| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 33.6 | Very low | 83.3 | Confident | 201 Ų | 201 | 65.6 Ų | 65.6 | 99% | 0.99 | 37% | 0.365 | S | S | * | . | 0 | 118.7 | 0 | -82.2 | 176.3 | -117.6 | 0 | 0 | 105.1 | Y3 | M1-Y3 HydrophobicContact CB-CD2 4.49Å; M1-Y3 HydrophobicContact CB-CE2 3.92Å; M1-Y3 PolarHBondContact O-N 3.13Å | |||
| 2 | C | 42.8 | Very low | 84.3 | Confident | 118 Ų | 118 | 74.1 Ų | 74.1 | 80% | 0.797 | 39% | 0.387 | S | S | * | . | trans | -80.7 | 109.8 | 169.7 | -145.4 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 3 | Y | 66.8 | Low | 85.2 | Confident | 140 Ų | 140 | 71.3 Ų | 71.3 | 55% | 0.549 | 37% | 0.371 | S | S | . | . | trans | -80.4 | 147.4 | 164.7 | -60.8 | -80.5 | 0 | 0 | 0 | 106.7 | M1 | M1-Y3 HydrophobicContact CB-CD2 4.49Å; M1-Y3 HydrophobicContact CB-CE2 3.92Å; M1-Y3 PolarHBondContact O-N 3.13Å | ||
| 4 | G | 87.8 | Confident | 85.7 | Confident | 34 Ų | 34 | 81.7 Ų | 81.7 | 35% | 0.351 | 40% | 0.403 | S | S | . | . | trans | -67.7 | 149.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110 | S36 D236 | G4-S36 VanDerWaalsContact O-CB 3.24Å; G4-S36 WeakPolarHBondContact O-CB 3.23Å; G4-D236 VanDerWaalsContact CA-CG 3.49Å; G4-D236 VanDerWaalsContact CA-OD1 3.3Å; G4-D236 WeakPolarHBondContact CA-OD1 3.25Å; G4-D236 WeakPolarHBondContact CA-OD2 3.48Å | ||
| 5 | D | 95.1 | Very high | 86 | Confident | 8 Ų | 8 | 77.9 Ų | 77.9 | 4% | 0.043 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -87.4 | -14.5 | -176.7 | -66 | -32.3 | 0 | 0 | 0 | 112.1 | G24 R29 P35 S36 S39 D236 | D5-G24 WeakPolarHBondContact CB-O 3.47Å; D5-G24 PolarHBondContact O-N 3.41Å; D5-G24 VanDerWaalsContact O-N 3.14Å; D5-R29 IonicContact OD1-CZ 3.43Å; D5-R29 IonicContact OD1-NH2 2.7Å; D5-R29 PolarHBondContact OD1-NH2 2.83Å; D5-R29 IonicContact OD2-CZ 2.77Å; D5-R29 VanDerWaalsContact OD2-CZ 3.26Å; D5-R29 IonicContact OD2-NH1 2.74Å; D5-R29 PolarHBondContact OD2-NH1 2.78Å; D5-R29 IonicContact OD2-NH2 3.8Å; D5-R29 PolarHBondContact OD2-NH2 2.71Å; D5-P35 HydrophobicContact CB-CB 3.97Å; D5-P35 WeakPolarHBondContact OD1-CD 3.32Å; D5-S36 PolarHBondContact OD1-N 3.26Å; D5-S39 WeakPolarHBondContact O-CB 3.33Å; D5-S39 PolarHBondContact O-OG 3.13Å; D5-D236 PolarHBondContact N-OD2 3Å |
| 6 | D | 98.1 | Very high | 86.7 | Confident | 24 Ų | 24 | 73.1 Ų | 73.1 | 13% | 0.128 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 149.2 | 171.6 | -86.9 | 2.8 | 0 | 0 | 0 | 114.6 | A22 D23 T167 D236 I237 T238 | D6-A22 CarbonylContact C-O 3.55Å; D6-A22 WeakPolarHBondContact CA-O 3.25Å; D6-D23 WeakPolarHBondContact OD1-CA 3.49Å; D6-D23 WeakPolarHBondContact OD1-CB 3.26Å; D6-T167 WeakPolarHBondContact OD1-CG2 3.45Å; D6-T167 WeakPolarHBondContact OD2-CG2 3.38Å; D6-T167 PolarHBondContact OD2-OG1 3.46Å; D6-D236 HydrophobicContact CB-CB 4.05Å; D6-I237 PolarHBondContact OD2-N 3.3Å; D6-T238 WeakPolarHBondContact CB-OG1 3.44Å; D6-T238 VanDerWaalsContact OD2-CB 3.24Å; D6-T238 WeakPolarHBondContact OD2-CB 3.4Å; D6-T238 PolarHBondContact OD2-N 3.05Å; D6-T238 VanDerWaalsContact OD2-N 3.1Å; D6-T238 PolarHBondContact OD2-OG1 3.37Å |
| 7 | A | 98.4 | Very high | 87.3 | Confident | 13 Ų | 13 | 71.1 Ų | 71.1 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 155.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | V21 A22 S40 M43 | A7-V21 CarbonylContact O-C 3.24Å; A7-V21 WeakPolarHBondContact O-CA 3.34Å; A7-A22 PolarHBondContact N-O 3.02Å; A7-A22 PolarHBondContact O-N 2.84Å; A7-S40 VanDerWaalsContact CB-CA 3.49Å; A7-M43 HydrophobicContact CB-CB 4.16Å; A7-M43 HydrophobicContact CB-CG 3.81Å |
| 8 | C | 98.6 | Very high | 87.9 | Confident | 63 Ų | 63 | 67.1 Ų | 67.1 | 43% | 0.426 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 164.4 | 173.6 | 66.3 | 0 | 0 | 0 | 0 | 112.9 | G20 V21 T238 L240 | C8-G20 CarbonylContact C-O 3.41Å; C8-G20 WeakPolarHBondContact CA-O 3.43Å; C8-G20 VanDerWaalsContact CB-O 3.3Å; C8-G20 WeakPolarHBondContact CB-O 3.45Å; C8-V21 HydrophobicContact CB-CG1 4.06Å; C8-T238 HydrophobicContact CB-CG2 3.78Å; C8-L240 HydrophobicContact CB-CD1 4.17Å; C8-L240 HydrophobicContact CB-CD2 4.1Å; C8-L240 HydrophobicContact CB-CG 4.37Å |
| 9 | F | 98.6 | Very high | 88.5 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.035 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 157.8 | 165.2 | 76.8 | -84.3 | 0 | 0 | 0 | 112.3 | A11 V18 G20 M43 C46 E47 V50 I86 | F9-A11 HydrophobicContact CD2-CB 3.95Å; F9-A11 HydrophobicContact CE2-CB 4.08Å; F9-V18 HydrophobicContact CE2-CB 4.17Å; F9-V18 HydrophobicContact CE2-CG1 3.79Å; F9-V18 HydrophobicContact CZ-CG1 3.79Å; F9-G20 PolarHBondContact N-O 2.93Å; F9-G20 PolarHBondContact O-N 2.85Å; F9-M43 HydrophobicContact CD1-CB 4.02Å; F9-M43 HydrophobicContact CD1-CG 4.38Å; F9-M43 WeakPolarHBondContact CD1-O 3.26Å; F9-M43 HydrophobicContact CD1-SD 3.62Å; F9-M43 HydrophobicContact CE1-SD 3.85Å; F9-C46 HydrophobicContact CD1-CB 4.05Å; F9-C46 HydrophobicContact CE1-CB 3.35Å; F9-C46 HydrophobicContact CE2-CB 4.44Å; F9-C46 HydrophobicContact CZ-CB 3.59Å; F9-E47 HydrophobicContact CB-CB 3.8Å; F9-E47 HydrophobicContact CB-CG 3.98Å; F9-E47 HydrophobicContact CD2-CB 3.72Å; F9-E47 HydrophobicContact CD2-CG 3.88Å; F9-E47 HydrophobicContact CE2-CB 4.49Å; F9-E47 HydrophobicContact CG-CB 3.81Å; F9-E47 HydrophobicContact CG-CG 4.23Å; F9-V50 HydrophobicContact CE2-CG2 4.36Å; F9-I86 HydrophobicContact CE1-CD1 3.81Å; F9-I86 HydrophobicContact CZ-CD1 4.2Å |
| 10 | I | 98 | Very high | 89 | Confident | 109 Ų | 109 | 61.3 Ų | 61.3 | 56% | 0.559 | 31% | 0.306 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 121.2 | 168.7 | -54.3 | -176.7 | 0 | 0 | 0 | 106.9 | L19 L240 | I10-L19 HydrophobicContact CB-CD2 4.05Å; I10-L19 HydrophobicContact CD1-CD2 4.07Å; I10-L19 HydrophobicContact CG1-CD2 3.62Å; I10-L19 HydrophobicContact CG2-CD2 3.72Å; I10-L240 HydrophobicContact CD1-CD2 4.2Å; I10-L240 HydrophobicContact CG1-CD1 4.42Å; I10-L240 HydrophobicContact CG1-CD2 4.28Å |
| 11 | A | 97.9 | Very high | 89.5 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 3% | 0.033 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 146.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F9 V18 E47 V50 K51 | F9-A11 HydrophobicContact CD2-CB 3.95Å; F9-A11 HydrophobicContact CE2-CB 4.08Å; A11-V18 PolarHBondContact N-O 3.4Å; A11-V18 PolarHBondContact O-N 2.84Å; A11-E47 HydrophobicContact CB-CG 4Å; A11-V50 HydrophobicContact CB-CB 3.84Å; A11-V50 HydrophobicContact CB-CG1 3.52Å; A11-K51 HydrophobicContact CB-CG 4.4Å |
| 12 | R | 95.9 | Very high | 92.5 | Very high | 167 Ų | 167 | 48.8 Ų | 48.8 | 63% | 0.63 | 24% | 0.244 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 135.3 | 174.4 | 178.8 | 177.3 | -67.2 | 161.1 | 1.7 | 109.3 | D17 | R12-D17 WeakPolarHBondContact CG-OD1 3.49Å; R12-D17 IonicContact CZ-OD1 2.81Å; R12-D17 IonicContact NE-OD1 2.7Å; R12-D17 PolarHBondContact NE-OD1 3.44Å; R12-D17 IonicContact NH2-OD1 3.61Å; R12-D17 PolarHBondContact NH2-OD1 3.49Å |
| 13 | H | 95.5 | Very high | 95.2 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 18% | 0.176 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 117.2 | 173.3 | 177.1 | -74.1 | 0 | 0 | 0 | 111.5 | S15 A16 V50 G53 F55 | H13-S15 VanDerWaalsContact C-N 3.34Å; H13-S15 PolarHBondContact O-N 3.06Å; H13-A16 PolarHBondContact N-O 3.4Å; H13-A16 PolarHBondContact O-N 2.85Å; H13-V50 HydrophobicContact CB-CG1 4.11Å; H13-V50 VanDerWaalsContact CB-O 3.25Å; H13-V50 WeakPolarHBondContact CB-O 3.43Å; H13-V50 PolarHBondContact CD2-O 2.91Å; H13-V50 VanDerWaalsContact CD2-O 3.25Å; H13-G53 VanDerWaalsContact CD2-CA 3.45Å; H13-G53 WeakPolarHBondContact CD2-CA 3.41Å; H13-G53 PolarHBondContact CD2-N 2.79Å; H13-G53 WeakPolarHBondContact NE2-CA 3.26Å; H13-F55 HydrophobicContact CB-CE1 3.87Å; H13-F55 HydrophobicContact CB-CZ 4.16Å; H13-F55 AromaticContact CG-CE1 3.95Å |
| 14 | R | 92.1 | Very high | 96.7 | Very high | 217 Ų | 217 | 37.1 Ų | 37.1 | 82% | 0.819 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | -80.1 | 175.5 | -63.7 | -176.2 | -167.2 | -166.4 | -0.6 | 115.5 | R91 | R14-R91 PolarHBondContact O-NH2 2.86Š|
| 15 | S | 91.1 | Very high | 97.1 | Very high | 25 Ų | 25 | 37 Ų | 37 | 18% | 0.175 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 4.8 | -177.4 | 57.5 | 0 | 0 | 0 | 0 | 114 | H13 R91 | H13-S15 VanDerWaalsContact C-N 3.34Å; H13-S15 PolarHBondContact O-N 3.06Å; S15-R91 VanDerWaalsContact C-CZ 3.44Å; S15-R91 WeakPolarHBondContact O-CA 3.42Å; S15-R91 WeakPolarHBondContact O-CB 3.26Å; S15-R91 WeakPolarHBondContact O-CG 3.42Å; S15-R91 PolarHBondContact O-N 3.23Å |
| 16 | A | 96.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 148.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | H13 F55 P57 V88 L89 R91 | H13-A16 PolarHBondContact N-O 3.4Å; H13-A16 PolarHBondContact O-N 2.85Å; A16-F55 HydrophobicContact CB-CE2 4.1Å; A16-F55 HydrophobicContact CB-CZ 3.97Å; A16-P57 HydrophobicContact CB-CB 4.22Å; A16-P57 HydrophobicContact CB-CG 4.13Å; A16-V88 HydrophobicContact CB-CG1 4.14Å; A16-L89 WeakPolarHBondContact CA-O 3.26Å; A16-R91 PolarHBondContact O-NH1 3.11Å; A16-R91 VanDerWaalsContact O-NH1 3.12Å |
| 17 | D | 97.4 | Very high | 96.6 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 21% | 0.209 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 133.8 | 162.9 | -63.5 | -68.2 | 0 | 0 | 0 | 107.2 | R12 V88 L89 R91 | R12-D17 WeakPolarHBondContact CG-OD1 3.49Å; R12-D17 IonicContact CZ-OD1 2.81Å; R12-D17 IonicContact NE-OD1 2.7Å; R12-D17 PolarHBondContact NE-OD1 3.44Å; R12-D17 IonicContact NH2-OD1 3.61Å; R12-D17 PolarHBondContact NH2-OD1 3.49Å; D17-V88 WeakPolarHBondContact O-CA 3.43Å; D17-L89 HydrophobicContact CB-CB 4.41Å; D17-L89 PolarHBondContact N-O 2.76Å; D17-L89 VanDerWaalsContact N-O 3.08Å; D17-L89 PolarHBondContact O-N 3.35Å; D17-R91 IonicContact OD1-NH1 3.09Å; D17-R91 PolarHBondContact OD1-NH1 3.31Å; D17-R91 IonicContact OD2-CZ 3.06Å; D17-R91 IonicContact OD2-NH1 3.77Å; D17-R91 PolarHBondContact OD2-NH1 2.9Å |
| 18 | V | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 129.7 | -175.7 | -171 | 0 | 0 | 0 | 0 | 109.3 | F9 A11 V50 F55 I86 V87 V88 | F9-V18 HydrophobicContact CE2-CB 4.17Å; F9-V18 HydrophobicContact CE2-CG1 3.79Å; F9-V18 HydrophobicContact CZ-CG1 3.79Å; A11-V18 PolarHBondContact N-O 3.4Å; A11-V18 PolarHBondContact O-N 2.84Å; V18-V50 HydrophobicContact CB-CG1 4.03Å; V18-V50 HydrophobicContact CB-CG2 3.96Å; V18-V50 HydrophobicContact CG1-CG2 3.96Å; V18-V50 HydrophobicContact CG2-CB 4.44Å; V18-V50 HydrophobicContact CG2-CG1 3.65Å; V18-V50 HydrophobicContact CG2-CG2 3.86Å; V18-F55 HydrophobicContact CG2-CE2 3.86Å; V18-F55 HydrophobicContact CG2-CZ 4.14Å; V18-I86 HydrophobicContact CG1-CG2 3.93Å; V18-V87 CarbonylContact C-O 3.54Å; V18-V87 WeakPolarHBondContact CA-O 3.42Å; V18-V88 HydrophobicContact CB-CG2 4.49Å; V18-V88 HydrophobicContact CG1-CG2 3.88Å; V18-V88 HydrophobicContact CG2-CB 4.48Å; V18-V88 HydrophobicContact CG2-CG1 4.1Å; V18-V88 HydrophobicContact CG2-CG2 4.03Å |
| 19 | L | 98.1 | Very high | 96.1 | Very high | 17 Ų | 17 | 41.4 Ų | 41.4 | 9% | 0.089 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146.3 | 176.2 | -56.7 | 167.3 | 0 | 0 | 0 | 107.7 | I10 V87 L240 S242 | I10-L19 HydrophobicContact CB-CD2 4.05Å; I10-L19 HydrophobicContact CD1-CD2 4.07Å; I10-L19 HydrophobicContact CG1-CD2 3.62Å; I10-L19 HydrophobicContact CG2-CD2 3.72Å; L19-V87 HydrophobicContact CB-CB 4.41Å; L19-V87 PolarHBondContact N-O 2.64Å; L19-V87 PolarHBondContact O-N 2.87Å; L19-L240 HydrophobicContact CB-CD1 4.02Å; L19-L240 HydrophobicContact CD2-CD1 4.29Å; L19-S242 WeakPolarHBondContact CD1-OG 3.44Å |
| 20 | G | 98.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 146.3 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C8 F9 C85 | C8-G20 CarbonylContact C-O 3.41Å; C8-G20 WeakPolarHBondContact CA-O 3.43Å; C8-G20 VanDerWaalsContact CB-O 3.3Å; C8-G20 WeakPolarHBondContact CB-O 3.45Å; F9-G20 PolarHBondContact N-O 2.93Å; F9-G20 PolarHBondContact O-N 2.85Å; G20-C85 WeakPolarHBondContact CA-O 3.35Å |
| 21 | V | 98.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 151.3 | 170.6 | -60 | 0 | 0 | 0 | 0 | 109.1 | A7 C8 A84 C85 T165 T167 T238 L240 | A7-V21 CarbonylContact O-C 3.24Å; A7-V21 WeakPolarHBondContact O-CA 3.34Å; C8-V21 HydrophobicContact CB-CG1 4.06Å; V21-A84 WeakPolarHBondContact O-CA 3.34Å; V21-C85 HydrophobicContact CG2-CB 3.85Å; V21-C85 PolarHBondContact N-O 2.85Å; V21-C85 PolarHBondContact O-N 2.82Å; V21-T165 HydrophobicContact CG1-CG2 4.04Å; V21-T165 HydrophobicContact CG2-CG2 3.78Å; V21-T167 HydrophobicContact CB-CG2 4.06Å; V21-T167 HydrophobicContact CG2-CG2 4.27Å; V21-T238 HydrophobicContact CG1-CG2 3.88Å; V21-L240 HydrophobicContact CG1-CD1 3.75Å; V21-L240 HydrophobicContact CG1-CG 3.9Å |
| 22 | A | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 133.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | D6 A7 M43 T83 | D6-A22 CarbonylContact C-O 3.55Å; D6-A22 WeakPolarHBondContact CA-O 3.25Å; A7-A22 PolarHBondContact N-O 3.02Å; A7-A22 PolarHBondContact O-N 2.84Å; A22-M43 HydrophobicContact CB-CE 3.71Å; A22-M43 HydrophobicContact CB-CG 3.88Å; A22-M43 HydrophobicContact CB-SD 3.99Å; A22-T83 WeakPolarHBondContact CA-O 3.38Å; A22-T83 WeakPolarHBondContact CB-O 3.4Å |
| 23 | D | 98.4 | Very high | 94.9 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 8% | 0.075 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.7 | 170.6 | 165.4 | 32.6 | 0 | 0 | 0 | 109.3 | D6 S82 T83 T167 | D6-D23 WeakPolarHBondContact OD1-CA 3.49Å; D6-D23 WeakPolarHBondContact OD1-CB 3.26Å; D23-S82 CarbonylContact O-C 3.59Å; D23-S82 WeakPolarHBondContact O-CA 3.49Å; D23-S82 WeakPolarHBondContact O-CB 3.36Å; D23-T83 WeakPolarHBondContact CB-OG1 3.39Å; D23-T83 PolarHBondContact N-OG1 3.36Å; D23-T83 VanDerWaalsContact N-OG1 3.08Å; D23-T83 PolarHBondContact O-N 3.37Å; D23-T83 PolarHBondContact O-OG1 2.94Å; D23-T167 HydrophobicContact CB-CG2 3.98Å |
| 24 | G | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -79.2 | 124.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D5 G26 S81 | D5-G24 WeakPolarHBondContact CB-O 3.47Å; D5-G24 PolarHBondContact O-N 3.41Å; D5-G24 VanDerWaalsContact O-N 3.14Å; G24-G26 PolarHBondContact O-N 2.76Å; G24-S81 WeakPolarHBondContact CA-O 3.33Å |
| 25 | V | 95.8 | Very high | 95 | Very high | 32 Ų | 32 | 38.8 Ų | 38.8 | 19% | 0.194 | 22% | 0.224 | C | C | . | . | trans | -63.8 | 112.2 | -172.7 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | G27 W28 S81 Q130 | V25-G27 PolarHBondContact O-N 3.33Å; V25-W28 VanDerWaalsContact O-CD1 3.29Å; V25-W28 PolarHBondContact O-N 3.34Å; V25-S81 VanDerWaalsContact CB-OG 3.29Å; V25-S81 WeakPolarHBondContact CB-OG 3.46Å; V25-S81 VanDerWaalsContact CG2-OG 3.25Å; V25-S81 WeakPolarHBondContact CG2-OG 3.49Å; V25-S81 PolarHBondContact N-O 2.78Å; V25-Q130 HydrophobicContact CG2-CB 4.42Å | ||
| 26 | G | 92.6 | Very high | 95.2 | Very high | 35 Ų | 35 | 38.4 Ų | 38.4 | 36% | 0.361 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -58.3 | -25 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | G24 W28 R29 | G24-G26 PolarHBondContact O-N 2.76Å; G26-W28 PolarHBondContact O-N 2.96Å; G26-W28 VanDerWaalsContact O-N 3.11Å; G26-R29 VanDerWaalsContact O-CB 3.25Å; G26-R29 WeakPolarHBondContact O-CB 3.27Å; G26-R29 PolarHBondContact O-N 3.48Å; G26-R29 VanDerWaalsContact O-N 3.08Å |
| 27 | G | 91.7 | Very high | 95.2 | Very high | 40 Ų | 40 | 43.1 Ų | 43.1 | 41% | 0.412 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -60.1 | -21.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V25 R29 D30 | V25-G27 PolarHBondContact O-N 3.33Å; G27-R29 PolarHBondContact O-N 2.91Å; G27-D30 PolarHBondContact O-N 3.42Å |
| 28 | W | 93.4 | Very high | 95.2 | Very high | 20 Ų | 20 | 41.3 Ų | 41.3 | 8% | 0.076 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -62.1 | -23.5 | 174.8 | -78.4 | 103.3 | 0 | 0 | 0 | 113.9 | V25 G26 D30 Y31 G32 V33 P35 G80 S81 P135 V142 | V25-W28 VanDerWaalsContact O-CD1 3.29Å; V25-W28 PolarHBondContact O-N 3.34Å; G26-W28 PolarHBondContact O-N 2.96Å; G26-W28 VanDerWaalsContact O-N 3.11Å; W28-D30 PolarHBondContact O-N 2.91Å; W28-Y31 CarbonylContact O-C 3.46Å; W28-Y31 WeakPolarHBondContact O-CA 3.48Å; W28-Y31 WeakPolarHBondContact O-CB 3.39Å; W28-Y31 PolarHBondContact O-N 3.47Å; W28-G32 PolarHBondContact O-N 3.12Å; W28-V33 CarbonylContact C-O 3.6Å; W28-V33 VanDerWaalsContact C-O 3.24Å; W28-V33 HydrophobicContact CB-CB 3.97Å; W28-V33 HydrophobicContact CB-CG1 4.02Å; W28-V33 HydrophobicContact CD2-CG1 4.31Å; W28-V33 HydrophobicContact CE3-CB 3.93Å; W28-V33 HydrophobicContact CE3-CG1 4.01Å; W28-V33 HydrophobicContact CE3-CG2 3.98Å; W28-V33 HydrophobicContact CG-CG1 4.34Å; W28-V33 HydrophobicContact CZ3-CG2 4.48Å; W28-V33 PolarHBondContact O-N 3.48Å; W28-V33 VanDerWaalsContact O-N 3.12Å; W28-P35 HydrophobicContact CB-CG 4.21Å; W28-G80 VanDerWaalsContact CE2-C 3.44Å; W28-G80 VanDerWaalsContact NE1-C 3.32Å; W28-S81 PolarHBondContact NE1-OG 2.87Å; W28-P135 HydrophobicContact CZ3-CG 4.27Å; W28-V142 HydrophobicContact CH2-CG1 4.06Å; W28-V142 HydrophobicContact CH2-CG2 4.1Å; W28-V142 HydrophobicContact CZ2-CG1 3.63Å; W28-V142 HydrophobicContact CZ2-CG2 4.48Å |
| 29 | R | 92.8 | Very high | 95.1 | Very high | 105 Ų | 105 | 41.3 Ų | 41.3 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -60.9 | -33.1 | 178.4 | -171.9 | 169.6 | -75.3 | 109.1 | -2.4 | 112.5 | D5 G26 G27 Y31 G32 V33 | D5-R29 IonicContact OD1-CZ 3.43Å; D5-R29 IonicContact OD1-NH2 2.7Å; D5-R29 PolarHBondContact OD1-NH2 2.83Å; D5-R29 IonicContact OD2-CZ 2.77Å; D5-R29 VanDerWaalsContact OD2-CZ 3.26Å; D5-R29 IonicContact OD2-NH1 2.74Å; D5-R29 PolarHBondContact OD2-NH1 2.78Å; D5-R29 IonicContact OD2-NH2 3.8Å; D5-R29 PolarHBondContact OD2-NH2 2.71Å; G26-R29 VanDerWaalsContact O-CB 3.25Å; G26-R29 WeakPolarHBondContact O-CB 3.27Å; G26-R29 PolarHBondContact O-N 3.48Å; G26-R29 VanDerWaalsContact O-N 3.08Å; G27-R29 PolarHBondContact O-N 2.91Å; R29-Y31 PolarHBondContact O-N 3.36Å; R29-G32 PolarHBondContact O-N 2.91Å; R29-V33 WeakPolarHBondContact CA-O 3.48Å; R29-V33 PolarHBondContact N-O 3.29Å |
| 30 | D | 90.9 | Very high | 95.1 | Very high | 148 Ų | 148 | 42 Ų | 42 | 79% | 0.791 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -66.3 | -20.3 | 176.2 | -68.6 | -21 | 0 | 0 | 0 | 112.6 | G27 W28 | G27-D30 PolarHBondContact O-N 3.42Å; W28-D30 PolarHBondContact O-N 2.91Å |
| 31 | Y | 89.6 | Confident | 95.1 | Very high | 191 Ų | 191 | 43.8 Ų | 43.8 | 75% | 0.749 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -99 | 8.2 | 175.9 | -59.3 | -86.2 | 0 | 0 | 0 | 112.9 | W28 R29 V33 | W28-Y31 CarbonylContact O-C 3.46Å; W28-Y31 WeakPolarHBondContact O-CA 3.48Å; W28-Y31 WeakPolarHBondContact O-CB 3.39Å; W28-Y31 PolarHBondContact O-N 3.47Å; R29-Y31 PolarHBondContact O-N 3.36Å; Y31-V33 PolarHBondContact O-N 2.74Å |
| 32 | G | 91.6 | Very high | 95 | Very high | 74 Ų | 74 | 43.8 Ų | 43.8 | 76% | 0.763 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | 16.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | W28 R29 | W28-G32 PolarHBondContact O-N 3.12Å; R29-G32 PolarHBondContact O-N 2.91Å |
| 33 | V | 93.1 | Very high | 95 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 14% | 0.139 | 25% | 0.251 | C | S | . | . | trans | -98.8 | 133.4 | 175.3 | 173.8 | 0 | 0 | 0 | 0 | 108.5 | W28 R29 Y31 P35 L79 | W28-V33 CarbonylContact C-O 3.6Å; W28-V33 VanDerWaalsContact C-O 3.24Å; W28-V33 HydrophobicContact CB-CB 3.97Å; W28-V33 HydrophobicContact CB-CG1 4.02Å; W28-V33 HydrophobicContact CD2-CG1 4.31Å; W28-V33 HydrophobicContact CE3-CB 3.93Å; W28-V33 HydrophobicContact CE3-CG1 4.01Å; W28-V33 HydrophobicContact CE3-CG2 3.98Å; W28-V33 HydrophobicContact CG-CG1 4.34Å; W28-V33 HydrophobicContact CZ3-CG2 4.48Å; W28-V33 PolarHBondContact O-N 3.48Å; W28-V33 VanDerWaalsContact O-N 3.12Å; R29-V33 WeakPolarHBondContact CA-O 3.48Å; R29-V33 PolarHBondContact N-O 3.29Å; Y31-V33 PolarHBondContact O-N 2.74Å; V33-P35 WeakPolarHBondContact O-CD 3.49Å; V33-L79 HydrophobicContact CG1-CB 4.01Å; V33-L79 WeakPolarHBondContact CG1-O 3.39Å; V33-L79 HydrophobicContact CG2-CB 4.02Å; V33-L79 HydrophobicContact CG2-CD1 4.27Å | ||
| 34 | D | 94.3 | Very high | 95 | Very high | 51 Ų | 51 | 49.4 Ų | 49.4 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | trans | -87.5 | 107.9 | -179.2 | 177.2 | 4.1 | 0 | 0 | 0 | 109.8 | S36 Q37 | D34-S36 VanDerWaalsContact C-N 3.26Å; D34-S36 VanDerWaalsContact CG-OG 3.28Å; D34-S36 PolarHBondContact O-N 2.87Å; D34-S36 WeakPolarHBondContact OD1-CB 3.3Å; D34-S36 PolarHBondContact OD1-N 2.84Å; D34-S36 PolarHBondContact OD1-OG 2.95Å; D34-S36 PolarHBondContact OD2-OG 3.42Å; D34-Q37 HydrophobicContact CB-CG 4Å; D34-Q37 PolarHBondContact O-N 3.19Å; D34-Q37 VanDerWaalsContact O-N 3.17Å; D34-Q37 PolarHBondContact OD2-NE2 3.11Å | ||
| 35 | P | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -34.1 | -173.1 | -16.5 | 27.9 | 0 | 0 | 0 | 112.8 | D5 W28 V33 Q37 F38 S39 | D5-P35 HydrophobicContact CB-CB 3.97Å; D5-P35 WeakPolarHBondContact OD1-CD 3.32Å; W28-P35 HydrophobicContact CB-CG 4.21Å; V33-P35 WeakPolarHBondContact O-CD 3.49Å; P35-Q37 PolarHBondContact O-N 3.05Å; P35-F38 PolarHBondContact O-N 3.16Å; P35-S39 PolarHBondContact O-N 3.22Å |
| 36 | S | 95.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 48.6 Ų | 48.6 | 12% | 0.119 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.6 | -25.2 | 177.9 | 76.7 | 0 | 0 | 0 | 0 | 114 | G4 D5 D34 S39 S40 | G4-S36 VanDerWaalsContact O-CB 3.24Å; G4-S36 WeakPolarHBondContact O-CB 3.23Å; D5-S36 PolarHBondContact OD1-N 3.26Å; D34-S36 VanDerWaalsContact C-N 3.26Å; D34-S36 VanDerWaalsContact CG-OG 3.28Å; D34-S36 PolarHBondContact O-N 2.87Å; D34-S36 WeakPolarHBondContact OD1-CB 3.3Å; D34-S36 PolarHBondContact OD1-N 2.84Å; D34-S36 PolarHBondContact OD1-OG 2.95Å; D34-S36 PolarHBondContact OD2-OG 3.42Å; S36-S39 PolarHBondContact O-OG 3.09Å; S36-S40 WeakPolarHBondContact O-CB 3.42Å; S36-S40 PolarHBondContact O-N 3.15Å; S36-S40 PolarHBondContact O-OG 3.3Å |
| 37 | Q | 95.9 | Very high | 95.5 | Very high | 100 Ų | 100 | 49.5 Ų | 49.5 | 47% | 0.467 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71.1 | -37.5 | 179.6 | -61.7 | -173 | 36.2 | 0 | 0 | 111.5 | D34 P35 T41 L78 | D34-Q37 HydrophobicContact CB-CG 4Å; D34-Q37 PolarHBondContact O-N 3.19Å; D34-Q37 VanDerWaalsContact O-N 3.17Å; D34-Q37 PolarHBondContact OD2-NE2 3.11Å; P35-Q37 PolarHBondContact O-N 3.05Å; Q37-T41 VanDerWaalsContact O-CB 3.22Å; Q37-T41 WeakPolarHBondContact O-CB 3.36Å; Q37-T41 PolarHBondContact O-N 3.26Å; Q37-T41 VanDerWaalsContact O-N 3.11Å; Q37-T41 PolarHBondContact O-OG1 3.18Å; Q37-L78 HydrophobicContact CB-CD1 3.66Å |
| 38 | F | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.9 | -58.6 | 179.2 | -168.5 | -78.5 | 0 | 0 | 0 | 110.7 | P35 S40 T41 L42 Y68 L71 L78 G80 S82 L131 I133 | P35-F38 PolarHBondContact O-N 3.16Å; F38-S40 VanDerWaalsContact C-N 3.35Å; F38-S40 PolarHBondContact O-N 3.21Å; F38-T41 PolarHBondContact O-N 3.46Å; F38-L42 HydrophobicContact CE1-CD2 4.41Å; F38-L42 WeakPolarHBondContact O-CB 3.11Å; F38-L42 PolarHBondContact O-N 3.13Å; F38-Y68 HydrophobicContact CZ-CD2 4.25Å; F38-Y68 HydrophobicContact CZ-CE2 4.07Å; F38-L71 HydrophobicContact CE2-CD2 4.46Å; F38-L71 HydrophobicContact CZ-CD2 4.38Å; F38-L78 HydrophobicContact CD2-CG 4.39Å; F38-G80 VanDerWaalsContact CD2-C 3.46Å; F38-G80 WeakPolarHBondContact CD2-O 3.45Å; F38-G80 WeakPolarHBondContact CE2-O 3.34Å; F38-S82 WeakPolarHBondContact CD1-OG 3.43Å; F38-S82 WeakPolarHBondContact CE1-OG 3.23Å; F38-L131 HydrophobicContact CE1-CB 4.12Å; F38-L131 WeakPolarHBondContact CE1-O 3.44Å; F38-L131 HydrophobicContact CZ-CB 4.02Å; F38-L131 WeakPolarHBondContact CZ-O 3.23Å; F38-I133 HydrophobicContact CE2-CB 4.17Å; F38-I133 HydrophobicContact CE2-CD1 3.88Å; F38-I133 HydrophobicContact CE2-CG1 3.8Å |
| 39 | S | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57 | -46.4 | -179.1 | 58.4 | 0 | 0 | 0 | 0 | 111.4 | D5 P35 S36 T41 L42 M43 | D5-S39 WeakPolarHBondContact O-CB 3.33Å; D5-S39 PolarHBondContact O-OG 3.13Å; P35-S39 PolarHBondContact O-N 3.22Å; S36-S39 PolarHBondContact O-OG 3.09Å; S39-T41 PolarHBondContact O-N 3.48Å; S39-L42 PolarHBondContact O-N 2.92Å; S39-M43 WeakPolarHBondContact O-CG 3.38Å; S39-M43 PolarHBondContact O-N 3.34Å |
| 40 | S | 97.6 | Very high | 96.4 | Very high | 31 Ų | 31 | 45.1 Ų | 45.1 | 22% | 0.217 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.1 | -36.2 | -178.5 | 72.5 | 0 | 0 | 0 | 0 | 113.2 | A7 S36 F38 K44 | A7-S40 VanDerWaalsContact CB-CA 3.49Å; S36-S40 WeakPolarHBondContact O-CB 3.42Å; S36-S40 PolarHBondContact O-N 3.15Å; S36-S40 PolarHBondContact O-OG 3.3Å; F38-S40 VanDerWaalsContact C-N 3.35Å; F38-S40 PolarHBondContact O-N 3.21Å; S40-K44 WeakPolarHBondContact O-CB 3.45Å; S40-K44 WeakPolarHBondContact O-CD 3.38Å; S40-K44 WeakPolarHBondContact O-CG 3.17Å; S40-K44 PolarHBondContact O-N 2.93Å |
| 41 | T | 97.6 | Very high | 96.7 | Very high | 38 Ų | 38 | 43.7 Ų | 43.7 | 23% | 0.233 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -71 | -39.1 | 176.6 | -54.8 | 0 | 0 | 0 | 0 | 110.5 | Q37 F38 S39 K44 T45 L71 L78 | Q37-T41 VanDerWaalsContact O-CB 3.22Å; Q37-T41 WeakPolarHBondContact O-CB 3.36Å; Q37-T41 PolarHBondContact O-N 3.26Å; Q37-T41 VanDerWaalsContact O-N 3.11Å; Q37-T41 PolarHBondContact O-OG1 3.18Å; F38-T41 PolarHBondContact O-N 3.46Å; S39-T41 PolarHBondContact O-N 3.48Å; T41-K44 PolarHBondContact O-N 2.91Å; T41-T45 WeakPolarHBondContact O-CB 3.33Å; T41-T45 PolarHBondContact O-N 2.86Å; T41-T45 PolarHBondContact O-OG1 3.1Å; T41-L71 HydrophobicContact CG2-CD1 4.04Å; T41-L71 HydrophobicContact CG2-CG 4.09Å; T41-L78 VanDerWaalsContact CB-CD2 3.45Å; T41-L78 HydrophobicContact CG2-CD2 3.76Å |
| 42 | L | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.9 | -53.1 | 175 | -175.5 | 67.9 | 0 | 0 | 0 | 110.7 | F38 S39 K44 T45 C46 L64 L71 S82 A84 L131 | F38-L42 HydrophobicContact CE1-CD2 4.41Å; F38-L42 WeakPolarHBondContact O-CB 3.11Å; F38-L42 PolarHBondContact O-N 3.13Å; S39-L42 PolarHBondContact O-N 2.92Å; L42-K44 PolarHBondContact O-N 3.19Å; L42-T45 PolarHBondContact O-N 3.35Å; L42-T45 VanDerWaalsContact O-N 3.13Å; L42-C46 PolarHBondContact O-N 3.04Å; L42-C46 PolarHBondContact O-SG 2.78Å; L42-C46 VanDerWaalsContact O-SG 3.36Å; L42-L64 HydrophobicContact CD1-CD1 4.31Å; L42-L64 HydrophobicContact CD2-CD1 4.12Å; L42-L71 HydrophobicContact CB-CD2 3.98Å; L42-L71 HydrophobicContact CD1-CD2 4.15Å; L42-S82 WeakPolarHBondContact CD2-OG 3.32Å; L42-A84 HydrophobicContact CD2-CB 4.06Å; L42-L131 HydrophobicContact CD1-CD1 4.38Å; L42-L131 HydrophobicContact CD2-CD1 4.15Å |
| 43 | M | 98.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.9 | -41.1 | 179.7 | -68.3 | -58.8 | 96.2 | 0 | 0 | 113.1 | A7 F9 A22 S39 T45 C46 E47 I86 | A7-M43 HydrophobicContact CB-CB 4.16Å; A7-M43 HydrophobicContact CB-CG 3.81Å; F9-M43 HydrophobicContact CD1-CB 4.02Å; F9-M43 HydrophobicContact CD1-CG 4.38Å; F9-M43 WeakPolarHBondContact CD1-O 3.26Å; F9-M43 HydrophobicContact CD1-SD 3.62Å; F9-M43 HydrophobicContact CE1-SD 3.85Å; A22-M43 HydrophobicContact CB-CE 3.71Å; A22-M43 HydrophobicContact CB-CG 3.88Å; A22-M43 HydrophobicContact CB-SD 3.99Å; S39-M43 WeakPolarHBondContact O-CG 3.38Å; S39-M43 PolarHBondContact O-N 3.34Å; M43-T45 VanDerWaalsContact C-N 3.28Å; M43-T45 PolarHBondContact O-N 3.23Å; M43-C46 PolarHBondContact O-N 2.85Å; M43-E47 WeakPolarHBondContact O-CB 3.44Å; M43-E47 PolarHBondContact O-N 2.92Å; M43-I86 HydrophobicContact CE-CD1 4.08Å |
| 44 | K | 98.6 | Very high | 97.6 | Very high | 130 Ų | 130 | 42.5 Ų | 42.5 | 57% | 0.565 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -62.3 | -36 | 174.1 | -75.4 | 167.2 | -173.1 | 159.4 | 0 | 112.3 | S40 T41 L42 R48 | S40-K44 WeakPolarHBondContact O-CB 3.45Å; S40-K44 WeakPolarHBondContact O-CD 3.38Å; S40-K44 WeakPolarHBondContact O-CG 3.17Å; S40-K44 PolarHBondContact O-N 2.93Å; T41-K44 PolarHBondContact O-N 2.91Å; L42-K44 PolarHBondContact O-N 3.19Å; K44-R48 WeakPolarHBondContact O-CB 3.28Å; K44-R48 PolarHBondContact O-N 2.8Å |
| 45 | T | 98.5 | Very high | 97.7 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 9% | 0.092 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.7 | -44.5 | 178.8 | -55 | 0 | 0 | 0 | 0 | 110.4 | T41 L42 M43 E47 R48 L49 E70 L71 | T41-T45 WeakPolarHBondContact O-CB 3.33Å; T41-T45 PolarHBondContact O-N 2.86Å; T41-T45 PolarHBondContact O-OG1 3.1Å; L42-T45 PolarHBondContact O-N 3.35Å; L42-T45 VanDerWaalsContact O-N 3.13Å; M43-T45 VanDerWaalsContact C-N 3.28Å; M43-T45 PolarHBondContact O-N 3.23Å; T45-E47 PolarHBondContact O-N 2.8Å; T45-R48 PolarHBondContact O-N 2.94Å; T45-L49 WeakPolarHBondContact O-CG 3.34Å; T45-L49 PolarHBondContact O-N 3.28Å; T45-E70 HydrophobicContact CG2-CB 4.24Å; T45-E70 WeakPolarHBondContact CG2-OE2 3.35Å; T45-L71 HydrophobicContact CG2-CD1 4.34Å |
| 46 | C | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.3 | -49.7 | 172.1 | -67.3 | 0 | 0 | 0 | 0 | 111.4 | F9 L42 M43 R48 L49 V50 V63 S67 | F9-C46 HydrophobicContact CD1-CB 4.05Å; F9-C46 HydrophobicContact CE1-CB 3.35Å; F9-C46 HydrophobicContact CE2-CB 4.44Å; F9-C46 HydrophobicContact CZ-CB 3.59Å; L42-C46 PolarHBondContact O-N 3.04Å; L42-C46 PolarHBondContact O-SG 2.78Å; L42-C46 VanDerWaalsContact O-SG 3.36Å; M43-C46 PolarHBondContact O-N 2.85Å; C46-R48 VanDerWaalsContact C-N 3.3Å; C46-R48 PolarHBondContact O-N 2.88Å; C46-L49 PolarHBondContact O-N 3.36Å; C46-V50 WeakPolarHBondContact O-CG2 3.37Å; C46-V50 PolarHBondContact O-N 2.82Å; C46-V63 HydrophobicContact CB-CG1 3.88Å; C46-S67 WeakPolarHBondContact CA-OG 3.28Å; C46-S67 PolarHBondContact N-OG 3.29Å; C46-S67 VanDerWaalsContact N-OG 3.14Å; C46-S67 PolarHBondContact SG-OG 3.41Å |
| 47 | E | 98.8 | Very high | 97.9 | Very high | 53 Ų | 53 | 45.8 Ų | 45.8 | 25% | 0.248 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -56.5 | -45.3 | 178.5 | -165.4 | -166.8 | -166.4 | 0 | 0 | 111.7 | F9 A11 M43 T45 V50 K51 | F9-E47 HydrophobicContact CB-CB 3.8Å; F9-E47 HydrophobicContact CB-CG 3.98Å; F9-E47 HydrophobicContact CD2-CB 3.72Å; F9-E47 HydrophobicContact CD2-CG 3.88Å; F9-E47 HydrophobicContact CE2-CB 4.49Å; F9-E47 HydrophobicContact CG-CB 3.81Å; F9-E47 HydrophobicContact CG-CG 4.23Å; A11-E47 HydrophobicContact CB-CG 4Å; M43-E47 WeakPolarHBondContact O-CB 3.44Å; M43-E47 PolarHBondContact O-N 2.92Å; T45-E47 PolarHBondContact O-N 2.8Å; E47-V50 PolarHBondContact O-N 2.87Å; E47-K51 HydrophobicContact CG-CD 4.27Å; E47-K51 WeakPolarHBondContact O-CG 3.42Å; E47-K51 PolarHBondContact O-N 2.73Å; E47-K51 VanDerWaalsContact OE1-CE 3.25Å; E47-K51 WeakPolarHBondContact OE1-CE 3.5Å; E47-K51 IonicContact OE1-NZ 3.73Å; E47-K51 PolarHBondContact OE1-NZ 2.83Å; E47-K51 IonicContact OE2-NZ 2.92Å |
| 48 | R | 98.5 | Very high | 98 | Very high | 74 Ų | 74 | 44.4 Ų | 44.4 | 28% | 0.279 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.2 | -47 | 178.7 | -173.6 | -173 | 60.6 | 64 | 9.6 | 111.5 | K44 T45 C46 V50 K51 E52 E70 | K44-R48 WeakPolarHBondContact O-CB 3.28Å; K44-R48 PolarHBondContact O-N 2.8Å; T45-R48 PolarHBondContact O-N 2.94Å; C46-R48 VanDerWaalsContact C-N 3.3Å; C46-R48 PolarHBondContact O-N 2.88Å; R48-V50 VanDerWaalsContact C-N 3.29Å; R48-V50 PolarHBondContact O-N 3.04Å; R48-K51 PolarHBondContact O-N 3.43Å; R48-E52 WeakPolarHBondContact CD-OE1 3.17Å; R48-E52 HydrophobicContact CG-CG 4.43Å; R48-E52 WeakPolarHBondContact CG-OE1 3.42Å; R48-E52 IonicContact CZ-OE1 3.35Å; R48-E52 IonicContact NH1-OE1 3.55Å; R48-E52 PolarHBondContact NH1-OE1 2.83Å; R48-E52 IonicContact NH1-OE2 2.76Å; R48-E52 PolarHBondContact NH1-OE2 3.07Å; R48-E52 WeakPolarHBondContact O-CB 3.34Å; R48-E52 WeakPolarHBondContact O-CG 3.2Å; R48-E52 PolarHBondContact O-N 2.75Å; R48-E70 IonicContact CZ-OE2 3.95Å; R48-E70 IonicContact NH2-OE1 2.82Å; R48-E70 PolarHBondContact NH2-OE1 2.91Å; R48-E70 IonicContact NH2-OE2 2.88Å; R48-E70 PolarHBondContact NH2-OE2 2.9Å |
| 49 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.8 | -41.6 | 177.2 | -70.1 | 176.1 | 0 | 0 | 0 | 111.6 | T45 C46 G53 R54 T66 S67 | T45-L49 WeakPolarHBondContact O-CG 3.34Å; T45-L49 PolarHBondContact O-N 3.28Å; C46-L49 PolarHBondContact O-N 3.36Å; L49-G53 PolarHBondContact O-N 3.08Å; L49-R54 HydrophobicContact CD2-CB 3.9Å; L49-R54 PolarHBondContact O-N 2.81Å; L49-T66 HydrophobicContact CD1-CG2 3.65Å; L49-T66 HydrophobicContact CD2-CG2 4.05Å; L49-S67 WeakPolarHBondContact CD1-OG 3.4Å |
| 50 | V | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.9 | -50.6 | 176.4 | 174.3 | 0 | 0 | 0 | 0 | 111 | F9 A11 H13 V18 C46 E47 R48 E52 G53 F55 | F9-V50 HydrophobicContact CE2-CG2 4.36Å; A11-V50 HydrophobicContact CB-CB 3.84Å; A11-V50 HydrophobicContact CB-CG1 3.52Å; H13-V50 HydrophobicContact CB-CG1 4.11Å; H13-V50 VanDerWaalsContact CB-O 3.25Å; H13-V50 WeakPolarHBondContact CB-O 3.43Å; H13-V50 PolarHBondContact CD2-O 2.91Å; H13-V50 VanDerWaalsContact CD2-O 3.25Å; V18-V50 HydrophobicContact CB-CG1 4.03Å; V18-V50 HydrophobicContact CB-CG2 3.96Å; V18-V50 HydrophobicContact CG1-CG2 3.96Å; V18-V50 HydrophobicContact CG2-CB 4.44Å; V18-V50 HydrophobicContact CG2-CG1 3.65Å; V18-V50 HydrophobicContact CG2-CG2 3.86Å; C46-V50 WeakPolarHBondContact O-CG2 3.37Å; C46-V50 PolarHBondContact O-N 2.82Å; E47-V50 PolarHBondContact O-N 2.87Å; R48-V50 VanDerWaalsContact C-N 3.29Å; R48-V50 PolarHBondContact O-N 3.04Å; V50-E52 VanDerWaalsContact C-N 3.28Å; V50-E52 PolarHBondContact O-N 2.59Å; V50-G53 PolarHBondContact O-N 3.19Å; V50-F55 HydrophobicContact CB-CD1 4.33Å; V50-F55 HydrophobicContact CB-CE1 4.21Å; V50-F55 HydrophobicContact CG1-CD1 4.42Å; V50-F55 HydrophobicContact CG1-CE1 3.81Å; V50-F55 HydrophobicContact CG1-CZ 3.91Å; V50-F55 HydrophobicContact CG2-CD1 4.31Å; V50-F55 HydrophobicContact CG2-CE1 4.44Å; V50-F55 HydrophobicContact CG2-CG 4.34Å; V50-F55 WeakPolarHBondContact O-CE1 3.16Å |
| 51 | K | 98.3 | Very high | 98.1 | Very high | 117 Ų | 117 | 47.9 Ų | 47.9 | 51% | 0.509 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.7 | -34.4 | -179.7 | -74.6 | 177.4 | -178.8 | 169.9 | 0 | 113.1 | A11 E47 R48 G53 | A11-K51 HydrophobicContact CB-CG 4.4Å; E47-K51 HydrophobicContact CG-CD 4.27Å; E47-K51 WeakPolarHBondContact O-CG 3.42Å; E47-K51 PolarHBondContact O-N 2.73Å; E47-K51 VanDerWaalsContact OE1-CE 3.25Å; E47-K51 WeakPolarHBondContact OE1-CE 3.5Å; E47-K51 IonicContact OE1-NZ 3.73Å; E47-K51 PolarHBondContact OE1-NZ 2.83Å; E47-K51 IonicContact OE2-NZ 2.92Å; R48-K51 PolarHBondContact O-N 3.43Å; K51-G53 VanDerWaalsContact C-N 3.27Å; K51-G53 PolarHBondContact O-N 3.2Å |
| 52 | E | 97.9 | Very high | 98.1 | Very high | 100 Ų | 100 | 46.9 Ų | 46.9 | 47% | 0.467 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -6.6 | 175.9 | -70.4 | 175.5 | -165.2 | 0 | 0 | 113.4 | R48 V50 R54 | R48-E52 WeakPolarHBondContact CD-OE1 3.17Å; R48-E52 HydrophobicContact CG-CG 4.43Å; R48-E52 WeakPolarHBondContact CG-OE1 3.42Å; R48-E52 IonicContact CZ-OE1 3.35Å; R48-E52 IonicContact NH1-OE1 3.55Å; R48-E52 PolarHBondContact NH1-OE1 2.83Å; R48-E52 IonicContact NH1-OE2 2.76Å; R48-E52 PolarHBondContact NH1-OE2 3.07Å; R48-E52 WeakPolarHBondContact O-CB 3.34Å; R48-E52 WeakPolarHBondContact O-CG 3.2Å; R48-E52 PolarHBondContact O-N 2.75Å; V50-E52 VanDerWaalsContact C-N 3.28Å; V50-E52 PolarHBondContact O-N 2.59Å; E52-R54 VanDerWaalsContact C-N 3.26Å; E52-R54 HydrophobicContact CB-CG 3.97Å; E52-R54 PolarHBondContact O-N 2.7Å; E52-R54 WeakPolarHBondContact OE2-CD 3.28Å; E52-R54 IonicContact OE2-NH1 3.72Å |
| 53 | G | 97.2 | Very high | 98.1 | Very high | 30 Ų | 30 | 47 Ų | 47 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 21.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H13 L49 V50 K51 F55 | H13-G53 VanDerWaalsContact CD2-CA 3.45Å; H13-G53 WeakPolarHBondContact CD2-CA 3.41Å; H13-G53 PolarHBondContact CD2-N 2.79Å; H13-G53 WeakPolarHBondContact NE2-CA 3.26Å; L49-G53 PolarHBondContact O-N 3.08Å; V50-G53 PolarHBondContact O-N 3.19Å; K51-G53 VanDerWaalsContact C-N 3.27Å; K51-G53 PolarHBondContact O-N 3.2Å; G53-F55 PolarHBondContact O-N 2.87Å |
| 54 | R | 97.4 | Very high | 98.1 | Very high | 133 Ų | 133 | 46.8 Ų | 46.8 | 50% | 0.502 | 24% | 0.24 | S | C | . | . | trans | -90.7 | 46.8 | 179.2 | -64.4 | -178 | 66 | -159.8 | -9.8 | 111.2 | L49 E52 E70 | L49-R54 HydrophobicContact CD2-CB 3.9Å; L49-R54 PolarHBondContact O-N 2.81Å; E52-R54 VanDerWaalsContact C-N 3.26Å; E52-R54 HydrophobicContact CB-CG 3.97Å; E52-R54 PolarHBondContact O-N 2.7Å; E52-R54 WeakPolarHBondContact OE2-CD 3.28Å; E52-R54 IonicContact OE2-NH1 3.72Å; R54-E70 IonicContact NH1-OE1 3.26Å; R54-E70 IonicContact NH2-OE1 2.96Å | ||
| 55 | F | 97.8 | Very high | 98.1 | Very high | 27 Ų | 27 | 41.6 Ų | 41.6 | 12% | 0.118 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -150.8 | 164 | 177.5 | 76.4 | -67.8 | 0 | 0 | 0 | 111 | H13 A16 V18 V50 G53 P57 V63 | H13-F55 HydrophobicContact CB-CE1 3.87Å; H13-F55 HydrophobicContact CB-CZ 4.16Å; H13-F55 AromaticContact CG-CE1 3.95Å; A16-F55 HydrophobicContact CB-CE2 4.1Å; A16-F55 HydrophobicContact CB-CZ 3.97Å; V18-F55 HydrophobicContact CG2-CE2 3.86Å; V18-F55 HydrophobicContact CG2-CZ 4.14Å; V50-F55 HydrophobicContact CB-CD1 4.33Å; V50-F55 HydrophobicContact CB-CE1 4.21Å; V50-F55 HydrophobicContact CG1-CD1 4.42Å; V50-F55 HydrophobicContact CG1-CE1 3.81Å; V50-F55 HydrophobicContact CG1-CZ 3.91Å; V50-F55 HydrophobicContact CG2-CD1 4.31Å; V50-F55 HydrophobicContact CG2-CE1 4.44Å; V50-F55 HydrophobicContact CG2-CG 4.34Å; V50-F55 WeakPolarHBondContact O-CE1 3.16Å; G53-F55 PolarHBondContact O-N 2.87Å; F55-P57 HydrophobicContact CE2-CB 4.37Å; F55-P57 HydrophobicContact CE2-CG 3.96Å; F55-P57 HydrophobicContact CZ-CG 4.42Å; F55-V63 HydrophobicContact CB-CG2 3.57Å; F55-V63 HydrophobicContact CD2-CG2 4.18Å; F55-V63 HydrophobicContact CG-CG2 4.23Å |
| 56 | V | 97.5 | Very high | 98.1 | Very high | 82 Ų | 82 | 43.4 Ų | 43.4 | 50% | 0.497 | 23% | 0.23 | S | C | . | . | trans | -112.7 | 121.2 | 172.3 | 178.6 | 0 | 0 | 0 | 0 | 107.2 | S58 N59 | V56-S58 WeakPolarHBondContact CG1-OG 3.37Å; V56-S58 PolarHBondContact O-N 3.22Å; V56-N59 HydrophobicContact CB-CB 4.2Å; V56-N59 HydrophobicContact CG1-CB 4.44Å; V56-N59 CarbonylContact O-C 3.49Å; V56-N59 PolarHBondContact O-N 3.3Å | ||
| 57 | P | 97.3 | Very high | 98.1 | Very high | 29 Ų | 29 | 43.4 Ų | 43.4 | 19% | 0.188 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -37.6 | -175.2 | -29.9 | 35.8 | 0 | 0 | 0 | 114.6 | A16 F55 N59 V88 D90 H97 | A16-P57 HydrophobicContact CB-CB 4.22Å; A16-P57 HydrophobicContact CB-CG 4.13Å; F55-P57 HydrophobicContact CE2-CB 4.37Å; F55-P57 HydrophobicContact CE2-CG 3.96Å; F55-P57 HydrophobicContact CZ-CG 4.42Å; P57-N59 PolarHBondContact O-N 2.95Å; P57-V88 HydrophobicContact CB-CG1 4.03Å; P57-V88 WeakPolarHBondContact O-CG1 3.38Å; P57-D90 HydrophobicContact CB-CB 3.98Å; P57-H97 PolarHBondContact O-CD2 2.98Å |
| 58 | S | 97.6 | Very high | 98 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 50% | 0.497 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 2 | 177.5 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | V56 | V56-S58 WeakPolarHBondContact CG1-OG 3.37Å; V56-S58 PolarHBondContact O-N 3.22Å |
| 59 | N | 97.9 | Very high | 98 | Very high | 75 Ų | 75 | 43.3 Ų | 43.3 | 40% | 0.401 | 23% | 0.228 | S | C | . | . | trans | -133.1 | 73.6 | 178.7 | -175.3 | 15.3 | 0 | 0 | 0 | 112.2 | V56 P57 V61 G62 | V56-N59 HydrophobicContact CB-CB 4.2Å; V56-N59 HydrophobicContact CG1-CB 4.44Å; V56-N59 CarbonylContact O-C 3.49Å; V56-N59 PolarHBondContact O-N 3.3Å; P57-N59 PolarHBondContact O-N 2.95Å; N59-V61 VanDerWaalsContact C-N 3.26Å; N59-V61 PolarHBondContact O-N 3.16Å; N59-G62 PolarHBondContact O-N 2.89Å; N59-G62 VanDerWaalsContact O-N 3.1Å; N59-G62 PolarHBondContact OD1-N 3.17Å | ||
| 60 | P | 98.2 | Very high | 97.8 | Very high | 7 Ų | 7 | 45.9 Ų | 45.9 | 5% | 0.045 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.8 | -32.5 | 174.5 | -19 | 29.8 | 0 | 0 | 0 | 113.3 | G62 V63 L64 I86 V88 H97 A99 | P60-G62 PolarHBondContact O-N 3.05Å; P60-V63 WeakPolarHBondContact O-CB 3.48Å; P60-V63 PolarHBondContact O-N 3.33Å; P60-L64 PolarHBondContact O-N 2.96Å; P60-I86 HydrophobicContact CB-CB 4.28Å; P60-I86 HydrophobicContact CB-CG2 4.06Å; P60-V88 HydrophobicContact CB-CG2 4Å; P60-V88 HydrophobicContact CG-CB 4.26Å; P60-V88 HydrophobicContact CG-CG2 3.8Å; P60-H97 VanDerWaalsContact CG-C 3.46Å; P60-H97 HydrophobicContact CG-CB 3.54Å; P60-H97 WeakPolarHBondContact CG-O 3.34Å; P60-A99 HydrophobicContact CB-CB 3.87Å |
| 61 | V | 98.5 | Very high | 97.7 | Very high | 21 Ų | 21 | 46 Ų | 46 | 13% | 0.127 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.6 | -42 | 173.3 | 177.8 | 0 | 0 | 0 | 0 | 110 | N59 V63 L64 T65 A99 A150 | N59-V61 VanDerWaalsContact C-N 3.26Å; N59-V61 PolarHBondContact O-N 3.16Å; V61-V63 VanDerWaalsContact C-N 3.26Å; V61-V63 PolarHBondContact O-N 2.81Å; V61-L64 WeakPolarHBondContact O-CB 3.39Å; V61-L64 PolarHBondContact O-N 2.92Å; V61-T65 WeakPolarHBondContact O-CB 3.44Å; V61-T65 PolarHBondContact O-N 2.99Å; V61-T65 PolarHBondContact O-OG1 2.99Å; V61-A99 HydrophobicContact CB-CB 4.48Å; V61-A99 HydrophobicContact CG2-CB 3.67Å; V61-A150 HydrophobicContact CG2-CB 4.49Å |
| 62 | G | 98.3 | Very high | 97.4 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 19% | 0.186 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.1 | -31.7 | 176 | 0 | 0 | 0 | 0 | 0 | 114.7 | N59 P60 T66 | N59-G62 PolarHBondContact O-N 2.89Å; N59-G62 VanDerWaalsContact O-N 3.1Å; N59-G62 PolarHBondContact OD1-N 3.17Å; P60-G62 PolarHBondContact O-N 3.05Å; G62-T66 VanDerWaalsContact O-CB 3.32Å; G62-T66 WeakPolarHBondContact O-CB 3.44Å; G62-T66 PolarHBondContact O-N 3.42Å; G62-T66 VanDerWaalsContact O-N 3.08Å; G62-T66 PolarHBondContact O-OG1 3.45Å |
| 63 | V | 98.4 | Very high | 97.2 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67 | -49.7 | 172.5 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | C46 F55 P60 V61 T66 S67 | C46-V63 HydrophobicContact CB-CG1 3.88Å; F55-V63 HydrophobicContact CB-CG2 3.57Å; F55-V63 HydrophobicContact CD2-CG2 4.18Å; F55-V63 HydrophobicContact CG-CG2 4.23Å; P60-V63 WeakPolarHBondContact O-CB 3.48Å; P60-V63 PolarHBondContact O-N 3.33Å; V61-V63 VanDerWaalsContact C-N 3.26Å; V61-V63 PolarHBondContact O-N 2.81Å; V63-T66 PolarHBondContact O-N 3.11Å; V63-S67 WeakPolarHBondContact O-CB 3.27Å; V63-S67 PolarHBondContact O-N 2.81Å; V63-S67 PolarHBondContact O-OG 2.83Å; V63-S67 VanDerWaalsContact O-OG 3.06Å |
| 64 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -49 | 179.6 | -175.2 | 61.9 | 0 | 0 | 0 | 111.7 | L42 P60 V61 T66 S67 Y68 A84 L101 L131 P147 A150 | L42-L64 HydrophobicContact CD1-CD1 4.31Å; L42-L64 HydrophobicContact CD2-CD1 4.12Å; P60-L64 PolarHBondContact O-N 2.96Å; V61-L64 WeakPolarHBondContact O-CB 3.39Å; V61-L64 PolarHBondContact O-N 2.92Å; L64-T66 PolarHBondContact O-N 3.22Å; L64-S67 PolarHBondContact O-N 3.4Å; L64-Y68 WeakPolarHBondContact O-CB 3.3Å; L64-Y68 PolarHBondContact O-N 2.86Å; L64-A84 HydrophobicContact CD1-CB 3.5Å; L64-A84 VanDerWaalsContact CD1-CB 3.5Å; L64-A84 HydrophobicContact CD2-CB 4.21Å; L64-L101 HydrophobicContact CD2-CB 4.27Å; L64-L131 HydrophobicContact CD1-CD1 3.63Å; L64-L131 HydrophobicContact CD2-CD1 4.41Å; L64-L131 HydrophobicContact CG-CD1 3.99Å; L64-P147 HydrophobicContact CD2-CB 4.39Å; L64-P147 HydrophobicContact CG-CB 4.26Å; L64-A150 HydrophobicContact CD2-CB 4.4Å |
| 65 | T | 98.5 | Very high | 96 | Very high | 21 Ų | 21 | 52.8 Ų | 52.8 | 13% | 0.129 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.4 | -52.1 | 177 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | V61 S67 Y68 Y69 P147 E148 | V61-T65 WeakPolarHBondContact O-CB 3.44Å; V61-T65 PolarHBondContact O-N 2.99Å; V61-T65 PolarHBondContact O-OG1 2.99Å; T65-S67 PolarHBondContact O-N 3.4Å; T65-Y68 PolarHBondContact O-N 3.29Å; T65-Y69 HydrophobicContact CG2-CD2 3.57Å; T65-Y69 HydrophobicContact CG2-CE2 3.4Å; T65-Y69 WeakPolarHBondContact O-CD2 3.4Å; T65-Y69 PolarHBondContact O-N 3.44Å; T65-P147 WeakPolarHBondContact OG1-CB 3.36Å; T65-E148 WeakPolarHBondContact CG2-OE1 3.44Å; T65-E148 PolarHBondContact OG1-OE1 2.78Å |
| 66 | T | 98.3 | Very high | 95.3 | Very high | 52 Ų | 52 | 57.1 Ų | 57.1 | 32% | 0.319 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.1 | -43.6 | -178 | -55.3 | 0 | 0 | 0 | 0 | 111.1 | L49 G62 V63 L64 Y69 E70 | L49-T66 HydrophobicContact CD1-CG2 3.65Å; L49-T66 HydrophobicContact CD2-CG2 4.05Å; G62-T66 VanDerWaalsContact O-CB 3.32Å; G62-T66 WeakPolarHBondContact O-CB 3.44Å; G62-T66 PolarHBondContact O-N 3.42Å; G62-T66 VanDerWaalsContact O-N 3.08Å; G62-T66 PolarHBondContact O-OG1 3.45Å; V63-T66 PolarHBondContact O-N 3.11Å; L64-T66 PolarHBondContact O-N 3.22Å; T66-Y69 PolarHBondContact O-N 3.15Å; T66-E70 WeakPolarHBondContact O-CG 3.46Å; T66-E70 PolarHBondContact O-N 2.92Å |
| 67 | S | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 176.8 | -66.5 | 0 | 0 | 0 | 0 | 111.8 | C46 L49 V63 L64 T65 Y69 E70 L71 | C46-S67 WeakPolarHBondContact CA-OG 3.28Å; C46-S67 PolarHBondContact N-OG 3.29Å; C46-S67 VanDerWaalsContact N-OG 3.14Å; C46-S67 PolarHBondContact SG-OG 3.41Å; L49-S67 WeakPolarHBondContact CD1-OG 3.4Å; V63-S67 WeakPolarHBondContact O-CB 3.27Å; V63-S67 PolarHBondContact O-N 2.81Å; V63-S67 PolarHBondContact O-OG 2.83Å; V63-S67 VanDerWaalsContact O-OG 3.06Å; L64-S67 PolarHBondContact O-N 3.4Å; T65-S67 PolarHBondContact O-N 3.4Å; S67-Y69 PolarHBondContact O-N 2.73Å; S67-E70 PolarHBondContact O-N 3.36Å; S67-L71 WeakPolarHBondContact O-CD1 3.23Å; S67-L71 PolarHBondContact O-N 3.08Å |
| 68 | Y | 97.9 | Very high | 94.4 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 6% | 0.059 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.1 | -43.1 | -179.4 | -179.5 | -127.8 | 0 | 0 | 0 | 112.8 | F38 L64 T65 E70 L71 L72 L131 S132 I133 S144 P147 | F38-Y68 HydrophobicContact CZ-CD2 4.25Å; F38-Y68 HydrophobicContact CZ-CE2 4.07Å; L64-Y68 WeakPolarHBondContact O-CB 3.3Å; L64-Y68 PolarHBondContact O-N 2.86Å; T65-Y68 PolarHBondContact O-N 3.29Å; Y68-E70 VanDerWaalsContact C-N 3.33Å; Y68-E70 PolarHBondContact O-N 3.13Å; Y68-L71 WeakPolarHBondContact O-CB 3.31Å; Y68-L71 PolarHBondContact O-N 2.56Å; Y68-L72 HydrophobicContact CD1-CD1 4.05Å; Y68-L72 HydrophobicContact CE1-CD1 3.76Å; Y68-L72 HydrophobicContact CE2-CD1 4.35Å; Y68-L72 HydrophobicContact CE2-CG 4.25Å; Y68-L72 PolarHBondContact O-N 3.12Å; Y68-L131 HydrophobicContact CD1-CD2 4.05Å; Y68-L131 HydrophobicContact CD2-CB 3.9Å; Y68-L131 HydrophobicContact CD2-CD1 3.98Å; Y68-L131 HydrophobicContact CD2-CD2 4.46Å; Y68-L131 HydrophobicContact CD2-CG 4.34Å; Y68-L131 HydrophobicContact CE1-CD2 4.13Å; Y68-L131 HydrophobicContact CE2-CB 3.82Å; Y68-L131 HydrophobicContact CG-CB 4.45Å; Y68-L131 HydrophobicContact CG-CD1 3.91Å; Y68-L131 HydrophobicContact CG-CD2 4.2Å; Y68-L131 HydrophobicContact CG-CG 4.42Å; Y68-S132 PolarHBondContact OH-N 3.24Å; Y68-S132 PolarHBondContact OH-O 3.09Å; Y68-I133 HydrophobicContact CE2-CG1 4.22Å; Y68-S144 PolarHBondContact OH-OG 3.42Å; Y68-P147 HydrophobicContact CD1-CG 3.57Å; Y68-P147 HydrophobicContact CE1-CG 4.36Å; Y68-P147 HydrophobicContact CG-CG 4.22Å |
| 69 | Y | 97 | Very high | 94.3 | Very high | 111 Ų | 111 | 55.3 Ų | 55.3 | 44% | 0.435 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.8 | -31.8 | 176.2 | -77 | -57.9 | 0 | 0 | 0 | 113.4 | T65 T66 S67 L72 Q73 | T65-Y69 HydrophobicContact CG2-CD2 3.57Å; T65-Y69 HydrophobicContact CG2-CE2 3.4Å; T65-Y69 WeakPolarHBondContact O-CD2 3.4Å; T65-Y69 PolarHBondContact O-N 3.44Å; T66-Y69 PolarHBondContact O-N 3.15Å; S67-Y69 PolarHBondContact O-N 2.73Å; Y69-L72 HydrophobicContact CD1-CD1 3.72Å; Y69-L72 HydrophobicContact CE1-CD1 4.12Å; Y69-L72 PolarHBondContact O-N 3.08Å; Y69-Q73 WeakPolarHBondContact O-CG 3.49Å; Y69-Q73 PolarHBondContact O-N 3.02Å |
| 70 | E | 96.2 | Very high | 94.2 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 25% | 0.248 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.8 | -41 | 170.7 | -74.8 | -167.7 | -169.9 | 0 | 0 | 111.6 | T45 R48 R54 T66 S67 Y68 L72 Q73 N74 | T45-E70 HydrophobicContact CG2-CB 4.24Å; T45-E70 WeakPolarHBondContact CG2-OE2 3.35Å; R48-E70 IonicContact CZ-OE2 3.95Å; R48-E70 IonicContact NH2-OE1 2.82Å; R48-E70 PolarHBondContact NH2-OE1 2.91Å; R48-E70 IonicContact NH2-OE2 2.88Å; R48-E70 PolarHBondContact NH2-OE2 2.9Å; R54-E70 IonicContact NH1-OE1 3.26Å; R54-E70 IonicContact NH2-OE1 2.96Å; T66-E70 WeakPolarHBondContact O-CG 3.46Å; T66-E70 PolarHBondContact O-N 2.92Å; S67-E70 PolarHBondContact O-N 3.36Å; Y68-E70 VanDerWaalsContact C-N 3.33Å; Y68-E70 PolarHBondContact O-N 3.13Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 3.41Å; E70-Q73 PolarHBondContact O-N 3.09Å; E70-Q73 VanDerWaalsContact O-N 3.12Å; E70-N74 PolarHBondContact O-N 2.95Å |
| 71 | L | 95.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 175 | -90.7 | 66.5 | 0 | 0 | 0 | 111.8 | F38 T41 L42 T45 S67 Y68 Q73 N74 L78 I133 | F38-L71 HydrophobicContact CE2-CD2 4.46Å; F38-L71 HydrophobicContact CZ-CD2 4.38Å; T41-L71 HydrophobicContact CG2-CD1 4.04Å; T41-L71 HydrophobicContact CG2-CG 4.09Å; L42-L71 HydrophobicContact CB-CD2 3.98Å; L42-L71 HydrophobicContact CD1-CD2 4.15Å; T45-L71 HydrophobicContact CG2-CD1 4.34Å; S67-L71 WeakPolarHBondContact O-CD1 3.23Å; S67-L71 PolarHBondContact O-N 3.08Å; Y68-L71 WeakPolarHBondContact O-CB 3.31Å; Y68-L71 PolarHBondContact O-N 2.56Å; L71-Q73 PolarHBondContact O-N 3.31Å; L71-N74 WeakPolarHBondContact O-CB 3.36Å; L71-N74 PolarHBondContact O-N 2.89Å; L71-L78 HydrophobicContact CD2-CD2 3.85Å; L71-L78 HydrophobicContact CG-CD2 4.04Å; L71-I133 HydrophobicContact CB-CD1 3.98Å |
| 72 | L | 93.3 | Very high | 94.2 | Very high | 79 Ų | 79 | 50.4 Ų | 50.4 | 41% | 0.414 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61 | -26.1 | 176.5 | -76.7 | 166.9 | 0 | 0 | 0 | 113.3 | Y68 Y69 E70 I133 | Y68-L72 HydrophobicContact CD1-CD1 4.05Å; Y68-L72 HydrophobicContact CE1-CD1 3.76Å; Y68-L72 HydrophobicContact CE2-CD1 4.35Å; Y68-L72 HydrophobicContact CE2-CG 4.25Å; Y68-L72 PolarHBondContact O-N 3.12Å; Y69-L72 HydrophobicContact CD1-CD1 3.72Å; Y69-L72 HydrophobicContact CE1-CD1 4.12Å; Y69-L72 PolarHBondContact O-N 3.08Å; E70-L72 VanDerWaalsContact C-N 3.34Å; E70-L72 PolarHBondContact O-N 3.41Å; L72-I133 HydrophobicContact CD2-CD1 4.16Å; L72-I133 HydrophobicContact CD2-CG1 3.7Å; L72-I133 HydrophobicContact CG-CD1 4.36Å; L72-I133 HydrophobicContact CG-CG1 4.32Å |
| 73 | Q | 92 | Very high | 94.2 | Very high | 157 Ų | 157 | 49.5 Ų | 49.5 | 73% | 0.734 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 2.4 | -178.3 | -67 | 175.1 | 16.5 | 0 | 0 | 113.3 | Y69 E70 L71 K75 | Y69-Q73 WeakPolarHBondContact O-CG 3.49Å; Y69-Q73 PolarHBondContact O-N 3.02Å; E70-Q73 PolarHBondContact O-N 3.09Å; E70-Q73 VanDerWaalsContact O-N 3.12Å; L71-Q73 PolarHBondContact O-N 3.31Å; Q73-K75 PolarHBondContact O-N 3.28Å |
| 74 | N | 87.2 | Confident | 94.2 | Very high | 74 Ų | 74 | 49.5 Ų | 49.5 | 40% | 0.396 | 25% | 0.25 | S | C | . | . | trans | -61.2 | 136.4 | 178 | -82.3 | -23.3 | 0 | 0 | 0 | 111.6 | E70 L71 V76 | E70-N74 PolarHBondContact O-N 2.95Å; L71-N74 WeakPolarHBondContact O-CB 3.36Å; L71-N74 PolarHBondContact O-N 2.89Å; N74-V76 WeakPolarHBondContact CB-O 3.5Å; N74-V76 PolarHBondContact O-N 3.26Å | ||
| 75 | K | 82.1 | Confident | 94.2 | Very high | 213 Ų | 213 | 49.5 Ų | 49.5 | 93% | 0.926 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -60 | -33.4 | 179.3 | -67.6 | -175.3 | 179.8 | 179.6 | 0 | 112.9 | Q73 | Q73-K75 PolarHBondContact O-N 3.28Š|
| 76 | V | 84.6 | Confident | 94.3 | Very high | 119 Ų | 119 | 48.5 Ų | 48.5 | 72% | 0.721 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -104.1 | 115.6 | 171.8 | 179.8 | 0 | 0 | 0 | 0 | 106.1 | N74 L78 | N74-V76 WeakPolarHBondContact CB-O 3.5Å; N74-V76 PolarHBondContact O-N 3.26Å; V76-L78 PolarHBondContact O-N 2.9Å |
| 77 | P | 84.5 | Confident | 94.3 | Very high | 80 Ų | 80 | 46 Ų | 46 | 52% | 0.519 | 23% | 0.228 | S | C | . | . | trans | -57.9 | 121.8 | -180 | -26.1 | 34.8 | 0 | 0 | 0 | 110.9 | L79 | P77-L79 HydrophobicContact CB-CD2 4.1Å; P77-L79 PolarHBondContact O-N 2.95Å | ||
| 78 | L | 91.4 | Very high | 94.3 | Very high | 17 Ų | 17 | 46 Ų | 46 | 9% | 0.089 | 23% | 0.228 | C | C | . | . | trans | -87.8 | 81.4 | 175.3 | -176.3 | 66 | 0 | 0 | 0 | 108.6 | Q37 F38 T41 L71 V76 I133 | Q37-L78 HydrophobicContact CB-CD1 3.66Å; F38-L78 HydrophobicContact CD2-CG 4.39Å; T41-L78 VanDerWaalsContact CB-CD2 3.45Å; T41-L78 HydrophobicContact CG2-CD2 3.76Å; L71-L78 HydrophobicContact CD2-CD2 3.85Å; L71-L78 HydrophobicContact CG-CD2 4.04Å; V76-L78 PolarHBondContact O-N 2.9Å; L78-I133 VanDerWaalsContact O-CB 3.31Å; L78-I133 WeakPolarHBondContact O-CB 3.44Å | ||
| 79 | L | 95.1 | Very high | 94.3 | Very high | 46 Ų | 46 | 46.7 Ų | 46.7 | 24% | 0.241 | 23% | 0.233 | C | C | . | . | trans | -63.9 | 144.7 | 178.2 | -53.2 | -178.4 | 0 | 0 | 0 | 109.9 | V33 P77 I133 P135 | V33-L79 HydrophobicContact CG1-CB 4.01Å; V33-L79 WeakPolarHBondContact CG1-O 3.39Å; V33-L79 HydrophobicContact CG2-CB 4.02Å; V33-L79 HydrophobicContact CG2-CD1 4.27Å; P77-L79 HydrophobicContact CB-CD2 4.1Å; P77-L79 PolarHBondContact O-N 2.95Å; L79-I133 WeakPolarHBondContact CA-O 3.31Å; L79-I133 HydrophobicContact CD2-CG2 4.26Å; L79-P135 HydrophobicContact CD1-CB 4.37Å; L79-P135 HydrophobicContact CD1-CG 4.19Å | ||
| 80 | G | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 139.9 | -178.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | W28 F38 S132 I133 | W28-G80 VanDerWaalsContact CE2-C 3.44Å; W28-G80 VanDerWaalsContact NE1-C 3.32Å; F38-G80 VanDerWaalsContact CD2-C 3.46Å; F38-G80 WeakPolarHBondContact CD2-O 3.45Å; F38-G80 WeakPolarHBondContact CE2-O 3.34Å; G80-S132 WeakPolarHBondContact O-CA 3.17Å; G80-I133 PolarHBondContact N-O 2.87Å; G80-I133 PolarHBondContact O-N 2.98Å |
| 81 | S | 97.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 159.5 | 170.4 | 62.7 | 0 | 0 | 0 | 0 | 111.4 | G24 V25 W28 Q130 L131 S132 | G24-S81 WeakPolarHBondContact CA-O 3.33Å; V25-S81 VanDerWaalsContact CB-OG 3.29Å; V25-S81 WeakPolarHBondContact CB-OG 3.46Å; V25-S81 VanDerWaalsContact CG2-OG 3.25Å; V25-S81 WeakPolarHBondContact CG2-OG 3.49Å; V25-S81 PolarHBondContact N-O 2.78Å; W28-S81 PolarHBondContact NE1-OG 2.87Å; S81-Q130 VanDerWaalsContact CB-OE1 3.32Å; S81-Q130 PolarHBondContact OG-OE1 2.86Å; S81-L131 CarbonylContact C-O 3.58Å; S81-L131 WeakPolarHBondContact CA-O 3.38Å; S81-L131 WeakPolarHBondContact CB-O 3.11Å; S81-S132 WeakPolarHBondContact CB-OG 3.05Å |
| 82 | S | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 157.8 | 171.8 | 76.6 | 0 | 0 | 0 | 0 | 112.1 | D23 F38 L42 Q130 L131 | D23-S82 CarbonylContact O-C 3.59Å; D23-S82 WeakPolarHBondContact O-CA 3.49Å; D23-S82 WeakPolarHBondContact O-CB 3.36Å; F38-S82 WeakPolarHBondContact CD1-OG 3.43Å; F38-S82 WeakPolarHBondContact CE1-OG 3.23Å; L42-S82 WeakPolarHBondContact CD2-OG 3.32Å; S82-Q130 WeakPolarHBondContact O-CA 3.32Å; S82-L131 PolarHBondContact N-O 3.15Å; S82-L131 PolarHBondContact O-N 2.96Å |
| 83 | T | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -70.9 | 172 | 156.3 | 65.6 | 0 | 0 | 0 | 0 | 109.9 | A22 D23 L101 S104 P128 | A22-T83 WeakPolarHBondContact CA-O 3.38Å; A22-T83 WeakPolarHBondContact CB-O 3.4Å; D23-T83 WeakPolarHBondContact CB-OG1 3.39Å; D23-T83 PolarHBondContact N-OG1 3.36Å; D23-T83 VanDerWaalsContact N-OG1 3.08Å; D23-T83 PolarHBondContact O-N 3.37Å; D23-T83 PolarHBondContact O-OG1 2.94Å; T83-L101 CarbonylContact C-O 3.52Å; T83-L101 WeakPolarHBondContact CA-O 3.32Å; T83-L101 WeakPolarHBondContact CB-O 3.1Å; T83-S104 PolarHBondContact OG1-OG 2.77Å; T83-P128 HydrophobicContact CG2-CB 3.81Å; T83-P128 HydrophobicContact CG2-CG 3.85Å | ||
| 84 | A | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.8 | 128.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V21 L42 L64 L101 | V21-A84 WeakPolarHBondContact O-CA 3.34Å; L42-A84 HydrophobicContact CD2-CB 4.06Å; L64-A84 HydrophobicContact CD1-CB 3.5Å; L64-A84 VanDerWaalsContact CD1-CB 3.5Å; L64-A84 HydrophobicContact CD2-CB 4.21Å; A84-L101 PolarHBondContact N-O 2.75Å; A84-L101 PolarHBondContact O-N 3.08Å |
| 85 | C | 98.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 120.1 | 168.8 | 180 | 0 | 0 | 0 | 0 | 109.7 | G20 V21 A99 N100 T165 | G20-C85 WeakPolarHBondContact CA-O 3.35Å; V21-C85 HydrophobicContact CG2-CB 3.85Å; V21-C85 PolarHBondContact N-O 2.85Å; V21-C85 PolarHBondContact O-N 2.82Å; C85-A99 CarbonylContact C-O 3.59Å; C85-A99 WeakPolarHBondContact CA-O 3.21Å; C85-N100 VanDerWaalsContact CB-OD1 3.26Å; C85-N100 WeakPolarHBondContact CB-OD1 3.42Å; C85-T165 HydrophobicContact CB-CG2 4.48Å |
| 86 | I | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 129.7 | 176.3 | -51.4 | -60.8 | 0 | 0 | 0 | 109.3 | F9 V18 M43 P60 V88 T98 A99 | F9-I86 HydrophobicContact CE1-CD1 3.81Å; F9-I86 HydrophobicContact CZ-CD1 4.2Å; V18-I86 HydrophobicContact CG1-CG2 3.93Å; M43-I86 HydrophobicContact CE-CD1 4.08Å; P60-I86 HydrophobicContact CB-CB 4.28Å; P60-I86 HydrophobicContact CB-CG2 4.06Å; I86-V88 HydrophobicContact CG2-CG2 4.26Å; I86-T98 CarbonylContact O-C 3.57Å; I86-T98 VanDerWaalsContact O-CA 3.28Å; I86-T98 WeakPolarHBondContact O-CA 3.48Å; I86-A99 PolarHBondContact N-O 3.24Å; I86-A99 PolarHBondContact O-N 3.02Å |
| 87 | V | 98.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123.9 | 178.9 | 177.5 | 0 | 0 | 0 | 0 | 109.1 | V18 L19 L96 T98 F106 I163 T165 | V18-V87 CarbonylContact C-O 3.54Å; V18-V87 WeakPolarHBondContact CA-O 3.42Å; L19-V87 HydrophobicContact CB-CB 4.41Å; L19-V87 PolarHBondContact N-O 2.64Å; L19-V87 PolarHBondContact O-N 2.87Å; V87-L96 HydrophobicContact CG1-CD1 3.63Å; V87-L96 HydrophobicContact CG1-CD2 3.63Å; V87-L96 HydrophobicContact CG1-CG 3.7Å; V87-T98 HydrophobicContact CB-CG2 4.45Å; V87-T98 HydrophobicContact CG1-CG2 4.23Å; V87-T98 HydrophobicContact CG2-CG2 4.04Å; V87-F106 HydrophobicContact CG2-CB 4.06Å; V87-F106 HydrophobicContact CG2-CD1 4.2Å; V87-F106 HydrophobicContact CG2-CG 4.07Å; V87-I163 HydrophobicContact CG1-CG2 4.16Å; V87-T165 HydrophobicContact CG2-CG2 4.18Å |
| 88 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 117 | -178.8 | -178.8 | 0 | 0 | 0 | 0 | 109.4 | A16 D17 V18 P57 P60 I86 L96 H97 | A16-V88 HydrophobicContact CB-CG1 4.14Å; D17-V88 WeakPolarHBondContact O-CA 3.43Å; V18-V88 HydrophobicContact CB-CG2 4.49Å; V18-V88 HydrophobicContact CG1-CG2 3.88Å; V18-V88 HydrophobicContact CG2-CB 4.48Å; V18-V88 HydrophobicContact CG2-CG1 4.1Å; V18-V88 HydrophobicContact CG2-CG2 4.03Å; P57-V88 HydrophobicContact CB-CG1 4.03Å; P57-V88 WeakPolarHBondContact O-CG1 3.38Å; P60-V88 HydrophobicContact CB-CG2 4Å; P60-V88 HydrophobicContact CG-CB 4.26Å; P60-V88 HydrophobicContact CG-CG2 3.8Å; I86-V88 HydrophobicContact CG2-CG2 4.26Å; V88-L96 CarbonylContact O-C 3.41Å; V88-L96 WeakPolarHBondContact O-CA 3.2Å; V88-H97 HydrophobicContact CB-CB 4.43Å; V88-H97 PolarHBondContact N-O 2.54Å; V88-H97 PolarHBondContact O-N 2.95Å |
| 89 | L | 98.2 | Very high | 97.3 | Very high | 29 Ų | 29 | 25.1 Ų | 25.1 | 15% | 0.152 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 107.9 | 165.4 | 176.5 | 63.3 | 0 | 0 | 0 | 108.7 | A16 D17 R91 L96 V157 | A16-L89 WeakPolarHBondContact CA-O 3.26Å; D17-L89 HydrophobicContact CB-CB 4.41Å; D17-L89 PolarHBondContact N-O 2.76Å; D17-L89 VanDerWaalsContact N-O 3.08Å; D17-L89 PolarHBondContact O-N 3.35Å; L89-R91 HydrophobicContact CG-CG 4.48Å; L89-L96 HydrophobicContact CB-CD1 3.95Å; L89-L96 HydrophobicContact CD1-CD1 4.27Å; L89-V157 HydrophobicContact CD1-CG1 4.36Å; L89-V157 HydrophobicContact CD1-CG2 3.68Å |
| 90 | D | 97.1 | Very high | 97.5 | Very high | 17 Ų | 17 | 23 Ų | 23 | 9% | 0.091 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 106.2 | 171.1 | 179.1 | 9.7 | 0 | 0 | 0 | 110.1 | P57 Q92 S93 H94 Q95 | P57-D90 HydrophobicContact CB-CB 3.98Å; D90-Q92 PolarHBondContact O-N 3.43Å; D90-Q92 WeakPolarHBondContact OD1-CB 3.41Å; D90-Q92 PolarHBondContact OD1-N 3.25Å; D90-S93 WeakPolarHBondContact CB-OG 3.43Å; D90-S93 WeakPolarHBondContact OD2-CB 3.36Å; D90-S93 PolarHBondContact OD2-OG 3.2Å; D90-H94 WeakPolarHBondContact O-CA 3.21Å; D90-H94 PolarHBondContact O-N 3.38Å; D90-Q95 PolarHBondContact N-O 2.65Å; D90-Q95 PolarHBondContact O-N 3.3Å |
| 91 | R | 94.3 | Very high | 97.6 | Very high | 49 Ų | 49 | 23 Ų | 23 | 19% | 0.185 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -12.7 | -179.2 | -57.9 | -170.3 | -69.6 | -80.7 | 0.3 | 113.2 | R14 S15 A16 D17 L89 H94 | R14-R91 PolarHBondContact O-NH2 2.86Å; S15-R91 VanDerWaalsContact C-CZ 3.44Å; S15-R91 WeakPolarHBondContact O-CA 3.42Å; S15-R91 WeakPolarHBondContact O-CB 3.26Å; S15-R91 WeakPolarHBondContact O-CG 3.42Å; S15-R91 PolarHBondContact O-N 3.23Å; A16-R91 PolarHBondContact O-NH1 3.11Å; A16-R91 VanDerWaalsContact O-NH1 3.12Å; D17-R91 IonicContact OD1-NH1 3.09Å; D17-R91 PolarHBondContact OD1-NH1 3.31Å; D17-R91 IonicContact OD2-CZ 3.06Å; D17-R91 IonicContact OD2-NH1 3.77Å; D17-R91 PolarHBondContact OD2-NH1 2.9Å; L89-R91 HydrophobicContact CG-CG 4.48Å; R91-H94 PolarHBondContact O-CD2 3.22Å; R91-H94 PolarHBondContact O-NE2 3Å |
| 92 | Q | 92.9 | Very high | 97.6 | Very high | 149 Ų | 149 | 23 Ų | 23 | 70% | 0.696 | 11% | 0.111 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -44.2 | 175.5 | -77.1 | 176.4 | 8.6 | 0 | 0 | 112 | D90 | D90-Q92 PolarHBondContact O-N 3.43Å; D90-Q92 WeakPolarHBondContact OD1-CB 3.41Å; D90-Q92 PolarHBondContact OD1-N 3.25Å |
| 93 | S | 95.1 | Very high | 97.6 | Very high | 46 Ų | 46 | 23.1 Ų | 23.1 | 32% | 0.322 | 11% | 0.112 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -14.1 | 178.9 | 58.6 | 0 | 0 | 0 | 0 | 113.1 | D90 Q95 | D90-S93 WeakPolarHBondContact CB-OG 3.43Å; D90-S93 WeakPolarHBondContact OD2-CB 3.36Å; D90-S93 PolarHBondContact OD2-OG 3.2Å; S93-Q95 PolarHBondContact O-N 3.08Å; S93-Q95 PolarHBondContact OG-N 2.78Å |
| 94 | H | 95.4 | Very high | 97.6 | Very high | 125 Ų | 125 | 23.1 Ų | 23.1 | 58% | 0.579 | 11% | 0.112 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 35.7 | -169.7 | -49.6 | 152.1 | 0 | 0 | 0 | 112.3 | D90 R91 V157 | D90-H94 WeakPolarHBondContact O-CA 3.21Å; D90-H94 PolarHBondContact O-N 3.38Å; R91-H94 PolarHBondContact O-CD2 3.22Å; R91-H94 PolarHBondContact O-NE2 3Å; H94-V157 VanDerWaalsContact O-CG2 3.25Å; H94-V157 WeakPolarHBondContact O-CG2 3.37Å; H94-V157 PolarHBondContact O-N 3.36Å |
| 95 | Q | 97.7 | Very high | 97.6 | Very high | 57 Ų | 57 | 23.1 Ų | 23.1 | 27% | 0.266 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 147.5 | 178.8 | -63.1 | -165.6 | -34.9 | 0 | 0 | 111.3 | D90 S93 H97 F155 D156 | D90-Q95 PolarHBondContact N-O 2.65Å; D90-Q95 PolarHBondContact O-N 3.3Å; S93-Q95 PolarHBondContact O-N 3.08Å; S93-Q95 PolarHBondContact OG-N 2.78Å; Q95-H97 PolarHBondContact OE1-CE1 3.12Å; Q95-F155 WeakPolarHBondContact CA-O 3.42Å; Q95-D156 WeakPolarHBondContact CG-OD1 3.37Å; Q95-D156 PolarHBondContact NE2-OD1 3.06Å |
| 96 | L | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 127.8 | 162 | -153.2 | 74.4 | 0 | 0 | 0 | 108.2 | V87 V88 L89 T98 F106 V108 S154 F155 V157 I163 | V87-L96 HydrophobicContact CG1-CD1 3.63Å; V87-L96 HydrophobicContact CG1-CD2 3.63Å; V87-L96 HydrophobicContact CG1-CG 3.7Å; V88-L96 CarbonylContact O-C 3.41Å; V88-L96 WeakPolarHBondContact O-CA 3.2Å; L89-L96 HydrophobicContact CB-CD1 3.95Å; L89-L96 HydrophobicContact CD1-CD1 4.27Å; L96-T98 HydrophobicContact CD2-CG2 4.12Å; L96-T98 HydrophobicContact CG-CG2 4.28Å; L96-F106 HydrophobicContact CD2-CE2 4.5Å; L96-V108 HydrophobicContact CD2-CG2 4.01Å; L96-S154 VanDerWaalsContact O-CA 3.26Å; L96-S154 WeakPolarHBondContact O-CA 3.14Å; L96-F155 HydrophobicContact CB-CD2 4.42Å; L96-F155 HydrophobicContact CB-CE1 4.09Å; L96-F155 HydrophobicContact CB-CE2 3.88Å; L96-F155 HydrophobicContact CB-CZ 3.7Å; L96-F155 HydrophobicContact CD2-CE1 4.03Å; L96-F155 HydrophobicContact CD2-CE2 4.04Å; L96-F155 HydrophobicContact CD2-CZ 3.33Å; L96-F155 HydrophobicContact CG-CZ 4.12Å; L96-F155 PolarHBondContact N-O 2.84Å; L96-F155 PolarHBondContact O-N 3.05Å; L96-F155 VanDerWaalsContact O-N 3.12Å; L96-V157 HydrophobicContact CB-CG1 3.81Å; L96-I163 HydrophobicContact CD1-CD1 3.66Å; L96-I163 HydrophobicContact CD2-CD1 4.15Å; L96-I163 HydrophobicContact CD2-CG1 4.19Å; L96-I163 HydrophobicContact CD2-CG2 4.23Å |
| 97 | H | 98.6 | Very high | 97.5 | Very high | 7 Ų | 7 | 23.2 Ų | 23.2 | 3% | 0.032 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 134.3 | 171.3 | -55.5 | -77.1 | 0 | 0 | 0 | 108.8 | P57 P60 V88 Q95 S153 S154 | P57-H97 PolarHBondContact O-CD2 2.98Å; P60-H97 VanDerWaalsContact CG-C 3.46Å; P60-H97 HydrophobicContact CG-CB 3.54Å; P60-H97 WeakPolarHBondContact CG-O 3.34Å; V88-H97 HydrophobicContact CB-CB 4.43Å; V88-H97 PolarHBondContact N-O 2.54Å; V88-H97 PolarHBondContact O-N 2.95Å; Q95-H97 PolarHBondContact OE1-CE1 3.12Å; H97-S153 WeakPolarHBondContact CA-O 3.37Å; H97-S154 WeakPolarHBondContact ND1-CB 3.38Å; H97-S154 PolarHBondContact ND1-OG 2.91Å |
| 98 | T | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 154.5 | -176.8 | 70 | 0 | 0 | 0 | 0 | 112.7 | I86 V87 L96 F106 S152 S153 | I86-T98 CarbonylContact O-C 3.57Å; I86-T98 VanDerWaalsContact O-CA 3.28Å; I86-T98 WeakPolarHBondContact O-CA 3.48Å; V87-T98 HydrophobicContact CB-CG2 4.45Å; V87-T98 HydrophobicContact CG1-CG2 4.23Å; V87-T98 HydrophobicContact CG2-CG2 4.04Å; L96-T98 HydrophobicContact CD2-CG2 4.12Å; L96-T98 HydrophobicContact CG-CG2 4.28Å; T98-F106 VanDerWaalsContact CB-CE1 3.49Å; T98-F106 HydrophobicContact CG2-CD1 4.12Å; T98-F106 HydrophobicContact CG2-CD2 4.36Å; T98-F106 HydrophobicContact CG2-CE1 3.56Å; T98-F106 HydrophobicContact CG2-CE2 3.8Å; T98-F106 HydrophobicContact CG2-CZ 3.39Å; T98-F106 WeakPolarHBondContact OG1-CE1 3.17Å; T98-F106 WeakPolarHBondContact OG1-CZ 3.48Å; T98-S152 VanDerWaalsContact O-CA 3.28Å; T98-S152 WeakPolarHBondContact O-CA 3.32Å; T98-S152 WeakPolarHBondContact O-CB 3.48Å; T98-S153 PolarHBondContact N-O 3Å; T98-S153 PolarHBondContact O-N 2.84Å; T98-S153 PolarHBondContact OG1-N 2.87Å; T98-S153 PolarHBondContact OG1-OG 2.88Å |
| 99 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 117 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | P60 V61 C85 I86 A150 D151 | P60-A99 HydrophobicContact CB-CB 3.87Å; V61-A99 HydrophobicContact CB-CB 4.48Å; V61-A99 HydrophobicContact CG2-CB 3.67Å; C85-A99 CarbonylContact C-O 3.59Å; C85-A99 WeakPolarHBondContact CA-O 3.21Å; I86-A99 PolarHBondContact N-O 3.24Å; I86-A99 PolarHBondContact O-N 3.02Å; A99-A150 HydrophobicContact CB-CB 4.23Å; A99-D151 CarbonylContact C-O 3.57Å; A99-D151 WeakPolarHBondContact CA-O 3.41Å |
| 100 | N | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 123.7 | 177.3 | -170.1 | 43.8 | 0 | 0 | 0 | 109.9 | C85 G102 S104 D119 Q121 A150 D151 | C85-N100 VanDerWaalsContact CB-OD1 3.26Å; C85-N100 WeakPolarHBondContact CB-OD1 3.42Å; N100-G102 PolarHBondContact ND2-O 3.1Å; N100-S104 VanDerWaalsContact CG-O 3.3Å; N100-S104 PolarHBondContact ND2-O 2.79Å; N100-S104 PolarHBondContact OD1-O 3.23Å; N100-D119 PolarHBondContact ND2-O 3.45Å; N100-Q121 PolarHBondContact O-OE1 3.39Å; N100-A150 CarbonylContact O-C 3.55Å; N100-A150 VanDerWaalsContact O-CA 3.26Å; N100-A150 WeakPolarHBondContact O-CA 3.19Å; N100-D151 PolarHBondContact N-O 3.06Å; N100-D151 PolarHBondContact O-N 2.89Å |
| 101 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 111.2 | 172.2 | -170.4 | 84.5 | 0 | 0 | 0 | 108.8 | L64 T83 A84 F129 L131 D145 A150 | L64-L101 HydrophobicContact CD2-CB 4.27Å; T83-L101 CarbonylContact C-O 3.52Å; T83-L101 WeakPolarHBondContact CA-O 3.32Å; T83-L101 WeakPolarHBondContact CB-O 3.1Å; A84-L101 PolarHBondContact N-O 2.75Å; A84-L101 PolarHBondContact O-N 3.08Å; L101-F129 HydrophobicContact CD1-CB 4.09Å; L101-F129 HydrophobicContact CD1-CD1 4.3Å; L101-F129 HydrophobicContact CG-CB 4.13Å; L101-L131 HydrophobicContact CD2-CD1 4.44Å; L101-L131 HydrophobicContact CD2-CD2 3.51Å; L101-L131 HydrophobicContact CD2-CG 3.49Å; L101-L131 VanDerWaalsContact CD2-CG 3.49Å; L101-D145 HydrophobicContact CD1-CB 4.36Å; L101-A150 HydrophobicContact CB-CB 4.08Å; L101-A150 HydrophobicContact CD1-CB 4.24Å |
| 102 | G | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 103.2 | -150.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | N100 Q121 F129 | N100-G102 PolarHBondContact ND2-O 3.1Å; G102-Q121 CarbonylContact C-O 3.45Å; G102-Q121 WeakPolarHBondContact CA-O 3.44Å; G102-Q121 PolarHBondContact O-N 3.3Å; G102-F129 VanDerWaalsContact CA-O 3.22Å; G102-F129 WeakPolarHBondContact CA-O 3.41Å |
| 103 | D | 97.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -113.8 | 7.6 | -174.7 | 49.4 | 8.6 | 0 | 0 | 0 | 114.4 | E120 Q122 P128 D168 | D103-E120 HydrophobicContact CB-CB 4.25Å; D103-E120 HydrophobicContact CB-CG 4.17Å; D103-Q122 PolarHBondContact OD2-NE2 3.43Å; D103-P128 HydrophobicContact CB-CB 4.45Å; D103-P128 VanDerWaalsContact OD1-CB 3.31Å; D103-P128 WeakPolarHBondContact OD1-CB 3.42Å; D103-P128 WeakPolarHBondContact OD2-CB 3.25Å; D103-D168 HydrophobicContact CB-CB 4.41Å |
| 104 | S | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -58.8 | 170.6 | 147.4 | -74 | 0 | 0 | 0 | 0 | 110.5 | T83 N100 | T83-S104 PolarHBondContact OG1-OG 2.77Å; N100-S104 VanDerWaalsContact CG-O 3.3Å; N100-S104 PolarHBondContact ND2-O 2.79Å; N100-S104 PolarHBondContact OD1-O 3.23Å | ||
| 105 | G | 98.2 | Very high | 97.9 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.7 | -169.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | S118 T165 A166 | G105-S118 WeakPolarHBondContact CA-OG 3.38Å; G105-T165 WeakPolarHBondContact O-CA 3.21Å; G105-A166 PolarHBondContact N-O 3.48Å; G105-A166 PolarHBondContact O-N 3.35Å |
| 106 | F | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 157.9 | 178.3 | 73.3 | -83.1 | 0 | 0 | 0 | 113.1 | V87 L96 T98 V108 H116 S118 F155 L164 T165 | V87-F106 HydrophobicContact CG2-CB 4.06Å; V87-F106 HydrophobicContact CG2-CD1 4.2Å; V87-F106 HydrophobicContact CG2-CG 4.07Å; L96-F106 HydrophobicContact CD2-CE2 4.5Å; T98-F106 VanDerWaalsContact CB-CE1 3.49Å; T98-F106 HydrophobicContact CG2-CD1 4.12Å; T98-F106 HydrophobicContact CG2-CD2 4.36Å; T98-F106 HydrophobicContact CG2-CE1 3.56Å; T98-F106 HydrophobicContact CG2-CE2 3.8Å; T98-F106 HydrophobicContact CG2-CZ 3.39Å; T98-F106 WeakPolarHBondContact OG1-CE1 3.17Å; T98-F106 WeakPolarHBondContact OG1-CZ 3.48Å; F106-V108 HydrophobicContact CD2-CG2 4.15Å; F106-V108 HydrophobicContact CE2-CG2 4.24Å; F106-H116 AromaticContact CE2-CD2 3.43Å; F106-H116 VanDerWaalsContact CE2-CD2 3.43Å; F106-H116 WeakPolarHBondContact CE2-CD2 3.47Å; F106-H116 AromaticContact CZ-CD2 3.51Å; F106-H116 AromaticContact CZ-NE2 3.8Å; F106-S118 PolarHBondContact N-OG 3.26Å; F106-S118 PolarHBondContact O-N 2.78Å; F106-S118 PolarHBondContact O-OG 2.87Å; F106-F155 AromaticContact CE2-CE1 3.92Å; F106-F155 HydrophobicContact CE2-CE1 3.92Å; F106-F155 HydrophobicContact CE2-CZ 4.08Å; F106-F155 HydrophobicContact CZ-CE1 4.31Å; F106-L164 CarbonylContact C-O 3.49Å; F106-L164 WeakPolarHBondContact CA-O 3.37Å; F106-L164 WeakPolarHBondContact CB-O 3.36Å; F106-T165 HydrophobicContact CB-CG2 4.45Å |
| 107 | L | 97.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 139.1 | 174.3 | -71.6 | 174.5 | 0 | 0 | 0 | 109.2 | V114 R117 I163 L164 F171 I179 | L107-V114 HydrophobicContact CD2-CG1 3.83Å; L107-V114 HydrophobicContact CD2-CG2 4.34Å; L107-R117 HydrophobicContact CD2-CB 3.62Å; L107-R117 HydrophobicContact CD2-CG 3.6Å; L107-I163 WeakPolarHBondContact O-CA 3.1Å; L107-L164 HydrophobicContact CB-CB 4.38Å; L107-L164 PolarHBondContact N-O 3.38Å; L107-L164 PolarHBondContact O-N 3.47Å; L107-F171 HydrophobicContact CD1-CE1 3.92Å; L107-F171 HydrophobicContact CG-CE1 4.09Å; L107-I179 HydrophobicContact CD1-CD1 3.82Å; L107-I179 HydrophobicContact CD1-CG2 4.19Å |
| 108 | V | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 123.6 | 166.2 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | L96 F106 V114 V115 H116 F155 D161 I162 I163 | L96-V108 HydrophobicContact CD2-CG2 4.01Å; F106-V108 HydrophobicContact CD2-CG2 4.15Å; F106-V108 HydrophobicContact CE2-CG2 4.24Å; V108-V114 WeakPolarHBondContact O-CA 3.27Å; V108-V115 HydrophobicContact CB-CG2 4.1Å; V108-V115 HydrophobicContact CG1-CG2 3.76Å; V108-V115 WeakPolarHBondContact O-CG2 3.42Å; V108-V115 PolarHBondContact O-N 3.3Å; V108-H116 HydrophobicContact CB-CB 4.08Å; V108-H116 HydrophobicContact CG2-CB 4.35Å; V108-H116 PolarHBondContact N-O 2.96Å; V108-H116 PolarHBondContact O-N 3.09Å; V108-F155 HydrophobicContact CB-CE2 4.2Å; V108-F155 HydrophobicContact CB-CZ 4.23Å; V108-F155 HydrophobicContact CG1-CE2 4.14Å; V108-F155 HydrophobicContact CG2-CE2 3.7Å; V108-F155 HydrophobicContact CG2-CZ 3.36Å; V108-D161 HydrophobicContact CG1-CB 4.27Å; V108-I162 WeakPolarHBondContact CA-O 3.13Å; V108-I163 HydrophobicContact CG2-CG1 4.08Å |
| 109 | V | 98.4 | Very high | 97.6 | Very high | 5 Ų | 5 | 32.4 Ų | 32.4 | 3% | 0.03 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.6 | -177.7 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | E113 V114 I162 L180 L183 | V109-E113 CarbonylContact C-O 3.56Å; V109-E113 VanDerWaalsContact CA-O 3.26Å; V109-E113 WeakPolarHBondContact CA-O 3.43Å; V109-V114 HydrophobicContact CG2-CG2 4.29Å; V109-I162 HydrophobicContact CB-CB 4.29Å; V109-I162 PolarHBondContact N-O 3.43Å; V109-I162 PolarHBondContact O-N 3.35Å; V109-L180 HydrophobicContact CB-CD2 4.3Å; V109-L180 HydrophobicContact CG1-CD2 3.62Å; V109-L180 HydrophobicContact CG2-CD2 3.64Å; V109-L183 HydrophobicContact CB-CD1 4.36Å; V109-L183 HydrophobicContact CG2-CD1 3.79Å |
| 110 | R | 97.6 | Very high | 97.4 | Very high | 66 Ų | 66 | 36.2 Ų | 36.2 | 25% | 0.249 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 126.1 | 178.9 | -177.7 | -179.2 | -64.5 | 158.6 | -0.7 | 109.1 | G112 E113 V115 D156 Q158 D161 | R110-G112 PolarHBondContact O-N 3.09Å; R110-G112 VanDerWaalsContact O-N 3.13Å; R110-E113 PolarHBondContact N-O 2.86Å; R110-E113 PolarHBondContact O-N 3.05Å; R110-E113 VanDerWaalsContact O-N 3.13Å; R110-V115 HydrophobicContact CB-CB 4.45Å; R110-V115 HydrophobicContact CB-CG1 3.71Å; R110-V115 HydrophobicContact CB-CG2 3.85Å; R110-D156 PolarHBondContact NH2-O 3.34Å; R110-Q158 VanDerWaalsContact CZ-CD 3.48Å; R110-Q158 VanDerWaalsContact CZ-NE2 3.35Å; R110-D161 WeakPolarHBondContact CB-OD1 3.39Å; R110-D161 VanDerWaalsContact CG-OD1 3.23Å; R110-D161 WeakPolarHBondContact CG-OD1 3.38Å; R110-D161 IonicContact CZ-OD1 3.67Å; R110-D161 IonicContact CZ-OD2 3.46Å; R110-D161 IonicContact NE-OD1 2.79Å; R110-D161 PolarHBondContact NE-OD1 2.83Å; R110-D161 IonicContact NE-OD2 3.37Å; R110-D161 PolarHBondContact NE-OD2 3Å; R110-D161 IonicContact NH2-OD1 3.69Å; R110-D161 IonicContact NH2-OD2 2.71Å; R110-D161 PolarHBondContact NH2-OD2 2.86Å |
| 111 | G | 95.4 | Very high | 97.4 | Very high | 86 Ų | 86 | 37.9 Ų | 37.9 | 89% | 0.887 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 22.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 112 | G | 95.6 | Very high | 97.2 | Very high | 31 Ų | 31 | 40.1 Ų | 40.1 | 32% | 0.32 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.7 | 4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | R110 | R110-G112 PolarHBondContact O-N 3.09Å; R110-G112 VanDerWaalsContact O-N 3.13Å |
| 113 | E | 97.4 | Very high | 97.1 | Very high | 132 Ų | 132 | 43.5 Ų | 43.5 | 62% | 0.617 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 147.7 | 178.5 | -61 | -61.5 | 144.5 | 0 | 0 | 110.7 | V109 R110 V115 | V109-E113 CarbonylContact C-O 3.56Å; V109-E113 VanDerWaalsContact CA-O 3.26Å; V109-E113 WeakPolarHBondContact CA-O 3.43Å; R110-E113 PolarHBondContact N-O 2.86Å; R110-E113 PolarHBondContact O-N 3.05Å; R110-E113 VanDerWaalsContact O-N 3.13Å; E113-V115 PolarHBondContact O-N 2.87Å |
| 114 | V | 98.1 | Very high | 96.8 | Very high | 44 Ų | 44 | 49.9 Ų | 49.9 | 27% | 0.267 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 115.1 | 171.5 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | L107 V108 V109 H116 R117 D176 L180 | L107-V114 HydrophobicContact CD2-CG1 3.83Å; L107-V114 HydrophobicContact CD2-CG2 4.34Å; V108-V114 WeakPolarHBondContact O-CA 3.27Å; V109-V114 HydrophobicContact CG2-CG2 4.29Å; V114-H116 WeakPolarHBondContact CG1-O 3.32Å; V114-R117 HydrophobicContact CG1-CB 4.21Å; V114-D176 HydrophobicContact CG2-CB 4.4Å; V114-L180 HydrophobicContact CG2-CD1 4.22Å; V114-L180 HydrophobicContact CG2-CD2 4.09Å; V114-L180 HydrophobicContact CG2-CG 4.32Å |
| 115 | V | 97.7 | Very high | 96.5 | Very high | 68 Ų | 68 | 51.9 Ų | 51.9 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | -20.1 | 176.5 | -67.2 | 0 | 0 | 0 | 0 | 112.9 | V108 R110 E113 | V108-V115 HydrophobicContact CB-CG2 4.1Å; V108-V115 HydrophobicContact CG1-CG2 3.76Å; V108-V115 WeakPolarHBondContact O-CG2 3.42Å; V108-V115 PolarHBondContact O-N 3.3Å; R110-V115 HydrophobicContact CB-CB 4.45Å; R110-V115 HydrophobicContact CB-CG1 3.71Å; R110-V115 HydrophobicContact CB-CG2 3.85Å; E113-V115 PolarHBondContact O-N 2.87Å |
| 116 | H | 97.2 | Very high | 96.2 | Very high | 56 Ų | 56 | 55 Ų | 55 | 26% | 0.259 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 140.3 | 173.6 | -159.6 | 88 | 0 | 0 | 0 | 110.3 | F106 V108 V114 S153 F155 | F106-H116 AromaticContact CE2-CD2 3.43Å; F106-H116 VanDerWaalsContact CE2-CD2 3.43Å; F106-H116 WeakPolarHBondContact CE2-CD2 3.47Å; F106-H116 AromaticContact CZ-CD2 3.51Å; F106-H116 AromaticContact CZ-NE2 3.8Å; V108-H116 HydrophobicContact CB-CB 4.08Å; V108-H116 HydrophobicContact CG2-CB 4.35Å; V108-H116 PolarHBondContact N-O 2.96Å; V108-H116 PolarHBondContact O-N 3.09Å; V114-H116 WeakPolarHBondContact CG1-O 3.32Å; H116-S153 PolarHBondContact NE2-OG 3.37Å; H116-F155 HydrophobicContact CB-CE1 4.26Å; H116-F155 HydrophobicContact CB-CE2 4.47Å; H116-F155 HydrophobicContact CB-CZ 4.15Å; H116-F155 AromaticContact CD2-CE1 3.73Å; H116-F155 AromaticContact CG-CE1 3.77Å; H116-F155 AromaticContact ND1-CD1 3.95Å |
| 117 | R | 97.1 | Very high | 96 | Very high | 68 Ų | 68 | 56.3 Ų | 56.3 | 26% | 0.257 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 138.1 | 174.2 | 174.5 | 164 | -176.5 | 71.5 | 6.8 | 108 | L107 V114 E120 F171 D176 | L107-R117 HydrophobicContact CD2-CB 3.62Å; L107-R117 HydrophobicContact CD2-CG 3.6Å; V114-R117 HydrophobicContact CG1-CB 4.21Å; R117-E120 IonicContact NH2-OE1 3.97Å; R117-E120 PolarHBondContact NH2-OE1 3.43Å; R117-F171 VanDerWaalsContact NH1-CD1 3.35Å; R117-D176 IonicContact CZ-OD1 3.91Å; R117-D176 IonicContact NH1-OD1 2.89Å |
| 118 | S | 97.4 | Very high | 96 | Very high | 3 Ų | 3 | 57 Ų | 57 | 2% | 0.021 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 142.5 | 169.7 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | G105 F106 | G105-S118 WeakPolarHBondContact CA-OG 3.38Å; F106-S118 PolarHBondContact N-OG 3.26Å; F106-S118 PolarHBondContact O-N 2.78Å; F106-S118 PolarHBondContact O-OG 2.87Å |
| 119 | D | 95.2 | Very high | 96 | Very high | 116 Ų | 116 | 59.1 Ų | 59.1 | 62% | 0.62 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -80 | 136.8 | 167.5 | -66.7 | -42.5 | 0 | 0 | 0 | 110 | N100 | N100-D119 PolarHBondContact ND2-O 3.45Š|
| 120 | E | 94.8 | Very high | 95.9 | Very high | 81 Ų | 81 | 59.5 Ų | 59.5 | 38% | 0.379 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 138.7 | 174.6 | -69.5 | 163.8 | -154 | 0 | 0 | 110 | D103 R117 | D103-E120 HydrophobicContact CB-CB 4.25Å; D103-E120 HydrophobicContact CB-CG 4.17Å; R117-E120 IonicContact NH2-OE1 3.97Å; R117-E120 PolarHBondContact NH2-OE1 3.43Å |
| 121 | Q | 96.9 | Very high | 96 | Very high | 35 Ų | 35 | 56.3 Ų | 56.3 | 16% | 0.164 | 30% | 0.302 | C | S | . | . | trans | -112.7 | 113.3 | 179.4 | -60.4 | -175 | -51.9 | 0 | 0 | 110.8 | N100 G102 P128 F129 S149 D151 | N100-Q121 PolarHBondContact O-OE1 3.39Å; G102-Q121 CarbonylContact C-O 3.45Å; G102-Q121 WeakPolarHBondContact CA-O 3.44Å; G102-Q121 PolarHBondContact O-N 3.3Å; Q121-P128 WeakPolarHBondContact O-CA 3.39Å; Q121-F129 HydrophobicContact CB-CB 3.98Å; Q121-F129 HydrophobicContact CB-CD2 3.77Å; Q121-F129 HydrophobicContact CB-CE2 4.39Å; Q121-F129 HydrophobicContact CB-CG 3.85Å; Q121-F129 PolarHBondContact O-N 2.96Å; Q121-S149 PolarHBondContact NE2-O 3.44Å; Q121-D151 HydrophobicContact CG-CB 4.46Å | ||
| 122 | Q | 95.6 | Very high | 96 | Very high | 47 Ų | 47 | 52.4 Ų | 52.4 | 22% | 0.22 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 144.6 | 178.4 | -64.6 | -173.6 | -20.7 | 0 | 0 | 111.5 | D103 T127 | D103-Q122 PolarHBondContact OD2-NE2 3.43Å; Q122-T127 CarbonylContact C-O 3.49Å; Q122-T127 WeakPolarHBondContact CA-O 3.4Å |
| 123 | H | 94.8 | Very high | 96 | Very high | 70 Ų | 70 | 51.7 Ų | 51.7 | 32% | 0.324 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | -37.5 | 172.5 | -69.2 | -73.6 | 0 | 0 | 0 | 111.3 | T127 F129 D145 | H123-T127 PolarHBondContact N-O 3Å; H123-F129 AromaticContact CD2-CD2 3.86Å; H123-F129 AromaticContact CE1-CD2 3.91Å; H123-F129 AromaticContact CE1-CE2 3.64Å; H123-F129 AromaticContact CE1-CZ 3.7Å; H123-F129 AromaticContact ND1-CE2 3.77Å; H123-F129 AromaticContact NE2-CD2 3.67Å; H123-F129 AromaticContact NE2-CE2 3.89Å; H123-F129 AromaticContact NE2-CG 3.84Å; H123-D145 IonicContact CD2-OD2 2.59Å; H123-D145 IonicContact CE1-OD1 3.75Å; H123-D145 PolarHBondContact CE1-OD1 2.94Å; H123-D145 IonicContact CE1-OD2 2.57Å; H123-D145 VanDerWaalsContact NE2-CG 3.34Å; H123-D145 IonicContact NE2-OD1 3.95Å; H123-D145 PolarHBondContact NE2-OD1 3.18Å; H123-D145 IonicContact NE2-OD2 3.7Å; H123-D145 PolarHBondContact NE2-OD2 2.9Å |
| 124 | Y | 91.6 | Very high | 95.7 | Very high | 137 Ų | 137 | 46.6 Ų | 46.6 | 54% | 0.537 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 168.4 | 175.3 | 26.9 | -87.3 | 0 | 0 | 0 | 107.9 | N126 T127 | Y124-N126 PolarHBondContact O-N 3.15Å; Y124-T127 HydrophobicContact CD2-CG2 3.92Å; Y124-T127 WeakPolarHBondContact CD2-OG1 3.32Å; Y124-T127 HydrophobicContact CE2-CG2 3.37Å; Y124-T127 WeakPolarHBondContact CE2-OG1 2.97Å; Y124-T127 PolarHBondContact O-N 2.91Å |
| 125 | F | 92.3 | Very high | 95.3 | Very high | 43 Ų | 43 | 46.6 Ų | 46.6 | 19% | 0.189 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.2 | 124.8 | -178.6 | 173.4 | -100.1 | 0 | 0 | 0 | 111.9 | T127 F218 F221 A222 N225 L227 | F125-T127 PolarHBondContact O-N 2.7Å; F125-F218 HydrophobicContact CE1-CE2 4.14Å; F125-F218 HydrophobicContact CE1-CZ 4.09Å; F125-F218 HydrophobicContact CE2-CE2 4.25Å; F125-F218 HydrophobicContact CZ-CD2 4.13Å; F125-F218 HydrophobicContact CZ-CE1 4.42Å; F125-F218 AromaticContact CZ-CE2 3.49Å; F125-F218 HydrophobicContact CZ-CE2 3.49Å; F125-F218 VanDerWaalsContact CZ-CE2 3.49Å; F125-F218 AromaticContact CZ-CZ 3.67Å; F125-F218 HydrophobicContact CZ-CZ 3.67Å; F125-F221 AromaticContact CD2-CD1 3.48Å; F125-F221 HydrophobicContact CD2-CD1 3.48Å; F125-F221 VanDerWaalsContact CD2-CD1 3.48Å; F125-F221 AromaticContact CD2-CE1 3.68Å; F125-F221 HydrophobicContact CD2-CE1 3.68Å; F125-F221 HydrophobicContact CD2-CG 4.22Å; F125-F221 HydrophobicContact CE2-CB 4.26Å; F125-F221 AromaticContact CE2-CD1 3.53Å; F125-F221 HydrophobicContact CE2-CD1 3.53Å; F125-F221 HydrophobicContact CE2-CE1 4.21Å; F125-F221 HydrophobicContact CE2-CG 4.12Å; F125-A222 HydrophobicContact CE1-CB 4.12Å; F125-A222 HydrophobicContact CE2-CB 3.94Å; F125-A222 HydrophobicContact CZ-CB 3.44Å; F125-A222 VanDerWaalsContact CZ-CB 3.44Å; F125-N225 HydrophobicContact CB-CB 4.3Å; F125-N225 HydrophobicContact CD2-CB 4.27Å; F125-N225 HydrophobicContact CG-CB 4.28Å; F125-L227 HydrophobicContact CD1-CD1 3.65Å; F125-L227 HydrophobicContact CE1-CD1 3.49Å; F125-L227 VanDerWaalsContact CE1-CD1 3.49Å; F125-L227 HydrophobicContact CZ-CD1 4.37Å |
| 126 | N | 91.7 | Very high | 94.7 | Very high | 64 Ų | 64 | 48.6 Ų | 48.6 | 34% | 0.342 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | 35.1 | 178.4 | -165.2 | 63.2 | 0 | 0 | 0 | 113.2 | Y124 F218 | Y124-N126 PolarHBondContact O-N 3.15Å; N126-F218 HydrophobicContact CB-CE2 4.06Å; N126-F218 WeakPolarHBondContact OD1-CE2 3.43Å |
| 127 | T | 94.8 | Very high | 94 | Very high | 30 Ų | 30 | 49.2 Ų | 49.2 | 18% | 0.184 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 91.7 | 170.6 | -59 | 0 | 0 | 0 | 0 | 109.6 | Q122 H123 Y124 F125 L143 | Q122-T127 CarbonylContact C-O 3.49Å; Q122-T127 WeakPolarHBondContact CA-O 3.4Å; H123-T127 PolarHBondContact N-O 3Å; Y124-T127 HydrophobicContact CD2-CG2 3.92Å; Y124-T127 WeakPolarHBondContact CD2-OG1 3.32Å; Y124-T127 HydrophobicContact CE2-CG2 3.37Å; Y124-T127 WeakPolarHBondContact CE2-OG1 2.97Å; Y124-T127 PolarHBondContact O-N 2.91Å; F125-T127 PolarHBondContact O-N 2.7Å; T127-L143 HydrophobicContact CG2-CD1 3.43Å; T127-L143 VanDerWaalsContact CG2-CD1 3.43Å |
| 128 | P | 97.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 47.3 Ų | 47.3 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 157.6 | -175.8 | 25.4 | -32.2 | 0 | 0 | 0 | 113.1 | T83 D103 Q121 Q130 | T83-P128 HydrophobicContact CG2-CB 3.81Å; T83-P128 HydrophobicContact CG2-CG 3.85Å; D103-P128 HydrophobicContact CB-CB 4.45Å; D103-P128 VanDerWaalsContact OD1-CB 3.31Å; D103-P128 WeakPolarHBondContact OD1-CB 3.42Å; D103-P128 WeakPolarHBondContact OD2-CB 3.25Å; Q121-P128 WeakPolarHBondContact O-CA 3.39Å; P128-Q130 PolarHBondContact O-NE2 2.78Å; P128-Q130 VanDerWaalsContact O-NE2 3.07Å |
| 129 | F | 98.4 | Very high | 92.7 | Very high | 45 Ų | 45 | 53.9 Ų | 53.9 | 20% | 0.197 | 30% | 0.296 | C | S | . | . | trans | -58 | 136.7 | 157.6 | -81.5 | -124.9 | 0 | 0 | 0 | 109.1 | L101 G102 Q121 H123 D145 | L101-F129 HydrophobicContact CD1-CB 4.09Å; L101-F129 HydrophobicContact CD1-CD1 4.3Å; L101-F129 HydrophobicContact CG-CB 4.13Å; G102-F129 VanDerWaalsContact CA-O 3.22Å; G102-F129 WeakPolarHBondContact CA-O 3.41Å; Q121-F129 HydrophobicContact CB-CB 3.98Å; Q121-F129 HydrophobicContact CB-CD2 3.77Å; Q121-F129 HydrophobicContact CB-CE2 4.39Å; Q121-F129 HydrophobicContact CB-CG 3.85Å; Q121-F129 PolarHBondContact O-N 2.96Å; H123-F129 AromaticContact CD2-CD2 3.86Å; H123-F129 AromaticContact CE1-CD2 3.91Å; H123-F129 AromaticContact CE1-CE2 3.64Å; H123-F129 AromaticContact CE1-CZ 3.7Å; H123-F129 AromaticContact ND1-CE2 3.77Å; H123-F129 AromaticContact NE2-CD2 3.67Å; H123-F129 AromaticContact NE2-CE2 3.89Å; H123-F129 AromaticContact NE2-CG 3.84Å; F129-D145 WeakPolarHBondContact CA-OD2 3.32Å; F129-D145 HydrophobicContact CD1-CB 4.08Å | ||
| 130 | Q | 97.9 | Very high | 91.9 | Very high | 13 Ų | 13 | 52.2 Ų | 52.2 | 6% | 0.061 | 31% | 0.307 | C | S | . | . | trans | -152.4 | 142.3 | -170.5 | 59.8 | -168.6 | -95 | 0 | 0 | 112.2 | V25 S81 S82 P128 L143 D145 | V25-Q130 HydrophobicContact CG2-CB 4.42Å; S81-Q130 VanDerWaalsContact CB-OE1 3.32Å; S81-Q130 PolarHBondContact OG-OE1 2.86Å; S82-Q130 WeakPolarHBondContact O-CA 3.32Å; P128-Q130 PolarHBondContact O-NE2 2.78Å; P128-Q130 VanDerWaalsContact O-NE2 3.07Å; Q130-L143 HydrophobicContact CG-CB 4.35Å; Q130-D145 PolarHBondContact N-OD2 3.28Å; Q130-D145 PolarHBondContact O-N 3.4Å | ||
| 131 | L | 97.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 135.4 | 166.7 | -61.6 | -179.9 | 0 | 0 | 0 | 108.8 | F38 L42 L64 Y68 S81 S82 L101 D145 P147 | F38-L131 HydrophobicContact CE1-CB 4.12Å; F38-L131 WeakPolarHBondContact CE1-O 3.44Å; F38-L131 HydrophobicContact CZ-CB 4.02Å; F38-L131 WeakPolarHBondContact CZ-O 3.23Å; L42-L131 HydrophobicContact CD1-CD1 4.38Å; L42-L131 HydrophobicContact CD2-CD1 4.15Å; L64-L131 HydrophobicContact CD1-CD1 3.63Å; L64-L131 HydrophobicContact CD2-CD1 4.41Å; L64-L131 HydrophobicContact CG-CD1 3.99Å; Y68-L131 HydrophobicContact CD1-CD2 4.05Å; Y68-L131 HydrophobicContact CD2-CB 3.9Å; Y68-L131 HydrophobicContact CD2-CD1 3.98Å; Y68-L131 HydrophobicContact CD2-CD2 4.46Å; Y68-L131 HydrophobicContact CD2-CG 4.34Å; Y68-L131 HydrophobicContact CE1-CD2 4.13Å; Y68-L131 HydrophobicContact CE2-CB 3.82Å; Y68-L131 HydrophobicContact CG-CB 4.45Å; Y68-L131 HydrophobicContact CG-CD1 3.91Å; Y68-L131 HydrophobicContact CG-CD2 4.2Å; Y68-L131 HydrophobicContact CG-CG 4.42Å; S81-L131 CarbonylContact C-O 3.58Å; S81-L131 WeakPolarHBondContact CA-O 3.38Å; S81-L131 WeakPolarHBondContact CB-O 3.11Å; S82-L131 PolarHBondContact N-O 3.15Å; S82-L131 PolarHBondContact O-N 2.96Å; L101-L131 HydrophobicContact CD2-CD1 4.44Å; L101-L131 HydrophobicContact CD2-CD2 3.51Å; L101-L131 HydrophobicContact CD2-CG 3.49Å; L101-L131 VanDerWaalsContact CD2-CG 3.49Å; L131-D145 WeakPolarHBondContact CD2-O 3.47Å; L131-P147 HydrophobicContact CD2-CB 4.42Å; L131-P147 HydrophobicContact CD2-CG 3.75Å |
| 132 | S | 96.7 | Very high | 91 | Very high | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.028 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 136.2 | -172.6 | -51.2 | 0 | 0 | 0 | 0 | 113.6 | Y68 G80 S81 L143 S144 | Y68-S132 PolarHBondContact OH-N 3.24Å; Y68-S132 PolarHBondContact OH-O 3.09Å; G80-S132 WeakPolarHBondContact O-CA 3.17Å; S81-S132 WeakPolarHBondContact CB-OG 3.05Å; S132-L143 WeakPolarHBondContact CB-O 3.22Å; S132-L143 PolarHBondContact OG-O 2.8Å; S132-S144 PolarHBondContact O-OG 3.3Å; S132-S144 VanDerWaalsContact O-OG 3.07Å |
| 133 | I | 95.2 | Very high | 90.8 | Very high | 15 Ų | 15 | 53.4 Ų | 53.4 | 8% | 0.077 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 107.1 | 168.6 | -64 | 171.8 | 0 | 0 | 0 | 107.9 | F38 Y68 L71 L72 L78 L79 G80 | F38-I133 HydrophobicContact CE2-CB 4.17Å; F38-I133 HydrophobicContact CE2-CD1 3.88Å; F38-I133 HydrophobicContact CE2-CG1 3.8Å; Y68-I133 HydrophobicContact CE2-CG1 4.22Å; L71-I133 HydrophobicContact CB-CD1 3.98Å; L72-I133 HydrophobicContact CD2-CD1 4.16Å; L72-I133 HydrophobicContact CD2-CG1 3.7Å; L72-I133 HydrophobicContact CG-CD1 4.36Å; L72-I133 HydrophobicContact CG-CG1 4.32Å; L78-I133 VanDerWaalsContact O-CB 3.31Å; L78-I133 WeakPolarHBondContact O-CB 3.44Å; L79-I133 WeakPolarHBondContact CA-O 3.31Å; L79-I133 HydrophobicContact CD2-CG2 4.26Å; G80-I133 PolarHBondContact N-O 2.87Å; G80-I133 PolarHBondContact O-N 2.98Å |
| 134 | A | 91.8 | Very high | 90.8 | Very high | 26 Ų | 26 | 53 Ų | 53 | 22% | 0.215 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 152.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V142 | A134-V142 HydrophobicContact CB-CB 4.09Å; A134-V142 HydrophobicContact CB-CG2 3.88Å |
| 135 | P | 88.1 | Confident | 91.1 | Very high | 43 Ų | 43 | 47.6 Ų | 47.6 | 28% | 0.279 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -56.1 | 148 | 165.6 | -20.4 | 29.5 | 0 | 0 | 0 | 111.2 | W28 L79 G137 A138 | W28-P135 HydrophobicContact CZ3-CG 4.27Å; L79-P135 HydrophobicContact CD1-CB 4.37Å; L79-P135 HydrophobicContact CD1-CG 4.19Å; P135-G137 PolarHBondContact O-N 3.37Å; P135-A138 HydrophobicContact CB-CB 4.35Å; P135-A138 WeakPolarHBondContact O-CB 3.19Å; P135-A138 PolarHBondContact O-N 3.44Å |
| 136 | P | 85.6 | Confident | 91.3 | Very high | 110 Ų | 110 | 47.9 Ų | 47.9 | 71% | 0.714 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 129.5 | 175.9 | -25.4 | 33.9 | 0 | 0 | 0 | 112 | A138 | P136-A138 VanDerWaalsContact C-N 3.3Š|
| 137 | G | 83.3 | Confident | 91.6 | Very high | 69 Ų | 69 | 44.9 Ų | 44.9 | 71% | 0.711 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 1.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | P135 E139 | P135-G137 PolarHBondContact O-N 3.37Å; G137-E139 WeakPolarHBondContact CA-OE2 3.11Å; G137-E139 PolarHBondContact N-OE1 3.02Å; G137-E139 VanDerWaalsContact N-OE1 3.1Å; G137-E139 PolarHBondContact N-OE2 2.88Å; G137-E139 VanDerWaalsContact N-OE2 3.08Å |
| 138 | A | 85 | Confident | 91.7 | Very high | 28 Ų | 28 | 48.3 Ų | 48.3 | 23% | 0.231 | 32% | 0.322 | C | S | . | . | trans | -107.1 | 18.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P135 P136 G140 A141 | P135-A138 HydrophobicContact CB-CB 4.35Å; P135-A138 WeakPolarHBondContact O-CB 3.19Å; P135-A138 PolarHBondContact O-N 3.44Å; P136-A138 VanDerWaalsContact C-N 3.3Å; A138-G140 PolarHBondContact O-N 3.18Å; A138-A141 HydrophobicContact CB-CB 4.49Å; A138-A141 WeakPolarHBondContact O-CB 3.21Å; A138-A141 PolarHBondContact O-N 3.41Å | ||
| 139 | E | 80.9 | Confident | 91.7 | Very high | 141 Ų | 141 | 50 Ų | 50 | 66% | 0.659 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 127.6 | 177.6 | -56.9 | 85.4 | -176.7 | 0 | 0 | 110.2 | G137 A141 | G137-E139 WeakPolarHBondContact CA-OE2 3.11Å; G137-E139 PolarHBondContact N-OE1 3.02Å; G137-E139 VanDerWaalsContact N-OE1 3.1Å; G137-E139 PolarHBondContact N-OE2 2.88Å; G137-E139 VanDerWaalsContact N-OE2 3.08Å; E139-A141 VanDerWaalsContact C-N 3.29Å; E139-A141 PolarHBondContact O-N 2.85Å |
| 140 | G | 79.6 | Confident | 91.7 | Very high | 82 Ų | 82 | 48.2 Ų | 48.2 | 85% | 0.845 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | -5.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | A138 | A138-G140 PolarHBondContact O-N 3.18Š|
| 141 | A | 83.4 | Confident | 91.7 | Very high | 86 Ų | 86 | 50.2 Ų | 50.2 | 71% | 0.711 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -15.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A138 E139 | A138-A141 HydrophobicContact CB-CB 4.49Å; A138-A141 WeakPolarHBondContact O-CB 3.21Å; A138-A141 PolarHBondContact O-N 3.41Å; E139-A141 VanDerWaalsContact C-N 3.29Å; E139-A141 PolarHBondContact O-N 2.85Å |
| 142 | V | 89 | Confident | 91.6 | Very high | 40 Ų | 40 | 53.8 Ų | 53.8 | 24% | 0.242 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -109.7 | 133.4 | 176.6 | -178 | 0 | 0 | 0 | 0 | 108.1 | W28 A134 S144 | W28-V142 HydrophobicContact CH2-CG1 4.06Å; W28-V142 HydrophobicContact CH2-CG2 4.1Å; W28-V142 HydrophobicContact CZ2-CG1 3.63Å; W28-V142 HydrophobicContact CZ2-CG2 4.48Å; A134-V142 HydrophobicContact CB-CB 4.09Å; A134-V142 HydrophobicContact CB-CG2 3.88Å; V142-S144 PolarHBondContact O-N 3.31Å |
| 143 | L | 92.4 | Very high | 91.6 | Very high | 61 Ų | 61 | 54.6 Ų | 54.6 | 32% | 0.319 | 37% | 0.37 | S | S | . | . | trans | -57.4 | 127.5 | 170.2 | -74 | 169 | 0 | 0 | 0 | 109.3 | T127 Q130 S132 | T127-L143 HydrophobicContact CG2-CD1 3.43Å; T127-L143 VanDerWaalsContact CG2-CD1 3.43Å; Q130-L143 HydrophobicContact CG-CB 4.35Å; S132-L143 WeakPolarHBondContact CB-O 3.22Å; S132-L143 PolarHBondContact OG-O 2.8Å | ||
| 144 | S | 94.2 | Very high | 91.7 | Very high | 63 Ų | 63 | 57.3 Ų | 57.3 | 44% | 0.441 | 39% | 0.39 | S | S | . | . | trans | -148.2 | 112.7 | 177.5 | -169.7 | 0 | 0 | 0 | 0 | 107.8 | Y68 S132 V142 | Y68-S144 PolarHBondContact OH-OG 3.42Å; S132-S144 PolarHBondContact O-OG 3.3Å; S132-S144 VanDerWaalsContact O-OG 3.07Å; V142-S144 PolarHBondContact O-N 3.31Å | ||
| 145 | D | 97.2 | Very high | 91.8 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 12% | 0.118 | 39% | 0.387 | C | S | . | . | trans | -92.4 | 156.1 | 177.8 | -62.6 | -69.7 | 0 | 0 | 0 | 110.3 | L101 H123 F129 Q130 L131 | L101-D145 HydrophobicContact CD1-CB 4.36Å; H123-D145 IonicContact CD2-OD2 2.59Å; H123-D145 IonicContact CE1-OD1 3.75Å; H123-D145 PolarHBondContact CE1-OD1 2.94Å; H123-D145 IonicContact CE1-OD2 2.57Å; H123-D145 VanDerWaalsContact NE2-CG 3.34Å; H123-D145 IonicContact NE2-OD1 3.95Å; H123-D145 PolarHBondContact NE2-OD1 3.18Å; H123-D145 IonicContact NE2-OD2 3.7Å; H123-D145 PolarHBondContact NE2-OD2 2.9Å; F129-D145 WeakPolarHBondContact CA-OD2 3.32Å; F129-D145 HydrophobicContact CD1-CB 4.08Å; Q130-D145 PolarHBondContact N-OD2 3.28Å; Q130-D145 PolarHBondContact O-N 3.4Å; L131-D145 WeakPolarHBondContact CD2-O 3.47Å | ||
| 146 | S | 96.9 | Very high | 92.3 | Very high | 49 Ų | 49 | 60.6 Ų | 60.6 | 34% | 0.343 | 40% | 0.401 | S | S | . | . | trans | -82.8 | 141.8 | 174.1 | 126.6 | 0 | 0 | 0 | 0 | 109.3 | E148 S149 | S146-E148 WeakPolarHBondContact CB-OE2 3.34Å; S146-E148 PolarHBondContact O-N 3.2Å; S146-E148 VanDerWaalsContact O-N 3.08Å; S146-E148 WeakPolarHBondContact OG-CB 3.18Å; S146-E148 PolarHBondContact OG-N 2.91Å; S146-E148 PolarHBondContact OG-OE2 2.84Å; S146-S149 WeakPolarHBondContact O-CB 3.45Å; S146-S149 PolarHBondContact O-N 3.07Å; S146-S149 PolarHBondContact O-OG 3.08Å | ||
| 147 | P | 97.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.013 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -52.5 | -30.2 | 173.8 | -27 | 33.8 | 0 | 0 | 0 | 113.7 | L64 T65 Y68 L131 S149 A150 | L64-P147 HydrophobicContact CD2-CB 4.39Å; L64-P147 HydrophobicContact CG-CB 4.26Å; T65-P147 WeakPolarHBondContact OG1-CB 3.36Å; Y68-P147 HydrophobicContact CD1-CG 3.57Å; Y68-P147 HydrophobicContact CE1-CG 4.36Å; Y68-P147 HydrophobicContact CG-CG 4.22Å; L131-P147 HydrophobicContact CD2-CB 4.42Å; L131-P147 HydrophobicContact CD2-CG 3.75Å; P147-S149 PolarHBondContact O-N 3.47Å; P147-A150 WeakPolarHBondContact O-CB 3.46Å; P147-A150 PolarHBondContact O-N 3.02Å; P147-A150 VanDerWaalsContact O-N 3.11Å |
| 148 | E | 97.3 | Very high | 93.5 | Very high | 101 Ų | 101 | 58.1 Ų | 58.1 | 47% | 0.472 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -69.5 | -10.6 | 177.4 | -60.1 | 67.2 | -146.7 | 0 | 0 | 113.2 | T65 S146 A150 | T65-E148 WeakPolarHBondContact CG2-OE1 3.44Å; T65-E148 PolarHBondContact OG1-OE1 2.78Å; S146-E148 WeakPolarHBondContact CB-OE2 3.34Å; S146-E148 PolarHBondContact O-N 3.2Å; S146-E148 VanDerWaalsContact O-N 3.08Å; S146-E148 WeakPolarHBondContact OG-CB 3.18Å; S146-E148 PolarHBondContact OG-N 2.91Å; S146-E148 PolarHBondContact OG-OE2 2.84Å; E148-A150 VanDerWaalsContact C-N 3.29Å |
| 149 | S | 97.6 | Very high | 94 | Very high | 50 Ų | 50 | 61.9 Ų | 61.9 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | G | 310 helix | trans | -82.9 | -7.3 | 172.3 | -50.5 | 0 | 0 | 0 | 0 | 112.7 | Q121 S146 P147 D151 | Q121-S149 PolarHBondContact NE2-O 3.44Å; S146-S149 WeakPolarHBondContact O-CB 3.45Å; S146-S149 PolarHBondContact O-N 3.07Å; S146-S149 PolarHBondContact O-OG 3.08Å; P147-S149 PolarHBondContact O-N 3.47Å; S149-D151 PolarHBondContact O-N 2.86Å |
| 150 | A | 98.2 | Very high | 94.7 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 7% | 0.066 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -59.1 | 132.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V61 L64 A99 N100 L101 P147 E148 S152 | V61-A150 HydrophobicContact CG2-CB 4.49Å; L64-A150 HydrophobicContact CD2-CB 4.4Å; A99-A150 HydrophobicContact CB-CB 4.23Å; N100-A150 CarbonylContact O-C 3.55Å; N100-A150 VanDerWaalsContact O-CA 3.26Å; N100-A150 WeakPolarHBondContact O-CA 3.19Å; L101-A150 HydrophobicContact CB-CB 4.08Å; L101-A150 HydrophobicContact CD1-CB 4.24Å; P147-A150 WeakPolarHBondContact O-CB 3.46Å; P147-A150 PolarHBondContact O-N 3.02Å; P147-A150 VanDerWaalsContact O-N 3.11Å; E148-A150 VanDerWaalsContact C-N 3.29Å; A150-S152 PolarHBondContact O-N 3.09Å |
| 151 | D | 98.1 | Very high | 95.5 | Very high | 54 Ų | 54 | 53.5 Ų | 53.5 | 29% | 0.289 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 126.7 | 170.1 | -178.1 | 51.9 | 0 | 0 | 0 | 109.4 | A99 N100 Q121 S149 | A99-D151 CarbonylContact C-O 3.57Å; A99-D151 WeakPolarHBondContact CA-O 3.41Å; N100-D151 PolarHBondContact N-O 3.06Å; N100-D151 PolarHBondContact O-N 2.89Å; Q121-D151 HydrophobicContact CG-CB 4.46Å; S149-D151 PolarHBondContact O-N 2.86Å |
| 152 | S | 96.8 | Very high | 96.2 | Very high | 75 Ų | 75 | 50.5 Ų | 50.5 | 52% | 0.524 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 134.2 | -173.5 | 62.5 | 0 | 0 | 0 | 0 | 110.9 | T98 A150 | T98-S152 VanDerWaalsContact O-CA 3.28Å; T98-S152 WeakPolarHBondContact O-CA 3.32Å; T98-S152 WeakPolarHBondContact O-CB 3.48Å; A150-S152 PolarHBondContact O-N 3.09Å |
| 153 | S | 95.9 | Very high | 96.7 | Very high | 21 Ų | 21 | 48.8 Ų | 48.8 | 15% | 0.147 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 157.3 | -177.6 | 82.8 | 0 | 0 | 0 | 0 | 110.9 | H97 T98 H116 | H97-S153 WeakPolarHBondContact CA-O 3.37Å; T98-S153 PolarHBondContact N-O 3Å; T98-S153 PolarHBondContact O-N 2.84Å; T98-S153 PolarHBondContact OG1-N 2.87Å; T98-S153 PolarHBondContact OG1-OG 2.88Å; H116-S153 PolarHBondContact NE2-OG 3.37Å |
| 154 | S | 97.1 | Very high | 97 | Very high | 73 Ų | 73 | 45.9 Ų | 45.9 | 51% | 0.51 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 133.2 | 173.7 | -61.5 | 0 | 0 | 0 | 0 | 109.8 | L96 H97 | L96-S154 VanDerWaalsContact O-CA 3.26Å; L96-S154 WeakPolarHBondContact O-CA 3.14Å; H97-S154 WeakPolarHBondContact ND1-CB 3.38Å; H97-S154 PolarHBondContact ND1-OG 2.91Å |
| 155 | F | 94.8 | Very high | 97.2 | Very high | 33 Ų | 33 | 42.9 Ų | 42.9 | 15% | 0.145 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 157.8 | -179.7 | 58.2 | -88.3 | 0 | 0 | 0 | 112.1 | Q95 L96 F106 V108 H116 V157 | Q95-F155 WeakPolarHBondContact CA-O 3.42Å; L96-F155 HydrophobicContact CB-CD2 4.42Å; L96-F155 HydrophobicContact CB-CE1 4.09Å; L96-F155 HydrophobicContact CB-CE2 3.88Å; L96-F155 HydrophobicContact CB-CZ 3.7Å; L96-F155 HydrophobicContact CD2-CE1 4.03Å; L96-F155 HydrophobicContact CD2-CE2 4.04Å; L96-F155 HydrophobicContact CD2-CZ 3.33Å; L96-F155 HydrophobicContact CG-CZ 4.12Å; L96-F155 PolarHBondContact N-O 2.84Å; L96-F155 PolarHBondContact O-N 3.05Å; L96-F155 VanDerWaalsContact O-N 3.12Å; F106-F155 AromaticContact CE2-CE1 3.92Å; F106-F155 HydrophobicContact CE2-CE1 3.92Å; F106-F155 HydrophobicContact CE2-CZ 4.08Å; F106-F155 HydrophobicContact CZ-CE1 4.31Å; V108-F155 HydrophobicContact CB-CE2 4.2Å; V108-F155 HydrophobicContact CB-CZ 4.23Å; V108-F155 HydrophobicContact CG1-CE2 4.14Å; V108-F155 HydrophobicContact CG2-CE2 3.7Å; V108-F155 HydrophobicContact CG2-CZ 3.36Å; H116-F155 HydrophobicContact CB-CE1 4.26Å; H116-F155 HydrophobicContact CB-CE2 4.47Å; H116-F155 HydrophobicContact CB-CZ 4.15Å; H116-F155 AromaticContact CD2-CE1 3.73Å; H116-F155 AromaticContact CG-CE1 3.77Å; H116-F155 AromaticContact ND1-CD1 3.95Å; F155-V157 HydrophobicContact CE2-CG1 4.28Å |
| 156 | D | 97.3 | Very high | 97.3 | Very high | 105 Ų | 105 | 41.8 Ų | 41.8 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 131 | -178.9 | -57.7 | -37.6 | 0 | 0 | 0 | 111.3 | Q95 R110 | Q95-D156 WeakPolarHBondContact CG-OD1 3.37Å; Q95-D156 PolarHBondContact NE2-OD1 3.06Å; R110-D156 PolarHBondContact NH2-O 3.34Å |
| 157 | V | 96.9 | Very high | 97.4 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 12% | 0.115 | 23% | 0.232 | C | C | . | . | trans | -93.9 | 156.3 | 175 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | L89 H94 L96 F155 D161 V244 | L89-V157 HydrophobicContact CD1-CG1 4.36Å; L89-V157 HydrophobicContact CD1-CG2 3.68Å; H94-V157 VanDerWaalsContact O-CG2 3.25Å; H94-V157 WeakPolarHBondContact O-CG2 3.37Å; H94-V157 PolarHBondContact O-N 3.36Å; L96-V157 HydrophobicContact CB-CG1 3.81Å; F155-V157 HydrophobicContact CE2-CG1 4.28Å; V157-D161 WeakPolarHBondContact CA-OD2 3.15Å; V157-V244 HydrophobicContact CB-CG1 4.35Å; V157-V244 HydrophobicContact CB-CG2 4.09Å; V157-V244 HydrophobicContact CG1-CG2 4.32Å; V157-V244 HydrophobicContact CG2-CG1 4Å; V157-V244 HydrophobicContact CG2-CG2 4.33Å | ||
| 158 | Q | 96.8 | Very high | 97.4 | Very high | 107 Ų | 107 | 39.7 Ų | 39.7 | 50% | 0.5 | 23% | 0.233 | S | C | . | . | trans | -120 | 152 | 173 | -64.3 | -178.8 | 24.9 | 0 | 0 | 110.1 | R110 G160 D161 V244 | R110-Q158 VanDerWaalsContact CZ-CD 3.48Å; R110-Q158 VanDerWaalsContact CZ-NE2 3.35Å; Q158-G160 PolarHBondContact O-N 3.25Å; Q158-D161 PolarHBondContact N-OD2 3.08Å; Q158-D161 VanDerWaalsContact O-CB 3.26Å; Q158-D161 WeakPolarHBondContact O-CB 3.45Å; Q158-D161 VanDerWaalsContact O-CG 3.24Å; Q158-D161 PolarHBondContact O-N 3Å; Q158-V244 WeakPolarHBondContact O-CB 3.17Å; Q158-V244 WeakPolarHBondContact O-CG1 3.44Å | ||
| 159 | L | 95.8 | Very high | 97.4 | Very high | 108 Ų | 108 | 34.9 Ų | 34.9 | 57% | 0.565 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 132.5 | 171 | -67.6 | 175.6 | 0 | 0 | 0 | 109.9 | D161 V244 A245 E246 | L159-D161 VanDerWaalsContact C-N 3.35Å; L159-V244 HydrophobicContact CD2-CG1 4.49Å; L159-A245 VanDerWaalsContact CD2-C 3.46Å; L159-E246 HydrophobicContact CD1-CG 3.68Å; L159-E246 HydrophobicContact CD2-CG 3.93Å; L159-E246 HydrophobicContact CG-CG 4.48Å |
| 160 | G | 95.6 | Very high | 97.5 | Very high | 46 Ų | 46 | 32.5 Ų | 32.5 | 47% | 0.474 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | -4.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q158 I162 V244 | Q158-G160 PolarHBondContact O-N 3.25Å; G160-I162 PolarHBondContact O-N 3.35Å; G160-V244 PolarHBondContact N-O 3.03Å |
| 161 | D | 97.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | trans | -58.8 | 132.5 | 170.4 | -76.7 | -7.2 | 0 | 0 | 0 | 109.8 | V108 R110 V157 Q158 L159 I243 V244 | V108-D161 HydrophobicContact CG1-CB 4.27Å; R110-D161 WeakPolarHBondContact CB-OD1 3.39Å; R110-D161 VanDerWaalsContact CG-OD1 3.23Å; R110-D161 WeakPolarHBondContact CG-OD1 3.38Å; R110-D161 IonicContact CZ-OD1 3.67Å; R110-D161 IonicContact CZ-OD2 3.46Å; R110-D161 IonicContact NE-OD1 2.79Å; R110-D161 PolarHBondContact NE-OD1 2.83Å; R110-D161 IonicContact NE-OD2 3.37Å; R110-D161 PolarHBondContact NE-OD2 3Å; R110-D161 IonicContact NH2-OD1 3.69Å; R110-D161 IonicContact NH2-OD2 2.71Å; R110-D161 PolarHBondContact NH2-OD2 2.86Å; V157-D161 WeakPolarHBondContact CA-OD2 3.15Å; Q158-D161 PolarHBondContact N-OD2 3.08Å; Q158-D161 VanDerWaalsContact O-CB 3.26Å; Q158-D161 WeakPolarHBondContact O-CB 3.45Å; Q158-D161 VanDerWaalsContact O-CG 3.24Å; Q158-D161 PolarHBondContact O-N 3Å; L159-D161 VanDerWaalsContact C-N 3.35Å; D161-I243 CarbonylContact O-C 3.39Å; D161-I243 WeakPolarHBondContact O-CA 3.46Å; D161-V244 HydrophobicContact CB-CB 4.2Å; D161-V244 HydrophobicContact CB-CG2 3.92Å; D161-V244 PolarHBondContact O-N 3.4Å | ||
| 162 | I | 98.1 | Very high | 97.5 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 12% | 0.118 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 126.7 | 175.1 | -56.8 | 173.9 | 0 | 0 | 0 | 107.5 | V108 V109 G160 L183 L186 L241 S242 I243 | V108-I162 WeakPolarHBondContact CA-O 3.13Å; V109-I162 HydrophobicContact CB-CB 4.29Å; V109-I162 PolarHBondContact N-O 3.43Å; V109-I162 PolarHBondContact O-N 3.35Å; G160-I162 PolarHBondContact O-N 3.35Å; I162-L183 HydrophobicContact CG2-CD1 4.48Å; I162-L183 HydrophobicContact CG2-CD2 4.07Å; I162-L186 HydrophobicContact CD1-CD2 3.67Å; I162-L186 HydrophobicContact CG1-CD2 4.33Å; I162-L241 HydrophobicContact CG2-CD1 3.46Å; I162-L241 VanDerWaalsContact CG2-CD1 3.46Å; I162-L241 HydrophobicContact CG2-CG 4.35Å; I162-S242 WeakPolarHBondContact CA-O 3.46Å; I162-I243 HydrophobicContact CG1-CG1 4.45Å |
| 163 | I | 98.3 | Very high | 97.6 | Very high | 3 Ų | 3 | 27 Ų | 27 | 2% | 0.015 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 118.1 | 176.3 | -57.3 | 148.9 | 0 | 0 | 0 | 107.5 | V87 L96 L107 V108 S242 V244 | V87-I163 HydrophobicContact CG1-CG2 4.16Å; L96-I163 HydrophobicContact CD1-CD1 3.66Å; L96-I163 HydrophobicContact CD2-CD1 4.15Å; L96-I163 HydrophobicContact CD2-CG1 4.19Å; L96-I163 HydrophobicContact CD2-CG2 4.23Å; L107-I163 WeakPolarHBondContact O-CA 3.1Å; V108-I163 HydrophobicContact CG2-CG1 4.08Å; I163-S242 WeakPolarHBondContact CB-OG 3.26Å; I163-S242 PolarHBondContact N-O 3.19Å; I163-S242 PolarHBondContact O-N 3.03Å; I163-S242 PolarHBondContact O-OG 3.38Å; I163-V244 HydrophobicContact CD1-CG2 3.73Å |
| 164 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 127.3 | 172.8 | -179.6 | 153.5 | 0 | 0 | 0 | 108.2 | F106 L107 A166 L170 F171 I179 I201 V239 L240 L241 | F106-L164 CarbonylContact C-O 3.49Å; F106-L164 WeakPolarHBondContact CA-O 3.37Å; F106-L164 WeakPolarHBondContact CB-O 3.36Å; L107-L164 HydrophobicContact CB-CB 4.38Å; L107-L164 PolarHBondContact N-O 3.38Å; L107-L164 PolarHBondContact O-N 3.47Å; L164-A166 HydrophobicContact CD2-CB 3.87Å; L164-L170 HydrophobicContact CD1-CD2 4.25Å; L164-L170 HydrophobicContact CD2-CD2 3.66Å; L164-F171 HydrophobicContact CD2-CE1 4.18Å; L164-F171 HydrophobicContact CD2-CZ 4Å; L164-I179 HydrophobicContact CD1-CG2 3.67Å; L164-I201 HydrophobicContact CD1-CD1 3.9Å; L164-I201 HydrophobicContact CD1-CG2 4.44Å; L164-V239 HydrophobicContact CD1-CG1 4.21Å; L164-V239 HydrophobicContact CG-CG1 4.2Å; L164-L240 WeakPolarHBondContact CA-O 3.15Å; L164-L241 HydrophobicContact CB-CD1 4.12Å |
| 165 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 128.7 | 175.3 | -54.6 | 0 | 0 | 0 | 0 | 107.9 | V21 C85 V87 G105 F106 L240 | V21-T165 HydrophobicContact CG1-CG2 4.04Å; V21-T165 HydrophobicContact CG2-CG2 3.78Å; C85-T165 HydrophobicContact CB-CG2 4.48Å; V87-T165 HydrophobicContact CG2-CG2 4.18Å; G105-T165 WeakPolarHBondContact O-CA 3.21Å; F106-T165 HydrophobicContact CB-CG2 4.45Å; T165-L240 PolarHBondContact N-O 2.9Å; T165-L240 PolarHBondContact O-N 3.21Å |
| 166 | A | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 162.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G105 L164 L170 F171 T238 V239 | G105-A166 PolarHBondContact N-O 3.48Å; G105-A166 PolarHBondContact O-N 3.35Å; L164-A166 HydrophobicContact CD2-CB 3.87Å; A166-L170 HydrophobicContact CB-CB 3.95Å; A166-L170 HydrophobicContact CB-CD2 3.52Å; A166-L170 HydrophobicContact CB-CG 4.36Å; A166-F171 HydrophobicContact CB-CE2 3.92Å; A166-F171 HydrophobicContact CB-CZ 3.97Å; A166-T238 WeakPolarHBondContact CA-O 3.37Å; A166-T238 WeakPolarHBondContact CB-O 3.33Å; A166-V239 HydrophobicContact CB-CG2 4.34Å |
| 167 | T | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -80.6 | 166.7 | 168.6 | 49.8 | 0 | 0 | 0 | 0 | 110.8 | D6 V21 D23 G169 L170 T238 | D6-T167 WeakPolarHBondContact OD1-CG2 3.45Å; D6-T167 WeakPolarHBondContact OD2-CG2 3.38Å; D6-T167 PolarHBondContact OD2-OG1 3.46Å; V21-T167 HydrophobicContact CB-CG2 4.06Å; V21-T167 HydrophobicContact CG2-CG2 4.27Å; D23-T167 HydrophobicContact CB-CG2 3.98Å; T167-G169 PolarHBondContact O-N 3.28Å; T167-L170 PolarHBondContact O-N 2.95Å; T167-L170 VanDerWaalsContact O-N 3.15Å; T167-T238 PolarHBondContact N-O 3Å; T167-T238 PolarHBondContact OG1-N 3.06Å | ||
| 168 | D | 98.1 | Very high | 98 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.037 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.5 | -31.3 | -178.1 | 67.3 | -27.2 | 0 | 0 | 0 | 112.3 | D103 L170 F171 D172 K233 | D103-D168 HydrophobicContact CB-CB 4.41Å; D168-L170 CarbonylContact O-C 3.57Å; D168-L170 PolarHBondContact O-N 3.33Å; D168-F171 PolarHBondContact O-N 2.93Å; D168-D172 VanDerWaalsContact O-CB 3.32Å; D168-D172 WeakPolarHBondContact O-CB 3.33Å; D168-D172 PolarHBondContact O-N 2.99Å; D168-K233 IonicContact OD2-NZ 2.7Å; D168-K233 PolarHBondContact OD2-NZ 3.39Å |
| 169 | G | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -53.1 | -25.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.6 | T167 N173 D236 | T167-G169 PolarHBondContact O-N 3.28Å; G169-N173 PolarHBondContact O-ND2 3.19Å; G169-D236 WeakPolarHBondContact CA-O 3.47Å |
| 170 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -76.1 | -57.9 | 165.5 | 175.6 | 63.7 | 0 | 0 | 0 | 111.9 | L164 A166 T167 D168 D172 N173 M174 I179 I201 A205 I237 V239 | L164-L170 HydrophobicContact CD1-CD2 4.25Å; L164-L170 HydrophobicContact CD2-CD2 3.66Å; A166-L170 HydrophobicContact CB-CB 3.95Å; A166-L170 HydrophobicContact CB-CD2 3.52Å; A166-L170 HydrophobicContact CB-CG 4.36Å; T167-L170 PolarHBondContact O-N 2.95Å; T167-L170 VanDerWaalsContact O-N 3.15Å; D168-L170 CarbonylContact O-C 3.57Å; D168-L170 PolarHBondContact O-N 3.33Å; L170-D172 VanDerWaalsContact C-N 3.32Å; L170-D172 PolarHBondContact O-N 3.25Å; L170-N173 PolarHBondContact O-N 3.38Å; L170-N173 VanDerWaalsContact O-N 3.09Å; L170-M174 HydrophobicContact CD1-CB 3.93Å; L170-M174 HydrophobicContact CD1-CG 4.1Å; L170-M174 HydrophobicContact CD1-SD 3.68Å; L170-M174 PolarHBondContact O-N 3.45Å; L170-I179 HydrophobicContact CD2-CD1 4.16Å; L170-I179 HydrophobicContact CG-CD1 4.29Å; L170-I201 HydrophobicContact CD1-CG2 3.55Å; L170-I201 HydrophobicContact CD2-CG2 4.02Å; L170-I201 HydrophobicContact CG-CG2 4.46Å; L170-A205 HydrophobicContact CD1-CB 3.65Å; L170-I237 HydrophobicContact CB-CG2 4.44Å; L170-V239 HydrophobicContact CD2-CG2 4.08Å |
| 171 | F | 98.4 | Very high | 98.4 | Very high | 8 Ų | 8 | 20.2 Ų | 20.2 | 4% | 0.035 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.3 | -31.5 | -168.7 | -62 | -56.5 | 0 | 0 | 0 | 113.2 | L107 R117 L164 A166 D168 N173 I179 P217 | L107-F171 HydrophobicContact CD1-CE1 3.92Å; L107-F171 HydrophobicContact CG-CE1 4.09Å; R117-F171 VanDerWaalsContact NH1-CD1 3.35Å; L164-F171 HydrophobicContact CD2-CE1 4.18Å; L164-F171 HydrophobicContact CD2-CZ 4Å; A166-F171 HydrophobicContact CB-CE2 3.92Å; A166-F171 HydrophobicContact CB-CZ 3.97Å; D168-F171 PolarHBondContact O-N 2.93Å; F171-N173 PolarHBondContact O-N 2.85Å; F171-I179 HydrophobicContact CD1-CD1 4.18Å; F171-I179 HydrophobicContact CE1-CD1 4.19Å; F171-P217 VanDerWaalsContact O-CB 3.3Å; F171-P217 WeakPolarHBondContact O-CB 3.3Å; F171-P217 WeakPolarHBondContact O-CG 3.44Å |
| 172 | D | 98.3 | Very high | 98.4 | Very high | 14 Ų | 14 | 20.7 Ų | 20.7 | 8% | 0.075 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -20.9 | 174.4 | -85.3 | -26.8 | 0 | 0 | 0 | 113.4 | D168 L170 S216 P217 F218 K233 | D168-D172 VanDerWaalsContact O-CB 3.32Å; D168-D172 WeakPolarHBondContact O-CB 3.33Å; D168-D172 PolarHBondContact O-N 2.99Å; L170-D172 VanDerWaalsContact C-N 3.32Å; L170-D172 PolarHBondContact O-N 3.25Å; D172-S216 VanDerWaalsContact O-CB 3.27Å; D172-S216 WeakPolarHBondContact O-CB 3.21Å; D172-S216 PolarHBondContact O-OG 3.37Å; D172-P217 VanDerWaalsContact O-CD 3.27Å; D172-P217 WeakPolarHBondContact O-CD 3.35Å; D172-F218 HydrophobicContact CB-CB 3.8Å; D172-F218 WeakPolarHBondContact O-CB 3.24Å; D172-F218 PolarHBondContact O-N 3.06Å; D172-K233 HydrophobicContact CB-CB 4.34Å; D172-K233 HydrophobicContact CB-CD 3.89Å; D172-K233 WeakPolarHBondContact OD2-CD 3.42Å; D172-K233 WeakPolarHBondContact OD2-CE 3.36Å; D172-K233 IonicContact OD2-NZ 2.61Å; D172-K233 PolarHBondContact OD2-NZ 3.38Å |
| 173 | N | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | -25.8 | -173.7 | -69.3 | -58.8 | 0 | 0 | 0 | 113.5 | G169 L170 F171 L208 A209 Y214 G232 K233 | G169-N173 PolarHBondContact O-ND2 3.19Å; L170-N173 PolarHBondContact O-N 3.38Å; L170-N173 VanDerWaalsContact O-N 3.09Å; F171-N173 PolarHBondContact O-N 2.85Å; N173-L208 HydrophobicContact CB-CB 4.46Å; N173-A209 VanDerWaalsContact OD1-CA 3.32Å; N173-A209 WeakPolarHBondContact OD1-CA 3.45Å; N173-Y214 WeakPolarHBondContact O-CE1 3.32Å; N173-Y214 PolarHBondContact O-OH 3.07Å; N173-G232 WeakPolarHBondContact OD1-CA 3.43Å; N173-K233 PolarHBondContact ND2-O 3.49Å; N173-K233 PolarHBondContact OD1-N 3.44Å |
| 174 | M | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | trans | -124.1 | 115.1 | -178.3 | -72.6 | -172.9 | 67.4 | 0 | 0 | 111.9 | L170 M178 I179 E182 I201 Q204 A205 L208 | L170-M174 HydrophobicContact CD1-CB 3.93Å; L170-M174 HydrophobicContact CD1-CG 4.1Å; L170-M174 HydrophobicContact CD1-SD 3.68Å; L170-M174 PolarHBondContact O-N 3.45Å; M174-M178 HydrophobicContact CE-CB 3.79Å; M174-I179 HydrophobicContact CB-CD1 4.38Å; M174-I179 HydrophobicContact CB-CG1 3.93Å; M174-I179 HydrophobicContact CE-CG1 4.24Å; M174-E182 HydrophobicContact CE-CG 4.05Å; M174-I201 HydrophobicContact SD-CG2 4.4Å; M174-Q204 HydrophobicContact CE-CB 4.24Å; M174-Q204 HydrophobicContact CE-CG 4.05Å; M174-Q204 HydrophobicContact SD-CB 4Å; M174-Q204 HydrophobicContact SD-CG 4.09Å; M174-A205 HydrophobicContact CG-CB 3.94Å; M174-A205 HydrophobicContact SD-CB 3.65Å; M174-A205 PolarHBondContact SD-N 2.95Å; M174-A205 VanDerWaalsContact SD-N 3.37Å; M174-L208 HydrophobicContact CG-CD1 3.78Å | ||
| 175 | P | 97.8 | Very high | 98 | Very high | 31 Ų | 31 | 32.9 Ų | 32.9 | 20% | 0.201 | 15% | 0.151 | C | C | . | . | trans | -70.2 | 156.2 | 170.3 | 30.6 | -35.5 | 0 | 0 | 0 | 110.8 | Y177 M178 I179 Y214 P217 | P175-Y177 HydrophobicContact CB-CD1 3.84Å; P175-Y177 HydrophobicContact CB-CE1 3.7Å; P175-Y177 HydrophobicContact CG-CD1 3.7Å; P175-Y177 HydrophobicContact CG-CE1 3.18Å; P175-Y177 HydrophobicContact CG-CE2 4.47Å; P175-Y177 PolarHBondContact O-N 3.11Å; P175-M178 HydrophobicContact CG-CB 4.42Å; P175-M178 HydrophobicContact CG-CE 4.38Å; P175-M178 HydrophobicContact CG-CG 3.94Å; P175-M178 HydrophobicContact CG-SD 4.34Å; P175-M178 WeakPolarHBondContact O-CB 3.33Å; P175-M178 PolarHBondContact O-N 2.83Å; P175-I179 PolarHBondContact O-N 3.27Å; P175-Y214 VanDerWaalsContact CD-OH 3.28Å; P175-Y214 WeakPolarHBondContact CD-OH 3.35Å; P175-P217 HydrophobicContact CB-CG 4.22Å | ||
| 176 | D | 98.1 | Very high | 97.8 | Very high | 50 Ų | 50 | 34.4 Ų | 34.4 | 27% | 0.267 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -48.6 | -41.6 | -176 | -73.5 | -0.8 | 0 | 0 | 0 | 113.5 | V114 R117 M178 I179 L180 | V114-D176 HydrophobicContact CG2-CB 4.4Å; R117-D176 IonicContact CZ-OD1 3.91Å; R117-D176 IonicContact NH1-OD1 2.89Å; D176-M178 VanDerWaalsContact C-N 3.26Å; D176-M178 PolarHBondContact O-N 3.45Å; D176-I179 PolarHBondContact O-N 2.96Å; D176-I179 VanDerWaalsContact O-N 3.16Å; D176-L180 WeakPolarHBondContact O-CB 3.22Å; D176-L180 VanDerWaalsContact O-CG 3.3Å; D176-L180 WeakPolarHBondContact O-CG 3.37Å; D176-L180 PolarHBondContact O-N 3.01Å |
| 177 | Y | 97.9 | Very high | 97.3 | Very high | 134 Ų | 134 | 42.8 Ų | 42.8 | 53% | 0.525 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.1 | -30.7 | -179.4 | 76.5 | -98 | 0 | 0 | 0 | 113.2 | P175 Q181 | P175-Y177 HydrophobicContact CB-CD1 3.84Å; P175-Y177 HydrophobicContact CB-CE1 3.7Å; P175-Y177 HydrophobicContact CG-CD1 3.7Å; P175-Y177 HydrophobicContact CG-CE1 3.18Å; P175-Y177 HydrophobicContact CG-CE2 4.47Å; P175-Y177 PolarHBondContact O-N 3.11Å; Y177-Q181 VanDerWaalsContact O-CG 3.27Å; Y177-Q181 WeakPolarHBondContact O-CG 3.34Å; Y177-Q181 PolarHBondContact O-N 3.2Å |
| 178 | M | 98.5 | Very high | 96.8 | Very high | 26 Ų | 26 | 46.4 Ų | 46.4 | 13% | 0.128 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.9 | -40.9 | 174.8 | -68.3 | -163.9 | -170.5 | 0 | 0 | 110.8 | M174 P175 D176 L180 Q181 E182 L208 Y214 | M174-M178 HydrophobicContact CE-CB 3.79Å; P175-M178 HydrophobicContact CG-CB 4.42Å; P175-M178 HydrophobicContact CG-CE 4.38Å; P175-M178 HydrophobicContact CG-CG 3.94Å; P175-M178 HydrophobicContact CG-SD 4.34Å; P175-M178 WeakPolarHBondContact O-CB 3.33Å; P175-M178 PolarHBondContact O-N 2.83Å; D176-M178 VanDerWaalsContact C-N 3.26Å; D176-M178 PolarHBondContact O-N 3.45Å; M178-L180 VanDerWaalsContact C-N 3.31Å; M178-L180 PolarHBondContact O-N 3.21Å; M178-Q181 WeakPolarHBondContact O-CB 3.26Å; M178-Q181 PolarHBondContact O-N 3.32Å; M178-Q181 VanDerWaalsContact O-N 3.09Å; M178-E182 PolarHBondContact O-N 3.43Å; M178-E182 VanDerWaalsContact O-N 3.08Å; M178-L208 HydrophobicContact SD-CD1 3.77Å; M178-Y214 HydrophobicContact CE-CE2 4.18Å |
| 179 | I | 98.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.8 | -46.9 | 174 | -61.1 | 174.1 | 0 | 0 | 0 | 109.8 | L107 L164 L170 F171 M174 P175 D176 Q181 E182 L183 | L107-I179 HydrophobicContact CD1-CD1 3.82Å; L107-I179 HydrophobicContact CD1-CG2 4.19Å; L164-I179 HydrophobicContact CD1-CG2 3.67Å; L170-I179 HydrophobicContact CD2-CD1 4.16Å; L170-I179 HydrophobicContact CG-CD1 4.29Å; F171-I179 HydrophobicContact CD1-CD1 4.18Å; F171-I179 HydrophobicContact CE1-CD1 4.19Å; M174-I179 HydrophobicContact CB-CD1 4.38Å; M174-I179 HydrophobicContact CB-CG1 3.93Å; M174-I179 HydrophobicContact CE-CG1 4.24Å; P175-I179 PolarHBondContact O-N 3.27Å; D176-I179 PolarHBondContact O-N 2.96Å; D176-I179 VanDerWaalsContact O-N 3.16Å; I179-Q181 VanDerWaalsContact C-N 3.29Å; I179-Q181 PolarHBondContact O-N 2.83Å; I179-E182 PolarHBondContact O-N 3.24Å; I179-E182 VanDerWaalsContact O-N 3.15Å; I179-L183 HydrophobicContact CG2-CD1 4.06Å; I179-L183 HydrophobicContact CG2-CG 4.38Å; I179-L183 WeakPolarHBondContact O-CG 3.36Å; I179-L183 PolarHBondContact O-N 3.39Å |
| 180 | L | 98.6 | Very high | 96.1 | Very high | 24 Ų | 24 | 53.1 Ų | 53.1 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -34.2 | 175.9 | -68.5 | 177.1 | 0 | 0 | 0 | 112.8 | V109 V114 D176 M178 L183 K184 | V109-L180 HydrophobicContact CB-CD2 4.3Å; V109-L180 HydrophobicContact CG1-CD2 3.62Å; V109-L180 HydrophobicContact CG2-CD2 3.64Å; V114-L180 HydrophobicContact CG2-CD1 4.22Å; V114-L180 HydrophobicContact CG2-CD2 4.09Å; V114-L180 HydrophobicContact CG2-CG 4.32Å; D176-L180 WeakPolarHBondContact O-CB 3.22Å; D176-L180 VanDerWaalsContact O-CG 3.3Å; D176-L180 WeakPolarHBondContact O-CG 3.37Å; D176-L180 PolarHBondContact O-N 3.01Å; M178-L180 VanDerWaalsContact C-N 3.31Å; M178-L180 PolarHBondContact O-N 3.21Å; L180-L183 HydrophobicContact CD2-CD1 4.45Å; L180-L183 PolarHBondContact O-N 2.92Å; L180-K184 WeakPolarHBondContact O-CG 3.24Å; L180-K184 PolarHBondContact O-N 2.83Å; L180-K184 VanDerWaalsContact O-N 3.13Å |
| 181 | Q | 98.2 | Very high | 95.8 | Very high | 101 Ų | 101 | 61.4 Ų | 61.4 | 47% | 0.472 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 174.5 | -76.8 | 172.1 | 15.5 | 0 | 0 | 112.1 | Y177 M178 I179 K184 | Y177-Q181 VanDerWaalsContact O-CG 3.27Å; Y177-Q181 WeakPolarHBondContact O-CG 3.34Å; Y177-Q181 PolarHBondContact O-N 3.2Å; M178-Q181 WeakPolarHBondContact O-CB 3.26Å; M178-Q181 PolarHBondContact O-N 3.32Å; M178-Q181 VanDerWaalsContact O-N 3.09Å; I179-Q181 VanDerWaalsContact C-N 3.29Å; I179-Q181 PolarHBondContact O-N 2.83Å; Q181-K184 PolarHBondContact O-N 2.7Å |
| 182 | E | 98.1 | Very high | 95.7 | Very high | 11 Ų | 11 | 67.8 Ų | 67.8 | 5% | 0.051 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 174.8 | -68.4 | -56.1 | 115.1 | 0 | 0 | 111.9 | M174 M178 I179 K184 K185 S200 I201 Q204 | M174-E182 HydrophobicContact CE-CG 4.05Å; M178-E182 PolarHBondContact O-N 3.43Å; M178-E182 VanDerWaalsContact O-N 3.08Å; I179-E182 PolarHBondContact O-N 3.24Å; I179-E182 VanDerWaalsContact O-N 3.15Å; E182-K184 PolarHBondContact O-N 2.81Å; E182-K185 VanDerWaalsContact O-CB 3.23Å; E182-K185 WeakPolarHBondContact O-CB 3.38Å; E182-K185 WeakPolarHBondContact O-CG 3.17Å; E182-K185 PolarHBondContact O-N 3.47Å; E182-K185 WeakPolarHBondContact OE1-CE 3.44Å; E182-K185 IonicContact OE1-NZ 3.64Å; E182-K185 PolarHBondContact OE1-NZ 2.69Å; E182-K185 WeakPolarHBondContact OE2-CE 3.36Å; E182-K185 IonicContact OE2-NZ 3.19Å; E182-K185 PolarHBondContact OE2-NZ 3.1Å; E182-S200 WeakPolarHBondContact OE2-CB 3.5Å; E182-S200 PolarHBondContact OE2-OG 2.95Å; E182-I201 HydrophobicContact CB-CD1 4.27Å; E182-I201 HydrophobicContact CB-CG1 3.45Å; E182-I201 VanDerWaalsContact CB-CG1 3.45Å; E182-I201 HydrophobicContact CG-CG1 4.06Å; E182-Q204 PolarHBondContact OE1-OE1 3.47Å |
| 183 | L | 97.8 | Very high | 95.6 | Very high | 10 Ų | 10 | 67.6 Ų | 67.6 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.4 | -28 | 177.1 | -69.2 | 176.4 | 0 | 0 | 0 | 112.8 | V109 I162 I179 L180 K185 L186 T197 I201 L241 | V109-L183 HydrophobicContact CB-CD1 4.36Å; V109-L183 HydrophobicContact CG2-CD1 3.79Å; I162-L183 HydrophobicContact CG2-CD1 4.48Å; I162-L183 HydrophobicContact CG2-CD2 4.07Å; I179-L183 HydrophobicContact CG2-CD1 4.06Å; I179-L183 HydrophobicContact CG2-CG 4.38Å; I179-L183 WeakPolarHBondContact O-CG 3.36Å; I179-L183 PolarHBondContact O-N 3.39Å; L180-L183 HydrophobicContact CD2-CD1 4.45Å; L180-L183 PolarHBondContact O-N 2.92Å; L183-K185 PolarHBondContact O-N 2.69Å; L183-L186 WeakPolarHBondContact O-CB 3.47Å; L183-L186 PolarHBondContact O-N 3.35Å; L183-L186 VanDerWaalsContact O-N 3.12Å; L183-T197 HydrophobicContact CD2-CG2 4.13Å; L183-I201 HydrophobicContact CD2-CD1 3.76Å; L183-I201 HydrophobicContact CG-CD1 4.26Å; L183-L241 HydrophobicContact CD2-CD1 3.66Å; L183-L241 HydrophobicContact CD2-CD2 4.13Å |
| 184 | K | 95.6 | Very high | 95.5 | Very high | 159 Ų | 159 | 68.9 Ų | 68.9 | 69% | 0.691 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.4 | 172.4 | -74.4 | 169.1 | -173.9 | 177 | 0 | 113.7 | L180 Q181 E182 L186 | L180-K184 WeakPolarHBondContact O-CG 3.24Å; L180-K184 PolarHBondContact O-N 2.83Å; L180-K184 VanDerWaalsContact O-N 3.13Å; Q181-K184 PolarHBondContact O-N 2.7Å; E182-K184 PolarHBondContact O-N 2.81Å; K184-L186 VanDerWaalsContact C-N 3.26Å |
| 185 | K | 93.4 | Very high | 95.4 | Very high | 113 Ų | 113 | 72.1 Ų | 72.1 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | -13.3 | 175.8 | -57.3 | 178.1 | -174.9 | 169.6 | 0 | 112.6 | E182 L183 K187 | E182-K185 VanDerWaalsContact O-CB 3.23Å; E182-K185 WeakPolarHBondContact O-CB 3.38Å; E182-K185 WeakPolarHBondContact O-CG 3.17Å; E182-K185 PolarHBondContact O-N 3.47Å; E182-K185 WeakPolarHBondContact OE1-CE 3.44Å; E182-K185 IonicContact OE1-NZ 3.64Å; E182-K185 PolarHBondContact OE1-NZ 2.69Å; E182-K185 WeakPolarHBondContact OE2-CE 3.36Å; E182-K185 IonicContact OE2-NZ 3.19Å; E182-K185 PolarHBondContact OE2-NZ 3.1Å; L183-K185 PolarHBondContact O-N 2.69Å; K185-K187 PolarHBondContact O-N 3.04Å; K185-K187 VanDerWaalsContact O-N 3.15Å |
| 186 | L | 93.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 76.1 Ų | 76.1 | 17% | 0.173 | 36% | 0.356 | C | S | . | . | trans | -62.2 | 112.8 | 176.8 | -174 | 71.9 | 0 | 0 | 0 | 109.8 | I162 L183 K184 S193 I194 T197 I243 | I162-L186 HydrophobicContact CD1-CD2 3.67Å; I162-L186 HydrophobicContact CG1-CD2 4.33Å; L183-L186 WeakPolarHBondContact O-CB 3.47Å; L183-L186 PolarHBondContact O-N 3.35Å; L183-L186 VanDerWaalsContact O-N 3.12Å; K184-L186 VanDerWaalsContact C-N 3.26Å; L186-S193 WeakPolarHBondContact CD1-OG 3.19Å; L186-I194 HydrophobicContact CD1-CG1 4.06Å; L186-T197 HydrophobicContact CB-CG2 4.37Å; L186-T197 WeakPolarHBondContact CD1-OG1 3.06Å; L186-I243 HydrophobicContact CD1-CD1 4.45Å; L186-I243 HydrophobicContact CD2-CD1 3.69Å; L186-I243 HydrophobicContact CD2-CG1 4.42Å | ||
| 187 | K | 88.5 | Confident | 95.4 | Very high | 176 Ų | 176 | 74 Ų | 74 | 77% | 0.765 | 35% | 0.345 | S | S | * | . | trans | -84.5 | -37.2 | -172 | -64.4 | 179.6 | -177.4 | 169.9 | 0 | 112.9 | K185 S193 | K185-K187 PolarHBondContact O-N 3.04Å; K185-K187 VanDerWaalsContact O-N 3.15Å; K187-S193 PolarHBondContact N-OG 3.14Å; K187-S193 VanDerWaalsContact N-OG 3.1Å | ||
| 188 | N | 89.9 | Confident | 95.5 | Very high | 76 Ų | 76 | 68 Ų | 68 | 41% | 0.406 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -160.7 | 176.4 | -179 | 60.3 | 53.6 | 0 | 0 | 0 | 109.6 | N190 S193 | N188-N190 VanDerWaalsContact C-N 3.27Å; N188-N190 PolarHBondContact O-N 2.82Å; N188-N190 VanDerWaalsContact OD1-CB 3.23Å; N188-N190 WeakPolarHBondContact OD1-CB 3.25Å; N188-N190 PolarHBondContact OD1-N 2.87Å; N188-N190 PolarHBondContact OD1-ND2 2.67Å; N188-N190 VanDerWaalsContact OD1-ND2 3.13Å; N188-N190 PolarHBondContact OD1-OD1 3.32Å; N188-N190 VanDerWaalsContact OD1-OD1 3.09Å; N188-S193 PolarHBondContact N-OG 2.91Å; N188-S193 WeakPolarHBondContact O-CB 3.29Å; N188-S193 PolarHBondContact O-OG 2.96Å; N188-S193 WeakPolarHBondContact OD1-CB 3.1Å |
| 189 | S | 89.1 | Confident | 95.5 | Very high | 77 Ų | 77 | 73 Ų | 73 | 54% | 0.538 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -86.9 | 16.3 | -177.3 | -45.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 190 | N | 92 | Very high | 95.4 | Very high | 71 Ų | 71 | 74.4 Ų | 74.4 | 38% | 0.38 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -76.7 | 156 | 175.5 | 82 | 19.5 | 0 | 0 | 0 | 111 | N188 E192 S193 I194 | N188-N190 VanDerWaalsContact C-N 3.27Å; N188-N190 PolarHBondContact O-N 2.82Å; N188-N190 VanDerWaalsContact OD1-CB 3.23Å; N188-N190 WeakPolarHBondContact OD1-CB 3.25Å; N188-N190 PolarHBondContact OD1-N 2.87Å; N188-N190 PolarHBondContact OD1-ND2 2.67Å; N188-N190 VanDerWaalsContact OD1-ND2 3.13Å; N188-N190 PolarHBondContact OD1-OD1 3.32Å; N188-N190 VanDerWaalsContact OD1-OD1 3.09Å; N190-E192 VanDerWaalsContact C-N 3.3Å; N190-E192 PolarHBondContact O-N 2.58Å; N190-E192 PolarHBondContact OD1-N 3.03Å; N190-S193 PolarHBondContact O-N 2.82Å; N190-S193 WeakPolarHBondContact OD1-CB 3.07Å; N190-S193 PolarHBondContact OD1-N 3.35Å; N190-I194 WeakPolarHBondContact O-CG1 3.44Å; N190-I194 PolarHBondContact O-N 3.31Å; N190-I194 VanDerWaalsContact O-N 3.08Å |
| 191 | Y | 92.1 | Very high | 95.5 | Very high | 174 Ų | 174 | 73.3 Ų | 73.3 | 68% | 0.682 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -57.2 | -40.3 | -176.5 | 178.2 | -95.7 | 0 | 0 | 0 | 113.2 | I194 Q195 | Y191-I194 PolarHBondContact O-N 3.07Å; Y191-Q195 HydrophobicContact CE1-CB 4.28Å; Y191-Q195 WeakPolarHBondContact O-CB 3.3Å; Y191-Q195 PolarHBondContact O-N 3.24Å; Y191-Q195 PolarHBondContact OH-OE1 2.84Å |
| 192 | E | 95.7 | Very high | 95.5 | Very high | 142 Ų | 142 | 69.6 Ų | 69.6 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.8 | -44.7 | -178.4 | -174.3 | -179.9 | -172.5 | 0 | 0 | 112.1 | N190 Q195 Q196 | N190-E192 VanDerWaalsContact C-N 3.3Å; N190-E192 PolarHBondContact O-N 2.58Å; N190-E192 PolarHBondContact OD1-N 3.03Å; E192-Q195 PolarHBondContact O-N 2.98Å; E192-Q196 VanDerWaalsContact O-CB 3.23Å; E192-Q196 WeakPolarHBondContact O-CB 3.14Å; E192-Q196 PolarHBondContact O-N 3.46Å |
| 193 | S | 96.3 | Very high | 95.5 | Very high | 9 Ų | 9 | 74.5 Ų | 74.5 | 6% | 0.063 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.5 | -44.6 | 176.6 | 176 | 0 | 0 | 0 | 0 | 111.1 | L186 K187 N188 N190 T197 | L186-S193 WeakPolarHBondContact CD1-OG 3.19Å; K187-S193 PolarHBondContact N-OG 3.14Å; K187-S193 VanDerWaalsContact N-OG 3.1Å; N188-S193 PolarHBondContact N-OG 2.91Å; N188-S193 WeakPolarHBondContact O-CB 3.29Å; N188-S193 PolarHBondContact O-OG 2.96Å; N188-S193 WeakPolarHBondContact OD1-CB 3.1Å; N190-S193 PolarHBondContact O-N 2.82Å; N190-S193 WeakPolarHBondContact OD1-CB 3.07Å; N190-S193 PolarHBondContact OD1-N 3.35Å; S193-T197 WeakPolarHBondContact O-CB 2.99Å; S193-T197 PolarHBondContact O-N 3.47Å; S193-T197 PolarHBondContact O-OG1 3.46Å |
| 194 | I | 96.8 | Very high | 95.5 | Very high | 28 Ų | 28 | 76.4 Ų | 76.4 | 14% | 0.144 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.2 | -51.5 | 175.8 | -65.5 | 169.4 | 0 | 0 | 0 | 110.3 | L186 N190 Y191 Q196 T197 A198 L241 I243 | L186-I194 HydrophobicContact CD1-CG1 4.06Å; N190-I194 WeakPolarHBondContact O-CG1 3.44Å; N190-I194 PolarHBondContact O-N 3.31Å; N190-I194 VanDerWaalsContact O-N 3.08Å; Y191-I194 PolarHBondContact O-N 3.07Å; I194-Q196 VanDerWaalsContact C-N 3.34Å; I194-Q196 PolarHBondContact O-N 2.94Å; I194-T197 PolarHBondContact O-N 3.13Å; I194-A198 PolarHBondContact O-N 2.89Å; I194-L241 HydrophobicContact CG2-CB 4Å; I194-L241 HydrophobicContact CG2-CD2 4.08Å; I194-L241 HydrophobicContact CG2-CG 4.1Å; I194-L241 WeakPolarHBondContact CG2-O 3.49Å; I194-I243 HydrophobicContact CD1-CD1 3.67Å; I194-I243 HydrophobicContact CD1-CG1 4.05Å; I194-I243 HydrophobicContact CG1-CD1 3.68Å; I194-I243 HydrophobicContact CG1-CG1 4.27Å |
| 195 | Q | 97.3 | Very high | 95.7 | Very high | 69 Ų | 69 | 68.8 Ų | 68.8 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | -177.5 | -177.9 | 61.4 | 76.6 | 0 | 0 | 112.3 | Y191 E192 R199 | Y191-Q195 HydrophobicContact CE1-CB 4.28Å; Y191-Q195 WeakPolarHBondContact O-CB 3.3Å; Y191-Q195 PolarHBondContact O-N 3.24Å; Y191-Q195 PolarHBondContact OH-OE1 2.84Å; E192-Q195 PolarHBondContact O-N 2.98Å; Q195-R199 WeakPolarHBondContact O-CB 3.12Å; Q195-R199 PolarHBondContact O-N 3.46Å |
| 196 | Q | 98 | Very high | 95.9 | Very high | 114 Ų | 114 | 68 Ų | 68 | 53% | 0.533 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 175.5 | -176.3 | 173.9 | 21.9 | 0 | 0 | 111.2 | E192 I194 R199 S200 | E192-Q196 VanDerWaalsContact O-CB 3.23Å; E192-Q196 WeakPolarHBondContact O-CB 3.14Å; E192-Q196 PolarHBondContact O-N 3.46Å; I194-Q196 VanDerWaalsContact C-N 3.34Å; I194-Q196 PolarHBondContact O-N 2.94Å; Q196-R199 PolarHBondContact O-N 3.36Å; Q196-S200 WeakPolarHBondContact O-CB 3Å; Q196-S200 PolarHBondContact O-N 3.39Å |
| 197 | T | 98.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 71.3 Ų | 71.3 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.6 | -46.6 | 178.1 | -54.7 | 0 | 0 | 0 | 0 | 110.9 | L183 L186 S193 I194 R199 S200 I201 L241 | L183-T197 HydrophobicContact CD2-CG2 4.13Å; L186-T197 HydrophobicContact CB-CG2 4.37Å; L186-T197 WeakPolarHBondContact CD1-OG1 3.06Å; S193-T197 WeakPolarHBondContact O-CB 2.99Å; S193-T197 PolarHBondContact O-N 3.47Å; S193-T197 PolarHBondContact O-OG1 3.46Å; I194-T197 PolarHBondContact O-N 3.13Å; T197-R199 VanDerWaalsContact C-N 3.3Å; T197-R199 PolarHBondContact O-N 3.14Å; T197-S200 WeakPolarHBondContact O-CB 3.34Å; T197-S200 PolarHBondContact O-N 2.96Å; T197-S200 VanDerWaalsContact O-N 3.15Å; T197-I201 HydrophobicContact CG2-CD1 4.16Å; T197-I201 WeakPolarHBondContact O-CG1 3.5Å; T197-I201 PolarHBondContact O-N 3Å; T197-L241 HydrophobicContact CG2-CD2 3.91Å |
| 198 | A | 98.3 | Very high | 96.6 | Very high | 7 Ų | 7 | 64 Ų | 64 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.6 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I194 I201 A202 V239 L241 | I194-A198 PolarHBondContact O-N 2.89Å; A198-I201 PolarHBondContact O-N 3.49Å; A198-A202 PolarHBondContact O-N 3.17Å; A198-A202 VanDerWaalsContact O-N 3.09Å; A198-V239 HydrophobicContact CB-CG1 4.5Å; A198-L241 HydrophobicContact CB-CB 3.87Å; A198-L241 HydrophobicContact CB-CD2 4.4Å |
| 199 | R | 98.4 | Very high | 97 | Very high | 133 Ų | 133 | 60.5 Ų | 60.5 | 50% | 0.502 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 174.7 | -178.6 | 178.8 | -63 | 136.4 | 3.1 | 112 | Q195 Q196 T197 I201 A202 E203 | Q195-R199 WeakPolarHBondContact O-CB 3.12Å; Q195-R199 PolarHBondContact O-N 3.46Å; Q196-R199 PolarHBondContact O-N 3.36Å; T197-R199 VanDerWaalsContact C-N 3.3Å; T197-R199 PolarHBondContact O-N 3.14Å; R199-I201 VanDerWaalsContact C-N 3.28Å; R199-I201 PolarHBondContact O-N 2.61Å; R199-A202 PolarHBondContact O-N 3.06Å; R199-E203 VanDerWaalsContact CD-OE1 3.26Å; R199-E203 WeakPolarHBondContact CD-OE1 3.43Å; R199-E203 HydrophobicContact CG-CG 4.09Å; R199-E203 WeakPolarHBondContact CG-OE1 3.47Å; R199-E203 WeakPolarHBondContact O-CB 3.2Å; R199-E203 WeakPolarHBondContact O-CG 3.38Å; R199-E203 PolarHBondContact O-N 3.42Å |
| 200 | S | 98.5 | Very high | 97.5 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59 | -41.1 | 179.1 | -166.9 | 0 | 0 | 0 | 0 | 111.7 | E182 Q196 T197 Q204 | E182-S200 WeakPolarHBondContact OE2-CB 3.5Å; E182-S200 PolarHBondContact OE2-OG 2.95Å; Q196-S200 WeakPolarHBondContact O-CB 3Å; Q196-S200 PolarHBondContact O-N 3.39Å; T197-S200 WeakPolarHBondContact O-CB 3.34Å; T197-S200 PolarHBondContact O-N 2.96Å; T197-S200 VanDerWaalsContact O-N 3.15Å; S200-Q204 WeakPolarHBondContact O-CB 3.41Å; S200-Q204 PolarHBondContact O-N 3.48Å |
| 201 | I | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.1 | -52.1 | 175 | -66.8 | 163.2 | 0 | 0 | 0 | 110.7 | L164 L170 M174 E182 L183 T197 A198 R199 E203 Q204 A205 V239 | L164-I201 HydrophobicContact CD1-CD1 3.9Å; L164-I201 HydrophobicContact CD1-CG2 4.44Å; L170-I201 HydrophobicContact CD1-CG2 3.55Å; L170-I201 HydrophobicContact CD2-CG2 4.02Å; L170-I201 HydrophobicContact CG-CG2 4.46Å; M174-I201 HydrophobicContact SD-CG2 4.4Å; E182-I201 HydrophobicContact CB-CD1 4.27Å; E182-I201 HydrophobicContact CB-CG1 3.45Å; E182-I201 VanDerWaalsContact CB-CG1 3.45Å; E182-I201 HydrophobicContact CG-CG1 4.06Å; L183-I201 HydrophobicContact CD2-CD1 3.76Å; L183-I201 HydrophobicContact CG-CD1 4.26Å; T197-I201 HydrophobicContact CG2-CD1 4.16Å; T197-I201 WeakPolarHBondContact O-CG1 3.5Å; T197-I201 PolarHBondContact O-N 3Å; A198-I201 PolarHBondContact O-N 3.49Å; R199-I201 VanDerWaalsContact C-N 3.28Å; R199-I201 PolarHBondContact O-N 2.61Å; I201-E203 PolarHBondContact O-N 3.44Å; I201-Q204 PolarHBondContact O-N 3Å; I201-A205 WeakPolarHBondContact O-CB 3.36Å; I201-A205 PolarHBondContact O-N 3.25Å; I201-V239 HydrophobicContact CG2-CG1 4.31Å; I201-V239 HydrophobicContact CG2-CG2 4.26Å |
| 202 | A | 98.6 | Very high | 98 | Very high | 24 Ų | 24 | 59.4 Ų | 59.4 | 20% | 0.198 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -41.4 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | A198 R199 A205 H206 I237 V239 | A198-A202 PolarHBondContact O-N 3.17Å; A198-A202 VanDerWaalsContact O-N 3.09Å; R199-A202 PolarHBondContact O-N 3.06Å; A202-A205 PolarHBondContact O-N 3.35Å; A202-H206 WeakPolarHBondContact O-CB 3.34Å; A202-H206 PolarHBondContact O-N 2.92Å; A202-I237 HydrophobicContact CB-CG2 4.12Å; A202-V239 HydrophobicContact CB-CG2 4.03Å |
| 203 | E | 98.4 | Very high | 98 | Very high | 114 Ų | 114 | 57.5 Ų | 57.5 | 53% | 0.533 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.5 | -41.4 | 176.8 | -75.8 | 174.8 | -179.6 | 0 | 0 | 111.9 | R199 I201 H206 V207 | R199-E203 VanDerWaalsContact CD-OE1 3.26Å; R199-E203 WeakPolarHBondContact CD-OE1 3.43Å; R199-E203 HydrophobicContact CG-CG 4.09Å; R199-E203 WeakPolarHBondContact CG-OE1 3.47Å; R199-E203 WeakPolarHBondContact O-CB 3.2Å; R199-E203 WeakPolarHBondContact O-CG 3.38Å; R199-E203 PolarHBondContact O-N 3.42Å; I201-E203 PolarHBondContact O-N 3.44Å; E203-H206 PolarHBondContact O-N 2.88Å; E203-V207 WeakPolarHBondContact O-CG2 3.25Å; E203-V207 PolarHBondContact O-N 2.96Å |
| 204 | Q | 98.6 | Very high | 98.1 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 23% | 0.229 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 176.9 | -175 | 175 | 6.5 | 0 | 0 | 111.8 | M174 E182 S200 I201 H206 V207 L208 | M174-Q204 HydrophobicContact CE-CB 4.24Å; M174-Q204 HydrophobicContact CE-CG 4.05Å; M174-Q204 HydrophobicContact SD-CB 4Å; M174-Q204 HydrophobicContact SD-CG 4.09Å; E182-Q204 PolarHBondContact OE1-OE1 3.47Å; S200-Q204 WeakPolarHBondContact O-CB 3.41Å; S200-Q204 PolarHBondContact O-N 3.48Å; I201-Q204 PolarHBondContact O-N 3Å; Q204-H206 VanDerWaalsContact C-N 3.3Å; Q204-H206 PolarHBondContact O-N 3.18Å; Q204-V207 PolarHBondContact O-N 3.03Å; Q204-L208 HydrophobicContact CG-CD1 4.11Å; Q204-L208 WeakPolarHBondContact O-CG 3.14Å; Q204-L208 PolarHBondContact O-N 3.05Å |
| 205 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.6 | -44.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L170 M174 I201 A202 V207 L208 A209 I237 | L170-A205 HydrophobicContact CD1-CB 3.65Å; M174-A205 HydrophobicContact CG-CB 3.94Å; M174-A205 HydrophobicContact SD-CB 3.65Å; M174-A205 PolarHBondContact SD-N 2.95Å; M174-A205 VanDerWaalsContact SD-N 3.37Å; I201-A205 WeakPolarHBondContact O-CB 3.36Å; I201-A205 PolarHBondContact O-N 3.25Å; A202-A205 PolarHBondContact O-N 3.35Å; A205-V207 PolarHBondContact O-N 2.57Å; A205-L208 PolarHBondContact O-N 2.82Å; A205-A209 WeakPolarHBondContact O-CB 3.48Å; A205-A209 PolarHBondContact O-N 2.71Å; A205-I237 HydrophobicContact CB-CD1 3.84Å; A205-I237 HydrophobicContact CB-CG2 4.27Å |
| 206 | H | 98.4 | Very high | 98.2 | Very high | 96 Ų | 96 | 57.9 Ų | 57.9 | 44% | 0.444 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.3 | -44.9 | 175.9 | -177.9 | 76.8 | 0 | 0 | 0 | 112.3 | A202 E203 Q204 L208 A209 Y210 I237 | A202-H206 WeakPolarHBondContact O-CB 3.34Å; A202-H206 PolarHBondContact O-N 2.92Å; E203-H206 PolarHBondContact O-N 2.88Å; Q204-H206 VanDerWaalsContact C-N 3.3Å; Q204-H206 PolarHBondContact O-N 3.18Å; H206-L208 VanDerWaalsContact C-N 3.32Å; H206-L208 PolarHBondContact O-N 2.77Å; H206-A209 WeakPolarHBondContact O-CB 3.4Å; H206-A209 PolarHBondContact O-N 3Å; H206-Y210 AromaticContact CE1-CD2 3.9Å; H206-Y210 AromaticContact CE1-CE2 3.35Å; H206-Y210 WeakPolarHBondContact CE1-CE2 3.36Å; H206-Y210 AromaticContact ND1-CE2 3.71Å; H206-Y210 WeakPolarHBondContact O-CD2 3.42Å; H206-I237 HydrophobicContact CB-CD1 3.96Å |
| 207 | V | 98.5 | Very high | 98.2 | Very high | 103 Ų | 103 | 54.4 Ų | 54.4 | 62% | 0.624 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.5 | -44.1 | 176.7 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | E203 Q204 A205 Y210 | E203-V207 WeakPolarHBondContact O-CG2 3.25Å; E203-V207 PolarHBondContact O-N 2.96Å; Q204-V207 PolarHBondContact O-N 3.03Å; A205-V207 PolarHBondContact O-N 2.57Å; V207-Y210 PolarHBondContact O-N 3.31Å |
| 208 | L | 98.6 | Very high | 98.2 | Very high | 23 Ų | 23 | 55.5 Ų | 55.5 | 12% | 0.12 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.3 | -34.7 | 179.5 | -70.4 | 169.2 | 0 | 0 | 0 | 112.4 | N173 M174 M178 Q204 A205 H206 Y210 D211 Y214 G232 | N173-L208 HydrophobicContact CB-CB 4.46Å; M174-L208 HydrophobicContact CG-CD1 3.78Å; M178-L208 HydrophobicContact SD-CD1 3.77Å; Q204-L208 HydrophobicContact CG-CD1 4.11Å; Q204-L208 WeakPolarHBondContact O-CG 3.14Å; Q204-L208 PolarHBondContact O-N 3.05Å; A205-L208 PolarHBondContact O-N 2.82Å; H206-L208 VanDerWaalsContact C-N 3.32Å; H206-L208 PolarHBondContact O-N 2.77Å; L208-Y210 PolarHBondContact O-N 2.96Å; L208-D211 PolarHBondContact O-N 2.59Å; L208-D211 VanDerWaalsContact O-N 3.11Å; L208-Y214 HydrophobicContact CB-CD1 3.96Å; L208-Y214 HydrophobicContact CB-CE1 3.81Å; L208-Y214 HydrophobicContact CD1-CE1 4.29Å; L208-Y214 HydrophobicContact CD2-CD1 4.01Å; L208-Y214 HydrophobicContact CD2-CD2 4.21Å; L208-Y214 HydrophobicContact CD2-CE1 4Å; L208-Y214 HydrophobicContact CD2-CE2 4.23Å; L208-Y214 HydrophobicContact CD2-CG 4.11Å; L208-Y214 HydrophobicContact CG-CE1 4.25Å; L208-G232 WeakPolarHBondContact O-CA 3.41Å |
| 209 | A | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 2% | 0.017 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57.3 | -31 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N173 A205 H206 G232 K233 P234 | N173-A209 VanDerWaalsContact OD1-CA 3.32Å; N173-A209 WeakPolarHBondContact OD1-CA 3.45Å; A205-A209 WeakPolarHBondContact O-CB 3.48Å; A205-A209 PolarHBondContact O-N 2.71Å; H206-A209 WeakPolarHBondContact O-CB 3.4Å; H206-A209 PolarHBondContact O-N 3Å; A209-G232 CarbonylContact O-C 3.59Å; A209-G232 WeakPolarHBondContact O-CA 3.31Å; A209-K233 WeakPolarHBondContact CB-O 3.37Å; A209-P234 WeakPolarHBondContact O-CD 3.36Å; A209-P234 WeakPolarHBondContact O-CG 3.19Å |
| 210 | Y | 98.2 | Very high | 98.1 | Very high | 146 Ų | 146 | 53.1 Ų | 53.1 | 57% | 0.573 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | 5.9 | 179.5 | -70.5 | -87.3 | 0 | 0 | 0 | 114.3 | H206 V207 L208 P212 P234 | H206-Y210 AromaticContact CE1-CD2 3.9Å; H206-Y210 AromaticContact CE1-CE2 3.35Å; H206-Y210 WeakPolarHBondContact CE1-CE2 3.36Å; H206-Y210 AromaticContact ND1-CE2 3.71Å; H206-Y210 WeakPolarHBondContact O-CD2 3.42Å; V207-Y210 PolarHBondContact O-N 3.31Å; L208-Y210 PolarHBondContact O-N 2.96Å; Y210-P212 VanDerWaalsContact O-CD 3.26Å; Y210-P212 WeakPolarHBondContact O-CD 3.41Å; Y210-P234 HydrophobicContact CD1-CB 4.38Å; Y210-P234 HydrophobicContact CD1-CG 4.11Å; Y210-P234 HydrophobicContact CE1-CB 3.82Å; Y210-P234 HydrophobicContact CE1-CG 4Å; Y210-P234 HydrophobicContact CE2-CB 4.32Å |
| 211 | D | 98 | Very high | 97.9 | Very high | 62 Ų | 62 | 55.8 Ų | 55.8 | 33% | 0.332 | 28% | 0.282 | S | S | . | . | trans | -83.1 | 111.3 | 174 | -176.2 | -9.6 | 0 | 0 | 0 | 110.3 | L208 N213 Y214 G231 G232 | L208-D211 PolarHBondContact O-N 2.59Å; L208-D211 VanDerWaalsContact O-N 3.11Å; D211-N213 PolarHBondContact O-N 2.93Å; D211-N213 PolarHBondContact OD1-N 3.33Å; D211-Y214 PolarHBondContact O-N 3.49Å; D211-Y214 PolarHBondContact OD1-N 3.07Å; D211-G231 CarbonylContact O-C 3.51Å; D211-G231 WeakPolarHBondContact O-CA 3.34Å; D211-G232 PolarHBondContact O-N 3.29Å | ||
| 212 | P | 97.3 | Very high | 97.8 | Very high | 90 Ų | 90 | 55.8 Ų | 55.8 | 58% | 0.584 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -13.5 | -178.7 | 31.8 | -37.2 | 0 | 0 | 0 | 113.6 | Y210 | Y210-P212 VanDerWaalsContact O-CD 3.26Å; Y210-P212 WeakPolarHBondContact O-CD 3.41Å |
| 213 | N | 96.6 | Very high | 97.7 | Very high | 102 Ų | 102 | 56.7 Ų | 56.7 | 55% | 0.545 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -10 | -178.5 | -62.5 | -63 | 0 | 0 | 0 | 112.8 | D211 R230 | D211-N213 PolarHBondContact O-N 2.93Å; D211-N213 PolarHBondContact OD1-N 3.33Å; N213-R230 PolarHBondContact O-NE 3.12Å; N213-R230 PolarHBondContact O-NH2 3.44Å |
| 214 | Y | 97.4 | Very high | 97.5 | Very high | 30 Ų | 30 | 56.7 Ų | 56.7 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | trans | -69.5 | 140.7 | 177.4 | 176.7 | -133 | 0 | 0 | 0 | 110.8 | N173 P175 M178 L208 D211 G231 | N173-Y214 WeakPolarHBondContact O-CE1 3.32Å; N173-Y214 PolarHBondContact O-OH 3.07Å; P175-Y214 VanDerWaalsContact CD-OH 3.28Å; P175-Y214 WeakPolarHBondContact CD-OH 3.35Å; M178-Y214 HydrophobicContact CE-CE2 4.18Å; L208-Y214 HydrophobicContact CB-CD1 3.96Å; L208-Y214 HydrophobicContact CB-CE1 3.81Å; L208-Y214 HydrophobicContact CD1-CE1 4.29Å; L208-Y214 HydrophobicContact CD2-CD1 4.01Å; L208-Y214 HydrophobicContact CD2-CD2 4.21Å; L208-Y214 HydrophobicContact CD2-CE1 4Å; L208-Y214 HydrophobicContact CD2-CE2 4.23Å; L208-Y214 HydrophobicContact CD2-CG 4.11Å; L208-Y214 HydrophobicContact CG-CE1 4.25Å; D211-Y214 PolarHBondContact O-N 3.49Å; D211-Y214 PolarHBondContact OD1-N 3.07Å; Y214-G231 CarbonylContact O-C 3.58Å; Y214-G231 WeakPolarHBondContact O-CA 3.39Å; Y214-G231 PolarHBondContact O-N 3.37Å | ||
| 215 | M | 97.5 | Very high | 97.3 | Very high | 85 Ų | 85 | 58.3 Ų | 58.3 | 42% | 0.419 | 30% | 0.3 | S | S | . | . | B | Isolated β-bridge | trans | -97.4 | 86.6 | 168.5 | -168.3 | 63.2 | 76.6 | 0 | 0 | 107 | A219 Q220 R230 | M215-A219 HydrophobicContact SD-CB 3.82Å; M215-Q220 HydrophobicContact CG-CB 4.49Å; M215-R230 HydrophobicContact CE-CG 4.27Å |
| 216 | S | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.334 | C | S | . | . | trans | -70.3 | 161.2 | -178.7 | 73.6 | 0 | 0 | 0 | 0 | 112 | D172 F218 A219 Q220 G231 | D172-S216 VanDerWaalsContact O-CB 3.27Å; D172-S216 WeakPolarHBondContact O-CB 3.21Å; D172-S216 PolarHBondContact O-OG 3.37Å; S216-F218 PolarHBondContact O-N 3.31Å; S216-F218 PolarHBondContact OG-N 2.93Å; S216-A219 PolarHBondContact O-N 2.68Å; S216-A219 VanDerWaalsContact O-N 3.11Å; S216-A219 PolarHBondContact OG-N 3.26Å; S216-Q220 WeakPolarHBondContact O-CB 3.45Å; S216-Q220 PolarHBondContact O-N 2.67Å; S216-G231 PolarHBondContact OG-O 3.45Å; S216-G231 VanDerWaalsContact OG-O 3.05Å | ||
| 217 | P | 98 | Very high | 97 | Very high | 40 Ų | 40 | 60.9 Ų | 60.9 | 26% | 0.26 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -46.9 | -45.6 | 167.6 | -29.6 | 35 | 0 | 0 | 0 | 112.7 | F171 D172 P175 Q220 F221 | F171-P217 VanDerWaalsContact O-CB 3.3Å; F171-P217 WeakPolarHBondContact O-CB 3.3Å; F171-P217 WeakPolarHBondContact O-CG 3.44Å; D172-P217 VanDerWaalsContact O-CD 3.27Å; D172-P217 WeakPolarHBondContact O-CD 3.35Å; P175-P217 HydrophobicContact CB-CG 4.22Å; P217-Q220 PolarHBondContact O-N 3.11Å; P217-F221 WeakPolarHBondContact O-CB 3.38Å; P217-F221 PolarHBondContact O-N 3.05Å |
| 218 | F | 97.9 | Very high | 96.8 | Very high | 30 Ų | 30 | 63.9 Ų | 63.9 | 13% | 0.132 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -58.8 | -51.2 | 174.7 | 174.6 | -96.1 | 0 | 0 | 0 | 112.7 | F125 N126 D172 S216 Q220 F221 A222 V229 K233 | F125-F218 HydrophobicContact CE1-CE2 4.14Å; F125-F218 HydrophobicContact CE1-CZ 4.09Å; F125-F218 HydrophobicContact CE2-CE2 4.25Å; F125-F218 HydrophobicContact CZ-CD2 4.13Å; F125-F218 HydrophobicContact CZ-CE1 4.42Å; F125-F218 AromaticContact CZ-CE2 3.49Å; F125-F218 HydrophobicContact CZ-CE2 3.49Å; F125-F218 VanDerWaalsContact CZ-CE2 3.49Å; F125-F218 AromaticContact CZ-CZ 3.67Å; F125-F218 HydrophobicContact CZ-CZ 3.67Å; N126-F218 HydrophobicContact CB-CE2 4.06Å; N126-F218 WeakPolarHBondContact OD1-CE2 3.43Å; D172-F218 HydrophobicContact CB-CB 3.8Å; D172-F218 WeakPolarHBondContact O-CB 3.24Å; D172-F218 PolarHBondContact O-N 3.06Å; S216-F218 PolarHBondContact O-N 3.31Å; S216-F218 PolarHBondContact OG-N 2.93Å; F218-Q220 VanDerWaalsContact C-N 3.3Å; F218-Q220 PolarHBondContact O-N 3.01Å; F218-F221 PolarHBondContact O-N 2.71Å; F218-A222 WeakPolarHBondContact O-CB 3.43Å; F218-A222 PolarHBondContact O-N 3.1Å; F218-V229 HydrophobicContact CE1-CG1 4.4Å; F218-K233 HydrophobicContact CB-CB 4.2Å; F218-K233 HydrophobicContact CD1-CB 4Å; F218-K233 HydrophobicContact CD1-CG 4.33Å; F218-K233 HydrophobicContact CD2-CD 3.8Å; F218-K233 HydrophobicContact CD2-CG 4.43Å; F218-K233 HydrophobicContact CE2-CD 4.1Å; F218-K233 HydrophobicContact CG-CB 4.01Å; F218-K233 HydrophobicContact CG-CD 4.05Å; F218-K233 HydrophobicContact CG-CG 4.29Å |
| 219 | A | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.6 | -36.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | M215 S216 A222 C223 V229 G231 | M215-A219 HydrophobicContact SD-CB 3.82Å; S216-A219 PolarHBondContact O-N 2.68Å; S216-A219 VanDerWaalsContact O-N 3.11Å; S216-A219 PolarHBondContact OG-N 3.26Å; A219-A222 WeakPolarHBondContact O-CB 3.37Å; A219-A222 PolarHBondContact O-N 3.44Å; A219-C223 PolarHBondContact O-N 3.24Å; A219-C223 PolarHBondContact O-SG 3.12Å; A219-V229 HydrophobicContact CB-CG1 4.5Å; A219-G231 WeakPolarHBondContact CB-O 3.48Å |
| 220 | Q | 97.3 | Very high | 96.4 | Very high | 90 Ų | 90 | 72.6 Ų | 72.6 | 42% | 0.421 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.2 | -47.7 | 173.6 | -175.2 | 60.6 | 66.1 | 0 | 0 | 110.7 | M215 S216 P217 F218 A222 C223 D224 | M215-Q220 HydrophobicContact CG-CB 4.49Å; S216-Q220 WeakPolarHBondContact O-CB 3.45Å; S216-Q220 PolarHBondContact O-N 2.67Å; P217-Q220 PolarHBondContact O-N 3.11Å; F218-Q220 VanDerWaalsContact C-N 3.3Å; F218-Q220 PolarHBondContact O-N 3.01Å; Q220-A222 VanDerWaalsContact C-N 3.31Å; Q220-A222 PolarHBondContact O-N 3.5Å; Q220-C223 WeakPolarHBondContact O-CB 3.41Å; Q220-C223 PolarHBondContact O-N 3.4Å; Q220-C223 VanDerWaalsContact O-N 3.16Å; Q220-D224 PolarHBondContact NE2-OD1 3.45Å; Q220-D224 VanDerWaalsContact NE2-OD1 3.11Å; Q220-D224 VanDerWaalsContact O-CG 3.25Å; Q220-D224 PolarHBondContact O-N 3.11Å |
| 221 | F | 95.4 | Very high | 96.4 | Very high | 86 Ų | 86 | 65.8 Ų | 65.8 | 38% | 0.377 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -65.4 | -35.3 | 178.2 | -169.7 | -133 | 0 | 0 | 0 | 112.3 | F125 P217 F218 D224 N225 | F125-F221 AromaticContact CD2-CD1 3.48Å; F125-F221 HydrophobicContact CD2-CD1 3.48Å; F125-F221 VanDerWaalsContact CD2-CD1 3.48Å; F125-F221 AromaticContact CD2-CE1 3.68Å; F125-F221 HydrophobicContact CD2-CE1 3.68Å; F125-F221 HydrophobicContact CD2-CG 4.22Å; F125-F221 HydrophobicContact CE2-CB 4.26Å; F125-F221 AromaticContact CE2-CD1 3.53Å; F125-F221 HydrophobicContact CE2-CD1 3.53Å; F125-F221 HydrophobicContact CE2-CE1 4.21Å; F125-F221 HydrophobicContact CE2-CG 4.12Å; P217-F221 WeakPolarHBondContact O-CB 3.38Å; P217-F221 PolarHBondContact O-N 3.05Å; F218-F221 PolarHBondContact O-N 2.71Å; F221-D224 PolarHBondContact O-N 2.74Å; F221-N225 WeakPolarHBondContact CD2-ND2 3.22Å; F221-N225 VanDerWaalsContact CE2-ND2 3.31Å; F221-N225 WeakPolarHBondContact CE2-ND2 3.37Å; F221-N225 PolarHBondContact O-N 3.41Å; F221-N225 PolarHBondContact O-ND2 3.08Å |
| 222 | A | 96.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.1 | -45.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | F125 F218 A219 Q220 N225 G226 L227 V229 | F125-A222 HydrophobicContact CE1-CB 4.12Å; F125-A222 HydrophobicContact CE2-CB 3.94Å; F125-A222 HydrophobicContact CZ-CB 3.44Å; F125-A222 VanDerWaalsContact CZ-CB 3.44Å; F218-A222 WeakPolarHBondContact O-CB 3.43Å; F218-A222 PolarHBondContact O-N 3.1Å; A219-A222 WeakPolarHBondContact O-CB 3.37Å; A219-A222 PolarHBondContact O-N 3.44Å; Q220-A222 VanDerWaalsContact C-N 3.31Å; Q220-A222 PolarHBondContact O-N 3.5Å; A222-N225 CarbonylContact O-C 3.2Å; A222-N225 PolarHBondContact O-N 3.24Å; A222-G226 PolarHBondContact O-N 3.28Å; A222-L227 CarbonylContact C-O 3.43Å; A222-L227 HydrophobicContact CB-CB 4.16Å; A222-L227 HydrophobicContact CB-CD1 4.39Å; A222-L227 WeakPolarHBondContact O-CB 3.08Å; A222-L227 PolarHBondContact O-N 3.19Å; A222-V229 HydrophobicContact CB-CB 4.02Å; A222-V229 HydrophobicContact CB-CG2 4.21Å |
| 223 | C | 96.5 | Very high | 96.4 | Very high | 43 Ų | 43 | 60.7 Ų | 60.7 | 29% | 0.291 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 176.1 | -70.4 | 0 | 0 | 0 | 0 | 112.3 | A219 Q220 N225 G226 L227 V229 | A219-C223 PolarHBondContact O-N 3.24Å; A219-C223 PolarHBondContact O-SG 3.12Å; Q220-C223 WeakPolarHBondContact O-CB 3.41Å; Q220-C223 PolarHBondContact O-N 3.4Å; Q220-C223 VanDerWaalsContact O-N 3.16Å; C223-N225 PolarHBondContact O-N 2.97Å; C223-G226 PolarHBondContact O-N 3.29Å; C223-L227 WeakPolarHBondContact CA-O 3.18Å; C223-L227 PolarHBondContact N-O 3.2Å; C223-V229 PolarHBondContact SG-O 3.08Å |
| 224 | D | 95 | Very high | 96.4 | Very high | 114 Ų | 114 | 59.4 Ų | 59.4 | 61% | 0.61 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -65.3 | -26.1 | 177.8 | -63 | -17.7 | 0 | 0 | 0 | 111.8 | Q220 F221 G226 | Q220-D224 PolarHBondContact NE2-OD1 3.45Å; Q220-D224 VanDerWaalsContact NE2-OD1 3.11Å; Q220-D224 VanDerWaalsContact O-CG 3.25Å; Q220-D224 PolarHBondContact O-N 3.11Å; F221-D224 PolarHBondContact O-N 2.74Å; D224-G226 VanDerWaalsContact C-N 3.35Å |
| 225 | N | 94.1 | Very high | 96.3 | Very high | 83 Ų | 83 | 60.1 Ų | 60.1 | 44% | 0.444 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 11.1 | 172 | -74.9 | -84.7 | 0 | 0 | 0 | 113.9 | F125 F221 A222 C223 | F125-N225 HydrophobicContact CB-CB 4.3Å; F125-N225 HydrophobicContact CD2-CB 4.27Å; F125-N225 HydrophobicContact CG-CB 4.28Å; F221-N225 WeakPolarHBondContact CD2-ND2 3.22Å; F221-N225 VanDerWaalsContact CE2-ND2 3.31Å; F221-N225 WeakPolarHBondContact CE2-ND2 3.37Å; F221-N225 PolarHBondContact O-N 3.41Å; F221-N225 PolarHBondContact O-ND2 3.08Å; A222-N225 CarbonylContact O-C 3.2Å; A222-N225 PolarHBondContact O-N 3.24Å; C223-N225 PolarHBondContact O-N 2.97Å |
| 226 | G | 95.3 | Very high | 96.3 | Very high | 69 Ų | 69 | 58.6 Ų | 58.6 | 71% | 0.711 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 9.2 | 173 | 0 | 0 | 0 | 0 | 0 | 115.6 | A222 C223 D224 | A222-G226 PolarHBondContact O-N 3.28Å; C223-G226 PolarHBondContact O-N 3.29Å; D224-G226 VanDerWaalsContact C-N 3.35Å |
| 227 | L | 94.5 | Very high | 96.3 | Very high | 80 Ų | 80 | 60.3 Ų | 60.3 | 42% | 0.419 | 33% | 0.333 | S | S | . | . | trans | -93.4 | 129.4 | 174.4 | -55.9 | 175.9 | 0 | 0 | 0 | 110.3 | F125 A222 C223 V229 | F125-L227 HydrophobicContact CD1-CD1 3.65Å; F125-L227 HydrophobicContact CE1-CD1 3.49Å; F125-L227 VanDerWaalsContact CE1-CD1 3.49Å; F125-L227 HydrophobicContact CZ-CD1 4.37Å; A222-L227 CarbonylContact C-O 3.43Å; A222-L227 HydrophobicContact CB-CB 4.16Å; A222-L227 HydrophobicContact CB-CD1 4.39Å; A222-L227 WeakPolarHBondContact O-CB 3.08Å; A222-L227 PolarHBondContact O-N 3.19Å; C223-L227 WeakPolarHBondContact CA-O 3.18Å; C223-L227 PolarHBondContact N-O 3.2Å; L227-V229 HydrophobicContact CB-CG2 3.99Å; L227-V229 PolarHBondContact O-N 3.33Å; L227-V229 VanDerWaalsContact O-N 3.09Å | ||
| 228 | N | 93.7 | Very high | 96.3 | Very high | 166 Ų | 166 | 59.6 Ų | 59.6 | 89% | 0.888 | 33% | 0.328 | S | S | * | . | trans | -87.3 | 79.3 | 176.9 | -170.5 | 15.9 | 0 | 0 | 0 | 110.6 | ||||
| 229 | V | 93.9 | Very high | 96.4 | Very high | 54 Ų | 54 | 59.2 Ų | 59.2 | 33% | 0.327 | 33% | 0.328 | S | S | . | . | trans | -114.3 | 146 | -177.8 | 179.9 | 0 | 0 | 0 | 0 | 110 | F218 A219 A222 C223 L227 | F218-V229 HydrophobicContact CE1-CG1 4.4Å; A219-V229 HydrophobicContact CB-CG1 4.5Å; A222-V229 HydrophobicContact CB-CB 4.02Å; A222-V229 HydrophobicContact CB-CG2 4.21Å; C223-V229 PolarHBondContact SG-O 3.08Å; L227-V229 HydrophobicContact CB-CG2 3.99Å; L227-V229 PolarHBondContact O-N 3.33Å; L227-V229 VanDerWaalsContact O-N 3.09Å | ||
| 230 | R | 95.9 | Very high | 96.4 | Very high | 154 Ų | 154 | 60 Ų | 60 | 58% | 0.581 | 33% | 0.332 | S | S | * | . | trans | -143.8 | 151.7 | 172.2 | -172.8 | 177.2 | -178.6 | -175.4 | -1 | 109 | N213 M215 | N213-R230 PolarHBondContact O-NE 3.12Å; N213-R230 PolarHBondContact O-NH2 3.44Å; M215-R230 HydrophobicContact CE-CG 4.27Å | ||
| 231 | G | 97.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | 113.8 | 171.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D211 Y214 S216 A219 | D211-G231 CarbonylContact O-C 3.51Å; D211-G231 WeakPolarHBondContact O-CA 3.34Å; Y214-G231 CarbonylContact O-C 3.58Å; Y214-G231 WeakPolarHBondContact O-CA 3.39Å; Y214-G231 PolarHBondContact O-N 3.37Å; S216-G231 PolarHBondContact OG-O 3.45Å; S216-G231 VanDerWaalsContact OG-O 3.05Å; A219-G231 WeakPolarHBondContact CB-O 3.48Å |
| 232 | G | 97.8 | Very high | 96.5 | Very high | 17 Ų | 17 | 54 Ų | 54 | 18% | 0.175 | 31% | 0.309 | C | S | . | . | trans | -68.2 | 171.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | N173 L208 A209 D211 P234 | N173-G232 WeakPolarHBondContact OD1-CA 3.43Å; L208-G232 WeakPolarHBondContact O-CA 3.41Å; A209-G232 CarbonylContact O-C 3.59Å; A209-G232 WeakPolarHBondContact O-CA 3.31Å; D211-G232 PolarHBondContact O-N 3.29Å; G232-P234 WeakPolarHBondContact O-CD 3.46Å | ||
| 233 | K | 97.3 | Very high | 96.5 | Very high | 27 Ų | 27 | 55.4 Ų | 55.4 | 12% | 0.117 | 32% | 0.316 | C | S | . | . | trans | -107.7 | 102.5 | 172.3 | -174.5 | -161.8 | -179.2 | -152.7 | 0 | 108.3 | D168 D172 N173 A209 F218 D235 | D168-K233 IonicContact OD2-NZ 2.7Å; D168-K233 PolarHBondContact OD2-NZ 3.39Å; D172-K233 HydrophobicContact CB-CB 4.34Å; D172-K233 HydrophobicContact CB-CD 3.89Å; D172-K233 WeakPolarHBondContact OD2-CD 3.42Å; D172-K233 WeakPolarHBondContact OD2-CE 3.36Å; D172-K233 IonicContact OD2-NZ 2.61Å; D172-K233 PolarHBondContact OD2-NZ 3.38Å; N173-K233 PolarHBondContact ND2-O 3.49Å; N173-K233 PolarHBondContact OD1-N 3.44Å; A209-K233 WeakPolarHBondContact CB-O 3.37Å; F218-K233 HydrophobicContact CB-CB 4.2Å; F218-K233 HydrophobicContact CD1-CB 4Å; F218-K233 HydrophobicContact CD1-CG 4.33Å; F218-K233 HydrophobicContact CD2-CD 3.8Å; F218-K233 HydrophobicContact CD2-CG 4.43Å; F218-K233 HydrophobicContact CE2-CD 4.1Å; F218-K233 HydrophobicContact CG-CB 4.01Å; F218-K233 HydrophobicContact CG-CD 4.05Å; F218-K233 HydrophobicContact CG-CG 4.29Å; K233-D235 WeakPolarHBondContact CE-OD2 3.12Å; K233-D235 IonicContact NZ-OD2 2.64Å; K233-D235 PolarHBondContact NZ-OD2 3.17Å; K233-D235 PolarHBondContact O-N 2.66Å | ||
| 234 | P | 96.5 | Very high | 96.5 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | trans | -59.2 | 118.7 | 172.2 | -25.2 | 35.5 | 0 | 0 | 0 | 110.5 | A209 Y210 G232 | A209-P234 WeakPolarHBondContact O-CD 3.36Å; A209-P234 WeakPolarHBondContact O-CG 3.19Å; Y210-P234 HydrophobicContact CD1-CB 4.38Å; Y210-P234 HydrophobicContact CD1-CG 4.11Å; Y210-P234 HydrophobicContact CE1-CB 3.82Å; Y210-P234 HydrophobicContact CE1-CG 4Å; Y210-P234 HydrophobicContact CE2-CB 4.32Å; G232-P234 WeakPolarHBondContact O-CD 3.46Å | ||
| 235 | D | 95.8 | Very high | 96.4 | Very high | 46 Ų | 46 | 51.5 Ų | 51.5 | 25% | 0.246 | 30% | 0.301 | C | S | . | . | trans | -152.1 | 169.3 | -177.4 | -136.2 | -24.7 | 0 | 0 | 0 | 111.5 | K233 | K233-D235 WeakPolarHBondContact CE-OD2 3.12Å; K233-D235 IonicContact NZ-OD2 2.64Å; K233-D235 PolarHBondContact NZ-OD2 3.17Å; K233-D235 PolarHBondContact O-N 2.66Å | ||
| 236 | D | 97.3 | Very high | 96 | Very high | 53 Ų | 53 | 54.4 Ų | 54.4 | 28% | 0.283 | 31% | 0.313 | S | S | . | . | trans | -69.6 | 143.7 | 165.3 | -71.5 | -52.6 | 0 | 0 | 0 | 110.1 | G4 D5 D6 G169 | G4-D236 VanDerWaalsContact CA-CG 3.49Å; G4-D236 VanDerWaalsContact CA-OD1 3.3Å; G4-D236 WeakPolarHBondContact CA-OD1 3.25Å; G4-D236 WeakPolarHBondContact CA-OD2 3.48Å; D5-D236 PolarHBondContact N-OD2 3Å; D6-D236 HydrophobicContact CB-CB 4.05Å; G169-D236 WeakPolarHBondContact CA-O 3.47Å | ||
| 237 | I | 98.4 | Very high | 94.8 | Very high | 36 Ų | 36 | 58 Ų | 58 | 19% | 0.185 | 31% | 0.306 | C | S | . | . | trans | -132.4 | 112.8 | -172.5 | -56.4 | 175.7 | 0 | 0 | 0 | 109.6 | D6 L170 A202 A205 H206 V239 | D6-I237 PolarHBondContact OD2-N 3.3Å; L170-I237 HydrophobicContact CB-CG2 4.44Å; A202-I237 HydrophobicContact CB-CG2 4.12Å; A205-I237 HydrophobicContact CB-CD1 3.84Å; A205-I237 HydrophobicContact CB-CG2 4.27Å; H206-I237 HydrophobicContact CB-CD1 3.96Å; I237-V239 HydrophobicContact CG2-CG2 4.18Å | ||
| 238 | T | 98.6 | Very high | 93.2 | Very high | 24 Ų | 24 | 60 Ų | 60 | 15% | 0.147 | 32% | 0.321 | C | S | . | . | trans | -117.7 | 128.8 | 175.8 | -65.1 | 0 | 0 | 0 | 0 | 110.4 | D6 C8 V21 A166 T167 | D6-T238 WeakPolarHBondContact CB-OG1 3.44Å; D6-T238 VanDerWaalsContact OD2-CB 3.24Å; D6-T238 WeakPolarHBondContact OD2-CB 3.4Å; D6-T238 PolarHBondContact OD2-N 3.05Å; D6-T238 VanDerWaalsContact OD2-N 3.1Å; D6-T238 PolarHBondContact OD2-OG1 3.37Å; C8-T238 HydrophobicContact CB-CG2 3.78Å; V21-T238 HydrophobicContact CG1-CG2 3.88Å; A166-T238 WeakPolarHBondContact CA-O 3.37Å; A166-T238 WeakPolarHBondContact CB-O 3.33Å; T167-T238 PolarHBondContact N-O 3Å; T167-T238 PolarHBondContact OG1-N 3.06Å | ||
| 239 | V | 98.7 | Very high | 91.1 | Very high | 23 Ų | 23 | 62.1 Ų | 62.1 | 14% | 0.139 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 119.4 | 179.2 | -175.7 | 0 | 0 | 0 | 0 | 109.8 | L164 A166 L170 A198 I201 A202 I237 | L164-V239 HydrophobicContact CD1-CG1 4.21Å; L164-V239 HydrophobicContact CG-CG1 4.2Å; A166-V239 HydrophobicContact CB-CG2 4.34Å; L170-V239 HydrophobicContact CD2-CG2 4.08Å; A198-V239 HydrophobicContact CB-CG1 4.5Å; I201-V239 HydrophobicContact CG2-CG1 4.31Å; I201-V239 HydrophobicContact CG2-CG2 4.26Å; A202-V239 HydrophobicContact CB-CG2 4.03Å; I237-V239 HydrophobicContact CG2-CG2 4.18Å |
| 240 | L | 98.7 | Very high | 91 | Very high | 15 Ų | 15 | 62.5 Ų | 62.5 | 8% | 0.079 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.9 | 167.2 | -55.9 | -177.4 | 0 | 0 | 0 | 108.8 | C8 I10 L19 V21 L164 T165 | C8-L240 HydrophobicContact CB-CD1 4.17Å; C8-L240 HydrophobicContact CB-CD2 4.1Å; C8-L240 HydrophobicContact CB-CG 4.37Å; I10-L240 HydrophobicContact CD1-CD2 4.2Å; I10-L240 HydrophobicContact CG1-CD1 4.42Å; I10-L240 HydrophobicContact CG1-CD2 4.28Å; L19-L240 HydrophobicContact CB-CD1 4.02Å; L19-L240 HydrophobicContact CD2-CD1 4.29Å; V21-L240 HydrophobicContact CG1-CD1 3.75Å; V21-L240 HydrophobicContact CG1-CG 3.9Å; L164-L240 WeakPolarHBondContact CA-O 3.15Å; T165-L240 PolarHBondContact N-O 2.9Å; T165-L240 PolarHBondContact O-N 3.21Å |
| 241 | L | 98.3 | Very high | 90.7 | Very high | 21 Ų | 21 | 57.7 Ų | 57.7 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 128.8 | 177.5 | -169.1 | 66 | 0 | 0 | 0 | 109.8 | I162 L164 L183 I194 T197 A198 | I162-L241 HydrophobicContact CG2-CD1 3.46Å; I162-L241 VanDerWaalsContact CG2-CD1 3.46Å; I162-L241 HydrophobicContact CG2-CG 4.35Å; L164-L241 HydrophobicContact CB-CD1 4.12Å; L183-L241 HydrophobicContact CD2-CD1 3.66Å; L183-L241 HydrophobicContact CD2-CD2 4.13Å; I194-L241 HydrophobicContact CG2-CB 4Å; I194-L241 HydrophobicContact CG2-CD2 4.08Å; I194-L241 HydrophobicContact CG2-CG 4.1Å; I194-L241 WeakPolarHBondContact CG2-O 3.49Å; T197-L241 HydrophobicContact CG2-CD2 3.91Å; A198-L241 HydrophobicContact CB-CB 3.87Å; A198-L241 HydrophobicContact CB-CD2 4.4Å |
| 242 | S | 96.5 | Very high | 90.3 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 20% | 0.203 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 156.1 | 178.2 | 61.6 | 0 | 0 | 0 | 0 | 111.1 | L19 I162 I163 | L19-S242 WeakPolarHBondContact CD1-OG 3.44Å; I162-S242 WeakPolarHBondContact CA-O 3.46Å; I163-S242 WeakPolarHBondContact CB-OG 3.26Å; I163-S242 PolarHBondContact N-O 3.19Å; I163-S242 PolarHBondContact O-N 3.03Å; I163-S242 PolarHBondContact O-OG 3.38Å |
| 243 | I | 96.5 | Very high | 89.9 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 16% | 0.159 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.9 | 179.3 | -55.4 | 174.9 | 0 | 0 | 0 | 107.7 | D161 I162 L186 I194 A245 | D161-I243 CarbonylContact O-C 3.39Å; D161-I243 WeakPolarHBondContact O-CA 3.46Å; I162-I243 HydrophobicContact CG1-CG1 4.45Å; L186-I243 HydrophobicContact CD1-CD1 4.45Å; L186-I243 HydrophobicContact CD2-CD1 3.69Å; L186-I243 HydrophobicContact CD2-CG1 4.42Å; I194-I243 HydrophobicContact CD1-CD1 3.67Å; I194-I243 HydrophobicContact CD1-CG1 4.05Å; I194-I243 HydrophobicContact CG1-CD1 3.68Å; I194-I243 HydrophobicContact CG1-CG1 4.27Å; I243-A245 PolarHBondContact O-N 3.47Å |
| 244 | V | 95.8 | Very high | 89.4 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 7% | 0.067 | 36% | 0.359 | C | S | . | . | trans | -71.6 | 115 | 170.9 | -178.1 | 0 | 0 | 0 | 0 | 108 | V157 Q158 L159 G160 D161 I163 | V157-V244 HydrophobicContact CB-CG1 4.35Å; V157-V244 HydrophobicContact CB-CG2 4.09Å; V157-V244 HydrophobicContact CG1-CG2 4.32Å; V157-V244 HydrophobicContact CG2-CG1 4Å; V157-V244 HydrophobicContact CG2-CG2 4.33Å; Q158-V244 WeakPolarHBondContact O-CB 3.17Å; Q158-V244 WeakPolarHBondContact O-CG1 3.44Å; L159-V244 HydrophobicContact CD2-CG1 4.49Å; G160-V244 PolarHBondContact N-O 3.03Å; D161-V244 HydrophobicContact CB-CB 4.2Å; D161-V244 HydrophobicContact CB-CG2 3.92Å; D161-V244 PolarHBondContact O-N 3.4Å; I163-V244 HydrophobicContact CD1-CG2 3.73Å | ||
| 245 | A | 92.3 | Very high | 89 | Confident | 63 Ų | 63 | 64.9 Ų | 64.9 | 52% | 0.521 | 35% | 0.35 | S | S | . | . | trans | -130.8 | 162.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L159 I243 Y247 | L159-A245 VanDerWaalsContact CD2-C 3.46Å; I243-A245 PolarHBondContact O-N 3.47Å; A245-Y247 PolarHBondContact O-N 3.23Å | ||
| 246 | E | 86.5 | Confident | 88.5 | Confident | 145 Ų | 145 | 66.2 Ų | 66.2 | 68% | 0.678 | 36% | 0.357 | S | S | * | . | trans | -60.4 | 138.8 | 170.9 | -69.9 | -172.3 | 173.9 | 0 | 0 | 109.6 | L159 T248 | L159-E246 HydrophobicContact CD1-CG 3.68Å; L159-E246 HydrophobicContact CD2-CG 3.93Å; L159-E246 HydrophobicContact CG-CG 4.48Å; E246-T248 PolarHBondContact O-N 3.25Å | ||
| 247 | Y | 69.7 | Low | 87.8 | Confident | 145 Ų | 145 | 67.2 Ų | 67.2 | 57% | 0.569 | 36% | 0.363 | S | S | * | . | trans | -73.5 | 102.5 | 176.4 | -168 | -91.7 | 0 | 0 | 0 | 108.8 | A245 D249 | A245-Y247 PolarHBondContact O-N 3.23Å; Y247-D249 WeakPolarHBondContact CE1-OD1 3.45Å | ||
| 248 | T | 61.7 | Low | 86.9 | Confident | 121 Ų | 121 | 69.8 Ų | 69.8 | 74% | 0.742 | 38% | 0.378 | S | S | * | . | trans | -97 | 117.7 | 169.1 | 55.1 | 0 | 0 | 0 | 0 | 108.6 | E246 | E246-T248 PolarHBondContact O-N 3.25Š| ||
| 249 | D | 49.6 | Very low | 85.8 | Confident | 210 Ų | 210 | 74 Ų | 74 | 100% | 1.123 | 40% | 0.399 | S | S | * | . | trans | -52.9 | 0 | 173.6 | -77 | -42.4 | 0 | 0 | 0 | 113.2 | Y247 | Y247-D249 WeakPolarHBondContact CE1-OD1 3.45Š|
Retrieved 249 of 249 residues in 45.7 ms
(Link to these results)