| 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 | 85.3 | Confident | 95 | Very high | 240 Ų | 240 | 81.8 Ų | 81.8 | 100% | 1.182 | 44% | 0.444 | S | S | * | . | 0 | 145 | 0 | -71.3 | -165.4 | -83.9 | 0 | 0 | 107.7 | P3 | M1-P3 VanDerWaalsContact O-CD 3.27Å; M1-P3 WeakPolarHBondContact O-CD 3.34Å | |||
| 2 | D | 95.4 | Very high | 95.2 | Very high | 72 Ų | 72 | 79.5 Ų | 79.5 | 39% | 0.385 | 43% | 0.43 | S | S | . | . | trans | -105.6 | 91.3 | 179.3 | -176.1 | 27.2 | 0 | 0 | 0 | 109.4 | R14 R15 S16 | D2-R14 WeakPolarHBondContact OD2-CB 3.36Å; D2-R14 WeakPolarHBondContact OD2-CD 3.25Å; D2-R15 WeakPolarHBondContact OD1-CB 3.48Å; D2-R15 PolarHBondContact OD1-N 2.99Å; D2-S16 PolarHBondContact OD1-N 3.32Å; D2-S16 PolarHBondContact OD1-OG 3.35Å; D2-S16 VanDerWaalsContact OD2-CB 3.3Å; D2-S16 WeakPolarHBondContact OD2-CB 3.15Å; D2-S16 PolarHBondContact OD2-OG 2.83Å | ||
| 3 | P | 96.9 | Very high | 95.4 | Very high | 51 Ų | 51 | 73.4 Ų | 73.4 | 33% | 0.331 | 40% | 0.397 | S | S | . | . | trans | -74.4 | 153.5 | -172.4 | 31.5 | -35.8 | 0 | 0 | 0 | 111.7 | M1 R14 R15 | M1-P3 VanDerWaalsContact O-CD 3.27Å; M1-P3 WeakPolarHBondContact O-CD 3.34Å; P3-R14 CarbonylContact O-C 3.55Å; P3-R14 VanDerWaalsContact O-CA 3.29Å; P3-R14 WeakPolarHBondContact O-CA 3.4Å; P3-R15 HydrophobicContact CG-CB 4.11Å; P3-R15 PolarHBondContact O-N 3.03Å | ||
| 4 | V | 97.3 | Very high | 95.6 | Very high | 81 Ų | 81 | 74.6 Ų | 74.6 | 49% | 0.491 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 135.8 | 166.3 | 177.4 | 0 | 0 | 0 | 0 | 108.9 | L12 R14 | V4-L12 HydrophobicContact CB-CD1 4.48Å; V4-L12 HydrophobicContact CG1-CD1 3.57Å; V4-L12 HydrophobicContact CG1-CG 4.4Å; V4-L12 HydrophobicContact CG2-CD1 4.02Å; V4-L12 HydrophobicContact CG2-CD2 4.38Å; V4-L12 HydrophobicContact CG2-CG 4.34Å; V4-R14 HydrophobicContact CG2-CG 4.49Å |
| 5 | V | 97.3 | Very high | 95.8 | Very high | 28 Ų | 28 | 80.3 Ų | 80.3 | 17% | 0.17 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | -31.7 | 174.1 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | L13 R15 V18 I206 D210 | V5-L13 PolarHBondContact N-O 3.4Å; V5-R15 HydrophobicContact CG2-CB 3.98Å; V5-V18 HydrophobicContact CB-CG2 4.08Å; V5-V18 HydrophobicContact CG1-CG2 3.95Å; V5-V18 HydrophobicContact CG2-CG2 4.49Å; V5-I206 HydrophobicContact CG1-CG2 4.06Å; V5-D210 WeakPolarHBondContact O-CB 3.42Å |
| 6 | L | 97.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 78.8 Ų | 78.8 | 5% | 0.047 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 134.2 | 177 | -178.9 | 64.1 | 0 | 0 | 0 | 110.1 | L12 L13 F34 I206 L209 | L6-L12 CarbonylContact O-C 3.31Å; L6-L12 WeakPolarHBondContact O-CA 3.26Å; L6-L13 HydrophobicContact CB-CB 4.22Å; L6-L13 HydrophobicContact CD2-CD1 4.31Å; L6-L13 PolarHBondContact N-O 3.07Å; L6-L13 PolarHBondContact O-N 3.49Å; L6-F34 HydrophobicContact CD2-CD2 4.03Å; L6-F34 HydrophobicContact CD2-CE2 3.44Å; L6-F34 VanDerWaalsContact CD2-CE2 3.44Å; L6-F34 HydrophobicContact CD2-CZ 3.79Å; L6-I206 HydrophobicContact CB-CG2 4.25Å; L6-I206 HydrophobicContact CD2-CG1 4.5Å; L6-I206 HydrophobicContact CD2-CG2 4.2Å; L6-L209 HydrophobicContact CD1-CB 3.87Å; L6-L209 HydrophobicContact CD2-CB 4.3Å; L6-L209 HydrophobicContact CD2-CD1 4.36Å |
| 7 | S | 96.9 | Very high | 96 | Very high | 94 Ų | 94 | 74.8 Ų | 74.8 | 66% | 0.657 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 107.1 | 165.1 | -173 | 0 | 0 | 0 | 0 | 107.2 | ||
| 8 | Y | 95.9 | Very high | 96.1 | Very high | 25 Ų | 25 | 71.4 Ų | 71.4 | 10% | 0.098 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 113.8 | -173.5 | -176.4 | -85.2 | 0 | 0 | 0 | 109.1 | D10 S11 F34 A41 E42 L209 | Y8-D10 PolarHBondContact O-N 2.66Å; Y8-D10 VanDerWaalsContact O-N 3.15Å; Y8-S11 PolarHBondContact N-O 3.12Å; Y8-S11 WeakPolarHBondContact O-CA 3.25Å; Y8-S11 WeakPolarHBondContact O-CB 3.37Å; Y8-S11 PolarHBondContact O-N 2.89Å; Y8-S11 VanDerWaalsContact O-O 3.13Å; Y8-F34 HydrophobicContact CD1-CD2 4.27Å; Y8-F34 HydrophobicContact CD1-CE2 4.08Å; Y8-F34 HydrophobicContact CG-CD2 4.43Å; Y8-F34 HydrophobicContact CG-CE2 4.01Å; Y8-A41 HydrophobicContact CE1-CB 4.27Å; Y8-A41 WeakPolarHBondContact OH-CB 3.43Å; Y8-E42 VanDerWaalsContact CE2-OE1 3.25Å; Y8-E42 WeakPolarHBondContact CE2-OE1 3.48Å; Y8-E42 VanDerWaalsContact OH-CD 3.25Å; Y8-E42 VanDerWaalsContact OH-CG 3.3Å; Y8-E42 WeakPolarHBondContact OH-CG 3.37Å; Y8-E42 PolarHBondContact OH-OE1 3Å; Y8-L209 HydrophobicContact CD2-CD1 4.3Å; Y8-L209 HydrophobicContact CE2-CD1 4.32Å |
| 9 | Q | 93.5 | Very high | 96.2 | Very high | 140 Ų | 140 | 69.7 Ų | 69.7 | 65% | 0.654 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | -117.3 | -174.6 | -55.1 | -65.5 | -14.7 | 0 | 0 | 111.4 | E37 | Q9-E37 WeakPolarHBondContact CB-OE2 3.45Š|
| 10 | D | 92.6 | Very high | 96.3 | Very high | 155 Ų | 155 | 68.3 Ų | 68.3 | 83% | 0.829 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | -8.3 | -179.8 | -64.3 | -46.3 | 0 | 0 | 0 | 112.2 | Y8 E37 | Y8-D10 PolarHBondContact O-N 2.66Å; Y8-D10 VanDerWaalsContact O-N 3.15Å; D10-E37 WeakPolarHBondContact CB-OE1 3.32Å; D10-E37 PolarHBondContact N-OE2 3.1Å; D10-E37 VanDerWaalsContact N-OE2 3.07Å |
| 11 | S | 96 | Very high | 96.4 | Very high | 5 Ų | 5 | 65.2 Ų | 65.2 | 4% | 0.035 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 136.2 | 178.7 | -74.5 | 0 | 0 | 0 | 0 | 113.5 | Y8 F34 E37 | Y8-S11 PolarHBondContact N-O 3.12Å; Y8-S11 WeakPolarHBondContact O-CA 3.25Å; Y8-S11 WeakPolarHBondContact O-CB 3.37Å; Y8-S11 PolarHBondContact O-N 2.89Å; Y8-S11 VanDerWaalsContact O-O 3.13Å; S11-F34 VanDerWaalsContact OG-CA 3.28Å; S11-F34 WeakPolarHBondContact OG-CA 3.3Å; S11-F34 PolarHBondContact OG-N 3.14Å; S11-E37 VanDerWaalsContact CB-OE2 3.26Å; S11-E37 WeakPolarHBondContact CB-OE2 3.41Å; S11-E37 PolarHBondContact N-OE1 3.49Å; S11-E37 PolarHBondContact N-OE2 3.31Å; S11-E37 PolarHBondContact OG-OE1 2.91Å; S11-E37 PolarHBondContact OG-OE2 3.49Å |
| 12 | L | 97.3 | Very high | 96.8 | Very high | 54 Ų | 54 | 59.8 Ų | 59.8 | 28% | 0.283 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 98 | 177.6 | -175.2 | 75.1 | 0 | 0 | 0 | 110.5 | V4 L6 | V4-L12 HydrophobicContact CB-CD1 4.48Å; V4-L12 HydrophobicContact CG1-CD1 3.57Å; V4-L12 HydrophobicContact CG1-CG 4.4Å; V4-L12 HydrophobicContact CG2-CD1 4.02Å; V4-L12 HydrophobicContact CG2-CD2 4.38Å; V4-L12 HydrophobicContact CG2-CG 4.34Å; L6-L12 CarbonylContact O-C 3.31Å; L6-L12 WeakPolarHBondContact O-CA 3.26Å |
| 13 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 129.7 | 178.9 | -55.5 | -175.4 | 0 | 0 | 0 | 111.2 | V5 L6 D17 V18 Q30 F34 I206 | V5-L13 PolarHBondContact N-O 3.4Å; L6-L13 HydrophobicContact CB-CB 4.22Å; L6-L13 HydrophobicContact CD2-CD1 4.31Å; L6-L13 PolarHBondContact N-O 3.07Å; L6-L13 PolarHBondContact O-N 3.49Å; L13-D17 HydrophobicContact CB-CB 4.48Å; L13-D17 HydrophobicContact CD2-CB 4.26Å; L13-V18 HydrophobicContact CB-CG2 4.12Å; L13-V18 HydrophobicContact CD1-CG2 4.37Å; L13-Q30 HydrophobicContact CD2-CB 3.94Å; L13-F34 HydrophobicContact CD1-CB 4.1Å; L13-F34 HydrophobicContact CD1-CD1 3.82Å; L13-F34 HydrophobicContact CD1-CD2 4.31Å; L13-F34 HydrophobicContact CD1-CE1 4.37Å; L13-F34 HydrophobicContact CD1-CG 3.78Å; L13-F34 HydrophobicContact CD2-CB 3.99Å; L13-F34 HydrophobicContact CG-CB 4.26Å; L13-F34 HydrophobicContact CG-CG 4.35Å; L13-I206 HydrophobicContact CD1-CD1 3.68Å; L13-I206 HydrophobicContact CD1-CG1 3.97Å; L13-I206 HydrophobicContact CD1-CG2 4.26Å |
| 14 | R | 98.3 | Very high | 96.1 | Very high | 90 Ų | 90 | 59.8 Ų | 59.8 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 170.1 | 168.9 | -68.5 | 172.8 | -179.3 | 67.8 | 3.1 | 111.1 | D2 P3 V4 S16 D17 V18 | D2-R14 WeakPolarHBondContact OD2-CB 3.36Å; D2-R14 WeakPolarHBondContact OD2-CD 3.25Å; P3-R14 CarbonylContact O-C 3.55Å; P3-R14 VanDerWaalsContact O-CA 3.29Å; P3-R14 WeakPolarHBondContact O-CA 3.4Å; V4-R14 HydrophobicContact CG2-CG 4.49Å; R14-S16 PolarHBondContact O-N 3.24Å; R14-D17 WeakPolarHBondContact CB-OD2 3.34Å; R14-D17 PolarHBondContact N-OD2 3.42Å; R14-D17 WeakPolarHBondContact O-CB 3.14Å; R14-D17 PolarHBondContact O-N 2.93Å; R14-D17 VanDerWaalsContact O-N 3.07Å; R14-V18 WeakPolarHBondContact O-CG2 3.4Å; R14-V18 PolarHBondContact O-N 3.1Å; R14-V18 VanDerWaalsContact O-N 3.09Å |
| 15 | R | 97.7 | Very high | 96.1 | Very high | 160 Ų | 160 | 60.2 Ų | 60.2 | 60% | 0.604 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -55.6 | -40.2 | 176.8 | -175.9 | -176 | -60.7 | -110.7 | -4.7 | 111.6 | D2 P3 V5 D17 V18 A19 | D2-R15 WeakPolarHBondContact OD1-CB 3.48Å; D2-R15 PolarHBondContact OD1-N 2.99Å; P3-R15 HydrophobicContact CG-CB 4.11Å; P3-R15 PolarHBondContact O-N 3.03Å; V5-R15 HydrophobicContact CG2-CB 3.98Å; R15-D17 VanDerWaalsContact C-N 3.35Å; R15-V18 PolarHBondContact O-N 3.15Å; R15-A19 WeakPolarHBondContact O-CB 3.31Å; R15-A19 PolarHBondContact O-N 2.97Å |
| 16 | S | 97.9 | Very high | 96.1 | Very high | 56 Ų | 56 | 64.6 Ų | 64.6 | 39% | 0.392 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 176.4 | 62.3 | 0 | 0 | 0 | 0 | 112.9 | D2 R14 | D2-S16 PolarHBondContact OD1-N 3.32Å; D2-S16 PolarHBondContact OD1-OG 3.35Å; D2-S16 VanDerWaalsContact OD2-CB 3.3Å; D2-S16 WeakPolarHBondContact OD2-CB 3.15Å; D2-S16 PolarHBondContact OD2-OG 2.83Å; R14-S16 PolarHBondContact O-N 3.24Å |
| 17 | D | 98.2 | Very high | 96.2 | Very high | 12 Ų | 12 | 64.4 Ų | 64.4 | 6% | 0.064 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.5 | -48.6 | 177.4 | -55.6 | -53.8 | 0 | 0 | 0 | 111.1 | L13 R14 R15 A19 L20 N28 Q30 V31 | L13-D17 HydrophobicContact CB-CB 4.48Å; L13-D17 HydrophobicContact CD2-CB 4.26Å; R14-D17 WeakPolarHBondContact CB-OD2 3.34Å; R14-D17 PolarHBondContact N-OD2 3.42Å; R14-D17 WeakPolarHBondContact O-CB 3.14Å; R14-D17 PolarHBondContact O-N 2.93Å; R14-D17 VanDerWaalsContact O-N 3.07Å; R15-D17 VanDerWaalsContact C-N 3.35Å; D17-A19 VanDerWaalsContact C-N 3.29Å; D17-A19 PolarHBondContact O-N 3.07Å; D17-L20 VanDerWaalsContact O-CB 3.28Å; D17-L20 WeakPolarHBondContact O-CB 3.43Å; D17-L20 WeakPolarHBondContact O-CG 3.24Å; D17-L20 PolarHBondContact O-N 3.09Å; D17-L20 VanDerWaalsContact O-N 3.08Å; D17-N28 PolarHBondContact OD1-ND2 3.32Å; D17-Q30 HydrophobicContact CB-CB 4.45Å; D17-V31 HydrophobicContact CB-CG2 4.21Å; D17-V31 WeakPolarHBondContact O-CG2 3.29Å |
| 18 | V | 97.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 61.8 Ų | 61.8 | 8% | 0.079 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.9 | -35 | -178.7 | -178 | 0 | 0 | 0 | 0 | 111.4 | V5 L13 R14 R15 L20 L21 I206 | V5-V18 HydrophobicContact CB-CG2 4.08Å; V5-V18 HydrophobicContact CG1-CG2 3.95Å; V5-V18 HydrophobicContact CG2-CG2 4.49Å; L13-V18 HydrophobicContact CB-CG2 4.12Å; L13-V18 HydrophobicContact CD1-CG2 4.37Å; R14-V18 WeakPolarHBondContact O-CG2 3.4Å; R14-V18 PolarHBondContact O-N 3.1Å; R14-V18 VanDerWaalsContact O-N 3.09Å; R15-V18 PolarHBondContact O-N 3.15Å; V18-L20 PolarHBondContact O-N 3.41Å; V18-L21 WeakPolarHBondContact O-CB 3.44Å; V18-L21 PolarHBondContact O-N 3.12Å; V18-I206 HydrophobicContact CG1-CG2 4.4Å; V18-I206 HydrophobicContact CG2-CD1 4.43Å; V18-I206 HydrophobicContact CG2-CG2 3.87Å |
| 19 | A | 97.8 | Very high | 96.3 | Very high | 39 Ų | 39 | 63.7 Ų | 63.7 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.9 | -23.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | R15 D17 L21 E22 | R15-A19 WeakPolarHBondContact O-CB 3.31Å; R15-A19 PolarHBondContact O-N 2.97Å; D17-A19 VanDerWaalsContact C-N 3.29Å; D17-A19 PolarHBondContact O-N 3.07Å; A19-L21 PolarHBondContact O-N 3.38Å; A19-E22 WeakPolarHBondContact O-CB 3.4Å; A19-E22 PolarHBondContact O-N 2.88Å |
| 20 | L | 98.1 | Very high | 96.6 | Very high | 41 Ų | 41 | 59.7 Ų | 59.7 | 22% | 0.215 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18 | 176 | -57 | 175.1 | 0 | 0 | 0 | 113.1 | D17 V18 H25 L27 N28 R199 | D17-L20 VanDerWaalsContact O-CB 3.28Å; D17-L20 WeakPolarHBondContact O-CB 3.43Å; D17-L20 WeakPolarHBondContact O-CG 3.24Å; D17-L20 PolarHBondContact O-N 3.09Å; D17-L20 VanDerWaalsContact O-N 3.08Å; V18-L20 PolarHBondContact O-N 3.41Å; L20-H25 HydrophobicContact CB-CB 4.34Å; L20-H25 HydrophobicContact CD2-CB 3.98Å; L20-L27 HydrophobicContact CB-CD2 4.1Å; L20-N28 HydrophobicContact CD1-CB 3.88Å; L20-R199 PolarHBondContact O-NH1 2.51Å |
| 21 | L | 97.6 | Very high | 96.8 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -24.3 | 174.1 | -68.8 | 164 | 0 | 0 | 0 | 112.2 | V18 A19 G23 L27 V31 M164 W202 C203 I206 | V18-L21 WeakPolarHBondContact O-CB 3.44Å; V18-L21 PolarHBondContact O-N 3.12Å; A19-L21 PolarHBondContact O-N 3.38Å; L21-G23 PolarHBondContact O-N 3.13Å; L21-L27 HydrophobicContact CD2-CD2 3.98Å; L21-L27 HydrophobicContact CG-CD2 4.42Å; L21-V31 HydrophobicContact CD1-CG1 4.38Å; L21-V31 HydrophobicContact CD2-CG1 4.05Å; L21-V31 HydrophobicContact CG-CG1 4.26Å; L21-M164 HydrophobicContact CD2-SD 4.07Å; L21-W202 HydrophobicContact CD1-CB 4.21Å; L21-W202 HydrophobicContact CD2-CB 4.09Å; L21-C203 HydrophobicContact CB-CB 4.29Å; L21-C203 HydrophobicContact CD1-CB 4.32Å; L21-I206 HydrophobicContact CD1-CD1 3.52Å |
| 22 | E | 94.3 | Very high | 97 | Very high | 126 Ų | 126 | 52.1 Ų | 52.1 | 59% | 0.589 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -80 | 66.5 | 175.8 | -59.5 | -178.3 | 179.6 | 0 | 0 | 110.1 | A19 H25 | A19-E22 WeakPolarHBondContact O-CB 3.4Å; A19-E22 PolarHBondContact O-N 2.88Å; E22-H25 PolarHBondContact O-CD2 3.16Å; E22-H25 VanDerWaalsContact O-CD2 3.23Å |
| 23 | G | 84.1 | Confident | 97 | Very high | 38 Ų | 38 | 49.7 Ų | 49.7 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -46.7 | 159.1 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L21 | L21-G23 PolarHBondContact O-N 3.13Š|
| 24 | P | 94.1 | Very high | 97.1 | Very high | 85 Ų | 85 | 49.7 Ų | 49.7 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | S | Bend | cis | -103.5 | 72.2 | 26.6 | 37.4 | -35 | 0 | 0 | 0 | 113.9 | Y160 | P24-Y160 HydrophobicContact CB-CD1 3.58Å; P24-Y160 HydrophobicContact CB-CD2 4.18Å; P24-Y160 HydrophobicContact CB-CE1 3.3Å; P24-Y160 HydrophobicContact CB-CE2 3.96Å; P24-Y160 HydrophobicContact CB-CG 4.01Å |
| 25 | H | 97.3 | Very high | 97.1 | Very high | 90 Ų | 90 | 45.4 Ų | 45.4 | 42% | 0.417 | 24% | 0.237 | S | C | . | . | trans | -112.6 | 146.6 | -175.8 | -59.6 | -51.4 | 0 | 0 | 0 | 111.7 | L20 E22 R199 | L20-H25 HydrophobicContact CB-CB 4.34Å; L20-H25 HydrophobicContact CD2-CB 3.98Å; E22-H25 PolarHBondContact O-CD2 3.16Å; E22-H25 VanDerWaalsContact O-CD2 3.23Å; H25-R199 PolarHBondContact O-NH1 3.46Å; H25-R199 PolarHBondContact O-NH2 3.45Å | ||
| 26 | W | 97.8 | Very high | 97.1 | Very high | 120 Ų | 120 | 37.9 Ų | 37.9 | 46% | 0.455 | 21% | 0.209 | S | C | . | . | trans | -70.8 | 136.4 | 171.9 | -68.1 | 5.9 | 0 | 0 | 0 | 109.1 | S159 | W26-S159 PolarHBondContact NE1-O 2.96Š| ||
| 27 | L | 98.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | trans | -73.6 | 143.1 | 169 | -57.5 | -168.6 | 0 | 0 | 0 | 109.9 | L20 L21 V31 I32 W103 M164 I167 | L20-L27 HydrophobicContact CB-CD2 4.1Å; L21-L27 HydrophobicContact CD2-CD2 3.98Å; L21-L27 HydrophobicContact CG-CD2 4.42Å; L27-V31 HydrophobicContact CD1-CG1 3.99Å; L27-V31 HydrophobicContact CD2-CG1 4.2Å; L27-I32 HydrophobicContact CB-CD1 4.43Å; L27-I32 HydrophobicContact CB-CG1 4.31Å; L27-W103 PolarHBondContact O-NE1 2.58Å; L27-M164 HydrophobicContact CD1-CG 3.91Å; L27-M164 HydrophobicContact CD1-SD 3.69Å; L27-M164 HydrophobicContact CG-CG 4.44Å; L27-I167 HydrophobicContact CD1-CD1 3.67Å | ||
| 28 | N | 98.1 | Very high | 97.1 | Very high | 40 Ų | 40 | 38.1 Ų | 38.1 | 21% | 0.214 | 20% | 0.202 | C | C | . | . | trans | -92.3 | -179.5 | 169.9 | 66.7 | -4.8 | 0 | 0 | 0 | 111.1 | D17 L20 Q30 V31 I32 | D17-N28 PolarHBondContact OD1-ND2 3.32Å; L20-N28 HydrophobicContact CD1-CB 3.88Å; N28-Q30 VanDerWaalsContact C-N 3.34Å; N28-Q30 PolarHBondContact OD1-N 3.25Å; N28-V31 WeakPolarHBondContact OD1-CG2 3.44Å; N28-V31 PolarHBondContact OD1-N 3.37Å; N28-V31 VanDerWaalsContact OD1-N 3.15Å; N28-I32 WeakPolarHBondContact O-CG1 3.34Å; N28-I32 PolarHBondContact O-N 3.02Å | ||
| 29 | D | 98.1 | Very high | 97.2 | Very high | 64 Ų | 64 | 37.5 Ų | 37.5 | 34% | 0.342 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56.4 | -45 | 173.3 | 44.9 | 10.3 | 0 | 0 | 0 | 112.3 | V31 I32 G33 P56 W103 | D29-V31 PolarHBondContact O-N 3Å; D29-I32 PolarHBondContact O-N 2.85Å; D29-I32 VanDerWaalsContact O-N 3.15Å; D29-G33 PolarHBondContact O-N 2.85Å; D29-P56 HydrophobicContact CB-CB 3.74Å; D29-P56 HydrophobicContact CB-CG 4.19Å; D29-W103 HydrophobicContact CB-CH2 4.4Å |
| 30 | Q | 98.3 | Very high | 97.2 | Very high | 56 Ų | 56 | 38.2 Ų | 38.2 | 26% | 0.262 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -56 | -46.6 | -177.4 | -64.4 | -63.4 | -11.1 | 0 | 0 | 113.3 | L13 D17 N28 F34 | L13-Q30 HydrophobicContact CD2-CB 3.94Å; D17-Q30 HydrophobicContact CB-CB 4.45Å; N28-Q30 VanDerWaalsContact C-N 3.34Å; N28-Q30 PolarHBondContact OD1-N 3.25Å; Q30-F34 WeakPolarHBondContact O-CB 3.38Å; Q30-F34 PolarHBondContact O-N 2.93Å |
| 31 | V | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.1 | -38.6 | -179.8 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | D17 L21 L27 N28 D29 A35 I167 | D17-V31 HydrophobicContact CB-CG2 4.21Å; D17-V31 WeakPolarHBondContact O-CG2 3.29Å; L21-V31 HydrophobicContact CD1-CG1 4.38Å; L21-V31 HydrophobicContact CD2-CG1 4.05Å; L21-V31 HydrophobicContact CG-CG1 4.26Å; L27-V31 HydrophobicContact CD1-CG1 3.99Å; L27-V31 HydrophobicContact CD2-CG1 4.2Å; N28-V31 WeakPolarHBondContact OD1-CG2 3.44Å; N28-V31 PolarHBondContact OD1-N 3.37Å; N28-V31 VanDerWaalsContact OD1-N 3.15Å; D29-V31 PolarHBondContact O-N 3Å; V31-A35 PolarHBondContact O-N 3.06Å; V31-A35 VanDerWaalsContact O-N 3.12Å; V31-I167 HydrophobicContact CG1-CD1 4.47Å |
| 32 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.1 | -41.1 | 179 | -61.2 | 169.7 | 0 | 0 | 0 | 110.8 | L27 N28 D29 A35 F36 P56 A89 W103 V166 I167 | L27-I32 HydrophobicContact CB-CD1 4.43Å; L27-I32 HydrophobicContact CB-CG1 4.31Å; N28-I32 WeakPolarHBondContact O-CG1 3.34Å; N28-I32 PolarHBondContact O-N 3.02Å; D29-I32 PolarHBondContact O-N 2.85Å; D29-I32 VanDerWaalsContact O-N 3.15Å; I32-A35 PolarHBondContact O-N 3.15Å; I32-F36 HydrophobicContact CG2-CE1 4.46Å; I32-F36 PolarHBondContact O-N 2.96Å; I32-P56 HydrophobicContact CB-CG 3.9Å; I32-P56 HydrophobicContact CG2-CG 3.82Å; I32-A89 HydrophobicContact CG2-CB 3.78Å; I32-W103 HydrophobicContact CD1-CD2 3.57Å; I32-W103 HydrophobicContact CD1-CE3 4.01Å; I32-W103 HydrophobicContact CD1-CG 3.83Å; I32-W103 HydrophobicContact CD1-CZ2 4.15Å; I32-W103 HydrophobicContact CD1-CZ3 4.46Å; I32-V166 HydrophobicContact CG2-CG1 4.25Å; I32-I167 HydrophobicContact CG1-CD1 4.27Å; I32-I167 HydrophobicContact CG1-CG1 4.42Å |
| 33 | G | 98.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.1 | -49.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | D29 A35 F36 E37 | D29-G33 PolarHBondContact O-N 2.85Å; G33-A35 VanDerWaalsContact C-N 3.31Å; G33-A35 PolarHBondContact O-N 3.07Å; G33-F36 WeakPolarHBondContact O-CB 3.44Å; G33-F36 PolarHBondContact O-N 2.88Å; G33-F36 VanDerWaalsContact O-N 3.11Å; G33-E37 PolarHBondContact O-N 2.82Å |
| 34 | F | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.5 | -44.8 | 173.4 | 165.1 | -107.1 | 0 | 0 | 0 | 112.4 | L6 Y8 S11 L13 Q30 F36 E37 Y38 W202 I206 L209 | L6-F34 HydrophobicContact CD2-CD2 4.03Å; L6-F34 HydrophobicContact CD2-CE2 3.44Å; L6-F34 VanDerWaalsContact CD2-CE2 3.44Å; L6-F34 HydrophobicContact CD2-CZ 3.79Å; Y8-F34 HydrophobicContact CD1-CD2 4.27Å; Y8-F34 HydrophobicContact CD1-CE2 4.08Å; Y8-F34 HydrophobicContact CG-CD2 4.43Å; Y8-F34 HydrophobicContact CG-CE2 4.01Å; S11-F34 VanDerWaalsContact OG-CA 3.28Å; S11-F34 WeakPolarHBondContact OG-CA 3.3Å; S11-F34 PolarHBondContact OG-N 3.14Å; L13-F34 HydrophobicContact CD1-CB 4.1Å; L13-F34 HydrophobicContact CD1-CD1 3.82Å; L13-F34 HydrophobicContact CD1-CD2 4.31Å; L13-F34 HydrophobicContact CD1-CE1 4.37Å; L13-F34 HydrophobicContact CD1-CG 3.78Å; L13-F34 HydrophobicContact CD2-CB 3.99Å; L13-F34 HydrophobicContact CG-CB 4.26Å; L13-F34 HydrophobicContact CG-CG 4.35Å; Q30-F34 WeakPolarHBondContact O-CB 3.38Å; Q30-F34 PolarHBondContact O-N 2.93Å; F34-F36 VanDerWaalsContact C-N 3.31Å; F34-F36 PolarHBondContact O-N 2.65Å; F34-E37 PolarHBondContact O-N 2.73Å; F34-Y38 WeakPolarHBondContact O-CB 3.36Å; F34-Y38 PolarHBondContact O-N 2.91Å; F34-W202 HydrophobicContact CD1-CE3 4.28Å; F34-W202 HydrophobicContact CD1-CZ3 4.03Å; F34-W202 AromaticContact CE1-CE3 3.76Å; F34-W202 HydrophobicContact CE1-CE3 3.76Å; F34-W202 AromaticContact CE1-CZ3 3.57Å; F34-W202 HydrophobicContact CE1-CZ3 3.57Å; F34-W202 HydrophobicContact CZ-CZ3 4.36Å; F34-I206 HydrophobicContact CD1-CD1 4.29Å; F34-I206 HydrophobicContact CD1-CG1 4.21Å; F34-I206 HydrophobicContact CE1-CD1 4.01Å; F34-I206 HydrophobicContact CE1-CG1 3.5Å; F34-I206 VanDerWaalsContact CE1-CG1 3.5Å; F34-I206 HydrophobicContact CZ-CG1 3.97Å; F34-L209 HydrophobicContact CE2-CD1 4.15Å; F34-L209 HydrophobicContact CZ-CD1 3.81Å |
| 35 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61 | -42 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | V31 I32 G33 Y38 F39 I167 W202 | V31-A35 PolarHBondContact O-N 3.06Å; V31-A35 VanDerWaalsContact O-N 3.12Å; I32-A35 PolarHBondContact O-N 3.15Å; G33-A35 VanDerWaalsContact C-N 3.31Å; G33-A35 PolarHBondContact O-N 3.07Å; A35-Y38 PolarHBondContact O-N 3.46Å; A35-F39 WeakPolarHBondContact O-CB 3.43Å; A35-F39 WeakPolarHBondContact O-CD1 3.46Å; A35-F39 WeakPolarHBondContact O-CD2 3.45Å; A35-F39 WeakPolarHBondContact O-CG 3.35Å; A35-F39 PolarHBondContact O-N 2.81Å; A35-I167 HydrophobicContact CB-CD1 3.87Å; A35-I167 HydrophobicContact CB-CG1 3.83Å; A35-I167 HydrophobicContact CB-CG2 3.94Å; A35-W202 HydrophobicContact CB-CE3 4.49Å; A35-W202 HydrophobicContact CB-CH2 3.44Å; A35-W202 VanDerWaalsContact CB-CH2 3.44Å; A35-W202 HydrophobicContact CB-CZ2 3.88Å; A35-W202 HydrophobicContact CB-CZ3 3.79Å |
| 36 | F | 98.7 | Very high | 97.9 | Very high | 3 Ų | 3 | 39.5 Ų | 39.5 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.3 | -38.9 | 177.2 | -84.9 | 21.7 | 0 | 0 | 0 | 112.6 | I32 G33 F34 F39 A40 F53 I54 F87 A89 L105 V166 A170 | I32-F36 HydrophobicContact CG2-CE1 4.46Å; I32-F36 PolarHBondContact O-N 2.96Å; G33-F36 WeakPolarHBondContact O-CB 3.44Å; G33-F36 PolarHBondContact O-N 2.88Å; G33-F36 VanDerWaalsContact O-N 3.11Å; F34-F36 VanDerWaalsContact C-N 3.31Å; F34-F36 PolarHBondContact O-N 2.65Å; F36-F39 HydrophobicContact CD1-CD2 4.08Å; F36-F39 HydrophobicContact CD1-CE2 4.26Å; F36-F39 WeakPolarHBondContact O-CB 3.44Å; F36-F39 PolarHBondContact O-N 2.75Å; F36-A40 PolarHBondContact O-N 3.33Å; F36-A40 VanDerWaalsContact O-N 3.08Å; F36-F53 HydrophobicContact CB-CB 3.72Å; F36-F53 HydrophobicContact CB-CG 4.42Å; F36-F53 HydrophobicContact CD1-CD1 4.27Å; F36-F53 HydrophobicContact CD2-CB 3.74Å; F36-F53 HydrophobicContact CD2-CD1 4.44Å; F36-F53 HydrophobicContact CG-CB 3.82Å; F36-F53 HydrophobicContact CG-CD1 4.19Å; F36-F53 HydrophobicContact CG-CG 4.4Å; F36-I54 WeakPolarHBondContact CD2-O 3.49Å; F36-I54 WeakPolarHBondContact CE2-O 3.42Å; F36-F87 HydrophobicContact CE2-CB 4.46Å; F36-A89 HydrophobicContact CE2-CB 4.02Å; F36-A89 HydrophobicContact CZ-CB 4.16Å; F36-L105 HydrophobicContact CZ-CD1 3.97Å; F36-V166 HydrophobicContact CE1-CG1 4.33Å; F36-V166 HydrophobicContact CZ-CG1 4.17Å; F36-A170 HydrophobicContact CE1-CB 4Å |
| 37 | E | 97.8 | Very high | 97.7 | Very high | 40 Ų | 40 | 35 Ų | 35 | 19% | 0.187 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.3 | -46 | 173 | -79.4 | 178.6 | -146.1 | 0 | 0 | 112 | Q9 D10 S11 G33 F34 F39 A40 A41 | Q9-E37 WeakPolarHBondContact CB-OE2 3.45Å; D10-E37 WeakPolarHBondContact CB-OE1 3.32Å; D10-E37 PolarHBondContact N-OE2 3.1Å; D10-E37 VanDerWaalsContact N-OE2 3.07Å; S11-E37 VanDerWaalsContact CB-OE2 3.26Å; S11-E37 WeakPolarHBondContact CB-OE2 3.41Å; S11-E37 PolarHBondContact N-OE1 3.49Å; S11-E37 PolarHBondContact N-OE2 3.31Å; S11-E37 PolarHBondContact OG-OE1 2.91Å; S11-E37 PolarHBondContact OG-OE2 3.49Å; G33-E37 PolarHBondContact O-N 2.82Å; F34-E37 PolarHBondContact O-N 2.73Å; E37-F39 VanDerWaalsContact C-N 3.27Å; E37-F39 PolarHBondContact O-N 3.03Å; E37-A40 PolarHBondContact O-N 3.21Å; E37-A40 VanDerWaalsContact O-N 3.14Å; E37-A41 VanDerWaalsContact O-CB 3.31Å; E37-A41 WeakPolarHBondContact O-CB 3.45Å; E37-A41 PolarHBondContact O-N 2.9Å |
| 38 | Y | 98.4 | Very high | 97.5 | Very high | 32 Ų | 32 | 36.7 Ų | 36.7 | 13% | 0.125 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.5 | -36.6 | 176.9 | -177.9 | -100.6 | 0 | 0 | 0 | 111.9 | F34 A35 E42 L43 W202 L205 L209 | F34-Y38 WeakPolarHBondContact O-CB 3.36Å; F34-Y38 PolarHBondContact O-N 2.91Å; A35-Y38 PolarHBondContact O-N 3.46Å; Y38-E42 HydrophobicContact CD2-CB 4.17Å; Y38-E42 HydrophobicContact CE2-CB 3.89Å; Y38-E42 HydrophobicContact CE2-CG 4.31Å; Y38-E42 WeakPolarHBondContact CE2-OE2 3.06Å; Y38-E42 PolarHBondContact O-N 3.02Å; Y38-L43 HydrophobicContact CD1-CB 4.25Å; Y38-L43 HydrophobicContact CE1-CB 3.97Å; Y38-L43 HydrophobicContact CE1-CD2 4.49Å; Y38-L43 PolarHBondContact O-N 3.15Å; Y38-W202 AromaticContact CD1-CH2 3.93Å; Y38-W202 HydrophobicContact CD1-CH2 3.93Å; Y38-W202 HydrophobicContact CD1-CZ3 4.17Å; Y38-W202 HydrophobicContact CG-CZ3 4.5Å; Y38-L205 HydrophobicContact CD1-CD2 3.84Å; Y38-L205 HydrophobicContact CD2-CD2 4.33Å; Y38-L205 HydrophobicContact CE1-CD1 4.47Å; Y38-L205 HydrophobicContact CE1-CD2 3.54Å; Y38-L205 HydrophobicContact CE2-CD1 3.99Å; Y38-L205 HydrophobicContact CE2-CD2 4.05Å; Y38-L205 HydrophobicContact CE2-CG 4.48Å; Y38-L205 HydrophobicContact CG-CD2 4.23Å; Y38-L209 HydrophobicContact CD2-CD1 4.05Å; Y38-L209 HydrophobicContact CE2-CD1 4.02Å |
| 39 | F | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -60.9 | -47.3 | 171.9 | -70.5 | -13.7 | 0 | 0 | 0 | 112.5 | A35 F36 E37 L43 F44 F53 I167 A170 E171 W202 | A35-F39 WeakPolarHBondContact O-CB 3.43Å; A35-F39 WeakPolarHBondContact O-CD1 3.46Å; A35-F39 WeakPolarHBondContact O-CD2 3.45Å; A35-F39 WeakPolarHBondContact O-CG 3.35Å; A35-F39 PolarHBondContact O-N 2.81Å; F36-F39 HydrophobicContact CD1-CD2 4.08Å; F36-F39 HydrophobicContact CD1-CE2 4.26Å; F36-F39 WeakPolarHBondContact O-CB 3.44Å; F36-F39 PolarHBondContact O-N 2.75Å; E37-F39 VanDerWaalsContact C-N 3.27Å; E37-F39 PolarHBondContact O-N 3.03Å; F39-L43 HydrophobicContact CD1-CB 4.25Å; F39-L43 HydrophobicContact CD1-CD2 3.77Å; F39-L43 HydrophobicContact CE1-CD2 3.75Å; F39-F44 HydrophobicContact CB-CD2 3.81Å; F39-F44 HydrophobicContact CB-CE2 4.34Å; F39-F44 HydrophobicContact CD1-CD2 4.01Å; F39-F44 AromaticContact CD1-CE2 3.72Å; F39-F44 HydrophobicContact CD1-CE2 3.72Å; F39-F44 HydrophobicContact CE1-CE2 4.13Å; F39-F44 AromaticContact CG-CD2 3.93Å; F39-F44 HydrophobicContact CG-CD2 3.93Å; F39-F44 AromaticContact CG-CE2 3.95Å; F39-F44 HydrophobicContact CG-CE2 3.95Å; F39-F44 CarbonylContact O-C 3.57Å; F39-F44 WeakPolarHBondContact O-CA 3.42Å; F39-F44 WeakPolarHBondContact O-CB 3.47Å; F39-F44 PolarHBondContact O-N 2.93Å; F39-F53 HydrophobicContact CB-CD1 4.35Å; F39-F53 HydrophobicContact CB-CD2 4.28Å; F39-F53 HydrophobicContact CB-CE1 3.97Å; F39-F53 HydrophobicContact CB-CE2 3.89Å; F39-F53 HydrophobicContact CB-CG 4.5Å; F39-F53 HydrophobicContact CB-CZ 3.72Å; F39-F53 HydrophobicContact CD2-CD1 4.19Å; F39-F53 AromaticContact CD2-CE1 3.85Å; F39-F53 HydrophobicContact CD2-CE1 3.85Å; F39-F53 HydrophobicContact CD2-CZ 4.39Å; F39-F53 HydrophobicContact CG-CE1 4.36Å; F39-F53 HydrophobicContact CG-CZ 4.46Å; F39-I167 HydrophobicContact CE2-CG2 4.39Å; F39-I167 HydrophobicContact CZ-CG2 3.86Å; F39-A170 HydrophobicContact CD2-CB 4.49Å; F39-A170 HydrophobicContact CE2-CB 4Å; F39-E171 HydrophobicContact CE1-CB 4.15Å; F39-E171 HydrophobicContact CE1-CG 4.22Å; F39-E171 HydrophobicContact CE2-CB 4.41Å; F39-E171 HydrophobicContact CZ-CB 3.71Å; F39-E171 HydrophobicContact CZ-CG 4.28Å; F39-W202 HydrophobicContact CD1-CH2 4.3Å; F39-W202 AromaticContact CE1-CH2 3.67Å; F39-W202 HydrophobicContact CE1-CH2 3.67Å; F39-W202 AromaticContact CE1-CZ2 3.48Å; F39-W202 HydrophobicContact CE1-CZ2 3.48Å; F39-W202 VanDerWaalsContact CE1-CZ2 3.48Å; F39-W202 HydrophobicContact CZ-CH2 4.09Å; F39-W202 AromaticContact CZ-CZ2 3.65Å; F39-W202 HydrophobicContact CZ-CZ2 3.65Å |
| 40 | A | 97.5 | Very high | 97.2 | Very high | 54 Ų | 54 | 39.5 Ų | 39.5 | 45% | 0.446 | 24% | 0.237 | S | C | . | . | I | π-helix | trans | -67.9 | -45.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | F36 E37 F53 | F36-A40 PolarHBondContact O-N 3.33Å; F36-A40 VanDerWaalsContact O-N 3.08Å; E37-A40 PolarHBondContact O-N 3.21Å; E37-A40 VanDerWaalsContact O-N 3.14Å; A40-F53 HydrophobicContact CB-CD2 3.93Å; A40-F53 HydrophobicContact CB-CE2 4.43Å |
| 41 | A | 96.9 | Very high | 97.2 | Very high | 34 Ų | 34 | 37.3 Ų | 37.3 | 28% | 0.281 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | -81.9 | -34.8 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y8 E37 | Y8-A41 HydrophobicContact CE1-CB 4.27Å; Y8-A41 WeakPolarHBondContact OH-CB 3.43Å; E37-A41 VanDerWaalsContact O-CB 3.31Å; E37-A41 WeakPolarHBondContact O-CB 3.45Å; E37-A41 PolarHBondContact O-N 2.9Å |
| 42 | E | 96.8 | Very high | 97.2 | Very high | 90 Ų | 90 | 38.3 Ų | 38.3 | 42% | 0.421 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -126 | -68.2 | -172 | -77.2 | -175.5 | -132.9 | 0 | 0 | 112.9 | Y8 Y38 F44 K45 | Y8-E42 VanDerWaalsContact CE2-OE1 3.25Å; Y8-E42 WeakPolarHBondContact CE2-OE1 3.48Å; Y8-E42 VanDerWaalsContact OH-CD 3.25Å; Y8-E42 VanDerWaalsContact OH-CG 3.3Å; Y8-E42 WeakPolarHBondContact OH-CG 3.37Å; Y8-E42 PolarHBondContact OH-OE1 3Å; Y38-E42 HydrophobicContact CD2-CB 4.17Å; Y38-E42 HydrophobicContact CE2-CB 3.89Å; Y38-E42 HydrophobicContact CE2-CG 4.31Å; Y38-E42 WeakPolarHBondContact CE2-OE2 3.06Å; Y38-E42 PolarHBondContact O-N 3.02Å; E42-F44 VanDerWaalsContact C-N 3.32Å; E42-F44 PolarHBondContact O-N 3.29Å; E42-K45 PolarHBondContact O-N 3.33Å |
| 43 | L | 97.5 | Very high | 97.2 | Very high | 50 Ų | 50 | 39.5 Ų | 39.5 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -63.4 | -38.9 | -164.4 | -171.8 | 59.5 | 0 | 0 | 0 | 112.7 | Y38 F39 E171 | Y38-L43 HydrophobicContact CD1-CB 4.25Å; Y38-L43 HydrophobicContact CE1-CB 3.97Å; Y38-L43 HydrophobicContact CE1-CD2 4.49Å; Y38-L43 PolarHBondContact O-N 3.15Å; F39-L43 HydrophobicContact CD1-CB 4.25Å; F39-L43 HydrophobicContact CD1-CD2 3.77Å; F39-L43 HydrophobicContact CE1-CD2 3.75Å; L43-E171 HydrophobicContact CD2-CG 4.12Å |
| 44 | F | 97.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 2% | 0.022 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.1 | 26.3 | -179.2 | -54 | -64.5 | 0 | 0 | 0 | 112.8 | F39 E42 G46 L47 F53 E171 C174 E175 | F39-F44 HydrophobicContact CB-CD2 3.81Å; F39-F44 HydrophobicContact CB-CE2 4.34Å; F39-F44 HydrophobicContact CD1-CD2 4.01Å; F39-F44 AromaticContact CD1-CE2 3.72Å; F39-F44 HydrophobicContact CD1-CE2 3.72Å; F39-F44 HydrophobicContact CE1-CE2 4.13Å; F39-F44 AromaticContact CG-CD2 3.93Å; F39-F44 HydrophobicContact CG-CD2 3.93Å; F39-F44 AromaticContact CG-CE2 3.95Å; F39-F44 HydrophobicContact CG-CE2 3.95Å; F39-F44 CarbonylContact O-C 3.57Å; F39-F44 WeakPolarHBondContact O-CA 3.42Å; F39-F44 WeakPolarHBondContact O-CB 3.47Å; F39-F44 PolarHBondContact O-N 2.93Å; E42-F44 VanDerWaalsContact C-N 3.32Å; E42-F44 PolarHBondContact O-N 3.29Å; F44-G46 PolarHBondContact O-N 3.42Å; F44-L47 HydrophobicContact CB-CD1 3.89Å; F44-L47 HydrophobicContact CB-CG 4.04Å; F44-L47 HydrophobicContact CG-CD1 4.37Å; F44-L47 WeakPolarHBondContact O-CB 3.5Å; F44-L47 PolarHBondContact O-N 3.43Å; F44-F53 HydrophobicContact CD2-CZ 4.34Å; F44-E171 HydrophobicContact CE2-CG 4.26Å; F44-E171 HydrophobicContact CZ-CG 3.94Å; F44-E171 WeakPolarHBondContact CZ-O 3.49Å; F44-C174 HydrophobicContact CD1-CB 3.65Å; F44-C174 HydrophobicContact CD2-CB 3.58Å; F44-C174 HydrophobicContact CE1-CB 3.58Å; F44-C174 HydrophobicContact CE2-CB 3.51Å; F44-C174 HydrophobicContact CG-CB 3.65Å; F44-C174 HydrophobicContact CZ-CB 3.51Å; F44-E175 HydrophobicContact CE1-CG 3.82Å; F44-E175 WeakPolarHBondContact CE1-OE1 3.4Å; F44-E175 HydrophobicContact CZ-CG 3.97Å |
| 45 | K | 96.3 | Very high | 97.1 | Very high | 151 Ų | 151 | 41 Ų | 41 | 66% | 0.657 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -49.7 | -33.2 | 172.9 | -177.7 | 178.8 | -179.7 | 172.6 | 0 | 112.9 | E42 L47 G48 | E42-K45 PolarHBondContact O-N 3.33Å; K45-L47 VanDerWaalsContact C-N 3.25Å; K45-L47 PolarHBondContact O-N 3.25Å; K45-G48 PolarHBondContact O-N 2.9Å |
| 46 | G | 95.4 | Very high | 97 | Very high | 82 Ų | 82 | 41.3 Ų | 41.3 | 85% | 0.845 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -65.8 | -18.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | F44 | F44-G46 PolarHBondContact O-N 3.42Š|
| 47 | L | 95.1 | Very high | 96.9 | Very high | 24 Ų | 24 | 44.9 Ų | 44.9 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -73.2 | -21.1 | 170.9 | -61.2 | -173.9 | 0 | 0 | 0 | 111.8 | F44 K45 E49 A50 A51 W85 C174 R178 | F44-L47 HydrophobicContact CB-CD1 3.89Å; F44-L47 HydrophobicContact CB-CG 4.04Å; F44-L47 HydrophobicContact CG-CD1 4.37Å; F44-L47 WeakPolarHBondContact O-CB 3.5Å; F44-L47 PolarHBondContact O-N 3.43Å; K45-L47 VanDerWaalsContact C-N 3.25Å; K45-L47 PolarHBondContact O-N 3.25Å; L47-E49 PolarHBondContact O-N 3.37Å; L47-A50 VanDerWaalsContact O-CB 3.25Å; L47-A50 WeakPolarHBondContact O-CB 3.35Å; L47-A50 PolarHBondContact O-N 3.11Å; L47-A50 VanDerWaalsContact O-N 3.12Å; L47-A51 HydrophobicContact CB-CB 3.97Å; L47-A51 HydrophobicContact CD1-CB 4.02Å; L47-W85 HydrophobicContact CD1-CE3 4.33Å; L47-W85 HydrophobicContact CD1-CZ3 4.11Å; L47-W85 HydrophobicContact CD2-CZ3 3.91Å; L47-W85 HydrophobicContact CG-CZ3 4.42Å; L47-C174 HydrophobicContact CD1-CB 4.05Å; L47-R178 HydrophobicContact CD2-CB 4.27Å |
| 48 | G | 93.5 | Very high | 96.8 | Very high | 42 Ų | 42 | 44.2 Ų | 44.2 | 43% | 0.433 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | 49.9 | -136.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | K45 A50 A51 | K45-G48 PolarHBondContact O-N 2.9Å; G48-A50 PolarHBondContact O-N 3.42Å; G48-A50 VanDerWaalsContact O-N 3.07Å; G48-A51 PolarHBondContact O-N 3.45Å |
| 49 | E | 94.1 | Very high | 96.8 | Very high | 131 Ų | 131 | 42.8 Ų | 42.8 | 61% | 0.612 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -67.2 | -10.9 | -176.8 | -60.5 | -58.2 | 130.4 | 0 | 0 | 114.4 | L47 A51 R83 | L47-E49 PolarHBondContact O-N 3.37Å; E49-A51 VanDerWaalsContact C-N 3.34Å; E49-A51 PolarHBondContact O-N 3.02Å; E49-R83 VanDerWaalsContact CA-NH1 3.3Å; E49-R83 WeakPolarHBondContact O-CD 3.46Å; E49-R83 PolarHBondContact O-NH1 2.62Å; E49-R83 VanDerWaalsContact O-NH1 3.1Å; E49-R83 IonicContact OE2-CZ 3.1Å; E49-R83 IonicContact OE2-NH1 2.66Å; E49-R83 PolarHBondContact OE2-NH1 3.49Å; E49-R83 IonicContact OE2-NH2 2.73Å; E49-R83 PolarHBondContact OE2-NH2 3.32Å |
| 50 | A | 96.1 | Very high | 96.7 | Very high | 31 Ų | 31 | 44.9 Ų | 44.9 | 26% | 0.256 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -69.7 | -31.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L47 G48 R84 W85 | L47-A50 VanDerWaalsContact O-CB 3.25Å; L47-A50 WeakPolarHBondContact O-CB 3.35Å; L47-A50 PolarHBondContact O-N 3.11Å; L47-A50 VanDerWaalsContact O-N 3.12Å; G48-A50 PolarHBondContact O-N 3.42Å; G48-A50 VanDerWaalsContact O-N 3.07Å; A50-R84 HydrophobicContact CB-CB 4.15Å; A50-R84 CarbonylContact O-C 3.53Å; A50-R84 WeakPolarHBondContact O-CA 3.42Å; A50-R84 WeakPolarHBondContact O-CB 3.26Å; A50-R84 PolarHBondContact O-N 2.97Å; A50-W85 HydrophobicContact CB-CE3 4.48Å; A50-W85 HydrophobicContact CB-CZ3 4.3Å; A50-W85 PolarHBondContact O-N 2.93Å |
| 51 | A | 97.5 | Very high | 96.6 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 8% | 0.083 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 143.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | L47 G48 E49 F53 W85 | L47-A51 HydrophobicContact CB-CB 3.97Å; L47-A51 HydrophobicContact CD1-CB 4.02Å; G48-A51 PolarHBondContact O-N 3.45Å; E49-A51 VanDerWaalsContact C-N 3.34Å; E49-A51 PolarHBondContact O-N 3.02Å; A51-F53 HydrophobicContact CB-CE2 4.3Å; A51-W85 WeakPolarHBondContact CA-O 3.39Å; A51-W85 HydrophobicContact CB-CE3 4.14Å |
| 52 | I | 98.2 | Very high | 96.6 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 11% | 0.113 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 141.9 | 164.7 | -169 | 172.1 | 0 | 0 | 0 | 109.3 | I54 L78 L80 R83 W85 V86 F87 | I52-I54 HydrophobicContact CD1-CD1 3.85Å; I52-I54 HydrophobicContact CG1-CD1 3.94Å; I52-I54 HydrophobicContact CG2-CD1 4.27Å; I52-L78 HydrophobicContact CD1-CB 4.04Å; I52-L78 HydrophobicContact CD1-CD2 4.36Å; I52-L80 HydrophobicContact CD1-CD2 4.33Å; I52-L80 HydrophobicContact CG2-CD2 4.14Å; I52-R83 HydrophobicContact CB-CG 4.18Å; I52-R83 HydrophobicContact CG2-CB 4.1Å; I52-R83 HydrophobicContact CG2-CG 3.73Å; I52-W85 PolarHBondContact N-O 3.01Å; I52-V86 HydrophobicContact CG2-CB 4.01Å; I52-V86 HydrophobicContact CG2-CG1 3.76Å; I52-V86 HydrophobicContact CG2-CG2 3.85Å; I52-F87 PolarHBondContact O-N 2.64Å |
| 53 | F | 98.4 | Very high | 96.6 | Very high | 26 Ų | 26 | 39 Ų | 39 | 11% | 0.114 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 114.5 | 176.4 | -58.1 | -92.2 | 0 | 0 | 0 | 108.6 | F36 F39 A40 F44 A51 F87 C174 | F36-F53 HydrophobicContact CB-CB 3.72Å; F36-F53 HydrophobicContact CB-CG 4.42Å; F36-F53 HydrophobicContact CD1-CD1 4.27Å; F36-F53 HydrophobicContact CD2-CB 3.74Å; F36-F53 HydrophobicContact CD2-CD1 4.44Å; F36-F53 HydrophobicContact CG-CB 3.82Å; F36-F53 HydrophobicContact CG-CD1 4.19Å; F36-F53 HydrophobicContact CG-CG 4.4Å; F39-F53 HydrophobicContact CB-CD1 4.35Å; F39-F53 HydrophobicContact CB-CD2 4.28Å; F39-F53 HydrophobicContact CB-CE1 3.97Å; F39-F53 HydrophobicContact CB-CE2 3.89Å; F39-F53 HydrophobicContact CB-CG 4.5Å; F39-F53 HydrophobicContact CB-CZ 3.72Å; F39-F53 HydrophobicContact CD2-CD1 4.19Å; F39-F53 AromaticContact CD2-CE1 3.85Å; F39-F53 HydrophobicContact CD2-CE1 3.85Å; F39-F53 HydrophobicContact CD2-CZ 4.39Å; F39-F53 HydrophobicContact CG-CE1 4.36Å; F39-F53 HydrophobicContact CG-CZ 4.46Å; A40-F53 HydrophobicContact CB-CD2 3.93Å; A40-F53 HydrophobicContact CB-CE2 4.43Å; F44-F53 HydrophobicContact CD2-CZ 4.34Å; A51-F53 HydrophobicContact CB-CE2 4.3Å; F53-F87 HydrophobicContact CD1-CB 3.76Å; F53-F87 AromaticContact CD1-CD2 3.93Å; F53-F87 HydrophobicContact CD1-CD2 3.93Å; F53-F87 AromaticContact CD1-CG 3.9Å; F53-F87 HydrophobicContact CD1-CG 3.9Å; F53-F87 HydrophobicContact CE1-CB 4.28Å; F53-F87 HydrophobicContact CE1-CD1 4.44Å; F53-F87 AromaticContact CE1-CD2 3.72Å; F53-F87 HydrophobicContact CE1-CD2 3.72Å; F53-F87 HydrophobicContact CE1-CE2 4.14Å; F53-F87 AromaticContact CE1-CG 3.91Å; F53-F87 HydrophobicContact CE1-CG 3.91Å; F53-F87 HydrophobicContact CZ-CD2 4.26Å; F53-F87 HydrophobicContact CZ-CE2 4.39Å; F53-C174 WeakPolarHBondContact CZ-SG 3.41Å |
| 54 | I | 98.2 | Very high | 96.4 | Very high | 6 Ų | 6 | 39.8 Ų | 39.8 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 120.5 | -179.8 | -53 | -55.8 | 0 | 0 | 0 | 108.2 | F36 I52 V58 T59 I62 L78 L80 V86 F87 L88 | F36-I54 WeakPolarHBondContact CD2-O 3.49Å; F36-I54 WeakPolarHBondContact CE2-O 3.42Å; I52-I54 HydrophobicContact CD1-CD1 3.85Å; I52-I54 HydrophobicContact CG1-CD1 3.94Å; I52-I54 HydrophobicContact CG2-CD1 4.27Å; I54-V58 HydrophobicContact CG2-CB 3.63Å; I54-V58 HydrophobicContact CG2-CG1 3.39Å; I54-T59 PolarHBondContact O-OG1 3.25Å; I54-I62 HydrophobicContact CG2-CD1 4.19Å; I54-L78 HydrophobicContact CD1-CD1 3.93Å; I54-L80 HydrophobicContact CD1-CD2 4.32Å; I54-V86 HydrophobicContact CD1-CG1 4.42Å; I54-V86 HydrophobicContact CG1-CG1 3.83Å; I54-F87 WeakPolarHBondContact CB-O 3.46Å; I54-F87 PolarHBondContact N-O 3.31Å; I54-L88 HydrophobicContact CB-CB 4.46Å; I54-L88 HydrophobicContact CB-CD2 4.1Å; I54-L88 HydrophobicContact CB-CG 3.93Å; I54-L88 HydrophobicContact CG1-CD2 4.11Å; I54-L88 HydrophobicContact CG1-CG 3.96Å; I54-L88 HydrophobicContact CG2-CD2 4.16Å |
| 55 | S | 96.9 | Very high | 96.2 | Very high | 29 Ų | 29 | 40.1 Ų | 40.1 | 20% | 0.203 | 24% | 0.24 | C | C | . | . | trans | -59.5 | 159.2 | -177.6 | 84.3 | 0 | 0 | 0 | 0 | 112.1 | E57 V58 T59 | S55-E57 VanDerWaalsContact C-N 3.25Å; S55-E57 WeakPolarHBondContact CB-OE2 3.28Å; S55-E57 PolarHBondContact O-N 3.36Å; S55-E57 PolarHBondContact OG-OE2 2.86Å; S55-V58 PolarHBondContact O-N 3.04Å; S55-V58 PolarHBondContact OG-N 2.92Å; S55-T59 WeakPolarHBondContact O-CB 3.48Å; S55-T59 PolarHBondContact O-N 3.37Å; S55-T59 PolarHBondContact O-OG1 3.05Å | ||
| 56 | P | 98.1 | Very high | 95.9 | Very high | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.032 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.5 | -39.5 | 175.5 | -27.2 | 36.6 | 0 | 0 | 0 | 113.5 | D29 I32 T59 Q60 A89 W103 | D29-P56 HydrophobicContact CB-CB 3.74Å; D29-P56 HydrophobicContact CB-CG 4.19Å; I32-P56 HydrophobicContact CB-CG 3.9Å; I32-P56 HydrophobicContact CG2-CG 3.82Å; P56-T59 PolarHBondContact O-N 3.4Å; P56-Q60 WeakPolarHBondContact O-CB 3.41Å; P56-Q60 PolarHBondContact O-N 2.94Å; P56-A89 HydrophobicContact CB-CB 4.41Å; P56-A89 HydrophobicContact CG-CB 3.98Å; P56-W103 HydrophobicContact CB-CH2 3.74Å; P56-W103 HydrophobicContact CB-CZ3 3.88Å; P56-W103 HydrophobicContact CG-CH2 4.47Å; P56-W103 HydrophobicContact CG-CZ3 4.48Å |
| 57 | E | 95.8 | Very high | 95.7 | Very high | 79 Ų | 79 | 36.1 Ų | 36.1 | 37% | 0.369 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.9 | -45.2 | -178.8 | -53.1 | 81.7 | 179.2 | 0 | 0 | 111.3 | S55 T59 Q60 F61 | S55-E57 VanDerWaalsContact C-N 3.25Å; S55-E57 WeakPolarHBondContact CB-OE2 3.28Å; S55-E57 PolarHBondContact O-N 3.36Å; S55-E57 PolarHBondContact OG-OE2 2.86Å; E57-T59 VanDerWaalsContact C-N 3.33Å; E57-Q60 PolarHBondContact O-N 3.4Å; E57-F61 PolarHBondContact O-N 3.44Å |
| 58 | V | 96.1 | Very high | 95.4 | Very high | 26 Ų | 26 | 38.9 Ų | 38.9 | 16% | 0.158 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.4 | -39.2 | 175.8 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | I54 S55 Q60 F61 I62 F74 | I54-V58 HydrophobicContact CG2-CB 3.63Å; I54-V58 HydrophobicContact CG2-CG1 3.39Å; S55-V58 PolarHBondContact O-N 3.04Å; S55-V58 PolarHBondContact OG-N 2.92Å; V58-Q60 VanDerWaalsContact C-N 3.31Å; V58-Q60 PolarHBondContact O-N 2.87Å; V58-F61 WeakPolarHBondContact O-CB 3.38Å; V58-F61 PolarHBondContact O-N 3.24Å; V58-I62 HydrophobicContact CG1-CD1 4.06Å; V58-I62 HydrophobicContact CG1-CG1 4.5Å; V58-I62 VanDerWaalsContact O-CG1 3.3Å; V58-I62 WeakPolarHBondContact O-CG1 3.14Å; V58-I62 PolarHBondContact O-N 2.79Å; V58-F74 HydrophobicContact CB-CE1 4.16Å; V58-F74 HydrophobicContact CG1-CD1 4.17Å; V58-F74 HydrophobicContact CG1-CE1 3.53Å; V58-F74 HydrophobicContact CG2-CE1 3.67Å; V58-F74 HydrophobicContact CG2-CZ 3.88Å |
| 59 | T | 97.9 | Very high | 95.3 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -41.1 | 175.9 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | I54 S55 P56 E57 I62 K63 L88 A89 I132 | I54-T59 PolarHBondContact O-OG1 3.25Å; S55-T59 WeakPolarHBondContact O-CB 3.48Å; S55-T59 PolarHBondContact O-N 3.37Å; S55-T59 PolarHBondContact O-OG1 3.05Å; P56-T59 PolarHBondContact O-N 3.4Å; E57-T59 VanDerWaalsContact C-N 3.33Å; T59-I62 PolarHBondContact O-N 3.27Å; T59-K63 PolarHBondContact O-N 2.99Å; T59-L88 HydrophobicContact CG2-CB 3.9Å; T59-L88 HydrophobicContact CG2-CD2 4.34Å; T59-A89 VanDerWaalsContact CB-O 3.32Å; T59-A89 WeakPolarHBondContact CB-O 3.46Å; T59-A89 WeakPolarHBondContact CG2-O 3.49Å; T59-I132 HydrophobicContact CG2-CD1 3.6Å; T59-I132 HydrophobicContact CG2-CG1 4.42Å; T59-I132 HydrophobicContact CG2-CG2 4.49Å |
| 60 | Q | 96.8 | Very high | 95.2 | Very high | 45 Ų | 45 | 41.6 Ų | 41.6 | 21% | 0.21 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.9 | -41.7 | 174.6 | -174.7 | 66.4 | 4.7 | 0 | 0 | 111.8 | P56 E57 V58 K63 C64 N93 | P56-Q60 WeakPolarHBondContact O-CB 3.41Å; P56-Q60 PolarHBondContact O-N 2.94Å; E57-Q60 PolarHBondContact O-N 3.4Å; V58-Q60 VanDerWaalsContact C-N 3.31Å; V58-Q60 PolarHBondContact O-N 2.87Å; Q60-K63 WeakPolarHBondContact O-CB 3.36Å; Q60-K63 PolarHBondContact O-N 3.46Å; Q60-C64 WeakPolarHBondContact O-CB 3.4Å; Q60-C64 PolarHBondContact O-N 3.26Å; Q60-C64 PolarHBondContact O-SG 2.88Å; Q60-N93 PolarHBondContact NE2-O 2.98Å; Q60-N93 VanDerWaalsContact NE2-O 3.12Å |
| 61 | F | 95.5 | Very high | 95 | Very high | 52 Ų | 52 | 40.5 Ų | 40.5 | 23% | 0.228 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.3 | -49.8 | 173.9 | 169.2 | -99 | 0 | 0 | 0 | 111.1 | E57 V58 K63 C64 A65 E70 L71 F74 | E57-F61 PolarHBondContact O-N 3.44Å; V58-F61 WeakPolarHBondContact O-CB 3.38Å; V58-F61 PolarHBondContact O-N 3.24Å; F61-K63 VanDerWaalsContact C-N 3.31Å; F61-K63 PolarHBondContact O-N 3.36Å; F61-C64 PolarHBondContact O-N 3.43Å; F61-C64 VanDerWaalsContact O-N 3.12Å; F61-A65 HydrophobicContact CZ-CB 4.39Å; F61-A65 WeakPolarHBondContact O-CB 3.41Å; F61-A65 PolarHBondContact O-N 3.14Å; F61-E70 HydrophobicContact CE2-CG 4.46Å; F61-E70 HydrophobicContact CZ-CG 4.17Å; F61-L71 HydrophobicContact CD1-CD1 4.26Å; F61-L71 HydrophobicContact CE1-CD1 3.78Å; F61-F74 HydrophobicContact CD1-CB 4.34Å; F61-F74 AromaticContact CD1-CD1 3.86Å; F61-F74 HydrophobicContact CD1-CD1 3.86Å; F61-F74 HydrophobicContact CD1-CE1 4.37Å; F61-F74 AromaticContact CD1-CG 3.97Å; F61-F74 HydrophobicContact CD1-CG 3.97Å; F61-F74 HydrophobicContact CE1-CB 3.47Å; F61-F74 VanDerWaalsContact CE1-CB 3.47Å; F61-F74 AromaticContact CE1-CD1 3.84Å; F61-F74 HydrophobicContact CE1-CD1 3.84Å; F61-F74 HydrophobicContact CE1-CD2 4.2Å; F61-F74 AromaticContact CE1-CG 3.55Å; F61-F74 HydrophobicContact CE1-CG 3.55Å; F61-F74 HydrophobicContact CZ-CB 3.94Å; F61-F74 HydrophobicContact CZ-CD2 4.46Å; F61-F74 HydrophobicContact CZ-CG 4.15Å |
| 62 | I | 96.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54.5 | -50.3 | 175.4 | -65.4 | 157.9 | 0 | 0 | 0 | 109.8 | I54 V58 T59 C64 L71 L75 L88 I132 K135 L136 | I54-I62 HydrophobicContact CG2-CD1 4.19Å; V58-I62 HydrophobicContact CG1-CD1 4.06Å; V58-I62 HydrophobicContact CG1-CG1 4.5Å; V58-I62 VanDerWaalsContact O-CG1 3.3Å; V58-I62 WeakPolarHBondContact O-CG1 3.14Å; V58-I62 PolarHBondContact O-N 2.79Å; T59-I62 PolarHBondContact O-N 3.27Å; I62-C64 VanDerWaalsContact C-N 3.28Å; I62-C64 PolarHBondContact O-N 2.87Å; I62-L71 HydrophobicContact CB-CD1 4.29Å; I62-L71 HydrophobicContact CG1-CD1 4Å; I62-L71 HydrophobicContact CG2-CD1 4.39Å; I62-L75 HydrophobicContact CD1-CD2 3.83Å; I62-L75 HydrophobicContact CG1-CD1 4.37Å; I62-L75 HydrophobicContact CG1-CD2 3.83Å; I62-L88 HydrophobicContact CD1-CD2 4Å; I62-I132 HydrophobicContact CG2-CG2 4.06Å; I62-K135 HydrophobicContact CG2-CB 4.05Å; I62-K135 WeakPolarHBondContact O-CD 3.22Å; I62-K135 PolarHBondContact O-NZ 3.08Å; I62-L136 HydrophobicContact CD1-CD1 3.98Å; I62-L136 HydrophobicContact CG2-CD1 4.5Å |
| 63 | K | 96.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -58 | -39.1 | -179.5 | -167 | 179.2 | 75.1 | -168.9 | 0 | 112.7 | T59 Q60 F61 N91 N93 H128 R131 I132 K135 | T59-K63 PolarHBondContact O-N 2.99Å; Q60-K63 WeakPolarHBondContact O-CB 3.36Å; Q60-K63 PolarHBondContact O-N 3.46Å; F61-K63 VanDerWaalsContact C-N 3.31Å; F61-K63 PolarHBondContact O-N 3.36Å; K63-N91 PolarHBondContact NZ-O 3.41Å; K63-N93 VanDerWaalsContact CE-O 3.25Å; K63-N93 WeakPolarHBondContact CE-O 3.36Å; K63-N93 PolarHBondContact NZ-O 3.48Å; K63-H128 HydrophobicContact CD-CB 4.02Å; K63-R131 HydrophobicContact CG-CG 4.47Å; K63-R131 PolarHBondContact O-NE 2.93Å; K63-R131 VanDerWaalsContact O-NE 3.08Å; K63-R131 PolarHBondContact O-NH2 3.45Å; K63-I132 HydrophobicContact CB-CD1 4.16Å; K63-I132 HydrophobicContact CB-CG1 3.68Å; K63-I132 HydrophobicContact CD-CD1 4.25Å; K63-I132 HydrophobicContact CD-CG1 4.39Å; K63-I132 HydrophobicContact CG-CD1 4.34Å; K63-I132 HydrophobicContact CG-CG1 3.95Å; K63-K135 VanDerWaalsContact C-NZ 3.27Å; K63-K135 PolarHBondContact O-NZ 3.28Å |
| 64 | C | 94.2 | Very high | 94.2 | Very high | 66 Ų | 66 | 49.3 Ų | 49.3 | 45% | 0.446 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -92.7 | -26 | -172.4 | -69.4 | 0 | 0 | 0 | 0 | 114.8 | Q60 F61 I62 A66 | Q60-C64 WeakPolarHBondContact O-CB 3.4Å; Q60-C64 PolarHBondContact O-N 3.26Å; Q60-C64 PolarHBondContact O-SG 2.88Å; F61-C64 PolarHBondContact O-N 3.43Å; F61-C64 VanDerWaalsContact O-N 3.12Å; I62-C64 VanDerWaalsContact C-N 3.28Å; I62-C64 PolarHBondContact O-N 2.87Å; C64-A66 PolarHBondContact O-N 2.9Å |
| 65 | A | 92.8 | Very high | 94 | Very high | 12 Ų | 12 | 49.1 Ų | 49.1 | 10% | 0.099 | 28% | 0.278 | C | S | . | . | trans | -50.2 | 122.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F61 L71 K135 | F61-A65 HydrophobicContact CZ-CB 4.39Å; F61-A65 WeakPolarHBondContact O-CB 3.41Å; F61-A65 PolarHBondContact O-N 3.14Å; A65-L71 HydrophobicContact CB-CB 4.2Å; A65-L71 HydrophobicContact CB-CD1 4.1Å; A65-K135 WeakPolarHBondContact O-CE 3.44Å; A65-K135 PolarHBondContact O-NZ 3.17Å | ||
| 66 | A | 90.3 | Very high | 93.8 | Very high | 102 Ų | 102 | 54 Ų | 54 | 84% | 0.843 | 30% | 0.297 | S | S | * | . | trans | -89.2 | -27.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C64 | C64-A66 PolarHBondContact O-N 2.9Š| ||
| 67 | C | 91.6 | Very high | 93.6 | Very high | 46 Ų | 46 | 58.8 Ų | 58.8 | 31% | 0.311 | 33% | 0.328 | S | S | . | . | trans | -100.2 | 117.5 | -175.6 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | E69 E70 L71 | C67-E69 PolarHBondContact O-N 2.93Å; C67-E69 PolarHBondContact SG-OE2 3.2Å; C67-E70 HydrophobicContact CB-CB 3.86Å; C67-E70 PolarHBondContact O-N 3.03Å; C67-E70 PolarHBondContact SG-N 2.76Å; C67-L71 PolarHBondContact O-N 2.91Å; C67-L71 VanDerWaalsContact O-N 3.11Å | ||
| 68 | P | 89.5 | Confident | 93.5 | Very high | 83 Ų | 83 | 56.9 Ų | 56.9 | 54% | 0.539 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.4 | -33.9 | 175.3 | -25.6 | 35.6 | 0 | 0 | 0 | 113.7 | L71 A72 | P68-L71 PolarHBondContact O-N 2.92Å; P68-A72 WeakPolarHBondContact O-CB 3.45Å; P68-A72 PolarHBondContact O-N 3.21Å |
| 69 | E | 91.1 | Very high | 93.4 | Very high | 130 Ų | 130 | 57 Ų | 57 | 61% | 0.607 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -69.2 | -43 | -179.6 | -60.2 | 72.4 | -160.9 | 0 | 0 | 111.4 | C67 L71 A72 L73 | C67-E69 PolarHBondContact O-N 2.93Å; C67-E69 PolarHBondContact SG-OE2 3.2Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-A72 PolarHBondContact O-N 3.43Å; E69-L73 WeakPolarHBondContact O-CG 3.3Å; E69-L73 PolarHBondContact O-N 2.64Å; E69-L73 VanDerWaalsContact O-N 3.09Å |
| 70 | E | 90.6 | Very high | 93.3 | Very high | 100 Ų | 100 | 57.2 Ų | 57.2 | 47% | 0.467 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.6 | -43.7 | 173.2 | -174.1 | -169.8 | 176.5 | 0 | 0 | 111 | F61 C67 A72 L73 F74 | F61-E70 HydrophobicContact CE2-CG 4.46Å; F61-E70 HydrophobicContact CZ-CG 4.17Å; C67-E70 HydrophobicContact CB-CB 3.86Å; C67-E70 PolarHBondContact O-N 3.03Å; C67-E70 PolarHBondContact SG-N 2.76Å; E70-A72 VanDerWaalsContact C-N 3.3Å; E70-A72 PolarHBondContact O-N 3.3Å; E70-L73 PolarHBondContact O-N 2.8Å; E70-F74 PolarHBondContact O-N 2.93Å |
| 71 | L | 93.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 57.8 Ų | 57.8 | 4% | 0.037 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61 | -41 | 176.3 | -175.6 | 62.2 | 0 | 0 | 0 | 111.2 | F61 I62 A65 C67 P68 E69 F74 L75 K135 F139 | F61-L71 HydrophobicContact CD1-CD1 4.26Å; F61-L71 HydrophobicContact CE1-CD1 3.78Å; I62-L71 HydrophobicContact CB-CD1 4.29Å; I62-L71 HydrophobicContact CG1-CD1 4Å; I62-L71 HydrophobicContact CG2-CD1 4.39Å; A65-L71 HydrophobicContact CB-CB 4.2Å; A65-L71 HydrophobicContact CB-CD1 4.1Å; C67-L71 PolarHBondContact O-N 2.91Å; C67-L71 VanDerWaalsContact O-N 3.11Å; P68-L71 PolarHBondContact O-N 2.92Å; E69-L71 VanDerWaalsContact C-N 3.33Å; L71-F74 PolarHBondContact O-N 2.91Å; L71-L75 HydrophobicContact CD1-CD1 3.66Å; L71-L75 HydrophobicContact CD1-CG 3.92Å; L71-L75 HydrophobicContact CD2-CD1 4.33Å; L71-L75 HydrophobicContact CG-CD1 3.72Å; L71-L75 HydrophobicContact CG-CG 4.24Å; L71-L75 WeakPolarHBondContact O-CB 3.46Å; L71-L75 VanDerWaalsContact O-CG 3.29Å; L71-L75 WeakPolarHBondContact O-CG 3.45Å; L71-L75 PolarHBondContact O-N 3.28Å; L71-K135 HydrophobicContact CD2-CB 3.98Å; L71-K135 HydrophobicContact CD2-CD 4.48Å; L71-F139 HydrophobicContact CD2-CE2 3.91Å; L71-F139 HydrophobicContact CD2-CZ 4.47Å; L71-F139 HydrophobicContact CG-CE2 4.04Å; L71-F139 HydrophobicContact CG-CZ 4.24Å |
| 72 | A | 92.8 | Very high | 93.2 | Very high | 19 Ų | 19 | 59.3 Ų | 59.3 | 16% | 0.157 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.6 | -48 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | P68 E69 E70 F74 L75 E76 F139 | P68-A72 WeakPolarHBondContact O-CB 3.45Å; P68-A72 PolarHBondContact O-N 3.21Å; E69-A72 PolarHBondContact O-N 3.43Å; E70-A72 VanDerWaalsContact C-N 3.3Å; E70-A72 PolarHBondContact O-N 3.3Å; A72-F74 PolarHBondContact O-N 3.39Å; A72-F74 VanDerWaalsContact O-N 3.16Å; A72-L75 PolarHBondContact O-N 3.34Å; A72-L75 VanDerWaalsContact O-N 3.13Å; A72-E76 WeakPolarHBondContact O-CB 3.35Å; A72-E76 VanDerWaalsContact O-CG 3.26Å; A72-E76 WeakPolarHBondContact O-CG 3.43Å; A72-E76 PolarHBondContact O-N 3.23Å; A72-F139 VanDerWaalsContact CA-CE1 3.46Å; A72-F139 HydrophobicContact CB-CE1 3.63Å; A72-F139 HydrophobicContact CB-CZ 3.9Å |
| 73 | L | 92.1 | Very high | 93.2 | Very high | 129 Ų | 129 | 61 Ų | 61 | 68% | 0.675 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -56.2 | -34.7 | 178 | -69.8 | 172.1 | 0 | 0 | 0 | 112.6 | E69 E70 P77 | E69-L73 WeakPolarHBondContact O-CG 3.3Å; E69-L73 PolarHBondContact O-N 2.64Å; E69-L73 VanDerWaalsContact O-N 3.09Å; E70-L73 PolarHBondContact O-N 2.8Å; L73-P77 WeakPolarHBondContact O-CD 3.33Å |
| 74 | F | 92 | Very high | 93.2 | Very high | 95 Ų | 95 | 64.8 Ų | 64.8 | 42% | 0.417 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -81.1 | -35.2 | 179.2 | -162 | -85.6 | 0 | 0 | 0 | 113.2 | V58 F61 E70 L71 A72 | V58-F74 HydrophobicContact CB-CE1 4.16Å; V58-F74 HydrophobicContact CG1-CD1 4.17Å; V58-F74 HydrophobicContact CG1-CE1 3.53Å; V58-F74 HydrophobicContact CG2-CE1 3.67Å; V58-F74 HydrophobicContact CG2-CZ 3.88Å; F61-F74 HydrophobicContact CD1-CB 4.34Å; F61-F74 AromaticContact CD1-CD1 3.86Å; F61-F74 HydrophobicContact CD1-CD1 3.86Å; F61-F74 HydrophobicContact CD1-CE1 4.37Å; F61-F74 AromaticContact CD1-CG 3.97Å; F61-F74 HydrophobicContact CD1-CG 3.97Å; F61-F74 HydrophobicContact CE1-CB 3.47Å; F61-F74 VanDerWaalsContact CE1-CB 3.47Å; F61-F74 AromaticContact CE1-CD1 3.84Å; F61-F74 HydrophobicContact CE1-CD1 3.84Å; F61-F74 HydrophobicContact CE1-CD2 4.2Å; F61-F74 AromaticContact CE1-CG 3.55Å; F61-F74 HydrophobicContact CE1-CG 3.55Å; F61-F74 HydrophobicContact CZ-CB 3.94Å; F61-F74 HydrophobicContact CZ-CD2 4.46Å; F61-F74 HydrophobicContact CZ-CG 4.15Å; E70-F74 PolarHBondContact O-N 2.93Å; L71-F74 PolarHBondContact O-N 2.91Å; A72-F74 PolarHBondContact O-N 3.39Å; A72-F74 VanDerWaalsContact O-N 3.16Å |
| 75 | L | 93.7 | Very high | 93.4 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -89 | -25.2 | -175 | -65 | -175.7 | 0 | 0 | 0 | 114.2 | I62 L71 A72 L78 L80 L136 F139 | I62-L75 HydrophobicContact CD1-CD2 3.83Å; I62-L75 HydrophobicContact CG1-CD1 4.37Å; I62-L75 HydrophobicContact CG1-CD2 3.83Å; L71-L75 HydrophobicContact CD1-CD1 3.66Å; L71-L75 HydrophobicContact CD1-CG 3.92Å; L71-L75 HydrophobicContact CD2-CD1 4.33Å; L71-L75 HydrophobicContact CG-CD1 3.72Å; L71-L75 HydrophobicContact CG-CG 4.24Å; L71-L75 WeakPolarHBondContact O-CB 3.46Å; L71-L75 VanDerWaalsContact O-CG 3.29Å; L71-L75 WeakPolarHBondContact O-CG 3.45Å; L71-L75 PolarHBondContact O-N 3.28Å; A72-L75 PolarHBondContact O-N 3.34Å; A72-L75 VanDerWaalsContact O-N 3.13Å; L75-L78 HydrophobicContact CD2-CD1 3.61Å; L75-L78 WeakPolarHBondContact O-CB 3.49Å; L75-L78 PolarHBondContact O-N 2.99Å; L75-L80 HydrophobicContact CD2-CD1 4.48Å; L75-L136 HydrophobicContact CD1-CD1 3.92Å; L75-F139 HydrophobicContact CB-CD1 4.19Å; L75-F139 HydrophobicContact CB-CE1 4.48Å; L75-F139 HydrophobicContact CB-CG 4.3Å; L75-F139 HydrophobicContact CD1-CD1 4.44Å; L75-F139 HydrophobicContact CD1-CD2 3.55Å; L75-F139 HydrophobicContact CD1-CE2 3.76Å; L75-F139 HydrophobicContact CD1-CG 3.92Å; L75-F139 HydrophobicContact CD1-CZ 4.3Å |
| 76 | E | 92.3 | Very high | 93.7 | Very high | 131 Ų | 131 | 61.4 Ų | 61.4 | 61% | 0.612 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -52.9 | -46.9 | 177.9 | -83.6 | 174.1 | -169.9 | 0 | 0 | 113.1 | A72 L78 G79 | A72-E76 WeakPolarHBondContact O-CB 3.35Å; A72-E76 VanDerWaalsContact O-CG 3.26Å; A72-E76 WeakPolarHBondContact O-CG 3.43Å; A72-E76 PolarHBondContact O-N 3.23Å; E76-L78 PolarHBondContact O-N 3.43Å; E76-L78 VanDerWaalsContact O-N 3.12Å; E76-G79 PolarHBondContact O-N 2.83Å; E76-G79 VanDerWaalsContact O-N 3.15Å |
| 77 | P | 94 | Very high | 94.1 | Very high | 106 Ų | 106 | 56.6 Ų | 56.6 | 69% | 0.688 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -61.1 | -21.8 | 178.2 | -24.8 | 35.4 | 0 | 0 | 0 | 114.5 | L73 G79 | L73-P77 WeakPolarHBondContact O-CD 3.33Å; P77-G79 VanDerWaalsContact C-N 3.26Å; P77-G79 PolarHBondContact O-N 2.87Å |
| 78 | L | 94.4 | Very high | 94.4 | Very high | 40 Ų | 40 | 54.4 Ų | 54.4 | 21% | 0.209 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -76.1 | -15.7 | -178.5 | -54.4 | 178.6 | 0 | 0 | 0 | 112.7 | I52 I54 L75 E76 L80 R83 | I52-L78 HydrophobicContact CD1-CB 4.04Å; I52-L78 HydrophobicContact CD1-CD2 4.36Å; I54-L78 HydrophobicContact CD1-CD1 3.93Å; L75-L78 HydrophobicContact CD2-CD1 3.61Å; L75-L78 WeakPolarHBondContact O-CB 3.49Å; L75-L78 PolarHBondContact O-N 2.99Å; E76-L78 PolarHBondContact O-N 3.43Å; E76-L78 VanDerWaalsContact O-N 3.12Å; L78-L80 VanDerWaalsContact C-N 3.29Å; L78-L80 HydrophobicContact CB-CD2 3.73Å; L78-L80 HydrophobicContact CB-CG 3.99Å; L78-L80 HydrophobicContact CD1-CD2 4.38Å; L78-L80 PolarHBondContact O-N 3.23Å; L78-R83 PolarHBondContact O-NE 2.91Å; L78-R83 VanDerWaalsContact O-NE 3.14Å |
| 79 | G | 95.2 | Very high | 94.9 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.6 | 34.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E76 P77 A81 S82 | E76-G79 PolarHBondContact O-N 2.83Å; E76-G79 VanDerWaalsContact O-N 3.15Å; P77-G79 VanDerWaalsContact C-N 3.26Å; P77-G79 PolarHBondContact O-N 2.87Å; G79-A81 PolarHBondContact O-N 3.29Å; G79-S82 PolarHBondContact O-N 2.91Å; G79-S82 PolarHBondContact O-OG 2.95Å |
| 80 | L | 95.7 | Very high | 95.2 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -55.7 | -27.5 | -170.5 | -58.3 | -176.9 | 0 | 0 | 0 | 114.2 | I52 I54 L75 L78 S82 R83 V86 R110 L136 F139 L140 | I52-L80 HydrophobicContact CD1-CD2 4.33Å; I52-L80 HydrophobicContact CG2-CD2 4.14Å; I54-L80 HydrophobicContact CD1-CD2 4.32Å; L75-L80 HydrophobicContact CD2-CD1 4.48Å; L78-L80 VanDerWaalsContact C-N 3.29Å; L78-L80 HydrophobicContact CB-CD2 3.73Å; L78-L80 HydrophobicContact CB-CG 3.99Å; L78-L80 HydrophobicContact CD1-CD2 4.38Å; L78-L80 PolarHBondContact O-N 3.23Å; L80-S82 VanDerWaalsContact C-N 3.26Å; L80-S82 PolarHBondContact O-N 3.34Å; L80-R83 PolarHBondContact O-N 3.24Å; L80-V86 HydrophobicContact CD2-CG1 4.12Å; L80-V86 HydrophobicContact CD2-CG2 4.34Å; L80-R110 PolarHBondContact O-NH2 3.24Å; L80-L136 HydrophobicContact CD1-CD1 3.54Å; L80-L136 HydrophobicContact CD1-CG 4.04Å; L80-F139 HydrophobicContact CD1-CB 4.22Å; L80-L140 HydrophobicContact CB-CD2 4.19Å |
| 81 | A | 94.6 | Very high | 95.6 | Very high | 57 Ų | 57 | 40.1 Ų | 40.1 | 47% | 0.471 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -62.4 | -26.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | G79 R110 F139 | G79-A81 PolarHBondContact O-N 3.29Å; A81-R110 PolarHBondContact O-NH1 3.04Å; A81-R110 PolarHBondContact O-NH2 3.36Å; A81-R110 VanDerWaalsContact O-NH2 3.1Å; A81-F139 PolarHBondContact N-O 3.08Å |
| 82 | S | 94.6 | Very high | 95.7 | Very high | 85 Ų | 85 | 41.2 Ų | 41.2 | 59% | 0.594 | 23% | 0.232 | S | C | * | . | G | 310 helix | trans | -95.8 | -10.6 | 177.3 | 62 | 0 | 0 | 0 | 0 | 113.7 | G79 L80 | G79-S82 PolarHBondContact O-N 2.91Å; G79-S82 PolarHBondContact O-OG 2.95Å; L80-S82 VanDerWaalsContact C-N 3.26Å; L80-S82 PolarHBondContact O-N 3.34Å |
| 83 | R | 96.6 | Very high | 95.9 | Very high | 34 Ų | 34 | 41.2 Ų | 41.2 | 13% | 0.128 | 23% | 0.229 | C | C | . | . | trans | -77.4 | 129.7 | -177.8 | -53 | -63.1 | -175.8 | 179.3 | -11.9 | 110.6 | E49 I52 L78 L80 V86 R110 | E49-R83 VanDerWaalsContact CA-NH1 3.3Å; E49-R83 WeakPolarHBondContact O-CD 3.46Å; E49-R83 PolarHBondContact O-NH1 2.62Å; E49-R83 VanDerWaalsContact O-NH1 3.1Å; E49-R83 IonicContact OE2-CZ 3.1Å; E49-R83 IonicContact OE2-NH1 2.66Å; E49-R83 PolarHBondContact OE2-NH1 3.49Å; E49-R83 IonicContact OE2-NH2 2.73Å; E49-R83 PolarHBondContact OE2-NH2 3.32Å; I52-R83 HydrophobicContact CB-CG 4.18Å; I52-R83 HydrophobicContact CG2-CB 4.1Å; I52-R83 HydrophobicContact CG2-CG 3.73Å; L78-R83 PolarHBondContact O-NE 2.91Å; L78-R83 VanDerWaalsContact O-NE 3.14Å; L80-R83 PolarHBondContact O-N 3.24Å; R83-V86 HydrophobicContact CB-CG2 3.84Å; R83-R110 PolarHBondContact O-NE 3.11Å; R83-R110 PolarHBondContact O-NH2 2.9Å | ||
| 84 | R | 96.5 | Very high | 95.7 | Very high | 84 Ų | 84 | 39.7 Ų | 39.7 | 32% | 0.317 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -77.6 | -34.7 | 176.3 | -162.5 | 174.7 | 172.7 | -152.4 | -12.5 | 111.4 | A50 R110 D111 G181 | A50-R84 HydrophobicContact CB-CB 4.15Å; A50-R84 CarbonylContact O-C 3.53Å; A50-R84 WeakPolarHBondContact O-CA 3.42Å; A50-R84 WeakPolarHBondContact O-CB 3.26Å; A50-R84 PolarHBondContact O-N 2.97Å; R84-R110 HydrophobicContact CG-CB 4.35Å; R84-R110 VanDerWaalsContact O-CB 3.24Å; R84-R110 WeakPolarHBondContact O-CB 3.47Å; R84-R110 PolarHBondContact O-N 3.1Å; R84-D111 IonicContact CZ-OD1 2.89Å; R84-D111 IonicContact CZ-OD2 3.44Å; R84-D111 VanDerWaalsContact NE-CG 3.28Å; R84-D111 IonicContact NE-OD1 2.65Å; R84-D111 PolarHBondContact NE-OD1 3.29Å; R84-D111 IonicContact NE-OD2 3.98Å; R84-D111 PolarHBondContact NE-OD2 2.84Å; R84-D111 IonicContact NH2-OD1 3.07Å; R84-D111 IonicContact NH2-OD2 3.59Å; R84-D111 PolarHBondContact NH2-OD2 2.94Å; R84-G181 PolarHBondContact NH2-O 3.21Å |
| 85 | W | 98.1 | Very high | 95.2 | Very high | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.027 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 127.6 | 179.8 | -52.8 | -46.5 | 0 | 0 | 0 | 110.5 | L47 A50 A51 I52 F87 L107 F108 A177 P183 | L47-W85 HydrophobicContact CD1-CE3 4.33Å; L47-W85 HydrophobicContact CD1-CZ3 4.11Å; L47-W85 HydrophobicContact CD2-CZ3 3.91Å; L47-W85 HydrophobicContact CG-CZ3 4.42Å; A50-W85 HydrophobicContact CB-CE3 4.48Å; A50-W85 HydrophobicContact CB-CZ3 4.3Å; A50-W85 PolarHBondContact O-N 2.93Å; A51-W85 WeakPolarHBondContact CA-O 3.39Å; A51-W85 HydrophobicContact CB-CE3 4.14Å; I52-W85 PolarHBondContact N-O 3.01Å; W85-F87 HydrophobicContact CB-CD2 4.4Å; W85-F87 HydrophobicContact CB-CE2 3.71Å; W85-F87 HydrophobicContact CB-CZ 4.36Å; W85-L107 HydrophobicContact CB-CD1 4.05Å; W85-F108 WeakPolarHBondContact CA-O 3.31Å; W85-A177 HydrophobicContact CE3-CB 4.25Å; W85-A177 HydrophobicContact CH2-CB 3.6Å; W85-A177 HydrophobicContact CZ2-CB 3.93Å; W85-A177 HydrophobicContact CZ3-CB 3.77Å; W85-P183 HydrophobicContact CD2-CG 4.01Å; W85-P183 HydrophobicContact CG-CG 4.04Å; W85-P183 HydrophobicContact CZ2-CG 4.2Å |
| 86 | V | 98.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 109.2 | 177 | -173.5 | 0 | 0 | 0 | 0 | 108.2 | I52 I54 L80 R83 L88 L107 F108 L136 L140 | I52-V86 HydrophobicContact CG2-CB 4.01Å; I52-V86 HydrophobicContact CG2-CG1 3.76Å; I52-V86 HydrophobicContact CG2-CG2 3.85Å; I54-V86 HydrophobicContact CD1-CG1 4.42Å; I54-V86 HydrophobicContact CG1-CG1 3.83Å; L80-V86 HydrophobicContact CD2-CG1 4.12Å; L80-V86 HydrophobicContact CD2-CG2 4.34Å; R83-V86 HydrophobicContact CB-CG2 3.84Å; V86-L88 HydrophobicContact CB-CD1 4.5Å; V86-L88 HydrophobicContact CG1-CD1 3.87Å; V86-L88 HydrophobicContact CG1-CG 4.33Å; V86-L107 WeakPolarHBondContact O-CA 3.47Å; V86-F108 HydrophobicContact CB-CB 4.06Å; V86-F108 HydrophobicContact CG2-CB 4.39Å; V86-F108 HydrophobicContact CG2-CD1 4.21Å; V86-F108 PolarHBondContact N-O 2.67Å; V86-F108 PolarHBondContact O-N 3.05Å; V86-L136 HydrophobicContact CG1-CD2 4.25Å; V86-L140 HydrophobicContact CG2-CD2 4.41Å |
| 87 | F | 98.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 133.5 | 179.2 | -64.2 | -96.3 | 0 | 0 | 0 | 110 | F36 I52 F53 I54 W85 L105 L107 A170 L173 C174 | F36-F87 HydrophobicContact CE2-CB 4.46Å; I52-F87 PolarHBondContact O-N 2.64Å; F53-F87 HydrophobicContact CD1-CB 3.76Å; F53-F87 AromaticContact CD1-CD2 3.93Å; F53-F87 HydrophobicContact CD1-CD2 3.93Å; F53-F87 AromaticContact CD1-CG 3.9Å; F53-F87 HydrophobicContact CD1-CG 3.9Å; F53-F87 HydrophobicContact CE1-CB 4.28Å; F53-F87 HydrophobicContact CE1-CD1 4.44Å; F53-F87 AromaticContact CE1-CD2 3.72Å; F53-F87 HydrophobicContact CE1-CD2 3.72Å; F53-F87 HydrophobicContact CE1-CE2 4.14Å; F53-F87 AromaticContact CE1-CG 3.91Å; F53-F87 HydrophobicContact CE1-CG 3.91Å; F53-F87 HydrophobicContact CZ-CD2 4.26Å; F53-F87 HydrophobicContact CZ-CE2 4.39Å; I54-F87 WeakPolarHBondContact CB-O 3.46Å; I54-F87 PolarHBondContact N-O 3.31Å; W85-F87 HydrophobicContact CB-CD2 4.4Å; W85-F87 HydrophobicContact CB-CE2 3.71Å; W85-F87 HydrophobicContact CB-CZ 4.36Å; F87-L105 HydrophobicContact CD1-CD1 4.32Å; F87-L105 HydrophobicContact CD1-CD2 4.48Å; F87-L107 HydrophobicContact CD1-CD1 3.82Å; F87-L107 HydrophobicContact CD2-CD1 4.01Å; F87-L107 HydrophobicContact CE1-CD1 3.7Å; F87-L107 HydrophobicContact CE1-CD2 3.91Å; F87-L107 HydrophobicContact CE1-CG 4.29Å; F87-L107 HydrophobicContact CE2-CD1 3.89Å; F87-L107 HydrophobicContact CG-CD1 3.97Å; F87-L107 HydrophobicContact CZ-CD1 3.73Å; F87-L107 HydrophobicContact CZ-CD2 4.2Å; F87-A170 HydrophobicContact CD1-CB 4.21Å; F87-L173 HydrophobicContact CE1-CB 3.98Å; F87-L173 HydrophobicContact CE1-CD1 4.21Å; F87-L173 HydrophobicContact CZ-CB 4.36Å; F87-C174 WeakPolarHBondContact CZ-SG 3.25Å |
| 88 | L | 98.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 133.1 | 178.8 | -52.2 | 96.9 | 0 | 0 | 0 | 110.6 | I54 T59 I62 V86 L106 I132 L136 | I54-L88 HydrophobicContact CB-CB 4.46Å; I54-L88 HydrophobicContact CB-CD2 4.1Å; I54-L88 HydrophobicContact CB-CG 3.93Å; I54-L88 HydrophobicContact CG1-CD2 4.11Å; I54-L88 HydrophobicContact CG1-CG 3.96Å; I54-L88 HydrophobicContact CG2-CD2 4.16Å; T59-L88 HydrophobicContact CG2-CB 3.9Å; T59-L88 HydrophobicContact CG2-CD2 4.34Å; I62-L88 HydrophobicContact CD1-CD2 4Å; V86-L88 HydrophobicContact CB-CD1 4.5Å; V86-L88 HydrophobicContact CG1-CD1 3.87Å; V86-L88 HydrophobicContact CG1-CG 4.33Å; L88-L106 HydrophobicContact CB-CB 4.37Å; L88-L106 HydrophobicContact CD1-CB 4.45Å; L88-L106 HydrophobicContact CD1-CD2 4.31Å; L88-L106 HydrophobicContact CD1-CG 4.31Å; L88-L106 PolarHBondContact N-O 2.93Å; L88-L106 PolarHBondContact O-N 3Å; L88-I132 HydrophobicContact CD2-CG2 3.9Å; L88-L136 HydrophobicContact CD1-CD2 4.07Å; L88-L136 HydrophobicContact CD2-CD2 4.11Å |
| 89 | A | 98.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 107.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | I32 F36 P56 T59 W103 V166 | I32-A89 HydrophobicContact CG2-CB 3.78Å; F36-A89 HydrophobicContact CE2-CB 4.02Å; F36-A89 HydrophobicContact CZ-CB 4.16Å; P56-A89 HydrophobicContact CB-CB 4.41Å; P56-A89 HydrophobicContact CG-CB 3.98Å; T59-A89 VanDerWaalsContact CB-O 3.32Å; T59-A89 WeakPolarHBondContact CB-O 3.46Å; T59-A89 WeakPolarHBondContact CG2-O 3.49Å; A89-W103 HydrophobicContact CB-CE3 4.46Å; A89-W103 HydrophobicContact CB-CZ3 4.35Å; A89-V166 HydrophobicContact CB-CG1 4.21Å |
| 90 | V | 98.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 132.1 | -175.7 | -175.1 | 0 | 0 | 0 | 0 | 110.1 | W103 S104 L106 N125 H128 A129 I132 | V90-W103 WeakPolarHBondContact O-CA 3.29Å; V90-S104 PolarHBondContact N-O 2.95Å; V90-S104 PolarHBondContact O-N 3.34Å; V90-L106 HydrophobicContact CG2-CB 3.63Å; V90-N125 WeakPolarHBondContact CG1-ND2 3.31Å; V90-N125 PolarHBondContact O-ND2 3.11Å; V90-H128 HydrophobicContact CG1-CB 3.78Å; V90-A129 HydrophobicContact CG1-CB 4.3Å; V90-A129 HydrophobicContact CG2-CB 4.26Å; V90-I132 HydrophobicContact CB-CD1 4.24Å; V90-I132 HydrophobicContact CG1-CD1 3.72Å; V90-I132 HydrophobicContact CG2-CD1 3.86Å |
| 91 | N | 98.1 | Very high | 93.2 | Very high | 13 Ų | 13 | 51.2 Ų | 51.2 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 152.6 | 171.3 | -163.9 | -91.7 | 0 | 0 | 0 | 110.8 | K63 N93 G100 H102 W103 | K63-N91 PolarHBondContact NZ-O 3.41Å; N91-N93 WeakPolarHBondContact OD1-CB 3.45Å; N91-N93 PolarHBondContact OD1-N 2.79Å; N91-G100 VanDerWaalsContact OD1-CA 3.26Å; N91-G100 WeakPolarHBondContact OD1-CA 3.32Å; N91-H102 WeakPolarHBondContact CA-O 3.41Å; N91-H102 PolarHBondContact ND2-O 3.01Å; N91-W103 HydrophobicContact CB-CD2 4.48Å; N91-W103 HydrophobicContact CB-CE3 3.84Å; N91-W103 HydrophobicContact CB-CH2 3.81Å; N91-W103 HydrophobicContact CB-CZ2 4.46Å; N91-W103 HydrophobicContact CB-CZ3 3.48Å; N91-W103 VanDerWaalsContact CB-CZ3 3.48Å; N91-W103 WeakPolarHBondContact ND2-CH2 3.4Å; N91-W103 WeakPolarHBondContact ND2-CZ2 3.34Å |
| 92 | D | 96.3 | Very high | 93.3 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 16% | 0.16 | 30% | 0.3 | C | S | . | . | trans | -86.6 | -4.8 | 177.4 | 68.3 | -19.8 | 0 | 0 | 0 | 114.2 | S94 G100 S101 H102 N125 H128 | D92-S94 PolarHBondContact O-N 3.23Å; D92-S94 VanDerWaalsContact O-N 3.08Å; D92-G100 VanDerWaalsContact OD1-CA 3.25Å; D92-G100 WeakPolarHBondContact OD1-CA 3.34Å; D92-S101 PolarHBondContact OD1-N 3.11Å; D92-S101 PolarHBondContact OD2-N 3.4Å; D92-S101 PolarHBondContact OD2-OG 3.29Å; D92-H102 PolarHBondContact N-O 3.12Å; D92-H102 PolarHBondContact OD1-N 3.33Å; D92-H102 VanDerWaalsContact OD1-N 3.1Å; D92-H102 PolarHBondContact OD2-N 3.25Å; D92-N125 WeakPolarHBondContact CA-OD1 3.47Å; D92-N125 WeakPolarHBondContact CB-OD1 3.29Å; D92-N125 PolarHBondContact N-OD1 2.74Å; D92-H128 PolarHBondContact O-CE1 2.8Å; D92-H128 PolarHBondContact O-NE2 3.47Å | ||
| 93 | N | 95.7 | Very high | 93.5 | Very high | 19 Ų | 19 | 45.9 Ų | 45.9 | 10% | 0.102 | 28% | 0.276 | C | S | . | . | trans | -57.3 | 118.6 | -178.3 | -172.7 | 10.8 | 0 | 0 | 0 | 111.9 | Q60 K63 N91 I95 T97 G99 | Q60-N93 PolarHBondContact NE2-O 2.98Å; Q60-N93 VanDerWaalsContact NE2-O 3.12Å; K63-N93 VanDerWaalsContact CE-O 3.25Å; K63-N93 WeakPolarHBondContact CE-O 3.36Å; K63-N93 PolarHBondContact NZ-O 3.48Å; N91-N93 WeakPolarHBondContact OD1-CB 3.45Å; N91-N93 PolarHBondContact OD1-N 2.79Å; N93-I95 WeakPolarHBondContact OD1-CG1 3.35Å; N93-I95 PolarHBondContact OD1-N 3.37Å; N93-I95 VanDerWaalsContact OD1-N 3.15Å; N93-T97 PolarHBondContact ND2-O 3.46Å; N93-G99 PolarHBondContact ND2-N 2.84Å; N93-G99 PolarHBondContact ND2-O 2.8Å | ||
| 94 | S | 87.7 | Confident | 93.6 | Very high | 96 Ų | 96 | 44.3 Ų | 44.3 | 67% | 0.671 | 27% | 0.27 | S | S | * | . | trans | -116.1 | -0.7 | -178.5 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | D92 | D92-S94 PolarHBondContact O-N 3.23Å; D92-S94 VanDerWaalsContact O-N 3.08Å | ||
| 95 | I | 81.9 | Confident | 93.7 | Very high | 102 Ų | 102 | 40.3 Ų | 40.3 | 52% | 0.523 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -99.8 | 161.3 | -179.4 | 60.3 | 174.6 | 0 | 0 | 0 | 110.9 | N93 T97 | N93-I95 WeakPolarHBondContact OD1-CG1 3.35Å; N93-I95 PolarHBondContact OD1-N 3.37Å; N93-I95 VanDerWaalsContact OD1-N 3.15Å; I95-T97 WeakPolarHBondContact CD1-OG1 3.37Å; I95-T97 PolarHBondContact O-N 3.42Å |
| 96 | Q | 77.7 | Confident | 93.8 | Very high | 207 Ų | 207 | 40 Ų | 40 | 97% | 0.967 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -76.5 | -1.2 | -177.8 | -67.9 | -177 | -4.2 | 0 | 0 | 113.9 | ||
| 97 | T | 85.1 | Confident | 93.8 | Very high | 92 Ų | 92 | 40 Ų | 40 | 56% | 0.564 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -104.3 | 161.3 | 178.1 | 60 | 0 | 0 | 0 | 0 | 110.9 | N93 I95 G99 | N93-T97 PolarHBondContact ND2-O 3.46Å; I95-T97 WeakPolarHBondContact CD1-OG1 3.37Å; I95-T97 PolarHBondContact O-N 3.42Å; T97-G99 PolarHBondContact O-N 3.04Å |
| 98 | A | 84.6 | Confident | 93.8 | Very high | 104 Ų | 104 | 40.1 Ų | 40.1 | 86% | 0.86 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -54.7 | 138.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 99 | G | 90.5 | Very high | 93.7 | Very high | 50 Ų | 50 | 41 Ų | 41 | 52% | 0.515 | 26% | 0.259 | S | S | . | . | trans | 163.5 | -160.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | N93 T97 | N93-G99 PolarHBondContact ND2-N 2.84Å; N93-G99 PolarHBondContact ND2-O 2.8Å; T97-G99 PolarHBondContact O-N 3.04Å | ||
| 100 | G | 92.4 | Very high | 93.5 | Very high | 31 Ų | 31 | 44.3 Ų | 44.3 | 32% | 0.32 | 27% | 0.271 | S | S | . | . | trans | 113.1 | 142.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | N91 D92 | N91-G100 VanDerWaalsContact OD1-CA 3.26Å; N91-G100 WeakPolarHBondContact OD1-CA 3.32Å; D92-G100 VanDerWaalsContact OD1-CA 3.25Å; D92-G100 WeakPolarHBondContact OD1-CA 3.34Å | ||
| 101 | S | 93.8 | Very high | 93.2 | Very high | 63 Ų | 63 | 49.2 Ų | 49.2 | 44% | 0.441 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -117.5 | -13.2 | 179.9 | 79.3 | 0 | 0 | 0 | 0 | 114 | D92 | D92-S101 PolarHBondContact OD1-N 3.11Å; D92-S101 PolarHBondContact OD2-N 3.4Å; D92-S101 PolarHBondContact OD2-OG 3.29Å |
| 102 | H | 97.4 | Very high | 92.9 | Very high | 5 Ų | 5 | 51 Ų | 51 | 2% | 0.023 | 32% | 0.318 | C | S | . | . | trans | -148.3 | 145.2 | -175.3 | -167.6 | 47.1 | 0 | 0 | 0 | 113.7 | N91 D92 D119 Q121 C162 | N91-H102 WeakPolarHBondContact CA-O 3.41Å; N91-H102 PolarHBondContact ND2-O 3.01Å; D92-H102 PolarHBondContact N-O 3.12Å; D92-H102 PolarHBondContact OD1-N 3.33Å; D92-H102 VanDerWaalsContact OD1-N 3.1Å; D92-H102 PolarHBondContact OD2-N 3.25Å; H102-D119 IonicContact CD2-OD1 2.67Å; H102-D119 IonicContact CE1-OD1 2.72Å; H102-D119 IonicContact NE2-OD1 2.77Å; H102-D119 PolarHBondContact NE2-OD1 3.22Å; H102-D119 IonicContact NE2-OD2 3.17Å; H102-Q121 VanDerWaalsContact CE1-CB 3.42Å; H102-Q121 WeakPolarHBondContact CE1-CB 3.18Å; H102-Q121 WeakPolarHBondContact NE2-CB 3.34Å; H102-C162 WeakPolarHBondContact CE1-CB 3.4Å; H102-C162 VanDerWaalsContact ND1-CB 3.27Å; H102-C162 WeakPolarHBondContact ND1-CB 3.43Å | ||
| 103 | W | 98.4 | Very high | 92.9 | Very high | 25 Ų | 25 | 51.1 Ų | 51.1 | 10% | 0.095 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 140.9 | 175.9 | -69.7 | 109.2 | 0 | 0 | 0 | 110.7 | L27 D29 I32 P56 A89 V90 N91 C162 V166 | L27-W103 PolarHBondContact O-NE1 2.58Å; D29-W103 HydrophobicContact CB-CH2 4.4Å; I32-W103 HydrophobicContact CD1-CD2 3.57Å; I32-W103 HydrophobicContact CD1-CE3 4.01Å; I32-W103 HydrophobicContact CD1-CG 3.83Å; I32-W103 HydrophobicContact CD1-CZ2 4.15Å; I32-W103 HydrophobicContact CD1-CZ3 4.46Å; P56-W103 HydrophobicContact CB-CH2 3.74Å; P56-W103 HydrophobicContact CB-CZ3 3.88Å; P56-W103 HydrophobicContact CG-CH2 4.47Å; P56-W103 HydrophobicContact CG-CZ3 4.48Å; A89-W103 HydrophobicContact CB-CE3 4.46Å; A89-W103 HydrophobicContact CB-CZ3 4.35Å; V90-W103 WeakPolarHBondContact O-CA 3.29Å; N91-W103 HydrophobicContact CB-CD2 4.48Å; N91-W103 HydrophobicContact CB-CE3 3.84Å; N91-W103 HydrophobicContact CB-CH2 3.81Å; N91-W103 HydrophobicContact CB-CZ2 4.46Å; N91-W103 HydrophobicContact CB-CZ3 3.48Å; N91-W103 VanDerWaalsContact CB-CZ3 3.48Å; N91-W103 WeakPolarHBondContact ND2-CH2 3.4Å; N91-W103 WeakPolarHBondContact ND2-CZ2 3.34Å; W103-C162 HydrophobicContact CB-CB 4.28Å; W103-V166 HydrophobicContact CB-CG2 3.9Å |
| 104 | S | 98.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 169.7 | 169.9 | 67 | 0 | 0 | 0 | 0 | 110.8 | V90 H117 Y118 N125 V166 | V90-S104 PolarHBondContact N-O 2.95Å; V90-S104 PolarHBondContact O-N 3.34Å; S104-H117 WeakPolarHBondContact CB-NE2 3.42Å; S104-H117 PolarHBondContact OG-NE2 3.48Å; S104-Y118 WeakPolarHBondContact CB-O 2.93Å; S104-N125 WeakPolarHBondContact OG-CB 3.41Å; S104-N125 PolarHBondContact OG-ND2 3.02Å; S104-V166 VanDerWaalsContact C-CG2 3.4Å; S104-V166 WeakPolarHBondContact O-CG2 3.41Å |
| 105 | L | 98.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.8 | -177.2 | 179.1 | 69.5 | 0 | 0 | 0 | 110.3 | F36 F87 H117 Y118 V166 N169 A170 L173 | F36-L105 HydrophobicContact CZ-CD1 3.97Å; F87-L105 HydrophobicContact CD1-CD1 4.32Å; F87-L105 HydrophobicContact CD1-CD2 4.48Å; L105-H117 WeakPolarHBondContact O-CA 3.4Å; L105-H117 PolarHBondContact O-CD2 3.45Å; L105-Y118 HydrophobicContact CD2-CD2 4.22Å; L105-Y118 HydrophobicContact CG-CD2 4.49Å; L105-Y118 PolarHBondContact N-O 3.31Å; L105-Y118 PolarHBondContact O-N 3.4Å; L105-V166 HydrophobicContact CB-CG1 4.29Å; L105-V166 HydrophobicContact CB-CG2 4.46Å; L105-V166 HydrophobicContact CD1-CG1 4.14Å; L105-N169 HydrophobicContact CD2-CB 3.87Å; L105-A170 HydrophobicContact CD1-CB 4.3Å; L105-A170 HydrophobicContact CD2-CB 4.04Å; L105-L173 HydrophobicContact CD2-CD1 3.83Å |
| 106 | L | 98.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.8 | 168.8 | -177.9 | 65.8 | 0 | 0 | 0 | 109.3 | L88 V90 F115 H117 A129 I132 A133 F148 | L88-L106 HydrophobicContact CB-CB 4.37Å; L88-L106 HydrophobicContact CD1-CB 4.45Å; L88-L106 HydrophobicContact CD1-CD2 4.31Å; L88-L106 HydrophobicContact CD1-CG 4.31Å; L88-L106 PolarHBondContact N-O 2.93Å; L88-L106 PolarHBondContact O-N 3Å; V90-L106 HydrophobicContact CG2-CB 3.63Å; L106-F115 HydrophobicContact CD1-CB 4Å; L106-F115 HydrophobicContact CD1-CD1 4.09Å; L106-F115 HydrophobicContact CD1-CG 4.43Å; L106-F115 HydrophobicContact CD2-CD1 4.23Å; L106-F115 HydrophobicContact CG-CD1 4.14Å; L106-H117 HydrophobicContact CD1-CB 4.17Å; L106-A129 HydrophobicContact CD1-CB 4.47Å; L106-I132 HydrophobicContact CD2-CB 4.16Å; L106-I132 HydrophobicContact CD2-CG2 3.84Å; L106-A133 HydrophobicContact CD2-CB 4.3Å; L106-F148 HydrophobicContact CD1-CD2 4.39Å; L106-F148 HydrophobicContact CD1-CE2 3.81Å |
| 107 | L | 98.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 122.8 | 177.6 | 173.1 | 58 | 0 | 0 | 0 | 109.8 | W85 V86 F87 L109 F115 A116 Y118 L173 P183 | W85-L107 HydrophobicContact CB-CD1 4.05Å; V86-L107 WeakPolarHBondContact O-CA 3.47Å; F87-L107 HydrophobicContact CD1-CD1 3.82Å; F87-L107 HydrophobicContact CD2-CD1 4.01Å; F87-L107 HydrophobicContact CE1-CD1 3.7Å; F87-L107 HydrophobicContact CE1-CD2 3.91Å; F87-L107 HydrophobicContact CE1-CG 4.29Å; F87-L107 HydrophobicContact CE2-CD1 3.89Å; F87-L107 HydrophobicContact CG-CD1 3.97Å; F87-L107 HydrophobicContact CZ-CD1 3.73Å; F87-L107 HydrophobicContact CZ-CD2 4.2Å; L107-L109 HydrophobicContact CD2-CD2 3.79Å; L107-L109 HydrophobicContact CD2-CG 4.07Å; L107-L109 HydrophobicContact CG-CD2 4.16Å; L107-L109 HydrophobicContact CG-CG 4.04Å; L107-F115 CarbonylContact O-C 3.58Å; L107-F115 WeakPolarHBondContact O-CA 3.4Å; L107-A116 HydrophobicContact CB-CB 4.47Å; L107-A116 PolarHBondContact N-O 3.39Å; L107-A116 PolarHBondContact O-N 3.35Å; L107-Y118 HydrophobicContact CB-CE2 4.25Å; L107-Y118 HydrophobicContact CD2-CE2 4.42Å; L107-L173 HydrophobicContact CD2-CD1 4.05Å; L107-L173 HydrophobicContact CD2-CD2 4.43Å; L107-P183 HydrophobicContact CD2-CB 4.14Å |
| 108 | F | 98.4 | Very high | 95.8 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 126.8 | 163 | 177.1 | -112.7 | 0 | 0 | 0 | 110.3 | W85 V86 R110 H114 F115 L140 V146 | W85-F108 WeakPolarHBondContact CA-O 3.31Å; V86-F108 HydrophobicContact CB-CB 4.06Å; V86-F108 HydrophobicContact CG2-CB 4.39Å; V86-F108 HydrophobicContact CG2-CD1 4.21Å; V86-F108 PolarHBondContact N-O 2.67Å; V86-F108 PolarHBondContact O-N 3.05Å; F108-R110 HydrophobicContact CE1-CB 3.92Å; F108-R110 HydrophobicContact CE1-CG 4.48Å; F108-R110 HydrophobicContact CZ-CB 4.42Å; F108-H114 WeakPolarHBondContact CD2-O 3.13Å; F108-F115 HydrophobicContact CB-CD1 3.86Å; F108-F115 HydrophobicContact CB-CE1 3.75Å; F108-F115 HydrophobicContact CD2-CD1 4.19Å; F108-F115 HydrophobicContact CD2-CE1 4.11Å; F108-F115 HydrophobicContact CD2-CE2 4.43Å; F108-F115 HydrophobicContact CD2-CG 4.41Å; F108-F115 HydrophobicContact CD2-CZ 4.24Å; F108-F115 HydrophobicContact CG-CD1 4.49Å; F108-F115 HydrophobicContact CG-CE1 4.25Å; F108-L140 HydrophobicContact CB-CD1 4.47Å; F108-L140 HydrophobicContact CD1-CD1 3.9Å; F108-L140 HydrophobicContact CD1-CD2 3.69Å; F108-L140 HydrophobicContact CD1-CG 4.32Å; F108-L140 HydrophobicContact CD2-CD1 3.53Å; F108-L140 HydrophobicContact CE1-CB 4.2Å; F108-L140 HydrophobicContact CE1-CD1 3.96Å; F108-L140 HydrophobicContact CE1-CD2 3.92Å; F108-L140 HydrophobicContact CE1-CG 4.25Å; F108-L140 HydrophobicContact CE2-CD1 3.62Å; F108-L140 HydrophobicContact CG-CD1 3.68Å; F108-L140 HydrophobicContact CG-CD2 4.14Å; F108-L140 HydrophobicContact CZ-CB 4.2Å; F108-L140 HydrophobicContact CZ-CD1 3.82Å; F108-L140 HydrophobicContact CZ-CG 4.42Å; F108-V146 HydrophobicContact CD2-CG1 4.1Å; F108-V146 HydrophobicContact CE2-CG1 3.75Å; F108-V146 HydrophobicContact CE2-CG2 4.45Å |
| 109 | L | 96.9 | Very high | 96.5 | Very high | 20 Ų | 20 | 24.1 Ų | 24.1 | 11% | 0.105 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 105.4 | 176.5 | -70.2 | 161.7 | 0 | 0 | 0 | 109.1 | L107 D111 G112 G113 H114 A116 P183 | L107-L109 HydrophobicContact CD2-CD2 3.79Å; L107-L109 HydrophobicContact CD2-CG 4.07Å; L107-L109 HydrophobicContact CG-CD2 4.16Å; L107-L109 HydrophobicContact CG-CG 4.04Å; L109-D111 PolarHBondContact O-N 3.33Å; L109-G112 CarbonylContact O-C 3.58Å; L109-G112 PolarHBondContact O-N 3.46Å; L109-G113 WeakPolarHBondContact O-CA 3.32Å; L109-G113 PolarHBondContact O-N 2.78Å; L109-H114 WeakPolarHBondContact CD1-NE2 3.48Å; L109-H114 PolarHBondContact N-O 3.05Å; L109-H114 PolarHBondContact O-N 2.8Å; L109-A116 HydrophobicContact CD1-CB 3.97Å; L109-P183 HydrophobicContact CD2-CB 4.02Å; L109-P183 HydrophobicContact CD2-CG 3.6Å |
| 110 | R | 95.3 | Very high | 96.8 | Very high | 69 Ų | 69 | 22 Ų | 22 | 26% | 0.26 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -45.2 | -177.9 | -177.2 | 165.1 | -65.9 | -77.9 | -6.7 | 112.9 | L80 A81 R83 R84 F108 G112 G113 L140 | L80-R110 PolarHBondContact O-NH2 3.24Å; A81-R110 PolarHBondContact O-NH1 3.04Å; A81-R110 PolarHBondContact O-NH2 3.36Å; A81-R110 VanDerWaalsContact O-NH2 3.1Å; R83-R110 PolarHBondContact O-NE 3.11Å; R83-R110 PolarHBondContact O-NH2 2.9Å; R84-R110 HydrophobicContact CG-CB 4.35Å; R84-R110 VanDerWaalsContact O-CB 3.24Å; R84-R110 WeakPolarHBondContact O-CB 3.47Å; R84-R110 PolarHBondContact O-N 3.1Å; F108-R110 HydrophobicContact CE1-CB 3.92Å; F108-R110 HydrophobicContact CE1-CG 4.48Å; F108-R110 HydrophobicContact CZ-CB 4.42Å; R110-G112 VanDerWaalsContact C-N 3.29Å; R110-G112 PolarHBondContact O-N 2.82Å; R110-G113 PolarHBondContact O-N 2.94Å; R110-L140 VanDerWaalsContact CZ-O 3.28Å; R110-L140 PolarHBondContact NH1-O 2.75Å; R110-L140 PolarHBondContact NH2-O 3.31Å |
| 111 | D | 92.6 | Very high | 96.8 | Very high | 104 Ų | 104 | 25.5 Ų | 25.5 | 56% | 0.556 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -37.3 | -177.4 | -51.3 | -30.9 | 0 | 0 | 0 | 112.2 | R84 L109 G113 | R84-D111 IonicContact CZ-OD1 2.89Å; R84-D111 IonicContact CZ-OD2 3.44Å; R84-D111 VanDerWaalsContact NE-CG 3.28Å; R84-D111 IonicContact NE-OD1 2.65Å; R84-D111 PolarHBondContact NE-OD1 3.29Å; R84-D111 IonicContact NE-OD2 3.98Å; R84-D111 PolarHBondContact NE-OD2 2.84Å; R84-D111 IonicContact NH2-OD1 3.07Å; R84-D111 IonicContact NH2-OD2 3.59Å; R84-D111 PolarHBondContact NH2-OD2 2.94Å; L109-D111 PolarHBondContact O-N 3.33Å; D111-G113 VanDerWaalsContact C-N 3.31Å |
| 112 | G | 91.7 | Very high | 96.5 | Very high | 49 Ų | 49 | 27.3 Ų | 27.3 | 51% | 0.505 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -7.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L109 R110 H114 | L109-G112 CarbonylContact O-C 3.58Å; L109-G112 PolarHBondContact O-N 3.46Å; R110-G112 VanDerWaalsContact C-N 3.29Å; R110-G112 PolarHBondContact O-N 2.82Å; G112-H114 VanDerWaalsContact C-N 3.27Å; G112-H114 PolarHBondContact O-N 2.83Å; G112-H114 PolarHBondContact O-ND1 2.83Å |
| 113 | G | 94.9 | Very high | 95.8 | Very high | 34 Ų | 34 | 28.7 Ų | 28.7 | 35% | 0.351 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 34.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | L109 R110 D111 P147 | L109-G113 WeakPolarHBondContact O-CA 3.32Å; L109-G113 PolarHBondContact O-N 2.78Å; R110-G113 PolarHBondContact O-N 2.94Å; D111-G113 VanDerWaalsContact C-N 3.31Å; G113-P147 VanDerWaalsContact O-CD 3.22Å; G113-P147 WeakPolarHBondContact O-CD 3.42Å |
| 114 | H | 97.3 | Very high | 95.1 | Very high | 37 Ų | 37 | 29.7 Ų | 29.7 | 17% | 0.171 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 162.7 | -176 | 69 | -81.1 | 0 | 0 | 0 | 113 | F108 L109 G112 P147 | F108-H114 WeakPolarHBondContact CD2-O 3.13Å; L109-H114 WeakPolarHBondContact CD1-NE2 3.48Å; L109-H114 PolarHBondContact N-O 3.05Å; L109-H114 PolarHBondContact O-N 2.8Å; G112-H114 VanDerWaalsContact C-N 3.27Å; G112-H114 PolarHBondContact O-N 2.83Å; G112-H114 PolarHBondContact O-ND1 2.83Å; H114-P147 WeakPolarHBondContact CA-O 3.43Å; H114-P147 HydrophobicContact CB-CB 4.07Å; H114-P147 HydrophobicContact CB-CG 4.48Å; H114-P147 WeakPolarHBondContact CB-O 3.39Å |
| 115 | F | 98.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.009 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 130.2 | 165.9 | -70 | -80.1 | 0 | 0 | 0 | 110.4 | L106 L107 F108 A133 L136 L140 V146 P147 F148 V149 | L106-F115 HydrophobicContact CD1-CB 4Å; L106-F115 HydrophobicContact CD1-CD1 4.09Å; L106-F115 HydrophobicContact CD1-CG 4.43Å; L106-F115 HydrophobicContact CD2-CD1 4.23Å; L106-F115 HydrophobicContact CG-CD1 4.14Å; L107-F115 CarbonylContact O-C 3.58Å; L107-F115 WeakPolarHBondContact O-CA 3.4Å; F108-F115 HydrophobicContact CB-CD1 3.86Å; F108-F115 HydrophobicContact CB-CE1 3.75Å; F108-F115 HydrophobicContact CD2-CD1 4.19Å; F108-F115 HydrophobicContact CD2-CE1 4.11Å; F108-F115 HydrophobicContact CD2-CE2 4.43Å; F108-F115 HydrophobicContact CD2-CG 4.41Å; F108-F115 HydrophobicContact CD2-CZ 4.24Å; F108-F115 HydrophobicContact CG-CD1 4.49Å; F108-F115 HydrophobicContact CG-CE1 4.25Å; F115-A133 HydrophobicContact CB-CB 4.44Å; F115-A133 HydrophobicContact CD1-CB 4.04Å; F115-A133 HydrophobicContact CD2-CB 3.63Å; F115-A133 HydrophobicContact CE1-CB 4.11Å; F115-A133 HydrophobicContact CE2-CB 3.71Å; F115-A133 HydrophobicContact CG-CB 3.79Å; F115-A133 HydrophobicContact CZ-CB 3.94Å; F115-L136 HydrophobicContact CE1-CD2 4Å; F115-L136 HydrophobicContact CZ-CB 4.16Å; F115-L136 HydrophobicContact CZ-CD2 4.33Å; F115-L140 HydrophobicContact CE1-CD1 4.07Å; F115-L140 HydrophobicContact CE2-CD1 3.98Å; F115-L140 HydrophobicContact CZ-CD1 3.38Å; F115-V146 HydrophobicContact CD2-CB 4Å; F115-V146 HydrophobicContact CD2-CG1 3.34Å; F115-V146 HydrophobicContact CE2-CB 3.83Å; F115-V146 HydrophobicContact CE2-CG1 3.52Å; F115-V146 HydrophobicContact CG-CG1 4.3Å; F115-P147 PolarHBondContact N-O 3.31Å; F115-F148 HydrophobicContact CB-CD2 3.98Å; F115-V149 PolarHBondContact O-N 2.86Å |
| 116 | A | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 122 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109 | L107 L109 Y118 E151 | L107-A116 HydrophobicContact CB-CB 4.47Å; L107-A116 PolarHBondContact N-O 3.39Å; L107-A116 PolarHBondContact O-N 3.35Å; L109-A116 HydrophobicContact CD1-CB 3.97Å; A116-Y118 HydrophobicContact CB-CE2 3.86Å; A116-E151 HydrophobicContact CB-CG 3.63Å |
| 117 | H | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.9 | 179 | -179.9 | -123.3 | 0 | 0 | 0 | 110.3 | S104 L105 L106 D119 A129 F148 V149 E150 E151 | S104-H117 WeakPolarHBondContact CB-NE2 3.42Å; S104-H117 PolarHBondContact OG-NE2 3.48Å; L105-H117 WeakPolarHBondContact O-CA 3.4Å; L105-H117 PolarHBondContact O-CD2 3.45Å; L106-H117 HydrophobicContact CD1-CB 4.17Å; H117-D119 IonicContact CE1-OD2 3.73Å; H117-A129 WeakPolarHBondContact CD2-CB 3.41Å; H117-A129 WeakPolarHBondContact NE2-CB 3.45Å; H117-F148 HydrophobicContact CB-CE1 3.96Å; H117-F148 HydrophobicContact CB-CE2 3.98Å; H117-F148 HydrophobicContact CB-CZ 3.37Å; H117-F148 AromaticContact CG-CZ 3.75Å; H117-F148 AromaticContact ND1-CZ 3.99Å; H117-V149 PolarHBondContact N-O 2.88Å; H117-E150 IonicContact CE1-OE2 3.88Å; H117-E150 IonicContact CG-OE2 3.25Å; H117-E150 IonicContact ND1-OE1 2.64Å; H117-E150 PolarHBondContact ND1-OE1 2.9Å; H117-E150 IonicContact ND1-OE2 3.25Å; H117-E150 PolarHBondContact ND1-OE2 3.28Å; H117-E151 PolarHBondContact O-N 3.02Å |
| 118 | Y | 98.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 113.8 | -180 | -56.8 | -87.8 | 0 | 0 | 0 | 109.2 | S104 L105 L107 A116 E151 L173 L185 | S104-Y118 WeakPolarHBondContact CB-O 2.93Å; L105-Y118 HydrophobicContact CD2-CD2 4.22Å; L105-Y118 HydrophobicContact CG-CD2 4.49Å; L105-Y118 PolarHBondContact N-O 3.31Å; L105-Y118 PolarHBondContact O-N 3.4Å; L107-Y118 HydrophobicContact CB-CE2 4.25Å; L107-Y118 HydrophobicContact CD2-CE2 4.42Å; A116-Y118 HydrophobicContact CB-CE2 3.86Å; Y118-E151 HydrophobicContact CD1-CB 3.49Å; Y118-E151 VanDerWaalsContact CD1-CB 3.49Å; Y118-E151 HydrophobicContact CD1-CG 4.28Å; Y118-E151 HydrophobicContact CE1-CB 3.26Å; Y118-E151 HydrophobicContact CE1-CG 3.66Å; Y118-E151 HydrophobicContact CE2-CG 4.36Å; Y118-E151 HydrophobicContact CG-CB 4.24Å; Y118-L173 HydrophobicContact CD2-CD1 4.07Å; Y118-L173 HydrophobicContact CE2-CD1 3.63Å; Y118-L173 HydrophobicContact CE2-CD2 4.45Å; Y118-L185 HydrophobicContact CD1-CB 4.42Å; Y118-L185 HydrophobicContact CD1-CD2 3.6Å; Y118-L185 HydrophobicContact CE1-CB 3.87Å; Y118-L185 HydrophobicContact CE1-CD2 3.93Å; Y118-L185 HydrophobicContact CE1-CG 4.48Å; Y118-L185 HydrophobicContact CG-CD2 4.45Å |
| 119 | D | 98 | Very high | 94.8 | Very high | 6 Ų | 6 | 38.3 Ų | 38.3 | 3% | 0.032 | 24% | 0.241 | C | C | . | . | trans | -127.4 | 115.1 | -175 | -168.8 | -20.3 | 0 | 0 | 0 | 110.7 | H102 H117 Q121 S122 G123 G124 N125 C153 | H102-D119 IonicContact CD2-OD1 2.67Å; H102-D119 IonicContact CE1-OD1 2.72Å; H102-D119 IonicContact NE2-OD1 2.77Å; H102-D119 PolarHBondContact NE2-OD1 3.22Å; H102-D119 IonicContact NE2-OD2 3.17Å; H117-D119 IonicContact CE1-OD2 3.73Å; D119-Q121 PolarHBondContact O-N 3.47Å; D119-Q121 WeakPolarHBondContact OD1-CA 3.38Å; D119-Q121 PolarHBondContact OD1-N 3.27Å; D119-S122 PolarHBondContact O-N 2.94Å; D119-G123 PolarHBondContact OD2-N 3.12Å; D119-G124 PolarHBondContact OD2-N 3.33Å; D119-G124 VanDerWaalsContact OD2-N 3.08Å; D119-N125 PolarHBondContact OD2-N 2.87Å; D119-C153 VanDerWaalsContact C-SG 3.57Å; D119-C153 WeakPolarHBondContact O-CB 3.45Å | ||
| 120 | S | 97.3 | Very high | 94.8 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.028 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -11.4 | 178.5 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | P154 L155 Q156 | S120-P154 WeakPolarHBondContact CA-O 3.42Å; S120-L155 WeakPolarHBondContact O-CA 3.45Å; S120-Q156 PolarHBondContact O-N 2.83Å; S120-Q156 PolarHBondContact OG-OE1 2.83Å |
| 121 | Q | 93.6 | Very high | 94.9 | Very high | 106 Ų | 106 | 45.2 Ų | 45.2 | 50% | 0.495 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 47.1 | 172.2 | -163.6 | -176.3 | -28.6 | 0 | 0 | 110.7 | H102 D119 G123 G124 | H102-Q121 VanDerWaalsContact CE1-CB 3.42Å; H102-Q121 WeakPolarHBondContact CE1-CB 3.18Å; H102-Q121 WeakPolarHBondContact NE2-CB 3.34Å; D119-Q121 PolarHBondContact O-N 3.47Å; D119-Q121 WeakPolarHBondContact OD1-CA 3.38Å; D119-Q121 PolarHBondContact OD1-N 3.27Å; Q121-G123 PolarHBondContact O-N 3.35Å; Q121-G124 PolarHBondContact O-N 3.03Å |
| 122 | S | 85.9 | Confident | 95.2 | Very high | 100 Ų | 100 | 40.3 Ų | 40.3 | 70% | 0.699 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 27.6 | 73.5 | 166.9 | -172.6 | 0 | 0 | 0 | 0 | 115.8 | D119 | D119-S122 PolarHBondContact O-N 2.94Š|
| 123 | G | 82.9 | Confident | 95.5 | Very high | 35 Ų | 35 | 38.2 Ų | 38.2 | 36% | 0.361 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 0.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | D119 Q121 N125 S126 | D119-G123 PolarHBondContact OD2-N 3.12Å; Q121-G123 PolarHBondContact O-N 3.35Å; G123-N125 PolarHBondContact O-N 3.44Å; G123-N125 VanDerWaalsContact O-N 3.11Å; G123-S126 PolarHBondContact O-N 3.08Å; G123-S126 VanDerWaalsContact O-N 3.17Å |
| 124 | G | 84.3 | Confident | 95.5 | Very high | 45 Ų | 45 | 41.4 Ų | 41.4 | 46% | 0.464 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -31.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | D119 Q121 | D119-G124 PolarHBondContact OD2-N 3.33Å; D119-G124 VanDerWaalsContact OD2-N 3.08Å; Q121-G124 PolarHBondContact O-N 3.03Å |
| 125 | N | 95.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.6 | 6.7 | -178.7 | -133.5 | -3.7 | 0 | 0 | 0 | 115.3 | V90 D92 S104 D119 G123 L127 H128 A129 | V90-N125 WeakPolarHBondContact CG1-ND2 3.31Å; V90-N125 PolarHBondContact O-ND2 3.11Å; D92-N125 WeakPolarHBondContact CA-OD1 3.47Å; D92-N125 WeakPolarHBondContact CB-OD1 3.29Å; D92-N125 PolarHBondContact N-OD1 2.74Å; S104-N125 WeakPolarHBondContact OG-CB 3.41Å; S104-N125 PolarHBondContact OG-ND2 3.02Å; D119-N125 PolarHBondContact OD2-N 2.87Å; G123-N125 PolarHBondContact O-N 3.44Å; G123-N125 VanDerWaalsContact O-N 3.11Å; N125-L127 VanDerWaalsContact C-N 3.3Å; N125-L127 PolarHBondContact O-N 3.1Å; N125-H128 PolarHBondContact O-N 2.92Å; N125-H128 WeakPolarHBondContact OD1-CB 3.31Å; N125-H128 PolarHBondContact OD1-CD2 3.48Å; N125-A129 PolarHBondContact O-N 3.21Å |
| 126 | S | 97.2 | Very high | 95.4 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 15% | 0.154 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -55 | -42.7 | -171 | -173.5 | 0 | 0 | 0 | 0 | 113.1 | G123 H128 A129 R130 E150 | G123-S126 PolarHBondContact O-N 3.08Å; G123-S126 VanDerWaalsContact O-N 3.17Å; S126-H128 VanDerWaalsContact C-N 3.33Å; S126-H128 PolarHBondContact O-N 3.25Å; S126-A129 PolarHBondContact O-N 2.85Å; S126-R130 WeakPolarHBondContact O-CB 3.34Å; S126-R130 VanDerWaalsContact O-CG 3.28Å; S126-R130 WeakPolarHBondContact O-CG 3.45Å; S126-R130 PolarHBondContact O-N 3.04Å; S126-R130 PolarHBondContact OG-NE 2.9Å; S126-E150 WeakPolarHBondContact CB-OE1 3.29Å; S126-E150 PolarHBondContact OG-OE1 3.1Å |
| 127 | L | 97.3 | Very high | 95.2 | Very high | 134 Ų | 134 | 43.9 Ų | 43.9 | 70% | 0.702 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -61.6 | -42.1 | 179.9 | -178.7 | 64.6 | 0 | 0 | 0 | 111.8 | N125 R131 | N125-L127 VanDerWaalsContact C-N 3.3Å; N125-L127 PolarHBondContact O-N 3.1Å; L127-R131 WeakPolarHBondContact O-CB 3.39Å; L127-R131 PolarHBondContact O-N 3.34Å |
| 128 | H | 98.1 | Very high | 94.9 | Very high | 30 Ų | 30 | 48.6 Ų | 48.6 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.5 | -43.6 | -179.8 | -60 | -78.2 | 0 | 0 | 0 | 111 | K63 V90 D92 N125 S126 R130 R131 I132 | K63-H128 HydrophobicContact CD-CB 4.02Å; V90-H128 HydrophobicContact CG1-CB 3.78Å; D92-H128 PolarHBondContact O-CE1 2.8Å; D92-H128 PolarHBondContact O-NE2 3.47Å; N125-H128 PolarHBondContact O-N 2.92Å; N125-H128 WeakPolarHBondContact OD1-CB 3.31Å; N125-H128 PolarHBondContact OD1-CD2 3.48Å; S126-H128 VanDerWaalsContact C-N 3.33Å; S126-H128 PolarHBondContact O-N 3.25Å; H128-R130 PolarHBondContact O-N 3.49Å; H128-R131 PolarHBondContact O-N 2.94Å; H128-I132 WeakPolarHBondContact O-CD1 3.44Å; H128-I132 WeakPolarHBondContact O-CG1 3.36Å; H128-I132 PolarHBondContact O-N 3.48Å |
| 129 | A | 98.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.4 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | V90 L106 H117 N125 S126 R131 I132 A133 F148 | V90-A129 HydrophobicContact CG1-CB 4.3Å; V90-A129 HydrophobicContact CG2-CB 4.26Å; L106-A129 HydrophobicContact CD1-CB 4.47Å; H117-A129 WeakPolarHBondContact CD2-CB 3.41Å; H117-A129 WeakPolarHBondContact NE2-CB 3.45Å; N125-A129 PolarHBondContact O-N 3.21Å; S126-A129 PolarHBondContact O-N 2.85Å; A129-R131 PolarHBondContact O-N 3.46Å; A129-I132 PolarHBondContact O-N 3.33Å; A129-A133 WeakPolarHBondContact O-CB 3.33Å; A129-A133 PolarHBondContact O-N 2.88Å; A129-F148 HydrophobicContact CB-CE2 3.85Å; A129-F148 HydrophobicContact CB-CZ 3.84Å |
| 130 | R | 98.2 | Very high | 94.5 | Very high | 107 Ų | 107 | 50.1 Ų | 50.1 | 40% | 0.404 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 175.1 | -73 | 175.3 | -168.6 | -79.2 | -3 | 112.1 | S126 H128 I132 A133 T134 F148 E150 | S126-R130 WeakPolarHBondContact O-CB 3.34Å; S126-R130 VanDerWaalsContact O-CG 3.28Å; S126-R130 WeakPolarHBondContact O-CG 3.45Å; S126-R130 PolarHBondContact O-N 3.04Å; S126-R130 PolarHBondContact OG-NE 2.9Å; H128-R130 PolarHBondContact O-N 3.49Å; R130-I132 VanDerWaalsContact C-N 3.31Å; R130-I132 PolarHBondContact O-N 3.09Å; R130-A133 PolarHBondContact O-N 3.24Å; R130-T134 PolarHBondContact O-N 2.84Å; R130-T134 PolarHBondContact O-OG1 2.9Å; R130-T134 VanDerWaalsContact O-OG1 3.1Å; R130-F148 HydrophobicContact CG-CD1 3.95Å; R130-F148 HydrophobicContact CG-CD2 3.88Å; R130-F148 HydrophobicContact CG-CE1 3.85Å; R130-F148 HydrophobicContact CG-CE2 3.77Å; R130-F148 HydrophobicContact CG-CG 3.95Å; R130-F148 HydrophobicContact CG-CZ 3.75Å; R130-E150 IonicContact NH2-OE1 3.65Å |
| 131 | R | 97.6 | Very high | 93.9 | Very high | 127 Ų | 127 | 52.8 Ų | 52.8 | 48% | 0.479 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 177.3 | -175.7 | 175.5 | -179.7 | -179.6 | -2.7 | 111.7 | K63 L127 H128 A129 K135 | K63-R131 HydrophobicContact CG-CG 4.47Å; K63-R131 PolarHBondContact O-NE 2.93Å; K63-R131 VanDerWaalsContact O-NE 3.08Å; K63-R131 PolarHBondContact O-NH2 3.45Å; L127-R131 WeakPolarHBondContact O-CB 3.39Å; L127-R131 PolarHBondContact O-N 3.34Å; H128-R131 PolarHBondContact O-N 2.94Å; A129-R131 PolarHBondContact O-N 3.46Å; R131-K135 WeakPolarHBondContact O-CG 3.16Å; R131-K135 PolarHBondContact O-N 2.57Å |
| 132 | I | 97.9 | Very high | 93.1 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -49.4 | 174.9 | -67.9 | 157.7 | 0 | 0 | 0 | 110.2 | T59 I62 K63 L88 V90 L106 H128 A129 R130 T134 K135 L136 | T59-I132 HydrophobicContact CG2-CD1 3.6Å; T59-I132 HydrophobicContact CG2-CG1 4.42Å; T59-I132 HydrophobicContact CG2-CG2 4.49Å; I62-I132 HydrophobicContact CG2-CG2 4.06Å; K63-I132 HydrophobicContact CB-CD1 4.16Å; K63-I132 HydrophobicContact CB-CG1 3.68Å; K63-I132 HydrophobicContact CD-CD1 4.25Å; K63-I132 HydrophobicContact CD-CG1 4.39Å; K63-I132 HydrophobicContact CG-CD1 4.34Å; K63-I132 HydrophobicContact CG-CG1 3.95Å; L88-I132 HydrophobicContact CD2-CG2 3.9Å; V90-I132 HydrophobicContact CB-CD1 4.24Å; V90-I132 HydrophobicContact CG1-CD1 3.72Å; V90-I132 HydrophobicContact CG2-CD1 3.86Å; L106-I132 HydrophobicContact CD2-CB 4.16Å; L106-I132 HydrophobicContact CD2-CG2 3.84Å; H128-I132 WeakPolarHBondContact O-CD1 3.44Å; H128-I132 WeakPolarHBondContact O-CG1 3.36Å; H128-I132 PolarHBondContact O-N 3.48Å; A129-I132 PolarHBondContact O-N 3.33Å; R130-I132 VanDerWaalsContact C-N 3.31Å; R130-I132 PolarHBondContact O-N 3.09Å; I132-T134 VanDerWaalsContact C-N 3.35Å; I132-T134 PolarHBondContact O-N 3.21Å; I132-K135 PolarHBondContact O-N 3.47Å; I132-K135 VanDerWaalsContact O-N 3.08Å; I132-L136 WeakPolarHBondContact O-CB 3.32Å; I132-L136 PolarHBondContact O-N 3.07Å |
| 133 | A | 97.9 | Very high | 92.7 | Very high | 5 Ų | 5 | 49.2 Ų | 49.2 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -55.1 | -46.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L106 F115 A129 R130 K135 L136 E137 F148 | L106-A133 HydrophobicContact CD2-CB 4.3Å; F115-A133 HydrophobicContact CB-CB 4.44Å; F115-A133 HydrophobicContact CD1-CB 4.04Å; F115-A133 HydrophobicContact CD2-CB 3.63Å; F115-A133 HydrophobicContact CE1-CB 4.11Å; F115-A133 HydrophobicContact CE2-CB 3.71Å; F115-A133 HydrophobicContact CG-CB 3.79Å; F115-A133 HydrophobicContact CZ-CB 3.94Å; A129-A133 WeakPolarHBondContact O-CB 3.33Å; A129-A133 PolarHBondContact O-N 2.88Å; R130-A133 PolarHBondContact O-N 3.24Å; A133-K135 VanDerWaalsContact C-N 3.29Å; A133-K135 PolarHBondContact O-N 3.35Å; A133-L136 PolarHBondContact O-N 2.77Å; A133-E137 WeakPolarHBondContact O-CB 3.49Å; A133-E137 PolarHBondContact O-N 2.9Å; A133-F148 HydrophobicContact CB-CD2 3.98Å; A133-F148 HydrophobicContact CB-CE2 4.47Å |
| 134 | T | 96.1 | Very high | 92.8 | Very high | 101 Ų | 101 | 57.6 Ų | 57.6 | 62% | 0.62 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.2 | -37.4 | 177.5 | -61.8 | 0 | 0 | 0 | 0 | 112.7 | R130 I132 | R130-T134 PolarHBondContact O-N 2.84Å; R130-T134 PolarHBondContact O-OG1 2.9Å; R130-T134 VanDerWaalsContact O-OG1 3.1Å; I132-T134 VanDerWaalsContact C-N 3.35Å; I132-T134 PolarHBondContact O-N 3.21Å |
| 135 | K | 96.1 | Very high | 93.1 | Very high | 41 Ų | 41 | 64.2 Ų | 64.2 | 18% | 0.178 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -78.3 | -29 | 179.1 | -74.4 | -177.9 | 167.5 | -172.9 | 0 | 113.4 | I62 K63 A65 L71 R131 I132 A133 P138 F139 | I62-K135 HydrophobicContact CG2-CB 4.05Å; I62-K135 WeakPolarHBondContact O-CD 3.22Å; I62-K135 PolarHBondContact O-NZ 3.08Å; K63-K135 VanDerWaalsContact C-NZ 3.27Å; K63-K135 PolarHBondContact O-NZ 3.28Å; A65-K135 WeakPolarHBondContact O-CE 3.44Å; A65-K135 PolarHBondContact O-NZ 3.17Å; L71-K135 HydrophobicContact CD2-CB 3.98Å; L71-K135 HydrophobicContact CD2-CD 4.48Å; R131-K135 WeakPolarHBondContact O-CG 3.16Å; R131-K135 PolarHBondContact O-N 2.57Å; I132-K135 PolarHBondContact O-N 3.47Å; I132-K135 VanDerWaalsContact O-N 3.08Å; A133-K135 VanDerWaalsContact C-N 3.29Å; A133-K135 PolarHBondContact O-N 3.35Å; K135-P138 WeakPolarHBondContact O-CD 3.47Å; K135-F139 WeakPolarHBondContact O-CD2 3.28Å; K135-F139 WeakPolarHBondContact O-CE2 3.1Å |
| 136 | L | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -79.4 | -30.5 | 178.6 | -154.2 | 74.1 | 0 | 0 | 0 | 112 | I62 L75 L80 V86 L88 F115 I132 A133 P138 F139 L140 | I62-L136 HydrophobicContact CD1-CD1 3.98Å; I62-L136 HydrophobicContact CG2-CD1 4.5Å; L75-L136 HydrophobicContact CD1-CD1 3.92Å; L80-L136 HydrophobicContact CD1-CD1 3.54Å; L80-L136 HydrophobicContact CD1-CG 4.04Å; V86-L136 HydrophobicContact CG1-CD2 4.25Å; L88-L136 HydrophobicContact CD1-CD2 4.07Å; L88-L136 HydrophobicContact CD2-CD2 4.11Å; F115-L136 HydrophobicContact CE1-CD2 4Å; F115-L136 HydrophobicContact CZ-CB 4.16Å; F115-L136 HydrophobicContact CZ-CD2 4.33Å; I132-L136 WeakPolarHBondContact O-CB 3.32Å; I132-L136 PolarHBondContact O-N 3.07Å; A133-L136 PolarHBondContact O-N 2.77Å; L136-P138 VanDerWaalsContact C-CD 3.43Å; L136-F139 WeakPolarHBondContact O-CB 3.49Å; L136-F139 PolarHBondContact O-N 2.72Å; L136-L140 HydrophobicContact CD2-CD2 4.3Å; L136-L140 HydrophobicContact CG-CD2 4.39Å |
| 137 | E | 94.6 | Very high | 93.1 | Very high | 50 Ų | 50 | 67.3 Ų | 67.3 | 23% | 0.234 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -44.8 | -47.8 | -176 | 177.5 | 175.5 | 119.5 | 0 | 0 | 114.7 | A133 F139 L140 K145 V146 | A133-E137 WeakPolarHBondContact O-CB 3.49Å; A133-E137 PolarHBondContact O-N 2.9Å; E137-F139 PolarHBondContact O-N 3.47Å; E137-F139 VanDerWaalsContact O-N 3.15Å; E137-L140 PolarHBondContact O-N 3.15Å; E137-K145 WeakPolarHBondContact OE1-CA 3.21Å; E137-V146 HydrophobicContact CG-CB 4.33Å; E137-V146 HydrophobicContact CG-CG2 3.89Å; E137-V146 PolarHBondContact OE2-N 3.21Å |
| 138 | P | 93.4 | Very high | 93.1 | Very high | 99 Ų | 99 | 62.7 Ų | 62.7 | 64% | 0.643 | 34% | 0.337 | S | S | * | . | G | 310 helix | trans | -61.1 | -25.7 | -179.9 | -24 | 36 | 0 | 0 | 0 | 114.2 | K135 L136 | K135-P138 WeakPolarHBondContact O-CD 3.47Å; L136-P138 VanDerWaalsContact C-CD 3.43Å |
| 139 | F | 94.5 | Very high | 93.1 | Very high | 45 Ų | 45 | 63.8 Ų | 63.8 | 20% | 0.197 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -90.4 | -6.1 | -175.2 | -57.3 | -79.4 | 0 | 0 | 0 | 113.4 | L71 A72 L75 L80 A81 K135 L136 E137 | L71-F139 HydrophobicContact CD2-CE2 3.91Å; L71-F139 HydrophobicContact CD2-CZ 4.47Å; L71-F139 HydrophobicContact CG-CE2 4.04Å; L71-F139 HydrophobicContact CG-CZ 4.24Å; A72-F139 VanDerWaalsContact CA-CE1 3.46Å; A72-F139 HydrophobicContact CB-CE1 3.63Å; A72-F139 HydrophobicContact CB-CZ 3.9Å; L75-F139 HydrophobicContact CB-CD1 4.19Å; L75-F139 HydrophobicContact CB-CE1 4.48Å; L75-F139 HydrophobicContact CB-CG 4.3Å; L75-F139 HydrophobicContact CD1-CD1 4.44Å; L75-F139 HydrophobicContact CD1-CD2 3.55Å; L75-F139 HydrophobicContact CD1-CE2 3.76Å; L75-F139 HydrophobicContact CD1-CG 3.92Å; L75-F139 HydrophobicContact CD1-CZ 4.3Å; L80-F139 HydrophobicContact CD1-CB 4.22Å; A81-F139 PolarHBondContact N-O 3.08Å; K135-F139 WeakPolarHBondContact O-CD2 3.28Å; K135-F139 WeakPolarHBondContact O-CE2 3.1Å; L136-F139 WeakPolarHBondContact O-CB 3.49Å; L136-F139 PolarHBondContact O-N 2.72Å; E137-F139 PolarHBondContact O-N 3.47Å; E137-F139 VanDerWaalsContact O-N 3.15Å |
| 140 | L | 92.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -86 | -8.2 | -177.2 | -62.4 | 177.4 | 0 | 0 | 0 | 113.4 | L80 V86 F108 R110 F115 L136 E137 S142 | L80-L140 HydrophobicContact CB-CD2 4.19Å; V86-L140 HydrophobicContact CG2-CD2 4.41Å; F108-L140 HydrophobicContact CB-CD1 4.47Å; F108-L140 HydrophobicContact CD1-CD1 3.9Å; F108-L140 HydrophobicContact CD1-CD2 3.69Å; F108-L140 HydrophobicContact CD1-CG 4.32Å; F108-L140 HydrophobicContact CD2-CD1 3.53Å; F108-L140 HydrophobicContact CE1-CB 4.2Å; F108-L140 HydrophobicContact CE1-CD1 3.96Å; F108-L140 HydrophobicContact CE1-CD2 3.92Å; F108-L140 HydrophobicContact CE1-CG 4.25Å; F108-L140 HydrophobicContact CE2-CD1 3.62Å; F108-L140 HydrophobicContact CG-CD1 3.68Å; F108-L140 HydrophobicContact CG-CD2 4.14Å; F108-L140 HydrophobicContact CZ-CB 4.2Å; F108-L140 HydrophobicContact CZ-CD1 3.82Å; F108-L140 HydrophobicContact CZ-CG 4.42Å; R110-L140 VanDerWaalsContact CZ-O 3.28Å; R110-L140 PolarHBondContact NH1-O 2.75Å; R110-L140 PolarHBondContact NH2-O 3.31Å; F115-L140 HydrophobicContact CE1-CD1 4.07Å; F115-L140 HydrophobicContact CE2-CD1 3.98Å; F115-L140 HydrophobicContact CZ-CD1 3.38Å; L136-L140 HydrophobicContact CD2-CD2 4.3Å; L136-L140 HydrophobicContact CG-CD2 4.39Å; E137-L140 PolarHBondContact O-N 3.15Å; L140-S142 PolarHBondContact O-N 3.15Å |
| 141 | G | 85 | Confident | 93 | Very high | 61 Ų | 61 | 64.9 Ų | 64.9 | 63% | 0.629 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 20.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 142 | S | 76.7 | Confident | 92.8 | Very high | 47 Ų | 47 | 63.2 Ų | 63.2 | 33% | 0.329 | 36% | 0.361 | S | S | . | . | trans | -76.3 | -26.1 | 179.4 | 61.1 | 0 | 0 | 0 | 0 | 113.2 | L140 R144 | L140-S142 PolarHBondContact O-N 3.15Å; S142-R144 PolarHBondContact O-N 3.32Å; S142-R144 PolarHBondContact OG-O 3.4Å | ||
| 143 | G | 76.7 | Confident | 92.6 | Very high | 84 Ų | 84 | 64 Ų | 64 | 87% | 0.866 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 60.7 | 9.5 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 144 | R | 84.3 | Confident | 92.5 | Very high | 210 Ų | 210 | 64 Ų | 64 | 79% | 0.792 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -147.2 | 154.7 | -173.7 | -69 | -176.7 | 168.3 | -177.3 | -3.1 | 109.9 | S142 V146 | S142-R144 PolarHBondContact O-N 3.32Å; S142-R144 PolarHBondContact OG-O 3.4Å; R144-V146 PolarHBondContact O-N 3.33Å |
| 145 | K | 91.1 | Very high | 92.4 | Very high | 185 Ų | 185 | 64.2 Ų | 64.2 | 80% | 0.804 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 124.9 | 172.6 | -172.5 | 174.3 | -177.5 | 176.4 | 0 | 110.5 | E137 | E137-K145 WeakPolarHBondContact OE1-CA 3.21Š|
| 146 | V | 95.8 | Very high | 92.4 | Very high | 11 Ų | 11 | 63.5 Ų | 63.5 | 7% | 0.067 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -92.4 | 121.4 | -178.1 | 179.6 | 0 | 0 | 0 | 0 | 108.1 | F108 F115 E137 R144 | F108-V146 HydrophobicContact CD2-CG1 4.1Å; F108-V146 HydrophobicContact CE2-CG1 3.75Å; F108-V146 HydrophobicContact CE2-CG2 4.45Å; F115-V146 HydrophobicContact CD2-CB 4Å; F115-V146 HydrophobicContact CD2-CG1 3.34Å; F115-V146 HydrophobicContact CE2-CB 3.83Å; F115-V146 HydrophobicContact CE2-CG1 3.52Å; F115-V146 HydrophobicContact CG-CG1 4.3Å; E137-V146 HydrophobicContact CG-CB 4.33Å; E137-V146 HydrophobicContact CG-CG2 3.89Å; E137-V146 PolarHBondContact OE2-N 3.21Å; R144-V146 PolarHBondContact O-N 3.33Å |
| 147 | P | 97.3 | Very high | 92.4 | Very high | 76 Ų | 76 | 71.2 Ų | 71.2 | 49% | 0.494 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -60 | 150.8 | 175.4 | -23.1 | 35.1 | 0 | 0 | 0 | 111.8 | G113 H114 F115 | G113-P147 VanDerWaalsContact O-CD 3.22Å; G113-P147 WeakPolarHBondContact O-CD 3.42Å; H114-P147 WeakPolarHBondContact CA-O 3.43Å; H114-P147 HydrophobicContact CB-CB 4.07Å; H114-P147 HydrophobicContact CB-CG 4.48Å; H114-P147 WeakPolarHBondContact CB-O 3.39Å; F115-P147 PolarHBondContact N-O 3.31Å |
| 148 | F | 98 | Very high | 92.5 | Very high | 36 Ų | 36 | 70.9 Ų | 70.9 | 16% | 0.158 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 126.9 | 173.9 | 178.9 | -74.4 | 0 | 0 | 0 | 108.7 | L106 F115 H117 A129 R130 A133 E150 | L106-F148 HydrophobicContact CD1-CD2 4.39Å; L106-F148 HydrophobicContact CD1-CE2 3.81Å; F115-F148 HydrophobicContact CB-CD2 3.98Å; H117-F148 HydrophobicContact CB-CE1 3.96Å; H117-F148 HydrophobicContact CB-CE2 3.98Å; H117-F148 HydrophobicContact CB-CZ 3.37Å; H117-F148 AromaticContact CG-CZ 3.75Å; H117-F148 AromaticContact ND1-CZ 3.99Å; A129-F148 HydrophobicContact CB-CE2 3.85Å; A129-F148 HydrophobicContact CB-CZ 3.84Å; R130-F148 HydrophobicContact CG-CD1 3.95Å; R130-F148 HydrophobicContact CG-CD2 3.88Å; R130-F148 HydrophobicContact CG-CE1 3.85Å; R130-F148 HydrophobicContact CG-CE2 3.77Å; R130-F148 HydrophobicContact CG-CG 3.95Å; R130-F148 HydrophobicContact CG-CZ 3.75Å; A133-F148 HydrophobicContact CB-CD2 3.98Å; A133-F148 HydrophobicContact CB-CE2 4.47Å; F148-E150 HydrophobicContact CE1-CG 4.11Å; F148-E150 VanDerWaalsContact CE1-OE1 3.29Å; F148-E150 WeakPolarHBondContact CE1-OE1 3.27Å |
| 149 | V | 97.5 | Very high | 92.6 | Very high | 53 Ų | 53 | 70.3 Ų | 70.3 | 32% | 0.321 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.4 | -175.7 | -175.2 | 0 | 0 | 0 | 0 | 109 | F115 H117 | F115-V149 PolarHBondContact O-N 2.86Å; H117-V149 PolarHBondContact N-O 2.88Å |
| 150 | E | 97.4 | Very high | 92.8 | Very high | 71 Ų | 71 | 70.9 Ų | 70.9 | 33% | 0.332 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 112.7 | 165 | -65.3 | -69.4 | 172.5 | 0 | 0 | 107.5 | H117 S126 R130 F148 | H117-E150 IonicContact CE1-OE2 3.88Å; H117-E150 IonicContact CG-OE2 3.25Å; H117-E150 IonicContact ND1-OE1 2.64Å; H117-E150 PolarHBondContact ND1-OE1 2.9Å; H117-E150 IonicContact ND1-OE2 3.25Å; H117-E150 PolarHBondContact ND1-OE2 3.28Å; S126-E150 WeakPolarHBondContact CB-OE1 3.29Å; S126-E150 PolarHBondContact OG-OE1 3.1Å; R130-E150 IonicContact NH2-OE1 3.65Å; F148-E150 HydrophobicContact CE1-CG 4.11Å; F148-E150 VanDerWaalsContact CE1-OE1 3.29Å; F148-E150 WeakPolarHBondContact CE1-OE1 3.27Å |
| 151 | E | 96.2 | Very high | 93 | Very high | 60 Ų | 60 | 70.9 Ų | 70.9 | 28% | 0.28 | 40% | 0.396 | S | S | . | . | trans | -86.8 | 149.5 | -176.6 | -75.3 | -68 | 155.7 | 0 | 0 | 111.5 | A116 H117 Y118 C153 | A116-E151 HydrophobicContact CB-CG 3.63Å; H117-E151 PolarHBondContact O-N 3.02Å; Y118-E151 HydrophobicContact CD1-CB 3.49Å; Y118-E151 VanDerWaalsContact CD1-CB 3.49Å; Y118-E151 HydrophobicContact CD1-CG 4.28Å; Y118-E151 HydrophobicContact CE1-CB 3.26Å; Y118-E151 HydrophobicContact CE1-CG 3.66Å; Y118-E151 HydrophobicContact CE2-CG 4.36Å; Y118-E151 HydrophobicContact CG-CB 4.24Å; E151-C153 PolarHBondContact O-N 3.32Å | ||
| 152 | P | 94 | Very high | 93.6 | Very high | 91 Ų | 91 | 68.1 Ų | 68.1 | 59% | 0.591 | 37% | 0.367 | S | S | * | . | trans | -55.5 | 114.8 | 166.9 | -23.9 | 35.1 | 0 | 0 | 0 | 110.7 | V187 | P152-V187 HydrophobicContact CB-CG2 4.47Š| ||
| 153 | C | 94.3 | Very high | 94.6 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 12% | 0.115 | 35% | 0.351 | C | S | . | . | trans | -117.8 | 139 | -179.5 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | D119 E151 L155 N169 | D119-C153 VanDerWaalsContact C-SG 3.57Å; D119-C153 WeakPolarHBondContact O-CB 3.45Å; E151-C153 PolarHBondContact O-N 3.32Å; C153-L155 PolarHBondContact O-N 2.96Å; C153-N169 PolarHBondContact SG-ND2 3.26Å | ||
| 154 | P | 95 | Very high | 95.7 | Very high | 7 Ų | 7 | 61.9 Ų | 61.9 | 5% | 0.045 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -48.9 | 127.2 | 163.2 | -28 | 35.2 | 0 | 0 | 0 | 111.5 | S120 Y165 L185 V187 I190 | S120-P154 WeakPolarHBondContact CA-O 3.42Å; P154-Y165 HydrophobicContact CB-CD1 4.04Å; P154-Y165 HydrophobicContact CB-CE1 3.6Å; P154-L185 VanDerWaalsContact CD-CD2 3.44Å; P154-L185 HydrophobicContact CG-CD2 4.26Å; P154-V187 HydrophobicContact CG-CB 4.46Å; P154-V187 HydrophobicContact CG-CG1 4.07Å; P154-I190 HydrophobicContact CB-CB 4.19Å; P154-I190 HydrophobicContact CB-CG2 4.1Å; P154-I190 WeakPolarHBondContact CB-O 3.34Å; P154-I190 HydrophobicContact CG-CB 3.72Å; P154-I190 HydrophobicContact CG-CD1 4.42Å; P154-I190 HydrophobicContact CG-CG2 4.03Å |
| 155 | L | 95.2 | Very high | 96.4 | Very high | 105 Ų | 105 | 52 Ų | 52 | 55% | 0.55 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -87 | 135.1 | -179.3 | -60.1 | -179.9 | 0 | 0 | 0 | 110.7 | S120 C153 Y165 | S120-L155 WeakPolarHBondContact O-CA 3.45Å; C153-L155 PolarHBondContact O-N 2.96Å; L155-Y165 PolarHBondContact O-OH 3.42Å |
| 156 | Q | 95.1 | Very high | 96.7 | Very high | 25 Ų | 25 | 43.2 Ų | 43.2 | 12% | 0.117 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -70 | 146.5 | 171.7 | 69.8 | -169.2 | 75.5 | 0 | 0 | 110.7 | S120 N158 Y165 | S120-Q156 PolarHBondContact O-N 2.83Å; S120-Q156 PolarHBondContact OG-OE1 2.83Å; Q156-N158 WeakPolarHBondContact CG-O 3.3Å; Q156-N158 PolarHBondContact NE2-O 2.96Å; Q156-Y165 HydrophobicContact CB-CD2 3.98Å; Q156-Y165 HydrophobicContact CB-CE2 3.47Å; Q156-Y165 VanDerWaalsContact CB-CE2 3.47Å |
| 157 | Q | 96.5 | Very high | 96.9 | Very high | 163 Ų | 163 | 42.7 Ų | 42.7 | 76% | 0.762 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -108.7 | 9.1 | 177.1 | -63.9 | -173.6 | 11.4 | 0 | 0 | 112.9 | P192 | Q157-P192 HydrophobicContact CB-CG 4.16Å; Q157-P192 HydrophobicContact CG-CG 3.76Å |
| 158 | N | 96.3 | Very high | 96.9 | Very high | 42 Ų | 42 | 39.1 Ų | 39.1 | 23% | 0.225 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -138.9 | -177.7 | 177.1 | 63.5 | 48.2 | 0 | 0 | 0 | 110.2 | Q156 Y160 D161 | Q156-N158 WeakPolarHBondContact CG-O 3.3Å; Q156-N158 PolarHBondContact NE2-O 2.96Å; N158-Y160 HydrophobicContact CB-CD1 3.97Å; N158-Y160 HydrophobicContact CB-CE1 3.59Å; N158-Y160 PolarHBondContact OD1-N 2.73Å; N158-D161 PolarHBondContact ND2-OD2 2.83Å; N158-D161 WeakPolarHBondContact OD1-CB 3.46Å; N158-D161 PolarHBondContact OD1-N 3.34Å |
| 159 | S | 95.5 | Very high | 97 | Very high | 87 Ų | 87 | 37.4 Ų | 37.4 | 61% | 0.608 | 20% | 0.201 | S | C | * | . | S | Bend | trans | -96.9 | 4.3 | -176.8 | 58.4 | 0 | 0 | 0 | 0 | 114.8 | W26 | W26-S159 PolarHBondContact NE1-O 2.96Š|
| 160 | Y | 97 | Very high | 97 | Very high | 57 Ų | 57 | 34.9 Ų | 34.9 | 22% | 0.224 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -131.7 | -8.4 | -165.4 | 58.1 | -98.6 | 0 | 0 | 0 | 116.4 | P24 N158 R199 | P24-Y160 HydrophobicContact CB-CD1 3.58Å; P24-Y160 HydrophobicContact CB-CD2 4.18Å; P24-Y160 HydrophobicContact CB-CE1 3.3Å; P24-Y160 HydrophobicContact CB-CE2 3.96Å; P24-Y160 HydrophobicContact CB-CG 4.01Å; N158-Y160 HydrophobicContact CB-CD1 3.97Å; N158-Y160 HydrophobicContact CB-CE1 3.59Å; N158-Y160 PolarHBondContact OD1-N 2.73Å; Y160-R199 PolarHBondContact O-NH2 2.96Å |
| 161 | D | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | trans | -91.5 | 0.6 | -174.5 | -81.6 | -23.5 | 0 | 0 | 0 | 115.7 | N158 G163 M164 Y165 I195 R199 | N158-D161 PolarHBondContact ND2-OD2 2.83Å; N158-D161 WeakPolarHBondContact OD1-CB 3.46Å; N158-D161 PolarHBondContact OD1-N 3.34Å; D161-G163 VanDerWaalsContact C-N 3.25Å; D161-G163 PolarHBondContact O-N 2.95Å; D161-G163 VanDerWaalsContact O-N 3.13Å; D161-M164 WeakPolarHBondContact O-CA 3.46Å; D161-M164 WeakPolarHBondContact O-CB 3.5Å; D161-M164 PolarHBondContact O-N 2.87Å; D161-Y165 HydrophobicContact CB-CD2 4.03Å; D161-Y165 HydrophobicContact CB-CE2 3.94Å; D161-Y165 WeakPolarHBondContact O-CD2 3.22Å; D161-Y165 PolarHBondContact O-N 2.99Å; D161-I195 HydrophobicContact CB-CG2 3.88Å; D161-R199 IonicContact OD1-CZ 2.79Å; D161-R199 IonicContact OD1-NE 2.94Å; D161-R199 PolarHBondContact OD1-NE 3.11Å; D161-R199 IonicContact OD1-NH2 3.25Å; D161-R199 PolarHBondContact OD1-NH2 3.08Å | ||
| 162 | C | 97.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.014 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -49.7 | -44 | -178.5 | 55.2 | 0 | 0 | 0 | 0 | 113.2 | H102 W103 M164 Y165 V166 | H102-C162 WeakPolarHBondContact CE1-CB 3.4Å; H102-C162 VanDerWaalsContact ND1-CB 3.27Å; H102-C162 WeakPolarHBondContact ND1-CB 3.43Å; W103-C162 HydrophobicContact CB-CB 4.28Å; C162-M164 PolarHBondContact O-N 2.86Å; C162-Y165 PolarHBondContact O-N 3.4Å; C162-V166 PolarHBondContact O-N 3.19Å; C162-V166 VanDerWaalsContact O-N 3.1Å |
| 163 | G | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.5 | -35.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D161 V166 I167 | D161-G163 VanDerWaalsContact C-N 3.25Å; D161-G163 PolarHBondContact O-N 2.95Å; D161-G163 VanDerWaalsContact O-N 3.13Å; G163-V166 WeakPolarHBondContact O-CB 3.46Å; G163-V166 PolarHBondContact O-N 2.73Å; G163-I167 WeakPolarHBondContact O-CG1 3.33Å; G163-I167 PolarHBondContact O-N 3.44Å |
| 164 | M | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -69.5 | -35.5 | 174.4 | -77.2 | -61.7 | -52.9 | 0 | 0 | 112.3 | L21 L27 D161 C162 V166 I167 C168 I195 K198 R199 | L21-M164 HydrophobicContact CD2-SD 4.07Å; L27-M164 HydrophobicContact CD1-CG 3.91Å; L27-M164 HydrophobicContact CD1-SD 3.69Å; L27-M164 HydrophobicContact CG-CG 4.44Å; D161-M164 WeakPolarHBondContact O-CA 3.46Å; D161-M164 WeakPolarHBondContact O-CB 3.5Å; D161-M164 PolarHBondContact O-N 2.87Å; C162-M164 PolarHBondContact O-N 2.86Å; M164-V166 VanDerWaalsContact C-N 3.32Å; M164-I167 PolarHBondContact O-N 2.66Å; M164-I167 HydrophobicContact SD-CD1 4.47Å; M164-C168 VanDerWaalsContact O-CB 3.28Å; M164-C168 WeakPolarHBondContact O-CB 3.37Å; M164-C168 PolarHBondContact O-N 3.12Å; M164-C168 PolarHBondContact O-SG 2.7Å; M164-I195 HydrophobicContact CB-CD1 4.37Å; M164-I195 HydrophobicContact CB-CG2 3.65Å; M164-I195 HydrophobicContact CG-CG2 4.3Å; M164-K198 HydrophobicContact CE-CB 3.56Å; M164-R199 HydrophobicContact CE-CG 3.9Å; M164-R199 HydrophobicContact CG-CG 3.59Å; M164-R199 HydrophobicContact SD-CG 3.6Å; M164-R199 VanDerWaalsContact SD-CG 3.6Å |
| 165 | Y | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.008 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64 | -37.5 | 173 | -81.4 | -87.2 | 0 | 0 | 0 | 111.3 | P154 L155 Q156 D161 C162 N169 I190 I195 | P154-Y165 HydrophobicContact CB-CD1 4.04Å; P154-Y165 HydrophobicContact CB-CE1 3.6Å; L155-Y165 PolarHBondContact O-OH 3.42Å; Q156-Y165 HydrophobicContact CB-CD2 3.98Å; Q156-Y165 HydrophobicContact CB-CE2 3.47Å; Q156-Y165 VanDerWaalsContact CB-CE2 3.47Å; D161-Y165 HydrophobicContact CB-CD2 4.03Å; D161-Y165 HydrophobicContact CB-CE2 3.94Å; D161-Y165 WeakPolarHBondContact O-CD2 3.22Å; D161-Y165 PolarHBondContact O-N 2.99Å; C162-Y165 PolarHBondContact O-N 3.4Å; Y165-N169 WeakPolarHBondContact O-CB 3.46Å; Y165-N169 PolarHBondContact O-N 2.91Å; Y165-N169 PolarHBondContact O-ND2 3.5Å; Y165-I190 HydrophobicContact CD1-CG2 4.02Å; Y165-I190 HydrophobicContact CE1-CG2 3.91Å; Y165-I195 HydrophobicContact CD1-CD1 3.92Å; Y165-I195 HydrophobicContact CD1-CG1 4.3Å; Y165-I195 HydrophobicContact CD2-CD1 4.09Å; Y165-I195 HydrophobicContact CD2-CG1 4.29Å; Y165-I195 HydrophobicContact CE1-CD1 4.04Å; Y165-I195 HydrophobicContact CE1-CG1 3.89Å; Y165-I195 HydrophobicContact CE2-CD1 4.19Å; Y165-I195 HydrophobicContact CE2-CG1 3.88Å; Y165-I195 HydrophobicContact CE2-CG2 4.37Å; Y165-I195 HydrophobicContact CG-CD1 3.96Å; Y165-I195 HydrophobicContact CG-CG1 4.49Å |
| 166 | V | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.3 | -52.5 | 172.4 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | I32 F36 A89 W103 S104 L105 C162 G163 M164 A170 | I32-V166 HydrophobicContact CG2-CG1 4.25Å; F36-V166 HydrophobicContact CE1-CG1 4.33Å; F36-V166 HydrophobicContact CZ-CG1 4.17Å; A89-V166 HydrophobicContact CB-CG1 4.21Å; W103-V166 HydrophobicContact CB-CG2 3.9Å; S104-V166 VanDerWaalsContact C-CG2 3.4Å; S104-V166 WeakPolarHBondContact O-CG2 3.41Å; L105-V166 HydrophobicContact CB-CG1 4.29Å; L105-V166 HydrophobicContact CB-CG2 4.46Å; L105-V166 HydrophobicContact CD1-CG1 4.14Å; C162-V166 PolarHBondContact O-N 3.19Å; C162-V166 VanDerWaalsContact O-N 3.1Å; G163-V166 WeakPolarHBondContact O-CB 3.46Å; G163-V166 PolarHBondContact O-N 2.73Å; M164-V166 VanDerWaalsContact C-N 3.32Å; V166-A170 WeakPolarHBondContact O-CB 3.49Å; V166-A170 PolarHBondContact O-N 3.07Å |
| 167 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.8 | -50.3 | -179.4 | -65.6 | 171.5 | 0 | 0 | 0 | 110.8 | L27 V31 I32 A35 F39 G163 M164 A170 E171 W202 | L27-I167 HydrophobicContact CD1-CD1 3.67Å; V31-I167 HydrophobicContact CG1-CD1 4.47Å; I32-I167 HydrophobicContact CG1-CD1 4.27Å; I32-I167 HydrophobicContact CG1-CG1 4.42Å; A35-I167 HydrophobicContact CB-CD1 3.87Å; A35-I167 HydrophobicContact CB-CG1 3.83Å; A35-I167 HydrophobicContact CB-CG2 3.94Å; F39-I167 HydrophobicContact CE2-CG2 4.39Å; F39-I167 HydrophobicContact CZ-CG2 3.86Å; G163-I167 WeakPolarHBondContact O-CG1 3.33Å; G163-I167 PolarHBondContact O-N 3.44Å; M164-I167 PolarHBondContact O-N 2.66Å; M164-I167 HydrophobicContact SD-CD1 4.47Å; I167-A170 PolarHBondContact O-N 3.28Å; I167-E171 WeakPolarHBondContact O-CB 3.19Å; I167-E171 PolarHBondContact O-N 3.16Å; I167-W202 HydrophobicContact CG2-CH2 4.45Å; I167-W202 HydrophobicContact CG2-CZ2 3.48Å; I167-W202 VanDerWaalsContact CG2-CZ2 3.48Å |
| 168 | C | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.4 | -36.2 | -175.8 | -69.4 | 0 | 0 | 0 | 0 | 113 | M164 A172 Y194 I195 | M164-C168 VanDerWaalsContact O-CB 3.28Å; M164-C168 WeakPolarHBondContact O-CB 3.37Å; M164-C168 PolarHBondContact O-N 3.12Å; M164-C168 PolarHBondContact O-SG 2.7Å; C168-A172 VanDerWaalsContact O-CB 3.32Å; C168-A172 WeakPolarHBondContact O-CB 3.45Å; C168-A172 PolarHBondContact O-N 3.07Å; C168-Y194 HydrophobicContact CB-CE1 3.96Å; C168-I195 HydrophobicContact CB-CD1 3.81Å |
| 169 | N | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.3 | -43.8 | 175.9 | -70.7 | -15.1 | 0 | 0 | 0 | 110.5 | L105 C153 Y165 A172 L173 L185 I190 | L105-N169 HydrophobicContact CD2-CB 3.87Å; C153-N169 PolarHBondContact SG-ND2 3.26Å; Y165-N169 WeakPolarHBondContact O-CB 3.46Å; Y165-N169 PolarHBondContact O-N 2.91Å; Y165-N169 PolarHBondContact O-ND2 3.5Å; N169-A172 PolarHBondContact O-N 3.08Å; N169-L173 WeakPolarHBondContact O-CB 3.29Å; N169-L173 WeakPolarHBondContact O-CD1 3.36Å; N169-L173 WeakPolarHBondContact O-CG 3.44Å; N169-L173 PolarHBondContact O-N 2.86Å; N169-L185 HydrophobicContact CB-CD1 3.78Å; N169-L185 HydrophobicContact CB-CD2 4.49Å; N169-I190 WeakPolarHBondContact OD1-CD1 3.42Å |
| 170 | A | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.2 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F36 F39 F87 L105 V166 I167 A172 L173 C174 | F36-A170 HydrophobicContact CE1-CB 4Å; F39-A170 HydrophobicContact CD2-CB 4.49Å; F39-A170 HydrophobicContact CE2-CB 4Å; F87-A170 HydrophobicContact CD1-CB 4.21Å; L105-A170 HydrophobicContact CD1-CB 4.3Å; L105-A170 HydrophobicContact CD2-CB 4.04Å; V166-A170 WeakPolarHBondContact O-CB 3.49Å; V166-A170 PolarHBondContact O-N 3.07Å; I167-A170 PolarHBondContact O-N 3.28Å; A170-A172 PolarHBondContact O-N 3.43Å; A170-L173 PolarHBondContact O-N 3.46Å; A170-C174 WeakPolarHBondContact O-CB 3.28Å; A170-C174 PolarHBondContact O-N 3.23Å; A170-C174 PolarHBondContact O-SG 3.11Å |
| 171 | E | 98.6 | Very high | 96.7 | Very high | 24 Ų | 24 | 27 Ų | 27 | 11% | 0.112 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -55.8 | -51.9 | 174.8 | -170.8 | -177.2 | -174.7 | 0 | 0 | 111.2 | F39 L43 F44 I167 L173 C174 E175 K198 | F39-E171 HydrophobicContact CE1-CB 4.15Å; F39-E171 HydrophobicContact CE1-CG 4.22Å; F39-E171 HydrophobicContact CE2-CB 4.41Å; F39-E171 HydrophobicContact CZ-CB 3.71Å; F39-E171 HydrophobicContact CZ-CG 4.28Å; L43-E171 HydrophobicContact CD2-CG 4.12Å; F44-E171 HydrophobicContact CE2-CG 4.26Å; F44-E171 HydrophobicContact CZ-CG 3.94Å; F44-E171 WeakPolarHBondContact CZ-O 3.49Å; I167-E171 WeakPolarHBondContact O-CB 3.19Å; I167-E171 PolarHBondContact O-N 3.16Å; E171-L173 PolarHBondContact O-N 3.05Å; E171-C174 PolarHBondContact O-N 3.03Å; E171-E175 WeakPolarHBondContact O-CG 3.43Å; E171-E175 PolarHBondContact O-N 3.49Å; E171-K198 VanDerWaalsContact CD-NZ 3.26Å; E171-K198 IonicContact OE1-NZ 2.73Å; E171-K198 PolarHBondContact OE1-NZ 3.36Å; E171-K198 WeakPolarHBondContact OE2-CE 3.47Å; E171-K198 IonicContact OE2-NZ 2.93Å; E171-K198 PolarHBondContact OE2-NZ 3.17Å |
| 172 | A | 98.2 | Very high | 96.3 | Very high | 10 Ų | 10 | 29.7 Ų | 29.7 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.5 | -36.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113 | C168 N169 A170 R176 L185 P186 I190 | C168-A172 VanDerWaalsContact O-CB 3.32Å; C168-A172 WeakPolarHBondContact O-CB 3.45Å; C168-A172 PolarHBondContact O-N 3.07Å; N169-A172 PolarHBondContact O-N 3.08Å; A170-A172 PolarHBondContact O-N 3.43Å; A172-R176 VanDerWaalsContact O-CG 3.29Å; A172-R176 WeakPolarHBondContact O-CG 3.4Å; A172-R176 PolarHBondContact O-N 3.22Å; A172-R176 VanDerWaalsContact O-N 3.11Å; A172-L185 HydrophobicContact CB-CD1 4.2Å; A172-P186 HydrophobicContact CB-CG 3.95Å; A172-I190 HydrophobicContact CB-CD1 3.91Å |
| 173 | L | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.7 | -42.1 | 174.5 | -75.7 | 163.3 | 0 | 0 | 0 | 111.2 | F87 L105 L107 Y118 N169 A170 E171 R176 A177 P183 L185 | F87-L173 HydrophobicContact CE1-CB 3.98Å; F87-L173 HydrophobicContact CE1-CD1 4.21Å; F87-L173 HydrophobicContact CZ-CB 4.36Å; L105-L173 HydrophobicContact CD2-CD1 3.83Å; L107-L173 HydrophobicContact CD2-CD1 4.05Å; L107-L173 HydrophobicContact CD2-CD2 4.43Å; Y118-L173 HydrophobicContact CD2-CD1 4.07Å; Y118-L173 HydrophobicContact CE2-CD1 3.63Å; Y118-L173 HydrophobicContact CE2-CD2 4.45Å; N169-L173 WeakPolarHBondContact O-CB 3.29Å; N169-L173 WeakPolarHBondContact O-CD1 3.36Å; N169-L173 WeakPolarHBondContact O-CG 3.44Å; N169-L173 PolarHBondContact O-N 2.86Å; A170-L173 PolarHBondContact O-N 3.46Å; E171-L173 PolarHBondContact O-N 3.05Å; L173-R176 PolarHBondContact O-N 3.05Å; L173-A177 WeakPolarHBondContact O-CB 3.34Å; L173-A177 PolarHBondContact O-N 3.01Å; L173-P183 HydrophobicContact CB-CB 4.2Å; L173-P183 HydrophobicContact CD2-CB 3.82Å; L173-L185 HydrophobicContact CD1-CD1 4.38Å; L173-L185 HydrophobicContact CD2-CB 4.14Å; L173-L185 HydrophobicContact CD2-CD1 4.46Å; L173-L185 HydrophobicContact CG-CD1 3.98Å |
| 174 | C | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68 | -40.4 | 177.1 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | F44 L47 F53 F87 A170 E171 R176 A177 R178 | F44-C174 HydrophobicContact CD1-CB 3.65Å; F44-C174 HydrophobicContact CD2-CB 3.58Å; F44-C174 HydrophobicContact CE1-CB 3.58Å; F44-C174 HydrophobicContact CE2-CB 3.51Å; F44-C174 HydrophobicContact CG-CB 3.65Å; F44-C174 HydrophobicContact CZ-CB 3.51Å; L47-C174 HydrophobicContact CD1-CB 4.05Å; F53-C174 WeakPolarHBondContact CZ-SG 3.41Å; F87-C174 WeakPolarHBondContact CZ-SG 3.25Å; A170-C174 WeakPolarHBondContact O-CB 3.28Å; A170-C174 PolarHBondContact O-N 3.23Å; A170-C174 PolarHBondContact O-SG 3.11Å; E171-C174 PolarHBondContact O-N 3.03Å; C174-R176 VanDerWaalsContact C-N 3.33Å; C174-R176 PolarHBondContact O-N 3.37Å; C174-A177 WeakPolarHBondContact O-CB 3.42Å; C174-A177 PolarHBondContact O-N 2.92Å; C174-R178 WeakPolarHBondContact O-CB 3.4Å; C174-R178 PolarHBondContact O-N 3.48Å |
| 175 | E | 96.9 | Very high | 95.4 | Very high | 53 Ų | 53 | 40 Ų | 40 | 25% | 0.248 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.1 | -44.4 | 174.7 | -79.4 | -62.7 | 167.9 | 0 | 0 | 112.1 | F44 E171 R178 V179 | F44-E175 HydrophobicContact CE1-CG 3.82Å; F44-E175 WeakPolarHBondContact CE1-OE1 3.4Å; F44-E175 HydrophobicContact CZ-CG 3.97Å; E171-E175 WeakPolarHBondContact O-CG 3.43Å; E171-E175 PolarHBondContact O-N 3.49Å; E175-R178 PolarHBondContact O-N 3.06Å; E175-R178 IonicContact OE1-CZ 3.74Å; E175-R178 IonicContact OE1-NH2 3.7Å; E175-R178 PolarHBondContact OE1-NH2 2.93Å; E175-R178 IonicContact OE2-CZ 2.73Å; E175-R178 VanDerWaalsContact OE2-CZ 3.25Å; E175-R178 IonicContact OE2-NE 4Å; E175-R178 PolarHBondContact OE2-NE 3.36Å; E175-R178 IonicContact OE2-NH2 3.93Å; E175-R178 PolarHBondContact OE2-NH2 3.06Å; E175-V179 WeakPolarHBondContact O-CG2 3.36Å; E175-V179 PolarHBondContact O-N 2.82Å |
| 176 | R | 95.3 | Very high | 95.1 | Very high | 94 Ų | 94 | 40.9 Ų | 40.9 | 36% | 0.355 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -67.3 | -39.2 | 176.4 | -69 | -78.2 | -174.8 | -171 | -2.6 | 111.8 | A172 L173 C174 R178 V179 E180 S182 R184 | A172-R176 VanDerWaalsContact O-CG 3.29Å; A172-R176 WeakPolarHBondContact O-CG 3.4Å; A172-R176 PolarHBondContact O-N 3.22Å; A172-R176 VanDerWaalsContact O-N 3.11Å; L173-R176 PolarHBondContact O-N 3.05Å; C174-R176 VanDerWaalsContact C-N 3.33Å; C174-R176 PolarHBondContact O-N 3.37Å; R176-R178 VanDerWaalsContact C-N 3.29Å; R176-R178 PolarHBondContact O-N 3.2Å; R176-V179 PolarHBondContact O-N 3.48Å; R176-E180 VanDerWaalsContact CD-OE1 3.31Å; R176-E180 WeakPolarHBondContact CD-OE1 3.47Å; R176-E180 IonicContact CZ-OE1 3.06Å; R176-E180 IonicContact NE-OE1 3.86Å; R176-E180 IonicContact NH1-OE1 3.56Å; R176-E180 PolarHBondContact NH1-OE1 3.02Å; R176-E180 WeakPolarHBondContact O-CA 3.49Å; R176-E180 WeakPolarHBondContact O-CB 3.47Å; R176-E180 PolarHBondContact O-N 2.95Å; R176-S182 CarbonylContact C-O 3.56Å; R176-S182 VanDerWaalsContact C-O 3.31Å; R176-R184 VanDerWaalsContact CG-O 3.31Å; R176-R184 WeakPolarHBondContact CG-O 3.38Å |
| 177 | A | 94.8 | Very high | 94.7 | Very high | 5 Ų | 5 | 43.7 Ų | 43.7 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.7 | -39.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W85 L173 C174 G181 S182 P183 | W85-A177 HydrophobicContact CE3-CB 4.25Å; W85-A177 HydrophobicContact CH2-CB 3.6Å; W85-A177 HydrophobicContact CZ2-CB 3.93Å; W85-A177 HydrophobicContact CZ3-CB 3.77Å; L173-A177 WeakPolarHBondContact O-CB 3.34Å; L173-A177 PolarHBondContact O-N 3.01Å; C174-A177 WeakPolarHBondContact O-CB 3.42Å; C174-A177 PolarHBondContact O-N 2.92Å; A177-G181 WeakPolarHBondContact O-CA 3.39Å; A177-G181 PolarHBondContact O-N 3.08Å; A177-S182 PolarHBondContact N-O 3.17Å; A177-P183 HydrophobicContact CB-CG 3.98Å |
| 178 | R | 93.3 | Very high | 94.2 | Very high | 136 Ų | 136 | 52.7 Ų | 52.7 | 51% | 0.513 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 177.6 | -176.6 | 175 | 70.6 | 165.9 | 2 | 112.8 | L47 C174 E175 R176 | L47-R178 HydrophobicContact CD2-CB 4.27Å; C174-R178 WeakPolarHBondContact O-CB 3.4Å; C174-R178 PolarHBondContact O-N 3.48Å; E175-R178 PolarHBondContact O-N 3.06Å; E175-R178 IonicContact OE1-CZ 3.74Å; E175-R178 IonicContact OE1-NH2 3.7Å; E175-R178 PolarHBondContact OE1-NH2 2.93Å; E175-R178 IonicContact OE2-CZ 2.73Å; E175-R178 VanDerWaalsContact OE2-CZ 3.25Å; E175-R178 IonicContact OE2-NE 4Å; E175-R178 PolarHBondContact OE2-NE 3.36Å; E175-R178 IonicContact OE2-NH2 3.93Å; E175-R178 PolarHBondContact OE2-NH2 3.06Å; R176-R178 VanDerWaalsContact C-N 3.29Å; R176-R178 PolarHBondContact O-N 3.2Å |
| 179 | V | 92.5 | Very high | 93.9 | Very high | 111 Ų | 111 | 56.5 Ų | 56.5 | 67% | 0.673 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -86.4 | -40.1 | -174.8 | 176.9 | 0 | 0 | 0 | 0 | 112.6 | E175 R176 | E175-V179 WeakPolarHBondContact O-CG2 3.36Å; E175-V179 PolarHBondContact O-N 2.82Å; R176-V179 PolarHBondContact O-N 3.48Å |
| 180 | E | 91.4 | Very high | 93.8 | Very high | 95 Ų | 95 | 56.7 Ų | 56.7 | 44% | 0.444 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -112.1 | -4.4 | -170 | -59.1 | 174.2 | -162.2 | 0 | 0 | 112.9 | R176 S182 | R176-E180 VanDerWaalsContact CD-OE1 3.31Å; R176-E180 WeakPolarHBondContact CD-OE1 3.47Å; R176-E180 IonicContact CZ-OE1 3.06Å; R176-E180 IonicContact NE-OE1 3.86Å; R176-E180 IonicContact NH1-OE1 3.56Å; R176-E180 PolarHBondContact NH1-OE1 3.02Å; R176-E180 WeakPolarHBondContact O-CA 3.49Å; R176-E180 WeakPolarHBondContact O-CB 3.47Å; R176-E180 PolarHBondContact O-N 2.95Å; E180-S182 PolarHBondContact O-N 2.98Å |
| 181 | G | 89.5 | Confident | 93.7 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 33% | 0.33 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 74.3 | 3.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R84 A177 | R84-G181 PolarHBondContact NH2-O 3.21Å; A177-G181 WeakPolarHBondContact O-CA 3.39Å; A177-G181 PolarHBondContact O-N 3.08Å |
| 182 | S | 89.3 | Confident | 93.7 | Very high | 56 Ų | 56 | 60 Ų | 60 | 39% | 0.392 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -143.2 | 135.3 | 178.7 | 65.4 | 0 | 0 | 0 | 0 | 111.9 | R176 A177 E180 R184 | R176-S182 CarbonylContact C-O 3.56Å; R176-S182 VanDerWaalsContact C-O 3.31Å; A177-S182 PolarHBondContact N-O 3.17Å; E180-S182 PolarHBondContact O-N 2.98Å; S182-R184 PolarHBondContact O-N 3.37Å |
| 183 | P | 91.2 | Very high | 93.6 | Very high | 19 Ų | 19 | 62.9 Ų | 62.9 | 12% | 0.123 | 33% | 0.332 | C | S | . | . | trans | -70.7 | 126.7 | 173.5 | -16.4 | 30.1 | 0 | 0 | 0 | 110.8 | W85 L107 L109 L173 A177 | W85-P183 HydrophobicContact CD2-CG 4.01Å; W85-P183 HydrophobicContact CG-CG 4.04Å; W85-P183 HydrophobicContact CZ2-CG 4.2Å; L107-P183 HydrophobicContact CD2-CB 4.14Å; L109-P183 HydrophobicContact CD2-CB 4.02Å; L109-P183 HydrophobicContact CD2-CG 3.6Å; L173-P183 HydrophobicContact CB-CB 4.2Å; L173-P183 HydrophobicContact CD2-CB 3.82Å; A177-P183 HydrophobicContact CB-CG 3.98Å | ||
| 184 | R | 91.9 | Very high | 93.6 | Very high | 184 Ų | 184 | 65.5 Ų | 65.5 | 69% | 0.694 | 34% | 0.342 | S | S | * | . | trans | -146.6 | 126.1 | 172.4 | -172.9 | 178.4 | -175.2 | -172.3 | 1.8 | 110.1 | R176 S182 P186 | R176-R184 VanDerWaalsContact CG-O 3.31Å; R176-R184 WeakPolarHBondContact CG-O 3.38Å; S182-R184 PolarHBondContact O-N 3.37Å; R184-P186 WeakPolarHBondContact O-CD 3.41Å | ||
| 185 | L | 93.3 | Very high | 93.6 | Very high | 16 Ų | 16 | 65.5 Ų | 65.5 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | trans | -75.7 | 124.6 | -175.6 | -164.8 | 69.7 | 0 | 0 | 0 | 111.6 | Y118 P154 N169 A172 L173 V187 I190 | Y118-L185 HydrophobicContact CD1-CB 4.42Å; Y118-L185 HydrophobicContact CD1-CD2 3.6Å; Y118-L185 HydrophobicContact CE1-CB 3.87Å; Y118-L185 HydrophobicContact CE1-CD2 3.93Å; Y118-L185 HydrophobicContact CE1-CG 4.48Å; Y118-L185 HydrophobicContact CG-CD2 4.45Å; P154-L185 VanDerWaalsContact CD-CD2 3.44Å; P154-L185 HydrophobicContact CG-CD2 4.26Å; N169-L185 HydrophobicContact CB-CD1 3.78Å; N169-L185 HydrophobicContact CB-CD2 4.49Å; A172-L185 HydrophobicContact CB-CD1 4.2Å; L173-L185 HydrophobicContact CD1-CD1 4.38Å; L173-L185 HydrophobicContact CD2-CB 4.14Å; L173-L185 HydrophobicContact CD2-CD1 4.46Å; L173-L185 HydrophobicContact CG-CD1 3.98Å; L185-V187 VanDerWaalsContact C-N 3.33Å; L185-V187 PolarHBondContact O-N 3.43Å; L185-I190 HydrophobicContact CD1-CD1 3.73Å; L185-I190 HydrophobicContact CG-CD1 4.29Å | ||
| 186 | P | 91.5 | Very high | 93.6 | Very high | 21 Ų | 21 | 66.5 Ų | 66.5 | 14% | 0.136 | 35% | 0.352 | C | S | . | . | trans | -82.2 | 78.4 | 175.6 | 34.2 | -33.7 | 0 | 0 | 0 | 110.4 | A172 R184 Q188 T189 | A172-P186 HydrophobicContact CB-CG 3.95Å; R184-P186 WeakPolarHBondContact O-CD 3.41Å; P186-Q188 PolarHBondContact O-N 2.85Å; P186-T189 PolarHBondContact O-N 3.13Å | ||
| 187 | V | 89.6 | Confident | 93.8 | Very high | 61 Ų | 61 | 67.2 Ų | 67.2 | 37% | 0.37 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -32.3 | -171.7 | -177.3 | 0 | 0 | 0 | 0 | 113.6 | P152 P154 L185 T189 | P152-V187 HydrophobicContact CB-CG2 4.47Å; P154-V187 HydrophobicContact CG-CB 4.46Å; P154-V187 HydrophobicContact CG-CG1 4.07Å; L185-V187 VanDerWaalsContact C-N 3.33Å; L185-V187 PolarHBondContact O-N 3.43Å; V187-T189 VanDerWaalsContact C-N 3.33Å; V187-T189 PolarHBondContact O-N 2.7Å |
| 188 | Q | 89.4 | Confident | 93.9 | Very high | 188 Ų | 188 | 68 Ų | 68 | 88% | 0.879 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -18.1 | -179.3 | -63.1 | 178.2 | 1.3 | 0 | 0 | 113.8 | P186 | P186-Q188 PolarHBondContact O-N 2.85Š|
| 189 | T | 92.1 | Very high | 94.2 | Very high | 80 Ų | 80 | 62 Ų | 62 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -36 | -177.6 | -54.1 | 0 | 0 | 0 | 0 | 111.8 | P186 V187 T191 | P186-T189 PolarHBondContact O-N 3.13Å; V187-T189 VanDerWaalsContact C-N 3.33Å; V187-T189 PolarHBondContact O-N 2.7Å; T189-T191 PolarHBondContact O-N 3.03Å; T189-T191 VanDerWaalsContact O-N 3.11Å |
| 190 | I | 96 | Very high | 94.4 | Very high | 5 Ų | 5 | 61.1 Ų | 61.1 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | trans | -84.9 | 91.3 | -176.3 | -55.7 | 176.6 | 0 | 0 | 0 | 108.8 | P154 Y165 N169 A172 L185 Y194 I195 | P154-I190 HydrophobicContact CB-CB 4.19Å; P154-I190 HydrophobicContact CB-CG2 4.1Å; P154-I190 WeakPolarHBondContact CB-O 3.34Å; P154-I190 HydrophobicContact CG-CB 3.72Å; P154-I190 HydrophobicContact CG-CD1 4.42Å; P154-I190 HydrophobicContact CG-CG2 4.03Å; Y165-I190 HydrophobicContact CD1-CG2 4.02Å; Y165-I190 HydrophobicContact CE1-CG2 3.91Å; N169-I190 WeakPolarHBondContact OD1-CD1 3.42Å; A172-I190 HydrophobicContact CB-CD1 3.91Å; L185-I190 HydrophobicContact CD1-CD1 3.73Å; L185-I190 HydrophobicContact CG-CD1 4.29Å; I190-Y194 HydrophobicContact CB-CD1 4.37Å; I190-Y194 HydrophobicContact CG1-CD1 4.49Å; I190-Y194 HydrophobicContact CG1-CE1 4.2Å; I190-Y194 HydrophobicContact CG2-CD1 4.08Å; I190-Y194 HydrophobicContact CG2-CE1 4.3Å; I190-I195 HydrophobicContact CG2-CD1 3.92Å; I190-I195 HydrophobicContact CG2-CG1 4.19Å | ||
| 191 | T | 97.4 | Very high | 94.7 | Very high | 58 Ų | 58 | 59.7 Ų | 59.7 | 36% | 0.356 | 32% | 0.324 | S | S | . | . | trans | -105.9 | 165.4 | 179.3 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | T189 A193 Y194 I195 | T189-T191 PolarHBondContact O-N 3.03Å; T189-T191 VanDerWaalsContact O-N 3.11Å; T191-A193 PolarHBondContact O-N 3.28Å; T191-Y194 WeakPolarHBondContact O-CB 3.28Å; T191-Y194 PolarHBondContact O-N 3.08Å; T191-Y194 VanDerWaalsContact O-N 3.09Å; T191-Y194 PolarHBondContact OG1-N 2.91Å; T191-I195 WeakPolarHBondContact O-CG1 3.45Å; T191-I195 PolarHBondContact O-N 2.73Å | ||
| 192 | P | 97.4 | Very high | 95.2 | Very high | 35 Ų | 35 | 58.6 Ų | 58.6 | 23% | 0.227 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.2 | -35.9 | 173.4 | -26.4 | 34.5 | 0 | 0 | 0 | 113.8 | Q157 I195 T196 | Q157-P192 HydrophobicContact CB-CG 4.16Å; Q157-P192 HydrophobicContact CG-CG 3.76Å; P192-I195 PolarHBondContact O-N 2.86Å; P192-T196 PolarHBondContact O-N 3.39Å; P192-T196 PolarHBondContact O-OG1 2.82Å |
| 193 | A | 97.4 | Very high | 95.5 | Very high | 72 Ų | 72 | 56.6 Ų | 56.6 | 60% | 0.595 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66.9 | -41.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | T191 I195 T196 Q197 | T191-A193 PolarHBondContact O-N 3.28Å; A193-I195 VanDerWaalsContact C-N 3.35Å; A193-T196 PolarHBondContact O-N 3.26Å; A193-Q197 PolarHBondContact O-N 2.97Å |
| 194 | Y | 97.8 | Very high | 95.8 | Very high | 54 Ų | 54 | 62.6 Ų | 62.6 | 21% | 0.212 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.8 | -44.5 | 172.9 | 172 | -89.3 | 0 | 0 | 0 | 111.6 | C168 I190 T191 T196 Q197 K198 | C168-Y194 HydrophobicContact CB-CE1 3.96Å; I190-Y194 HydrophobicContact CB-CD1 4.37Å; I190-Y194 HydrophobicContact CG1-CD1 4.49Å; I190-Y194 HydrophobicContact CG1-CE1 4.2Å; I190-Y194 HydrophobicContact CG2-CD1 4.08Å; I190-Y194 HydrophobicContact CG2-CE1 4.3Å; T191-Y194 WeakPolarHBondContact O-CB 3.28Å; T191-Y194 PolarHBondContact O-N 3.08Å; T191-Y194 VanDerWaalsContact O-N 3.09Å; T191-Y194 PolarHBondContact OG1-N 2.91Å; Y194-T196 PolarHBondContact O-N 3.3Å; Y194-Q197 PolarHBondContact O-N 3.43Å; Y194-K198 HydrophobicContact CD1-CG 4.15Å; Y194-K198 HydrophobicContact CE1-CG 3.73Å; Y194-K198 HydrophobicContact CE2-CG 4.31Å; Y194-K198 WeakPolarHBondContact O-CB 3.4Å; Y194-K198 WeakPolarHBondContact O-CG 3.27Å; Y194-K198 PolarHBondContact O-N 3.1Å; Y194-K198 WeakPolarHBondContact OH-CE 3.44Å |
| 195 | I | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 178.4 | -67.6 | -74.8 | 0 | 0 | 0 | 111.4 | D161 M164 Y165 C168 I190 T191 P192 A193 Q197 K198 R199 | D161-I195 HydrophobicContact CB-CG2 3.88Å; M164-I195 HydrophobicContact CB-CD1 4.37Å; M164-I195 HydrophobicContact CB-CG2 3.65Å; M164-I195 HydrophobicContact CG-CG2 4.3Å; Y165-I195 HydrophobicContact CD1-CD1 3.92Å; Y165-I195 HydrophobicContact CD1-CG1 4.3Å; Y165-I195 HydrophobicContact CD2-CD1 4.09Å; Y165-I195 HydrophobicContact CD2-CG1 4.29Å; Y165-I195 HydrophobicContact CE1-CD1 4.04Å; Y165-I195 HydrophobicContact CE1-CG1 3.89Å; Y165-I195 HydrophobicContact CE2-CD1 4.19Å; Y165-I195 HydrophobicContact CE2-CG1 3.88Å; Y165-I195 HydrophobicContact CE2-CG2 4.37Å; Y165-I195 HydrophobicContact CG-CD1 3.96Å; Y165-I195 HydrophobicContact CG-CG1 4.49Å; C168-I195 HydrophobicContact CB-CD1 3.81Å; I190-I195 HydrophobicContact CG2-CD1 3.92Å; I190-I195 HydrophobicContact CG2-CG1 4.19Å; T191-I195 WeakPolarHBondContact O-CG1 3.45Å; T191-I195 PolarHBondContact O-N 2.73Å; P192-I195 PolarHBondContact O-N 2.86Å; A193-I195 VanDerWaalsContact C-N 3.35Å; I195-Q197 VanDerWaalsContact C-N 3.34Å; I195-Q197 PolarHBondContact O-N 3.41Å; I195-K198 PolarHBondContact O-N 3.48Å; I195-R199 PolarHBondContact O-N 3.05Å; I195-R199 VanDerWaalsContact O-N 3.08Å |
| 196 | T | 97.4 | Very high | 96.3 | Very high | 75 Ų | 75 | 53.7 Ų | 53.7 | 46% | 0.46 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60 | -44 | 174.8 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | P192 A193 Y194 R199 | P192-T196 PolarHBondContact O-N 3.39Å; P192-T196 PolarHBondContact O-OG1 2.82Å; A193-T196 PolarHBondContact O-N 3.26Å; Y194-T196 PolarHBondContact O-N 3.3Å; T196-R199 PolarHBondContact O-N 3.2Å |
| 197 | Q | 97.9 | Very high | 96.4 | Very high | 108 Ų | 108 | 57 Ų | 57 | 51% | 0.505 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 176.1 | -179.2 | -179.5 | -23.2 | 0 | 0 | 111.5 | A193 Y194 I195 R199 L200 E201 | A193-Q197 PolarHBondContact O-N 2.97Å; Y194-Q197 PolarHBondContact O-N 3.43Å; I195-Q197 VanDerWaalsContact C-N 3.34Å; I195-Q197 PolarHBondContact O-N 3.41Å; Q197-R199 VanDerWaalsContact C-N 3.31Å; Q197-R199 PolarHBondContact O-N 3.15Å; Q197-L200 WeakPolarHBondContact O-CB 3.48Å; Q197-L200 PolarHBondContact O-N 3.36Å; Q197-E201 HydrophobicContact CG-CG 4.49Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.26Å; Q197-E201 PolarHBondContact NE2-OE1 3.37Å; Q197-E201 PolarHBondContact O-N 3.35Å |
| 198 | K | 98.1 | Very high | 96.7 | Very high | 22 Ų | 22 | 61.3 Ų | 61.3 | 10% | 0.096 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -36.5 | 179.3 | -81.4 | -77.6 | 176.4 | -178.1 | 0 | 112.7 | M164 E171 Y194 I195 L200 E201 W202 | M164-K198 HydrophobicContact CE-CB 3.56Å; E171-K198 VanDerWaalsContact CD-NZ 3.26Å; E171-K198 IonicContact OE1-NZ 2.73Å; E171-K198 PolarHBondContact OE1-NZ 3.36Å; E171-K198 WeakPolarHBondContact OE2-CE 3.47Å; E171-K198 IonicContact OE2-NZ 2.93Å; E171-K198 PolarHBondContact OE2-NZ 3.17Å; Y194-K198 HydrophobicContact CD1-CG 4.15Å; Y194-K198 HydrophobicContact CE1-CG 3.73Å; Y194-K198 HydrophobicContact CE2-CG 4.31Å; Y194-K198 WeakPolarHBondContact O-CB 3.4Å; Y194-K198 WeakPolarHBondContact O-CG 3.27Å; Y194-K198 PolarHBondContact O-N 3.1Å; Y194-K198 WeakPolarHBondContact OH-CE 3.44Å; I195-K198 PolarHBondContact O-N 3.48Å; K198-L200 VanDerWaalsContact C-N 3.28Å; K198-L200 PolarHBondContact O-N 2.69Å; K198-E201 WeakPolarHBondContact CD-OE2 3.25Å; K198-E201 VanDerWaalsContact CE-OE2 3.31Å; K198-E201 WeakPolarHBondContact CE-OE2 3.07Å; K198-E201 IonicContact NZ-OE2 3.64Å; K198-E201 PolarHBondContact NZ-OE2 2.96Å; K198-E201 PolarHBondContact O-N 3.01Å; K198-E201 VanDerWaalsContact O-N 3.16Å; K198-W202 PolarHBondContact O-N 2.9Å |
| 199 | R | 98.2 | Very high | 97 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 4% | 0.042 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.7 | -45.1 | 172.1 | -76.4 | -179.8 | 169.6 | -85.7 | 0.7 | 112.3 | L20 H25 Y160 D161 M164 I195 T196 Q197 W202 C203 | L20-R199 PolarHBondContact O-NH1 2.51Å; H25-R199 PolarHBondContact O-NH1 3.46Å; H25-R199 PolarHBondContact O-NH2 3.45Å; Y160-R199 PolarHBondContact O-NH2 2.96Å; D161-R199 IonicContact OD1-CZ 2.79Å; D161-R199 IonicContact OD1-NE 2.94Å; D161-R199 PolarHBondContact OD1-NE 3.11Å; D161-R199 IonicContact OD1-NH2 3.25Å; D161-R199 PolarHBondContact OD1-NH2 3.08Å; M164-R199 HydrophobicContact CE-CG 3.9Å; M164-R199 HydrophobicContact CG-CG 3.59Å; M164-R199 HydrophobicContact SD-CG 3.6Å; M164-R199 VanDerWaalsContact SD-CG 3.6Å; I195-R199 PolarHBondContact O-N 3.05Å; I195-R199 VanDerWaalsContact O-N 3.08Å; T196-R199 PolarHBondContact O-N 3.2Å; Q197-R199 VanDerWaalsContact C-N 3.31Å; Q197-R199 PolarHBondContact O-N 3.15Å; R199-W202 PolarHBondContact O-N 2.96Å; R199-C203 WeakPolarHBondContact O-CB 3.44Å; R199-C203 PolarHBondContact O-N 3.09Å |
| 200 | L | 97.8 | Very high | 96.7 | Very high | 92 Ų | 92 | 54.2 Ų | 54.2 | 48% | 0.482 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -67.4 | -39.1 | 178.2 | -58.7 | 174.7 | 0 | 0 | 0 | 111.8 | Q197 K198 R204 | Q197-L200 WeakPolarHBondContact O-CB 3.48Å; Q197-L200 PolarHBondContact O-N 3.36Å; K198-L200 VanDerWaalsContact C-N 3.28Å; K198-L200 PolarHBondContact O-N 2.69Å; L200-R204 VanDerWaalsContact O-CG 3.29Å; L200-R204 WeakPolarHBondContact O-CG 3.36Å; L200-R204 PolarHBondContact O-N 3.15Å |
| 201 | E | 98.2 | Very high | 95.9 | Very high | 64 Ų | 64 | 63.9 Ų | 63.9 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 176.5 | -69.4 | 176.1 | -170.9 | 0 | 0 | 111.9 | Q197 K198 R204 L205 | Q197-E201 HydrophobicContact CG-CG 4.49Å; Q197-E201 WeakPolarHBondContact CG-OE1 3.26Å; Q197-E201 PolarHBondContact NE2-OE1 3.37Å; Q197-E201 PolarHBondContact O-N 3.35Å; K198-E201 WeakPolarHBondContact CD-OE2 3.25Å; K198-E201 VanDerWaalsContact CE-OE2 3.31Å; K198-E201 WeakPolarHBondContact CE-OE2 3.07Å; K198-E201 IonicContact NZ-OE2 3.64Å; K198-E201 PolarHBondContact NZ-OE2 2.96Å; K198-E201 PolarHBondContact O-N 3.01Å; K198-E201 VanDerWaalsContact O-N 3.16Å; E201-R204 PolarHBondContact O-N 3.24Å; E201-L205 WeakPolarHBondContact O-CB 3.09Å; E201-L205 PolarHBondContact O-N 2.77Å |
| 202 | W | 98.3 | Very high | 94.1 | Very high | 10 Ų | 10 | 70 Ų | 70 | 4% | 0.038 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 176.8 | -83.1 | 100.2 | 0 | 0 | 0 | 112.4 | L21 F34 A35 Y38 F39 I167 K198 R199 R204 L205 I206 | L21-W202 HydrophobicContact CD1-CB 4.21Å; L21-W202 HydrophobicContact CD2-CB 4.09Å; F34-W202 HydrophobicContact CD1-CE3 4.28Å; F34-W202 HydrophobicContact CD1-CZ3 4.03Å; F34-W202 AromaticContact CE1-CE3 3.76Å; F34-W202 HydrophobicContact CE1-CE3 3.76Å; F34-W202 AromaticContact CE1-CZ3 3.57Å; F34-W202 HydrophobicContact CE1-CZ3 3.57Å; F34-W202 HydrophobicContact CZ-CZ3 4.36Å; A35-W202 HydrophobicContact CB-CE3 4.49Å; A35-W202 HydrophobicContact CB-CH2 3.44Å; A35-W202 VanDerWaalsContact CB-CH2 3.44Å; A35-W202 HydrophobicContact CB-CZ2 3.88Å; A35-W202 HydrophobicContact CB-CZ3 3.79Å; Y38-W202 AromaticContact CD1-CH2 3.93Å; Y38-W202 HydrophobicContact CD1-CH2 3.93Å; Y38-W202 HydrophobicContact CD1-CZ3 4.17Å; Y38-W202 HydrophobicContact CG-CZ3 4.5Å; F39-W202 HydrophobicContact CD1-CH2 4.3Å; F39-W202 AromaticContact CE1-CH2 3.67Å; F39-W202 HydrophobicContact CE1-CH2 3.67Å; F39-W202 AromaticContact CE1-CZ2 3.48Å; F39-W202 HydrophobicContact CE1-CZ2 3.48Å; F39-W202 VanDerWaalsContact CE1-CZ2 3.48Å; F39-W202 HydrophobicContact CZ-CH2 4.09Å; F39-W202 AromaticContact CZ-CZ2 3.65Å; F39-W202 HydrophobicContact CZ-CZ2 3.65Å; I167-W202 HydrophobicContact CG2-CH2 4.45Å; I167-W202 HydrophobicContact CG2-CZ2 3.48Å; I167-W202 VanDerWaalsContact CG2-CZ2 3.48Å; K198-W202 PolarHBondContact O-N 2.9Å; R199-W202 PolarHBondContact O-N 2.96Å; W202-R204 PolarHBondContact O-N 3.23Å; W202-L205 HydrophobicContact CE3-CD2 3.82Å; W202-L205 HydrophobicContact CH2-CD2 4.42Å; W202-L205 HydrophobicContact CZ3-CD2 3.73Å; W202-L205 WeakPolarHBondContact O-CB 3.13Å; W202-L205 PolarHBondContact O-N 3.22Å; W202-I206 WeakPolarHBondContact O-CG1 3.45Å; W202-I206 PolarHBondContact O-N 2.97Å |
| 203 | C | 96.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 71.8 Ų | 71.8 | 10% | 0.095 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 174.7 | -176.4 | 0 | 0 | 0 | 0 | 111.6 | L21 R199 L205 I206 Q207 | L21-C203 HydrophobicContact CB-CB 4.29Å; L21-C203 HydrophobicContact CD1-CB 4.32Å; R199-C203 WeakPolarHBondContact O-CB 3.44Å; R199-C203 PolarHBondContact O-N 3.09Å; C203-L205 VanDerWaalsContact C-N 3.34Å; C203-L205 PolarHBondContact O-N 3.21Å; C203-I206 PolarHBondContact O-N 2.72Å; C203-Q207 WeakPolarHBondContact O-CG 3.15Å; C203-Q207 PolarHBondContact O-N 2.71Å; C203-Q207 VanDerWaalsContact O-N 3.11Å |
| 204 | R | 97.3 | Very high | 93.7 | Very high | 144 Ų | 144 | 71.7 Ų | 71.7 | 54% | 0.543 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.6 | -35.1 | 175.3 | -70.2 | 172.5 | -167.7 | 147.8 | 3.2 | 112.8 | L200 E201 W202 R208 | L200-R204 VanDerWaalsContact O-CG 3.29Å; L200-R204 WeakPolarHBondContact O-CG 3.36Å; L200-R204 PolarHBondContact O-N 3.15Å; E201-R204 PolarHBondContact O-N 3.24Å; W202-R204 PolarHBondContact O-N 3.23Å; R204-R208 WeakPolarHBondContact O-CG 3.4Å; R204-R208 PolarHBondContact O-N 3.3Å; R204-R208 VanDerWaalsContact O-N 3.1Å |
| 205 | L | 97.9 | Very high | 93.5 | Very high | 14 Ų | 14 | 72.7 Ų | 72.7 | 7% | 0.073 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -51.1 | 175.6 | 173.4 | 63.8 | 0 | 0 | 0 | 110.6 | Y38 E201 W202 C203 Q207 R208 L209 | Y38-L205 HydrophobicContact CD1-CD2 3.84Å; Y38-L205 HydrophobicContact CD2-CD2 4.33Å; Y38-L205 HydrophobicContact CE1-CD1 4.47Å; Y38-L205 HydrophobicContact CE1-CD2 3.54Å; Y38-L205 HydrophobicContact CE2-CD1 3.99Å; Y38-L205 HydrophobicContact CE2-CD2 4.05Å; Y38-L205 HydrophobicContact CE2-CG 4.48Å; Y38-L205 HydrophobicContact CG-CD2 4.23Å; E201-L205 WeakPolarHBondContact O-CB 3.09Å; E201-L205 PolarHBondContact O-N 2.77Å; W202-L205 HydrophobicContact CE3-CD2 3.82Å; W202-L205 HydrophobicContact CH2-CD2 4.42Å; W202-L205 HydrophobicContact CZ3-CD2 3.73Å; W202-L205 WeakPolarHBondContact O-CB 3.13Å; W202-L205 PolarHBondContact O-N 3.22Å; C203-L205 VanDerWaalsContact C-N 3.34Å; C203-L205 PolarHBondContact O-N 3.21Å; L205-Q207 VanDerWaalsContact C-N 3.29Å; L205-Q207 PolarHBondContact O-N 3.2Å; L205-R208 WeakPolarHBondContact O-CB 3.35Å; L205-R208 PolarHBondContact O-N 3.02Å; L205-L209 HydrophobicContact CD1-CD1 3.99Å; L205-L209 HydrophobicContact CD1-CG 4.07Å; L205-L209 HydrophobicContact CG-CD1 4.03Å; L205-L209 HydrophobicContact CG-CG 4.48Å; L205-L209 PolarHBondContact O-N 2.76Å |
| 206 | I | 97.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -57.3 | -44.7 | 179 | -67.9 | 161.8 | 0 | 0 | 0 | 110.7 | V5 L6 L13 V18 L21 F34 W202 C203 R208 L209 D210 | V5-I206 HydrophobicContact CG1-CG2 4.06Å; L6-I206 HydrophobicContact CB-CG2 4.25Å; L6-I206 HydrophobicContact CD2-CG1 4.5Å; L6-I206 HydrophobicContact CD2-CG2 4.2Å; L13-I206 HydrophobicContact CD1-CD1 3.68Å; L13-I206 HydrophobicContact CD1-CG1 3.97Å; L13-I206 HydrophobicContact CD1-CG2 4.26Å; V18-I206 HydrophobicContact CG1-CG2 4.4Å; V18-I206 HydrophobicContact CG2-CD1 4.43Å; V18-I206 HydrophobicContact CG2-CG2 3.87Å; L21-I206 HydrophobicContact CD1-CD1 3.52Å; F34-I206 HydrophobicContact CD1-CD1 4.29Å; F34-I206 HydrophobicContact CD1-CG1 4.21Å; F34-I206 HydrophobicContact CE1-CD1 4.01Å; F34-I206 HydrophobicContact CE1-CG1 3.5Å; F34-I206 VanDerWaalsContact CE1-CG1 3.5Å; F34-I206 HydrophobicContact CZ-CG1 3.97Å; W202-I206 WeakPolarHBondContact O-CG1 3.45Å; W202-I206 PolarHBondContact O-N 2.97Å; C203-I206 PolarHBondContact O-N 2.72Å; I206-R208 PolarHBondContact O-N 3.02Å; I206-L209 PolarHBondContact O-N 3.03Å; I206-D210 PolarHBondContact O-N 3.17Å |
| 207 | Q | 94.4 | Very high | 92.9 | Very high | 91 Ų | 91 | 77.1 Ų | 77.1 | 43% | 0.425 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.2 | -24.2 | 177.5 | -70.7 | 174.2 | 1 | 0 | 0 | 114.5 | C203 L205 R211 | C203-Q207 WeakPolarHBondContact O-CG 3.15Å; C203-Q207 PolarHBondContact O-N 2.71Å; C203-Q207 VanDerWaalsContact O-N 3.11Å; L205-Q207 VanDerWaalsContact C-N 3.29Å; L205-Q207 PolarHBondContact O-N 3.2Å; Q207-R211 WeakPolarHBondContact O-CG 3.42Å; Q207-R211 PolarHBondContact O-NE 2.59Å |
| 208 | R | 96 | Very high | 92.6 | Very high | 150 Ų | 150 | 75.1 Ų | 75.1 | 57% | 0.566 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -79 | -47.1 | 174.1 | -74.7 | -178.7 | -58 | 166.2 | 7.7 | 110.5 | R204 L205 I206 D210 R211 | R204-R208 WeakPolarHBondContact O-CG 3.4Å; R204-R208 PolarHBondContact O-N 3.3Å; R204-R208 VanDerWaalsContact O-N 3.1Å; L205-R208 WeakPolarHBondContact O-CB 3.35Å; L205-R208 PolarHBondContact O-N 3.02Å; I206-R208 PolarHBondContact O-N 3.02Å; R208-D210 VanDerWaalsContact C-N 3.26Å; R208-D210 PolarHBondContact O-N 2.79Å; R208-R211 WeakPolarHBondContact O-CB 3.4Å; R208-R211 PolarHBondContact O-N 3Å |
| 209 | L | 94.7 | Very high | 92.2 | Very high | 25 Ų | 25 | 78.9 Ų | 78.9 | 13% | 0.131 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.4 | -27.5 | -179.8 | -65.6 | 174.4 | 0 | 0 | 0 | 113.3 | L6 Y8 F34 Y38 L205 I206 R211 | L6-L209 HydrophobicContact CD1-CB 3.87Å; L6-L209 HydrophobicContact CD2-CB 4.3Å; L6-L209 HydrophobicContact CD2-CD1 4.36Å; Y8-L209 HydrophobicContact CD2-CD1 4.3Å; Y8-L209 HydrophobicContact CE2-CD1 4.32Å; F34-L209 HydrophobicContact CE2-CD1 4.15Å; F34-L209 HydrophobicContact CZ-CD1 3.81Å; Y38-L209 HydrophobicContact CD2-CD1 4.05Å; Y38-L209 HydrophobicContact CE2-CD1 4.02Å; L205-L209 HydrophobicContact CD1-CD1 3.99Å; L205-L209 HydrophobicContact CD1-CG 4.07Å; L205-L209 HydrophobicContact CG-CD1 4.03Å; L205-L209 HydrophobicContact CG-CG 4.48Å; L205-L209 PolarHBondContact O-N 2.76Å; I206-L209 PolarHBondContact O-N 3.03Å; L209-R211 PolarHBondContact O-N 3.41Å |
| 210 | D | 86.4 | Confident | 91.8 | Very high | 95 Ų | 95 | 84.1 Ų | 84.1 | 51% | 0.508 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -19.9 | 171.9 | 177 | 49.9 | 0 | 0 | 0 | 113.2 | V5 I206 R208 | V5-D210 WeakPolarHBondContact O-CB 3.42Å; I206-D210 PolarHBondContact O-N 3.17Å; R208-D210 VanDerWaalsContact C-N 3.26Å; R208-D210 PolarHBondContact O-N 2.79Å |
| 211 | R | 78.5 | Confident | 91.3 | Very high | 207 Ų | 207 | 83.4 Ų | 83.4 | 78% | 0.781 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | -12.4 | -177.2 | -63.3 | 176.9 | -176.5 | -132.4 | -0.1 | 113.8 | Q207 R208 L209 | Q207-R211 WeakPolarHBondContact O-CG 3.42Å; Q207-R211 PolarHBondContact O-NE 2.59Å; R208-R211 WeakPolarHBondContact O-CB 3.4Å; R208-R211 PolarHBondContact O-N 3Å; L209-R211 PolarHBondContact O-N 3.41Å |
| 212 | D | 59 | Low | 90.6 | Very high | 187 Ų | 187 | 85.2 Ų | 85.2 | 100% | 1 | 38% | 0.378 | S | S | * | . | trans | -95.2 | 0 | -177.5 | -67.6 | -29.6 | 0 | 0 | 0 | 110.8 |
Retrieved 212 of 212 residues in 845.3 ms
(Link to these results)