| 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 | 59.1 | Low | 87.9 | Confident | 123 Ų | 123 | 48.5 Ų | 48.5 | 61% | 0.606 | 29% | 0.29 | S | S | * | . | 0 | 147.7 | 0 | -76.8 | 170.1 | -86 | 0 | 0 | 107.4 | Y108 E113 | M1-Y108 WeakPolarHBondContact CE-OH 3.49Å; M1-E113 VanDerWaalsContact CE-O 3.23Å; M1-E113 WeakPolarHBondContact CE-O 3.32Å | |||
| 2 | T | 70 | Confident | 88.8 | Confident | 147 Ų | 147 | 44.9 Ų | 44.9 | 90% | 0.902 | 27% | 0.269 | S | S | * | . | trans | -97.7 | 110.9 | 170.1 | 48.1 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 3 | H | 76.7 | Confident | 89.5 | Confident | 59 Ų | 59 | 43.3 Ų | 43.3 | 27% | 0.273 | 26% | 0.261 | S | S | . | . | trans | -81.9 | 143 | 178.8 | -67.4 | -65.5 | 0 | 0 | 0 | 110 | G5 P7 E41 | H3-G5 VanDerWaalsContact C-N 3.31Å; H3-G5 WeakPolarHBondContact CB-O 3.25Å; H3-P7 HydrophobicContact CB-CG 4.13Å; H3-E41 VanDerWaalsContact C-OE2 3.29Å; H3-E41 WeakPolarHBondContact CA-OE2 3.38Å; H3-E41 WeakPolarHBondContact CB-OE2 3.47Å; H3-E41 IonicContact CE1-OE1 3.99Å; H3-E41 IonicContact CG-OE2 2.59Å; H3-E41 IonicContact ND1-OE1 3.27Å; H3-E41 PolarHBondContact ND1-OE1 3.05Å; H3-E41 VanDerWaalsContact ND1-OE1 3.07Å; H3-E41 IonicContact ND1-OE2 2.64Å; H3-E41 PolarHBondContact ND1-OE2 3.22Å | ||
| 4 | S | 83.7 | Confident | 90 | Very high | 120 Ų | 120 | 41.4 Ų | 41.4 | 84% | 0.839 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -81.4 | -14.4 | 176.2 | 55.1 | 0 | 0 | 0 | 0 | 112.8 | E41 | S4-E41 PolarHBondContact N-OE2 3.06Å; S4-E41 PolarHBondContact OG-OE2 3.2Å |
| 5 | G | 93.1 | Very high | 90.5 | Very high | 24 Ų | 24 | 39.2 Ų | 39.2 | 25% | 0.247 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -150.3 | -171.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | H3 P7 D39 | H3-G5 VanDerWaalsContact C-N 3.31Å; H3-G5 WeakPolarHBondContact CB-O 3.25Å; G5-P7 VanDerWaalsContact O-CD 3.28Å; G5-P7 WeakPolarHBondContact O-CD 3.43Å; G5-D39 CarbonylContact C-O 3.49Å; G5-D39 WeakPolarHBondContact CA-O 3.4Å |
| 6 | I | 95.1 | Very high | 91 | Very high | 48 Ų | 48 | 36.9 Ų | 36.9 | 25% | 0.246 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 116.9 | 174.2 | -58.9 | 172 | 0 | 0 | 0 | 108 | C8 D39 F40 E41 | I6-C8 PolarHBondContact O-N 3.12Å; I6-D39 PolarHBondContact N-O 3.32Å; I6-F40 HydrophobicContact CB-CD1 3.74Å; I6-F40 HydrophobicContact CB-CE1 4.03Å; I6-F40 HydrophobicContact CD1-CE1 4.29Å; I6-F40 HydrophobicContact CG2-CD1 3.86Å; I6-F40 HydrophobicContact CG2-CE1 3.82Å; I6-F40 CarbonylContact O-C 3.6Å; I6-F40 WeakPolarHBondContact O-CA 3.15Å; I6-E41 PolarHBondContact O-N 3.37Å |
| 7 | P | 96.3 | Very high | 91.4 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 8% | 0.078 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 125.7 | 179.2 | -25.9 | 35.6 | 0 | 0 | 0 | 111.8 | H3 G5 E41 I43 L109 E138 S139 R140 | H3-P7 HydrophobicContact CB-CG 4.13Å; G5-P7 VanDerWaalsContact O-CD 3.28Å; G5-P7 WeakPolarHBondContact O-CD 3.43Å; P7-E41 CarbonylContact C-O 3.6Å; P7-E41 WeakPolarHBondContact CA-O 3.4Å; P7-I43 HydrophobicContact CB-CD1 3.91Å; P7-I43 HydrophobicContact CB-CG1 4.27Å; P7-L109 HydrophobicContact CB-CD1 4.14Å; P7-L109 HydrophobicContact CB-CD2 4.02Å; P7-L109 HydrophobicContact CG-CD1 4.37Å; P7-L109 HydrophobicContact CG-CD2 4.1Å; P7-E138 WeakPolarHBondContact CD-O 3.44Å; P7-S139 CarbonylContact O-C 3.56Å; P7-S139 VanDerWaalsContact O-CA 3.32Å; P7-S139 WeakPolarHBondContact O-CA 3.39Å; P7-R140 PolarHBondContact O-N 3.47Å |
| 8 | C | 97.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 138.2 | -177.1 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | I6 F40 E41 V42 I43 R140 | I6-C8 PolarHBondContact O-N 3.12Å; C8-F40 HydrophobicContact CB-CB 3.96Å; C8-F40 HydrophobicContact CB-CD1 4.03Å; C8-F40 HydrophobicContact CB-CG 4.25Å; C8-E41 PolarHBondContact N-O 3.22Å; C8-V42 HydrophobicContact CB-CG2 4.26Å; C8-V42 CarbonylContact O-C 3.52Å; C8-V42 WeakPolarHBondContact O-CA 3.45Å; C8-I43 WeakPolarHBondContact O-CG1 3.28Å; C8-I43 PolarHBondContact O-N 3.08Å; C8-R140 CarbonylContact C-O 3.42Å; C8-R140 VanDerWaalsContact CA-O 3.23Å; C8-R140 WeakPolarHBondContact CA-O 3.3Å |
| 9 | V | 98.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 131.3 | 169.5 | 173 | 0 | 0 | 0 | 0 | 110 | I43 G44 V46 L101 L105 F117 R140 V141 M142 | V9-I43 HydrophobicContact CG2-CD1 4.43Å; V9-I43 HydrophobicContact CG2-CG1 4.04Å; V9-G44 WeakPolarHBondContact CA-O 3.38Å; V9-V46 HydrophobicContact CG1-CG2 3.85Å; V9-L101 HydrophobicContact CG1-CD1 4.47Å; V9-L101 HydrophobicContact CG1-CD2 3.76Å; V9-L101 HydrophobicContact CG1-CG 4.23Å; V9-L105 HydrophobicContact CB-CD2 4.27Å; V9-L105 HydrophobicContact CG2-CD1 3.79Å; V9-L105 HydrophobicContact CG2-CD2 4Å; V9-L105 HydrophobicContact CG2-CG 4.38Å; V9-F117 HydrophobicContact CB-CE1 4.36Å; V9-F117 HydrophobicContact CG1-CD1 4.13Å; V9-F117 HydrophobicContact CG1-CE1 3.64Å; V9-F117 HydrophobicContact CG1-CZ 4.38Å; V9-F117 HydrophobicContact CG2-CD1 3.81Å; V9-F117 HydrophobicContact CG2-CE1 3.78Å; V9-F117 HydrophobicContact CG2-CG 4.19Å; V9-F117 HydrophobicContact CG2-CZ 4.14Å; V9-R140 PolarHBondContact N-O 2.86Å; V9-V141 HydrophobicContact CB-CG2 4.41Å; V9-V141 VanDerWaalsContact O-CA 3.31Å; V9-V141 WeakPolarHBondContact O-CA 3.42Å; V9-M142 PolarHBondContact O-N 3.07Å |
| 10 | L | 98.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 131 | 176.3 | -61.3 | 179.9 | 0 | 0 | 0 | 110.5 | F27 A30 L34 V42 G44 G45 V46 W78 M142 L144 V174 | L10-F27 HydrophobicContact CB-CD1 3.93Å; L10-F27 HydrophobicContact CB-CE1 3.75Å; L10-F27 HydrophobicContact CD1-CD1 4.3Å; L10-F27 WeakPolarHBondContact O-CE1 3.39Å; L10-A30 HydrophobicContact CD1-CB 3.55Å; L10-L34 HydrophobicContact CD2-CD1 3.82Å; L10-V42 HydrophobicContact CD1-CG1 4.09Å; L10-V42 HydrophobicContact CD1-CG2 4.47Å; L10-V42 HydrophobicContact CG-CG1 4.08Å; L10-V42 HydrophobicContact CG-CG2 4.48Å; L10-G44 PolarHBondContact N-O 2.59Å; L10-G45 CarbonylContact O-C 3.57Å; L10-G45 WeakPolarHBondContact O-CA 3.31Å; L10-V46 PolarHBondContact O-N 3.49Å; L10-W78 HydrophobicContact CD1-CH2 4.35Å; L10-W78 HydrophobicContact CD1-CZ3 4.48Å; L10-M142 HydrophobicContact CD2-CB 4.06Å; L10-L144 HydrophobicContact CB-CB 4.34Å; L10-L144 HydrophobicContact CB-CD2 4.49Å; L10-L144 HydrophobicContact CD1-CD2 4.41Å; L10-V174 HydrophobicContact CD2-CG2 3.78Å |
| 11 | L | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.6 | 174 | 175 | 63.9 | 0 | 0 | 0 | 110.3 | V46 V97 L98 L101 V141 M142 L144 | L11-V46 HydrophobicContact CD1-CB 4.34Å; L11-V46 HydrophobicContact CD1-CG1 4.3Å; L11-V97 HydrophobicContact CD1-CG1 4.04Å; L11-V97 HydrophobicContact CD2-CB 4.15Å; L11-V97 HydrophobicContact CD2-CG1 3.75Å; L11-L98 HydrophobicContact CB-CD2 4.22Å; L11-L98 HydrophobicContact CD2-CD2 3.54Å; L11-L98 HydrophobicContact CD2-CG 3.76Å; L11-L98 HydrophobicContact CG-CD2 4.48Å; L11-L101 HydrophobicContact CB-CD2 3.85Å; L11-L101 HydrophobicContact CD1-CD2 4.03Å; L11-L101 HydrophobicContact CG-CD2 4.35Å; L11-V141 HydrophobicContact CB-CG1 4.33Å; L11-M142 PolarHBondContact N-O 3Å; L11-L144 PolarHBondContact O-N 3.35Å |
| 12 | C | 98.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 26.5 Ų | 26.5 | 4% | 0.041 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 110.1 | 165 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | F16 F27 V46 L47 S48 | C12-F16 WeakPolarHBondContact O-CZ 3.46Å; C12-F27 HydrophobicContact CB-CE2 3.58Å; C12-F27 HydrophobicContact CB-CZ 3.42Å; C12-F27 VanDerWaalsContact CB-CZ 3.42Å; C12-V46 PolarHBondContact N-O 3.44Å; C12-L47 HydrophobicContact CB-CD2 4.16Å; C12-S48 PolarHBondContact O-N 2.74Å |
| 13 | C | 97.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 21.1 Ų | 21.1 | 16% | 0.162 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 144.4 | 168.4 | -65.3 | 0 | 0 | 0 | 0 | 109.7 | ||
| 14 | G | 96.6 | Very high | 96.7 | Very high | 16 Ų | 16 | 19.6 Ų | 19.6 | 17% | 0.165 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 177.4 | 171.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | F16 S48 P49 V50 | G14-F16 VanDerWaalsContact O-CD2 3.32Å; G14-F16 WeakPolarHBondContact O-CD2 3.28Å; G14-F16 WeakPolarHBondContact O-CE2 3.5Å; G14-S48 PolarHBondContact N-O 3.4Å; G14-P49 CarbonylContact O-C 3.57Å; G14-P49 WeakPolarHBondContact O-CA 3.32Å; G14-V50 PolarHBondContact O-N 3.36Å |
| 15 | S | 97.2 | Very high | 97.3 | Very high | 9 Ų | 9 | 17.9 Ų | 17.9 | 6% | 0.063 | 10% | 0.1 | C | C | . | . | trans | -71.5 | -33.7 | 177.3 | -44.9 | 0 | 0 | 0 | 0 | 112.7 | N17 K56 R65 | S15-N17 VanDerWaalsContact C-N 3.27Å; S15-N17 PolarHBondContact O-N 3.4Å; S15-K56 WeakPolarHBondContact OG-CD 3.44Å; S15-K56 PolarHBondContact OG-NZ 3.23Å; S15-R65 VanDerWaalsContact O-CD 3.27Å; S15-R65 WeakPolarHBondContact O-CD 3.33Å; S15-R65 PolarHBondContact O-NH1 2.93Å; S15-R65 VanDerWaalsContact O-NH1 3.12Å | ||
| 16 | F | 97.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | trans | 45.8 | 54 | -173.7 | -50.1 | -57.6 | 0 | 0 | 0 | 111.9 | C12 G14 P18 P19 H23 L47 S48 P49 | C12-F16 WeakPolarHBondContact O-CZ 3.46Å; G14-F16 VanDerWaalsContact O-CD2 3.32Å; G14-F16 WeakPolarHBondContact O-CD2 3.28Å; G14-F16 WeakPolarHBondContact O-CE2 3.5Å; F16-P18 VanDerWaalsContact C-CA 3.42Å; F16-P18 CarbonylContact O-C 3.6Å; F16-P18 WeakPolarHBondContact O-CA 3.48Å; F16-P19 VanDerWaalsContact C-N 3.33Å; F16-P19 HydrophobicContact CB-CB 4.08Å; F16-P19 HydrophobicContact CD1-CB 4.33Å; F16-P19 WeakPolarHBondContact O-CD 3.45Å; F16-H23 AromaticContact CD1-CD2 3.86Å; F16-H23 AromaticContact CD1-NE2 3.97Å; F16-H23 HydrophobicContact CE1-CB 4.5Å; F16-H23 AromaticContact CE1-CD2 3.54Å; F16-H23 AromaticContact CE1-NE2 4Å; F16-L47 HydrophobicContact CD2-CB 4.48Å; F16-L47 HydrophobicContact CE1-CD2 3.72Å; F16-L47 HydrophobicContact CE1-CG 4.5Å; F16-L47 HydrophobicContact CE2-CB 3.94Å; F16-L47 HydrophobicContact CZ-CB 3.97Å; F16-L47 HydrophobicContact CZ-CD2 3.72Å; F16-L47 HydrophobicContact CZ-CG 4.36Å; F16-S48 WeakPolarHBondContact CE2-O 3.44Å; F16-P49 HydrophobicContact CD2-CB 3.91Å; F16-P49 HydrophobicContact CD2-CG 3.85Å; F16-P49 HydrophobicContact CE2-CG 4.41Å | ||
| 17 | N | 97.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | S | Bend | trans | -123.8 | 65.4 | -170.4 | -172.6 | 57.9 | 0 | 0 | 0 | 111.7 | S15 D58 L59 C60 S213 R217 Y244 | S15-N17 VanDerWaalsContact C-N 3.27Å; S15-N17 PolarHBondContact O-N 3.4Å; N17-D58 PolarHBondContact ND2-O 3.36Å; N17-L59 HydrophobicContact CB-CD1 4.01Å; N17-L59 WeakPolarHBondContact ND2-CA 3.37Å; N17-C60 PolarHBondContact OD1-N 2.91Å; N17-C60 PolarHBondContact OD1-SG 2.97Å; N17-S213 WeakPolarHBondContact O-CB 3.26Å; N17-R217 WeakPolarHBondContact O-CD 3.33Å; N17-R217 PolarHBondContact O-NH1 3.24Å; N17-Y244 WeakPolarHBondContact CA-OH 3.32Å; N17-Y244 WeakPolarHBondContact OD1-CE1 3.35Å; N17-Y244 PolarHBondContact OD1-OH 2.82Å; N17-Y244 VanDerWaalsContact OD1-OH 3.09Å |
| 18 | P | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | S | Bend | cis | -86.6 | 167.7 | -4 | 34.9 | -35.1 | 0 | 0 | 0 | 112.7 | F16 M68 S213 I216 V230 V234 I238 Y244 | F16-P18 VanDerWaalsContact C-CA 3.42Å; F16-P18 CarbonylContact O-C 3.6Å; F16-P18 WeakPolarHBondContact O-CA 3.48Å; P18-M68 HydrophobicContact CB-CE 4.45Å; P18-M68 HydrophobicContact CB-SD 3.77Å; P18-S213 WeakPolarHBondContact O-CB 3.41Å; P18-S213 PolarHBondContact O-OG 3.34Å; P18-I216 HydrophobicContact CG-CG2 3.74Å; P18-V230 HydrophobicContact CG-CG1 4.24Å; P18-V234 HydrophobicContact CB-CG1 4.23Å; P18-I238 HydrophobicContact CB-CD1 3.86Å; P18-I238 HydrophobicContact CG-CD1 3.97Å; P18-Y244 HydrophobicContact CB-CE2 4.06Å; P18-Y244 HydrophobicContact CG-CE2 4.08Å; P18-Y244 VanDerWaalsContact N-OH 3.16Å |
| 19 | P | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.013 | 9% | 0.093 | C | C | . | . | trans | -59.4 | 153.4 | 162.8 | 28.5 | -34.8 | 0 | 0 | 0 | 110.3 | F16 M68 A72 V230 V234 | F16-P19 VanDerWaalsContact C-N 3.33Å; F16-P19 HydrophobicContact CB-CB 4.08Å; F16-P19 HydrophobicContact CD1-CB 4.33Å; F16-P19 WeakPolarHBondContact O-CD 3.45Å; P19-M68 HydrophobicContact CG-CB 3.86Å; P19-M68 WeakPolarHBondContact CG-O 3.4Å; P19-A72 HydrophobicContact CB-CB 3.92Å; P19-A72 HydrophobicContact CG-CB 3.83Å; P19-V230 WeakPolarHBondContact O-CG1 3.24Å; P19-V234 HydrophobicContact CG-CG1 4.44Å; P19-V234 HydrophobicContact CG-CG2 4.25Å | ||
| 20 | T | 98 | Very high | 97.8 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.018 | 9% | 0.093 | C | C | . | . | trans | -132.3 | 162.5 | -174.2 | 73.6 | 0 | 0 | 0 | 0 | 110 | L22 H23 I211 I216 | T20-L22 PolarHBondContact O-N 3.03Å; T20-L22 PolarHBondContact OG1-N 3.44Å; T20-H23 PolarHBondContact N-ND1 3.46Å; T20-H23 WeakPolarHBondContact O-CB 3.34Å; T20-H23 PolarHBondContact O-N 3.29Å; T20-H23 PolarHBondContact OG1-CE1 3.15Å; T20-H23 PolarHBondContact OG1-N 2.95Å; T20-H23 PolarHBondContact OG1-ND1 3.13Å; T20-I211 HydrophobicContact CG2-CG2 4.13Å; T20-I216 HydrophobicContact CG2-CD1 3.32Å | ||
| 21 | I | 97 | Very high | 97.8 | Very high | 65 Ų | 65 | 21 Ų | 21 | 33% | 0.333 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -60.6 | -32 | 175.1 | -67.3 | 167.8 | 0 | 0 | 0 | 111.2 | H23 L24 R25 Y228 L229 | I21-H23 VanDerWaalsContact C-N 3.29Å; I21-H23 PolarHBondContact O-N 3.37Å; I21-L24 PolarHBondContact O-N 3.43Å; I21-L24 VanDerWaalsContact O-N 3.16Å; I21-R25 WeakPolarHBondContact O-CB 3.25Å; I21-R25 PolarHBondContact O-N 2.75Å; I21-Y228 VanDerWaalsContact CD1-O 3.3Å; I21-Y228 WeakPolarHBondContact CD1-O 3.21Å; I21-L229 PolarHBondContact N-O 3.32Å |
| 22 | L | 95.3 | Very high | 97.7 | Very high | 19 Ų | 19 | 24 Ų | 24 | 10% | 0.099 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.4 | -40.3 | 174.1 | 176.6 | 64.3 | 0 | 0 | 0 | 112 | T20 L24 R25 M26 N209 I211 | T20-L22 PolarHBondContact O-N 3.03Å; T20-L22 PolarHBondContact OG1-N 3.44Å; L22-L24 VanDerWaalsContact C-N 3.29Å; L22-L24 PolarHBondContact O-N 2.93Å; L22-R25 PolarHBondContact O-N 3Å; L22-M26 HydrophobicContact CD1-CG 4.44Å; L22-M26 WeakPolarHBondContact O-CG 3.25Å; L22-M26 PolarHBondContact O-N 3.35Å; L22-N209 HydrophobicContact CD1-CB 4.03Å; L22-I211 HydrophobicContact CB-CB 4.18Å; L22-I211 WeakPolarHBondContact CD2-O 3.49Å |
| 23 | H | 97.5 | Very high | 97.7 | Very high | 33 Ų | 33 | 27.2 Ų | 27.2 | 15% | 0.153 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.5 | -43.9 | 177.2 | -64.1 | 97.7 | 0 | 0 | 0 | 111.4 | F16 T20 I21 F27 | F16-H23 AromaticContact CD1-CD2 3.86Å; F16-H23 AromaticContact CD1-NE2 3.97Å; F16-H23 HydrophobicContact CE1-CB 4.5Å; F16-H23 AromaticContact CE1-CD2 3.54Å; F16-H23 AromaticContact CE1-NE2 4Å; T20-H23 PolarHBondContact N-ND1 3.46Å; T20-H23 WeakPolarHBondContact O-CB 3.34Å; T20-H23 PolarHBondContact O-N 3.29Å; T20-H23 PolarHBondContact OG1-CE1 3.15Å; T20-H23 PolarHBondContact OG1-N 2.95Å; T20-H23 PolarHBondContact OG1-ND1 3.13Å; I21-H23 VanDerWaalsContact C-N 3.29Å; I21-H23 PolarHBondContact O-N 3.37Å; H23-F27 VanDerWaalsContact O-CD2 3.25Å; H23-F27 WeakPolarHBondContact O-CD2 3.29Å |
| 24 | L | 97.9 | Very high | 97.7 | Very high | 28 Ų | 28 | 26 Ų | 26 | 15% | 0.147 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.7 | -38.5 | 177.8 | -55.8 | 177.5 | 0 | 0 | 0 | 111.8 | I21 L22 M26 F27 E28 L47 A72 T73 I79 | I21-L24 PolarHBondContact O-N 3.43Å; I21-L24 VanDerWaalsContact O-N 3.16Å; L22-L24 VanDerWaalsContact C-N 3.29Å; L22-L24 PolarHBondContact O-N 2.93Å; L24-M26 VanDerWaalsContact C-N 3.3Å; L24-M26 PolarHBondContact O-N 3.29Å; L24-F27 WeakPolarHBondContact O-CB 3.25Å; L24-F27 PolarHBondContact O-N 2.72Å; L24-F27 VanDerWaalsContact O-N 3.12Å; L24-E28 PolarHBondContact O-N 3.44Å; L24-L47 HydrophobicContact CD2-CD1 4.49Å; L24-A72 WeakPolarHBondContact CD1-O 3.5Å; L24-T73 HydrophobicContact CD2-CG2 3.99Å; L24-I79 HydrophobicContact CD2-CD1 4.46Å |
| 25 | R | 96.9 | Very high | 97.8 | Very high | 83 Ų | 83 | 28.6 Ų | 28.6 | 31% | 0.313 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -59.9 | -39.9 | 177.3 | 176.3 | 54.8 | -177.7 | 170.1 | 2.8 | 111.7 | I21 L22 F27 E28 I29 E205 | I21-R25 WeakPolarHBondContact O-CB 3.25Å; I21-R25 PolarHBondContact O-N 2.75Å; L22-R25 PolarHBondContact O-N 3Å; R25-F27 PolarHBondContact O-N 2.9Å; R25-E28 PolarHBondContact O-N 3.5Å; R25-I29 HydrophobicContact CG-CD1 4Å; R25-I29 HydrophobicContact CG-CG1 4.36Å; R25-I29 VanDerWaalsContact CZ-CG1 3.45Å; R25-I29 VanDerWaalsContact O-CG1 3.3Å; R25-I29 WeakPolarHBondContact O-CG1 3.22Å; R25-I29 PolarHBondContact O-N 2.78Å; R25-I29 VanDerWaalsContact O-N 3.17Å; R25-E205 IonicContact CZ-OE2 3.66Å; R25-E205 IonicContact NE-OE2 2.66Å; R25-E205 PolarHBondContact NE-OE2 3.04Å; R25-E205 IonicContact NH2-OE1 3.47Å; R25-E205 PolarHBondContact NH2-OE1 3.3Å; R25-E205 IonicContact NH2-OE2 3.95Å; R25-E205 PolarHBondContact NH2-OE2 2.71Å |
| 26 | M | 97.5 | Very high | 97.8 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 8% | 0.084 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -56.1 | -39.1 | 175.5 | -70.2 | -169.1 | -65.4 | 0 | 0 | 112.4 | L22 L24 A30 L144 I176 | L22-M26 HydrophobicContact CD1-CG 4.44Å; L22-M26 WeakPolarHBondContact O-CG 3.25Å; L22-M26 PolarHBondContact O-N 3.35Å; L24-M26 VanDerWaalsContact C-N 3.3Å; L24-M26 PolarHBondContact O-N 3.29Å; M26-A30 WeakPolarHBondContact O-CB 3.26Å; M26-A30 PolarHBondContact O-N 3.23Å; M26-L144 HydrophobicContact CB-CD1 4.37Å; M26-L144 HydrophobicContact CB-CD2 4.09Å; M26-L144 HydrophobicContact CB-CG 4.36Å; M26-I176 HydrophobicContact CB-CG1 4.03Å; M26-I176 HydrophobicContact CG-CB 4.44Å; M26-I176 HydrophobicContact CG-CG1 3.94Å; M26-I176 HydrophobicContact SD-CG1 4.31Å |
| 27 | F | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.8 | -46.2 | 177.8 | -81.4 | -83.6 | 0 | 0 | 0 | 112.1 | L10 C12 H23 L24 R25 A30 R31 G45 L47 W78 I79 L144 | L10-F27 HydrophobicContact CB-CD1 3.93Å; L10-F27 HydrophobicContact CB-CE1 3.75Å; L10-F27 HydrophobicContact CD1-CD1 4.3Å; L10-F27 WeakPolarHBondContact O-CE1 3.39Å; C12-F27 HydrophobicContact CB-CE2 3.58Å; C12-F27 HydrophobicContact CB-CZ 3.42Å; C12-F27 VanDerWaalsContact CB-CZ 3.42Å; H23-F27 VanDerWaalsContact O-CD2 3.25Å; H23-F27 WeakPolarHBondContact O-CD2 3.29Å; L24-F27 WeakPolarHBondContact O-CB 3.25Å; L24-F27 PolarHBondContact O-N 2.72Å; L24-F27 VanDerWaalsContact O-N 3.12Å; R25-F27 PolarHBondContact O-N 2.9Å; F27-A30 PolarHBondContact O-N 2.84Å; F27-R31 WeakPolarHBondContact O-CB 3.31Å; F27-R31 PolarHBondContact O-N 3.32Å; F27-G45 VanDerWaalsContact CE1-CA 3.46Å; F27-L47 HydrophobicContact CD2-CD2 4.39Å; F27-L47 HydrophobicContact CE2-CD2 3.4Å; F27-L47 VanDerWaalsContact CE2-CD2 3.4Å; F27-L47 HydrophobicContact CE2-CG 4.42Å; F27-L47 HydrophobicContact CZ-CD2 3.95Å; F27-W78 HydrophobicContact CB-CH2 3.57Å; F27-W78 HydrophobicContact CB-CZ2 3.7Å; F27-W78 AromaticContact CD1-CH2 3.9Å; F27-W78 HydrophobicContact CD1-CH2 3.9Å; F27-W78 HydrophobicContact CD1-CZ3 4.15Å; F27-W78 HydrophobicContact CG-CH2 4.2Å; F27-W78 WeakPolarHBondContact O-CH2 3.34Å; F27-I79 HydrophobicContact CB-CD1 3.49Å; F27-I79 VanDerWaalsContact CB-CD1 3.49Å; F27-I79 HydrophobicContact CB-CG1 4.09Å; F27-I79 HydrophobicContact CD1-CG1 4.39Å; F27-I79 HydrophobicContact CD2-CD1 4.26Å; F27-I79 HydrophobicContact CD2-CG2 4.38Å; F27-I79 HydrophobicContact CE2-CG2 4.49Å; F27-I79 HydrophobicContact CG-CD1 3.89Å; F27-I79 HydrophobicContact CG-CG1 4.15Å; F27-I79 HydrophobicContact CG-CG2 4.47Å; F27-L144 HydrophobicContact CB-CD2 4.25Å; F27-L144 HydrophobicContact CD1-CD2 3.59Å; F27-L144 HydrophobicContact CD2-CD2 3.81Å; F27-L144 HydrophobicContact CE1-CD2 3.74Å; F27-L144 HydrophobicContact CE2-CD2 3.91Å; F27-L144 HydrophobicContact CG-CD2 3.62Å; F27-L144 HydrophobicContact CZ-CD2 3.91Å |
| 28 | E | 98.2 | Very high | 97.7 | Very high | 56 Ų | 56 | 41.6 Ų | 41.6 | 26% | 0.262 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.8 | -48.3 | -178.8 | -62.9 | -66.5 | 137.7 | 0 | 0 | 111.2 | L24 R25 A30 R31 D32 W78 | L24-E28 PolarHBondContact O-N 3.44Å; R25-E28 PolarHBondContact O-N 3.5Å; E28-A30 PolarHBondContact O-N 2.88Å; E28-R31 PolarHBondContact O-N 3.14Å; E28-R31 IonicContact OE1-NH1 3.77Å; E28-R31 IonicContact OE2-CZ 3.33Å; E28-R31 IonicContact OE2-NH1 2.7Å; E28-R31 IonicContact OE2-NH2 3.66Å; E28-R31 PolarHBondContact OE2-NH2 2.97Å; E28-D32 PolarHBondContact O-N 3.44Å; E28-W78 PolarHBondContact OE1-NE1 3.09Å |
| 29 | I | 97.6 | Very high | 97.6 | Very high | 18 Ų | 18 | 48 Ų | 48 | 9% | 0.092 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.5 | -42.2 | 179.8 | -47.5 | 157.9 | 0 | 0 | 0 | 110.9 | R25 D32 Y33 I176 V203 E205 | R25-I29 HydrophobicContact CG-CD1 4Å; R25-I29 HydrophobicContact CG-CG1 4.36Å; R25-I29 VanDerWaalsContact CZ-CG1 3.45Å; R25-I29 VanDerWaalsContact O-CG1 3.3Å; R25-I29 WeakPolarHBondContact O-CG1 3.22Å; R25-I29 PolarHBondContact O-N 2.78Å; R25-I29 VanDerWaalsContact O-N 3.17Å; I29-D32 PolarHBondContact O-N 3.49Å; I29-Y33 WeakPolarHBondContact O-CB 3.14Å; I29-Y33 PolarHBondContact O-N 3.3Å; I29-I176 HydrophobicContact CD1-CG2 4.35Å; I29-V203 HydrophobicContact CG2-CG1 3.44Å; I29-V203 VanDerWaalsContact CG2-CG1 3.44Å; I29-E205 HydrophobicContact CD1-CB 4.03Å; I29-E205 HydrophobicContact CD1-CG 4.05Å; I29-E205 WeakPolarHBondContact CD1-OE2 3.35Å |
| 30 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L10 M26 F27 E28 L34 L144 V174 I176 | L10-A30 HydrophobicContact CD1-CB 3.55Å; M26-A30 WeakPolarHBondContact O-CB 3.26Å; M26-A30 PolarHBondContact O-N 3.23Å; F27-A30 PolarHBondContact O-N 2.84Å; E28-A30 PolarHBondContact O-N 2.88Å; A30-L34 WeakPolarHBondContact O-CB 3.39Å; A30-L34 WeakPolarHBondContact O-CG 3.19Å; A30-L34 PolarHBondContact O-N 3.25Å; A30-L144 HydrophobicContact CB-CD1 3.6Å; A30-L144 HydrophobicContact CB-CD2 4.36Å; A30-V174 HydrophobicContact CB-CB 4.39Å; A30-V174 HydrophobicContact CB-CG1 3.65Å; A30-I176 HydrophobicContact CB-CD1 4.33Å |
| 31 | R | 98.5 | Very high | 97.5 | Very high | 59 Ų | 59 | 51.3 Ų | 51.3 | 22% | 0.223 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62 | -51.5 | 176 | 174.4 | -176.3 | 77.6 | -169.8 | -3 | 111.4 | F27 E28 Y33 L34 N35 V42 W78 | F27-R31 WeakPolarHBondContact O-CB 3.31Å; F27-R31 PolarHBondContact O-N 3.32Å; E28-R31 PolarHBondContact O-N 3.14Å; E28-R31 IonicContact OE1-NH1 3.77Å; E28-R31 IonicContact OE2-CZ 3.33Å; E28-R31 IonicContact OE2-NH1 2.7Å; E28-R31 IonicContact OE2-NH2 3.66Å; E28-R31 PolarHBondContact OE2-NH2 2.97Å; R31-Y33 VanDerWaalsContact C-N 3.3Å; R31-Y33 PolarHBondContact O-N 2.75Å; R31-L34 PolarHBondContact O-N 3.42Å; R31-N35 WeakPolarHBondContact O-CB 3.35Å; R31-N35 VanDerWaalsContact O-CG 3.29Å; R31-N35 PolarHBondContact O-N 3.2Å; R31-V42 HydrophobicContact CB-CB 4.3Å; R31-V42 HydrophobicContact CB-CG1 4.19Å; R31-V42 HydrophobicContact CG-CB 3.92Å; R31-V42 HydrophobicContact CG-CG1 4.12Å; R31-V42 HydrophobicContact CG-CG2 4.5Å; R31-W78 HydrophobicContact CB-CH2 3.68Å; R31-W78 HydrophobicContact CB-CZ2 3.97Å; R31-W78 HydrophobicContact CB-CZ3 4.39Å; R31-W78 HydrophobicContact CG-CH2 4.37Å |
| 32 | D | 98.2 | Very high | 97.6 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 34% | 0.342 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.1 | -46.2 | -177.5 | -63.9 | -9.4 | 0 | 0 | 0 | 109.7 | E28 I29 E36 | E28-D32 PolarHBondContact O-N 3.44Å; I29-D32 PolarHBondContact O-N 3.49Å; D32-E36 VanDerWaalsContact O-CB 3.32Å; D32-E36 WeakPolarHBondContact O-CB 3.43Å; D32-E36 VanDerWaalsContact O-CG 3.26Å; D32-E36 WeakPolarHBondContact O-CG 3.41Å; D32-E36 PolarHBondContact O-N 3.41Å; D32-E36 VanDerWaalsContact O-N 3.1Å |
| 33 | Y | 98.5 | Very high | 97.7 | Very high | 72 Ų | 72 | 49 Ų | 49 | 28% | 0.282 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.9 | -51.6 | 176.4 | 179 | -88.4 | 0 | 0 | 0 | 112.9 | I29 R31 E36 N37 T38 H201 V203 | I29-Y33 WeakPolarHBondContact O-CB 3.14Å; I29-Y33 PolarHBondContact O-N 3.3Å; R31-Y33 VanDerWaalsContact C-N 3.3Å; R31-Y33 PolarHBondContact O-N 2.75Å; Y33-E36 PolarHBondContact O-N 3.07Å; Y33-N37 HydrophobicContact CE1-CB 4.41Å; Y33-N37 HydrophobicContact CE2-CB 4.28Å; Y33-N37 VanDerWaalsContact O-CB 3.28Å; Y33-N37 WeakPolarHBondContact O-CB 3.36Å; Y33-N37 PolarHBondContact O-N 3.04Å; Y33-N37 PolarHBondContact O-ND2 2.93Å; Y33-T38 HydrophobicContact CE1-CG2 4.42Å; Y33-H201 HydrophobicContact CD1-CB 4.46Å; Y33-H201 HydrophobicContact CE1-CB 3.92Å; Y33-V203 HydrophobicContact CD1-CG2 3.65Å; Y33-V203 HydrophobicContact CD2-CG1 4.05Å; Y33-V203 HydrophobicContact CD2-CG2 4.06Å; Y33-V203 HydrophobicContact CE1-CG2 4.22Å; Y33-V203 HydrophobicContact CG-CB 4.38Å; Y33-V203 HydrophobicContact CG-CG1 3.99Å; Y33-V203 HydrophobicContact CG-CG2 3.57Å |
| 34 | L | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -46.6 | -176.6 | -74.4 | -178.3 | 0 | 0 | 0 | 111.4 | L10 A30 R31 E36 T38 F40 V42 M142 V174 H201 | L10-L34 HydrophobicContact CD2-CD1 3.82Å; A30-L34 WeakPolarHBondContact O-CB 3.39Å; A30-L34 WeakPolarHBondContact O-CG 3.19Å; A30-L34 PolarHBondContact O-N 3.25Å; R31-L34 PolarHBondContact O-N 3.42Å; L34-E36 VanDerWaalsContact C-N 3.26Å; L34-E36 PolarHBondContact O-N 3.16Å; L34-T38 HydrophobicContact CD2-CG2 3.84Å; L34-T38 WeakPolarHBondContact O-CB 3.49Å; L34-T38 PolarHBondContact O-N 2.95Å; L34-T38 PolarHBondContact O-OG1 3.41Å; L34-F40 HydrophobicContact CD2-CD2 4.32Å; L34-V42 HydrophobicContact CB-CG2 3.83Å; L34-V42 HydrophobicContact CD1-CG2 3.6Å; L34-V42 HydrophobicContact CG-CG2 4.36Å; L34-M142 HydrophobicContact CD1-SD 4Å; L34-M142 HydrophobicContact CD2-SD 4.33Å; L34-V174 HydrophobicContact CD1-CG2 3.81Å; L34-V174 HydrophobicContact CD2-CG2 4.33Å; L34-V174 HydrophobicContact CG-CG2 4.28Å; L34-H201 HydrophobicContact CD2-CB 4.24Å |
| 35 | N | 97.6 | Very high | 97.8 | Very high | 70 Ų | 70 | 46.1 Ų | 46.1 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.6 | -31.7 | -179.1 | -71.2 | -3.2 | 0 | 0 | 0 | 112.7 | R31 V42 | R31-N35 WeakPolarHBondContact O-CB 3.35Å; R31-N35 VanDerWaalsContact O-CG 3.29Å; R31-N35 PolarHBondContact O-N 3.2Å; N35-V42 PolarHBondContact OD1-N 2.64Å |
| 36 | E | 97.1 | Very high | 97.8 | Very high | 152 Ų | 152 | 42.1 Ų | 42.1 | 71% | 0.71 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -89.8 | -31.7 | -177.6 | -70.7 | 176.8 | -178.2 | 0 | 0 | 113.9 | D32 Y33 L34 | D32-E36 VanDerWaalsContact O-CB 3.32Å; D32-E36 WeakPolarHBondContact O-CB 3.43Å; D32-E36 VanDerWaalsContact O-CG 3.26Å; D32-E36 WeakPolarHBondContact O-CG 3.41Å; D32-E36 PolarHBondContact O-N 3.41Å; D32-E36 VanDerWaalsContact O-N 3.1Å; Y33-E36 PolarHBondContact O-N 3.07Å; L34-E36 VanDerWaalsContact C-N 3.26Å; L34-E36 PolarHBondContact O-N 3.16Å |
| 37 | N | 97.5 | Very high | 97.9 | Very high | 100 Ų | 100 | 41.3 Ų | 41.3 | 54% | 0.535 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -116.7 | 0.1 | -166.5 | -58.8 | -87.8 | 0 | 0 | 0 | 113.7 | Y33 | Y33-N37 HydrophobicContact CE1-CB 4.41Å; Y33-N37 HydrophobicContact CE2-CB 4.28Å; Y33-N37 VanDerWaalsContact O-CB 3.28Å; Y33-N37 WeakPolarHBondContact O-CB 3.36Å; Y33-N37 PolarHBondContact O-N 3.04Å; Y33-N37 PolarHBondContact O-ND2 2.93Å |
| 38 | T | 96.6 | Very high | 97.9 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 20% | 0.202 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -139.5 | 173 | -178.1 | 77.7 | 0 | 0 | 0 | 0 | 111 | Y33 L34 F40 | Y33-T38 HydrophobicContact CE1-CG2 4.42Å; L34-T38 HydrophobicContact CD2-CG2 3.84Å; L34-T38 WeakPolarHBondContact O-CB 3.49Å; L34-T38 PolarHBondContact O-N 2.95Å; L34-T38 PolarHBondContact O-OG1 3.41Å; T38-F40 HydrophobicContact CG2-CD2 4.47Å; T38-F40 PolarHBondContact O-N 3.27Å; T38-F40 WeakPolarHBondContact OG1-CB 3.28Å; T38-F40 VanDerWaalsContact OG1-CD2 3.32Å; T38-F40 WeakPolarHBondContact OG1-CD2 3.2Å; T38-F40 PolarHBondContact OG1-N 3.26Å; T38-F40 VanDerWaalsContact OG1-N 3.11Å |
| 39 | D | 95.7 | Very high | 97.8 | Very high | 135 Ų | 135 | 38.7 Ų | 38.7 | 72% | 0.722 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -81.4 | 5.8 | 173.1 | -60.1 | -46.8 | 0 | 0 | 0 | 112.8 | G5 I6 | G5-D39 CarbonylContact C-O 3.49Å; G5-D39 WeakPolarHBondContact CA-O 3.4Å; I6-D39 PolarHBondContact N-O 3.32Å |
| 40 | F | 97.1 | Very high | 97.8 | Very high | 30 Ų | 30 | 38.2 Ų | 38.2 | 13% | 0.132 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 142.4 | 178.8 | -64.9 | -68.7 | 0 | 0 | 0 | 112 | I6 C8 L34 T38 R140 M142 H201 | I6-F40 HydrophobicContact CB-CD1 3.74Å; I6-F40 HydrophobicContact CB-CE1 4.03Å; I6-F40 HydrophobicContact CD1-CE1 4.29Å; I6-F40 HydrophobicContact CG2-CD1 3.86Å; I6-F40 HydrophobicContact CG2-CE1 3.82Å; I6-F40 CarbonylContact O-C 3.6Å; I6-F40 WeakPolarHBondContact O-CA 3.15Å; C8-F40 HydrophobicContact CB-CB 3.96Å; C8-F40 HydrophobicContact CB-CD1 4.03Å; C8-F40 HydrophobicContact CB-CG 4.25Å; L34-F40 HydrophobicContact CD2-CD2 4.32Å; T38-F40 HydrophobicContact CG2-CD2 4.47Å; T38-F40 PolarHBondContact O-N 3.27Å; T38-F40 WeakPolarHBondContact OG1-CB 3.28Å; T38-F40 VanDerWaalsContact OG1-CD2 3.32Å; T38-F40 WeakPolarHBondContact OG1-CD2 3.2Å; T38-F40 PolarHBondContact OG1-N 3.26Å; T38-F40 VanDerWaalsContact OG1-N 3.11Å; F40-R140 HydrophobicContact CD1-CB 4.16Å; F40-R140 HydrophobicContact CE1-CB 3.62Å; F40-R140 HydrophobicContact CE1-CG 4.05Å; F40-R140 HydrophobicContact CZ-CB 4.38Å; F40-R140 HydrophobicContact CZ-CG 4.32Å; F40-M142 HydrophobicContact CD1-CE 4.4Å; F40-M142 HydrophobicContact CD2-CE 3.65Å; F40-M142 HydrophobicContact CE1-CE 4.03Å; F40-M142 HydrophobicContact CE2-CE 3.2Å; F40-M142 HydrophobicContact CG-CE 4.25Å; F40-M142 HydrophobicContact CZ-CE 3.42Å; F40-M142 VanDerWaalsContact CZ-CE 3.42Å; F40-H201 AromaticContact CE2-NE2 3.99Å |
| 41 | E | 97.4 | Very high | 97.8 | Very high | 44 Ų | 44 | 39.6 Ų | 39.6 | 21% | 0.206 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 110.4 | 165.1 | -179.6 | -169.6 | 149.7 | 0 | 0 | 108.2 | H3 S4 I6 P7 C8 I43 | H3-E41 VanDerWaalsContact C-OE2 3.29Å; H3-E41 WeakPolarHBondContact CA-OE2 3.38Å; H3-E41 WeakPolarHBondContact CB-OE2 3.47Å; H3-E41 IonicContact CE1-OE1 3.99Å; H3-E41 IonicContact CG-OE2 2.59Å; H3-E41 IonicContact ND1-OE1 3.27Å; H3-E41 PolarHBondContact ND1-OE1 3.05Å; H3-E41 VanDerWaalsContact ND1-OE1 3.07Å; H3-E41 IonicContact ND1-OE2 2.64Å; H3-E41 PolarHBondContact ND1-OE2 3.22Å; S4-E41 PolarHBondContact N-OE2 3.06Å; S4-E41 PolarHBondContact OG-OE2 3.2Å; I6-E41 PolarHBondContact O-N 3.37Å; P7-E41 CarbonylContact C-O 3.6Å; P7-E41 WeakPolarHBondContact CA-O 3.4Å; C8-E41 PolarHBondContact N-O 3.22Å; E41-I43 HydrophobicContact CG-CG2 4Å; E41-I43 PolarHBondContact O-N 3.4Å |
| 42 | V | 98.4 | Very high | 97.6 | Very high | 12 Ų | 12 | 39.9 Ų | 39.9 | 7% | 0.073 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 111.2 | 177 | 176.8 | 0 | 0 | 0 | 0 | 109.9 | C8 L10 R31 L34 N35 W78 | C8-V42 HydrophobicContact CB-CG2 4.26Å; C8-V42 CarbonylContact O-C 3.52Å; C8-V42 WeakPolarHBondContact O-CA 3.45Å; L10-V42 HydrophobicContact CD1-CG1 4.09Å; L10-V42 HydrophobicContact CD1-CG2 4.47Å; L10-V42 HydrophobicContact CG-CG1 4.08Å; L10-V42 HydrophobicContact CG-CG2 4.48Å; R31-V42 HydrophobicContact CB-CB 4.3Å; R31-V42 HydrophobicContact CB-CG1 4.19Å; R31-V42 HydrophobicContact CG-CB 3.92Å; R31-V42 HydrophobicContact CG-CG1 4.12Å; R31-V42 HydrophobicContact CG-CG2 4.5Å; L34-V42 HydrophobicContact CB-CG2 3.83Å; L34-V42 HydrophobicContact CD1-CG2 3.6Å; L34-V42 HydrophobicContact CG-CG2 4.36Å; N35-V42 PolarHBondContact OD1-N 2.64Å; V42-W78 HydrophobicContact CG1-CE3 4.09Å; V42-W78 HydrophobicContact CG1-CH2 4.2Å; V42-W78 HydrophobicContact CG1-CZ3 3.48Å; V42-W78 VanDerWaalsContact CG1-CZ3 3.48Å |
| 43 | I | 97.5 | Very high | 97.5 | Very high | 23 Ų | 23 | 40.1 Ų | 40.1 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | -6.8 | -177.3 | 59.3 | 156.5 | 0 | 0 | 0 | 113.2 | P7 C8 V9 E41 L105 Y108 L109 | P7-I43 HydrophobicContact CB-CD1 3.91Å; P7-I43 HydrophobicContact CB-CG1 4.27Å; C8-I43 WeakPolarHBondContact O-CG1 3.28Å; C8-I43 PolarHBondContact O-N 3.08Å; V9-I43 HydrophobicContact CG2-CD1 4.43Å; V9-I43 HydrophobicContact CG2-CG1 4.04Å; E41-I43 HydrophobicContact CG-CG2 4Å; E41-I43 PolarHBondContact O-N 3.4Å; I43-L105 HydrophobicContact CD1-CD1 3.8Å; I43-Y108 HydrophobicContact CD1-CD1 4.32Å; I43-Y108 HydrophobicContact CD1-CE1 3.85Å; I43-L109 HydrophobicContact CD1-CD2 4.19Å |
| 44 | G | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.9 | 151 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V9 L10 | V9-G44 WeakPolarHBondContact CA-O 3.38Å; L10-G44 PolarHBondContact N-O 2.59Å |
| 45 | G | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 142.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | L10 F27 W78 I79 G80 | L10-G45 CarbonylContact O-C 3.57Å; L10-G45 WeakPolarHBondContact O-CA 3.31Å; F27-G45 VanDerWaalsContact CE1-CA 3.46Å; G45-W78 PolarHBondContact N-O 2.57Å; G45-I79 CarbonylContact O-C 3.59Å; G45-I79 WeakPolarHBondContact O-CA 3.44Å; G45-G80 PolarHBondContact O-N 3.31Å |
| 46 | V | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 119.4 | -174.8 | -175.1 | 0 | 0 | 0 | 0 | 111 | V9 L10 L11 C12 D82 L101 F117 L121 | V9-V46 HydrophobicContact CG1-CG2 3.85Å; L10-V46 PolarHBondContact O-N 3.49Å; L11-V46 HydrophobicContact CD1-CB 4.34Å; L11-V46 HydrophobicContact CD1-CG1 4.3Å; C12-V46 PolarHBondContact N-O 3.44Å; V46-D82 HydrophobicContact CG1-CB 3.48Å; V46-D82 VanDerWaalsContact CG1-CB 3.48Å; V46-L101 HydrophobicContact CB-CD2 4Å; V46-L101 HydrophobicContact CG1-CD2 4.43Å; V46-L101 HydrophobicContact CG2-CD1 3.95Å; V46-L101 HydrophobicContact CG2-CD2 3.88Å; V46-F117 HydrophobicContact CG2-CD1 4.47Å; V46-F117 HydrophobicContact CG2-CE1 3.87Å; V46-L121 HydrophobicContact CG1-CD1 4.46Å; V46-L121 HydrophobicContact CG2-CD1 3.63Å |
| 47 | L | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 124.8 | 160.9 | -58.2 | -176.7 | 0 | 0 | 0 | 109.2 | C12 F16 L24 F27 P49 A69 T73 G80 I81 D82 | C12-L47 HydrophobicContact CB-CD2 4.16Å; F16-L47 HydrophobicContact CD2-CB 4.48Å; F16-L47 HydrophobicContact CE1-CD2 3.72Å; F16-L47 HydrophobicContact CE1-CG 4.5Å; F16-L47 HydrophobicContact CE2-CB 3.94Å; F16-L47 HydrophobicContact CZ-CB 3.97Å; F16-L47 HydrophobicContact CZ-CD2 3.72Å; F16-L47 HydrophobicContact CZ-CG 4.36Å; L24-L47 HydrophobicContact CD2-CD1 4.49Å; F27-L47 HydrophobicContact CD2-CD2 4.39Å; F27-L47 HydrophobicContact CE2-CD2 3.4Å; F27-L47 VanDerWaalsContact CE2-CD2 3.4Å; F27-L47 HydrophobicContact CE2-CG 4.42Å; F27-L47 HydrophobicContact CZ-CD2 3.95Å; L47-P49 WeakPolarHBondContact O-CD 3.15Å; L47-A69 HydrophobicContact CD1-CB 4.24Å; L47-T73 HydrophobicContact CD1-CG2 3.54Å; L47-T73 HydrophobicContact CG-CG2 4.06Å; L47-G80 PolarHBondContact N-O 2.97Å; L47-I81 HydrophobicContact CB-CG2 4.26Å; L47-I81 CarbonylContact O-C 3.52Å; L47-I81 WeakPolarHBondContact O-CA 3.3Å; L47-D82 PolarHBondContact O-N 3.33Å |
| 48 | S | 97.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 96.9 | 174 | -171.1 | 0 | 0 | 0 | 0 | 110.9 | C12 G14 F16 V50 V97 | C12-S48 PolarHBondContact O-N 2.74Å; G14-S48 PolarHBondContact N-O 3.4Å; F16-S48 WeakPolarHBondContact CE2-O 3.44Å; S48-V50 PolarHBondContact O-N 3.48Å; S48-V97 WeakPolarHBondContact OG-CG1 3.46Å |
| 49 | P | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 131.7 | 179.2 | -18.1 | 30.1 | 0 | 0 | 0 | 111.5 | G14 F16 L47 I66 A69 D82 C86 | G14-P49 CarbonylContact O-C 3.57Å; G14-P49 WeakPolarHBondContact O-CA 3.32Å; F16-P49 HydrophobicContact CD2-CB 3.91Å; F16-P49 HydrophobicContact CD2-CG 3.85Å; F16-P49 HydrophobicContact CE2-CG 4.41Å; L47-P49 WeakPolarHBondContact O-CD 3.15Å; P49-I66 HydrophobicContact CG-CG1 4.32Å; P49-A69 HydrophobicContact CG-CB 4.35Å; P49-D82 WeakPolarHBondContact CD-O 3.39Å; P49-C86 PolarHBondContact O-SG 2.73Å |
| 50 | V | 97.2 | Very high | 95.1 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 6% | 0.055 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -64.1 | 156.6 | 179.9 | -60.7 | 0 | 0 | 0 | 0 | 112.4 | G14 S48 Y54 R65 E85 C86 | G14-V50 PolarHBondContact O-N 3.36Å; S48-V50 PolarHBondContact O-N 3.48Å; V50-Y54 HydrophobicContact CB-CG 4.25Å; V50-Y54 HydrophobicContact CG2-CD1 3.89Å; V50-Y54 HydrophobicContact CG2-CG 3.88Å; V50-R65 PolarHBondContact O-NH1 3.18Å; V50-R65 PolarHBondContact O-NH2 3.06Å; V50-E85 VanDerWaalsContact CA-CD 3.43Å; V50-E85 WeakPolarHBondContact CA-OE1 3.45Å; V50-E85 WeakPolarHBondContact CB-OE1 3.36Å; V50-C86 PolarHBondContact O-SG 3.27Å; V50-C86 VanDerWaalsContact O-SG 3.36Å |
| 51 | H | 97.2 | Very high | 95.1 | Very high | 29 Ų | 29 | 40 Ų | 40 | 13% | 0.134 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 154.8 | 174.8 | -171.8 | -98 | 0 | 0 | 0 | 112.9 | S53 Y54 E85 Q88 W91 | H51-S53 WeakPolarHBondContact ND1-CB 3.34Å; H51-S53 PolarHBondContact ND1-N 3.02Å; H51-S53 PolarHBondContact ND1-OG 3.49Å; H51-S53 PolarHBondContact O-N 3.16Å; H51-Y54 WeakPolarHBondContact O-CB 3.32Å; H51-Y54 PolarHBondContact O-N 3.37Å; H51-Y54 VanDerWaalsContact O-N 3.08Å; H51-E85 HydrophobicContact CB-CG 4.36Å; H51-E85 PolarHBondContact N-OE1 2.78Å; H51-Q88 PolarHBondContact CD2-O 3.13Å; H51-Q88 PolarHBondContact NE2-O 2.91Å; H51-W91 HydrophobicContact CB-CB 4.42Å; H51-W91 PolarHBondContact ND1-N 3.37Å |
| 52 | D | 96.2 | Very high | 95 | Very high | 64 Ų | 64 | 38.8 Ų | 38.8 | 34% | 0.342 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -63.8 | -27.5 | -178.8 | -79.9 | -7.6 | 0 | 0 | 0 | 113.6 | Y54 A61 S62 R65 | D52-Y54 PolarHBondContact O-N 2.98Å; D52-A61 WeakPolarHBondContact OD2-CA 3.42Å; D52-S62 VanDerWaalsContact CG-N 3.29Å; D52-S62 WeakPolarHBondContact OD1-CA 3.16Å; D52-S62 WeakPolarHBondContact OD1-CB 3.31Å; D52-S62 PolarHBondContact OD1-N 2.76Å; D52-S62 PolarHBondContact OD2-N 3.25Å; D52-R65 IonicContact OD1-CZ 3.79Å; D52-R65 IonicContact OD1-NE 3.85Å; D52-R65 IonicContact OD1-NH2 3.97Å; D52-R65 PolarHBondContact OD1-NH2 2.6Å |
| 53 | S | 95 | Very high | 95 | Very high | 69 Ų | 69 | 44 Ų | 44 | 48% | 0.483 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -76.4 | 2.8 | 175.4 | 74.2 | 0 | 0 | 0 | 0 | 114.7 | H51 G55 W91 | H51-S53 WeakPolarHBondContact ND1-CB 3.34Å; H51-S53 PolarHBondContact ND1-N 3.02Å; H51-S53 PolarHBondContact ND1-OG 3.49Å; H51-S53 PolarHBondContact O-N 3.16Å; S53-G55 PolarHBondContact O-N 3.27Å; S53-W91 PolarHBondContact OG-N 3.07Å |
| 54 | Y | 89.8 | Confident | 95 | Very high | 111 Ų | 111 | 45.3 Ų | 45.3 | 44% | 0.435 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -58.5 | -19.2 | 174.9 | -178.1 | -112.3 | 0 | 0 | 0 | 113.2 | V50 H51 D52 K56 W91 | V50-Y54 HydrophobicContact CB-CG 4.25Å; V50-Y54 HydrophobicContact CG2-CD1 3.89Å; V50-Y54 HydrophobicContact CG2-CG 3.88Å; H51-Y54 WeakPolarHBondContact O-CB 3.32Å; H51-Y54 PolarHBondContact O-N 3.37Å; H51-Y54 VanDerWaalsContact O-N 3.08Å; D52-Y54 PolarHBondContact O-N 2.98Å; Y54-K56 HydrophobicContact CD1-CB 3.82Å; Y54-K56 HydrophobicContact CE1-CB 4.13Å; Y54-K56 HydrophobicContact CE1-CD 4.4Å; Y54-K56 PolarHBondContact O-N 3.45Å; Y54-W91 AromaticContact CD2-CD1 3.45Å; Y54-W91 VanDerWaalsContact CD2-CD1 3.45Å; Y54-W91 HydrophobicContact CD2-CG 4.09Å; Y54-W91 AromaticContact CD2-NE1 3.45Å; Y54-W91 AromaticContact CE2-NE1 3.82Å |
| 55 | G | 83.8 | Confident | 95 | Very high | 70 Ų | 70 | 45.3 Ų | 45.3 | 72% | 0.722 | 25% | 0.251 | S | S | * | . | trans | 77.9 | 18 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | S53 | S53-G55 PolarHBondContact O-N 3.27Š| ||
| 56 | K | 87.8 | Confident | 95 | Very high | 79 Ų | 79 | 46 Ų | 46 | 34% | 0.343 | 26% | 0.255 | S | S | . | . | trans | -73.2 | 135.8 | 176.6 | -172.9 | 171.2 | -171.8 | 161.9 | 0 | 111.3 | S15 Y54 D58 L59 | S15-K56 WeakPolarHBondContact OG-CD 3.44Å; S15-K56 PolarHBondContact OG-NZ 3.23Å; Y54-K56 HydrophobicContact CD1-CB 3.82Å; Y54-K56 HydrophobicContact CE1-CB 4.13Å; Y54-K56 HydrophobicContact CE1-CD 4.4Å; Y54-K56 PolarHBondContact O-N 3.45Å; K56-D58 PolarHBondContact O-N 2.89Å; K56-L59 HydrophobicContact CB-CB 4.28Å; K56-L59 HydrophobicContact CB-CD2 4.45Å; K56-L59 WeakPolarHBondContact O-CB 3.24Å; K56-L59 PolarHBondContact O-N 3.44Å | ||
| 57 | K | 88 | Confident | 95 | Very high | 169 Ų | 169 | 49 Ų | 49 | 74% | 0.735 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 137.6 | 174.2 | -174.5 | 178 | 179.1 | 178.4 | 0 | 111.6 | L59 | K57-L59 PolarHBondContact O-N 3.41Š|
| 58 | D | 90.9 | Very high | 95 | Very high | 61 Ų | 61 | 49 Ų | 49 | 33% | 0.326 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 22.5 | -179.1 | -47.9 | -24.6 | 0 | 0 | 0 | 113.9 | N17 K56 C60 R221 | N17-D58 PolarHBondContact ND2-O 3.36Å; K56-D58 PolarHBondContact O-N 2.89Å; D58-C60 PolarHBondContact O-N 2.9Å; D58-R221 IonicContact OD2-CZ 2.91Å; D58-R221 IonicContact OD2-NH1 2.94Å; D58-R221 PolarHBondContact OD2-NH1 2.76Å |
| 59 | L | 95.1 | Very high | 95 | Very high | 36 Ų | 36 | 49 Ų | 49 | 19% | 0.188 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 118.8 | 177.7 | -170 | 66.4 | 0 | 0 | 0 | 110.1 | N17 K56 K57 | N17-L59 HydrophobicContact CB-CD1 4.01Å; N17-L59 WeakPolarHBondContact ND2-CA 3.37Å; K56-L59 HydrophobicContact CB-CB 4.28Å; K56-L59 HydrophobicContact CB-CD2 4.45Å; K56-L59 WeakPolarHBondContact O-CB 3.24Å; K56-L59 PolarHBondContact O-N 3.44Å; K57-L59 PolarHBondContact O-N 3.41Å |
| 60 | C | 95.2 | Very high | 95 | Very high | 19 Ų | 19 | 53.5 Ų | 53.5 | 13% | 0.128 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 159.6 | 170.3 | 70.5 | 0 | 0 | 0 | 0 | 110.9 | N17 D58 H64 R65 | N17-C60 PolarHBondContact OD1-N 2.91Å; N17-C60 PolarHBondContact OD1-SG 2.97Å; D58-C60 PolarHBondContact O-N 2.9Å; C60-H64 HydrophobicContact CB-CB 4.48Å; C60-R65 WeakPolarHBondContact O-CD 3.38Å; C60-R65 PolarHBondContact O-NE 2.77Å; C60-R65 WeakPolarHBondContact SG-CG 3.32Å |
| 61 | A | 96.8 | Very high | 95.1 | Very high | 46 Ų | 46 | 55 Ų | 55 | 38% | 0.38 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 149.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112 | D52 D63 H64 R65 | D52-A61 WeakPolarHBondContact OD2-CA 3.42Å; A61-D63 PolarHBondContact O-N 2.87Å; A61-D63 VanDerWaalsContact O-N 3.15Å; A61-H64 PolarHBondContact O-N 2.77Å; A61-H64 VanDerWaalsContact O-N 3.08Å; A61-R65 PolarHBondContact O-N 3.11Å |
| 62 | S | 96.9 | Very high | 95.2 | Very high | 17 Ų | 17 | 53.8 Ų | 53.8 | 12% | 0.119 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -55 | -36.5 | -176.3 | 54 | 0 | 0 | 0 | 0 | 112.4 | D52 H64 R65 I66 C86 | D52-S62 VanDerWaalsContact CG-N 3.29Å; D52-S62 WeakPolarHBondContact OD1-CA 3.16Å; D52-S62 WeakPolarHBondContact OD1-CB 3.31Å; D52-S62 PolarHBondContact OD1-N 2.76Å; D52-S62 PolarHBondContact OD2-N 3.25Å; S62-H64 VanDerWaalsContact C-N 3.31Å; S62-H64 PolarHBondContact O-N 2.84Å; S62-R65 PolarHBondContact O-N 3.4Å; S62-I66 WeakPolarHBondContact O-CB 3.37Å; S62-I66 WeakPolarHBondContact O-CG1 3.27Å; S62-I66 PolarHBondContact O-N 3.24Å; S62-C86 VanDerWaalsContact CB-SG 3.59Å |
| 63 | D | 97.8 | Very high | 95.3 | Very high | 121 Ų | 121 | 51 Ų | 51 | 65% | 0.647 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -57.7 | -43.1 | 179.6 | -68.7 | -8.9 | 0 | 0 | 0 | 112.1 | A61 E67 | A61-D63 PolarHBondContact O-N 2.87Å; A61-D63 VanDerWaalsContact O-N 3.15Å; D63-E67 WeakPolarHBondContact O-CB 3.46Å; D63-E67 PolarHBondContact O-N 3.42Å |
| 64 | H | 98.2 | Very high | 95.4 | Very high | 51 Ų | 51 | 51.3 Ų | 51.3 | 24% | 0.236 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 175.2 | -67.6 | -51.5 | 0 | 0 | 0 | 111.5 | C60 A61 S62 E67 M68 Y237 L243 | C60-H64 HydrophobicContact CB-CB 4.48Å; A61-H64 PolarHBondContact O-N 2.77Å; A61-H64 VanDerWaalsContact O-N 3.08Å; S62-H64 VanDerWaalsContact C-N 3.31Å; S62-H64 PolarHBondContact O-N 2.84Å; H64-E67 PolarHBondContact O-N 3.19Å; H64-M68 HydrophobicContact CB-CE 4.21Å; H64-M68 WeakPolarHBondContact O-CB 3.28Å; H64-M68 VanDerWaalsContact O-CE 3.31Å; H64-M68 WeakPolarHBondContact O-CE 3.31Å; H64-M68 VanDerWaalsContact O-CG 3.32Å; H64-M68 WeakPolarHBondContact O-CG 3.28Å; H64-M68 PolarHBondContact O-N 2.96Å; H64-Y237 HydrophobicContact CB-CE1 4.18Å; H64-Y237 AromaticContact ND1-CE1 3.69Å; H64-Y237 AromaticContact ND1-CZ 3.72Å; H64-Y237 PolarHBondContact ND1-OH 3.11Å; H64-L243 HydrophobicContact CB-CD1 3.99Å |
| 65 | R | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.3 | -39.3 | -176.7 | -60.3 | -178.1 | -61.8 | 102.3 | 0.3 | 111.9 | S15 V50 D52 C60 A61 S62 M68 A69 | S15-R65 VanDerWaalsContact O-CD 3.27Å; S15-R65 WeakPolarHBondContact O-CD 3.33Å; S15-R65 PolarHBondContact O-NH1 2.93Å; S15-R65 VanDerWaalsContact O-NH1 3.12Å; V50-R65 PolarHBondContact O-NH1 3.18Å; V50-R65 PolarHBondContact O-NH2 3.06Å; D52-R65 IonicContact OD1-CZ 3.79Å; D52-R65 IonicContact OD1-NE 3.85Å; D52-R65 IonicContact OD1-NH2 3.97Å; D52-R65 PolarHBondContact OD1-NH2 2.6Å; C60-R65 WeakPolarHBondContact O-CD 3.38Å; C60-R65 PolarHBondContact O-NE 2.77Å; C60-R65 WeakPolarHBondContact SG-CG 3.32Å; A61-R65 PolarHBondContact O-N 3.11Å; S62-R65 PolarHBondContact O-N 3.4Å; R65-M68 HydrophobicContact CG-CE 4.21Å; R65-A69 WeakPolarHBondContact O-CB 3.23Å; R65-A69 PolarHBondContact O-N 3.38Å |
| 66 | I | 98 | Very high | 96.4 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 8% | 0.082 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -49 | 172.2 | -72.6 | 165.4 | 0 | 0 | 0 | 109.5 | P49 S62 A69 K70 I81 K83 C86 | P49-I66 HydrophobicContact CG-CG1 4.32Å; S62-I66 WeakPolarHBondContact O-CB 3.37Å; S62-I66 WeakPolarHBondContact O-CG1 3.27Å; S62-I66 PolarHBondContact O-N 3.24Å; I66-A69 PolarHBondContact O-N 3.16Å; I66-K70 WeakPolarHBondContact O-CG 3.28Å; I66-K70 PolarHBondContact O-N 3.15Å; I66-I81 HydrophobicContact CG2-CD1 3.73Å; I66-K83 HydrophobicContact CD1-CB 3.88Å; I66-K83 HydrophobicContact CG1-CB 4.22Å; I66-C86 HydrophobicContact CD1-CB 3.85Å |
| 67 | E | 98.6 | Very high | 96.8 | Very high | 63 Ų | 63 | 51.3 Ų | 51.3 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.5 | -45 | -177.7 | -164.5 | 54.6 | -148.6 | 0 | 0 | 112 | D63 H64 A69 K70 L71 Y237 | D63-E67 WeakPolarHBondContact O-CB 3.46Å; D63-E67 PolarHBondContact O-N 3.42Å; H64-E67 PolarHBondContact O-N 3.19Å; E67-A69 VanDerWaalsContact C-N 3.27Å; E67-A69 PolarHBondContact O-N 3.07Å; E67-K70 PolarHBondContact O-N 2.93Å; E67-K70 IonicContact OE2-NZ 3.96Å; E67-K70 PolarHBondContact OE2-NZ 3.39Å; E67-L71 HydrophobicContact CG-CD1 4.34Å; E67-L71 VanDerWaalsContact O-CG 3.28Å; E67-L71 WeakPolarHBondContact O-CG 3.49Å; E67-L71 PolarHBondContact O-N 2.81Å; E67-Y237 HydrophobicContact CB-CE2 3.9Å; E67-Y237 HydrophobicContact CG-CD2 3.98Å; E67-Y237 HydrophobicContact CG-CE2 3.4Å; E67-Y237 VanDerWaalsContact CG-CE2 3.4Å |
| 68 | M | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.8 | -38.6 | 171.8 | -71.7 | -177.2 | -69.7 | 0 | 0 | 111.9 | P18 P19 H64 R65 L71 A72 V234 Y237 I238 L243 Y244 | P18-M68 HydrophobicContact CB-CE 4.45Å; P18-M68 HydrophobicContact CB-SD 3.77Å; P19-M68 HydrophobicContact CG-CB 3.86Å; P19-M68 WeakPolarHBondContact CG-O 3.4Å; H64-M68 HydrophobicContact CB-CE 4.21Å; H64-M68 WeakPolarHBondContact O-CB 3.28Å; H64-M68 VanDerWaalsContact O-CE 3.31Å; H64-M68 WeakPolarHBondContact O-CE 3.31Å; H64-M68 VanDerWaalsContact O-CG 3.32Å; H64-M68 WeakPolarHBondContact O-CG 3.28Å; H64-M68 PolarHBondContact O-N 2.96Å; R65-M68 HydrophobicContact CG-CE 4.21Å; M68-L71 PolarHBondContact O-N 2.84Å; M68-A72 WeakPolarHBondContact O-CB 3.39Å; M68-A72 PolarHBondContact O-N 2.61Å; M68-V234 HydrophobicContact CB-CG1 4.28Å; M68-V234 HydrophobicContact CB-CG2 4.33Å; M68-V234 HydrophobicContact CG-CG1 4.19Å; M68-V234 WeakPolarHBondContact O-CG2 3.21Å; M68-V234 HydrophobicContact SD-CG1 4.29Å; M68-Y237 HydrophobicContact CG-CD1 3.51Å; M68-Y237 HydrophobicContact CG-CE1 3.97Å; M68-Y237 HydrophobicContact CG-CG 4.28Å; M68-Y237 HydrophobicContact SD-CD1 4.3Å; M68-I238 HydrophobicContact SD-CD1 4.13Å; M68-I238 HydrophobicContact SD-CG1 3.69Å; M68-L243 HydrophobicContact CE-CD1 4.05Å; M68-L243 HydrophobicContact SD-CD1 4.06Å; M68-Y244 VanDerWaalsContact CE-OH 3.26Å; M68-Y244 WeakPolarHBondContact CE-OH 3.46Å; M68-Y244 HydrophobicContact SD-CE2 4.35Å |
| 69 | A | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.2 | -42.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | L47 P49 R65 I66 E67 L71 A72 T73 I81 | L47-A69 HydrophobicContact CD1-CB 4.24Å; P49-A69 HydrophobicContact CG-CB 4.35Å; R65-A69 WeakPolarHBondContact O-CB 3.23Å; R65-A69 PolarHBondContact O-N 3.38Å; I66-A69 PolarHBondContact O-N 3.16Å; E67-A69 VanDerWaalsContact C-N 3.27Å; E67-A69 PolarHBondContact O-N 3.07Å; A69-L71 VanDerWaalsContact C-N 3.35Å; A69-L71 PolarHBondContact O-N 3.31Å; A69-A72 PolarHBondContact O-N 2.94Å; A69-T73 WeakPolarHBondContact O-CG2 3.32Å; A69-T73 PolarHBondContact O-N 3.32Å; A69-T73 PolarHBondContact O-OG1 2.85Å; A69-T73 VanDerWaalsContact O-OG1 3.14Å; A69-I81 HydrophobicContact CB-CG2 3.71Å |
| 70 | K | 98.2 | Very high | 97.8 | Very high | 94 Ų | 94 | 40.1 Ų | 40.1 | 41% | 0.409 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.1 | -50 | 173.1 | -69.1 | 178.5 | -162.8 | 155.3 | 0 | 110.9 | I66 E67 A72 T73 S74 I81 | I66-K70 WeakPolarHBondContact O-CG 3.28Å; I66-K70 PolarHBondContact O-N 3.15Å; E67-K70 PolarHBondContact O-N 2.93Å; E67-K70 IonicContact OE2-NZ 3.96Å; E67-K70 PolarHBondContact OE2-NZ 3.39Å; K70-A72 VanDerWaalsContact C-N 3.33Å; K70-A72 PolarHBondContact O-N 2.91Å; K70-T73 CarbonylContact O-C 3.39Å; K70-T73 PolarHBondContact O-N 2.74Å; K70-T73 VanDerWaalsContact O-N 3.15Å; K70-T73 PolarHBondContact O-OG1 3.02Å; K70-S74 PolarHBondContact O-N 3.25Å; K70-I81 HydrophobicContact CD-CD1 4.22Å; K70-I81 HydrophobicContact CG-CD1 3.39Å; K70-I81 HydrophobicContact CG-CG1 3.82Å |
| 71 | L | 98.7 | Very high | 97.9 | Very high | 41 Ų | 41 | 40.4 Ų | 40.4 | 22% | 0.215 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 179.4 | -66.5 | 168.1 | 0 | 0 | 0 | 111.7 | E67 M68 A69 T73 S74 A233 V234 Y237 | E67-L71 HydrophobicContact CG-CD1 4.34Å; E67-L71 VanDerWaalsContact O-CG 3.28Å; E67-L71 WeakPolarHBondContact O-CG 3.49Å; E67-L71 PolarHBondContact O-N 2.81Å; M68-L71 PolarHBondContact O-N 2.84Å; A69-L71 VanDerWaalsContact C-N 3.35Å; A69-L71 PolarHBondContact O-N 3.31Å; L71-T73 VanDerWaalsContact C-N 3.33Å; L71-T73 PolarHBondContact O-N 3.06Å; L71-S74 WeakPolarHBondContact O-CB 3.42Å; L71-S74 PolarHBondContact O-N 3.26Å; L71-S74 PolarHBondContact O-OG 2.69Å; L71-A233 HydrophobicContact CB-CB 4.02Å; L71-A233 HydrophobicContact CD2-CB 4.09Å; L71-V234 HydrophobicContact CB-CG2 3.92Å; L71-Y237 HydrophobicContact CD1-CD2 3.79Å; L71-Y237 HydrophobicContact CD1-CG 3.9Å |
| 72 | A | 98.6 | Very high | 97.8 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | P19 L24 M68 A69 K70 V234 | P19-A72 HydrophobicContact CB-CB 3.92Å; P19-A72 HydrophobicContact CG-CB 3.83Å; L24-A72 WeakPolarHBondContact CD1-O 3.5Å; M68-A72 WeakPolarHBondContact O-CB 3.39Å; M68-A72 PolarHBondContact O-N 2.61Å; A69-A72 PolarHBondContact O-N 2.94Å; K70-A72 VanDerWaalsContact C-N 3.33Å; K70-A72 PolarHBondContact O-N 2.91Å; A72-V234 HydrophobicContact CB-CG2 3.95Å |
| 73 | T | 98.2 | Very high | 97.7 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -86.8 | -1.9 | -177.7 | 62.4 | 0 | 0 | 0 | 0 | 114.6 | L24 L47 A69 K70 L71 S75 S76 I79 I81 K118 | L24-T73 HydrophobicContact CD2-CG2 3.99Å; L47-T73 HydrophobicContact CD1-CG2 3.54Å; L47-T73 HydrophobicContact CG-CG2 4.06Å; A69-T73 WeakPolarHBondContact O-CG2 3.32Å; A69-T73 PolarHBondContact O-N 3.32Å; A69-T73 PolarHBondContact O-OG1 2.85Å; A69-T73 VanDerWaalsContact O-OG1 3.14Å; K70-T73 CarbonylContact O-C 3.39Å; K70-T73 PolarHBondContact O-N 2.74Å; K70-T73 VanDerWaalsContact O-N 3.15Å; K70-T73 PolarHBondContact O-OG1 3.02Å; L71-T73 VanDerWaalsContact C-N 3.33Å; L71-T73 PolarHBondContact O-N 3.06Å; T73-S75 VanDerWaalsContact C-N 3.27Å; T73-S75 PolarHBondContact O-N 3.15Å; T73-S76 PolarHBondContact O-N 3.01Å; T73-S76 VanDerWaalsContact O-N 3.13Å; T73-I79 WeakPolarHBondContact CB-O 3.42Å; T73-I79 HydrophobicContact CG2-CB 4.37Å; T73-I79 HydrophobicContact CG2-CG2 3.67Å; T73-I81 HydrophobicContact CG2-CG2 4.29Å; T73-K118 PolarHBondContact O-NZ 3.42Å |
| 74 | S | 97.5 | Very high | 97.6 | Very high | 76 Ų | 76 | 39.7 Ų | 39.7 | 53% | 0.531 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -33.6 | -171.4 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | K70 L71 | K70-S74 PolarHBondContact O-N 3.25Å; L71-S74 WeakPolarHBondContact O-CB 3.42Å; L71-S74 PolarHBondContact O-N 3.26Å; L71-S74 PolarHBondContact O-OG 2.69Å |
| 75 | S | 95.9 | Very high | 97.5 | Very high | 102 Ų | 102 | 37.4 Ų | 37.4 | 71% | 0.713 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -6.4 | 179.7 | 58.9 | 0 | 0 | 0 | 0 | 115.1 | T73 | T73-S75 VanDerWaalsContact C-N 3.27Å; T73-S75 PolarHBondContact O-N 3.15Å |
| 76 | S | 98 | Very high | 97.3 | Very high | 15 Ų | 15 | 38.1 Ų | 38.1 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | trans | -94 | 138.5 | 176.7 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | T73 W78 I79 K118 | T73-S76 PolarHBondContact O-N 3.01Å; T73-S76 VanDerWaalsContact O-N 3.13Å; S76-W78 VanDerWaalsContact C-N 3.33Å; S76-W78 PolarHBondContact OG-N 3.42Å; S76-W78 PolarHBondContact OG-NE1 2.87Å; S76-I79 WeakPolarHBondContact OG-CB 3.48Å; S76-I79 VanDerWaalsContact OG-CG1 3.31Å; S76-I79 WeakPolarHBondContact OG-CG1 3.4Å; S76-I79 PolarHBondContact OG-N 2.87Å; S76-I79 VanDerWaalsContact OG-N 3.07Å; S76-K118 WeakPolarHBondContact O-CD 2.96Å; S76-K118 PolarHBondContact O-NZ 2.94Å | ||
| 77 | D | 96.9 | Very high | 97.1 | Very high | 142 Ų | 142 | 41 Ų | 41 | 76% | 0.759 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -84.3 | -8.8 | 178.4 | -65.5 | -35.4 | 0 | 0 | 0 | 114 | ||
| 78 | W | 98.2 | Very high | 96.8 | Very high | 26 Ų | 26 | 40.8 Ų | 40.8 | 10% | 0.098 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -131.4 | -16.5 | -169.1 | 72.8 | -79 | 0 | 0 | 0 | 114.2 | L10 F27 E28 R31 V42 G45 S76 | L10-W78 HydrophobicContact CD1-CH2 4.35Å; L10-W78 HydrophobicContact CD1-CZ3 4.48Å; F27-W78 HydrophobicContact CB-CH2 3.57Å; F27-W78 HydrophobicContact CB-CZ2 3.7Å; F27-W78 AromaticContact CD1-CH2 3.9Å; F27-W78 HydrophobicContact CD1-CH2 3.9Å; F27-W78 HydrophobicContact CD1-CZ3 4.15Å; F27-W78 HydrophobicContact CG-CH2 4.2Å; F27-W78 WeakPolarHBondContact O-CH2 3.34Å; E28-W78 PolarHBondContact OE1-NE1 3.09Å; R31-W78 HydrophobicContact CB-CH2 3.68Å; R31-W78 HydrophobicContact CB-CZ2 3.97Å; R31-W78 HydrophobicContact CB-CZ3 4.39Å; R31-W78 HydrophobicContact CG-CH2 4.37Å; V42-W78 HydrophobicContact CG1-CE3 4.09Å; V42-W78 HydrophobicContact CG1-CH2 4.2Å; V42-W78 HydrophobicContact CG1-CZ3 3.48Å; V42-W78 VanDerWaalsContact CG1-CZ3 3.48Å; G45-W78 PolarHBondContact N-O 2.57Å; S76-W78 VanDerWaalsContact C-N 3.33Å; S76-W78 PolarHBondContact OG-N 3.42Å; S76-W78 PolarHBondContact OG-NE1 2.87Å |
| 79 | I | 98.6 | Very high | 96.5 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 123.2 | 175.3 | -51.9 | 166.3 | 0 | 0 | 0 | 109.2 | L24 F27 G45 T73 S76 K118 | L24-I79 HydrophobicContact CD2-CD1 4.46Å; F27-I79 HydrophobicContact CB-CD1 3.49Å; F27-I79 VanDerWaalsContact CB-CD1 3.49Å; F27-I79 HydrophobicContact CB-CG1 4.09Å; F27-I79 HydrophobicContact CD1-CG1 4.39Å; F27-I79 HydrophobicContact CD2-CD1 4.26Å; F27-I79 HydrophobicContact CD2-CG2 4.38Å; F27-I79 HydrophobicContact CE2-CG2 4.49Å; F27-I79 HydrophobicContact CG-CD1 3.89Å; F27-I79 HydrophobicContact CG-CG1 4.15Å; F27-I79 HydrophobicContact CG-CG2 4.47Å; G45-I79 CarbonylContact O-C 3.59Å; G45-I79 WeakPolarHBondContact O-CA 3.44Å; T73-I79 WeakPolarHBondContact CB-O 3.42Å; T73-I79 HydrophobicContact CG2-CB 4.37Å; T73-I79 HydrophobicContact CG2-CG2 3.67Å; S76-I79 WeakPolarHBondContact OG-CB 3.48Å; S76-I79 VanDerWaalsContact OG-CG1 3.31Å; S76-I79 WeakPolarHBondContact OG-CG1 3.4Å; S76-I79 PolarHBondContact OG-N 2.87Å; S76-I79 VanDerWaalsContact OG-N 3.07Å; I79-K118 WeakPolarHBondContact O-CD 3.3Å; I79-K118 WeakPolarHBondContact O-CE 3.39Å; I79-K118 PolarHBondContact O-NZ 2.86Å |
| 80 | G | 97.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 4% | 0.041 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | -168.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | G45 L47 | G45-G80 PolarHBondContact O-N 3.31Å; L47-G80 PolarHBondContact N-O 2.97Å |
| 81 | I | 97.2 | Very high | 96.1 | Very high | 26 Ų | 26 | 50.1 Ų | 50.1 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 152.2 | 173.1 | 69.5 | 147.4 | 0 | 0 | 0 | 110 | L47 I66 A69 K70 T73 | L47-I81 HydrophobicContact CB-CG2 4.26Å; L47-I81 CarbonylContact O-C 3.52Å; L47-I81 WeakPolarHBondContact O-CA 3.3Å; I66-I81 HydrophobicContact CG2-CD1 3.73Å; A69-I81 HydrophobicContact CB-CG2 3.71Å; K70-I81 HydrophobicContact CD-CD1 4.22Å; K70-I81 HydrophobicContact CG-CD1 3.39Å; K70-I81 HydrophobicContact CG-CG1 3.82Å; T73-I81 HydrophobicContact CG2-CG2 4.29Å |
| 82 | D | 96.1 | Very high | 95.9 | Very high | 10 Ų | 10 | 48.5 Ų | 48.5 | 5% | 0.053 | 28% | 0.282 | C | S | . | . | trans | -127.2 | 120.4 | 165.1 | 178.2 | 16.9 | 0 | 0 | 0 | 109.4 | V46 L47 P49 W84 H100 | V46-D82 HydrophobicContact CG1-CB 3.48Å; V46-D82 VanDerWaalsContact CG1-CB 3.48Å; L47-D82 PolarHBondContact O-N 3.33Å; P49-D82 WeakPolarHBondContact CD-O 3.39Å; D82-W84 VanDerWaalsContact C-N 3.33Å; D82-W84 VanDerWaalsContact OD1-CB 3.3Å; D82-W84 WeakPolarHBondContact OD1-CB 3.35Å; D82-W84 PolarHBondContact OD1-N 3.36Å; D82-H100 IonicContact OD1-NE2 3.4Å; D82-H100 IonicContact OD2-CD2 2.69Å; D82-H100 PolarHBondContact OD2-CD2 3.13Å; D82-H100 IonicContact OD2-NE2 3.54Å; D82-H100 PolarHBondContact OD2-NE2 2.94Å | ||
| 83 | K | 94.7 | Very high | 95.7 | Very high | 125 Ų | 125 | 52.7 Ų | 52.7 | 54% | 0.543 | 30% | 0.297 | S | S | . | . | trans | -89.8 | 3.9 | -178 | 65.4 | 178.4 | -179.1 | 177.4 | 0 | 113 | I66 E85 C86 A87 | I66-K83 HydrophobicContact CD1-CB 3.88Å; I66-K83 HydrophobicContact CG1-CB 4.22Å; K83-E85 VanDerWaalsContact C-N 3.33Å; K83-E85 PolarHBondContact O-N 3.24Å; K83-C86 WeakPolarHBondContact O-CB 3.26Å; K83-C86 PolarHBondContact O-N 3.41Å; K83-C86 VanDerWaalsContact O-N 3.08Å; K83-A87 PolarHBondContact O-N 2.98Å | ||
| 84 | W | 95.2 | Very high | 95.7 | Very high | 34 Ų | 34 | 53.5 Ų | 53.5 | 13% | 0.129 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -46.5 | -174.7 | 177.7 | 83.1 | 0 | 0 | 0 | 113.3 | D82 C86 A87 Q88 Q96 V97 H100 | D82-W84 VanDerWaalsContact C-N 3.33Å; D82-W84 VanDerWaalsContact OD1-CB 3.3Å; D82-W84 WeakPolarHBondContact OD1-CB 3.35Å; D82-W84 PolarHBondContact OD1-N 3.36Å; W84-C86 VanDerWaalsContact C-N 3.33Å; W84-C86 PolarHBondContact O-N 2.99Å; W84-A87 PolarHBondContact O-N 2.87Å; W84-Q88 HydrophobicContact CD2-CG 4.46Å; W84-Q88 VanDerWaalsContact CE2-NE2 3.32Å; W84-Q88 HydrophobicContact CE3-CG 4.48Å; W84-Q88 HydrophobicContact CH2-CG 4.23Å; W84-Q88 HydrophobicContact CZ2-CG 4.22Å; W84-Q88 HydrophobicContact CZ3-CG 4.37Å; W84-Q88 WeakPolarHBondContact O-CG 3.45Å; W84-Q88 PolarHBondContact O-N 2.94Å; W84-Q88 PolarHBondContact O-NE2 2.84Å; W84-Q96 HydrophobicContact CH2-CB 4.12Å; W84-Q96 HydrophobicContact CZ3-CB 4.42Å; W84-V97 HydrophobicContact CE3-CG2 4.37Å; W84-V97 HydrophobicContact CZ3-CB 4.45Å; W84-V97 HydrophobicContact CZ3-CG2 4.01Å; W84-H100 WeakPolarHBondContact CB-NE2 3.32Å; W84-H100 AromaticContact CD1-CD2 3.92Å; W84-H100 AromaticContact CD1-CE1 3.33Å; W84-H100 AromaticContact CD1-CG 3.9Å; W84-H100 AromaticContact CD1-ND1 3.54Å; W84-H100 AromaticContact CD1-NE2 3.57Å; W84-H100 HydrophobicContact CD2-CB 3.95Å; W84-H100 AromaticContact CD2-CD2 3.72Å; W84-H100 AromaticContact CD2-CG 3.59Å; W84-H100 AromaticContact CD2-ND1 3.98Å; W84-H100 AromaticContact CE2-CG 3.84Å; W84-H100 AromaticContact CE2-ND1 3.88Å; W84-H100 HydrophobicContact CE3-CB 4Å; W84-H100 AromaticContact CG-CD2 3.43Å; W84-H100 VanDerWaalsContact CG-CD2 3.43Å; W84-H100 AromaticContact CG-CE1 3.64Å; W84-H100 AromaticContact CG-CG 3.67Å; W84-H100 AromaticContact CG-ND1 3.8Å; W84-H100 AromaticContact CG-NE2 3.41Å; W84-H100 HydrophobicContact CH2-CB 4.38Å; W84-H100 HydrophobicContact CZ2-CB 4.31Å; W84-H100 HydrophobicContact CZ3-CB 4.22Å; W84-H100 AromaticContact NE1-CE1 3.83Å; W84-H100 AromaticContact NE1-CG 3.98Å; W84-H100 AromaticContact NE1-ND1 3.58Å |
| 85 | E | 95.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 50 Ų | 50 | 1% | 0.014 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -60.8 | -41.9 | 179.5 | -172 | -175.4 | 151.1 | 0 | 0 | 111.9 | V50 H51 K83 A87 Q88 V97 | V50-E85 VanDerWaalsContact CA-CD 3.43Å; V50-E85 WeakPolarHBondContact CA-OE1 3.45Å; V50-E85 WeakPolarHBondContact CB-OE1 3.36Å; H51-E85 HydrophobicContact CB-CG 4.36Å; H51-E85 PolarHBondContact N-OE1 2.78Å; K83-E85 VanDerWaalsContact C-N 3.33Å; K83-E85 PolarHBondContact O-N 3.24Å; E85-A87 PolarHBondContact O-N 2.88Å; E85-Q88 WeakPolarHBondContact O-CB 3.43Å; E85-Q88 PolarHBondContact O-N 2.97Å; E85-Q88 VanDerWaalsContact O-N 3.16Å; E85-V97 HydrophobicContact CB-CG2 4.33Å; E85-V97 HydrophobicContact CG-CG2 4.43Å |
| 86 | C | 94.9 | Very high | 95.6 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 10% | 0.095 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -65.2 | -23.4 | 177 | -72.1 | 0 | 0 | 0 | 0 | 113.4 | P49 V50 S62 I66 K83 W84 | P49-C86 PolarHBondContact O-SG 2.73Å; V50-C86 PolarHBondContact O-SG 3.27Å; V50-C86 VanDerWaalsContact O-SG 3.36Å; S62-C86 VanDerWaalsContact CB-SG 3.59Å; I66-C86 HydrophobicContact CD1-CB 3.85Å; K83-C86 WeakPolarHBondContact O-CB 3.26Å; K83-C86 PolarHBondContact O-N 3.41Å; K83-C86 VanDerWaalsContact O-N 3.08Å; W84-C86 VanDerWaalsContact C-N 3.33Å; W84-C86 PolarHBondContact O-N 2.99Å |
| 87 | A | 92.8 | Very high | 95.5 | Very high | 77 Ų | 77 | 47.5 Ų | 47.5 | 64% | 0.636 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -86.2 | -6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K83 W84 E85 | K83-A87 PolarHBondContact O-N 2.98Å; W84-A87 PolarHBondContact O-N 2.87Å; E85-A87 PolarHBondContact O-N 2.88Å |
| 88 | Q | 93.3 | Very high | 95.5 | Very high | 59 Ų | 59 | 40.7 Ų | 40.7 | 28% | 0.276 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -73.9 | 160.5 | 177 | -56.6 | -46.5 | -68.5 | 0 | 0 | 111 | H51 W84 E85 S90 S92 | H51-Q88 PolarHBondContact CD2-O 3.13Å; H51-Q88 PolarHBondContact NE2-O 2.91Å; W84-Q88 HydrophobicContact CD2-CG 4.46Å; W84-Q88 VanDerWaalsContact CE2-NE2 3.32Å; W84-Q88 HydrophobicContact CE3-CG 4.48Å; W84-Q88 HydrophobicContact CH2-CG 4.23Å; W84-Q88 HydrophobicContact CZ2-CG 4.22Å; W84-Q88 HydrophobicContact CZ3-CG 4.37Å; W84-Q88 WeakPolarHBondContact O-CG 3.45Å; W84-Q88 PolarHBondContact O-N 2.94Å; W84-Q88 PolarHBondContact O-NE2 2.84Å; E85-Q88 WeakPolarHBondContact O-CB 3.43Å; E85-Q88 PolarHBondContact O-N 2.97Å; E85-Q88 VanDerWaalsContact O-N 3.16Å; Q88-S90 WeakPolarHBondContact CB-O 3.44Å; Q88-S90 PolarHBondContact O-N 3Å; Q88-S92 WeakPolarHBondContact CG-OG 3.38Å |
| 89 | S | 92.5 | Very high | 95.3 | Very high | 122 Ų | 122 | 44.5 Ų | 44.5 | 85% | 0.853 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -65.5 | -22.2 | 176.6 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 90 | S | 93.8 | Very high | 95.1 | Very high | 59 Ų | 59 | 44.6 Ų | 44.6 | 41% | 0.413 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -155.9 | 170.9 | -178.7 | 64.8 | 0 | 0 | 0 | 0 | 110.3 | Q88 S92 | Q88-S90 WeakPolarHBondContact CB-O 3.44Å; Q88-S90 PolarHBondContact O-N 3Å; S90-S92 PolarHBondContact O-N 3.44Å |
| 91 | W | 92.9 | Very high | 94.9 | Very high | 109 Ų | 109 | 44.4 Ų | 44.4 | 41% | 0.413 | 23% | 0.229 | S | C | . | . | trans | -46.8 | 138.3 | 167.6 | 172.9 | 70 | 0 | 0 | 0 | 112.1 | H51 S53 Y54 R93 | H51-W91 HydrophobicContact CB-CB 4.42Å; H51-W91 PolarHBondContact ND1-N 3.37Å; S53-W91 PolarHBondContact OG-N 3.07Å; Y54-W91 AromaticContact CD2-CD1 3.45Å; Y54-W91 VanDerWaalsContact CD2-CD1 3.45Å; Y54-W91 HydrophobicContact CD2-CG 4.09Å; Y54-W91 AromaticContact CD2-NE1 3.45Å; Y54-W91 AromaticContact CE2-NE1 3.82Å; W91-R93 HydrophobicContact CH2-CG 3.79Å; W91-R93 HydrophobicContact CZ3-CG 3.99Å | ||
| 92 | S | 94.7 | Very high | 94.8 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 5% | 0.049 | 23% | 0.225 | C | C | . | . | trans | -114.7 | 145.6 | -178.9 | -60 | 0 | 0 | 0 | 0 | 110.3 | Q88 S90 | Q88-S92 WeakPolarHBondContact CG-OG 3.38Å; S90-S92 PolarHBondContact O-N 3.44Å | ||
| 93 | R | 95.8 | Very high | 94.5 | Very high | 90 Ų | 90 | 47.1 Ų | 47.1 | 34% | 0.34 | 24% | 0.238 | S | C | . | . | trans | -69 | 145.4 | 175.8 | -63.4 | -178.6 | -65.7 | 148.1 | -0.2 | 109.4 | W91 V95 Q96 D163 | W91-R93 HydrophobicContact CH2-CG 3.79Å; W91-R93 HydrophobicContact CZ3-CG 3.99Å; R93-V95 HydrophobicContact CB-CG1 4.37Å; R93-V95 PolarHBondContact O-N 3.1Å; R93-V95 VanDerWaalsContact O-N 3.09Å; R93-Q96 HydrophobicContact CB-CG 4.44Å; R93-Q96 VanDerWaalsContact N-OE1 3.16Å; R93-Q96 VanDerWaalsContact O-CB 3.32Å; R93-Q96 WeakPolarHBondContact O-CB 3.26Å; R93-Q96 PolarHBondContact O-N 2.99Å; R93-D163 WeakPolarHBondContact CD-OD2 3.18Å; R93-D163 IonicContact CZ-OD1 3.93Å; R93-D163 IonicContact CZ-OD2 2.93Å; R93-D163 IonicContact NE-OD2 3.29Å; R93-D163 IonicContact NH1-OD1 2.82Å; R93-D163 PolarHBondContact NH1-OD1 3.05Å; R93-D163 IonicContact NH1-OD2 2.75Å; R93-D163 PolarHBondContact NH1-OD2 2.99Å; R93-D163 IonicContact NH2-OD1 3.08Å | ||
| 94 | T | 97 | Very high | 94.4 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 14% | 0.141 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -52.1 | -38.1 | -178.3 | -56.7 | 0 | 0 | 0 | 0 | 113.1 | Q96 V97 L98 L143 | T94-Q96 PolarHBondContact O-N 2.64Å; T94-V97 WeakPolarHBondContact O-CB 3.12Å; T94-V97 PolarHBondContact O-N 3.36Å; T94-V97 VanDerWaalsContact O-N 3.13Å; T94-L98 HydrophobicContact CG2-CD1 4.27Å; T94-L98 PolarHBondContact O-N 3.46Å; T94-L143 HydrophobicContact CG2-CD1 3.93Å; T94-L143 HydrophobicContact CG2-CD2 3.94Å |
| 95 | V | 96.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -31.7 | 176.9 | 78 | 0 | 0 | 0 | 0 | 113 | R93 L98 R99 D163 E166 I167 F171 | R93-V95 HydrophobicContact CB-CG1 4.37Å; R93-V95 PolarHBondContact O-N 3.1Å; R93-V95 VanDerWaalsContact O-N 3.09Å; V95-L98 PolarHBondContact O-N 3.31Å; V95-R99 WeakPolarHBondContact O-CB 3.22Å; V95-R99 VanDerWaalsContact O-CG 3.27Å; V95-R99 WeakPolarHBondContact O-CG 3.38Å; V95-R99 PolarHBondContact O-N 3.41Å; V95-D163 HydrophobicContact CB-CB 4.26Å; V95-D163 HydrophobicContact CG1-CB 4.21Å; V95-D163 VanDerWaalsContact CG1-OD1 3.25Å; V95-D163 WeakPolarHBondContact CG1-OD1 3.44Å; V95-E166 HydrophobicContact CG2-CB 4.1Å; V95-E166 VanDerWaalsContact CG2-CD 3.47Å; V95-E166 HydrophobicContact CG2-CG 4.02Å; V95-E166 VanDerWaalsContact CG2-OE2 3.29Å; V95-E166 WeakPolarHBondContact CG2-OE2 3.4Å; V95-I167 HydrophobicContact CB-CG1 4.37Å; V95-I167 HydrophobicContact CG2-CG1 4.36Å; V95-F171 HydrophobicContact CG2-CE2 3.98Å |
| 96 | Q | 95.3 | Very high | 94.2 | Very high | 65 Ų | 65 | 40.9 Ų | 40.9 | 30% | 0.304 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -71.3 | -36.7 | 178.6 | -63.6 | 174 | -30 | 0 | 0 | 111 | W84 R93 T94 H100 | W84-Q96 HydrophobicContact CH2-CB 4.12Å; W84-Q96 HydrophobicContact CZ3-CB 4.42Å; R93-Q96 HydrophobicContact CB-CG 4.44Å; R93-Q96 VanDerWaalsContact N-OE1 3.16Å; R93-Q96 VanDerWaalsContact O-CB 3.32Å; R93-Q96 WeakPolarHBondContact O-CB 3.26Å; R93-Q96 PolarHBondContact O-N 2.99Å; T94-Q96 PolarHBondContact O-N 2.64Å; Q96-H100 WeakPolarHBondContact O-CB 3.47Å; Q96-H100 PolarHBondContact O-N 3.29Å |
| 97 | V | 96 | Very high | 94 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.7 | -42.4 | 174 | -170.4 | 0 | 0 | 0 | 0 | 110.4 | L11 S48 W84 E85 T94 H100 L101 | L11-V97 HydrophobicContact CD1-CG1 4.04Å; L11-V97 HydrophobicContact CD2-CB 4.15Å; L11-V97 HydrophobicContact CD2-CG1 3.75Å; S48-V97 WeakPolarHBondContact OG-CG1 3.46Å; W84-V97 HydrophobicContact CE3-CG2 4.37Å; W84-V97 HydrophobicContact CZ3-CB 4.45Å; W84-V97 HydrophobicContact CZ3-CG2 4.01Å; E85-V97 HydrophobicContact CB-CG2 4.33Å; E85-V97 HydrophobicContact CG-CG2 4.43Å; T94-V97 WeakPolarHBondContact O-CB 3.12Å; T94-V97 PolarHBondContact O-N 3.36Å; T94-V97 VanDerWaalsContact O-N 3.13Å; V97-H100 WeakPolarHBondContact O-CB 3.5Å; V97-H100 PolarHBondContact O-N 3.46Å; V97-L101 PolarHBondContact O-N 3.49Å |
| 98 | L | 96.4 | Very high | 94 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 174.6 | -74.6 | 164.8 | 0 | 0 | 0 | 112.3 | L11 T94 V95 H100 L101 S102 V141 L143 I167 F171 | L11-L98 HydrophobicContact CB-CD2 4.22Å; L11-L98 HydrophobicContact CD2-CD2 3.54Å; L11-L98 HydrophobicContact CD2-CG 3.76Å; L11-L98 HydrophobicContact CG-CD2 4.48Å; T94-L98 HydrophobicContact CG2-CD1 4.27Å; T94-L98 PolarHBondContact O-N 3.46Å; V95-L98 PolarHBondContact O-N 3.31Å; L98-H100 VanDerWaalsContact C-N 3.32Å; L98-H100 PolarHBondContact O-N 3.44Å; L98-L101 PolarHBondContact O-N 3.44Å; L98-S102 VanDerWaalsContact O-CB 3.28Å; L98-S102 WeakPolarHBondContact O-CB 3.42Å; L98-S102 PolarHBondContact O-N 3.42Å; L98-V141 HydrophobicContact CD2-CG1 3.72Å; L98-L143 HydrophobicContact CD1-CB 4.42Å; L98-L143 HydrophobicContact CD2-CB 4.32Å; L98-I167 HydrophobicContact CD1-CD1 4.46Å; L98-I167 HydrophobicContact CD1-CG1 3.71Å; L98-I167 HydrophobicContact CD1-CG2 4.44Å; L98-F171 HydrophobicContact CB-CD1 3.93Å; L98-F171 HydrophobicContact CB-CD2 3.85Å; L98-F171 HydrophobicContact CB-CE1 3.89Å; L98-F171 HydrophobicContact CB-CE2 3.77Å; L98-F171 HydrophobicContact CB-CG 3.92Å; L98-F171 HydrophobicContact CB-CZ 3.81Å; L98-F171 HydrophobicContact CD1-CB 4.21Å; L98-F171 HydrophobicContact CD1-CD2 3.83Å; L98-F171 HydrophobicContact CD1-CE2 4.43Å; L98-F171 HydrophobicContact CD1-CG 4.03Å; L98-F171 HydrophobicContact CD2-CB 4.28Å; L98-F171 HydrophobicContact CD2-CD1 4.39Å; L98-F171 HydrophobicContact CD2-CG 4.23Å; L98-F171 HydrophobicContact CG-CD2 4.36Å; L98-F171 HydrophobicContact CG-CG 4.29Å |
| 99 | R | 94.3 | Very high | 94 | Very high | 105 Ų | 105 | 37 Ų | 37 | 40% | 0.396 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.2 | -39.5 | 174.9 | -72.4 | 170.4 | -179.6 | 174.7 | -2 | 112.4 | V95 R103 E166 F171 | V95-R99 WeakPolarHBondContact O-CB 3.22Å; V95-R99 VanDerWaalsContact O-CG 3.27Å; V95-R99 WeakPolarHBondContact O-CG 3.38Å; V95-R99 PolarHBondContact O-N 3.41Å; R99-R103 WeakPolarHBondContact O-CG 3.45Å; R99-R103 PolarHBondContact O-N 2.9Å; R99-R103 PolarHBondContact O-NE 2.94Å; R99-E166 IonicContact CZ-OE1 3.29Å; R99-E166 IonicContact CZ-OE2 3.47Å; R99-E166 VanDerWaalsContact CZ-OE2 3.27Å; R99-E166 IonicContact NE-OE1 4Å; R99-E166 PolarHBondContact NE-OE1 3.06Å; R99-E166 IonicContact NE-OE2 3.43Å; R99-E166 PolarHBondContact NE-OE2 3.31Å; R99-E166 IonicContact NH2-OE1 3.11Å; R99-E166 PolarHBondContact NH2-OE1 3.38Å; R99-E166 IonicContact NH2-OE2 3.24Å; R99-E166 PolarHBondContact NH2-OE2 2.67Å; R99-F171 HydrophobicContact CB-CZ 4.41Å; R99-F171 HydrophobicContact CG-CE2 4.25Å; R99-F171 HydrophobicContact CG-CZ 3.71Å |
| 100 | H | 93.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.019 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.8 | -55.4 | 174.6 | 173.5 | 67.4 | 0 | 0 | 0 | 110.4 | D82 W84 Q96 V97 L98 S102 R103 L104 | D82-H100 IonicContact OD1-NE2 3.4Å; D82-H100 IonicContact OD2-CD2 2.69Å; D82-H100 PolarHBondContact OD2-CD2 3.13Å; D82-H100 IonicContact OD2-NE2 3.54Å; D82-H100 PolarHBondContact OD2-NE2 2.94Å; W84-H100 WeakPolarHBondContact CB-NE2 3.32Å; W84-H100 AromaticContact CD1-CD2 3.92Å; W84-H100 AromaticContact CD1-CE1 3.33Å; W84-H100 AromaticContact CD1-CG 3.9Å; W84-H100 AromaticContact CD1-ND1 3.54Å; W84-H100 AromaticContact CD1-NE2 3.57Å; W84-H100 HydrophobicContact CD2-CB 3.95Å; W84-H100 AromaticContact CD2-CD2 3.72Å; W84-H100 AromaticContact CD2-CG 3.59Å; W84-H100 AromaticContact CD2-ND1 3.98Å; W84-H100 AromaticContact CE2-CG 3.84Å; W84-H100 AromaticContact CE2-ND1 3.88Å; W84-H100 HydrophobicContact CE3-CB 4Å; W84-H100 AromaticContact CG-CD2 3.43Å; W84-H100 VanDerWaalsContact CG-CD2 3.43Å; W84-H100 AromaticContact CG-CE1 3.64Å; W84-H100 AromaticContact CG-CG 3.67Å; W84-H100 AromaticContact CG-ND1 3.8Å; W84-H100 AromaticContact CG-NE2 3.41Å; W84-H100 HydrophobicContact CH2-CB 4.38Å; W84-H100 HydrophobicContact CZ2-CB 4.31Å; W84-H100 HydrophobicContact CZ3-CB 4.22Å; W84-H100 AromaticContact NE1-CE1 3.83Å; W84-H100 AromaticContact NE1-CG 3.98Å; W84-H100 AromaticContact NE1-ND1 3.58Å; Q96-H100 WeakPolarHBondContact O-CB 3.47Å; Q96-H100 PolarHBondContact O-N 3.29Å; V97-H100 WeakPolarHBondContact O-CB 3.5Å; V97-H100 PolarHBondContact O-N 3.46Å; L98-H100 VanDerWaalsContact C-N 3.32Å; L98-H100 PolarHBondContact O-N 3.44Å; H100-S102 VanDerWaalsContact C-N 3.29Å; H100-S102 PolarHBondContact O-N 3.25Å; H100-R103 WeakPolarHBondContact O-CB 3.47Å; H100-R103 PolarHBondContact O-N 2.84Å; H100-R103 VanDerWaalsContact O-N 3.13Å; H100-L104 WeakPolarHBondContact NE2-CD1 3.45Å; H100-L104 WeakPolarHBondContact O-CG 3.41Å; H100-L104 PolarHBondContact O-N 3.44Å; H100-L104 VanDerWaalsContact O-N 3.14Å |
| 101 | L | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.6 | -34.9 | -177.3 | -172.8 | 59.9 | 0 | 0 | 0 | 113 | V9 L11 V46 V97 L98 L104 L105 F117 V141 | V9-L101 HydrophobicContact CG1-CD1 4.47Å; V9-L101 HydrophobicContact CG1-CD2 3.76Å; V9-L101 HydrophobicContact CG1-CG 4.23Å; L11-L101 HydrophobicContact CB-CD2 3.85Å; L11-L101 HydrophobicContact CD1-CD2 4.03Å; L11-L101 HydrophobicContact CG-CD2 4.35Å; V46-L101 HydrophobicContact CB-CD2 4Å; V46-L101 HydrophobicContact CG1-CD2 4.43Å; V46-L101 HydrophobicContact CG2-CD1 3.95Å; V46-L101 HydrophobicContact CG2-CD2 3.88Å; V97-L101 PolarHBondContact O-N 3.49Å; L98-L101 PolarHBondContact O-N 3.44Å; L101-L104 HydrophobicContact CD1-CB 4.45Å; L101-L104 HydrophobicContact CD1-CD1 4.11Å; L101-L104 WeakPolarHBondContact O-CB 3.48Å; L101-L104 PolarHBondContact O-N 3.26Å; L101-L105 PolarHBondContact O-N 3.31Å; L101-F117 HydrophobicContact CD1-CE1 3.93Å; L101-F117 HydrophobicContact CD1-CZ 3.76Å; L101-V141 HydrophobicContact CB-CG1 4.32Å; L101-V141 HydrophobicContact CD2-CG1 3.84Å; L101-V141 HydrophobicContact CG-CG1 4.18Å; L101-V141 HydrophobicContact CG-CG2 4.27Å |
| 102 | S | 94.2 | Very high | 93.3 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.042 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.1 | -44 | 174.5 | 173 | 0 | 0 | 0 | 0 | 111.8 | L98 H100 L104 L105 E106 | L98-S102 VanDerWaalsContact O-CB 3.28Å; L98-S102 WeakPolarHBondContact O-CB 3.42Å; L98-S102 PolarHBondContact O-N 3.42Å; H100-S102 VanDerWaalsContact C-N 3.29Å; H100-S102 PolarHBondContact O-N 3.25Å; S102-L104 VanDerWaalsContact C-N 3.3Å; S102-L104 PolarHBondContact O-N 3.23Å; S102-L105 PolarHBondContact O-N 3.17Å; S102-E106 WeakPolarHBondContact O-CG 3.49Å; S102-E106 PolarHBondContact O-N 3.13Å |
| 103 | R | 91.6 | Very high | 93 | Very high | 87 Ų | 87 | 45.7 Ų | 45.7 | 33% | 0.328 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -62.2 | -37.2 | 173.5 | -71.4 | 178.4 | -68.5 | -175.2 | 2.5 | 112.5 | R99 H100 V107 | R99-R103 WeakPolarHBondContact O-CG 3.45Å; R99-R103 PolarHBondContact O-N 2.9Å; R99-R103 PolarHBondContact O-NE 2.94Å; H100-R103 WeakPolarHBondContact O-CB 3.47Å; H100-R103 PolarHBondContact O-N 2.84Å; H100-R103 VanDerWaalsContact O-N 3.13Å; R103-V107 WeakPolarHBondContact O-CG2 3.09Å; R103-V107 PolarHBondContact O-N 2.91Å; R103-V107 VanDerWaalsContact O-N 3.13Å |
| 104 | L | 92.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | 176.1 | -60.5 | -178.2 | 0 | 0 | 0 | 112.1 | H100 L101 S102 V107 Y108 L121 L126 V129 | H100-L104 WeakPolarHBondContact NE2-CD1 3.45Å; H100-L104 WeakPolarHBondContact O-CG 3.41Å; H100-L104 PolarHBondContact O-N 3.44Å; H100-L104 VanDerWaalsContact O-N 3.14Å; L101-L104 HydrophobicContact CD1-CB 4.45Å; L101-L104 HydrophobicContact CD1-CD1 4.11Å; L101-L104 WeakPolarHBondContact O-CB 3.48Å; L101-L104 PolarHBondContact O-N 3.26Å; S102-L104 VanDerWaalsContact C-N 3.3Å; S102-L104 PolarHBondContact O-N 3.23Å; L104-V107 PolarHBondContact O-N 3.33Å; L104-Y108 VanDerWaalsContact O-CB 3.3Å; L104-Y108 WeakPolarHBondContact O-CB 3.42Å; L104-Y108 PolarHBondContact O-N 3.04Å; L104-L121 HydrophobicContact CD1-CD2 4.15Å; L104-L126 HydrophobicContact CD1-CB 4.14Å; L104-L126 HydrophobicContact CD1-CD1 3.4Å; L104-L126 VanDerWaalsContact CD1-CD1 3.4Å; L104-L126 HydrophobicContact CD1-CG 4.31Å; L104-L126 HydrophobicContact CD2-CB 3.74Å; L104-L126 HydrophobicContact CD2-CD1 4.01Å; L104-L126 HydrophobicContact CD2-CD2 4.02Å; L104-L126 HydrophobicContact CD2-CG 4.11Å; L104-L126 HydrophobicContact CG-CD1 4.23Å; L104-V129 HydrophobicContact CD2-CB 3.83Å; L104-V129 HydrophobicContact CD2-CG1 4.22Å; L104-V129 HydrophobicContact CD2-CG2 3.55Å |
| 105 | L | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.8 | -47.6 | 176.8 | 176 | 55.7 | 0 | 0 | 0 | 111.3 | V9 I43 L101 S102 V107 Y108 L109 F117 S139 R140 V141 | V9-L105 HydrophobicContact CB-CD2 4.27Å; V9-L105 HydrophobicContact CG2-CD1 3.79Å; V9-L105 HydrophobicContact CG2-CD2 4Å; V9-L105 HydrophobicContact CG2-CG 4.38Å; I43-L105 HydrophobicContact CD1-CD1 3.8Å; L101-L105 PolarHBondContact O-N 3.31Å; S102-L105 PolarHBondContact O-N 3.17Å; L105-V107 PolarHBondContact O-N 2.92Å; L105-Y108 HydrophobicContact CD1-CD1 4.34Å; L105-Y108 WeakPolarHBondContact O-CB 3.33Å; L105-Y108 PolarHBondContact O-N 3.14Å; L105-L109 HydrophobicContact CD1-CD1 3.86Å; L105-L109 HydrophobicContact CD1-CD2 4.39Å; L105-L109 HydrophobicContact CD1-CG 3.89Å; L105-L109 HydrophobicContact CG-CD1 4.03Å; L105-L109 HydrophobicContact CG-CG 4.46Å; L105-L109 WeakPolarHBondContact O-CG 3.33Å; L105-L109 PolarHBondContact O-N 3.38Å; L105-F117 HydrophobicContact CB-CE2 4.45Å; L105-F117 HydrophobicContact CD1-CE2 4.36Å; L105-S139 WeakPolarHBondContact CD2-OG 3.23Å; L105-R140 WeakPolarHBondContact CD2-O 3.3Å; L105-V141 HydrophobicContact CB-CG2 4.34Å; L105-V141 HydrophobicContact CD2-CG2 3.81Å |
| 106 | E | 92.3 | Very high | 92.6 | Very high | 30 Ų | 30 | 53.7 Ų | 53.7 | 14% | 0.14 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.7 | -47.5 | 177.7 | -68.5 | -53.3 | 139.2 | 0 | 0 | 112.2 | S102 Y108 L109 H110 S139 | S102-E106 WeakPolarHBondContact O-CG 3.49Å; S102-E106 PolarHBondContact O-N 3.13Å; E106-Y108 VanDerWaalsContact C-N 3.32Å; E106-Y108 PolarHBondContact O-N 3.32Å; E106-L109 PolarHBondContact O-N 2.86Å; E106-H110 WeakPolarHBondContact O-CB 3.35Å; E106-H110 PolarHBondContact O-N 3.41Å; E106-S139 PolarHBondContact OE1-OG 3Å |
| 107 | V | 90.9 | Very high | 92.6 | Very high | 26 Ų | 26 | 50.6 Ų | 50.6 | 16% | 0.158 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.9 | -39.4 | 178.1 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | R103 L104 L105 H110 R111 Y120 V129 C131 | R103-V107 WeakPolarHBondContact O-CG2 3.09Å; R103-V107 PolarHBondContact O-N 2.91Å; R103-V107 VanDerWaalsContact O-N 3.13Å; L104-V107 PolarHBondContact O-N 3.33Å; L105-V107 PolarHBondContact O-N 2.92Å; V107-H110 PolarHBondContact O-N 3.13Å; V107-R111 HydrophobicContact CG1-CG 4.45Å; V107-R111 VanDerWaalsContact O-CG 3.24Å; V107-R111 WeakPolarHBondContact O-CG 3.42Å; V107-R111 PolarHBondContact O-N 3.07Å; V107-R111 VanDerWaalsContact O-N 3.09Å; V107-Y120 WeakPolarHBondContact CG1-OH 3.4Å; V107-V129 HydrophobicContact CB-CG1 4.35Å; V107-V129 HydrophobicContact CG2-CG1 3.66Å; V107-C131 HydrophobicContact CG2-CB 4.14Å |
| 108 | Y | 92.4 | Very high | 92.7 | Very high | 9 Ų | 9 | 52.7 Ų | 52.7 | 4% | 0.035 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.2 | -49.7 | 175 | 167.6 | -101.7 | 0 | 0 | 0 | 111.9 | M1 I43 L104 L105 E106 H110 R111 K112 I115 F117 Y120 | M1-Y108 WeakPolarHBondContact CE-OH 3.49Å; I43-Y108 HydrophobicContact CD1-CD1 4.32Å; I43-Y108 HydrophobicContact CD1-CE1 3.85Å; L104-Y108 VanDerWaalsContact O-CB 3.3Å; L104-Y108 WeakPolarHBondContact O-CB 3.42Å; L104-Y108 PolarHBondContact O-N 3.04Å; L105-Y108 HydrophobicContact CD1-CD1 4.34Å; L105-Y108 WeakPolarHBondContact O-CB 3.33Å; L105-Y108 PolarHBondContact O-N 3.14Å; E106-Y108 VanDerWaalsContact C-N 3.32Å; E106-Y108 PolarHBondContact O-N 3.32Å; Y108-H110 VanDerWaalsContact C-N 3.33Å; Y108-H110 PolarHBondContact O-N 3.01Å; Y108-R111 PolarHBondContact O-N 2.87Å; Y108-K112 PolarHBondContact O-N 3.22Å; Y108-I115 HydrophobicContact CE2-CG1 4.42Å; Y108-I115 WeakPolarHBondContact CE2-O 3.05Å; Y108-I115 PolarHBondContact OH-O 2.91Å; Y108-F117 AromaticContact CD1-CD2 3.63Å; Y108-F117 HydrophobicContact CD1-CD2 3.63Å; Y108-F117 HydrophobicContact CD1-CE2 4.31Å; Y108-F117 HydrophobicContact CD2-CD2 4.08Å; Y108-F117 HydrophobicContact CE1-CB 4.25Å; Y108-F117 HydrophobicContact CE1-CD2 4.06Å; Y108-F117 HydrophobicContact CE2-CD2 4.46Å; Y108-F117 AromaticContact CG-CD2 3.63Å; Y108-F117 HydrophobicContact CG-CD2 3.63Å; Y108-F117 HydrophobicContact CG-CE2 4.13Å; Y108-F117 PolarHBondContact OH-N 3.28Å; Y108-Y120 HydrophobicContact CD2-CD1 4.16Å; Y108-Y120 AromaticContact CD2-CD2 3.67Å; Y108-Y120 HydrophobicContact CD2-CD2 3.67Å; Y108-Y120 HydrophobicContact CD2-CE2 4.37Å; Y108-Y120 AromaticContact CD2-CG 3.55Å; Y108-Y120 HydrophobicContact CD2-CG 3.55Å; Y108-Y120 HydrophobicContact CE2-CG 4.32Å; Y108-Y120 HydrophobicContact CG-CG 4.35Å |
| 109 | L | 92.4 | Very high | 92.6 | Very high | 35 Ų | 35 | 57.2 Ų | 57.2 | 18% | 0.183 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -39.6 | -179.9 | -68.4 | 174.3 | 0 | 0 | 0 | 111.7 | P7 I43 L105 E106 K112 S139 | P7-L109 HydrophobicContact CB-CD1 4.14Å; P7-L109 HydrophobicContact CB-CD2 4.02Å; P7-L109 HydrophobicContact CG-CD1 4.37Å; P7-L109 HydrophobicContact CG-CD2 4.1Å; I43-L109 HydrophobicContact CD1-CD2 4.19Å; L105-L109 HydrophobicContact CD1-CD1 3.86Å; L105-L109 HydrophobicContact CD1-CD2 4.39Å; L105-L109 HydrophobicContact CD1-CG 3.89Å; L105-L109 HydrophobicContact CG-CD1 4.03Å; L105-L109 HydrophobicContact CG-CG 4.46Å; L105-L109 WeakPolarHBondContact O-CG 3.33Å; L105-L109 PolarHBondContact O-N 3.38Å; E106-L109 PolarHBondContact O-N 2.86Å; L109-K112 WeakPolarHBondContact O-CG 3.43Å; L109-K112 PolarHBondContact O-N 3.23Å; L109-S139 VanDerWaalsContact CD1-CB 3.48Å |
| 110 | H | 90.5 | Very high | 92.6 | Very high | 160 Ų | 160 | 52.2 Ų | 52.2 | 74% | 0.741 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -65.1 | -39.8 | 178 | -172.1 | 82.9 | 0 | 0 | 0 | 112.9 | E106 V107 Y108 K112 | E106-H110 WeakPolarHBondContact O-CB 3.35Å; E106-H110 PolarHBondContact O-N 3.41Å; V107-H110 PolarHBondContact O-N 3.13Å; Y108-H110 VanDerWaalsContact C-N 3.33Å; Y108-H110 PolarHBondContact O-N 3.01Å; H110-K112 PolarHBondContact O-N 3.32Å |
| 111 | R | 89.9 | Confident | 92.7 | Very high | 104 Ų | 104 | 53 Ų | 53 | 39% | 0.392 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.9 | -25.6 | -179.3 | -75.9 | 170.9 | 172.5 | -144.9 | 10 | 113.4 | V107 Y108 E113 | V107-R111 HydrophobicContact CG1-CG 4.45Å; V107-R111 VanDerWaalsContact O-CG 3.24Å; V107-R111 WeakPolarHBondContact O-CG 3.42Å; V107-R111 PolarHBondContact O-N 3.07Å; V107-R111 VanDerWaalsContact O-N 3.09Å; Y108-R111 PolarHBondContact O-N 2.87Å; R111-E113 HydrophobicContact CB-CG 4.12Å; R111-E113 WeakPolarHBondContact CD-OE1 3.33Å; R111-E113 IonicContact NH1-OE1 3.92Å; R111-E113 PolarHBondContact NH1-OE1 2.95Å; R111-E113 PolarHBondContact O-N 2.77Å; R111-E113 VanDerWaalsContact O-N 3.08Å |
| 112 | K | 85.4 | Confident | 92.4 | Very high | 166 Ų | 166 | 57.5 Ų | 57.5 | 72% | 0.722 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 29.8 | 178.5 | -62.3 | 177.3 | 180 | 177 | 0 | 113.6 | Y108 L109 H110 | Y108-K112 PolarHBondContact O-N 3.22Å; L109-K112 WeakPolarHBondContact O-CG 3.43Å; L109-K112 PolarHBondContact O-N 3.23Å; H110-K112 PolarHBondContact O-N 3.32Å |
| 113 | E | 87.6 | Confident | 92.1 | Very high | 48 Ų | 48 | 62.2 Ų | 62.2 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | trans | -66.6 | 149.8 | 176.5 | -71.9 | 174.4 | -143.9 | 0 | 0 | 111 | M1 R111 I115 Y124 | M1-E113 VanDerWaalsContact CE-O 3.23Å; M1-E113 WeakPolarHBondContact CE-O 3.32Å; R111-E113 HydrophobicContact CB-CG 4.12Å; R111-E113 WeakPolarHBondContact CD-OE1 3.33Å; R111-E113 IonicContact NH1-OE1 3.92Å; R111-E113 PolarHBondContact NH1-OE1 2.95Å; R111-E113 PolarHBondContact O-N 2.77Å; R111-E113 VanDerWaalsContact O-N 3.08Å; E113-I115 HydrophobicContact CB-CG1 4.02Å; E113-I115 PolarHBondContact O-N 2.8Å; E113-I115 VanDerWaalsContact O-N 3.15Å; E113-I115 WeakPolarHBondContact OE2-CD1 3.36Å; E113-Y124 PolarHBondContact OE1-OH 2.86Å; E113-Y124 WeakPolarHBondContact OE2-CE2 3.44Å; E113-Y124 PolarHBondContact OE2-OH 3.18Å | ||
| 114 | K | 90.8 | Very high | 91.6 | Very high | 210 Ų | 210 | 61.7 Ų | 61.7 | 91% | 0.913 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -88.6 | 48.9 | 178.4 | -64.9 | -175.3 | 179.5 | -179.2 | 0 | 111.9 | ||
| 115 | I | 94.3 | Very high | 90.9 | Very high | 34 Ų | 34 | 67.8 Ų | 67.8 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -127.6 | 151.7 | 176 | 63.5 | 174.2 | 0 | 0 | 0 | 109.4 | Y108 E113 Q119 Y120 I123 Y124 | Y108-I115 HydrophobicContact CE2-CG1 4.42Å; Y108-I115 WeakPolarHBondContact CE2-O 3.05Å; Y108-I115 PolarHBondContact OH-O 2.91Å; E113-I115 HydrophobicContact CB-CG1 4.02Å; E113-I115 PolarHBondContact O-N 2.8Å; E113-I115 VanDerWaalsContact O-N 3.15Å; E113-I115 WeakPolarHBondContact OE2-CD1 3.36Å; I115-Q119 HydrophobicContact CB-CB 4.04Å; I115-Y120 HydrophobicContact CD1-CD2 4.26Å; I115-I123 HydrophobicContact CD1-CD1 4.15Å; I115-Y124 HydrophobicContact CD1-CE2 4.04Å |
| 116 | S | 95.7 | Very high | 89.9 | Confident | 38 Ų | 38 | 68.4 Ų | 68.4 | 27% | 0.266 | 33% | 0.331 | S | S | . | . | trans | -68.3 | 158.3 | 175.1 | 74.5 | 0 | 0 | 0 | 0 | 111.2 | K118 Q119 Y120 | S116-K118 PolarHBondContact O-N 2.86Å; S116-Q119 WeakPolarHBondContact O-CB 3.41Å; S116-Q119 PolarHBondContact O-N 3.12Å; S116-Q119 WeakPolarHBondContact OG-CG 3.17Å; S116-Q119 PolarHBondContact OG-N 2.98Å; S116-Y120 PolarHBondContact O-N 3.33Å | ||
| 117 | F | 96.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 69 Ų | 69 | 0% | 0.004 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -58.9 | -38 | 175.3 | -170.4 | -108.2 | 0 | 0 | 0 | 111.6 | V9 V46 L101 L105 Y108 Q119 Y120 L121 | V9-F117 HydrophobicContact CB-CE1 4.36Å; V9-F117 HydrophobicContact CG1-CD1 4.13Å; V9-F117 HydrophobicContact CG1-CE1 3.64Å; V9-F117 HydrophobicContact CG1-CZ 4.38Å; V9-F117 HydrophobicContact CG2-CD1 3.81Å; V9-F117 HydrophobicContact CG2-CE1 3.78Å; V9-F117 HydrophobicContact CG2-CG 4.19Å; V9-F117 HydrophobicContact CG2-CZ 4.14Å; V46-F117 HydrophobicContact CG2-CD1 4.47Å; V46-F117 HydrophobicContact CG2-CE1 3.87Å; L101-F117 HydrophobicContact CD1-CE1 3.93Å; L101-F117 HydrophobicContact CD1-CZ 3.76Å; L105-F117 HydrophobicContact CB-CE2 4.45Å; L105-F117 HydrophobicContact CD1-CE2 4.36Å; Y108-F117 AromaticContact CD1-CD2 3.63Å; Y108-F117 HydrophobicContact CD1-CD2 3.63Å; Y108-F117 HydrophobicContact CD1-CE2 4.31Å; Y108-F117 HydrophobicContact CD2-CD2 4.08Å; Y108-F117 HydrophobicContact CE1-CB 4.25Å; Y108-F117 HydrophobicContact CE1-CD2 4.06Å; Y108-F117 HydrophobicContact CE2-CD2 4.46Å; Y108-F117 AromaticContact CG-CD2 3.63Å; Y108-F117 HydrophobicContact CG-CD2 3.63Å; Y108-F117 HydrophobicContact CG-CE2 4.13Å; Y108-F117 PolarHBondContact OH-N 3.28Å; F117-Q119 PolarHBondContact O-N 3.38Å; F117-Y120 HydrophobicContact CE2-CD1 4.38Å; F117-Y120 WeakPolarHBondContact O-CB 3.41Å; F117-Y120 PolarHBondContact O-N 2.89Å; F117-L121 HydrophobicContact CD1-CD1 4.01Å; F117-L121 HydrophobicContact CD1-CG 4.26Å; F117-L121 HydrophobicContact CE1-CD1 3.79Å; F117-L121 HydrophobicContact CE1-CD2 4.04Å; F117-L121 HydrophobicContact CE1-CG 4Å; F117-L121 HydrophobicContact CZ-CD2 4.01Å; F117-L121 HydrophobicContact CZ-CG 4.36Å; F117-L121 WeakPolarHBondContact O-CG 3.24Å; F117-L121 PolarHBondContact O-N 3.2Å |
| 118 | K | 96.7 | Very high | 87.7 | Confident | 43 Ų | 43 | 75.3 Ų | 75.3 | 19% | 0.187 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -56.2 | -47.3 | 171.7 | 179.3 | -175.1 | 178.6 | 173 | 0 | 112.2 | T73 S76 I79 S116 Y120 L121 S122 | T73-K118 PolarHBondContact O-NZ 3.42Å; S76-K118 WeakPolarHBondContact O-CD 2.96Å; S76-K118 PolarHBondContact O-NZ 2.94Å; I79-K118 WeakPolarHBondContact O-CD 3.3Å; I79-K118 WeakPolarHBondContact O-CE 3.39Å; I79-K118 PolarHBondContact O-NZ 2.86Å; S116-K118 PolarHBondContact O-N 2.86Å; K118-Y120 VanDerWaalsContact C-N 3.35Å; K118-L121 PolarHBondContact O-N 3.08Å; K118-S122 PolarHBondContact O-N 3.24Å |
| 119 | Q | 95.8 | Very high | 86.5 | Confident | 95 Ų | 95 | 76.1 Ų | 76.1 | 44% | 0.444 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 178 | -73.8 | 171.9 | -37.6 | 0 | 0 | 111.2 | I115 S116 F117 L121 S122 I123 | I115-Q119 HydrophobicContact CB-CB 4.04Å; S116-Q119 WeakPolarHBondContact O-CB 3.41Å; S116-Q119 PolarHBondContact O-N 3.12Å; S116-Q119 WeakPolarHBondContact OG-CG 3.17Å; S116-Q119 PolarHBondContact OG-N 2.98Å; F117-Q119 PolarHBondContact O-N 3.38Å; Q119-L121 VanDerWaalsContact C-N 3.32Å; Q119-L121 PolarHBondContact O-N 2.82Å; Q119-S122 PolarHBondContact O-N 3.43Å; Q119-S122 PolarHBondContact O-OG 3.08Å; Q119-I123 HydrophobicContact CB-CD1 4.38Å; Q119-I123 WeakPolarHBondContact O-CG1 3.47Å; Q119-I123 PolarHBondContact O-N 2.85Å |
| 120 | Y | 94.3 | Very high | 84.8 | Confident | 1 Ų | 1 | 82.8 Ų | 82.8 | 0% | 0.004 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -55.1 | -47.1 | 175.3 | 179.8 | -93.2 | 0 | 0 | 0 | 111.6 | V107 Y108 I115 S116 F117 K118 S122 I123 Y124 L126 | V107-Y120 WeakPolarHBondContact CG1-OH 3.4Å; Y108-Y120 HydrophobicContact CD2-CD1 4.16Å; Y108-Y120 AromaticContact CD2-CD2 3.67Å; Y108-Y120 HydrophobicContact CD2-CD2 3.67Å; Y108-Y120 HydrophobicContact CD2-CE2 4.37Å; Y108-Y120 AromaticContact CD2-CG 3.55Å; Y108-Y120 HydrophobicContact CD2-CG 3.55Å; Y108-Y120 HydrophobicContact CE2-CG 4.32Å; Y108-Y120 HydrophobicContact CG-CG 4.35Å; I115-Y120 HydrophobicContact CD1-CD2 4.26Å; S116-Y120 PolarHBondContact O-N 3.33Å; F117-Y120 HydrophobicContact CE2-CD1 4.38Å; F117-Y120 WeakPolarHBondContact O-CB 3.41Å; F117-Y120 PolarHBondContact O-N 2.89Å; K118-Y120 VanDerWaalsContact C-N 3.35Å; Y120-S122 PolarHBondContact O-N 3.17Å; Y120-I123 PolarHBondContact O-N 3.34Å; Y120-Y124 AromaticContact CD2-CD2 3.28Å; Y120-Y124 HydrophobicContact CD2-CD2 3.28Å; Y120-Y124 AromaticContact CD2-CE2 3.47Å; Y120-Y124 HydrophobicContact CD2-CE2 3.47Å; Y120-Y124 VanDerWaalsContact CD2-CE2 3.47Å; Y120-Y124 HydrophobicContact CD2-CG 4.36Å; Y120-Y124 AromaticContact CE2-CD2 3.36Å; Y120-Y124 HydrophobicContact CE2-CD2 3.36Å; Y120-Y124 AromaticContact CE2-CE2 3.66Å; Y120-Y124 HydrophobicContact CE2-CE2 3.66Å; Y120-Y124 HydrophobicContact CE2-CG 4.08Å; Y120-Y124 AromaticContact CG-CD2 3.96Å; Y120-Y124 HydrophobicContact CG-CD2 3.96Å; Y120-Y124 HydrophobicContact CG-CE2 4.45Å; Y120-Y124 PolarHBondContact O-N 3.46Å; Y120-L126 HydrophobicContact CD1-CD2 4.46Å; Y120-L126 HydrophobicContact CE1-CD2 3.72Å |
| 121 | L | 94.1 | Very high | 82.9 | Confident | 19 Ų | 19 | 79 Ų | 79 | 10% | 0.099 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -59.5 | -28.8 | 177 | -66.4 | 174.7 | 0 | 0 | 0 | 113.6 | V46 L104 F117 K118 Q119 L126 | V46-L121 HydrophobicContact CG1-CD1 4.46Å; V46-L121 HydrophobicContact CG2-CD1 3.63Å; L104-L121 HydrophobicContact CD1-CD2 4.15Å; F117-L121 HydrophobicContact CD1-CD1 4.01Å; F117-L121 HydrophobicContact CD1-CG 4.26Å; F117-L121 HydrophobicContact CE1-CD1 3.79Å; F117-L121 HydrophobicContact CE1-CD2 4.04Å; F117-L121 HydrophobicContact CE1-CG 4Å; F117-L121 HydrophobicContact CZ-CD2 4.01Å; F117-L121 HydrophobicContact CZ-CG 4.36Å; F117-L121 WeakPolarHBondContact O-CG 3.24Å; F117-L121 PolarHBondContact O-N 3.2Å; K118-L121 PolarHBondContact O-N 3.08Å; Q119-L121 VanDerWaalsContact C-N 3.32Å; Q119-L121 PolarHBondContact O-N 2.82Å; L121-L126 HydrophobicContact CD2-CD1 3.45Å; L121-L126 VanDerWaalsContact CD2-CD1 3.45Å |
| 122 | S | 90.2 | Very high | 81.3 | Confident | 95 Ų | 95 | 81.7 Ų | 81.7 | 66% | 0.664 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -88 | -27.9 | -177.9 | 72.2 | 0 | 0 | 0 | 0 | 114.6 | K118 Q119 Y120 | K118-S122 PolarHBondContact O-N 3.24Å; Q119-S122 PolarHBondContact O-N 3.43Å; Q119-S122 PolarHBondContact O-OG 3.08Å; Y120-S122 PolarHBondContact O-N 3.17Å |
| 123 | I | 86.9 | Confident | 79.8 | Confident | 105 Ų | 105 | 80.9 Ų | 80.9 | 54% | 0.538 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -90.8 | -38 | -172.3 | -69 | 166 | 0 | 0 | 0 | 111.2 | I115 Q119 Y120 | I115-I123 HydrophobicContact CD1-CD1 4.15Å; Q119-I123 HydrophobicContact CB-CD1 4.38Å; Q119-I123 WeakPolarHBondContact O-CG1 3.47Å; Q119-I123 PolarHBondContact O-N 2.85Å; Y120-I123 PolarHBondContact O-N 3.34Å |
| 124 | Y | 82 | Confident | 78.2 | Confident | 76 Ų | 76 | 81.2 Ų | 81.2 | 30% | 0.298 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -97.5 | 140 | -172.5 | -67.2 | -73.4 | 0 | 0 | 0 | 111.8 | E113 I115 Y120 L126 | E113-Y124 PolarHBondContact OE1-OH 2.86Å; E113-Y124 WeakPolarHBondContact OE2-CE2 3.44Å; E113-Y124 PolarHBondContact OE2-OH 3.18Å; I115-Y124 HydrophobicContact CD1-CE2 4.04Å; Y120-Y124 AromaticContact CD2-CD2 3.28Å; Y120-Y124 HydrophobicContact CD2-CD2 3.28Å; Y120-Y124 AromaticContact CD2-CE2 3.47Å; Y120-Y124 HydrophobicContact CD2-CE2 3.47Å; Y120-Y124 VanDerWaalsContact CD2-CE2 3.47Å; Y120-Y124 HydrophobicContact CD2-CG 4.36Å; Y120-Y124 AromaticContact CE2-CD2 3.36Å; Y120-Y124 HydrophobicContact CE2-CD2 3.36Å; Y120-Y124 AromaticContact CE2-CE2 3.66Å; Y120-Y124 HydrophobicContact CE2-CE2 3.66Å; Y120-Y124 HydrophobicContact CE2-CG 4.08Å; Y120-Y124 AromaticContact CG-CD2 3.96Å; Y120-Y124 HydrophobicContact CG-CD2 3.96Å; Y120-Y124 HydrophobicContact CG-CE2 4.45Å; Y120-Y124 PolarHBondContact O-N 3.46Å; Y124-L126 WeakPolarHBondContact O-CG 3.43Å; Y124-L126 PolarHBondContact O-N 3.09Å |
| 125 | D | 76.1 | Confident | 76.8 | Confident | 129 Ų | 129 | 74.5 Ų | 74.5 | 69% | 0.69 | 40% | 0.402 | S | S | * | . | trans | -76.3 | 109.6 | 165.1 | -174.7 | 4.9 | 0 | 0 | 0 | 109.1 | G127 | D125-G127 PolarHBondContact OD1-N 3.32Š| ||
| 126 | L | 73.1 | Confident | 75.4 | Confident | 13 Ų | 13 | 76.5 Ų | 76.5 | 7% | 0.068 | 42% | 0.424 | C | S | . | . | trans | -94.2 | -0.2 | -172.9 | -54.3 | -177.1 | 0 | 0 | 0 | 113 | L104 Y120 L121 Y124 H128 V129 | L104-L126 HydrophobicContact CD1-CB 4.14Å; L104-L126 HydrophobicContact CD1-CD1 3.4Å; L104-L126 VanDerWaalsContact CD1-CD1 3.4Å; L104-L126 HydrophobicContact CD1-CG 4.31Å; L104-L126 HydrophobicContact CD2-CB 3.74Å; L104-L126 HydrophobicContact CD2-CD1 4.01Å; L104-L126 HydrophobicContact CD2-CD2 4.02Å; L104-L126 HydrophobicContact CD2-CG 4.11Å; L104-L126 HydrophobicContact CG-CD1 4.23Å; Y120-L126 HydrophobicContact CD1-CD2 4.46Å; Y120-L126 HydrophobicContact CE1-CD2 3.72Å; L121-L126 HydrophobicContact CD2-CD1 3.45Å; L121-L126 VanDerWaalsContact CD2-CD1 3.45Å; Y124-L126 WeakPolarHBondContact O-CG 3.43Å; Y124-L126 PolarHBondContact O-N 3.09Å; L126-H128 PolarHBondContact O-N 3.08Å; L126-H128 VanDerWaalsContact O-N 3.08Å; L126-V129 HydrophobicContact CB-CG2 4.49Å; L126-V129 HydrophobicContact CD2-CG2 4.33Å; L126-V129 PolarHBondContact O-N 3.31Å | ||
| 127 | G | 68.8 | Low | 74.4 | Confident | 41 Ų | 41 | 80.1 Ų | 80.1 | 42% | 0.423 | 44% | 0.44 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -22.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D125 | D125-G127 PolarHBondContact OD1-N 3.32Š|
| 128 | H | 68.2 | Low | 74.1 | Confident | 159 Ų | 159 | 86.1 Ų | 86.1 | 74% | 0.736 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.2 | 21.5 | -172.7 | -59.4 | -53.5 | 0 | 0 | 0 | 114.3 | L126 Q130 | L126-H128 PolarHBondContact O-N 3.08Å; L126-H128 VanDerWaalsContact O-N 3.08Å; H128-Q130 PolarHBondContact O-N 3.44Å |
| 129 | V | 68.6 | Low | 74 | Confident | 27 Ų | 27 | 84.5 Ų | 84.5 | 16% | 0.164 | 46% | 0.462 | C | S | . | . | trans | -64.7 | 101.2 | 174.2 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | L104 V107 L126 | L104-V129 HydrophobicContact CD2-CB 3.83Å; L104-V129 HydrophobicContact CD2-CG1 4.22Å; L104-V129 HydrophobicContact CD2-CG2 3.55Å; V107-V129 HydrophobicContact CB-CG1 4.35Å; V107-V129 HydrophobicContact CG2-CG1 3.66Å; L126-V129 HydrophobicContact CB-CG2 4.49Å; L126-V129 HydrophobicContact CD2-CG2 4.33Å; L126-V129 PolarHBondContact O-N 3.31Å | ||
| 130 | Q | 55.4 | Low | 74 | Confident | 174 Ų | 174 | 81.6 Ų | 81.6 | 81% | 0.813 | 45% | 0.447 | S | S | * | . | trans | -100.8 | 110.4 | 168.3 | -64.2 | -175.2 | -3.2 | 0 | 0 | 106.9 | H128 | H128-Q130 PolarHBondContact O-N 3.44Š| ||
| 131 | C | 52 | Low | 74.1 | Confident | 80 Ų | 80 | 81.7 Ų | 81.7 | 54% | 0.541 | 45% | 0.447 | S | S | . | . | trans | -170.8 | 174.9 | 166.1 | -108 | 0 | 0 | 0 | 0 | 111.8 | V107 | V107-C131 HydrophobicContact CG2-CB 4.14Š| ||
| 132 | E | 55.6 | Low | 74.4 | Confident | 162 Ų | 162 | 80.9 Ų | 80.9 | 76% | 0.757 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 153.5 | -155.4 | -63 | 168.7 | 177.8 | 0 | 0 | 116.5 | ||
| 133 | N | 53.1 | Low | 74.8 | Confident | 148 Ų | 148 | 76.4 Ų | 76.4 | 79% | 0.791 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -53.3 | 145.5 | 176.9 | -66.9 | -38.3 | 0 | 0 | 0 | 110.2 | V135 | N133-V135 PolarHBondContact O-N 2.84Š|
| 134 | P | 54.7 | Low | 75.3 | Confident | 55 Ų | 55 | 71.5 Ų | 71.5 | 36% | 0.357 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -51 | 131.6 | 174.8 | 17.7 | -28.9 | 0 | 0 | 0 | 110.8 | A136 | P134-A136 PolarHBondContact O-N 3.27Š|
| 135 | V | 61 | Low | 76.1 | Confident | 69 Ų | 69 | 68.1 Ų | 68.1 | 42% | 0.418 | 37% | 0.374 | S | S | . | . | trans | -77.4 | 115.2 | 168.2 | -174.6 | 0 | 0 | 0 | 0 | 106.4 | N133 D137 E138 | N133-V135 PolarHBondContact O-N 2.84Å; V135-D137 PolarHBondContact O-N 3.11Å; V135-E138 HydrophobicContact CB-CB 4.42Å; V135-E138 HydrophobicContact CB-CG 4.33Å; V135-E138 HydrophobicContact CG1-CB 4.49Å; V135-E138 HydrophobicContact CG1-CG 3.89Å; V135-E138 PolarHBondContact O-N 3.29Å | ||
| 136 | A | 65.1 | Low | 77 | Confident | 77 Ų | 77 | 62.3 Ų | 62.3 | 64% | 0.636 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 136 | 177.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | P134 E138 | P134-A136 PolarHBondContact O-N 3.27Å; A136-E138 VanDerWaalsContact C-N 3.29Å; A136-E138 PolarHBondContact O-N 3.47Å |
| 137 | D | 75.6 | Confident | 78 | Confident | 113 Ų | 113 | 61.7 Ų | 61.7 | 60% | 0.604 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.2 | -1.7 | 172.8 | -49.3 | -38.1 | 0 | 0 | 0 | 117.5 | V135 R140 | V135-D137 PolarHBondContact O-N 3.11Å; D137-R140 IonicContact OD1-NH2 3.59Å; D137-R140 PolarHBondContact OD1-NH2 2.92Å |
| 138 | E | 88.5 | Confident | 79.2 | Confident | 128 Ų | 128 | 63.9 Ų | 63.9 | 60% | 0.598 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -28.6 | 172.4 | -69.4 | -167 | -170.9 | 0 | 0 | 113.4 | P7 V135 A136 | P7-E138 WeakPolarHBondContact CD-O 3.44Å; V135-E138 HydrophobicContact CB-CB 4.42Å; V135-E138 HydrophobicContact CB-CG 4.33Å; V135-E138 HydrophobicContact CG1-CB 4.49Å; V135-E138 HydrophobicContact CG1-CG 3.89Å; V135-E138 PolarHBondContact O-N 3.29Å; A136-E138 VanDerWaalsContact C-N 3.29Å; A136-E138 PolarHBondContact O-N 3.47Å |
| 139 | S | 94.4 | Very high | 80.5 | Confident | 8 Ų | 8 | 58.3 Ų | 58.3 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | trans | -152.4 | 169 | 176.2 | 92.4 | 0 | 0 | 0 | 0 | 110.8 | P7 L105 E106 L109 | P7-S139 CarbonylContact O-C 3.56Å; P7-S139 VanDerWaalsContact O-CA 3.32Å; P7-S139 WeakPolarHBondContact O-CA 3.39Å; L105-S139 WeakPolarHBondContact CD2-OG 3.23Å; E106-S139 PolarHBondContact OE1-OG 3Å; L109-S139 VanDerWaalsContact CD1-CB 3.48Å | ||
| 140 | R | 96.1 | Very high | 81.8 | Confident | 35 Ų | 35 | 57 Ų | 57 | 13% | 0.132 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 139.8 | 175.9 | -161 | 64.1 | 62.2 | 137.9 | 4.8 | 112.9 | P7 C8 V9 F40 L105 D137 M142 T170 F171 | P7-R140 PolarHBondContact O-N 3.47Å; C8-R140 CarbonylContact C-O 3.42Å; C8-R140 VanDerWaalsContact CA-O 3.23Å; C8-R140 WeakPolarHBondContact CA-O 3.3Å; V9-R140 PolarHBondContact N-O 2.86Å; F40-R140 HydrophobicContact CD1-CB 4.16Å; F40-R140 HydrophobicContact CE1-CB 3.62Å; F40-R140 HydrophobicContact CE1-CG 4.05Å; F40-R140 HydrophobicContact CZ-CB 4.38Å; F40-R140 HydrophobicContact CZ-CG 4.32Å; L105-R140 WeakPolarHBondContact CD2-O 3.3Å; D137-R140 IonicContact OD1-NH2 3.59Å; D137-R140 PolarHBondContact OD1-NH2 2.92Å; R140-M142 HydrophobicContact CG-CE 3.85Å; R140-M142 HydrophobicContact CG-CG 3.86Å; R140-T170 WeakPolarHBondContact CD-O 3.46Å; R140-T170 PolarHBondContact NH1-O 2.94Å; R140-F171 WeakPolarHBondContact CD-O 3.45Å; R140-F171 VanDerWaalsContact CG-O 3.28Å; R140-F171 WeakPolarHBondContact CG-O 3.23Å |
| 141 | V | 97.5 | Very high | 83.7 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.012 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 126.6 | 161.8 | 177.4 | 0 | 0 | 0 | 0 | 108 | V9 L11 L98 L101 L105 F171 | V9-V141 HydrophobicContact CB-CG2 4.41Å; V9-V141 VanDerWaalsContact O-CA 3.31Å; V9-V141 WeakPolarHBondContact O-CA 3.42Å; L11-V141 HydrophobicContact CB-CG1 4.33Å; L98-V141 HydrophobicContact CD2-CG1 3.72Å; L101-V141 HydrophobicContact CB-CG1 4.32Å; L101-V141 HydrophobicContact CD2-CG1 3.84Å; L101-V141 HydrophobicContact CG-CG1 4.18Å; L101-V141 HydrophobicContact CG-CG2 4.27Å; L105-V141 HydrophobicContact CB-CG2 4.34Å; L105-V141 HydrophobicContact CD2-CG2 3.81Å; V141-F171 HydrophobicContact CB-CD1 4.32Å; V141-F171 CarbonylContact O-C 3.59Å; V141-F171 VanDerWaalsContact O-C 3.26Å; V141-F171 WeakPolarHBondContact O-CA 3.35Å; V141-F171 WeakPolarHBondContact O-CB 3.42Å |
| 142 | M | 98.6 | Very high | 85.8 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.015 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 143.1 | 178.7 | -63.2 | -174.7 | 173.1 | 0 | 0 | 111.6 | V9 L10 L11 L34 F40 R140 L144 F171 G172 V174 | V9-M142 PolarHBondContact O-N 3.07Å; L10-M142 HydrophobicContact CD2-CB 4.06Å; L11-M142 PolarHBondContact N-O 3Å; L34-M142 HydrophobicContact CD1-SD 4Å; L34-M142 HydrophobicContact CD2-SD 4.33Å; F40-M142 HydrophobicContact CD1-CE 4.4Å; F40-M142 HydrophobicContact CD2-CE 3.65Å; F40-M142 HydrophobicContact CE1-CE 4.03Å; F40-M142 HydrophobicContact CE2-CE 3.2Å; F40-M142 HydrophobicContact CG-CE 4.25Å; F40-M142 HydrophobicContact CZ-CE 3.42Å; F40-M142 VanDerWaalsContact CZ-CE 3.42Å; R140-M142 HydrophobicContact CG-CE 3.85Å; R140-M142 HydrophobicContact CG-CG 3.86Å; M142-L144 PolarHBondContact O-N 3.28Å; M142-F171 WeakPolarHBondContact CG-O 3.37Å; M142-G172 WeakPolarHBondContact CA-O 3.37Å; M142-V174 HydrophobicContact CB-CG2 4.15Å; M142-V174 HydrophobicContact SD-CG2 3.71Å |
| 143 | L | 98.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 110.7 | 172 | 178.7 | 61.3 | 0 | 0 | 0 | 110.2 | T94 L98 L149 I167 G172 M173 V174 | T94-L143 HydrophobicContact CG2-CD1 3.93Å; T94-L143 HydrophobicContact CG2-CD2 3.94Å; L98-L143 HydrophobicContact CD1-CB 4.42Å; L98-L143 HydrophobicContact CD2-CB 4.32Å; L143-L149 HydrophobicContact CD2-CD2 3.93Å; L143-I167 HydrophobicContact CD2-CG2 4.23Å; L143-G172 PolarHBondContact N-O 2.97Å; L143-M173 HydrophobicContact CB-CG 4.29Å; L143-M173 HydrophobicContact CD2-CE 4.12Å; L143-M173 CarbonylContact O-C 3.52Å; L143-M173 VanDerWaalsContact O-CA 3.3Å; L143-M173 WeakPolarHBondContact O-CA 3.37Å; L143-V174 PolarHBondContact O-N 3.38Å |
| 144 | L | 98.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 124.3 | 171.2 | 175.7 | 62.2 | 0 | 0 | 0 | 110.1 | L10 L11 M26 F27 A30 M142 V174 I176 | L10-L144 HydrophobicContact CB-CB 4.34Å; L10-L144 HydrophobicContact CB-CD2 4.49Å; L10-L144 HydrophobicContact CD1-CD2 4.41Å; L11-L144 PolarHBondContact O-N 3.35Å; M26-L144 HydrophobicContact CB-CD1 4.37Å; M26-L144 HydrophobicContact CB-CD2 4.09Å; M26-L144 HydrophobicContact CB-CG 4.36Å; F27-L144 HydrophobicContact CB-CD2 4.25Å; F27-L144 HydrophobicContact CD1-CD2 3.59Å; F27-L144 HydrophobicContact CD2-CD2 3.81Å; F27-L144 HydrophobicContact CE1-CD2 3.74Å; F27-L144 HydrophobicContact CE2-CD2 3.91Å; F27-L144 HydrophobicContact CG-CD2 3.62Å; F27-L144 HydrophobicContact CZ-CD2 3.91Å; A30-L144 HydrophobicContact CB-CD1 3.6Å; A30-L144 HydrophobicContact CB-CD2 4.36Å; M142-L144 PolarHBondContact O-N 3.28Å; L144-V174 WeakPolarHBondContact CA-O 3.34Å; L144-V174 HydrophobicContact CD1-CB 4.06Å; L144-V174 HydrophobicContact CD1-CG1 4.19Å; L144-I176 HydrophobicContact CD1-CD1 4.03Å; L144-I176 HydrophobicContact CD1-CG1 3.96Å |
| 145 | C | 97.5 | Very high | 91.7 | Very high | 6 Ų | 6 | 39.6 Ų | 39.6 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 169.6 | -179.1 | 62.6 | 0 | 0 | 0 | 0 | 113 | L149 M173 V174 V175 I176 | C145-L149 HydrophobicContact CB-CB 3.76Å; C145-L149 HydrophobicContact CB-CD1 3.88Å; C145-L149 HydrophobicContact CB-CD2 3.98Å; C145-L149 HydrophobicContact CB-CG 4.08Å; C145-M173 VanDerWaalsContact SG-CE 3.53Å; C145-V174 PolarHBondContact N-O 2.68Å; C145-V175 WeakPolarHBondContact O-CA 3.45Å; C145-I176 PolarHBondContact O-N 3.37Å |
| 146 | G | 95.1 | Very high | 93.2 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 7% | 0.072 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 159.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D148 L149 I176 | G146-D148 WeakPolarHBondContact CA-OD1 3.35Å; G146-D148 PolarHBondContact O-N 3.25Å; G146-D148 VanDerWaalsContact O-N 3.13Å; G146-L149 WeakPolarHBondContact O-CB 3.2Å; G146-L149 PolarHBondContact O-N 3.08Å; G146-I176 CarbonylContact C-O 3.46Å; G146-I176 WeakPolarHBondContact CA-O 3.34Å |
| 147 | A | 94.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.4 | -29.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L149 L150 E151 V175 I176 S181 P183 | A147-L149 VanDerWaalsContact C-N 3.26Å; A147-L149 PolarHBondContact O-N 3.43Å; A147-L150 PolarHBondContact O-N 3.46Å; A147-E151 WeakPolarHBondContact O-CG 3.38Å; A147-E151 PolarHBondContact O-N 2.93Å; A147-V175 HydrophobicContact CB-CG1 4.07Å; A147-I176 PolarHBondContact N-O 3.32Å; A147-S181 VanDerWaalsContact CB-OG 3.24Å; A147-S181 WeakPolarHBondContact CB-OG 3.15Å; A147-P183 HydrophobicContact CB-CB 3.97Å; A147-P183 HydrophobicContact CB-CG 3.93Å |
| 148 | D | 93.3 | Very high | 95.5 | Very high | 86 Ų | 86 | 47.4 Ų | 47.4 | 46% | 0.46 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.5 | -32.5 | 174.8 | 57.1 | -48.3 | 0 | 0 | 0 | 113.2 | G146 S152 R178 | G146-D148 WeakPolarHBondContact CA-OD1 3.35Å; G146-D148 PolarHBondContact O-N 3.25Å; G146-D148 VanDerWaalsContact O-N 3.13Å; D148-S152 PolarHBondContact O-N 3.21Å; D148-R178 VanDerWaalsContact OD1-CD 3.26Å; D148-R178 WeakPolarHBondContact OD1-CD 3.42Å; D148-R178 IonicContact OD1-NH1 3.32Å |
| 149 | L | 95.4 | Very high | 95.9 | Very high | 43 Ų | 43 | 43.6 Ų | 43.6 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -73.1 | -43.2 | 174.4 | -172.4 | 148.2 | 0 | 0 | 0 | 111.3 | L143 C145 G146 A147 E151 S152 F153 W159 M173 | L143-L149 HydrophobicContact CD2-CD2 3.93Å; C145-L149 HydrophobicContact CB-CB 3.76Å; C145-L149 HydrophobicContact CB-CD1 3.88Å; C145-L149 HydrophobicContact CB-CD2 3.98Å; C145-L149 HydrophobicContact CB-CG 4.08Å; G146-L149 WeakPolarHBondContact O-CB 3.2Å; G146-L149 PolarHBondContact O-N 3.08Å; A147-L149 VanDerWaalsContact C-N 3.26Å; A147-L149 PolarHBondContact O-N 3.43Å; L149-E151 VanDerWaalsContact C-N 3.35Å; L149-S152 VanDerWaalsContact O-CB 3.32Å; L149-S152 WeakPolarHBondContact O-CB 3.48Å; L149-S152 PolarHBondContact O-N 2.95Å; L149-S152 VanDerWaalsContact O-N 3.15Å; L149-S152 PolarHBondContact O-OG 2.99Å; L149-F153 HydrophobicContact CD2-CE1 4.43Å; L149-W159 HydrophobicContact CD2-CH2 4.36Å; L149-W159 HydrophobicContact CD2-CZ2 4.22Å; L149-W159 HydrophobicContact CG-CZ2 4.33Å; L149-M173 HydrophobicContact CD2-CE 3.95Å |
| 150 | L | 97 | Very high | 96 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.5 | -48.6 | 176.9 | 178.3 | 68.7 | 0 | 0 | 0 | 110.4 | A147 S152 F153 M173 V175 P183 Y186 V187 V193 V200 | A147-L150 PolarHBondContact O-N 3.46Å; L150-S152 PolarHBondContact O-N 2.92Å; L150-S152 VanDerWaalsContact O-N 3.16Å; L150-F153 WeakPolarHBondContact O-CB 3.32Å; L150-F153 PolarHBondContact O-N 2.8Å; L150-M173 HydrophobicContact CB-CE 4.32Å; L150-M173 HydrophobicContact CD1-CE 3.85Å; L150-M173 HydrophobicContact CD1-SD 3.88Å; L150-V175 HydrophobicContact CB-CG1 4.07Å; L150-V175 HydrophobicContact CB-CG2 4.28Å; L150-V175 HydrophobicContact CD2-CG1 4.14Å; L150-V175 HydrophobicContact CD2-CG2 4.18Å; L150-P183 HydrophobicContact CD2-CB 4.18Å; L150-Y186 HydrophobicContact CD1-CD1 4.48Å; L150-Y186 HydrophobicContact CD1-CE1 4.27Å; L150-Y186 HydrophobicContact CD2-CD1 3.85Å; L150-Y186 HydrophobicContact CD2-CE1 4.44Å; L150-Y186 HydrophobicContact CG-CD1 3.68Å; L150-Y186 HydrophobicContact CG-CE1 3.79Å; L150-Y186 VanDerWaalsContact O-CE1 3.22Å; L150-Y186 WeakPolarHBondContact O-CE1 3.19Å; L150-Y186 PolarHBondContact O-OH 3.06Å; L150-V187 HydrophobicContact CD2-CG2 4.02Å; L150-V193 HydrophobicContact CD1-CG1 4.16Å; L150-V193 HydrophobicContact CD1-CG2 4.4Å; L150-V200 HydrophobicContact CD2-CG1 4.36Å |
| 151 | E | 95.6 | Very high | 96 | Very high | 64 Ų | 64 | 48 Ų | 48 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.7 | -26.5 | 178.8 | -70.8 | 174 | -177 | 0 | 0 | 112.4 | A147 L149 F153 S154 S181 D182 Y186 | A147-E151 WeakPolarHBondContact O-CG 3.38Å; A147-E151 PolarHBondContact O-N 2.93Å; L149-E151 VanDerWaalsContact C-N 3.35Å; E151-F153 PolarHBondContact O-N 3Å; E151-S154 PolarHBondContact O-N 2.96Å; E151-S181 WeakPolarHBondContact OE1-CB 3.46Å; E151-D182 PolarHBondContact OE1-N 2.7Å; E151-Y186 HydrophobicContact CB-CD2 4.25Å; E151-Y186 HydrophobicContact CB-CE2 4.3Å; E151-Y186 HydrophobicContact CG-CD1 4.44Å; E151-Y186 HydrophobicContact CG-CD2 3.85Å; E151-Y186 HydrophobicContact CG-CE2 4.39Å; E151-Y186 HydrophobicContact CG-CG 3.88Å |
| 152 | S | 95.6 | Very high | 96 | Very high | 21 Ų | 21 | 54 Ų | 54 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -65.6 | -14.9 | 177 | 84.9 | 0 | 0 | 0 | 0 | 114 | D148 L149 L150 S154 V155 W159 | D148-S152 PolarHBondContact O-N 3.21Å; L149-S152 VanDerWaalsContact O-CB 3.32Å; L149-S152 WeakPolarHBondContact O-CB 3.48Å; L149-S152 PolarHBondContact O-N 2.95Å; L149-S152 VanDerWaalsContact O-N 3.15Å; L149-S152 PolarHBondContact O-OG 2.99Å; L150-S152 PolarHBondContact O-N 2.92Å; L150-S152 VanDerWaalsContact O-N 3.16Å; S152-S154 PolarHBondContact O-N 3.46Å; S152-S154 VanDerWaalsContact O-N 3.16Å; S152-V155 VanDerWaalsContact O-CB 3.31Å; S152-V155 WeakPolarHBondContact O-CB 3.34Å; S152-V155 PolarHBondContact O-N 2.7Å; S152-W159 PolarHBondContact O-NE1 3.04Å; S152-W159 PolarHBondContact OG-NE1 3.43Å |
| 153 | F | 96.6 | Very high | 95.9 | Very high | 12 Ų | 12 | 54.4 Ų | 54.4 | 5% | 0.053 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -61 | -20.7 | 173.1 | -79.1 | 15.5 | 0 | 0 | 0 | 112.7 | L149 L150 E151 W159 M164 I167 L168 M173 Y186 V193 | L149-F153 HydrophobicContact CD2-CE1 4.43Å; L150-F153 WeakPolarHBondContact O-CB 3.32Å; L150-F153 PolarHBondContact O-N 2.8Å; E151-F153 PolarHBondContact O-N 3Å; F153-W159 AromaticContact CD1-CD1 3.9Å; F153-W159 AromaticContact CD1-CD2 3.79Å; F153-W159 HydrophobicContact CD1-CD2 3.79Å; F153-W159 AromaticContact CD1-CE2 3.7Å; F153-W159 HydrophobicContact CD1-CE3 4.37Å; F153-W159 AromaticContact CD1-CG 3.94Å; F153-W159 HydrophobicContact CD1-CG 3.94Å; F153-W159 HydrophobicContact CD1-CZ2 4.23Å; F153-W159 AromaticContact CD1-NE1 3.75Å; F153-W159 AromaticContact CE1-CD2 3.76Å; F153-W159 HydrophobicContact CE1-CD2 3.76Å; F153-W159 AromaticContact CE1-CE2 3.74Å; F153-W159 AromaticContact CE1-CE3 3.89Å; F153-W159 HydrophobicContact CE1-CE3 3.89Å; F153-W159 HydrophobicContact CE1-CG 4.36Å; F153-W159 HydrophobicContact CE1-CH2 4.03Å; F153-W159 AromaticContact CE1-CZ2 3.89Å; F153-W159 HydrophobicContact CE1-CZ2 3.89Å; F153-W159 HydrophobicContact CE1-CZ3 4.02Å; F153-M164 HydrophobicContact CB-SD 3.63Å; F153-M164 HydrophobicContact CD1-CG 4.26Å; F153-M164 HydrophobicContact CD1-SD 4.26Å; F153-M164 HydrophobicContact CD2-CB 4.27Å; F153-M164 HydrophobicContact CD2-CG 3.9Å; F153-M164 HydrophobicContact CD2-SD 3.86Å; F153-M164 HydrophobicContact CE1-CG 4.38Å; F153-M164 HydrophobicContact CE2-CB 4.19Å; F153-M164 HydrophobicContact CE2-CG 4.04Å; F153-M164 HydrophobicContact CG-CG 4.01Å; F153-M164 HydrophobicContact CG-SD 3.66Å; F153-M164 HydrophobicContact CZ-CG 4.28Å; F153-I167 HydrophobicContact CZ-CD1 4.43Å; F153-I167 HydrophobicContact CZ-CG2 4.24Å; F153-L168 HydrophobicContact CD2-CD1 4.37Å; F153-L168 HydrophobicContact CE2-CD1 4.05Å; F153-L168 HydrophobicContact CE2-CD2 4.22Å; F153-L168 HydrophobicContact CE2-CG 4.06Å; F153-M173 HydrophobicContact CE2-SD 3.96Å; F153-M173 HydrophobicContact CZ-CE 4.25Å; F153-M173 HydrophobicContact CZ-SD 3.86Å; F153-Y186 WeakPolarHBondContact CB-OH 3.27Å; F153-V193 HydrophobicContact CD2-CG2 4.15Å |
| 154 | S | 95.2 | Very high | 95.9 | Very high | 76 Ų | 76 | 55.2 Ų | 55.2 | 53% | 0.531 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -89.5 | -3.3 | 173.9 | -65.2 | 0 | 0 | 0 | 0 | 113.7 | E151 S152 K156 Y186 N190 | E151-S154 PolarHBondContact O-N 2.96Å; S152-S154 PolarHBondContact O-N 3.46Å; S152-S154 VanDerWaalsContact O-N 3.16Å; S154-K156 PolarHBondContact O-N 2.78Å; S154-Y186 PolarHBondContact N-OH 3.09Å; S154-Y186 VanDerWaalsContact OG-CE2 3.25Å; S154-Y186 WeakPolarHBondContact OG-CE2 3.32Å; S154-Y186 PolarHBondContact OG-OH 3.06Å; S154-N190 PolarHBondContact OG-ND2 3.44Å |
| 155 | V | 95 | Very high | 95.9 | Very high | 79 Ų | 79 | 57 Ų | 57 | 48% | 0.479 | 31% | 0.31 | S | S | . | . | S | Bend | trans | -74.4 | 119.5 | 176.6 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | S152 D157 L158 | S152-V155 VanDerWaalsContact O-CB 3.31Å; S152-V155 WeakPolarHBondContact O-CB 3.34Å; S152-V155 PolarHBondContact O-N 2.7Å; V155-D157 PolarHBondContact O-N 3.02Å; V155-L158 HydrophobicContact CB-CB 3.89Å; V155-L158 HydrophobicContact CB-CD2 3.81Å; V155-L158 HydrophobicContact CG1-CB 3.82Å; V155-L158 HydrophobicContact CG1-CD2 4.02Å; V155-L158 HydrophobicContact CG2-CD2 4.27Å; V155-L158 WeakPolarHBondContact O-CB 3.04Å; V155-L158 PolarHBondContact O-N 2.83Å |
| 156 | K | 93.7 | Very high | 95.9 | Very high | 174 Ų | 174 | 58.5 Ų | 58.5 | 76% | 0.757 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 133.8 | -179.8 | -169.5 | -172.4 | 170.7 | -175.7 | 0 | 111.1 | S154 L158 | S154-K156 PolarHBondContact O-N 2.78Å; K156-L158 PolarHBondContact O-N 3.47Å; K156-L158 VanDerWaalsContact O-N 3.11Å |
| 157 | D | 93.2 | Very high | 96 | Very high | 148 Ų | 148 | 58.1 Ų | 58.1 | 79% | 0.791 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 11.4 | 176.3 | -51.1 | -41.5 | 0 | 0 | 0 | 115.1 | V155 | V155-D157 PolarHBondContact O-N 3.02Š|
| 158 | L | 94.6 | Very high | 96.1 | Very high | 101 Ų | 101 | 58.1 Ų | 58.1 | 53% | 0.529 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -39.4 | 177.4 | -175.5 | 62.2 | 0 | 0 | 0 | 112.7 | V155 K156 | V155-L158 HydrophobicContact CB-CB 3.89Å; V155-L158 HydrophobicContact CB-CD2 3.81Å; V155-L158 HydrophobicContact CG1-CB 3.82Å; V155-L158 HydrophobicContact CG1-CD2 4.02Å; V155-L158 HydrophobicContact CG2-CD2 4.27Å; V155-L158 WeakPolarHBondContact O-CB 3.04Å; V155-L158 PolarHBondContact O-N 2.83Å; K156-L158 PolarHBondContact O-N 3.47Å; K156-L158 VanDerWaalsContact O-N 3.11Å |
| 159 | W | 96.6 | Very high | 96.3 | Very high | 49 Ų | 49 | 56 Ų | 56 | 19% | 0.186 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -122.7 | 138.5 | -177.9 | -63.8 | 90.3 | 0 | 0 | 0 | 110.9 | L149 S152 F153 M164 I167 | L149-W159 HydrophobicContact CD2-CH2 4.36Å; L149-W159 HydrophobicContact CD2-CZ2 4.22Å; L149-W159 HydrophobicContact CG-CZ2 4.33Å; S152-W159 PolarHBondContact O-NE1 3.04Å; S152-W159 PolarHBondContact OG-NE1 3.43Å; F153-W159 AromaticContact CD1-CD1 3.9Å; F153-W159 AromaticContact CD1-CD2 3.79Å; F153-W159 HydrophobicContact CD1-CD2 3.79Å; F153-W159 AromaticContact CD1-CE2 3.7Å; F153-W159 HydrophobicContact CD1-CE3 4.37Å; F153-W159 AromaticContact CD1-CG 3.94Å; F153-W159 HydrophobicContact CD1-CG 3.94Å; F153-W159 HydrophobicContact CD1-CZ2 4.23Å; F153-W159 AromaticContact CD1-NE1 3.75Å; F153-W159 AromaticContact CE1-CD2 3.76Å; F153-W159 HydrophobicContact CE1-CD2 3.76Å; F153-W159 AromaticContact CE1-CE2 3.74Å; F153-W159 AromaticContact CE1-CE3 3.89Å; F153-W159 HydrophobicContact CE1-CE3 3.89Å; F153-W159 HydrophobicContact CE1-CG 4.36Å; F153-W159 HydrophobicContact CE1-CH2 4.03Å; F153-W159 AromaticContact CE1-CZ2 3.89Å; F153-W159 HydrophobicContact CE1-CZ2 3.89Å; F153-W159 HydrophobicContact CE1-CZ3 4.02Å; W159-M164 HydrophobicContact CB-CE 4.19Å; W159-M164 HydrophobicContact CB-CG 3.67Å; W159-M164 HydrophobicContact CB-SD 3.64Å; W159-M164 HydrophobicContact CG-CG 4.31Å; W159-M164 HydrophobicContact CG-SD 4.35Å; W159-I167 HydrophobicContact CE3-CD1 4.39Å; W159-I167 HydrophobicContact CZ3-CD1 3.89Å |
| 160 | S | 96.6 | Very high | 96.2 | Very high | 44 Ų | 44 | 56.5 Ų | 56.5 | 31% | 0.308 | 31% | 0.309 | S | S | . | . | trans | -78.8 | 144 | 169.8 | 81.1 | 0 | 0 | 0 | 0 | 110.2 | D162 D163 M164 | S160-D162 VanDerWaalsContact C-N 3.26Å; S160-D162 PolarHBondContact O-N 2.66Å; S160-D163 PolarHBondContact O-N 3.36Å; S160-D163 VanDerWaalsContact OG-CB 3.31Å; S160-D163 WeakPolarHBondContact OG-CB 3.32Å; S160-D163 PolarHBondContact OG-N 3.22Å; S160-D163 VanDerWaalsContact OG-N 3.16Å; S160-D163 PolarHBondContact OG-OD1 3.22Å; S160-D163 PolarHBondContact OG-OD2 3.16Å; S160-M164 WeakPolarHBondContact O-CG 3.45Å; S160-M164 PolarHBondContact O-N 2.84Å | ||
| 161 | T | 96.2 | Very high | 96.2 | Very high | 91 Ų | 91 | 56.7 Ų | 56.7 | 56% | 0.558 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61 | -36.2 | 178.8 | -53.8 | 0 | 0 | 0 | 0 | 112.4 | M164 T165 | T161-M164 PolarHBondContact O-N 3.37Å; T161-T165 VanDerWaalsContact O-CB 3.32Å; T161-T165 WeakPolarHBondContact O-CB 3.4Å; T161-T165 PolarHBondContact O-N 3.08Å; T161-T165 PolarHBondContact O-OG1 2.89Å |
| 162 | D | 97.7 | Very high | 96.3 | Very high | 129 Ų | 129 | 53.7 Ų | 53.7 | 69% | 0.69 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65.7 | -44.1 | 178 | -65.7 | -17.6 | 0 | 0 | 0 | 111.3 | S160 T165 E166 | S160-D162 VanDerWaalsContact C-N 3.26Å; S160-D162 PolarHBondContact O-N 2.66Å; D162-T165 PolarHBondContact O-N 3.24Å; D162-E166 PolarHBondContact O-N 3.06Å |
| 163 | D | 97.7 | Very high | 96.5 | Very high | 10 Ų | 10 | 52.7 Ų | 52.7 | 5% | 0.053 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 177.8 | -62.3 | -22.1 | 0 | 0 | 0 | 111.3 | R93 V95 S160 T165 E166 I167 | R93-D163 WeakPolarHBondContact CD-OD2 3.18Å; R93-D163 IonicContact CZ-OD1 3.93Å; R93-D163 IonicContact CZ-OD2 2.93Å; R93-D163 IonicContact NE-OD2 3.29Å; R93-D163 IonicContact NH1-OD1 2.82Å; R93-D163 PolarHBondContact NH1-OD1 3.05Å; R93-D163 IonicContact NH1-OD2 2.75Å; R93-D163 PolarHBondContact NH1-OD2 2.99Å; R93-D163 IonicContact NH2-OD1 3.08Å; V95-D163 HydrophobicContact CB-CB 4.26Å; V95-D163 HydrophobicContact CG1-CB 4.21Å; V95-D163 VanDerWaalsContact CG1-OD1 3.25Å; V95-D163 WeakPolarHBondContact CG1-OD1 3.44Å; S160-D163 PolarHBondContact O-N 3.36Å; S160-D163 VanDerWaalsContact OG-CB 3.31Å; S160-D163 WeakPolarHBondContact OG-CB 3.32Å; S160-D163 PolarHBondContact OG-N 3.22Å; S160-D163 VanDerWaalsContact OG-N 3.16Å; S160-D163 PolarHBondContact OG-OD1 3.22Å; S160-D163 PolarHBondContact OG-OD2 3.16Å; D163-T165 VanDerWaalsContact C-N 3.3Å; D163-T165 PolarHBondContact O-N 3.17Å; D163-E166 PolarHBondContact O-N 3.05Å; D163-I167 WeakPolarHBondContact O-CB 3.25Å; D163-I167 WeakPolarHBondContact O-CD1 3.31Å; D163-I167 WeakPolarHBondContact O-CG1 3.47Å; D163-I167 PolarHBondContact O-N 3.19Å |
| 164 | M | 98.1 | Very high | 96.6 | Very high | 19 Ų | 19 | 52.1 Ų | 52.1 | 9% | 0.094 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 176.1 | -69.4 | -173.5 | -70.7 | 0 | 0 | 110.8 | F153 W159 S160 T161 E166 I167 L168 L192 | F153-M164 HydrophobicContact CB-SD 3.63Å; F153-M164 HydrophobicContact CD1-CG 4.26Å; F153-M164 HydrophobicContact CD1-SD 4.26Å; F153-M164 HydrophobicContact CD2-CB 4.27Å; F153-M164 HydrophobicContact CD2-CG 3.9Å; F153-M164 HydrophobicContact CD2-SD 3.86Å; F153-M164 HydrophobicContact CE1-CG 4.38Å; F153-M164 HydrophobicContact CE2-CB 4.19Å; F153-M164 HydrophobicContact CE2-CG 4.04Å; F153-M164 HydrophobicContact CG-CG 4.01Å; F153-M164 HydrophobicContact CG-SD 3.66Å; F153-M164 HydrophobicContact CZ-CG 4.28Å; W159-M164 HydrophobicContact CB-CE 4.19Å; W159-M164 HydrophobicContact CB-CG 3.67Å; W159-M164 HydrophobicContact CB-SD 3.64Å; W159-M164 HydrophobicContact CG-CG 4.31Å; W159-M164 HydrophobicContact CG-SD 4.35Å; S160-M164 WeakPolarHBondContact O-CG 3.45Å; S160-M164 PolarHBondContact O-N 2.84Å; T161-M164 PolarHBondContact O-N 3.37Å; M164-E166 PolarHBondContact O-N 3.21Å; M164-I167 PolarHBondContact O-N 3.36Å; M164-L168 WeakPolarHBondContact O-CB 3.49Å; M164-L168 WeakPolarHBondContact O-CD1 3.41Å; M164-L168 WeakPolarHBondContact O-CG 3.43Å; M164-L168 PolarHBondContact O-N 3.3Å; M164-L192 HydrophobicContact CB-CD2 3.63Å; M164-L192 HydrophobicContact CE-CD2 4.34Å |
| 165 | T | 97.9 | Very high | 96.7 | Very high | 38 Ų | 38 | 48.5 Ų | 48.5 | 23% | 0.233 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.1 | -48.3 | 179.5 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | T161 D162 D163 L168 S169 Y196 | T161-T165 VanDerWaalsContact O-CB 3.32Å; T161-T165 WeakPolarHBondContact O-CB 3.4Å; T161-T165 PolarHBondContact O-N 3.08Å; T161-T165 PolarHBondContact O-OG1 2.89Å; D162-T165 PolarHBondContact O-N 3.24Å; D163-T165 VanDerWaalsContact C-N 3.3Å; D163-T165 PolarHBondContact O-N 3.17Å; T165-L168 PolarHBondContact O-N 3.33Å; T165-S169 VanDerWaalsContact O-CB 3.24Å; T165-S169 WeakPolarHBondContact O-CB 3.17Å; T165-S169 PolarHBondContact O-N 3.28Å; T165-S169 PolarHBondContact O-OG 3.08Å; T165-Y196 HydrophobicContact CG2-CE2 4.14Å |
| 166 | E | 97.3 | Very high | 96.8 | Very high | 37 Ų | 37 | 45 Ų | 45 | 17% | 0.173 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -68.8 | -40.5 | -179.5 | -172.2 | -177.6 | 171.3 | 0 | 0 | 113 | V95 R99 D162 D163 M164 L168 S169 T170 F171 | V95-E166 HydrophobicContact CG2-CB 4.1Å; V95-E166 VanDerWaalsContact CG2-CD 3.47Å; V95-E166 HydrophobicContact CG2-CG 4.02Å; V95-E166 VanDerWaalsContact CG2-OE2 3.29Å; V95-E166 WeakPolarHBondContact CG2-OE2 3.4Å; R99-E166 IonicContact CZ-OE1 3.29Å; R99-E166 IonicContact CZ-OE2 3.47Å; R99-E166 VanDerWaalsContact CZ-OE2 3.27Å; R99-E166 IonicContact NE-OE1 4Å; R99-E166 PolarHBondContact NE-OE1 3.06Å; R99-E166 IonicContact NE-OE2 3.43Å; R99-E166 PolarHBondContact NE-OE2 3.31Å; R99-E166 IonicContact NH2-OE1 3.11Å; R99-E166 PolarHBondContact NH2-OE1 3.38Å; R99-E166 IonicContact NH2-OE2 3.24Å; R99-E166 PolarHBondContact NH2-OE2 2.67Å; D162-E166 PolarHBondContact O-N 3.06Å; D163-E166 PolarHBondContact O-N 3.05Å; M164-E166 PolarHBondContact O-N 3.21Å; E166-L168 PolarHBondContact O-N 3.26Å; E166-S169 PolarHBondContact O-N 3.18Å; E166-T170 WeakPolarHBondContact O-CA 3.33Å; E166-T170 VanDerWaalsContact O-CB 3.26Å; E166-T170 WeakPolarHBondContact O-CB 3.38Å; E166-T170 PolarHBondContact O-N 3.16Å; E166-F171 HydrophobicContact CG-CD2 4.25Å; E166-F171 HydrophobicContact CG-CE2 3.79Å; E166-F171 PolarHBondContact O-N 3.4Å |
| 167 | I | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -54.2 | -47.3 | 172.6 | -70.2 | 166.2 | 0 | 0 | 0 | 109.6 | V95 L98 L143 F153 W159 D163 M164 F171 G172 M173 | V95-I167 HydrophobicContact CB-CG1 4.37Å; V95-I167 HydrophobicContact CG2-CG1 4.36Å; L98-I167 HydrophobicContact CD1-CD1 4.46Å; L98-I167 HydrophobicContact CD1-CG1 3.71Å; L98-I167 HydrophobicContact CD1-CG2 4.44Å; L143-I167 HydrophobicContact CD2-CG2 4.23Å; F153-I167 HydrophobicContact CZ-CD1 4.43Å; F153-I167 HydrophobicContact CZ-CG2 4.24Å; W159-I167 HydrophobicContact CE3-CD1 4.39Å; W159-I167 HydrophobicContact CZ3-CD1 3.89Å; D163-I167 WeakPolarHBondContact O-CB 3.25Å; D163-I167 WeakPolarHBondContact O-CD1 3.31Å; D163-I167 WeakPolarHBondContact O-CG1 3.47Å; D163-I167 PolarHBondContact O-N 3.19Å; M164-I167 PolarHBondContact O-N 3.36Å; I167-F171 PolarHBondContact O-N 3.15Å; I167-G172 PolarHBondContact O-N 3.04Å; I167-M173 HydrophobicContact CG2-CG 3.84Å; I167-M173 HydrophobicContact CG2-SD 3.93Å |
| 168 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -77.8 | -38.3 | -176.1 | -67.8 | 167 | 0 | 0 | 0 | 113.3 | F153 M164 T165 E166 M173 L192 V193 Y196 N199 V200 | F153-L168 HydrophobicContact CD2-CD1 4.37Å; F153-L168 HydrophobicContact CE2-CD1 4.05Å; F153-L168 HydrophobicContact CE2-CD2 4.22Å; F153-L168 HydrophobicContact CE2-CG 4.06Å; M164-L168 WeakPolarHBondContact O-CB 3.49Å; M164-L168 WeakPolarHBondContact O-CD1 3.41Å; M164-L168 WeakPolarHBondContact O-CG 3.43Å; M164-L168 PolarHBondContact O-N 3.3Å; T165-L168 PolarHBondContact O-N 3.33Å; E166-L168 PolarHBondContact O-N 3.26Å; L168-M173 HydrophobicContact CD2-CG 4.48Å; L168-M173 HydrophobicContact CD2-SD 3.85Å; L168-L192 HydrophobicContact CD1-CD2 4.21Å; L168-L192 HydrophobicContact CD1-CG 3.87Å; L168-V193 HydrophobicContact CD1-CG2 4.07Å; L168-V193 HydrophobicContact CD2-CG1 4.42Å; L168-Y196 HydrophobicContact CB-CD2 3.8Å; L168-Y196 HydrophobicContact CB-CG 3.92Å; L168-Y196 HydrophobicContact CD1-CD2 4.4Å; L168-N199 WeakPolarHBondContact O-CB 3.35Å; L168-N199 PolarHBondContact O-ND2 3.05Å; L168-V200 HydrophobicContact CD2-CG2 3.55Å |
| 169 | S | 95.7 | Very high | 96.2 | Very high | 41 Ų | 41 | 33.6 Ų | 33.6 | 29% | 0.287 | 19% | 0.19 | S | C | . | . | I | π-helix | trans | -83.5 | -40 | -174.9 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | T165 E166 Y196 N199 | T165-S169 VanDerWaalsContact O-CB 3.24Å; T165-S169 WeakPolarHBondContact O-CB 3.17Å; T165-S169 PolarHBondContact O-N 3.28Å; T165-S169 PolarHBondContact O-OG 3.08Å; E166-S169 PolarHBondContact O-N 3.18Å; S169-Y196 VanDerWaalsContact CB-CE1 3.47Å; S169-N199 PolarHBondContact O-ND2 3.21Å |
| 170 | T | 95.2 | Very high | 95.7 | Very high | 54 Ų | 54 | 35.6 Ų | 35.6 | 33% | 0.331 | 23% | 0.226 | S | C | . | . | I | π-helix | trans | -102 | -43.8 | -167.8 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | R140 E166 | R140-T170 WeakPolarHBondContact CD-O 3.46Å; R140-T170 PolarHBondContact NH1-O 2.94Å; E166-T170 WeakPolarHBondContact O-CA 3.33Å; E166-T170 VanDerWaalsContact O-CB 3.26Å; E166-T170 WeakPolarHBondContact O-CB 3.38Å; E166-T170 PolarHBondContact O-N 3.16Å |
| 171 | F | 96.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -95.6 | -51 | -173.8 | -62.9 | -65.4 | 0 | 0 | 0 | 112.5 | V95 L98 R99 R140 V141 M142 E166 I167 | V95-F171 HydrophobicContact CG2-CE2 3.98Å; L98-F171 HydrophobicContact CB-CD1 3.93Å; L98-F171 HydrophobicContact CB-CD2 3.85Å; L98-F171 HydrophobicContact CB-CE1 3.89Å; L98-F171 HydrophobicContact CB-CE2 3.77Å; L98-F171 HydrophobicContact CB-CG 3.92Å; L98-F171 HydrophobicContact CB-CZ 3.81Å; L98-F171 HydrophobicContact CD1-CB 4.21Å; L98-F171 HydrophobicContact CD1-CD2 3.83Å; L98-F171 HydrophobicContact CD1-CE2 4.43Å; L98-F171 HydrophobicContact CD1-CG 4.03Å; L98-F171 HydrophobicContact CD2-CB 4.28Å; L98-F171 HydrophobicContact CD2-CD1 4.39Å; L98-F171 HydrophobicContact CD2-CG 4.23Å; L98-F171 HydrophobicContact CG-CD2 4.36Å; L98-F171 HydrophobicContact CG-CG 4.29Å; R99-F171 HydrophobicContact CB-CZ 4.41Å; R99-F171 HydrophobicContact CG-CE2 4.25Å; R99-F171 HydrophobicContact CG-CZ 3.71Å; R140-F171 WeakPolarHBondContact CD-O 3.45Å; R140-F171 VanDerWaalsContact CG-O 3.28Å; R140-F171 WeakPolarHBondContact CG-O 3.23Å; V141-F171 HydrophobicContact CB-CD1 4.32Å; V141-F171 CarbonylContact O-C 3.59Å; V141-F171 VanDerWaalsContact O-C 3.26Å; V141-F171 WeakPolarHBondContact O-CA 3.35Å; V141-F171 WeakPolarHBondContact O-CB 3.42Å; M142-F171 WeakPolarHBondContact CG-O 3.37Å; E166-F171 HydrophobicContact CG-CD2 4.25Å; E166-F171 HydrophobicContact CG-CE2 3.79Å; E166-F171 PolarHBondContact O-N 3.4Å; I167-F171 PolarHBondContact O-N 3.15Å |
| 172 | G | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | 85.3 | 169.1 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M142 L143 I167 N199 | M142-G172 WeakPolarHBondContact CA-O 3.37Å; L143-G172 PolarHBondContact N-O 2.97Å; I167-G172 PolarHBondContact O-N 3.04Å; G172-N199 CarbonylContact C-O 3.26Å; G172-N199 WeakPolarHBondContact CA-O 3.3Å | ||
| 173 | M | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 141.9 | -175.6 | -61.6 | -176.4 | 64.7 | 0 | 0 | 110.4 | L143 C145 L149 L150 F153 I167 L168 V175 N199 H201 | L143-M173 HydrophobicContact CB-CG 4.29Å; L143-M173 HydrophobicContact CD2-CE 4.12Å; L143-M173 CarbonylContact O-C 3.52Å; L143-M173 VanDerWaalsContact O-CA 3.3Å; L143-M173 WeakPolarHBondContact O-CA 3.37Å; C145-M173 VanDerWaalsContact SG-CE 3.53Å; L149-M173 HydrophobicContact CD2-CE 3.95Å; L150-M173 HydrophobicContact CB-CE 4.32Å; L150-M173 HydrophobicContact CD1-CE 3.85Å; L150-M173 HydrophobicContact CD1-SD 3.88Å; F153-M173 HydrophobicContact CE2-SD 3.96Å; F153-M173 HydrophobicContact CZ-CE 4.25Å; F153-M173 HydrophobicContact CZ-SD 3.86Å; I167-M173 HydrophobicContact CG2-CG 3.84Å; I167-M173 HydrophobicContact CG2-SD 3.93Å; L168-M173 HydrophobicContact CD2-CG 4.48Å; L168-M173 HydrophobicContact CD2-SD 3.85Å; M173-V175 HydrophobicContact CB-CG2 3.97Å; M173-V175 HydrophobicContact CE-CG2 4.17Å; M173-N199 PolarHBondContact N-O 3.35Å; M173-H201 PolarHBondContact O-N 2.92Å |
| 174 | V | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 117.5 | 163.9 | -170.1 | 0 | 0 | 0 | 0 | 107.6 | L10 A30 L34 M142 L143 L144 C145 I176 H201 V203 | L10-V174 HydrophobicContact CD2-CG2 3.78Å; A30-V174 HydrophobicContact CB-CB 4.39Å; A30-V174 HydrophobicContact CB-CG1 3.65Å; L34-V174 HydrophobicContact CD1-CG2 3.81Å; L34-V174 HydrophobicContact CD2-CG2 4.33Å; L34-V174 HydrophobicContact CG-CG2 4.28Å; M142-V174 HydrophobicContact CB-CG2 4.15Å; M142-V174 HydrophobicContact SD-CG2 3.71Å; L143-V174 PolarHBondContact O-N 3.38Å; L144-V174 WeakPolarHBondContact CA-O 3.34Å; L144-V174 HydrophobicContact CD1-CB 4.06Å; L144-V174 HydrophobicContact CD1-CG1 4.19Å; C145-V174 PolarHBondContact N-O 2.68Å; V174-I176 HydrophobicContact CG1-CD1 4.44Å; V174-H201 CarbonylContact C-O 3.54Å; V174-H201 WeakPolarHBondContact CA-O 3.45Å; V174-H201 HydrophobicContact CG1-CB 4.45Å; V174-H201 HydrophobicContact CG2-CB 4.4Å; V174-V203 HydrophobicContact CG1-CG2 3.57Å |
| 175 | V | 98.4 | Very high | 95 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 111.2 | -167.7 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | C145 A147 L150 M173 P183 V200 H201 I202 V203 | C145-V175 WeakPolarHBondContact O-CA 3.45Å; A147-V175 HydrophobicContact CB-CG1 4.07Å; L150-V175 HydrophobicContact CB-CG1 4.07Å; L150-V175 HydrophobicContact CB-CG2 4.28Å; L150-V175 HydrophobicContact CD2-CG1 4.14Å; L150-V175 HydrophobicContact CD2-CG2 4.18Å; M173-V175 HydrophobicContact CB-CG2 3.97Å; M173-V175 HydrophobicContact CE-CG2 4.17Å; V175-P183 HydrophobicContact CG1-CB 4.23Å; V175-V200 HydrophobicContact CG2-CG1 4.04Å; V175-H201 PolarHBondContact N-O 3.39Å; V175-I202 WeakPolarHBondContact O-CA 3.28Å; V175-V203 PolarHBondContact O-N 3.33Å |
| 176 | I | 97 | Very high | 95 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.036 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 125.7 | 178.1 | -48.8 | -52.8 | 0 | 0 | 0 | 109.3 | M26 I29 A30 L144 C145 G146 A147 V174 V203 E205 | M26-I176 HydrophobicContact CB-CG1 4.03Å; M26-I176 HydrophobicContact CG-CB 4.44Å; M26-I176 HydrophobicContact CG-CG1 3.94Å; M26-I176 HydrophobicContact SD-CG1 4.31Å; I29-I176 HydrophobicContact CD1-CG2 4.35Å; A30-I176 HydrophobicContact CB-CD1 4.33Å; L144-I176 HydrophobicContact CD1-CD1 4.03Å; L144-I176 HydrophobicContact CD1-CG1 3.96Å; C145-I176 PolarHBondContact O-N 3.37Å; G146-I176 CarbonylContact C-O 3.46Å; G146-I176 WeakPolarHBondContact CA-O 3.34Å; A147-I176 PolarHBondContact N-O 3.32Å; V174-I176 HydrophobicContact CG1-CD1 4.44Å; I176-V203 WeakPolarHBondContact CA-O 3.42Å; I176-V203 HydrophobicContact CD1-CB 3.83Å; I176-V203 HydrophobicContact CD1-CG1 4.35Å; I176-V203 HydrophobicContact CD1-CG2 4.36Å; I176-E205 HydrophobicContact CG2-CB 3.85Å |
| 177 | T | 94.9 | Very high | 95.1 | Very high | 26 Ų | 26 | 37.3 Ų | 37.3 | 16% | 0.16 | 21% | 0.213 | C | C | . | . | trans | -61.4 | 145.1 | 176.8 | 60 | 0 | 0 | 0 | 0 | 111.4 | P183 I202 V203 T204 E205 | T177-P183 HydrophobicContact CG2-CG 3.92Å; T177-I202 HydrophobicContact CG2-CG2 3.9Å; T177-V203 PolarHBondContact N-O 2.99Å; T177-T204 WeakPolarHBondContact OG1-CA 3.15Å; T177-E205 PolarHBondContact OG1-N 3.19Å | ||
| 178 | R | 88.1 | Confident | 95.1 | Very high | 73 Ų | 73 | 45.6 Ų | 45.6 | 28% | 0.275 | 25% | 0.245 | S | C | . | . | trans | -126.3 | 158.7 | 172.7 | -61.2 | -168.9 | 70 | 135.7 | 9.5 | 111.9 | D148 G180 S181 E210 | D148-R178 VanDerWaalsContact OD1-CD 3.26Å; D148-R178 WeakPolarHBondContact OD1-CD 3.42Å; D148-R178 IonicContact OD1-NH1 3.32Å; R178-G180 PolarHBondContact O-N 2.91Å; R178-S181 PolarHBondContact N-OG 3.06Å; R178-S181 PolarHBondContact O-N 3.42Å; R178-S181 VanDerWaalsContact O-N 3.15Å; R178-S181 PolarHBondContact O-OG 3.32Å; R178-E210 IonicContact CZ-OE2 3.31Å; R178-E210 IonicContact NE-OE2 3.46Å; R178-E210 IonicContact NH2-OE2 2.74Å; R178-E210 PolarHBondContact NH2-OE2 3.22Å; R178-E210 VanDerWaalsContact NH2-OE2 3.08Å | ||
| 179 | S | 85.6 | Confident | 95 | Very high | 84 Ų | 84 | 51 Ų | 51 | 59% | 0.587 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | 126.2 | 173.4 | -48.6 | 0 | 0 | 0 | 0 | 110.3 | E210 | S179-E210 WeakPolarHBondContact CB-OE1 3.22Å; S179-E210 PolarHBondContact N-OE1 3.15Å; S179-E210 PolarHBondContact OG-OE1 3Å |
| 180 | G | 86.1 | Confident | 95.1 | Very high | 91 Ų | 91 | 50.4 Ų | 50.4 | 94% | 0.938 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.4 | 1.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R178 | R178-G180 PolarHBondContact O-N 2.91Š|
| 181 | S | 88.5 | Confident | 95.3 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 18% | 0.175 | 28% | 0.283 | C | S | . | . | trans | -104.9 | 150.5 | 170.4 | 63.3 | 0 | 0 | 0 | 0 | 111 | A147 E151 R178 | A147-S181 VanDerWaalsContact CB-OG 3.24Å; A147-S181 WeakPolarHBondContact CB-OG 3.15Å; E151-S181 WeakPolarHBondContact OE1-CB 3.46Å; R178-S181 PolarHBondContact N-OG 3.06Å; R178-S181 PolarHBondContact O-N 3.42Å; R178-S181 VanDerWaalsContact O-N 3.15Å; R178-S181 PolarHBondContact O-OG 3.32Å | ||
| 182 | D | 94.5 | Very high | 95.3 | Very high | 78 Ų | 78 | 55.4 Ų | 55.4 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | trans | -131 | 79.7 | 172.5 | -172.9 | -12 | 0 | 0 | 0 | 109.3 | E151 F184 R185 Y186 | E151-D182 PolarHBondContact OE1-N 2.7Å; D182-F184 PolarHBondContact O-N 2.66Å; D182-F184 PolarHBondContact OD1-N 2.86Å; D182-R185 HydrophobicContact CB-CB 4.02Å; D182-R185 PolarHBondContact O-N 2.86Å; D182-R185 WeakPolarHBondContact OD1-CB 3.4Å; D182-R185 PolarHBondContact OD1-N 2.82Å; D182-R185 VanDerWaalsContact OD2-CB 3.28Å; D182-R185 WeakPolarHBondContact OD2-CB 3.19Å; D182-Y186 PolarHBondContact O-N 3.25Å | ||
| 183 | P | 96 | Very high | 95.4 | Very high | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.013 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.2 | -26.5 | -177.6 | 25 | -33.9 | 0 | 0 | 0 | 112.5 | A147 L150 V175 T177 Y186 V187 I202 | A147-P183 HydrophobicContact CB-CB 3.97Å; A147-P183 HydrophobicContact CB-CG 3.93Å; L150-P183 HydrophobicContact CD2-CB 4.18Å; V175-P183 HydrophobicContact CG1-CB 4.23Å; T177-P183 HydrophobicContact CG2-CG 3.92Å; P183-Y186 PolarHBondContact O-N 3.3Å; P183-V187 VanDerWaalsContact O-CG2 3.25Å; P183-V187 WeakPolarHBondContact O-CG2 3.32Å; P183-V187 PolarHBondContact O-N 3.3Å; P183-I202 HydrophobicContact CB-CD1 4.01Å; P183-I202 HydrophobicContact CB-CG1 4.27Å; P183-I202 HydrophobicContact CB-CG2 4.28Å; P183-I202 HydrophobicContact CG-CD1 4.44Å; P183-I202 HydrophobicContact CG-CG2 3.74Å |
| 184 | F | 96.7 | Very high | 95.3 | Very high | 116 Ų | 116 | 60.7 Ų | 60.7 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.5 | -47.4 | 177.4 | -69.7 | -80.8 | 0 | 0 | 0 | 111 | D182 Y186 V187 Y188 I202 | D182-F184 PolarHBondContact O-N 2.66Å; D182-F184 PolarHBondContact OD1-N 2.86Å; F184-Y186 VanDerWaalsContact C-N 3.32Å; F184-V187 PolarHBondContact O-N 3.12Å; F184-Y188 PolarHBondContact O-N 3.46Å; F184-Y188 VanDerWaalsContact O-N 3.15Å; F184-I202 HydrophobicContact CB-CD1 4.38Å; F184-I202 HydrophobicContact CD1-CD1 3.57Å; F184-I202 HydrophobicContact CD2-CD1 4.33Å; F184-I202 HydrophobicContact CD2-CG2 4.08Å; F184-I202 HydrophobicContact CE1-CB 3.92Å; F184-I202 HydrophobicContact CE1-CD1 3.83Å; F184-I202 HydrophobicContact CE1-CG1 4.47Å; F184-I202 HydrophobicContact CE1-CG2 4.03Å; F184-I202 HydrophobicContact CE2-CB 4.29Å; F184-I202 HydrophobicContact CE2-CG2 3.47Å; F184-I202 VanDerWaalsContact CE2-CG2 3.47Å; F184-I202 HydrophobicContact CG-CD1 3.84Å; F184-I202 HydrophobicContact CZ-CB 3.78Å; F184-I202 HydrophobicContact CZ-CD1 4.32Å; F184-I202 HydrophobicContact CZ-CG2 3.44Å; F184-I202 VanDerWaalsContact CZ-CG2 3.44Å |
| 185 | R | 97 | Very high | 95.3 | Very high | 146 Ų | 146 | 69.1 Ų | 69.1 | 55% | 0.551 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.8 | -42.6 | 173.2 | -179.8 | 176.9 | 179.4 | 167.6 | 3.2 | 111.5 | D182 V187 Y188 E189 | D182-R185 HydrophobicContact CB-CB 4.02Å; D182-R185 PolarHBondContact O-N 2.86Å; D182-R185 WeakPolarHBondContact OD1-CB 3.4Å; D182-R185 PolarHBondContact OD1-N 2.82Å; D182-R185 VanDerWaalsContact OD2-CB 3.28Å; D182-R185 WeakPolarHBondContact OD2-CB 3.19Å; R185-V187 PolarHBondContact O-N 3.36Å; R185-Y188 WeakPolarHBondContact O-CB 3.47Å; R185-Y188 PolarHBondContact O-N 3.08Å; R185-Y188 VanDerWaalsContact O-N 3.13Å; R185-E189 HydrophobicContact CG-CG 4.26Å; R185-E189 IonicContact CZ-OE1 3.63Å; R185-E189 VanDerWaalsContact CZ-OE1 3.29Å; R185-E189 IonicContact NE-OE1 3.07Å; R185-E189 PolarHBondContact NE-OE1 3.03Å; R185-E189 IonicContact NE-OE2 3.32Å; R185-E189 IonicContact NH2-OE1 3.29Å; R185-E189 PolarHBondContact NH2-OE1 3.17Å; R185-E189 WeakPolarHBondContact O-CG 3.4Å; R185-E189 PolarHBondContact O-N 3.29Å |
| 186 | Y | 97.7 | Very high | 95.3 | Very high | 24 Ų | 24 | 72 Ų | 72 | 9% | 0.094 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 178.3 | -176.9 | -97.2 | 0 | 0 | 0 | 112.4 | L150 E151 F153 S154 D182 P183 F184 Y188 E189 N190 V193 | L150-Y186 HydrophobicContact CD1-CD1 4.48Å; L150-Y186 HydrophobicContact CD1-CE1 4.27Å; L150-Y186 HydrophobicContact CD2-CD1 3.85Å; L150-Y186 HydrophobicContact CD2-CE1 4.44Å; L150-Y186 HydrophobicContact CG-CD1 3.68Å; L150-Y186 HydrophobicContact CG-CE1 3.79Å; L150-Y186 VanDerWaalsContact O-CE1 3.22Å; L150-Y186 WeakPolarHBondContact O-CE1 3.19Å; L150-Y186 PolarHBondContact O-OH 3.06Å; E151-Y186 HydrophobicContact CB-CD2 4.25Å; E151-Y186 HydrophobicContact CB-CE2 4.3Å; E151-Y186 HydrophobicContact CG-CD1 4.44Å; E151-Y186 HydrophobicContact CG-CD2 3.85Å; E151-Y186 HydrophobicContact CG-CE2 4.39Å; E151-Y186 HydrophobicContact CG-CG 3.88Å; F153-Y186 WeakPolarHBondContact CB-OH 3.27Å; S154-Y186 PolarHBondContact N-OH 3.09Å; S154-Y186 VanDerWaalsContact OG-CE2 3.25Å; S154-Y186 WeakPolarHBondContact OG-CE2 3.32Å; S154-Y186 PolarHBondContact OG-OH 3.06Å; D182-Y186 PolarHBondContact O-N 3.25Å; P183-Y186 PolarHBondContact O-N 3.3Å; F184-Y186 VanDerWaalsContact C-N 3.32Å; Y186-Y188 VanDerWaalsContact C-N 3.27Å; Y186-Y188 PolarHBondContact O-N 3.49Å; Y186-E189 PolarHBondContact O-N 3.14Å; Y186-N190 HydrophobicContact CE1-CB 4.29Å; Y186-N190 WeakPolarHBondContact O-CB 3.22Å; Y186-N190 PolarHBondContact O-N 3.01Å; Y186-N190 PolarHBondContact OH-ND2 3.4Å; Y186-N190 VanDerWaalsContact OH-ND2 3.14Å; Y186-V193 HydrophobicContact CE1-CG2 4.1Å |
| 187 | V | 97.9 | Very high | 95.3 | Very high | 12 Ų | 12 | 75.3 Ų | 75.3 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.8 | -39.5 | 174.9 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | L150 P183 F184 R185 V193 Y194 Q197 V200 I202 | L150-V187 HydrophobicContact CD2-CG2 4.02Å; P183-V187 VanDerWaalsContact O-CG2 3.25Å; P183-V187 WeakPolarHBondContact O-CG2 3.32Å; P183-V187 PolarHBondContact O-N 3.3Å; F184-V187 PolarHBondContact O-N 3.12Å; R185-V187 PolarHBondContact O-N 3.36Å; V187-V193 HydrophobicContact CB-CG1 4.18Å; V187-V193 HydrophobicContact CG1-CG1 4.2Å; V187-V193 HydrophobicContact CG2-CG1 3.68Å; V187-Y194 WeakPolarHBondContact O-CA 3.16Å; V187-Y194 VanDerWaalsContact O-CB 3.31Å; V187-Y194 WeakPolarHBondContact O-CB 3.35Å; V187-Y194 PolarHBondContact O-N 3.18Å; V187-Q197 HydrophobicContact CG1-CB 3.66Å; V187-V200 HydrophobicContact CG2-CG1 4.18Å; V187-I202 HydrophobicContact CG2-CD1 3.91Å |
| 188 | Y | 97.7 | Very high | 95.4 | Very high | 175 Ų | 175 | 83 Ų | 83 | 69% | 0.686 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -68.2 | -39.3 | 178.5 | 176.2 | -105.3 | 0 | 0 | 0 | 113.2 | F184 R185 Y186 Y194 | F184-Y188 PolarHBondContact O-N 3.46Å; F184-Y188 VanDerWaalsContact O-N 3.15Å; R185-Y188 WeakPolarHBondContact O-CB 3.47Å; R185-Y188 PolarHBondContact O-N 3.08Å; R185-Y188 VanDerWaalsContact O-N 3.13Å; Y186-Y188 VanDerWaalsContact C-N 3.27Å; Y186-Y188 PolarHBondContact O-N 3.49Å; Y188-Y194 HydrophobicContact CD2-CE2 4.37Å |
| 189 | E | 97.5 | Very high | 95.8 | Very high | 112 Ų | 112 | 81.6 Ų | 81.6 | 52% | 0.523 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -84.9 | -19.8 | -174.9 | -69 | 179 | 166.8 | 0 | 0 | 113.7 | R185 Y186 | R185-E189 HydrophobicContact CG-CG 4.26Å; R185-E189 IonicContact CZ-OE1 3.63Å; R185-E189 VanDerWaalsContact CZ-OE1 3.29Å; R185-E189 IonicContact NE-OE1 3.07Å; R185-E189 PolarHBondContact NE-OE1 3.03Å; R185-E189 IonicContact NE-OE2 3.32Å; R185-E189 IonicContact NH2-OE1 3.29Å; R185-E189 PolarHBondContact NH2-OE1 3.17Å; R185-E189 WeakPolarHBondContact O-CG 3.4Å; R185-E189 PolarHBondContact O-N 3.29Å; Y186-E189 PolarHBondContact O-N 3.14Å |
| 190 | N | 97.7 | Very high | 96.5 | Very high | 29 Ų | 29 | 78.2 Ų | 78.2 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | trans | -96.9 | 111.7 | 179.4 | -174.8 | -58.8 | 0 | 0 | 0 | 111.9 | S154 Y186 L192 V193 Y194 | S154-N190 PolarHBondContact OG-ND2 3.44Å; Y186-N190 HydrophobicContact CE1-CB 4.29Å; Y186-N190 WeakPolarHBondContact O-CB 3.22Å; Y186-N190 PolarHBondContact O-N 3.01Å; Y186-N190 PolarHBondContact OH-ND2 3.4Å; Y186-N190 VanDerWaalsContact OH-ND2 3.14Å; N190-L192 VanDerWaalsContact C-N 3.3Å; N190-L192 PolarHBondContact O-N 3.37Å; N190-L192 PolarHBondContact OD1-N 2.56Å; N190-V193 HydrophobicContact CB-CB 4.1Å; N190-V193 HydrophobicContact CB-CG2 4.08Å; N190-V193 PolarHBondContact O-N 2.8Å; N190-V193 WeakPolarHBondContact OD1-CG2 3.4Å; N190-V193 PolarHBondContact OD1-N 3.24Å; N190-Y194 VanDerWaalsContact O-CB 3.28Å; N190-Y194 WeakPolarHBondContact O-CB 3.37Å; N190-Y194 PolarHBondContact O-N 3.15Å | ||
| 191 | D | 97.8 | Very high | 97 | Very high | 137 Ų | 137 | 75 Ų | 75 | 73% | 0.733 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -54.1 | -39.6 | -177.2 | -72.3 | -27.1 | 0 | 0 | 0 | 114.7 | R195 | D191-R195 WeakPolarHBondContact O-CB 3.21Å; D191-R195 PolarHBondContact O-N 3.07Å; D191-R195 VanDerWaalsContact O-N 3.12Å |
| 192 | L | 97.9 | Very high | 97.5 | Very high | 27 Ų | 27 | 74.6 Ų | 74.6 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -73 | -45.1 | -177.7 | -178.3 | 63.7 | 0 | 0 | 0 | 110.6 | M164 L168 N190 R195 Y196 | M164-L192 HydrophobicContact CB-CD2 3.63Å; M164-L192 HydrophobicContact CE-CD2 4.34Å; L168-L192 HydrophobicContact CD1-CD2 4.21Å; L168-L192 HydrophobicContact CD1-CG 3.87Å; N190-L192 VanDerWaalsContact C-N 3.3Å; N190-L192 PolarHBondContact O-N 3.37Å; N190-L192 PolarHBondContact OD1-N 2.56Å; L192-R195 WeakPolarHBondContact O-CB 3.2Å; L192-R195 PolarHBondContact O-N 2.71Å; L192-Y196 HydrophobicContact CD1-CD2 4.17Å; L192-Y196 HydrophobicContact CD1-CE2 3.84Å; L192-Y196 WeakPolarHBondContact O-CD2 3.38Å; L192-Y196 PolarHBondContact O-N 3.27Å |
| 193 | V | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 178.7 | -175.4 | 0 | 0 | 0 | 0 | 110.2 | L150 F153 L168 Y186 V187 N190 R195 Y196 Q197 V200 | L150-V193 HydrophobicContact CD1-CG1 4.16Å; L150-V193 HydrophobicContact CD1-CG2 4.4Å; F153-V193 HydrophobicContact CD2-CG2 4.15Å; L168-V193 HydrophobicContact CD1-CG2 4.07Å; L168-V193 HydrophobicContact CD2-CG1 4.42Å; Y186-V193 HydrophobicContact CE1-CG2 4.1Å; V187-V193 HydrophobicContact CB-CG1 4.18Å; V187-V193 HydrophobicContact CG1-CG1 4.2Å; V187-V193 HydrophobicContact CG2-CG1 3.68Å; N190-V193 HydrophobicContact CB-CB 4.1Å; N190-V193 HydrophobicContact CB-CG2 4.08Å; N190-V193 PolarHBondContact O-N 2.8Å; N190-V193 WeakPolarHBondContact OD1-CG2 3.4Å; N190-V193 PolarHBondContact OD1-N 3.24Å; V193-R195 VanDerWaalsContact C-N 3.3Å; V193-R195 PolarHBondContact O-N 3.3Å; V193-Y196 CarbonylContact O-C 3.34Å; V193-Y196 PolarHBondContact O-N 3.41Å; V193-Y196 VanDerWaalsContact O-N 3.08Å; V193-Q197 WeakPolarHBondContact O-CA 3.41Å; V193-Q197 PolarHBondContact O-N 3.13Å; V193-V200 HydrophobicContact CG1-CG2 4.18Å |
| 194 | Y | 98.2 | Very high | 97.6 | Very high | 111 Ų | 111 | 73.3 Ų | 73.3 | 44% | 0.435 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -56.2 | -43.9 | 175.8 | -173.6 | -103.9 | 0 | 0 | 0 | 112.2 | V187 Y188 N190 Y196 Q197 | V187-Y194 WeakPolarHBondContact O-CA 3.16Å; V187-Y194 VanDerWaalsContact O-CB 3.31Å; V187-Y194 WeakPolarHBondContact O-CB 3.35Å; V187-Y194 PolarHBondContact O-N 3.18Å; Y188-Y194 HydrophobicContact CD2-CE2 4.37Å; N190-Y194 VanDerWaalsContact O-CB 3.28Å; N190-Y194 WeakPolarHBondContact O-CB 3.37Å; N190-Y194 PolarHBondContact O-N 3.15Å; Y194-Y196 PolarHBondContact O-N 3.28Å; Y194-Q197 WeakPolarHBondContact O-CB 3.42Å; Y194-Q197 VanDerWaalsContact O-CG 3.25Å; Y194-Q197 WeakPolarHBondContact O-CG 3.34Å; Y194-Q197 PolarHBondContact O-N 2.91Å; Y194-Q197 PolarHBondContact O-NE2 2.79Å |
| 195 | R | 98.4 | Very high | 97.4 | Very high | 176 Ų | 176 | 69.2 Ų | 69.2 | 66% | 0.664 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -55.5 | -36.9 | 177.2 | -179.3 | -178.3 | -62.1 | 173.7 | 2.8 | 112.6 | D191 L192 V193 | D191-R195 WeakPolarHBondContact O-CB 3.21Å; D191-R195 PolarHBondContact O-N 3.07Å; D191-R195 VanDerWaalsContact O-N 3.12Å; L192-R195 WeakPolarHBondContact O-CB 3.2Å; L192-R195 PolarHBondContact O-N 2.71Å; V193-R195 VanDerWaalsContact C-N 3.3Å; V193-R195 PolarHBondContact O-N 3.3Å |
| 196 | Y | 98 | Very high | 97.1 | Very high | 60 Ų | 60 | 72.5 Ų | 72.5 | 24% | 0.235 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | 18.1 | -177.2 | -63.6 | -68.5 | 0 | 0 | 0 | 113.3 | T165 L168 S169 L192 V193 Y194 K198 N199 | T165-Y196 HydrophobicContact CG2-CE2 4.14Å; L168-Y196 HydrophobicContact CB-CD2 3.8Å; L168-Y196 HydrophobicContact CB-CG 3.92Å; L168-Y196 HydrophobicContact CD1-CD2 4.4Å; S169-Y196 VanDerWaalsContact CB-CE1 3.47Å; L192-Y196 HydrophobicContact CD1-CD2 4.17Å; L192-Y196 HydrophobicContact CD1-CE2 3.84Å; L192-Y196 WeakPolarHBondContact O-CD2 3.38Å; L192-Y196 PolarHBondContact O-N 3.27Å; V193-Y196 CarbonylContact O-C 3.34Å; V193-Y196 PolarHBondContact O-N 3.41Å; V193-Y196 VanDerWaalsContact O-N 3.08Å; Y194-Y196 PolarHBondContact O-N 3.28Å; Y196-K198 PolarHBondContact O-N 3.3Å; Y196-N199 WeakPolarHBondContact O-CB 3.43Å; Y196-N199 PolarHBondContact O-N 3.09Å |
| 197 | Q | 97.9 | Very high | 96.8 | Very high | 78 Ų | 78 | 76.3 Ų | 76.3 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -55.8 | -25.8 | -171.9 | 66.3 | -172.6 | -40.9 | 0 | 0 | 114.7 | V187 V193 Y194 N199 V200 | V187-Q197 HydrophobicContact CG1-CB 3.66Å; V193-Q197 WeakPolarHBondContact O-CA 3.41Å; V193-Q197 PolarHBondContact O-N 3.13Å; Y194-Q197 WeakPolarHBondContact O-CB 3.42Å; Y194-Q197 VanDerWaalsContact O-CG 3.25Å; Y194-Q197 WeakPolarHBondContact O-CG 3.34Å; Y194-Q197 PolarHBondContact O-N 2.91Å; Y194-Q197 PolarHBondContact O-NE2 2.79Å; Q197-N199 PolarHBondContact O-N 2.9Å; Q197-V200 PolarHBondContact O-N 3.09Å |
| 198 | K | 96.8 | Very high | 96.3 | Very high | 186 Ų | 186 | 81.2 Ų | 81.2 | 81% | 0.809 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -63.8 | -22.9 | 175.7 | -67.1 | -174.3 | 177.7 | -177.1 | 0 | 113.4 | Y196 | Y196-K198 PolarHBondContact O-N 3.3Š|
| 199 | N | 96.9 | Very high | 95.7 | Very high | 44 Ų | 44 | 74.6 Ų | 74.6 | 24% | 0.235 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -96.5 | 5.8 | 176.4 | -64.4 | -9.5 | 0 | 0 | 0 | 112.2 | L168 S169 G172 M173 Y196 Q197 | L168-N199 WeakPolarHBondContact O-CB 3.35Å; L168-N199 PolarHBondContact O-ND2 3.05Å; S169-N199 PolarHBondContact O-ND2 3.21Å; G172-N199 CarbonylContact C-O 3.26Å; G172-N199 WeakPolarHBondContact CA-O 3.3Å; M173-N199 PolarHBondContact N-O 3.35Å; Y196-N199 WeakPolarHBondContact O-CB 3.43Å; Y196-N199 PolarHBondContact O-N 3.09Å; Q197-N199 PolarHBondContact O-N 2.9Å |
| 200 | V | 98.4 | Very high | 95.2 | Very high | 13 Ų | 13 | 73.7 Ų | 73.7 | 8% | 0.079 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 99.1 | 179.3 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | L150 L168 V175 V187 V193 Q197 I202 | L150-V200 HydrophobicContact CD2-CG1 4.36Å; L168-V200 HydrophobicContact CD2-CG2 3.55Å; V175-V200 HydrophobicContact CG2-CG1 4.04Å; V187-V200 HydrophobicContact CG2-CG1 4.18Å; V193-V200 HydrophobicContact CG1-CG2 4.18Å; Q197-V200 PolarHBondContact O-N 3.09Å; V200-I202 HydrophobicContact CG1-CG1 4.43Å; V200-I202 PolarHBondContact O-N 2.88Å |
| 201 | H | 98.5 | Very high | 95 | Very high | 23 Ų | 23 | 74 Ų | 74 | 11% | 0.106 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 100.4 | -179 | -58.1 | -76.5 | 0 | 0 | 0 | 109.6 | Y33 L34 F40 M173 V174 V175 | Y33-H201 HydrophobicContact CD1-CB 4.46Å; Y33-H201 HydrophobicContact CE1-CB 3.92Å; L34-H201 HydrophobicContact CD2-CB 4.24Å; F40-H201 AromaticContact CE2-NE2 3.99Å; M173-H201 PolarHBondContact O-N 2.92Å; V174-H201 CarbonylContact C-O 3.54Å; V174-H201 WeakPolarHBondContact CA-O 3.45Å; V174-H201 HydrophobicContact CG1-CB 4.45Å; V174-H201 HydrophobicContact CG2-CB 4.4Å; V175-H201 PolarHBondContact N-O 3.39Å |
| 202 | I | 98.2 | Very high | 94.9 | Very high | 17 Ų | 17 | 69.7 Ų | 69.7 | 9% | 0.087 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124.6 | 174.7 | -59.4 | 169.5 | 0 | 0 | 0 | 108.9 | V175 T177 P183 F184 V187 V200 | V175-I202 WeakPolarHBondContact O-CA 3.28Å; T177-I202 HydrophobicContact CG2-CG2 3.9Å; P183-I202 HydrophobicContact CB-CD1 4.01Å; P183-I202 HydrophobicContact CB-CG1 4.27Å; P183-I202 HydrophobicContact CB-CG2 4.28Å; P183-I202 HydrophobicContact CG-CD1 4.44Å; P183-I202 HydrophobicContact CG-CG2 3.74Å; F184-I202 HydrophobicContact CB-CD1 4.38Å; F184-I202 HydrophobicContact CD1-CD1 3.57Å; F184-I202 HydrophobicContact CD2-CD1 4.33Å; F184-I202 HydrophobicContact CD2-CG2 4.08Å; F184-I202 HydrophobicContact CE1-CB 3.92Å; F184-I202 HydrophobicContact CE1-CD1 3.83Å; F184-I202 HydrophobicContact CE1-CG1 4.47Å; F184-I202 HydrophobicContact CE1-CG2 4.03Å; F184-I202 HydrophobicContact CE2-CB 4.29Å; F184-I202 HydrophobicContact CE2-CG2 3.47Å; F184-I202 VanDerWaalsContact CE2-CG2 3.47Å; F184-I202 HydrophobicContact CG-CD1 3.84Å; F184-I202 HydrophobicContact CZ-CB 3.78Å; F184-I202 HydrophobicContact CZ-CD1 4.32Å; F184-I202 HydrophobicContact CZ-CG2 3.44Å; F184-I202 VanDerWaalsContact CZ-CG2 3.44Å; V187-I202 HydrophobicContact CG2-CD1 3.91Å; V200-I202 HydrophobicContact CG1-CG1 4.43Å; V200-I202 PolarHBondContact O-N 2.88Å |
| 203 | V | 97.7 | Very high | 94.8 | Very high | 5 Ų | 5 | 69.2 Ų | 69.2 | 3% | 0.03 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.9 | -177.9 | -169.9 | 0 | 0 | 0 | 0 | 109.7 | I29 Y33 V174 V175 I176 T177 E205 | I29-V203 HydrophobicContact CG2-CG1 3.44Å; I29-V203 VanDerWaalsContact CG2-CG1 3.44Å; Y33-V203 HydrophobicContact CD1-CG2 3.65Å; Y33-V203 HydrophobicContact CD2-CG1 4.05Å; Y33-V203 HydrophobicContact CD2-CG2 4.06Å; Y33-V203 HydrophobicContact CE1-CG2 4.22Å; Y33-V203 HydrophobicContact CG-CB 4.38Å; Y33-V203 HydrophobicContact CG-CG1 3.99Å; Y33-V203 HydrophobicContact CG-CG2 3.57Å; V174-V203 HydrophobicContact CG1-CG2 3.57Å; V175-V203 PolarHBondContact O-N 3.33Å; I176-V203 WeakPolarHBondContact CA-O 3.42Å; I176-V203 HydrophobicContact CD1-CB 3.83Å; I176-V203 HydrophobicContact CD1-CG1 4.35Å; I176-V203 HydrophobicContact CD1-CG2 4.36Å; T177-V203 PolarHBondContact N-O 2.99Å; V203-E205 PolarHBondContact O-N 3.23Å |
| 204 | T | 94.7 | Very high | 94.7 | Very high | 49 Ų | 49 | 72.3 Ų | 72.3 | 30% | 0.301 | 35% | 0.345 | S | S | . | . | trans | -76.5 | 118.7 | 179.1 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | T177 W206 | T177-T204 WeakPolarHBondContact OG1-CA 3.15Å; T204-W206 HydrophobicContact CG2-CD2 3.81Å; T204-W206 HydrophobicContact CG2-CE3 4.07Å; T204-W206 HydrophobicContact CG2-CG 4.37Å; T204-W206 HydrophobicContact CG2-CH2 4.08Å; T204-W206 HydrophobicContact CG2-CZ2 3.8Å; T204-W206 HydrophobicContact CG2-CZ3 4.2Å | ||
| 205 | E | 92 | Very high | 94.6 | Very high | 29 Ų | 29 | 68.5 Ų | 68.5 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | trans | -86.8 | 111.3 | 164.4 | 173.9 | 57.7 | -74 | 0 | 0 | 108.8 | R25 I29 I176 T177 V203 I207 | R25-E205 IonicContact CZ-OE2 3.66Å; R25-E205 IonicContact NE-OE2 2.66Å; R25-E205 PolarHBondContact NE-OE2 3.04Å; R25-E205 IonicContact NH2-OE1 3.47Å; R25-E205 PolarHBondContact NH2-OE1 3.3Å; R25-E205 IonicContact NH2-OE2 3.95Å; R25-E205 PolarHBondContact NH2-OE2 2.71Å; I29-E205 HydrophobicContact CD1-CB 4.03Å; I29-E205 HydrophobicContact CD1-CG 4.05Å; I29-E205 WeakPolarHBondContact CD1-OE2 3.35Å; I176-E205 HydrophobicContact CG2-CB 3.85Å; T177-E205 PolarHBondContact OG1-N 3.19Å; V203-E205 PolarHBondContact O-N 3.23Å; E205-I207 WeakPolarHBondContact CG-O 3.48Å; E205-I207 WeakPolarHBondContact OE1-CB 3.32Å; E205-I207 PolarHBondContact OE1-N 3.02Å | ||
| 206 | W | 91.3 | Very high | 94.5 | Very high | 215 Ų | 215 | 60.2 Ų | 60.2 | 81% | 0.814 | 31% | 0.305 | S | S | * | . | trans | -80.7 | -19.8 | -178.7 | -61.6 | 101 | 0 | 0 | 0 | 112.8 | T204 P208 | T204-W206 HydrophobicContact CG2-CD2 3.81Å; T204-W206 HydrophobicContact CG2-CE3 4.07Å; T204-W206 HydrophobicContact CG2-CG 4.37Å; T204-W206 HydrophobicContact CG2-CH2 4.08Å; T204-W206 HydrophobicContact CG2-CZ2 3.8Å; T204-W206 HydrophobicContact CG2-CZ3 4.2Å; W206-P208 WeakPolarHBondContact O-CD 3.46Å | ||
| 207 | I | 91 | Very high | 94.5 | Very high | 104 Ų | 104 | 57.8 Ų | 57.8 | 53% | 0.533 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -94.5 | 110.5 | 179.1 | -57.6 | 174.3 | 0 | 0 | 0 | 108.5 | E205 N209 | E205-I207 WeakPolarHBondContact CG-O 3.48Å; E205-I207 WeakPolarHBondContact OE1-CB 3.32Å; E205-I207 PolarHBondContact OE1-N 3.02Å; I207-N209 PolarHBondContact O-N 3.32Å; I207-N209 VanDerWaalsContact O-N 3.08Å |
| 208 | P | 86.8 | Confident | 94.4 | Very high | 115 Ų | 115 | 59.1 Ų | 59.1 | 75% | 0.747 | 30% | 0.297 | S | S | * | . | trans | -57.3 | 119.3 | 179.4 | -24.3 | 34.6 | 0 | 0 | 0 | 111.4 | W206 | W206-P208 WeakPolarHBondContact O-CD 3.46Š| ||
| 209 | N | 85 | Confident | 94.4 | Very high | 36 Ų | 36 | 51.3 Ų | 51.3 | 19% | 0.193 | 27% | 0.267 | C | S | . | . | trans | -140.5 | 97.4 | -178.9 | -172.7 | -13.3 | 0 | 0 | 0 | 111.2 | L22 I207 I211 | L22-N209 HydrophobicContact CD1-CB 4.03Å; I207-N209 PolarHBondContact O-N 3.32Å; I207-N209 VanDerWaalsContact O-N 3.08Å; N209-I211 WeakPolarHBondContact OD1-CB 3.32Å; N209-I211 WeakPolarHBondContact OD1-CD1 3.45Å; N209-I211 WeakPolarHBondContact OD1-CG1 3.38Å; N209-I211 PolarHBondContact OD1-N 3.31Å | ||
| 210 | E | 88.7 | Confident | 94.4 | Very high | 93 Ų | 93 | 50.6 Ų | 50.6 | 44% | 0.435 | 26% | 0.263 | S | S | . | . | trans | -103.3 | 26.1 | -177.7 | -62.7 | -57.2 | 155.5 | 0 | 0 | 113.4 | R178 S179 S212 | R178-E210 IonicContact CZ-OE2 3.31Å; R178-E210 IonicContact NE-OE2 3.46Å; R178-E210 IonicContact NH2-OE2 2.74Å; R178-E210 PolarHBondContact NH2-OE2 3.22Å; R178-E210 VanDerWaalsContact NH2-OE2 3.08Å; S179-E210 WeakPolarHBondContact CB-OE1 3.22Å; S179-E210 PolarHBondContact N-OE1 3.15Å; S179-E210 PolarHBondContact OG-OE1 3Å; E210-S212 PolarHBondContact O-N 3.08Å | ||
| 211 | I | 93.6 | Very high | 94.3 | Very high | 36 Ų | 36 | 53.1 Ų | 53.1 | 19% | 0.185 | 27% | 0.271 | C | S | . | . | trans | -63.7 | 122.8 | 176.9 | -62.1 | 170.8 | 0 | 0 | 0 | 109.3 | T20 L22 N209 I216 L229 | T20-I211 HydrophobicContact CG2-CG2 4.13Å; L22-I211 HydrophobicContact CB-CB 4.18Å; L22-I211 WeakPolarHBondContact CD2-O 3.49Å; N209-I211 WeakPolarHBondContact OD1-CB 3.32Å; N209-I211 WeakPolarHBondContact OD1-CD1 3.45Å; N209-I211 WeakPolarHBondContact OD1-CG1 3.38Å; N209-I211 PolarHBondContact OD1-N 3.31Å; I211-I216 HydrophobicContact CG2-CD1 3.78Å; I211-L229 HydrophobicContact CD1-CD2 3.87Å; I211-L229 HydrophobicContact CG1-CD2 4.09Å; I211-L229 HydrophobicContact CG2-CB 4.33Å | ||
| 212 | S | 94.3 | Very high | 94.2 | Very high | 47 Ų | 47 | 60.7 Ų | 60.7 | 33% | 0.329 | 30% | 0.299 | S | S | . | . | trans | -126.3 | 143.9 | 174.4 | 67.8 | 0 | 0 | 0 | 0 | 111.7 | E210 T214 A215 I216 | E210-S212 PolarHBondContact O-N 3.08Å; S212-T214 PolarHBondContact O-N 3.06Å; S212-A215 PolarHBondContact O-N 3.05Å; S212-A215 WeakPolarHBondContact OG-CB 3.31Å; S212-A215 PolarHBondContact OG-N 3.38Å; S212-I216 PolarHBondContact O-N 2.76Å | ||
| 213 | S | 96.7 | Very high | 94 | Very high | 17 Ų | 17 | 69.5 Ų | 69.5 | 12% | 0.119 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.2 | -32.4 | 175.8 | -50.4 | 0 | 0 | 0 | 0 | 112 | N17 P18 I216 R217 | N17-S213 WeakPolarHBondContact O-CB 3.26Å; P18-S213 WeakPolarHBondContact O-CB 3.41Å; P18-S213 PolarHBondContact O-OG 3.34Å; S213-I216 PolarHBondContact O-N 2.93Å; S213-R217 WeakPolarHBondContact O-CG 3.17Å; S213-R217 PolarHBondContact O-N 3.34Å; S213-R217 PolarHBondContact O-NH1 3.32Å |
| 214 | T | 95.5 | Very high | 94 | Very high | 65 Ų | 65 | 71.6 Ų | 71.6 | 40% | 0.399 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.7 | -40.9 | 176.1 | -61.6 | 0 | 0 | 0 | 0 | 112.1 | S212 R217 R218 | S212-T214 PolarHBondContact O-N 3.06Å; T214-R217 PolarHBondContact OG1-NH2 2.85Å; T214-R218 WeakPolarHBondContact O-CB 3.32Å; T214-R218 PolarHBondContact O-N 3.44Å; T214-R218 VanDerWaalsContact O-N 3.09Å |
| 215 | A | 96.3 | Very high | 94.1 | Very high | 31 Ų | 31 | 74 Ų | 74 | 26% | 0.256 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S212 R218 A219 | S212-A215 PolarHBondContact O-N 3.05Å; S212-A215 WeakPolarHBondContact OG-CB 3.31Å; S212-A215 PolarHBondContact OG-N 3.38Å; A215-R218 PolarHBondContact O-N 2.99Å; A215-A219 WeakPolarHBondContact O-CB 3.28Å; A215-A219 PolarHBondContact O-N 3.42Å |
| 216 | I | 97.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 72.7 Ų | 72.7 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.9 | -50.6 | 176 | -70.5 | 163.7 | 0 | 0 | 0 | 111.2 | P18 T20 I211 S212 S213 R218 A219 L220 V226 L229 V230 | P18-I216 HydrophobicContact CG-CG2 3.74Å; T20-I216 HydrophobicContact CG2-CD1 3.32Å; I211-I216 HydrophobicContact CG2-CD1 3.78Å; S212-I216 PolarHBondContact O-N 2.76Å; S213-I216 PolarHBondContact O-N 2.93Å; I216-R218 VanDerWaalsContact C-N 3.25Å; I216-R218 PolarHBondContact O-N 3Å; I216-A219 PolarHBondContact O-N 3.36Å; I216-A219 VanDerWaalsContact O-N 3.09Å; I216-L220 HydrophobicContact CG2-CD1 3.98Å; I216-L220 HydrophobicContact CG2-CG 4.47Å; I216-L220 WeakPolarHBondContact O-CG 3.49Å; I216-L220 PolarHBondContact O-N 3.22Å; I216-V226 HydrophobicContact CG2-CB 4.23Å; I216-V226 HydrophobicContact CG2-CG1 4.11Å; I216-V226 HydrophobicContact CG2-CG2 4.29Å; I216-L229 HydrophobicContact CD1-CB 4.08Å; I216-L229 HydrophobicContact CG1-CB 4.19Å; I216-L229 HydrophobicContact CG1-CD1 4.24Å; I216-V230 HydrophobicContact CD1-CG1 3.81Å; I216-V230 HydrophobicContact CG2-CG1 4.36Å |
| 217 | R | 97.2 | Very high | 94.7 | Very high | 9 Ų | 9 | 68.5 Ų | 68.5 | 3% | 0.034 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.1 | -40.6 | 176.1 | -68.6 | -165.1 | -54.9 | -71 | -3.3 | 111.6 | N17 S213 T214 L220 R221 Y244 | N17-R217 WeakPolarHBondContact O-CD 3.33Å; N17-R217 PolarHBondContact O-NH1 3.24Å; S213-R217 WeakPolarHBondContact O-CG 3.17Å; S213-R217 PolarHBondContact O-N 3.34Å; S213-R217 PolarHBondContact O-NH1 3.32Å; T214-R217 PolarHBondContact OG1-NH2 2.85Å; R217-L220 PolarHBondContact O-N 2.87Å; R217-R221 WeakPolarHBondContact O-CG 3.1Å; R217-R221 PolarHBondContact O-N 2.88Å; R217-R221 VanDerWaalsContact O-N 3.09Å; R217-Y244 HydrophobicContact CB-CD1 4.45Å; R217-Y244 VanDerWaalsContact CD-CE1 3.43Å; R217-Y244 HydrophobicContact CG-CD1 3.54Å; R217-Y244 HydrophobicContact CG-CD2 4.47Å; R217-Y244 HydrophobicContact CG-CE1 3.85Å; R217-Y244 HydrophobicContact CG-CG 3.86Å |
| 218 | R | 96.4 | Very high | 94.9 | Very high | 106 Ų | 106 | 71.8 Ų | 71.8 | 40% | 0.4 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 176 | -179.8 | 172.7 | 62.1 | -127.6 | -0.6 | 112.7 | T214 A215 I216 R222 | T214-R218 WeakPolarHBondContact O-CB 3.32Å; T214-R218 PolarHBondContact O-N 3.44Å; T214-R218 VanDerWaalsContact O-N 3.09Å; A215-R218 PolarHBondContact O-N 2.99Å; I216-R218 VanDerWaalsContact C-N 3.25Å; I216-R218 PolarHBondContact O-N 3Å; R218-R222 VanDerWaalsContact O-CG 3.28Å; R218-R222 WeakPolarHBondContact O-CG 3.47Å; R218-R222 PolarHBondContact O-N 3.36Å |
| 219 | A | 96.9 | Very high | 95.5 | Very high | 22 Ų | 22 | 69.2 Ų | 69.2 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A215 I216 R221 R222 K223 A224 V226 | A215-A219 WeakPolarHBondContact O-CB 3.28Å; A215-A219 PolarHBondContact O-N 3.42Å; I216-A219 PolarHBondContact O-N 3.36Å; I216-A219 VanDerWaalsContact O-N 3.09Å; A219-R221 PolarHBondContact O-N 3.09Å; A219-R222 CarbonylContact O-C 3.58Å; A219-R222 WeakPolarHBondContact O-CA 3.44Å; A219-R222 WeakPolarHBondContact O-CB 3.25Å; A219-R222 PolarHBondContact O-N 2.98Å; A219-K223 PolarHBondContact O-N 2.92Å; A219-A224 HydrophobicContact CB-CB 4.21Å; A219-A224 PolarHBondContact O-N 2.73Å; A219-V226 HydrophobicContact CB-CG1 3.55Å |
| 220 | L | 96.7 | Very high | 96.1 | Very high | 30 Ų | 30 | 67.6 Ų | 67.6 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.9 | -46.3 | 175.4 | -71.9 | 169.4 | 0 | 0 | 0 | 112.3 | I216 R217 R222 K223 V226 I238 Y244 | I216-L220 HydrophobicContact CG2-CD1 3.98Å; I216-L220 HydrophobicContact CG2-CG 4.47Å; I216-L220 WeakPolarHBondContact O-CG 3.49Å; I216-L220 PolarHBondContact O-N 3.22Å; R217-L220 PolarHBondContact O-N 2.87Å; L220-R222 PolarHBondContact O-N 3.34Å; L220-K223 WeakPolarHBondContact O-CA 3.22Å; L220-K223 PolarHBondContact O-N 3.17Å; L220-V226 HydrophobicContact CD1-CG2 4.5Å; L220-V226 HydrophobicContact CD2-CG1 4.24Å; L220-V226 HydrophobicContact CD2-CG2 3.65Å; L220-V226 HydrophobicContact CG-CG1 4.03Å; L220-V226 HydrophobicContact CG-CG2 4.07Å; L220-I238 HydrophobicContact CD1-CD1 4.37Å; L220-I238 HydrophobicContact CD1-CG2 3.96Å; L220-I238 HydrophobicContact CD2-CG2 4.36Å; L220-Y244 HydrophobicContact CD1-CD2 3.58Å; L220-Y244 HydrophobicContact CD1-CE2 4.48Å; L220-Y244 HydrophobicContact CD1-CG 4.14Å |
| 221 | R | 95.8 | Very high | 96.5 | Very high | 65 Ų | 65 | 64.6 Ų | 64.6 | 25% | 0.245 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.3 | -31.7 | 174.3 | -71.2 | -174.7 | -63.6 | -119.1 | 0.5 | 113.5 | D58 R217 A219 K223 Y244 S247 | D58-R221 IonicContact OD2-CZ 2.91Å; D58-R221 IonicContact OD2-NH1 2.94Å; D58-R221 PolarHBondContact OD2-NH1 2.76Å; R217-R221 WeakPolarHBondContact O-CG 3.1Å; R217-R221 PolarHBondContact O-N 2.88Å; R217-R221 VanDerWaalsContact O-N 3.09Å; A219-R221 PolarHBondContact O-N 3.09Å; R221-K223 PolarHBondContact O-N 3.26Å; R221-Y244 WeakPolarHBondContact CG-O 3.45Å; R221-S247 VanDerWaalsContact CD-CB 3.45Å; R221-S247 WeakPolarHBondContact CD-O 3.38Å; R221-S247 WeakPolarHBondContact CD-OG 3.31Å; R221-S247 PolarHBondContact NH1-OG 3.49Å |
| 222 | R | 95.6 | Very high | 96.7 | Very high | 182 Ų | 182 | 66.8 Ų | 66.8 | 69% | 0.687 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 6.2 | 175.7 | -67.4 | 172.1 | 179.3 | -177.3 | -3.9 | 113 | R218 A219 L220 A224 | R218-R222 VanDerWaalsContact O-CG 3.28Å; R218-R222 WeakPolarHBondContact O-CG 3.47Å; R218-R222 PolarHBondContact O-N 3.36Å; A219-R222 CarbonylContact O-C 3.58Å; A219-R222 WeakPolarHBondContact O-CA 3.44Å; A219-R222 WeakPolarHBondContact O-CB 3.25Å; A219-R222 PolarHBondContact O-N 2.98Å; L220-R222 PolarHBondContact O-N 3.34Å; R222-A224 PolarHBondContact O-N 3.43Å; R222-A224 VanDerWaalsContact O-N 3.16Å |
| 223 | K | 95.3 | Very high | 96.9 | Very high | 203 Ų | 203 | 66 Ų | 66 | 88% | 0.883 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 28.6 | -175.5 | -53.9 | 179.8 | 180 | 179.5 | 0 | 112.8 | A219 L220 R221 | A219-K223 PolarHBondContact O-N 2.92Å; L220-K223 WeakPolarHBondContact O-CA 3.22Å; L220-K223 PolarHBondContact O-N 3.17Å; R221-K223 PolarHBondContact O-N 3.26Å |
| 224 | A | 96.8 | Very high | 97 | Very high | 48 Ų | 48 | 65.2 Ų | 65.2 | 40% | 0.397 | 32% | 0.321 | S | S | . | . | trans | -88.8 | 146.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | A219 R222 V226 | A219-A224 HydrophobicContact CB-CB 4.21Å; A219-A224 PolarHBondContact O-N 2.73Å; R222-A224 PolarHBondContact O-N 3.43Å; R222-A224 VanDerWaalsContact O-N 3.16Å; A224-V226 PolarHBondContact O-N 3.04Å | ||
| 225 | S | 97.1 | Very high | 97.1 | Very high | 99 Ų | 99 | 62.6 Ų | 62.6 | 69% | 0.692 | 30% | 0.304 | S | S | * | . | trans | -63.6 | 136.2 | 176.3 | -177.6 | 0 | 0 | 0 | 0 | 111 | R227 | S225-R227 PolarHBondContact OG-N 3.45Š| ||
| 226 | V | 97.7 | Very high | 97.2 | Very high | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | trans | -118 | 11.5 | 169.8 | -57.7 | 0 | 0 | 0 | 0 | 111.9 | I216 A219 L220 A224 Y228 L229 V230 L235 | I216-V226 HydrophobicContact CG2-CB 4.23Å; I216-V226 HydrophobicContact CG2-CG1 4.11Å; I216-V226 HydrophobicContact CG2-CG2 4.29Å; A219-V226 HydrophobicContact CB-CG1 3.55Å; L220-V226 HydrophobicContact CD1-CG2 4.5Å; L220-V226 HydrophobicContact CD2-CG1 4.24Å; L220-V226 HydrophobicContact CD2-CG2 3.65Å; L220-V226 HydrophobicContact CG-CG1 4.03Å; L220-V226 HydrophobicContact CG-CG2 4.07Å; A224-V226 PolarHBondContact O-N 3.04Å; V226-Y228 PolarHBondContact O-N 3.5Å; V226-L229 HydrophobicContact CB-CD1 4.28Å; V226-L229 WeakPolarHBondContact O-CB 3.41Å; V226-L229 PolarHBondContact O-N 2.93Å; V226-V230 HydrophobicContact CG2-CG2 4.42Å; V226-L235 HydrophobicContact CG2-CD1 3.8Å | ||
| 227 | R | 97.7 | Very high | 97.3 | Very high | 127 Ų | 127 | 69.4 Ų | 69.4 | 48% | 0.479 | 33% | 0.329 | S | S | . | . | B | Isolated β-bridge | trans | -55 | 137.8 | 175 | -174.7 | 174.8 | -72.9 | 155 | 0.5 | 109.3 | S225 L229 L235 | S225-R227 PolarHBondContact OG-N 3.45Å; R227-L229 PolarHBondContact O-N 3.46Å; R227-L235 HydrophobicContact CB-CD2 3.96Å; R227-L235 HydrophobicContact CG-CD2 4.4Å |
| 228 | Y | 96.1 | Very high | 97.3 | Very high | 173 Ų | 173 | 69.1 Ų | 69.1 | 68% | 0.678 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 10.8 | -174.1 | -38.1 | -55.3 | 0 | 0 | 0 | 115.7 | I21 V226 | I21-Y228 VanDerWaalsContact CD1-O 3.3Å; I21-Y228 WeakPolarHBondContact CD1-O 3.21Å; V226-Y228 PolarHBondContact O-N 3.5Å |
| 229 | L | 97.8 | Very high | 97.4 | Very high | 62 Ų | 62 | 70 Ų | 70 | 33% | 0.325 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -21.2 | 162.7 | -51.9 | -178.5 | 0 | 0 | 0 | 111.9 | I21 I211 I216 V226 R227 | I21-L229 PolarHBondContact N-O 3.32Å; I211-L229 HydrophobicContact CD1-CD2 3.87Å; I211-L229 HydrophobicContact CG1-CD2 4.09Å; I211-L229 HydrophobicContact CG2-CB 4.33Å; I216-L229 HydrophobicContact CD1-CB 4.08Å; I216-L229 HydrophobicContact CG1-CB 4.19Å; I216-L229 HydrophobicContact CG1-CD1 4.24Å; V226-L229 HydrophobicContact CB-CD1 4.28Å; V226-L229 WeakPolarHBondContact O-CB 3.41Å; V226-L229 PolarHBondContact O-N 2.93Å; R227-L229 PolarHBondContact O-N 3.46Å |
| 230 | V | 98.2 | Very high | 97.4 | Very high | 2 Ų | 2 | 72.9 Ų | 72.9 | 1% | 0.012 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -130.4 | 165 | 172.6 | -58.3 | 0 | 0 | 0 | 0 | 108.3 | P18 P19 I216 V226 V234 L235 | P18-V230 HydrophobicContact CG-CG1 4.24Å; P19-V230 WeakPolarHBondContact O-CG1 3.24Å; I216-V230 HydrophobicContact CD1-CG1 3.81Å; I216-V230 HydrophobicContact CG2-CG1 4.36Å; V226-V230 HydrophobicContact CG2-CG2 4.42Å; V230-V234 HydrophobicContact CB-CB 4.32Å; V230-V234 HydrophobicContact CB-CG1 4.05Å; V230-V234 HydrophobicContact CG1-CG1 4.48Å; V230-V234 HydrophobicContact CG2-CG1 4.31Å; V230-L235 HydrophobicContact CG2-CB 3.97Å |
| 231 | S | 97.6 | Very high | 97.5 | Very high | 30 Ų | 30 | 74.6 Ų | 74.6 | 21% | 0.21 | 37% | 0.37 | C | S | . | . | trans | -67.2 | 152.3 | 172.2 | 66.3 | 0 | 0 | 0 | 0 | 110.9 | A233 V234 L235 | S231-A233 VanDerWaalsContact C-N 3.26Å; S231-A233 PolarHBondContact O-N 3.16Å; S231-V234 WeakPolarHBondContact O-CB 3.4Å; S231-V234 PolarHBondContact O-N 2.74Å; S231-V234 WeakPolarHBondContact OG-CG2 3.42Å; S231-V234 PolarHBondContact OG-N 2.94Å; S231-L235 PolarHBondContact O-N 2.94Å | ||
| 232 | D | 98.1 | Very high | 97.5 | Very high | 82 Ų | 82 | 79.1 Ų | 79.1 | 44% | 0.439 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59 | -40.7 | 179.3 | -69.5 | -29.2 | 0 | 0 | 0 | 111.4 | V234 L235 E236 | D232-V234 VanDerWaalsContact C-N 3.3Å; D232-V234 PolarHBondContact O-N 2.98Å; D232-L235 WeakPolarHBondContact O-CB 3.48Å; D232-L235 PolarHBondContact O-N 2.99Å; D232-L235 VanDerWaalsContact O-N 3.07Å; D232-E236 WeakPolarHBondContact O-CG 3.1Å; D232-E236 PolarHBondContact O-N 2.96Å |
| 233 | A | 98.3 | Very high | 97.5 | Very high | 30 Ų | 30 | 71.4 Ų | 71.4 | 25% | 0.248 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.8 | -37.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | L71 S231 Y237 | L71-A233 HydrophobicContact CB-CB 4.02Å; L71-A233 HydrophobicContact CD2-CB 4.09Å; S231-A233 VanDerWaalsContact C-N 3.26Å; S231-A233 PolarHBondContact O-N 3.16Å; A233-Y237 WeakPolarHBondContact O-CB 3.48Å; A233-Y237 PolarHBondContact O-N 3.17Å; A233-Y237 VanDerWaalsContact O-N 3.12Å |
| 234 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.5 | -40.1 | 174.6 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | P18 P19 M68 L71 A72 V230 S231 D232 Y237 I238 | P18-V234 HydrophobicContact CB-CG1 4.23Å; P19-V234 HydrophobicContact CG-CG1 4.44Å; P19-V234 HydrophobicContact CG-CG2 4.25Å; M68-V234 HydrophobicContact CB-CG1 4.28Å; M68-V234 HydrophobicContact CB-CG2 4.33Å; M68-V234 HydrophobicContact CG-CG1 4.19Å; M68-V234 WeakPolarHBondContact O-CG2 3.21Å; M68-V234 HydrophobicContact SD-CG1 4.29Å; L71-V234 HydrophobicContact CB-CG2 3.92Å; A72-V234 HydrophobicContact CB-CG2 3.95Å; V230-V234 HydrophobicContact CB-CB 4.32Å; V230-V234 HydrophobicContact CB-CG1 4.05Å; V230-V234 HydrophobicContact CG1-CG1 4.48Å; V230-V234 HydrophobicContact CG2-CG1 4.31Å; S231-V234 WeakPolarHBondContact O-CB 3.4Å; S231-V234 PolarHBondContact O-N 2.74Å; S231-V234 WeakPolarHBondContact OG-CG2 3.42Å; S231-V234 PolarHBondContact OG-N 2.94Å; D232-V234 VanDerWaalsContact C-N 3.3Å; D232-V234 PolarHBondContact O-N 2.98Å; V234-Y237 PolarHBondContact O-N 3.13Å; V234-I238 HydrophobicContact CG1-CD1 3.84Å; V234-I238 HydrophobicContact CG1-CG1 4.42Å; V234-I238 VanDerWaalsContact O-CG1 3.25Å; V234-I238 WeakPolarHBondContact O-CG1 3.4Å; V234-I238 PolarHBondContact O-N 3.12Å |
| 235 | L | 98.3 | Very high | 96.9 | Very high | 10 Ų | 10 | 64.1 Ų | 64.1 | 5% | 0.052 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.3 | -47.5 | 177.2 | 179.5 | 56.8 | 0 | 0 | 0 | 111.4 | V226 R227 V230 S231 D232 Y237 I238 E239 | V226-L235 HydrophobicContact CG2-CD1 3.8Å; R227-L235 HydrophobicContact CB-CD2 3.96Å; R227-L235 HydrophobicContact CG-CD2 4.4Å; V230-L235 HydrophobicContact CG2-CB 3.97Å; S231-L235 PolarHBondContact O-N 2.94Å; D232-L235 WeakPolarHBondContact O-CB 3.48Å; D232-L235 PolarHBondContact O-N 2.99Å; D232-L235 VanDerWaalsContact O-N 3.07Å; L235-Y237 VanDerWaalsContact C-N 3.3Å; L235-Y237 PolarHBondContact O-N 3.5Å; L235-I238 WeakPolarHBondContact O-CB 3.45Å; L235-I238 PolarHBondContact O-N 3.39Å; L235-E239 HydrophobicContact CD1-CG 4.38Å; L235-E239 WeakPolarHBondContact O-CG 3.48Å; L235-E239 PolarHBondContact O-N 3.1Å |
| 236 | E | 98.3 | Very high | 95.9 | Very high | 130 Ų | 130 | 66.4 Ų | 66.4 | 61% | 0.607 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -57.4 | -43.4 | 175.3 | -72 | 172.7 | -172.1 | 0 | 0 | 111.5 | D232 I238 E239 A240 | D232-E236 WeakPolarHBondContact O-CG 3.1Å; D232-E236 PolarHBondContact O-N 2.96Å; E236-I238 PolarHBondContact O-N 3.31Å; E236-E239 PolarHBondContact O-N 3.5Å; E236-A240 VanDerWaalsContact O-CB 3.31Å; E236-A240 WeakPolarHBondContact O-CB 3.44Å; E236-A240 PolarHBondContact O-N 3Å |
| 237 | Y | 98.6 | Very high | 93.9 | Very high | 45 Ų | 45 | 72.6 Ų | 72.6 | 18% | 0.176 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 176.4 | -173.4 | -86.7 | 0 | 0 | 0 | 112.6 | H64 E67 M68 L71 A233 V234 L235 E239 N241 L243 | H64-Y237 HydrophobicContact CB-CE1 4.18Å; H64-Y237 AromaticContact ND1-CE1 3.69Å; H64-Y237 AromaticContact ND1-CZ 3.72Å; H64-Y237 PolarHBondContact ND1-OH 3.11Å; E67-Y237 HydrophobicContact CB-CE2 3.9Å; E67-Y237 HydrophobicContact CG-CD2 3.98Å; E67-Y237 HydrophobicContact CG-CE2 3.4Å; E67-Y237 VanDerWaalsContact CG-CE2 3.4Å; M68-Y237 HydrophobicContact CG-CD1 3.51Å; M68-Y237 HydrophobicContact CG-CE1 3.97Å; M68-Y237 HydrophobicContact CG-CG 4.28Å; M68-Y237 HydrophobicContact SD-CD1 4.3Å; L71-Y237 HydrophobicContact CD1-CD2 3.79Å; L71-Y237 HydrophobicContact CD1-CG 3.9Å; A233-Y237 WeakPolarHBondContact O-CB 3.48Å; A233-Y237 PolarHBondContact O-N 3.17Å; A233-Y237 VanDerWaalsContact O-N 3.12Å; V234-Y237 PolarHBondContact O-N 3.13Å; L235-Y237 VanDerWaalsContact C-N 3.3Å; L235-Y237 PolarHBondContact O-N 3.5Å; Y237-E239 VanDerWaalsContact C-N 3.34Å; Y237-E239 PolarHBondContact O-N 3.05Å; Y237-N241 HydrophobicContact CE1-CB 4.48Å; Y237-N241 WeakPolarHBondContact CE2-ND2 3.42Å; Y237-N241 WeakPolarHBondContact O-CB 3.44Å; Y237-N241 PolarHBondContact O-N 3.35Å; Y237-N241 PolarHBondContact O-ND2 3.07Å; Y237-L243 HydrophobicContact CD1-CD1 4.18Å; Y237-L243 HydrophobicContact CE1-CD1 3.98Å |
| 238 | I | 98.2 | Very high | 93.7 | Very high | 4 Ų | 4 | 69.9 Ų | 69.9 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60 | -45.7 | 177.1 | -73.9 | 168.3 | 0 | 0 | 0 | 110.7 | P18 M68 L220 V234 L235 E236 K242 L243 Y244 | P18-I238 HydrophobicContact CB-CD1 3.86Å; P18-I238 HydrophobicContact CG-CD1 3.97Å; M68-I238 HydrophobicContact SD-CD1 4.13Å; M68-I238 HydrophobicContact SD-CG1 3.69Å; L220-I238 HydrophobicContact CD1-CD1 4.37Å; L220-I238 HydrophobicContact CD1-CG2 3.96Å; L220-I238 HydrophobicContact CD2-CG2 4.36Å; V234-I238 HydrophobicContact CG1-CD1 3.84Å; V234-I238 HydrophobicContact CG1-CG1 4.42Å; V234-I238 VanDerWaalsContact O-CG1 3.25Å; V234-I238 WeakPolarHBondContact O-CG1 3.4Å; V234-I238 PolarHBondContact O-N 3.12Å; L235-I238 WeakPolarHBondContact O-CB 3.45Å; L235-I238 PolarHBondContact O-N 3.39Å; E236-I238 PolarHBondContact O-N 3.31Å; I238-K242 WeakPolarHBondContact O-CA 3.43Å; I238-K242 PolarHBondContact O-N 3.05Å; I238-L243 HydrophobicContact CG2-CB 4.27Å; I238-L243 PolarHBondContact O-N 3.32Å; I238-Y244 HydrophobicContact CD1-CD2 4.24Å; I238-Y244 HydrophobicContact CD1-CE2 3.86Å; I238-Y244 HydrophobicContact CG1-CD2 4.26Å; I238-Y244 HydrophobicContact CG1-CE2 3.88Å; I238-Y244 HydrophobicContact CG2-CD2 3.96Å; I238-Y244 HydrophobicContact CG2-CE2 4.43Å |
| 239 | E | 96.9 | Very high | 93.6 | Very high | 124 Ų | 124 | 64.5 Ų | 64.5 | 58% | 0.579 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66 | -48 | -179.9 | -70.9 | 177 | 178.5 | 0 | 0 | 111.6 | L235 E236 Y237 N241 K242 | L235-E239 HydrophobicContact CD1-CG 4.38Å; L235-E239 WeakPolarHBondContact O-CG 3.48Å; L235-E239 PolarHBondContact O-N 3.1Å; E236-E239 PolarHBondContact O-N 3.5Å; Y237-E239 VanDerWaalsContact C-N 3.34Å; Y237-E239 PolarHBondContact O-N 3.05Å; E239-N241 VanDerWaalsContact C-N 3.28Å; E239-N241 PolarHBondContact O-N 2.86Å; E239-K242 PolarHBondContact O-N 2.88Å; E239-K242 VanDerWaalsContact O-N 3.14Å |
| 240 | A | 98 | Very high | 93.3 | Very high | 82 Ų | 82 | 64.6 Ų | 64.6 | 68% | 0.678 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -59.8 | -38 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E236 | E236-A240 VanDerWaalsContact O-CB 3.31Å; E236-A240 WeakPolarHBondContact O-CB 3.44Å; E236-A240 PolarHBondContact O-N 3Å |
| 241 | N | 97.8 | Very high | 93 | Very high | 67 Ų | 67 | 68.3 Ų | 68.3 | 36% | 0.358 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 4.6 | -179.6 | -67.5 | -85.6 | 0 | 0 | 0 | 113.5 | Y237 E239 L243 | Y237-N241 HydrophobicContact CE1-CB 4.48Å; Y237-N241 WeakPolarHBondContact CE2-ND2 3.42Å; Y237-N241 WeakPolarHBondContact O-CB 3.44Å; Y237-N241 PolarHBondContact O-N 3.35Å; Y237-N241 PolarHBondContact O-ND2 3.07Å; E239-N241 VanDerWaalsContact C-N 3.28Å; E239-N241 PolarHBondContact O-N 2.86Å; N241-L243 HydrophobicContact CB-CD1 4.28Å; N241-L243 HydrophobicContact CB-CD2 4.09Å; N241-L243 HydrophobicContact CB-CG 3.8Å; N241-L243 PolarHBondContact O-N 2.92Å; N241-L243 VanDerWaalsContact O-N 3.13Å |
| 242 | K | 95.7 | Very high | 92.8 | Very high | 160 Ų | 160 | 70.7 Ų | 70.7 | 70% | 0.696 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.3 | 34 | -178.8 | -56.9 | 179.4 | -177.6 | 176 | 0 | 113.5 | I238 E239 T245 | I238-K242 WeakPolarHBondContact O-CA 3.43Å; I238-K242 PolarHBondContact O-N 3.05Å; E239-K242 PolarHBondContact O-N 2.88Å; E239-K242 VanDerWaalsContact O-N 3.14Å; K242-T245 HydrophobicContact CB-CG2 4.34Å; K242-T245 WeakPolarHBondContact O-CG2 3.46Å; K242-T245 PolarHBondContact O-OG1 3.14Å |
| 243 | L | 96.4 | Very high | 92.4 | Very high | 19 Ų | 19 | 69.9 Ų | 69.9 | 10% | 0.099 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 146.3 | -178.5 | -57.3 | -179.4 | 0 | 0 | 0 | 110.7 | H64 M68 Y237 I238 N241 T245 | H64-L243 HydrophobicContact CB-CD1 3.99Å; M68-L243 HydrophobicContact CE-CD1 4.05Å; M68-L243 HydrophobicContact SD-CD1 4.06Å; Y237-L243 HydrophobicContact CD1-CD1 4.18Å; Y237-L243 HydrophobicContact CE1-CD1 3.98Å; I238-L243 HydrophobicContact CG2-CB 4.27Å; I238-L243 PolarHBondContact O-N 3.32Å; N241-L243 HydrophobicContact CB-CD1 4.28Å; N241-L243 HydrophobicContact CB-CD2 4.09Å; N241-L243 HydrophobicContact CB-CG 3.8Å; N241-L243 PolarHBondContact O-N 2.92Å; N241-L243 VanDerWaalsContact O-N 3.13Å; L243-T245 PolarHBondContact O-N 3.36Å; L243-T245 VanDerWaalsContact O-N 3.1Å |
| 244 | Y | 95.1 | Very high | 92 | Very high | 23 Ų | 23 | 72.8 Ų | 72.8 | 9% | 0.09 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.5 | 18.3 | 176.1 | -37.7 | -63.2 | 0 | 0 | 0 | 115.4 | N17 P18 M68 R217 L220 R221 I238 | N17-Y244 WeakPolarHBondContact CA-OH 3.32Å; N17-Y244 WeakPolarHBondContact OD1-CE1 3.35Å; N17-Y244 PolarHBondContact OD1-OH 2.82Å; N17-Y244 VanDerWaalsContact OD1-OH 3.09Å; P18-Y244 HydrophobicContact CB-CE2 4.06Å; P18-Y244 HydrophobicContact CG-CE2 4.08Å; P18-Y244 VanDerWaalsContact N-OH 3.16Å; M68-Y244 VanDerWaalsContact CE-OH 3.26Å; M68-Y244 WeakPolarHBondContact CE-OH 3.46Å; M68-Y244 HydrophobicContact SD-CE2 4.35Å; R217-Y244 HydrophobicContact CB-CD1 4.45Å; R217-Y244 VanDerWaalsContact CD-CE1 3.43Å; R217-Y244 HydrophobicContact CG-CD1 3.54Å; R217-Y244 HydrophobicContact CG-CD2 4.47Å; R217-Y244 HydrophobicContact CG-CE1 3.85Å; R217-Y244 HydrophobicContact CG-CG 3.86Å; L220-Y244 HydrophobicContact CD1-CD2 3.58Å; L220-Y244 HydrophobicContact CD1-CE2 4.48Å; L220-Y244 HydrophobicContact CD1-CG 4.14Å; R221-Y244 WeakPolarHBondContact CG-O 3.45Å; I238-Y244 HydrophobicContact CD1-CD2 4.24Å; I238-Y244 HydrophobicContact CD1-CE2 3.86Å; I238-Y244 HydrophobicContact CG1-CD2 4.26Å; I238-Y244 HydrophobicContact CG1-CE2 3.88Å; I238-Y244 HydrophobicContact CG2-CD2 3.96Å; I238-Y244 HydrophobicContact CG2-CE2 4.43Å |
| 245 | T | 85.3 | Confident | 91.5 | Very high | 76 Ų | 76 | 78.4 Ų | 78.4 | 47% | 0.466 | 43% | 0.426 | S | S | . | . | trans | -84.4 | -24.9 | -178.5 | 53.5 | 0 | 0 | 0 | 0 | 113.5 | K242 L243 | K242-T245 HydrophobicContact CB-CG2 4.34Å; K242-T245 WeakPolarHBondContact O-CG2 3.46Å; K242-T245 PolarHBondContact O-OG1 3.14Å; L243-T245 PolarHBondContact O-N 3.36Å; L243-T245 VanDerWaalsContact O-N 3.1Å | ||
| 246 | N | 76.1 | Confident | 90.9 | Very high | 146 Ų | 146 | 84.1 Ų | 84.1 | 78% | 0.781 | 46% | 0.457 | S | S | * | . | trans | -108.8 | 104.2 | -177.4 | -66 | -25 | 0 | 0 | 0 | 111.1 | ||||
| 247 | S | 54.7 | Low | 90.2 | Very high | 133 Ų | 133 | 79.9 Ų | 79.9 | 93% | 0.93 | 44% | 0.443 | S | S | * | . | trans | -166.5 | 0 | 141.4 | -17.6 | 0 | 0 | 0 | 0 | 109.9 | R221 | R221-S247 VanDerWaalsContact CD-CB 3.45Å; R221-S247 WeakPolarHBondContact CD-O 3.38Å; R221-S247 WeakPolarHBondContact CD-OG 3.31Å; R221-S247 PolarHBondContact NH1-OG 3.49Å |
Retrieved 247 of 247 residues in 441.7 ms
(Link to these results)