76% | 0.755 | 49% | 0.489 | S | S | * | . | trans | -71 | 52.6 | 173 | -64.3 | -178.4 | 173.5 | -165.5 | -2 | 110.6 | R223 C303 | R223-R305 PolarHBondContact NH1-O 3.18Å; R223-R305 PolarHBondContact NH2-O 3Å; C303-R305 PolarHBondContact O-N 3.48Å | ||
| 306 | Q | 30.1 | Very low | 39.2 | Very low | 133 Ų | 133 | 94.3 Ų | 94.3 | 62% | 0.621 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -152.7 | 145.5 | 170.8 | -79.7 | -169 | -12.5 | 0 | 0 | 107.9 | V304 K308 | V304-Q306 HydrophobicContact CG1-CB 4.07Å; V304-Q306 PolarHBondContact O-N 3.39Å; Q306-K308 PolarHBondContact O-N 3.22Å |
| 307 | I | 32.2 | Very low | 38.4 | Very low | 39 Ų | 39 | 95.6 Ų | 95.6 | 20% | 0.2 | 49% | 0.488 | C | S | . | . | -82 | -30.2 | -104.4 | -62.4 | 175.7 | 0 | 0 | 0 | 113.2 | R223 P319 L320 M321 | R223-I307 HydrophobicContact CG-CD1 3.72Å; R223-I307 HydrophobicContact CG-CG1 4.33Å; I307-P319 HydrophobicContact CB-CB 3.81Å; I307-P319 WeakPolarHBondContact CB-O 3.48Å; I307-P319 WeakPolarHBondContact CG2-O 3.41Å; I307-L320 CarbonylContact C-O 3.5Å; I307-L320 VanDerWaalsContact C-O 3.29Å; I307-L320 CarbonylContact O-C 3.58Å; I307-M321 HydrophobicContact CB-CG 4.18Å; I307-M321 HydrophobicContact CG1-CG 4.44Å; I307-M321 HydrophobicContact CG2-CB 4.04Å; I307-M321 HydrophobicContact CG2-CG 3.53Å; I307-M321 VanDerWaalsContact O-CA 3.27Å; I307-M321 WeakPolarHBondContact O-CA 2.98Å; I307-M321 PolarHBondContact O-N 2.88Å; I307-M321 VanDerWaalsContact O-N 3.12Å | |||
| 308 | K | 32.7 | Very low | 37.2 | Very low | 98 Ų | 98 | 95.5 Ų | 95.5 | 43% | 0.426 | 48% | 0.48 | S | S | . | . | trans | 79 | 61.2 | -177.2 | -63.6 | 179.3 | 173.8 | -179 | 0 | 127.4 | S302 Q306 L318 P319 L320 | S302-K308 PolarHBondContact O-NZ 2.82Å; S302-K308 PolarHBondContact OG-NZ 3.35Å; Q306-K308 PolarHBondContact O-N 3.22Å; K308-L318 CarbonylContact C-O 3.6Å; K308-L318 VanDerWaalsContact C-O 3.29Å; K308-L318 WeakPolarHBondContact CA-O 3.19Å; K308-P319 VanDerWaalsContact N-C 3.29Å; K308-L320 CarbonylContact C-O 3.56Å; K308-L320 VanDerWaalsContact C-O 3.23Å; K308-L320 WeakPolarHBondContact CA-O 3.24Å; K308-L320 VanDerWaalsContact O-O 3.04Å | ||
| 309 | F | 33.3 | Very low | 36.2 | Very low | 27 Ų | 27 | 96.5 Ų | 96.5 | 12% | 0.118 | 49% | 0.487 | C | S | . | . | trans | -80.2 | 157.1 | 172.5 | -42.9 | -110.8 | 0 | 0 | 0 | 109.8 | L241 L318 P319 L320 L359 | L241-F309 HydrophobicContact CD1-CZ 4.27Å; F309-L318 HydrophobicContact CB-CB 3.49Å; F309-L318 VanDerWaalsContact CB-CB 3.49Å; F309-L318 HydrophobicContact CB-CD1 4.13Å; F309-L318 HydrophobicContact CB-CG 4.31Å; F309-L318 HydrophobicContact CD2-CB 4.04Å; F309-L318 HydrophobicContact CD2-CD2 3.89Å; F309-L318 HydrophobicContact CD2-CG 4.46Å; F309-L318 HydrophobicContact CG-CB 4.19Å; F309-L318 PolarHBondContact N-O 3.43Å; F309-L318 VanDerWaalsContact O-CB 3.23Å; F309-L318 WeakPolarHBondContact O-CB 3.47Å; F309-L318 PolarHBondContact O-N 3.3Å; F309-L318 VanDerWaalsContact O-N 3.1Å; F309-P319 WeakPolarHBondContact CD2-O 3.47Å; F309-P319 VanDerWaalsContact CE2-C 3.45Å; F309-P319 WeakPolarHBondContact CE2-O 3.39Å; F309-P319 VanDerWaalsContact N-C 3.26Å; F309-P319 VanDerWaalsContact N-CA 3.26Å; F309-L320 HydrophobicContact CB-CB 3.59Å; F309-L320 HydrophobicContact CB-CD1 4.02Å; F309-L320 HydrophobicContact CB-CG 4.21Å; F309-L320 HydrophobicContact CD1-CB 3.54Å; F309-L320 HydrophobicContact CD1-CD1 3.35Å; F309-L320 HydrophobicContact CD1-CG 3.29Å; F309-L320 HydrophobicContact CD2-CB 3.9Å; F309-L320 HydrophobicContact CD2-CG 4.47Å; F309-L320 HydrophobicContact CE1-CB 4.09Å; F309-L320 HydrophobicContact CE1-CD1 4.03Å; F309-L320 HydrophobicContact CE1-CG 3.6Å; F309-L320 HydrophobicContact CE2-CB 4.43Å; F309-L320 HydrophobicContact CG-CB 3.35Å; F309-L320 HydrophobicContact CG-CD1 3.92Å; F309-L320 HydrophobicContact CG-CG 3.73Å; F309-L320 HydrophobicContact CZ-CB 4.48Å; F309-L320 HydrophobicContact CZ-CG 4.31Å; F309-L320 VanDerWaalsContact N-CB 3.31Å; F309-L359 HydrophobicContact CD1-CD1 3.82Å; F309-L359 HydrophobicContact CD1-CD2 4.36Å; F309-L359 HydrophobicContact CE1-CD1 3.76Å; F309-L359 HydrophobicContact CE1-CD2 3.8Å; F309-L359 HydrophobicContact CE1-CG 4.46Å | ||
| 310 | V | 30.3 | Very low | 35 | Very low | 102 Ų | 102 | 94.1 Ų | 94.1 | 62% | 0.618 | 48% | 0.482 | S | S | * | . | trans | -144.3 | 147.4 | 176 | -176.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 311 | D | 30 | Very low | 33.7 | Very low | 116 Ų | 116 | 96.1 Ų | 96.1 | 62% | 0.62 | 49% | 0.492 | S | S | * | . | trans | -142.3 | 145.9 | 143.8 | -134.7 | -11.8 | 0 | 0 | 0 | 114.9 | C313 | D311-C313 VanDerWaalsContact C-N 3.33Å; D311-C313 PolarHBondContact O-N 3.47Å | ||
| 312 | F | 33 | Very low | 32.9 | Very low | 159 Ų | 159 | 98.2 Ų | 98.2 | 70% | 0.697 | 50% | 0.498 | S | S | * | . | S | Bend | trans | 23.1 | -23.6 | -178.1 | -84.7 | -76.4 | 0 | 0 | 0 | 125.7 | N292 | N292-F312 PolarHBondContact ND2-O 3.01Š|
| 313 | C | 37.1 | Very low | 32.5 | Very low | 112 Ų | 112 | 103.6 Ų | 103.6 | 76% | 0.757 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -131.8 | 9.2 | -171.1 | -84.5 | 0 | 0 | 0 | 0 | 116.5 | D311 K315 | D311-C313 VanDerWaalsContact C-N 3.33Å; D311-C313 PolarHBondContact O-N 3.47Å; C313-K315 PolarHBondContact O-N 2.71Å |
| 314 | G | 39 | Very low | 32.3 | Very low | 51 Ų | 51 | 102.5 Ų | 102.5 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | S | Bend | trans | 63 | 1.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 315 | K | 34.5 | Very low | 32.2 | Very low | 169 Ų | 169 | 103.2 Ų | 103.2 | 74% | 0.735 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -82.6 | -16.7 | -177.6 | -159.3 | 171.5 | -175.6 | 179.1 | 0 | 113.3 | C313 | C313-K315 PolarHBondContact O-N 2.71Š|
| 316 | Y | 33.9 | Very low | 31.9 | Very low | 141 Ų | 141 | 97.7 Ų | 97.7 | 55% | 0.553 | 50% | 0.497 | S | S | * | . | trans | -126.5 | 117.4 | 171.9 | -57 | -77.7 | 0 | 0 | 0 | 108.4 | V246 | V246-Y316 HydrophobicContact CG2-CD1 4.05Š| ||
| 317 | R | 35.8 | Very low | 31.8 | Very low | 125 Ų | 125 | 97.8 Ų | 97.8 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | trans | -73 | 155.5 | 153 | -64.9 | 166.2 | 175.6 | 173.8 | -6.9 | 106.8 | F245 M249 E258 R262 | F245-R317 WeakPolarHBondContact CD1-O 3.45Å; F245-R317 HydrophobicContact CE1-CB 3.51Å; F245-R317 WeakPolarHBondContact CE1-O 3.5Å; F245-R317 HydrophobicContact CZ-CB 3.57Å; M249-R317 HydrophobicContact SD-CB 3.86Å; M249-R317 HydrophobicContact SD-CG 4.2Å; E258-R317 IonicContact OE1-NH2 3.7Å; R262-R317 VanDerWaalsContact NH2-NH2 3.11Å | ||
| 318 | L | 32.7 | Very low | 31.8 | Very low | 28 Ų | 28 | 104 Ų | 104 | 15% | 0.147 | 54% | 0.537 | C | S | . | . | trans | -150.5 | -178.4 | 178.7 | -111.7 | 164.8 | 0 | 0 | 0 | 107.8 | V242 K308 F309 | V242-L318 HydrophobicContact CB-CD1 4.38Å; V242-L318 HydrophobicContact CB-CD2 3.87Å; V242-L318 HydrophobicContact CB-CG 4.33Å; V242-L318 HydrophobicContact CG1-CD1 3.88Å; V242-L318 HydrophobicContact CG1-CD2 3.76Å; V242-L318 HydrophobicContact CG1-CG 3.72Å; V242-L318 HydrophobicContact CG2-CD1 3.92Å; V242-L318 HydrophobicContact CG2-CD2 3.93Å; V242-L318 HydrophobicContact CG2-CG 4.35Å; K308-L318 CarbonylContact C-O 3.6Å; K308-L318 VanDerWaalsContact C-O 3.29Å; K308-L318 WeakPolarHBondContact CA-O 3.19Å; F309-L318 HydrophobicContact CB-CB 3.49Å; F309-L318 VanDerWaalsContact CB-CB 3.49Å; F309-L318 HydrophobicContact CB-CD1 4.13Å; F309-L318 HydrophobicContact CB-CG 4.31Å; F309-L318 HydrophobicContact CD2-CB 4.04Å; F309-L318 HydrophobicContact CD2-CD2 3.89Å; F309-L318 HydrophobicContact CD2-CG 4.46Å; F309-L318 HydrophobicContact CG-CB 4.19Å; F309-L318 PolarHBondContact N-O 3.43Å; F309-L318 VanDerWaalsContact O-CB 3.23Å; F309-L318 WeakPolarHBondContact O-CB 3.47Å; F309-L318 PolarHBondContact O-N 3.3Å; F309-L318 VanDerWaalsContact O-N 3.1Å | ||
| 319 | P | 36.2 | Very low | 31.6 | Very low | 36 Ų | 36 | 105 Ų | 105 | 23% | 0.234 | 56% | 0.556 | C | S | . | * | trans | -120.3 | 102.6 | 176.1 | 35.6 | -21.1 | 0 | 0 | 0 | 123.3 | F245 I307 K308 F309 | F245-P319 HydrophobicContact CB-CG 4.48Å; F245-P319 HydrophobicContact CD2-CB 4.39Å; F245-P319 HydrophobicContact CD2-CG 3.86Å; F245-P319 HydrophobicContact CG-CG 4.42Å; I307-P319 HydrophobicContact CB-CB 3.81Å; I307-P319 WeakPolarHBondContact CB-O 3.48Å; I307-P319 WeakPolarHBondContact CG2-O 3.41Å; K308-P319 VanDerWaalsContact N-C 3.29Å; F309-P319 WeakPolarHBondContact CD2-O 3.47Å; F309-P319 VanDerWaalsContact CE2-C 3.45Å; F309-P319 WeakPolarHBondContact CE2-O 3.39Å; F309-P319 VanDerWaalsContact N-C 3.26Å; F309-P319 VanDerWaalsContact N-CA 3.26Å | ||
| 320 | L | 31.2 | Very low | 31.6 | Very low | 66 Ų | 66 | 110 Ų | 110 | 35% | 0.346 | 59% | 0.588 | S | S | . | * | trans | -137.9 | 116 | -175 | -147.7 | -174.1 | 0 | 0 | 0 | 112.5 | I307 K308 F309 H322 | I307-L320 CarbonylContact C-O 3.5Å; I307-L320 VanDerWaalsContact C-O 3.29Å; I307-L320 CarbonylContact O-C 3.58Å; K308-L320 CarbonylContact C-O 3.56Å; K308-L320 VanDerWaalsContact C-O 3.23Å; K308-L320 WeakPolarHBondContact CA-O 3.24Å; K308-L320 VanDerWaalsContact O-O 3.04Å; F309-L320 HydrophobicContact CB-CB 3.59Å; F309-L320 HydrophobicContact CB-CD1 4.02Å; F309-L320 HydrophobicContact CB-CG 4.21Å; F309-L320 HydrophobicContact CD1-CB 3.54Å; F309-L320 HydrophobicContact CD1-CD1 3.35Å; F309-L320 HydrophobicContact CD1-CG 3.29Å; F309-L320 HydrophobicContact CD2-CB 3.9Å; F309-L320 HydrophobicContact CD2-CG 4.47Å; F309-L320 HydrophobicContact CE1-CB 4.09Å; F309-L320 HydrophobicContact CE1-CD1 4.03Å; F309-L320 HydrophobicContact CE1-CG 3.6Å; F309-L320 HydrophobicContact CE2-CB 4.43Å; F309-L320 HydrophobicContact CG-CB 3.35Å; F309-L320 HydrophobicContact CG-CD1 3.92Å; F309-L320 HydrophobicContact CG-CG 3.73Å; F309-L320 HydrophobicContact CZ-CB 4.48Å; F309-L320 HydrophobicContact CZ-CG 4.31Å; F309-L320 VanDerWaalsContact N-CB 3.31Å; L320-H322 PolarHBondContact O-N 3.5Å | ||
| 321 | M | 29.8 | Very low | 31.5 | Very low | 53 Ų | 53 | 110.3 Ų | 110.3 | 26% | 0.261 | 60% | 0.595 | S | S | . | * | trans | -75 | 124.8 | 179 | -81 | -96 | -60.1 | 0 | 0 | 108.7 | L226 I307 Y323 | L226-M321 HydrophobicContact CD1-CB 3.5Å; L226-M321 VanDerWaalsContact CD1-CB 3.5Å; L226-M321 HydrophobicContact CD1-CE 4.05Å; L226-M321 HydrophobicContact CD1-CG 3.89Å; L226-M321 HydrophobicContact CD2-CB 4.46Å; I307-M321 HydrophobicContact CB-CG 4.18Å; I307-M321 HydrophobicContact CG1-CG 4.44Å; I307-M321 HydrophobicContact CG2-CB 4.04Å; I307-M321 HydrophobicContact CG2-CG 3.53Å; I307-M321 VanDerWaalsContact O-CA 3.27Å; I307-M321 WeakPolarHBondContact O-CA 2.98Å; I307-M321 PolarHBondContact O-N 2.88Å; I307-M321 VanDerWaalsContact O-N 3.12Å; M321-Y323 HydrophobicContact CE-CD2 4.1Å; M321-Y323 HydrophobicContact CE-CE2 3.55Å; M321-Y323 PolarHBondContact O-N 2.95Å | ||
| 322 | H | 29 | Very low | 31.8 | Very low | 156 Ų | 156 | 110 Ų | 110 | 72% | 0.722 | 60% | 0.599 | S | S | * | * | trans | -70 | 99.1 | 171.4 | -122.7 | 98.8 | 0 | 0 | 0 | 109.5 | L320 L324 | L320-H322 PolarHBondContact O-N 3.5Å; H322-L324 PolarHBondContact CD2-O 3.27Å | ||
| 323 | Y | 29.8 | Very low | 31.3 | Very low | 166 Ų | 166 | 108.1 Ų | 108.1 | 65% | 0.651 | 61% | 0.605 | S | S | * | * | trans | -126.5 | 32.8 | 156.6 | -80.8 | -57.9 | 0 | 0 | 0 | 111.3 | L226 M321 | L226-Y323 HydrophobicContact CB-CD2 4.48Å; L226-Y323 HydrophobicContact CD1-CD2 4.1Å; M321-Y323 HydrophobicContact CE-CD2 4.1Å; M321-Y323 HydrophobicContact CE-CE2 3.55Å; M321-Y323 PolarHBondContact O-N 2.95Å | ||
| 324 | L | 28.8 | Very low | 30.7 | Very low | 93 Ų | 93 | 107.9 Ų | 107.9 | 49% | 0.487 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -108.4 | 94.2 | 163.3 | -72.7 | 166.9 | 0 | 0 | 0 | 107.2 | H322 V357 | H322-L324 PolarHBondContact CD2-O 3.27Å; L324-V357 HydrophobicContact CD1-CG2 4.47Å |
| 325 | C | 25.4 | Very low | 30.2 | Very low | 98 Ų | 98 | 110.3 Ų | 110.3 | 66% | 0.662 | 61% | 0.613 | S | S | * | * | trans | 64.3 | 96.2 | 180 | -60.5 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 326 | S | 24.6 | Very low | 29.8 | Very low | 84 Ų | 84 | 109.8 Ų | 109.8 | 59% | 0.587 | 62% | 0.618 | S | S | * | * | trans | -84.5 | 136.5 | 155.4 | 52 | 0 | 0 | 0 | 0 | 110.4 | E328 | S326-E328 PolarHBondContact O-N 2.99Š| ||
| 327 | P | 29 | Very low | 30 | Very low | 135 Ų | 135 | 108.2 Ų | 108.2 | 88% | 0.877 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -85.2 | 32.1 | 174.5 | 36.3 | -36.1 | 0 | 0 | 0 | 112.7 | ||
| 328 | E | 32.4 | Very low | 29.5 | Very low | 169 Ų | 169 | 111.3 Ų | 111.3 | 79% | 0.79 | 65% | 0.645 | S | S | * | * | trans | -115.7 | 58.9 | 175.7 | -69 | -167.9 | 169.7 | 0 | 0 | 111 | S326 | S326-E328 PolarHBondContact O-N 2.99Š| ||
| 329 | C | 27.8 | Very low | 29.1 | Very low | 120 Ų | 120 | 114.9 Ų | 114.9 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | trans | -85.4 | 126.9 | 150.5 | -74 | 0 | 0 | 0 | 0 | 108.3 | S331 | C329-S331 PolarHBondContact O-N 3.13Š| ||
| 330 | T | 32.7 | Very low | 28.7 | Very low | 130 Ų | 130 | 121 Ų | 121 | 80% | 0.798 | 70% | 0.704 | S | S | * | * | trans | -82.5 | 101.4 | -164.6 | 45.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 331 | S | 28.9 | Very low | 28.4 | Very low | 110 Ų | 110 | 122.5 Ų | 122.5 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | 68.2 | 167.4 | 152.2 | 83.6 | 0 | 0 | 0 | 0 | 118 | C329 | C329-S331 PolarHBondContact O-N 3.13Š| ||
| 332 | P | 35.7 | Very low | 28.6 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 70% | 0.701 | 76% | 0.758 | S | S | * | * | cis | -132.4 | 163.5 | 0.3 | 40.6 | -24.5 | 0 | 0 | 0 | 117 | ||||
| 333 | C | 24.2 | Very low | 28.4 | Very low | 120 Ų | 120 | 126.8 Ų | 126.8 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | 62.1 | 129.9 | 149.7 | -69.6 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 334 | S | 24.2 | Very low | 28.6 | Very low | 108 Ų | 108 | 128.4 Ų | 128.4 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | 96.4 | 115.4 | 138.8 | 73.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 335 | S | 27.5 | Very low | 28.6 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | 31.8 | 123.8 | 141.3 | 54.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 336 | N | 25.4 | Very low | 29.1 | Very low | 158 Ų | 158 | 136 Ų | 136 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | cis | -175.2 | 173 | 43.7 | -114.1 | -3 | 0 | 0 | 0 | 109.7 | ||||
| 337 | P | 38.9 | Very low | 29.4 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | trans | -102.8 | 131.6 | -172.4 | 36.7 | -30.2 | 0 | 0 | 0 | 115.3 | ||||
| 338 | Q | 24.7 | Very low | 29.8 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 89% | 0.888 | 79% | 0.794 | S | S | * | * | trans | 178.1 | 146.9 | 162.4 | -103.2 | 157.1 | -11.7 | 0 | 0 | 105.7 | ||||
| 339 | S | 25.4 | Very low | 30 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 72% | 0.72 | 78% | 0.781 | S | S | * | * | cis | 179.9 | 160 | -5.5 | 40.8 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 340 | D | 27.7 | Very low | 30.6 | Very low | 165 Ų | 165 | 131 Ų | 131 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | trans | -46.2 | 138.4 | -174.2 | -48.2 | -69.4 | 0 | 0 | 0 | 116.6 | ||||
| 341 | A | 25.5 | Very low | 31.1 | Very low | 97 Ų | 97 | 127.6 Ų | 127.6 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | trans | -160.2 | 141.7 | 145.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 342 | E | 32.6 | Very low | 31.7 | Very low | 202 Ų | 202 | 127.2 Ų | 127.2 | 94% | 0.944 | 74% | 0.739 | S | S | * | * | trans | -77.8 | 131.1 | 170.7 | -60.2 | 169.7 | 136 | 0 | 0 | 110 | ||||
| 343 | S | 25.3 | Very low | 32 | Very low | 96 Ų | 96 | 128.6 Ų | 128.6 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | trans | -153.8 | 125.7 | 159.5 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | E345 | S343-E345 PolarHBondContact O-N 2.72Å; S343-E345 VanDerWaalsContact O-N 3.17Å | ||
| 344 | E | 34.6 | Very low | 33.1 | Very low | 200 Ų | 200 | 125 Ų | 125 | 94% | 0.935 | 70% | 0.703 | S | S | * | * | trans | -68 | 104.8 | 165.3 | -65 | -172.6 | 147.8 | 0 | 0 | 109 | ||||
| 345 | E | 27.4 | Very low | 33.8 | Very low | 146 Ų | 146 | 124.8 Ų | 124.8 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | trans | -130.4 | 123.6 | 163 | -71.2 | -164.6 | 150.5 | 0 | 0 | 109.9 | S343 N347 | S343-E345 PolarHBondContact O-N 2.72Å; S343-E345 VanDerWaalsContact O-N 3.17Å; E345-N347 PolarHBondContact O-N 2.79Å | ||
| 346 | E | 35.8 | Very low | 34.8 | Very low | 205 Ų | 205 | 127.8 Ų | 127.8 | 96% | 0.958 | 69% | 0.685 | S | S | * | * | trans | -64 | 80.2 | 167.3 | -70.2 | -174.3 | 123.8 | 0 | 0 | 109.3 | S348 | E346-S348 PolarHBondContact O-N 3.28Š| ||
| 347 | N | 31.3 | Very low | 36 | Very low | 136 Ų | 136 | 123 Ų | 123 | 73% | 0.727 | 66% | 0.662 | S | S | * | * | trans | -61.3 | 115 | 175.9 | -97.9 | -62 | 0 | 0 | 0 | 109.5 | E345 V349 | E345-N347 PolarHBondContact O-N 2.79Å; N347-V349 PolarHBondContact O-N 3.09Å | ||
| 348 | S | 37.6 | Very low | 36 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 76% | 0.762 | 65% | 0.654 | S | S | * | * | trans | -58.7 | 100.7 | -169.6 | 46.6 | 0 | 0 | 0 | 0 | 112.2 | E346 | E346-S348 PolarHBondContact O-N 3.28Š| ||
| 349 | V | 37.8 | Very low | 37.1 | Very low | 86 Ų | 86 | 117.3 Ų | 117.3 | 52% | 0.521 | 63% | 0.631 | S | S | . | * | trans | -58.6 | 128.8 | 163.1 | -178.3 | 0 | 0 | 0 | 0 | 107.1 | N347 A351 R353 | N347-V349 PolarHBondContact O-N 3.09Å; V349-A351 PolarHBondContact O-N 3.4Å; V349-R353 HydrophobicContact CG1-CB 3.99Å | ||
| 350 | P | 39 | Very low | 37.4 | Very low | 71 Ų | 71 | 116.7 Ų | 116.7 | 46% | 0.461 | 64% | 0.64 | S | S | . | * | trans | -51.8 | 135.4 | 176.2 | -27.4 | 34.5 | 0 | 0 | 0 | 110.6 | D352 R353 | P350-D352 PolarHBondContact O-N 2.98Å; P350-R353 HydrophobicContact CB-CG 4.5Å; P350-R353 PolarHBondContact O-N 3.1Å | ||
| 351 | A | 44.1 | Very low | 37.9 | Very low | 59 Ų | 59 | 114.3 Ų | 114.3 | 49% | 0.488 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.4 | -22.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q232 V349 Q355 | Q232-A351 PolarHBondContact NE2-O 3.06Å; V349-A351 PolarHBondContact O-N 3.4Å; A351-Q355 PolarHBondContact O-NE2 3.18Å |
| 352 | D | 40.7 | Very low | 38.6 | Very low | 103 Ų | 103 | 115.2 Ų | 115.2 | 55% | 0.551 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 19.8 | 179.5 | -43.8 | -50.3 | 0 | 0 | 0 | 113.8 | V229 P350 | V229-D352 VanDerWaalsContact O-O 3.09Å; P350-D352 PolarHBondContact O-N 2.98Å |
| 353 | R | 42.3 | Very low | 38.9 | Very low | 137 Ų | 137 | 110.3 Ų | 110.3 | 52% | 0.517 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -124.7 | 155.8 | 172.6 | -73.4 | -171.7 | 177.2 | -176.6 | 0.7 | 111.7 | V349 P350 Q355 | V349-R353 HydrophobicContact CG1-CB 3.99Å; P350-R353 HydrophobicContact CB-CG 4.5Å; P350-R353 PolarHBondContact O-N 3.1Å; R353-Q355 WeakPolarHBondContact O-CG 3.38Å; R353-Q355 PolarHBondContact O-N 2.9Å; R353-Q355 VanDerWaalsContact O-N 3.17Å |
| 354 | L | 46.7 | Very low | 39.7 | Very low | 44 Ų | 44 | 111.2 Ų | 111.2 | 23% | 0.23 | 60% | 0.597 | C | S | . | * | trans | -65.5 | 113.2 | -176.6 | -160.2 | 149.4 | 0 | 0 | 0 | 111.7 | L231 L234 V357 | L231-L354 HydrophobicContact CB-CD1 4.11Å; L231-L354 HydrophobicContact CD2-CD1 3.68Å; L231-L354 HydrophobicContact CG-CD1 3.82Å; L231-L354 WeakPolarHBondContact O-CA 3.47Å; L231-L354 WeakPolarHBondContact O-CB 3.49Å; L231-L354 WeakPolarHBondContact O-CG 3.35Å; L234-L354 HydrophobicContact CB-CD1 4.31Å; L354-V357 HydrophobicContact CD2-CG2 3.27Å | ||
| 355 | Q | 40.6 | Very low | 40 | Very low | 104 Ų | 104 | 105.6 Ų | 105.6 | 49% | 0.486 | 58% | 0.576 | S | S | . | * | trans | -91.2 | -32.5 | -167.4 | -52.2 | -174.4 | -0.6 | 0 | 0 | 112.2 | Q232 A351 R353 | Q232-Q355 HydrophobicContact CB-CG 4.29Å; Q232-Q355 HydrophobicContact CG-CG 4.38Å; Q232-Q355 PolarHBondContact O-N 3.23Å; A351-Q355 PolarHBondContact O-NE2 3.18Å; R353-Q355 WeakPolarHBondContact O-CG 3.38Å; R353-Q355 PolarHBondContact O-N 2.9Å; R353-Q355 VanDerWaalsContact O-N 3.17Å | ||
| 356 | R | 46.9 | Very low | 40.9 | Very low | 163 Ų | 163 | 102.9 Ų | 102.9 | 62% | 0.615 | 57% | 0.569 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -141.1 | 116.5 | -174 | -72 | -178.7 | 162.1 | -180 | -5.7 | 112.7 | Q232 E233 L234 | Q232-R356 PolarHBondContact O-N 3.07Å; E233-R356 WeakPolarHBondContact CA-O 3.43Å; L234-R356 PolarHBondContact N-O 3Å |
| 357 | V | 51.2 | Low | 41.2 | Very low | 59 Ų | 59 | 95.6 Ų | 95.6 | 36% | 0.358 | 54% | 0.541 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 121.5 | 164.2 | -174.2 | 0 | 0 | 0 | 0 | 108.8 | L234 L324 L354 L359 | L234-V357 WeakPolarHBondContact O-CA 3.47Å; L324-V357 HydrophobicContact CD1-CG2 4.47Å; L354-V357 HydrophobicContact CD2-CG2 3.27Å; V357-L359 HydrophobicContact CG1-CD1 3.68Å; V357-L359 HydrophobicContact CG1-CG 3.82Å |
| 358 | L | 39.4 | Very low | 42 | Very low | 103 Ų | 103 | 92.5 Ų | 92.5 | 54% | 0.539 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 99.9 | 175.2 | -63.7 | 175.1 | 0 | 0 | 0 | 110.6 | L234 L236 R237 | L234-L358 PolarHBondContact O-N 3.15Å; L236-L358 CarbonylContact C-O 3.43Å; L236-L358 PolarHBondContact N-O 2.89Å; R237-L358 PolarHBondContact N-O 3.09Å; R237-L358 VanDerWaalsContact N-O 3.08Å |
| 359 | L | 46.3 | Very low | 42.4 | Very low | 76 Ų | 76 | 91.2 Ų | 91.2 | 40% | 0.398 | 51% | 0.507 | S | S | . | . | trans | -116.5 | 122.7 | 172.1 | -68.9 | 157.1 | 0 | 0 | 0 | 108.1 | L236 L241 F309 V357 | L236-L359 HydrophobicContact CB-CD2 3.81Å; L236-L359 HydrophobicContact CD1-CD2 4.04Å; L241-L359 HydrophobicContact CD1-CD2 4.27Å; F309-L359 HydrophobicContact CD1-CD1 3.82Å; F309-L359 HydrophobicContact CD1-CD2 4.36Å; F309-L359 HydrophobicContact CE1-CD1 3.76Å; F309-L359 HydrophobicContact CE1-CD2 3.8Å; F309-L359 HydrophobicContact CE1-CG 4.46Å; V357-L359 HydrophobicContact CG1-CD1 3.68Å; V357-L359 HydrophobicContact CG1-CG 3.82Å | ||
| 360 | G | 33.5 | Very low | 42.8 | Very low | 89 Ų | 89 | 91.6 Ų | 91.6 | 92% | 0.918 | 51% | 0.505 | S | S | * | . | trans | 156.6 | 0 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R237 | R237-G360 WeakPolarHBondContact CB-O 3.36Å; R237-G360 WeakPolarHBondContact CD-O 3.33Å; R237-G360 WeakPolarHBondContact CG-O 3.08Å; R237-G360 PolarHBondContact NH1-O 3.47Å |
Retrieved 360 of 360 residues in 102.2 ms
(Link to these results)