| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 85.3 | Confident | 95.6 | Very high | 174 Ų | 174 | 36.6 Ų | 36.6 | 86% | 0.857 | 22% | 0.218 | S | C | * | . | 0 | 146.5 | 0 | -57.9 | 176.2 | -174.5 | 0 | 0 | 106.9 | K26 N28 | M1-K26 CarbonylContact C-O 3.54Å; M1-K26 WeakPolarHBondContact CA-O 3.36Å; M1-N28 HydrophobicContact CB-CB 3.91Å | |||
| 2 | S | 93.7 | Very high | 95.3 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 141.7 | -168.8 | -60 | 0 | 0 | 0 | 0 | 112.6 | K26 N28 D64 | S2-K26 PolarHBondContact N-O 2.9Å; S2-N28 PolarHBondContact O-N 2.99Å; S2-D64 WeakPolarHBondContact CA-OD2 3.36Å |
| 3 | Q | 97.6 | Very high | 95.4 | Very high | 54 Ų | 54 | 33.7 Ų | 33.7 | 25% | 0.252 | 20% | 0.199 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 125.4 | 166 | -58.6 | -63.7 | -7.1 | 0 | 0 | 109.3 | N28 P62 D64 I65 | Q3-N28 PolarHBondContact NE2-ND2 3.28Å; Q3-P62 WeakPolarHBondContact CB-O 3.1Å; Q3-D64 PolarHBondContact N-OD2 3.49Å; Q3-D64 PolarHBondContact O-N 3.38Å; Q3-I65 PolarHBondContact O-N 3.09Å |
| 4 | V | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 132.8 | -170.2 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | L21 V27 A29 I30 A31 I65 F67 | V4-L21 HydrophobicContact CG1-CD1 3.99Å; V4-L21 HydrophobicContact CG1-CD2 4.3Å; V4-L21 HydrophobicContact CG2-CD2 4.43Å; V4-V27 HydrophobicContact CB-CG1 4.4Å; V4-V27 HydrophobicContact CG2-CG1 3.91Å; V4-V27 HydrophobicContact CG2-CG2 3.97Å; V4-A29 PolarHBondContact N-O 3.37Å; V4-I30 CarbonylContact O-C 3.56Å; V4-I30 WeakPolarHBondContact O-CA 3.47Å; V4-A31 PolarHBondContact O-N 3.32Å; V4-I65 WeakPolarHBondContact CA-O 3.19Å; V4-I65 HydrophobicContact CG2-CB 4.43Å; V4-F67 HydrophobicContact CG1-CD2 3.44Å; V4-F67 VanDerWaalsContact CG1-CD2 3.44Å; V4-F67 HydrophobicContact CG1-CE2 3.58Å; V4-F67 HydrophobicContact CG2-CE2 4.34Å |
| 5 | L | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 129.7 | 165 | 176.3 | 62.5 | 0 | 0 | 0 | 109.5 | A31 P33 L56 V59 I63 I65 V66 F67 T94 T97 | L5-A31 CarbonylContact C-O 3.49Å; L5-A31 WeakPolarHBondContact CA-O 3.33Å; L5-A31 HydrophobicContact CD1-CB 3.98Å; L5-P33 VanDerWaalsContact CD1-CD 3.41Å; L5-P33 HydrophobicContact CD1-CG 3.7Å; L5-L56 HydrophobicContact CD1-CD2 4.37Å; L5-L56 HydrophobicContact CD2-CD2 4.21Å; L5-V59 HydrophobicContact CD1-CG2 4.22Å; L5-I63 HydrophobicContact CB-CD1 4.02Å; L5-I63 HydrophobicContact CB-CG1 4.11Å; L5-I63 HydrophobicContact CB-CG2 3.72Å; L5-I65 PolarHBondContact N-O 3.08Å; L5-V66 HydrophobicContact CB-CG1 4.44Å; L5-V66 HydrophobicContact CB-CG2 4.35Å; L5-V66 HydrophobicContact CD2-CG1 4.18Å; L5-V66 HydrophobicContact CD2-CG2 4.39Å; L5-V66 HydrophobicContact CG-CG1 4.36Å; L5-V66 CarbonylContact O-C 3.6Å; L5-V66 WeakPolarHBondContact O-CA 3.32Å; L5-F67 PolarHBondContact O-N 2.88Å; L5-T94 HydrophobicContact CD2-CG2 4.49Å; L5-T97 HydrophobicContact CD2-CG2 4.18Å |
| 6 | I | 98.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 123.6 | 174.1 | -176.7 | 170 | 0 | 0 | 0 | 112.6 | L17 L18 L21 I30 A31 A32 F67 | I6-L17 HydrophobicContact CD1-CB 4.12Å; I6-L17 HydrophobicContact CD1-CD2 3.8Å; I6-L17 HydrophobicContact CD1-CG 3.86Å; I6-L18 HydrophobicContact CD1-CB 4.37Å; I6-L18 HydrophobicContact CG2-CD1 4.11Å; I6-L21 HydrophobicContact CB-CD1 4.49Å; I6-L21 HydrophobicContact CD1-CD1 3.96Å; I6-I30 HydrophobicContact CG2-CG2 3.83Å; I6-A31 PolarHBondContact N-O 3.37Å; I6-A32 HydrophobicContact CG2-CB 3.79Å; I6-A32 WeakPolarHBondContact O-CA 3.44Å; I6-F67 CarbonylContact C-O 3.55Å; I6-F67 VanDerWaalsContact CA-O 3.27Å; I6-F67 WeakPolarHBondContact CA-O 3.36Å; I6-F67 HydrophobicContact CB-CB 4.29Å; I6-F67 HydrophobicContact CD1-CB 4.39Å; I6-F67 HydrophobicContact CG1-CB 4.07Å |
| 7 | T | 98.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 153.3 | 168.3 | 61.8 | 0 | 0 | 0 | 0 | 111.4 | S9 L56 F67 C68 C69 T94 | T7-S9 VanDerWaalsContact C-N 3.34Å; T7-L56 HydrophobicContact CG2-CD2 3.9Å; T7-L56 HydrophobicContact CG2-CG 4.49Å; T7-F67 PolarHBondContact N-O 3.19Å; T7-C68 PolarHBondContact OG1-SG 3.21Å; T7-C68 VanDerWaalsContact OG1-SG 3.35Å; T7-C69 WeakPolarHBondContact O-CB 3.37Å; T7-C69 PolarHBondContact O-N 3.02Å; T7-T94 HydrophobicContact CG2-CG2 3.72Å; T7-T94 WeakPolarHBondContact CG2-OG1 3.42Å; T7-T94 WeakPolarHBondContact OG1-CG2 3.2Å; T7-T94 PolarHBondContact OG1-OG1 2.97Å; T7-T94 VanDerWaalsContact OG1-OG1 3.11Å |
| 8 | G | 97.2 | Very high | 95.9 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 11% | 0.113 | 17% | 0.166 | C | C | . | . | trans | 76.3 | 20.5 | -174 | 0 | 0 | 0 | 0 | 0 | 114 | T10 G11 G14 | G8-T10 PolarHBondContact O-N 3.11Å; G8-T10 VanDerWaalsContact O-N 3.12Å; G8-G11 PolarHBondContact O-N 2.88Å; G8-G14 WeakPolarHBondContact O-CA 3.14Å | ||
| 9 | S | 96.6 | Very high | 96 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 4% | 0.035 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -11.9 | 179.8 | 56 | 0 | 0 | 0 | 0 | 115 | T7 G14 G15 T34 | T7-S9 VanDerWaalsContact C-N 3.34Å; S9-G14 CarbonylContact O-C 3.37Å; S9-G15 WeakPolarHBondContact O-CA 3.32Å; S9-G15 PolarHBondContact O-N 3.49Å; S9-T34 VanDerWaalsContact OG-CG2 3.27Å; S9-T34 WeakPolarHBondContact OG-CG2 3.3Å |
| 10 | T | 92.9 | Very high | 96 | Very high | 99 Ų | 99 | 35.1 Ų | 35.1 | 61% | 0.607 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | -8.2 | 172.9 | 56.9 | 0 | 0 | 0 | 0 | 113.5 | G8 T34 L38 | G8-T10 PolarHBondContact O-N 3.11Å; G8-T10 VanDerWaalsContact O-N 3.12Å; T10-T34 HydrophobicContact CG2-CG2 4.23Å; T10-L38 HydrophobicContact CG2-CD2 3.53Å |
| 11 | G | 93 | Very high | 96.1 | Very high | 34 Ų | 34 | 33.5 Ų | 33.5 | 35% | 0.351 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -80.6 | 178 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G8 G15 | G8-G11 PolarHBondContact O-N 2.88Å; G11-G15 WeakPolarHBondContact O-CA 3.45Å; G11-G15 PolarHBondContact O-N 2.79Å |
| 12 | L | 92.3 | Very high | 96.7 | Very high | 28 Ų | 28 | 28.3 Ų | 28.3 | 15% | 0.147 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.9 | -58.2 | 179.7 | -73.8 | 177.7 | 0 | 0 | 0 | 112.1 | H16 L149 R153 A179 | L12-H16 PolarHBondContact O-CD2 2.6Å; L12-L149 HydrophobicContact CD1-CB 4.34Å; L12-R153 HydrophobicContact CD1-CG 3.82Å; L12-R153 HydrophobicContact CD2-CG 3.63Å; L12-R153 HydrophobicContact CG-CG 3.78Å; L12-A179 HydrophobicContact CB-CB 3.69Å |
| 13 | V | 97 | Very high | 96.8 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.042 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.6 | -50.5 | -179.2 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | G15 H16 L17 V109 L149 A179 V182 A183 M186 | V13-G15 VanDerWaalsContact C-N 3.28Å; V13-G15 PolarHBondContact O-N 3.12Å; V13-H16 PolarHBondContact O-N 2.93Å; V13-H16 VanDerWaalsContact O-N 3.12Å; V13-L17 WeakPolarHBondContact O-CB 3.33Å; V13-L17 PolarHBondContact O-N 3.04Å; V13-V109 HydrophobicContact CB-CG2 4.39Å; V13-V109 HydrophobicContact CG1-CG2 3.98Å; V13-L149 HydrophobicContact CG2-CD1 3.84Å; V13-L149 HydrophobicContact CG2-CD2 3.99Å; V13-A179 HydrophobicContact CG2-CB 3.92Å; V13-V182 HydrophobicContact CG1-CB 4.2Å; V13-V182 HydrophobicContact CG1-CG1 3.95Å; V13-V182 HydrophobicContact CG2-CB 4.14Å; V13-V182 HydrophobicContact CG2-CG1 4.2Å; V13-A183 HydrophobicContact CG1-CB 4.05Å; V13-M186 HydrophobicContact CG1-SD 4.09Å |
| 14 | G | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.5 | -32.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G8 S9 L17 L18 | G8-G14 WeakPolarHBondContact O-CA 3.14Å; S9-G14 CarbonylContact O-C 3.37Å; G14-L17 PolarHBondContact O-N 2.95Å; G14-L18 WeakPolarHBondContact O-CB 3.25Å; G14-L18 PolarHBondContact O-N 2.95Å |
| 15 | G | 95.5 | Very high | 96.6 | Very high | 12 Ų | 12 | 38 Ų | 38 | 12% | 0.124 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.7 | -34.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S9 G11 V13 R19 | S9-G15 WeakPolarHBondContact O-CA 3.32Å; S9-G15 PolarHBondContact O-N 3.49Å; G11-G15 WeakPolarHBondContact O-CA 3.45Å; G11-G15 PolarHBondContact O-N 2.79Å; V13-G15 VanDerWaalsContact C-N 3.28Å; V13-G15 PolarHBondContact O-N 3.12Å; G15-R19 WeakPolarHBondContact O-CG 3.5Å; G15-R19 PolarHBondContact O-NH1 2.82Å |
| 16 | H | 97.1 | Very high | 96.5 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 26% | 0.259 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.6 | -45.5 | 169.4 | -74.9 | -61.9 | 0 | 0 | 0 | 110.9 | L12 V13 L18 R19 M20 R180 A183 | L12-H16 PolarHBondContact O-CD2 2.6Å; V13-H16 PolarHBondContact O-N 2.93Å; V13-H16 VanDerWaalsContact O-N 3.12Å; H16-L18 PolarHBondContact O-N 3.33Å; H16-R19 PolarHBondContact O-N 3.41Å; H16-M20 HydrophobicContact CB-CE 4.39Å; H16-M20 VanDerWaalsContact O-CG 3.32Å; H16-M20 WeakPolarHBondContact O-CG 3.45Å; H16-M20 PolarHBondContact O-N 3.19Å; H16-R180 HydrophobicContact CB-CB 4.47Å; H16-R180 HydrophobicContact CB-CG 4.46Å; H16-A183 HydrophobicContact CB-CB 3.76Å |
| 17 | L | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.4 | -44.2 | -177.6 | -178.5 | 57.8 | 0 | 0 | 0 | 112.3 | I6 V13 G14 R19 M20 L21 F67 A183 L187 | I6-L17 HydrophobicContact CD1-CB 4.12Å; I6-L17 HydrophobicContact CD1-CD2 3.8Å; I6-L17 HydrophobicContact CD1-CG 3.86Å; V13-L17 WeakPolarHBondContact O-CB 3.33Å; V13-L17 PolarHBondContact O-N 3.04Å; G14-L17 PolarHBondContact O-N 2.95Å; L17-R19 VanDerWaalsContact C-N 3.33Å; L17-R19 PolarHBondContact O-N 3Å; L17-M20 PolarHBondContact O-N 3.16Å; L17-M20 VanDerWaalsContact O-N 3.11Å; L17-L21 HydrophobicContact CD1-CD1 4.26Å; L17-L21 HydrophobicContact CD1-CG 4.09Å; L17-L21 HydrophobicContact CG-CD1 3.91Å; L17-L21 HydrophobicContact CG-CG 4.25Å; L17-L21 WeakPolarHBondContact O-CB 3.4Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.31Å; L17-L21 PolarHBondContact O-N 3.42Å; L17-F67 HydrophobicContact CD1-CE1 4.36Å; L17-F67 HydrophobicContact CD2-CB 3.82Å; L17-F67 HydrophobicContact CD2-CD1 3.52Å; L17-F67 HydrophobicContact CD2-CE1 4.16Å; L17-F67 HydrophobicContact CD2-CG 3.77Å; L17-A183 HydrophobicContact CB-CB 3.86Å; L17-L187 HydrophobicContact CD1-CB 3.96Å |
| 18 | L | 97.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.1 | -45.4 | 177.4 | 177.8 | 59.9 | 0 | 0 | 0 | 111.6 | I6 G14 H16 M20 L21 I22 I30 A32 L38 M41 V44 | I6-L18 HydrophobicContact CD1-CB 4.37Å; I6-L18 HydrophobicContact CG2-CD1 4.11Å; G14-L18 WeakPolarHBondContact O-CB 3.25Å; G14-L18 PolarHBondContact O-N 2.95Å; H16-L18 PolarHBondContact O-N 3.33Å; L18-M20 VanDerWaalsContact C-N 3.29Å; L18-M20 PolarHBondContact O-N 3.21Å; L18-L21 PolarHBondContact O-N 2.81Å; L18-I22 HydrophobicContact CD1-CD1 4.31Å; L18-I22 HydrophobicContact CD1-CG1 4.41Å; L18-I22 HydrophobicContact CG-CD1 4.17Å; L18-I22 VanDerWaalsContact O-CG1 3.31Å; L18-I22 WeakPolarHBondContact O-CG1 3.49Å; L18-I22 PolarHBondContact O-N 3.3Å; L18-I30 HydrophobicContact CD1-CD1 4.45Å; L18-I30 HydrophobicContact CD1-CG2 3.8Å; L18-A32 HydrophobicContact CD1-CB 4.44Å; L18-L38 HydrophobicContact CD2-CD1 3.88Å; L18-M41 HydrophobicContact CD2-CE 3.47Å; L18-M41 VanDerWaalsContact CD2-CE 3.47Å; L18-M41 HydrophobicContact CD2-SD 3.92Å; L18-M41 HydrophobicContact CG-SD 4.39Å; L18-V44 HydrophobicContact CD1-CG1 4.38Å; L18-V44 HydrophobicContact CD1-CG2 4.16Å |
| 19 | R | 96.7 | Very high | 96.2 | Very high | 152 Ų | 152 | 50.3 Ų | 50.3 | 57% | 0.574 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.5 | -35.8 | 177 | -66.7 | -179.9 | -169.8 | 105.5 | -10 | 112.4 | G15 H16 L17 N23 | G15-R19 WeakPolarHBondContact O-CG 3.5Å; G15-R19 PolarHBondContact O-NH1 2.82Å; H16-R19 PolarHBondContact O-N 3.41Å; L17-R19 VanDerWaalsContact C-N 3.33Å; L17-R19 PolarHBondContact O-N 3Å; R19-N23 PolarHBondContact O-ND2 3Å |
| 20 | M | 97.6 | Very high | 96.3 | Very high | 40 Ų | 40 | 50.4 Ų | 50.4 | 20% | 0.197 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.7 | -42.8 | 175.6 | -64.6 | 170.8 | -179.5 | 0 | 0 | 111.3 | H16 L17 L18 I22 N23 E24 R180 A183 R184 L187 | H16-M20 HydrophobicContact CB-CE 4.39Å; H16-M20 VanDerWaalsContact O-CG 3.32Å; H16-M20 WeakPolarHBondContact O-CG 3.45Å; H16-M20 PolarHBondContact O-N 3.19Å; L17-M20 PolarHBondContact O-N 3.16Å; L17-M20 VanDerWaalsContact O-N 3.11Å; L18-M20 VanDerWaalsContact C-N 3.29Å; L18-M20 PolarHBondContact O-N 3.21Å; M20-I22 PolarHBondContact O-N 2.9Å; M20-N23 CarbonylContact O-C 3.54Å; M20-N23 PolarHBondContact O-N 3.18Å; M20-E24 PolarHBondContact O-N 2.93Å; M20-E24 VanDerWaalsContact O-N 3.14Å; M20-R180 HydrophobicContact CE-CG 3.5Å; M20-A183 HydrophobicContact CE-CB 4.35Å; M20-A183 HydrophobicContact SD-CB 4.07Å; M20-R184 HydrophobicContact CE-CB 4.19Å; M20-R184 HydrophobicContact SD-CB 4.23Å; M20-L187 HydrophobicContact CB-CD2 3.69Å |
| 21 | L | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.5 | -41.4 | 178.2 | -73.3 | 167.3 | 0 | 0 | 0 | 112.3 | V4 I6 L17 L18 N23 E24 V27 I30 F67 L187 | V4-L21 HydrophobicContact CG1-CD1 3.99Å; V4-L21 HydrophobicContact CG1-CD2 4.3Å; V4-L21 HydrophobicContact CG2-CD2 4.43Å; I6-L21 HydrophobicContact CB-CD1 4.49Å; I6-L21 HydrophobicContact CD1-CD1 3.96Å; L17-L21 HydrophobicContact CD1-CD1 4.26Å; L17-L21 HydrophobicContact CD1-CG 4.09Å; L17-L21 HydrophobicContact CG-CD1 3.91Å; L17-L21 HydrophobicContact CG-CG 4.25Å; L17-L21 WeakPolarHBondContact O-CB 3.4Å; L17-L21 VanDerWaalsContact O-CG 3.31Å; L17-L21 WeakPolarHBondContact O-CG 3.31Å; L17-L21 PolarHBondContact O-N 3.42Å; L18-L21 PolarHBondContact O-N 2.81Å; L21-N23 PolarHBondContact O-N 3.47Å; L21-E24 PolarHBondContact O-N 3.33Å; L21-E24 VanDerWaalsContact O-N 3.11Å; L21-V27 HydrophobicContact CD2-CG2 3.88Å; L21-I30 HydrophobicContact CB-CD1 3.7Å; L21-I30 HydrophobicContact CB-CG1 4.43Å; L21-F67 HydrophobicContact CD1-CD2 4.23Å; L21-F67 HydrophobicContact CD1-CE2 4.3Å; L21-F67 HydrophobicContact CD2-CE2 3.84Å; L21-F67 HydrophobicContact CD2-CZ 4.12Å; L21-L187 HydrophobicContact CD2-CD1 3.75Å |
| 22 | I | 96.9 | Very high | 96.8 | Very high | 65 Ų | 65 | 44.5 Ų | 44.5 | 33% | 0.333 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.7 | -30.2 | 176 | -69.5 | 164.5 | 0 | 0 | 0 | 111.7 | L18 M20 I30 M41 V44 | L18-I22 HydrophobicContact CD1-CD1 4.31Å; L18-I22 HydrophobicContact CD1-CG1 4.41Å; L18-I22 HydrophobicContact CG-CD1 4.17Å; L18-I22 VanDerWaalsContact O-CG1 3.31Å; L18-I22 WeakPolarHBondContact O-CG1 3.49Å; L18-I22 PolarHBondContact O-N 3.3Å; M20-I22 PolarHBondContact O-N 2.9Å; I22-I30 HydrophobicContact CB-CD1 4.44Å; I22-I30 HydrophobicContact CG1-CD1 3.78Å; I22-M41 HydrophobicContact CD1-CB 4.35Å; I22-M41 HydrophobicContact CD1-CG 4.42Å; I22-M41 HydrophobicContact CD1-SD 3.79Å; I22-V44 HydrophobicContact CD1-CG2 3.74Å; I22-V44 HydrophobicContact CG1-CG2 3.74Å |
| 23 | N | 96 | Very high | 97.1 | Very high | 129 Ų | 129 | 43.1 Ų | 43.1 | 69% | 0.69 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 6.1 | -178.1 | -66.9 | -74.9 | 0 | 0 | 0 | 113.2 | R19 M20 L21 P25 | R19-N23 PolarHBondContact O-ND2 3Å; M20-N23 CarbonylContact O-C 3.54Å; M20-N23 PolarHBondContact O-N 3.18Å; L21-N23 PolarHBondContact O-N 3.47Å; N23-P25 WeakPolarHBondContact O-CD 3.23Å |
| 24 | E | 97 | Very high | 97.2 | Very high | 45 Ų | 45 | 43.1 Ų | 43.1 | 21% | 0.21 | 23% | 0.225 | C | C | . | . | trans | -90.1 | 113.4 | -178.7 | 173.2 | 53 | -122.9 | 0 | 0 | 110.5 | M20 L21 K26 V27 L187 M191 | M20-E24 PolarHBondContact O-N 2.93Å; M20-E24 VanDerWaalsContact O-N 3.14Å; L21-E24 PolarHBondContact O-N 3.33Å; L21-E24 VanDerWaalsContact O-N 3.11Å; E24-K26 HydrophobicContact CG-CB 4.25Å; E24-K26 PolarHBondContact O-N 2.98Å; E24-K26 VanDerWaalsContact O-N 3.08Å; E24-K26 WeakPolarHBondContact OE1-CB 3.41Å; E24-K26 WeakPolarHBondContact OE1-CG 3.45Å; E24-K26 PolarHBondContact OE1-N 3.29Å; E24-K26 VanDerWaalsContact OE1-N 3.1Å; E24-V27 HydrophobicContact CB-CB 4.32Å; E24-V27 HydrophobicContact CB-CG2 3.96Å; E24-V27 HydrophobicContact CG-CB 4.39Å; E24-V27 HydrophobicContact CG-CG2 3.75Å; E24-V27 PolarHBondContact O-N 3.43Å; E24-L187 HydrophobicContact CB-CD1 4.44Å; E24-L187 HydrophobicContact CG-CD1 4.2Å; E24-M191 HydrophobicContact CG-CE 4.35Å; E24-M191 HydrophobicContact CG-SD 4.32Å | ||
| 25 | P | 95.5 | Very high | 97.1 | Very high | 110 Ų | 110 | 50.5 Ų | 50.5 | 71% | 0.714 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22.4 | -176.3 | -25 | 35.4 | 0 | 0 | 0 | 114.9 | N23 V27 | N23-P25 WeakPolarHBondContact O-CD 3.23Å; P25-V27 VanDerWaalsContact C-N 3.3Å |
| 26 | K | 95.5 | Very high | 97 | Very high | 114 Ų | 114 | 59.5 Ų | 59.5 | 50% | 0.496 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -12.2 | 176.4 | -66.7 | 177.9 | 179.5 | 178.8 | 0 | 113.2 | M1 S2 E24 M191 | M1-K26 CarbonylContact C-O 3.54Å; M1-K26 WeakPolarHBondContact CA-O 3.36Å; S2-K26 PolarHBondContact N-O 2.9Å; E24-K26 HydrophobicContact CG-CB 4.25Å; E24-K26 PolarHBondContact O-N 2.98Å; E24-K26 VanDerWaalsContact O-N 3.08Å; E24-K26 WeakPolarHBondContact OE1-CB 3.41Å; E24-K26 WeakPolarHBondContact OE1-CG 3.45Å; E24-K26 PolarHBondContact OE1-N 3.29Å; E24-K26 VanDerWaalsContact OE1-N 3.1Å; K26-M191 HydrophobicContact CB-SD 3.79Å; K26-M191 HydrophobicContact CD-CB 4.4Å; K26-M191 HydrophobicContact CD-CG 4.43Å; K26-M191 HydrophobicContact CD-SD 3.99Å |
| 27 | V | 96.7 | Very high | 96.8 | Very high | 19 Ų | 19 | 61 Ų | 61 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.6 | 178.4 | 174.9 | 0 | 0 | 0 | 0 | 109.5 | V4 L21 E24 P25 I30 M191 | V4-V27 HydrophobicContact CB-CG1 4.4Å; V4-V27 HydrophobicContact CG2-CG1 3.91Å; V4-V27 HydrophobicContact CG2-CG2 3.97Å; L21-V27 HydrophobicContact CD2-CG2 3.88Å; E24-V27 HydrophobicContact CB-CB 4.32Å; E24-V27 HydrophobicContact CB-CG2 3.96Å; E24-V27 HydrophobicContact CG-CB 4.39Å; E24-V27 HydrophobicContact CG-CG2 3.75Å; E24-V27 PolarHBondContact O-N 3.43Å; P25-V27 VanDerWaalsContact C-N 3.3Å; V27-I30 HydrophobicContact CG1-CD1 4.12Å; V27-I30 HydrophobicContact CG1-CG1 3.62Å; V27-M191 HydrophobicContact CG2-CE 3.94Å |
| 28 | N | 95.5 | Very high | 96.6 | Very high | 99 Ų | 99 | 62.6 Ų | 62.6 | 53% | 0.529 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -44.5 | -176.7 | -174.5 | 55.8 | 0 | 0 | 0 | 112.7 | M1 S2 Q3 | M1-N28 HydrophobicContact CB-CB 3.91Å; S2-N28 PolarHBondContact O-N 2.99Å; Q3-N28 PolarHBondContact NE2-ND2 3.28Å |
| 29 | A | 97.1 | Very high | 96.2 | Very high | 37 Ų | 37 | 65.2 Ų | 65.2 | 31% | 0.306 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 159.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V4 | V4-A29 PolarHBondContact N-O 3.37Å |
| 30 | I | 98.6 | Very high | 95.8 | Very high | 8 Ų | 8 | 65.6 Ų | 65.6 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 118.7 | -174.9 | -56.3 | 165.5 | 0 | 0 | 0 | 108.9 | V4 I6 L18 L21 I22 V27 A32 V44 F45 | V4-I30 CarbonylContact O-C 3.56Å; V4-I30 WeakPolarHBondContact O-CA 3.47Å; I6-I30 HydrophobicContact CG2-CG2 3.83Å; L18-I30 HydrophobicContact CD1-CD1 4.45Å; L18-I30 HydrophobicContact CD1-CG2 3.8Å; L21-I30 HydrophobicContact CB-CD1 3.7Å; L21-I30 HydrophobicContact CB-CG1 4.43Å; I22-I30 HydrophobicContact CB-CD1 4.44Å; I22-I30 HydrophobicContact CG1-CD1 3.78Å; V27-I30 HydrophobicContact CG1-CD1 4.12Å; V27-I30 HydrophobicContact CG1-CG1 3.62Å; I30-A32 HydrophobicContact CG2-CB 4.48Å; I30-V44 HydrophobicContact CB-CG2 4.41Å; I30-V44 HydrophobicContact CD1-CG2 4.42Å; I30-V44 HydrophobicContact CG2-CG1 4.38Å; I30-V44 WeakPolarHBondContact O-CA 3.33Å; I30-F45 PolarHBondContact O-N 2.95Å |
| 31 | A | 98.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 66 Ų | 66 | 7% | 0.066 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 123.1 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | V4 L5 I6 F45 V59 I63 | V4-A31 PolarHBondContact O-N 3.32Å; L5-A31 CarbonylContact C-O 3.49Å; L5-A31 WeakPolarHBondContact CA-O 3.33Å; L5-A31 HydrophobicContact CD1-CB 3.98Å; I6-A31 PolarHBondContact N-O 3.37Å; A31-F45 CarbonylContact C-O 3.56Å; A31-F45 WeakPolarHBondContact CA-O 3.22Å; A31-F45 HydrophobicContact CB-CD1 4.22Å; A31-V59 HydrophobicContact CB-CG1 3.79Å; A31-V59 HydrophobicContact CB-CG2 4.11Å; A31-I63 HydrophobicContact CB-CD1 4.39Å |
| 32 | A | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 38% | 0.382 | C | S | . | . | trans | -125.4 | 73.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | I6 L18 I30 T34 L38 V44 F45 N46 | I6-A32 HydrophobicContact CG2-CB 3.79Å; I6-A32 WeakPolarHBondContact O-CA 3.44Å; L18-A32 HydrophobicContact CD1-CB 4.44Å; I30-A32 HydrophobicContact CG2-CB 4.48Å; A32-T34 PolarHBondContact O-N 3.33Å; A32-L38 HydrophobicContact CB-CD1 4.08Å; A32-V44 HydrophobicContact CB-CG1 3.66Å; A32-F45 PolarHBondContact N-O 3.48Å; A32-N46 PolarHBondContact O-ND2 3.38Å | ||
| 33 | P | 98.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 40% | 0.398 | C | S | . | . | trans | -61.2 | 135.7 | 177.5 | -23.9 | 35.9 | 0 | 0 | 0 | 112.5 | L5 P47 L52 A55 L56 V59 | L5-P33 VanDerWaalsContact CD1-CD 3.41Å; L5-P33 HydrophobicContact CD1-CG 3.7Å; P33-P47 WeakPolarHBondContact CA-O 3.08Å; P33-P47 HydrophobicContact CB-CG 4.18Å; P33-P47 HydrophobicContact CG-CG 3.97Å; P33-L52 HydrophobicContact CB-CD1 4.12Å; P33-A55 HydrophobicContact CB-CB 3.99Å; P33-L56 HydrophobicContact CB-CD2 4.27Å; P33-L56 HydrophobicContact CB-CG 4.24Å; P33-L56 HydrophobicContact CG-CD2 3.98Å; P33-L56 HydrophobicContact CG-CG 4.43Å; P33-V59 HydrophobicContact CG-CG2 3.5Å; P33-V59 VanDerWaalsContact CG-CG2 3.5Å | ||
| 34 | T | 97.8 | Very high | 94.7 | Very high | 6 Ų | 6 | 65.9 Ų | 65.9 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -143.5 | 163.5 | -175.5 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | S9 T10 A32 R36 L38 N46 P47 H48 D49 | S9-T34 VanDerWaalsContact OG-CG2 3.27Å; S9-T34 WeakPolarHBondContact OG-CG2 3.3Å; T10-T34 HydrophobicContact CG2-CG2 4.23Å; A32-T34 PolarHBondContact O-N 3.33Å; T34-R36 VanDerWaalsContact C-N 3.32Å; T34-R36 WeakPolarHBondContact CB-O 3.28Å; T34-R36 PolarHBondContact OG1-O 2.97Å; T34-L38 HydrophobicContact CG2-CD1 4.06Å; T34-L38 HydrophobicContact CG2-CD2 4.05Å; T34-L38 HydrophobicContact CG2-CG 3.98Å; T34-N46 PolarHBondContact OG1-ND2 3.03Å; T34-P47 PolarHBondContact N-O 2.89Å; T34-P47 VanDerWaalsContact N-O 3.09Å; T34-H48 WeakPolarHBondContact O-CA 3.45Å; T34-H48 WeakPolarHBondContact O-CB 3.32Å; T34-D49 PolarHBondContact O-N 3.36Å; T34-D49 VanDerWaalsContact O-N 3.12Å |
| 35 | R | 95.2 | Very high | 94.8 | Very high | 155 Ų | 155 | 68.5 Ų | 68.5 | 59% | 0.585 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -78.9 | -16.3 | 175.7 | -69.1 | -179.7 | -67.2 | 174.9 | -3 | 114.7 | D49 L52 | R35-D49 VanDerWaalsContact CA-O 3.25Å; R35-D49 WeakPolarHBondContact CA-O 3.38Å; R35-L52 HydrophobicContact CG-CB 4.09Å |
| 36 | R | 93.4 | Very high | 94.9 | Very high | 201 Ų | 201 | 64.8 Ų | 64.8 | 76% | 0.758 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -148.3 | 144.2 | -176.1 | -64.1 | -179.8 | -171.4 | 157 | 0 | 107.2 | T34 L38 | T34-R36 VanDerWaalsContact C-N 3.32Å; T34-R36 WeakPolarHBondContact CB-O 3.28Å; T34-R36 PolarHBondContact OG1-O 2.97Å; R36-L38 PolarHBondContact O-N 3.42Å |
| 37 | P | 93.9 | Very high | 95 | Very high | 88 Ų | 88 | 59.6 Ų | 59.6 | 57% | 0.571 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 139.1 | -178.5 | 23.5 | -33.3 | 0 | 0 | 0 | 110.8 | ||
| 38 | L | 93.2 | Very high | 95 | Very high | 34 Ų | 34 | 63 Ų | 63 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 161.1 | 166.8 | -64.2 | 174.8 | 0 | 0 | 0 | 109.4 | T10 L18 A32 T34 R36 M41 N46 | T10-L38 HydrophobicContact CG2-CD2 3.53Å; L18-L38 HydrophobicContact CD2-CD1 3.88Å; A32-L38 HydrophobicContact CB-CD1 4.08Å; T34-L38 HydrophobicContact CG2-CD1 4.06Å; T34-L38 HydrophobicContact CG2-CD2 4.05Å; T34-L38 HydrophobicContact CG2-CG 3.98Å; R36-L38 PolarHBondContact O-N 3.42Å; L38-M41 HydrophobicContact CB-CE 3.66Å; L38-M41 HydrophobicContact CD1-CE 3.63Å; L38-M41 HydrophobicContact CD2-CE 4.21Å; L38-M41 HydrophobicContact CG-CE 4.03Å; L38-N46 WeakPolarHBondContact CB-OD1 3.39Å; L38-N46 HydrophobicContact CD1-CB 4.26Å; L38-N46 VanDerWaalsContact CD1-ND2 3.32Å; L38-N46 WeakPolarHBondContact CD1-ND2 3.44Å; L38-N46 WeakPolarHBondContact CG-ND2 3.35Å; L38-N46 PolarHBondContact N-OD1 3.2Å |
| 39 | G | 90.3 | Very high | 95.1 | Very high | 59 Ų | 59 | 60.4 Ų | 60.4 | 61% | 0.608 | 34% | 0.335 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 161.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | M41 | G39-M41 PolarHBondContact O-N 3.1Å; G39-M41 VanDerWaalsContact O-N 3.14Å |
| 40 | D | 88.7 | Confident | 95 | Very high | 159 Ų | 159 | 63.7 Ų | 63.7 | 85% | 0.85 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 120.4 | 178.1 | -173.1 | 20.6 | 0 | 0 | 0 | 110.7 | ||
| 41 | M | 90.9 | Very high | 94.8 | Very high | 48 Ų | 48 | 69.5 Ų | 69.5 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | trans | -136.7 | 99 | -178 | -79.2 | -165.1 | -84.4 | 0 | 0 | 108.5 | L18 I22 L38 G39 G43 V44 | L18-M41 HydrophobicContact CD2-CE 3.47Å; L18-M41 VanDerWaalsContact CD2-CE 3.47Å; L18-M41 HydrophobicContact CD2-SD 3.92Å; L18-M41 HydrophobicContact CG-SD 4.39Å; I22-M41 HydrophobicContact CD1-CB 4.35Å; I22-M41 HydrophobicContact CD1-CG 4.42Å; I22-M41 HydrophobicContact CD1-SD 3.79Å; L38-M41 HydrophobicContact CB-CE 3.66Å; L38-M41 HydrophobicContact CD1-CE 3.63Å; L38-M41 HydrophobicContact CD2-CE 4.21Å; L38-M41 HydrophobicContact CG-CE 4.03Å; G39-M41 PolarHBondContact O-N 3.1Å; G39-M41 VanDerWaalsContact O-N 3.14Å; M41-G43 PolarHBondContact O-N 3.42Å; M41-V44 HydrophobicContact CB-CB 4.11Å; M41-V44 HydrophobicContact CB-CG2 3.91Å; M41-V44 WeakPolarHBondContact O-CB 3.5Å; M41-V44 PolarHBondContact O-N 3.32Å; M41-V44 VanDerWaalsContact O-N 3.12Å | ||
| 42 | P | 87.4 | Confident | 94.7 | Very high | 106 Ų | 106 | 69.4 Ų | 69.4 | 69% | 0.688 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 135.8 | 179.1 | -28.3 | 35.3 | 0 | 0 | 0 | 112.2 | V44 | P42-V44 VanDerWaalsContact C-N 3.29Å; P42-V44 PolarHBondContact O-N 3.05Å |
| 43 | G | 89.3 | Confident | 94.5 | Very high | 65 Ų | 65 | 72.2 Ų | 72.2 | 67% | 0.67 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.8 | 2.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | M41 | M41-G43 PolarHBondContact O-N 3.42Š|
| 44 | V | 97.7 | Very high | 94.5 | Very high | 23 Ų | 23 | 75.4 Ų | 75.4 | 14% | 0.139 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 117.2 | 176.8 | -176 | 0 | 0 | 0 | 0 | 110.5 | L18 I22 I30 A32 M41 P42 N46 | L18-V44 HydrophobicContact CD1-CG1 4.38Å; L18-V44 HydrophobicContact CD1-CG2 4.16Å; I22-V44 HydrophobicContact CD1-CG2 3.74Å; I22-V44 HydrophobicContact CG1-CG2 3.74Å; I30-V44 HydrophobicContact CB-CG2 4.41Å; I30-V44 HydrophobicContact CD1-CG2 4.42Å; I30-V44 HydrophobicContact CG2-CG1 4.38Å; I30-V44 WeakPolarHBondContact O-CA 3.33Å; A32-V44 HydrophobicContact CB-CG1 3.66Å; M41-V44 HydrophobicContact CB-CB 4.11Å; M41-V44 HydrophobicContact CB-CG2 3.91Å; M41-V44 WeakPolarHBondContact O-CB 3.5Å; M41-V44 PolarHBondContact O-N 3.32Å; M41-V44 VanDerWaalsContact O-N 3.12Å; P42-V44 VanDerWaalsContact C-N 3.29Å; P42-V44 PolarHBondContact O-N 3.05Å; V44-N46 HydrophobicContact CG1-CB 4.47Å; V44-N46 PolarHBondContact O-N 3.07Å |
| 45 | F | 97.9 | Very high | 94.5 | Very high | 99 Ų | 99 | 75.1 Ų | 75.1 | 43% | 0.434 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 111.4 | 165.4 | 175 | -124.7 | 0 | 0 | 0 | 109.1 | I30 A31 A32 P47 V59 | I30-F45 PolarHBondContact O-N 2.95Å; A31-F45 CarbonylContact C-O 3.56Å; A31-F45 WeakPolarHBondContact CA-O 3.22Å; A31-F45 HydrophobicContact CB-CD1 4.22Å; A32-F45 PolarHBondContact N-O 3.48Å; F45-P47 VanDerWaalsContact C-CD 3.48Å; F45-P47 HydrophobicContact CD1-CG 4.25Å; F45-P47 HydrophobicContact CE1-CB 4.28Å; F45-P47 HydrophobicContact CE1-CG 3.75Å; F45-P47 HydrophobicContact CZ-CB 4.03Å; F45-P47 HydrophobicContact CZ-CG 4Å; F45-P47 WeakPolarHBondContact O-CD 3.34Å; F45-V59 HydrophobicContact CE1-CG2 4.35Å |
| 46 | N | 98 | Very high | 94.7 | Very high | 33 Ų | 33 | 67.8 Ų | 67.8 | 18% | 0.176 | 38% | 0.383 | C | S | . | . | trans | -115.9 | 76.2 | -175.9 | 177 | -129.4 | 0 | 0 | 0 | 112.1 | A32 T34 L38 V44 H48 | A32-N46 PolarHBondContact O-ND2 3.38Å; T34-N46 PolarHBondContact OG1-ND2 3.03Å; L38-N46 WeakPolarHBondContact CB-OD1 3.39Å; L38-N46 HydrophobicContact CD1-CB 4.26Å; L38-N46 VanDerWaalsContact CD1-ND2 3.32Å; L38-N46 WeakPolarHBondContact CD1-ND2 3.44Å; L38-N46 WeakPolarHBondContact CG-ND2 3.35Å; L38-N46 PolarHBondContact N-OD1 3.2Å; V44-N46 HydrophobicContact CG1-CB 4.47Å; V44-N46 PolarHBondContact O-N 3.07Å; N46-H48 PolarHBondContact O-ND1 2.64Å | ||
| 47 | P | 97.6 | Very high | 94.9 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | trans | -63.9 | 141.4 | 166.5 | 29.4 | -32.5 | 0 | 0 | 0 | 108.8 | P33 T34 F45 A55 Q58 V59 | P33-P47 WeakPolarHBondContact CA-O 3.08Å; P33-P47 HydrophobicContact CB-CG 4.18Å; P33-P47 HydrophobicContact CG-CG 3.97Å; T34-P47 PolarHBondContact N-O 2.89Å; T34-P47 VanDerWaalsContact N-O 3.09Å; F45-P47 VanDerWaalsContact C-CD 3.48Å; F45-P47 HydrophobicContact CD1-CG 4.25Å; F45-P47 HydrophobicContact CE1-CB 4.28Å; F45-P47 HydrophobicContact CE1-CG 3.75Å; F45-P47 HydrophobicContact CZ-CB 4.03Å; F45-P47 HydrophobicContact CZ-CG 4Å; F45-P47 WeakPolarHBondContact O-CD 3.34Å; P47-A55 WeakPolarHBondContact CG-O 3.42Å; P47-Q58 HydrophobicContact CB-CB 3.7Å; P47-Q58 HydrophobicContact CB-CG 4.4Å; P47-Q58 HydrophobicContact CG-CB 4.38Å; P47-V59 HydrophobicContact CG-CG2 3.97Å | ||
| 48 | H | 96.7 | Very high | 95.1 | Very high | 91 Ų | 91 | 61.4 Ų | 61.4 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -142.5 | 141.9 | 179.8 | 61.7 | -86.6 | 0 | 0 | 0 | 111.6 | T34 N46 | T34-H48 WeakPolarHBondContact O-CA 3.45Å; T34-H48 WeakPolarHBondContact O-CB 3.32Å; N46-H48 PolarHBondContact O-ND1 2.64Å |
| 49 | D | 97.7 | Very high | 95.3 | Very high | 45 Ų | 45 | 59.9 Ų | 59.9 | 24% | 0.241 | 36% | 0.357 | C | S | . | . | trans | -158.6 | 138.7 | 176.2 | -170.1 | -72.9 | 0 | 0 | 0 | 108.2 | T34 R35 Q51 D54 A55 | T34-D49 PolarHBondContact O-N 3.36Å; T34-D49 VanDerWaalsContact O-N 3.12Å; R35-D49 VanDerWaalsContact CA-O 3.25Å; R35-D49 WeakPolarHBondContact CA-O 3.38Å; D49-Q51 CarbonylContact O-C 3.4Å; D49-Q51 PolarHBondContact O-N 3.19Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.45Å; D49-Q51 PolarHBondContact OD1-N 3.21Å; D49-D54 HydrophobicContact CB-CB 3.98Å; D49-A55 HydrophobicContact CB-CB 4.1Å | ||
| 50 | P | 94.2 | Very high | 95.7 | Very high | 106 Ų | 106 | 61.9 Ų | 61.9 | 69% | 0.688 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -46.1 | -34.5 | 173.7 | -29.8 | 36.2 | 0 | 0 | 0 | 114.2 | ||
| 51 | Q | 94.7 | Very high | 96.1 | Very high | 129 Ų | 129 | 59.4 Ų | 59.4 | 60% | 0.603 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -89.5 | 105.9 | 167.6 | -62.6 | -175.6 | 87.9 | 0 | 0 | 109.8 | D49 T53 D54 A55 | D49-Q51 CarbonylContact O-C 3.4Å; D49-Q51 PolarHBondContact O-N 3.19Å; D49-Q51 WeakPolarHBondContact OD1-CB 3.45Å; D49-Q51 PolarHBondContact OD1-N 3.21Å; Q51-T53 PolarHBondContact O-N 2.82Å; Q51-D54 HydrophobicContact CB-CB 4.33Å; Q51-D54 WeakPolarHBondContact CB-OD2 3.35Å; Q51-D54 PolarHBondContact NE2-OD2 2.85Å; Q51-D54 VanDerWaalsContact NE2-OD2 3.1Å; Q51-D54 PolarHBondContact O-N 3.12Å; Q51-A55 PolarHBondContact O-N 3.09Å |
| 52 | L | 96.4 | Very high | 96.5 | Very high | 7 Ų | 7 | 61.6 Ų | 61.6 | 4% | 0.037 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.9 | -29.4 | -176.9 | -176.7 | 63.2 | 0 | 0 | 0 | 113.1 | P33 R35 D54 A55 L56 L70 L90 | P33-L52 HydrophobicContact CB-CD1 4.12Å; R35-L52 HydrophobicContact CG-CB 4.09Å; L52-D54 VanDerWaalsContact C-N 3.31Å; L52-D54 PolarHBondContact O-N 2.81Å; L52-A55 HydrophobicContact CD1-CB 4.4Å; L52-A55 PolarHBondContact O-N 2.83Å; L52-L56 HydrophobicContact CG-CD1 4.29Å; L52-L56 WeakPolarHBondContact O-CG 3.5Å; L52-L56 PolarHBondContact O-N 2.83Å; L52-L70 HydrophobicContact CD2-CD1 3.71Å; L52-L70 HydrophobicContact CD2-CD2 3.73Å; L52-L70 HydrophobicContact CD2-CG 4.36Å; L52-L90 HydrophobicContact CB-CD1 4.28Å; L52-L90 HydrophobicContact CB-CD2 4.21Å; L52-L90 HydrophobicContact CD2-CB 4.47Å; L52-L90 HydrophobicContact CD2-CD1 4.18Å |
| 53 | T | 96 | Very high | 97 | Very high | 59 Ų | 59 | 56.9 Ų | 56.9 | 36% | 0.362 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 175.7 | -50.4 | 0 | 0 | 0 | 0 | 112 | Q51 L56 A57 | Q51-T53 PolarHBondContact O-N 2.82Å; T53-L56 WeakPolarHBondContact O-CB 3.38Å; T53-L56 PolarHBondContact O-N 2.49Å; T53-A57 PolarHBondContact O-N 2.78Å |
| 54 | D | 97.6 | Very high | 97.4 | Very high | 67 Ų | 67 | 57.1 Ų | 57.1 | 36% | 0.358 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -72.6 | -34.1 | 177.1 | -64 | -22.5 | 0 | 0 | 0 | 111.3 | D49 Q51 L52 A57 Q58 | D49-D54 HydrophobicContact CB-CB 3.98Å; Q51-D54 HydrophobicContact CB-CB 4.33Å; Q51-D54 WeakPolarHBondContact CB-OD2 3.35Å; Q51-D54 PolarHBondContact NE2-OD2 2.85Å; Q51-D54 VanDerWaalsContact NE2-OD2 3.1Å; Q51-D54 PolarHBondContact O-N 3.12Å; L52-D54 VanDerWaalsContact C-N 3.31Å; L52-D54 PolarHBondContact O-N 2.81Å; D54-A57 PolarHBondContact O-N 2.9Å; D54-Q58 PolarHBondContact O-NE2 3.03Å |
| 55 | A | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P33 P47 D49 Q51 L52 A57 Q58 | P33-A55 HydrophobicContact CB-CB 3.99Å; P47-A55 WeakPolarHBondContact CG-O 3.42Å; D49-A55 HydrophobicContact CB-CB 4.1Å; Q51-A55 PolarHBondContact O-N 3.09Å; L52-A55 HydrophobicContact CD1-CB 4.4Å; L52-A55 PolarHBondContact O-N 2.83Å; A55-A57 VanDerWaalsContact C-N 3.35Å; A55-Q58 PolarHBondContact O-N 2.8Å |
| 56 | L | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 174.8 | -82.8 | 163.5 | 0 | 0 | 0 | 111.8 | L5 T7 P33 L52 T53 Q58 V59 T97 | L5-L56 HydrophobicContact CD1-CD2 4.37Å; L5-L56 HydrophobicContact CD2-CD2 4.21Å; T7-L56 HydrophobicContact CG2-CD2 3.9Å; T7-L56 HydrophobicContact CG2-CG 4.49Å; P33-L56 HydrophobicContact CB-CD2 4.27Å; P33-L56 HydrophobicContact CB-CG 4.24Å; P33-L56 HydrophobicContact CG-CD2 3.98Å; P33-L56 HydrophobicContact CG-CG 4.43Å; L52-L56 HydrophobicContact CG-CD1 4.29Å; L52-L56 WeakPolarHBondContact O-CG 3.5Å; L52-L56 PolarHBondContact O-N 2.83Å; T53-L56 WeakPolarHBondContact O-CB 3.38Å; T53-L56 PolarHBondContact O-N 2.49Å; L56-Q58 PolarHBondContact O-N 3.42Å; L56-V59 PolarHBondContact O-N 3.14Å; L56-T97 HydrophobicContact CB-CG2 4.41Å; L56-T97 HydrophobicContact CD2-CG2 3.97Å |
| 57 | A | 97.6 | Very high | 97.5 | Very high | 63 Ų | 63 | 50.3 Ų | 50.3 | 52% | 0.521 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.8 | -24.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | T53 D54 A55 V59 | T53-A57 PolarHBondContact O-N 2.78Å; D54-A57 PolarHBondContact O-N 2.9Å; A55-A57 VanDerWaalsContact C-N 3.35Å; A57-V59 VanDerWaalsContact C-N 3.27Å; A57-V59 PolarHBondContact O-N 3.46Å |
| 58 | Q | 98.2 | Very high | 97.6 | Very high | 91 Ų | 91 | 50.1 Ų | 50.1 | 43% | 0.425 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -11.6 | 176 | -65.1 | 170.3 | 54.2 | 0 | 0 | 113.4 | P47 D54 A55 L56 T60 | P47-Q58 HydrophobicContact CB-CB 3.7Å; P47-Q58 HydrophobicContact CB-CG 4.4Å; P47-Q58 HydrophobicContact CG-CB 4.38Å; D54-Q58 PolarHBondContact O-NE2 3.03Å; A55-Q58 PolarHBondContact O-N 2.8Å; L56-Q58 PolarHBondContact O-N 3.42Å; Q58-T60 PolarHBondContact O-N 2.93Å |
| 59 | V | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | trans | -83.4 | 110.3 | 173.9 | -170 | 0 | 0 | 0 | 0 | 109 | L5 A31 P33 F45 P47 L56 A57 I63 L101 | L5-V59 HydrophobicContact CD1-CG2 4.22Å; A31-V59 HydrophobicContact CB-CG1 3.79Å; A31-V59 HydrophobicContact CB-CG2 4.11Å; P33-V59 HydrophobicContact CG-CG2 3.5Å; P33-V59 VanDerWaalsContact CG-CG2 3.5Å; F45-V59 HydrophobicContact CE1-CG2 4.35Å; P47-V59 HydrophobicContact CG-CG2 3.97Å; L56-V59 PolarHBondContact O-N 3.14Å; A57-V59 VanDerWaalsContact C-N 3.27Å; A57-V59 PolarHBondContact O-N 3.46Å; V59-I63 HydrophobicContact CG1-CD1 4.29Å; V59-I63 HydrophobicContact CG1-CG1 4.45Å; V59-L101 HydrophobicContact CB-CD1 4.17Å; V59-L101 HydrophobicContact CG1-CD1 3.73Å | ||
| 60 | T | 97.8 | Very high | 97.6 | Very high | 102 Ų | 102 | 45.3 Ų | 45.3 | 63% | 0.626 | 26% | 0.262 | S | S | * | . | trans | -114.4 | -22.7 | -177.4 | 54.3 | 0 | 0 | 0 | 0 | 113.8 | Q58 L101 | Q58-T60 PolarHBondContact O-N 2.93Å; T60-L101 WeakPolarHBondContact O-CD2 3.45Å | ||
| 61 | D | 97.6 | Very high | 97.3 | Very high | 107 Ų | 107 | 42.7 Ų | 42.7 | 57% | 0.572 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -71 | 150.7 | -178.4 | -64.9 | -20.8 | 0 | 0 | 0 | 111.2 | ||
| 62 | P | 98.3 | Very high | 96.8 | Very high | 93 Ų | 93 | 38 Ų | 38 | 60% | 0.604 | 23% | 0.234 | S | C | * | . | trans | -55.8 | 140.8 | 176.3 | -25.4 | 34.6 | 0 | 0 | 0 | 112.6 | Q3 L101 | Q3-P62 WeakPolarHBondContact CB-O 3.1Å; P62-L101 WeakPolarHBondContact CA-O 3.41Å | ||
| 63 | I | 98.5 | Very high | 96.1 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | trans | -122 | 136.8 | 178.6 | -61.2 | -61.8 | 0 | 0 | 0 | 108.8 | L5 A31 V59 I65 V66 L101 G102 A103 | L5-I63 HydrophobicContact CB-CD1 4.02Å; L5-I63 HydrophobicContact CB-CG1 4.11Å; L5-I63 HydrophobicContact CB-CG2 3.72Å; A31-I63 HydrophobicContact CB-CD1 4.39Å; V59-I63 HydrophobicContact CG1-CD1 4.29Å; V59-I63 HydrophobicContact CG1-CG1 4.45Å; I63-I65 WeakPolarHBondContact CG2-O 3.23Å; I63-V66 HydrophobicContact CG2-CG2 4.01Å; I63-L101 HydrophobicContact CB-CB 4.08Å; I63-L101 HydrophobicContact CG1-CB 3.97Å; I63-L101 HydrophobicContact CG1-CD1 3.77Å; I63-L101 PolarHBondContact N-O 2.89Å; I63-G102 CarbonylContact O-C 3.55Å; I63-A103 HydrophobicContact CB-CB 4.36Å; I63-A103 HydrophobicContact CG2-CB 3.95Å; I63-A103 WeakPolarHBondContact O-CA 3.39Å; I63-A103 PolarHBondContact O-N 3.4Å | ||
| 64 | D | 97.8 | Very high | 95.3 | Very high | 71 Ų | 71 | 45 Ų | 45 | 38% | 0.38 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -97.2 | -41.9 | 174.9 | -59.2 | -58.4 | 0 | 0 | 0 | 111.5 | S2 Q3 A103 Q104 H105 | S2-D64 WeakPolarHBondContact CA-OD2 3.36Å; Q3-D64 PolarHBondContact N-OD2 3.49Å; Q3-D64 PolarHBondContact O-N 3.38Å; D64-A103 WeakPolarHBondContact O-CA 3.4Å; D64-Q104 PolarHBondContact O-N 3.03Å; D64-H105 PolarHBondContact O-N 3.33Å |
| 65 | I | 98.4 | Very high | 94.5 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 134.8 | -172 | -51.7 | 177.9 | 0 | 0 | 0 | 110.5 | Q3 V4 L5 I63 F67 H105 L107 A190 M191 | Q3-I65 PolarHBondContact O-N 3.09Å; V4-I65 WeakPolarHBondContact CA-O 3.19Å; V4-I65 HydrophobicContact CG2-CB 4.43Å; L5-I65 PolarHBondContact N-O 3.08Å; I63-I65 WeakPolarHBondContact CG2-O 3.23Å; I65-F67 HydrophobicContact CB-CE2 4.43Å; I65-F67 HydrophobicContact CG2-CD2 4.11Å; I65-F67 HydrophobicContact CG2-CE2 3.59Å; I65-F67 HydrophobicContact CG2-CZ 3.97Å; I65-H105 CarbonylContact C-O 3.47Å; I65-H105 WeakPolarHBondContact CA-O 3.48Å; I65-H105 HydrophobicContact CG1-CB 4.35Å; I65-H105 HydrophobicContact CG2-CB 4.29Å; I65-L107 HydrophobicContact CG2-CD1 3.5Å; I65-L107 VanDerWaalsContact CG2-CD1 3.5Å; I65-A190 HydrophobicContact CD1-CB 4.34Å; I65-A190 HydrophobicContact CG2-CB 4.25Å; I65-M191 HydrophobicContact CD1-CE 4.31Å |
| 66 | V | 98.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.1 | 177.3 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | L5 I63 T94 A103 H105 M106 L107 W138 | L5-V66 HydrophobicContact CB-CG1 4.44Å; L5-V66 HydrophobicContact CB-CG2 4.35Å; L5-V66 HydrophobicContact CD2-CG1 4.18Å; L5-V66 HydrophobicContact CD2-CG2 4.39Å; L5-V66 HydrophobicContact CG-CG1 4.36Å; L5-V66 CarbonylContact O-C 3.6Å; L5-V66 WeakPolarHBondContact O-CA 3.32Å; I63-V66 HydrophobicContact CG2-CG2 4.01Å; V66-T94 HydrophobicContact CG1-CG2 3.69Å; V66-A103 HydrophobicContact CG2-CB 3.57Å; V66-H105 PolarHBondContact N-O 3.41Å; V66-M106 HydrophobicContact CB-SD 3.54Å; V66-M106 VanDerWaalsContact CB-SD 3.54Å; V66-M106 HydrophobicContact CG1-CE 4.32Å; V66-M106 HydrophobicContact CG1-SD 3.35Å; V66-M106 WeakPolarHBondContact CG1-SD 3.37Å; V66-M106 CarbonylContact O-C 3.49Å; V66-L107 PolarHBondContact O-N 3.03Å; V66-W138 HydrophobicContact CG2-CH2 4.28Å |
| 67 | F | 98.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 118.7 | 168.7 | -62.2 | -93.7 | 0 | 0 | 0 | 109.9 | V4 L5 I6 T7 L17 L21 I65 L107 M186 A190 | V4-F67 HydrophobicContact CG1-CD2 3.44Å; V4-F67 VanDerWaalsContact CG1-CD2 3.44Å; V4-F67 HydrophobicContact CG1-CE2 3.58Å; V4-F67 HydrophobicContact CG2-CE2 4.34Å; L5-F67 PolarHBondContact O-N 2.88Å; I6-F67 CarbonylContact C-O 3.55Å; I6-F67 VanDerWaalsContact CA-O 3.27Å; I6-F67 WeakPolarHBondContact CA-O 3.36Å; I6-F67 HydrophobicContact CB-CB 4.29Å; I6-F67 HydrophobicContact CD1-CB 4.39Å; I6-F67 HydrophobicContact CG1-CB 4.07Å; T7-F67 PolarHBondContact N-O 3.19Å; L17-F67 HydrophobicContact CD1-CE1 4.36Å; L17-F67 HydrophobicContact CD2-CB 3.82Å; L17-F67 HydrophobicContact CD2-CD1 3.52Å; L17-F67 HydrophobicContact CD2-CE1 4.16Å; L17-F67 HydrophobicContact CD2-CG 3.77Å; L21-F67 HydrophobicContact CD1-CD2 4.23Å; L21-F67 HydrophobicContact CD1-CE2 4.3Å; L21-F67 HydrophobicContact CD2-CE2 3.84Å; L21-F67 HydrophobicContact CD2-CZ 4.12Å; I65-F67 HydrophobicContact CB-CE2 4.43Å; I65-F67 HydrophobicContact CG2-CD2 4.11Å; I65-F67 HydrophobicContact CG2-CE2 3.59Å; I65-F67 HydrophobicContact CG2-CZ 3.97Å; F67-L107 CarbonylContact C-O 3.54Å; F67-L107 WeakPolarHBondContact CA-O 3.42Å; F67-L107 HydrophobicContact CD1-CB 3.83Å; F67-L107 HydrophobicContact CD1-CD1 3.88Å; F67-L107 HydrophobicContact CD1-CD2 4.27Å; F67-L107 HydrophobicContact CD1-CG 4.21Å; F67-L107 HydrophobicContact CE1-CB 4.27Å; F67-L107 HydrophobicContact CE1-CD1 3.7Å; F67-L107 HydrophobicContact CE1-CD2 3.87Å; F67-L107 HydrophobicContact CE1-CG 4.16Å; F67-L107 HydrophobicContact CG-CD1 4.45Å; F67-L107 HydrophobicContact CZ-CD1 4.09Å; F67-M186 HydrophobicContact CD1-CB 4.45Å; F67-M186 HydrophobicContact CD1-CE 4.22Å; F67-M186 HydrophobicContact CE1-CB 4.33Å; F67-A190 HydrophobicContact CE1-CB 3.74Å; F67-A190 HydrophobicContact CE2-CB 4.35Å; F67-A190 HydrophobicContact CZ-CB 3.32Å |
| 68 | C | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 105.6 | 172.1 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | T7 T94 M106 L107 V108 V109 | T7-C68 PolarHBondContact OG1-SG 3.21Å; T7-C68 VanDerWaalsContact OG1-SG 3.35Å; C68-T94 HydrophobicContact CB-CG2 4.17Å; C68-M106 HydrophobicContact CB-CE 3.31Å; C68-M106 HydrophobicContact CB-SD 4.49Å; C68-L107 PolarHBondContact N-O 2.85Å; C68-V108 HydrophobicContact CB-CB 4.5Å; C68-V108 HydrophobicContact CB-CG2 4.18Å; C68-V108 WeakPolarHBondContact O-CA 3.43Å; C68-V109 PolarHBondContact O-N 3.42Å |
| 69 | C | 98.3 | Very high | 92.4 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 10% | 0.095 | 31% | 0.314 | C | S | . | . | trans | -103.1 | 19.3 | 174.3 | -61 | 0 | 0 | 0 | 0 | 111.7 | T7 V109 | T7-C69 WeakPolarHBondContact O-CB 3.37Å; T7-C69 PolarHBondContact O-N 3.02Å; C69-V109 HydrophobicContact CB-CG2 4.36Å | ||
| 70 | L | 96.1 | Very high | 92.2 | Very high | 21 Ų | 21 | 61.5 Ų | 61.5 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | trans | -67.1 | 134.5 | 175.1 | -64.2 | 172.9 | 0 | 0 | 0 | 109.8 | L52 L90 V91 | L52-L70 HydrophobicContact CD2-CD1 3.71Å; L52-L70 HydrophobicContact CD2-CD2 3.73Å; L52-L70 HydrophobicContact CD2-CG 4.36Å; L70-L90 HydrophobicContact CD1-CB 3.77Å; L70-V91 HydrophobicContact CB-CG2 4.08Å | ||
| 71 | G | 88.9 | Confident | 92.2 | Very high | 50 Ų | 50 | 62.9 Ų | 62.9 | 52% | 0.515 | 34% | 0.339 | S | S | . | . | trans | 176.2 | 142.9 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | D87 | G71-D87 WeakPolarHBondContact CA-OD1 3.5Š| ||
| 72 | T | 83.9 | Confident | 92 | Very high | 31 Ų | 31 | 59.5 Ų | 59.5 | 19% | 0.19 | 33% | 0.326 | C | S | . | . | trans | -126 | 168.8 | 172.9 | -166.2 | 0 | 0 | 0 | 0 | 110.2 | E76 A77 F83 A86 D87 | T72-E76 VanDerWaalsContact OG1-CB 3.29Å; T72-E76 WeakPolarHBondContact OG1-CB 3.1Å; T72-A77 HydrophobicContact CG2-CB 3.69Å; T72-F83 HydrophobicContact CG2-CD2 3.73Å; T72-F83 HydrophobicContact CG2-CE2 4.13Å; T72-F83 WeakPolarHBondContact O-CE2 3.38Å; T72-A86 HydrophobicContact CG2-CB 4.15Å; T72-D87 WeakPolarHBondContact CG2-OD2 3.3Å; T72-D87 PolarHBondContact N-OD2 3.45Å | ||
| 73 | T | 82 | Confident | 91.9 | Very high | 44 Ų | 44 | 55.1 Ų | 55.1 | 27% | 0.27 | 30% | 0.297 | S | S | . | . | trans | -85.9 | 151.1 | 165.4 | 62.5 | 0 | 0 | 0 | 0 | 109.2 | R75 E76 A77 | T73-R75 PolarHBondContact O-N 2.87Å; T73-R75 VanDerWaalsContact O-N 3.08Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.15Å; T73-E76 PolarHBondContact N-OE2 3.31Å; T73-E76 PolarHBondContact O-N 3.23Å; T73-E76 WeakPolarHBondContact OG1-CB 3.44Å; T73-E76 VanDerWaalsContact OG1-CD 3.24Å; T73-E76 WeakPolarHBondContact OG1-CG 3.4Å; T73-E76 PolarHBondContact OG1-N 3.47Å; T73-E76 VanDerWaalsContact OG1-N 3.16Å; T73-E76 PolarHBondContact OG1-OE2 3.11Å; T73-A77 PolarHBondContact O-N 3.29Å | ||
| 74 | R | 78.4 | Confident | 91.8 | Very high | 169 Ų | 169 | 57.9 Ų | 57.9 | 64% | 0.638 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -52.5 | -34.7 | 174.1 | -170.6 | -177.7 | 69.8 | 87.1 | -3.3 | 112.1 | ||
| 75 | R | 81.1 | Confident | 91.8 | Very high | 216 Ų | 216 | 59 Ų | 59 | 82% | 0.815 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -68.1 | -41.7 | 176.8 | -177.5 | 178.8 | 172.7 | -176.8 | -1.3 | 112.3 | T73 | T73-R75 PolarHBondContact O-N 2.87Å; T73-R75 VanDerWaalsContact O-N 3.08Å |
| 76 | E | 84.1 | Confident | 91.6 | Very high | 89 Ų | 89 | 59.5 Ų | 59.5 | 42% | 0.416 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -77 | -27.6 | -179.7 | -75.1 | 164.9 | 152.5 | 0 | 0 | 113.4 | T72 T73 G78 R153 | T72-E76 VanDerWaalsContact OG1-CB 3.29Å; T72-E76 WeakPolarHBondContact OG1-CB 3.1Å; T73-E76 WeakPolarHBondContact CG2-OE2 3.15Å; T73-E76 PolarHBondContact N-OE2 3.31Å; T73-E76 PolarHBondContact O-N 3.23Å; T73-E76 WeakPolarHBondContact OG1-CB 3.44Å; T73-E76 VanDerWaalsContact OG1-CD 3.24Å; T73-E76 WeakPolarHBondContact OG1-CG 3.4Å; T73-E76 PolarHBondContact OG1-N 3.47Å; T73-E76 VanDerWaalsContact OG1-N 3.16Å; T73-E76 PolarHBondContact OG1-OE2 3.11Å; E76-G78 VanDerWaalsContact C-N 3.26Å; E76-G78 PolarHBondContact O-N 3.02Å; E76-R153 IonicContact OE1-CZ 2.71Å; E76-R153 IonicContact OE1-NH1 3.92Å; E76-R153 PolarHBondContact OE1-NH1 2.93Å; E76-R153 IonicContact OE2-CZ 3.12Å; E76-R153 IonicContact OE2-NH1 3.83Å; E76-R153 PolarHBondContact OE2-NH1 2.84Å |
| 77 | A | 83 | Confident | 91.4 | Very high | 21 Ų | 21 | 59.6 Ų | 59.6 | 17% | 0.174 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.1 | -33.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T72 T73 S79 A82 F83 | T72-A77 HydrophobicContact CG2-CB 3.69Å; T73-A77 PolarHBondContact O-N 3.29Å; A77-S79 PolarHBondContact O-N 3.48Å; A77-S79 VanDerWaalsContact O-N 3.1Å; A77-A82 HydrophobicContact CB-CB 4.33Å; A77-A82 WeakPolarHBondContact O-CB 3.29Å; A77-F83 HydrophobicContact CB-CB 3.73Å; A77-F83 HydrophobicContact CB-CD2 4.13Å; A77-F83 HydrophobicContact CB-CG 4.46Å |
| 78 | G | 87.8 | Confident | 91.4 | Very high | 73 Ų | 73 | 63.1 Ų | 63.1 | 75% | 0.753 | 33% | 0.334 | S | S | * | . | trans | 79.3 | -29.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E76 | E76-G78 VanDerWaalsContact C-N 3.26Å; E76-G78 PolarHBondContact O-N 3.02Å | ||
| 79 | S | 93.2 | Very high | 91.4 | Very high | 48 Ų | 48 | 65.3 Ų | 65.3 | 34% | 0.336 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -143.5 | 168.7 | 174.6 | 77.4 | 0 | 0 | 0 | 0 | 112.9 | A77 E81 A82 F83 | A77-S79 PolarHBondContact O-N 3.48Å; A77-S79 VanDerWaalsContact O-N 3.1Å; S79-E81 VanDerWaalsContact C-N 3.35Å; S79-E81 WeakPolarHBondContact CB-OE2 3.19Å; S79-E81 PolarHBondContact OG-OE2 2.99Å; S79-A82 VanDerWaalsContact OG-CB 3.32Å; S79-A82 WeakPolarHBondContact OG-CB 3.12Å; S79-A82 PolarHBondContact OG-N 3.3Å; S79-F83 WeakPolarHBondContact O-CB 3.27Å; S79-F83 PolarHBondContact O-N 3.44Å; S79-F83 VanDerWaalsContact O-N 3.15Å |
| 80 | K | 94.9 | Very high | 91.4 | Very high | 124 Ų | 124 | 65.1 Ų | 65.1 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.6 | -40.1 | 175.2 | -74.2 | -176.9 | -179.8 | 174 | 0 | 110.6 | F83 I84 F121 | K80-F83 WeakPolarHBondContact O-CB 3.36Å; K80-F83 PolarHBondContact O-N 3.32Å; K80-I84 WeakPolarHBondContact O-CG1 3.23Å; K80-I84 PolarHBondContact O-N 3.26Å; K80-F121 HydrophobicContact CB-CE1 4.14Å; K80-F121 HydrophobicContact CB-CE2 4.06Å; K80-F121 HydrophobicContact CB-CZ 3.57Å; K80-F121 HydrophobicContact CD-CD2 4.37Å; K80-F121 HydrophobicContact CD-CE2 4.13Å; K80-F121 HydrophobicContact CD-CZ 4.34Å; K80-F121 HydrophobicContact CG-CD1 4.43Å; K80-F121 HydrophobicContact CG-CE1 3.96Å; K80-F121 HydrophobicContact CG-CE2 4.05Å; K80-F121 HydrophobicContact CG-CZ 3.74Å |
| 81 | E | 96.9 | Very high | 91.5 | Very high | 131 Ų | 131 | 64.1 Ų | 64.1 | 61% | 0.612 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -65.8 | -45 | -178.5 | -59.8 | 67.3 | -142.5 | 0 | 0 | 110.2 | S79 F83 I84 H85 | S79-E81 VanDerWaalsContact C-N 3.35Å; S79-E81 WeakPolarHBondContact CB-OE2 3.19Å; S79-E81 PolarHBondContact OG-OE2 2.99Å; E81-F83 VanDerWaalsContact C-N 3.29Å; E81-F83 PolarHBondContact O-N 2.66Å; E81-I84 PolarHBondContact O-N 2.66Å; E81-H85 WeakPolarHBondContact O-CB 3.42Å; E81-H85 PolarHBondContact O-N 2.9Å |
| 82 | A | 94.7 | Very high | 92 | Very high | 36 Ų | 36 | 62.7 Ų | 62.7 | 30% | 0.298 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.7 | -34.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A77 S79 A86 | A77-A82 HydrophobicContact CB-CB 4.33Å; A77-A82 WeakPolarHBondContact O-CB 3.29Å; S79-A82 VanDerWaalsContact OG-CB 3.32Å; S79-A82 WeakPolarHBondContact OG-CB 3.12Å; S79-A82 PolarHBondContact OG-N 3.3Å; A82-A86 WeakPolarHBondContact O-CB 3.3Å; A82-A86 PolarHBondContact O-N 3.15Å |
| 83 | F | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -68 | -47.2 | 174.4 | -173.9 | -92.8 | 0 | 0 | 0 | 111.5 | T72 A77 S79 K80 E81 H85 A86 D87 F121 Y122 V125 | T72-F83 HydrophobicContact CG2-CD2 3.73Å; T72-F83 HydrophobicContact CG2-CE2 4.13Å; T72-F83 WeakPolarHBondContact O-CE2 3.38Å; A77-F83 HydrophobicContact CB-CB 3.73Å; A77-F83 HydrophobicContact CB-CD2 4.13Å; A77-F83 HydrophobicContact CB-CG 4.46Å; S79-F83 WeakPolarHBondContact O-CB 3.27Å; S79-F83 PolarHBondContact O-N 3.44Å; S79-F83 VanDerWaalsContact O-N 3.15Å; K80-F83 WeakPolarHBondContact O-CB 3.36Å; K80-F83 PolarHBondContact O-N 3.32Å; E81-F83 VanDerWaalsContact C-N 3.29Å; E81-F83 PolarHBondContact O-N 2.66Å; F83-H85 VanDerWaalsContact C-N 3.3Å; F83-H85 PolarHBondContact O-N 3.46Å; F83-A86 PolarHBondContact O-N 3.14Å; F83-D87 HydrophobicContact CD1-CB 4.36Å; F83-D87 HydrophobicContact CE1-CB 3.89Å; F83-D87 HydrophobicContact CE2-CB 4.19Å; F83-D87 HydrophobicContact CZ-CB 3.78Å; F83-D87 WeakPolarHBondContact O-CB 3.37Å; F83-D87 PolarHBondContact O-N 3.24Å; F83-F121 HydrophobicContact CB-CE1 4.01Å; F83-F121 HydrophobicContact CB-CZ 4.45Å; F83-F121 HydrophobicContact CD1-CD1 4.32Å; F83-F121 AromaticContact CD1-CE1 3.51Å; F83-F121 HydrophobicContact CD1-CE1 3.51Å; F83-F121 HydrophobicContact CD1-CZ 4.05Å; F83-F121 HydrophobicContact CE1-CE1 4.34Å; F83-F121 AromaticContact CG-CE1 3.96Å; F83-F121 HydrophobicContact CG-CE1 3.96Å; F83-Y122 HydrophobicContact CE1-CD2 4.14Å; F83-Y122 AromaticContact CE2-CD2 3.65Å; F83-Y122 HydrophobicContact CE2-CD2 3.65Å; F83-Y122 AromaticContact CE2-CE2 3.81Å; F83-Y122 HydrophobicContact CE2-CE2 3.81Å; F83-Y122 AromaticContact CZ-CD2 3.24Å; F83-Y122 HydrophobicContact CZ-CD2 3.24Å; F83-Y122 AromaticContact CZ-CE2 3.53Å; F83-Y122 HydrophobicContact CZ-CE2 3.53Å; F83-Y122 HydrophobicContact CZ-CG 4.22Å; F83-V125 HydrophobicContact CD1-CB 4.18Å; F83-V125 HydrophobicContact CD1-CG1 3.95Å; F83-V125 HydrophobicContact CD1-CG2 4.26Å; F83-V125 HydrophobicContact CE1-CB 3.8Å; F83-V125 HydrophobicContact CE1-CG1 3.72Å; F83-V125 HydrophobicContact CE1-CG2 4.31Å |
| 84 | I | 97.9 | Very high | 93.5 | Very high | 65 Ų | 65 | 61.2 Ų | 61.2 | 33% | 0.333 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 175.3 | -69.8 | 161.3 | 0 | 0 | 0 | 109.8 | K80 E81 A86 Y88 T89 F121 V125 | K80-I84 WeakPolarHBondContact O-CG1 3.23Å; K80-I84 PolarHBondContact O-N 3.26Å; E81-I84 PolarHBondContact O-N 2.66Å; I84-A86 PolarHBondContact O-N 2.89Å; I84-Y88 WeakPolarHBondContact O-CA 3.42Å; I84-Y88 VanDerWaalsContact O-CB 3.23Å; I84-Y88 WeakPolarHBondContact O-CB 2.93Å; I84-Y88 PolarHBondContact O-N 2.88Å; I84-T89 PolarHBondContact O-N 2.95Å; I84-F121 HydrophobicContact CD1-CE2 4.08Å; I84-F121 HydrophobicContact CD1-CZ 4.08Å; I84-F121 HydrophobicContact CG1-CE2 4.23Å; I84-F121 HydrophobicContact CG1-CZ 3.9Å; I84-V125 HydrophobicContact CG1-CG1 4.42Å; I84-V125 HydrophobicContact CG1-CG2 3.93Å |
| 85 | H | 96.3 | Very high | 94.4 | Very high | 95 Ų | 95 | 53.1 Ų | 53.1 | 44% | 0.44 | 28% | 0.28 | S | S | . | . | I | π-helix | trans | -58.6 | -47.6 | 178.7 | -176.9 | 64.4 | 0 | 0 | 0 | 111.9 | E81 F83 T89 L90 | E81-H85 WeakPolarHBondContact O-CB 3.42Å; E81-H85 PolarHBondContact O-N 2.9Å; F83-H85 VanDerWaalsContact C-N 3.3Å; F83-H85 PolarHBondContact O-N 3.46Å; H85-T89 WeakPolarHBondContact O-CB 3.06Å; H85-T89 PolarHBondContact O-N 3.47Å; H85-L90 WeakPolarHBondContact O-CG 3.47Å; H85-L90 PolarHBondContact O-N 3.12Å |
| 86 | A | 95.1 | Very high | 95.3 | Very high | 23 Ų | 23 | 46.9 Ų | 46.9 | 19% | 0.19 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -73.4 | -42.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T72 A82 F83 I84 | T72-A86 HydrophobicContact CG2-CB 4.15Å; A82-A86 WeakPolarHBondContact O-CB 3.3Å; A82-A86 PolarHBondContact O-N 3.15Å; F83-A86 PolarHBondContact O-N 3.14Å; I84-A86 PolarHBondContact O-N 2.89Å |
| 87 | D | 95.6 | Very high | 96 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -100.1 | -9.6 | -169.6 | -79.6 | -116.1 | 0 | 0 | 0 | 113.8 | G71 T72 F83 V125 K126 | G71-D87 WeakPolarHBondContact CA-OD1 3.5Å; T72-D87 WeakPolarHBondContact CG2-OD2 3.3Å; T72-D87 PolarHBondContact N-OD2 3.45Å; F83-D87 HydrophobicContact CD1-CB 4.36Å; F83-D87 HydrophobicContact CE1-CB 3.89Å; F83-D87 HydrophobicContact CE2-CB 4.19Å; F83-D87 HydrophobicContact CZ-CB 3.78Å; F83-D87 WeakPolarHBondContact O-CB 3.37Å; F83-D87 PolarHBondContact O-N 3.24Å; D87-V125 HydrophobicContact CB-CG1 4.44Å; D87-K126 WeakPolarHBondContact OD1-CE 3.25Å; D87-K126 IonicContact OD1-NZ 3.53Å; D87-K126 PolarHBondContact OD1-NZ 3.5Å |
| 88 | Y | 98.4 | Very high | 96.7 | Very high | 75 Ų | 75 | 42.5 Ų | 42.5 | 29% | 0.294 | 24% | 0.24 | S | C | . | . | I | π-helix | trans | -121.9 | -64.3 | 173.3 | -178.4 | -76 | 0 | 0 | 0 | 111.2 | I84 L90 V91 V92 E128 M129 A132 | I84-Y88 WeakPolarHBondContact O-CA 3.42Å; I84-Y88 VanDerWaalsContact O-CB 3.23Å; I84-Y88 WeakPolarHBondContact O-CB 2.93Å; I84-Y88 PolarHBondContact O-N 2.88Å; Y88-L90 PolarHBondContact O-N 2.91Å; Y88-V91 WeakPolarHBondContact O-CB 3.19Å; Y88-V91 PolarHBondContact O-N 2.9Å; Y88-V92 HydrophobicContact CD1-CG2 4.3Å; Y88-V92 HydrophobicContact CE1-CG2 4.06Å; Y88-V92 WeakPolarHBondContact O-CG2 3.44Å; Y88-V92 PolarHBondContact O-N 3.16Å; Y88-E128 HydrophobicContact CD2-CB 4.06Å; Y88-E128 VanDerWaalsContact CE2-C 3.47Å; Y88-E128 HydrophobicContact CE2-CB 3.86Å; Y88-E128 WeakPolarHBondContact CE2-O 3.47Å; Y88-M129 VanDerWaalsContact CD2-CA 3.47Å; Y88-M129 HydrophobicContact CD2-CB 3.72Å; Y88-M129 HydrophobicContact CE2-CB 4.42Å; Y88-M129 HydrophobicContact CG-CB 4.33Å; Y88-A132 HydrophobicContact CE2-CB 4.08Å; Y88-A132 WeakPolarHBondContact OH-CB 3.24Å |
| 89 | T | 98.1 | Very high | 97.2 | Very high | 45 Ų | 45 | 44.4 Ų | 44.4 | 28% | 0.276 | 22% | 0.224 | S | C | . | . | I | π-helix | trans | -61.5 | -54.7 | -168.4 | -53.9 | 0 | 0 | 0 | 0 | 111.7 | I84 H85 V91 V92 D93 | I84-T89 PolarHBondContact O-N 2.95Å; H85-T89 WeakPolarHBondContact O-CB 3.06Å; H85-T89 PolarHBondContact O-N 3.47Å; T89-V91 PolarHBondContact O-N 2.77Å; T89-V92 PolarHBondContact O-N 2.95Å; T89-V92 VanDerWaalsContact O-N 3.16Å; T89-D93 VanDerWaalsContact O-CG 3.31Å; T89-D93 PolarHBondContact O-N 3.26Å |
| 90 | L | 98.1 | Very high | 97.5 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.2 | -25.6 | -179.2 | -67.1 | 179 | 0 | 0 | 0 | 113.1 | L52 L70 H85 Y88 T94 | L52-L90 HydrophobicContact CB-CD1 4.28Å; L52-L90 HydrophobicContact CB-CD2 4.21Å; L52-L90 HydrophobicContact CD2-CB 4.47Å; L52-L90 HydrophobicContact CD2-CD1 4.18Å; L70-L90 HydrophobicContact CD1-CB 3.77Å; H85-L90 WeakPolarHBondContact O-CG 3.47Å; H85-L90 PolarHBondContact O-N 3.12Å; Y88-L90 PolarHBondContact O-N 2.91Å; L90-T94 WeakPolarHBondContact O-CB 2.99Å; L90-T94 PolarHBondContact O-N 2.91Å; L90-T94 PolarHBondContact O-OG1 3.34Å |
| 91 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.7 | -47.3 | 174 | 179 | 0 | 0 | 0 | 0 | 110.1 | L70 Y88 T89 T94 A95 V108 M129 L133 | L70-V91 HydrophobicContact CB-CG2 4.08Å; Y88-V91 WeakPolarHBondContact O-CB 3.19Å; Y88-V91 PolarHBondContact O-N 2.9Å; T89-V91 PolarHBondContact O-N 2.77Å; V91-T94 WeakPolarHBondContact O-CB 3.33Å; V91-T94 PolarHBondContact O-N 2.99Å; V91-A95 PolarHBondContact O-N 2.8Å; V91-V108 HydrophobicContact CG1-CG2 3.79Å; V91-M129 HydrophobicContact CB-CG 3.99Å; V91-M129 HydrophobicContact CG1-CG 3.72Å; V91-M129 HydrophobicContact CG1-SD 3.67Å; V91-L133 HydrophobicContact CG1-CD1 4.16Å |
| 92 | V | 98.6 | Very high | 97.7 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 12% | 0.121 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 175.6 | 171.6 | 0 | 0 | 0 | 0 | 110.8 | Y88 T89 T94 A95 L96 A132 | Y88-V92 HydrophobicContact CD1-CG2 4.3Å; Y88-V92 HydrophobicContact CE1-CG2 4.06Å; Y88-V92 WeakPolarHBondContact O-CG2 3.44Å; Y88-V92 PolarHBondContact O-N 3.16Å; T89-V92 PolarHBondContact O-N 2.95Å; T89-V92 VanDerWaalsContact O-N 3.16Å; V92-T94 VanDerWaalsContact C-N 3.33Å; V92-T94 PolarHBondContact O-N 2.96Å; V92-A95 WeakPolarHBondContact O-CB 3.36Å; V92-A95 PolarHBondContact O-N 2.81Å; V92-A95 VanDerWaalsContact O-N 3.12Å; V92-L96 HydrophobicContact CG1-CD1 3.95Å; V92-L96 HydrophobicContact CG1-CG 4.25Å; V92-L96 WeakPolarHBondContact O-CG 3.46Å; V92-L96 PolarHBondContact O-N 3.08Å; V92-A132 HydrophobicContact CG2-CB 4.01Å |
| 93 | D | 98.3 | Very high | 97.9 | Very high | 44 Ų | 44 | 38.2 Ų | 38.2 | 24% | 0.235 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.2 | -38.3 | 177.2 | -68.9 | -12.8 | 0 | 0 | 0 | 112.3 | T89 A95 T97 | T89-D93 VanDerWaalsContact O-CG 3.31Å; T89-D93 PolarHBondContact O-N 3.26Å; D93-A95 VanDerWaalsContact C-N 3.34Å; D93-T97 WeakPolarHBondContact O-CB 3.47Å; D93-T97 PolarHBondContact O-N 3.1Å; D93-T97 PolarHBondContact O-OG1 3.04Å |
| 94 | T | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -48.2 | 172.2 | -62.1 | 0 | 0 | 0 | 0 | 110.1 | L5 T7 V66 C68 L90 V91 V92 T97 G98 | L5-T94 HydrophobicContact CD2-CG2 4.49Å; T7-T94 HydrophobicContact CG2-CG2 3.72Å; T7-T94 WeakPolarHBondContact CG2-OG1 3.42Å; T7-T94 WeakPolarHBondContact OG1-CG2 3.2Å; T7-T94 PolarHBondContact OG1-OG1 2.97Å; T7-T94 VanDerWaalsContact OG1-OG1 3.11Å; V66-T94 HydrophobicContact CG1-CG2 3.69Å; C68-T94 HydrophobicContact CB-CG2 4.17Å; L90-T94 WeakPolarHBondContact O-CB 2.99Å; L90-T94 PolarHBondContact O-N 2.91Å; L90-T94 PolarHBondContact O-OG1 3.34Å; V91-T94 WeakPolarHBondContact O-CB 3.33Å; V91-T94 PolarHBondContact O-N 2.99Å; V92-T94 VanDerWaalsContact C-N 3.33Å; V92-T94 PolarHBondContact O-N 2.96Å; T94-T97 PolarHBondContact O-N 3.43Å; T94-G98 PolarHBondContact O-N 3.35Å |
| 95 | A | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62 | -48 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | V91 V92 D93 T97 G98 R99 M106 L133 W138 | V91-A95 PolarHBondContact O-N 2.8Å; V92-A95 WeakPolarHBondContact O-CB 3.36Å; V92-A95 PolarHBondContact O-N 2.81Å; V92-A95 VanDerWaalsContact O-N 3.12Å; D93-A95 VanDerWaalsContact C-N 3.34Å; A95-T97 VanDerWaalsContact C-N 3.31Å; A95-T97 PolarHBondContact O-N 2.71Å; A95-G98 PolarHBondContact O-N 2.94Å; A95-R99 WeakPolarHBondContact O-CG 3.32Å; A95-R99 PolarHBondContact O-N 3.49Å; A95-M106 HydrophobicContact CB-CE 4.09Å; A95-M106 HydrophobicContact CB-SD 4.49Å; A95-L133 HydrophobicContact CB-CD2 3.38Å; A95-W138 HydrophobicContact CB-CZ2 3.81Å; A95-W138 WeakPolarHBondContact O-CH2 3.38Å; A95-W138 VanDerWaalsContact O-CZ2 3.26Å; A95-W138 WeakPolarHBondContact O-CZ2 3.49Å |
| 96 | L | 98.5 | Very high | 98.1 | Very high | 84 Ų | 84 | 35.8 Ų | 35.8 | 44% | 0.44 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -60.6 | -40.3 | 177.2 | -68.2 | 174.5 | 0 | 0 | 0 | 112.2 | V92 R99 R100 | V92-L96 HydrophobicContact CG1-CD1 3.95Å; V92-L96 HydrophobicContact CG1-CG 4.25Å; V92-L96 WeakPolarHBondContact O-CG 3.46Å; V92-L96 PolarHBondContact O-N 3.08Å; L96-R99 PolarHBondContact O-N 2.91Å; L96-R100 WeakPolarHBondContact O-CB 3.38Å; L96-R100 PolarHBondContact O-N 3.15Å |
| 97 | T | 98.7 | Very high | 98.2 | Very high | 18 Ų | 18 | 34.7 Ų | 34.7 | 11% | 0.11 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | 174.6 | -63.7 | 0 | 0 | 0 | 0 | 111.1 | L5 L56 D93 T94 A95 R99 R100 L101 | L5-T97 HydrophobicContact CD2-CG2 4.18Å; L56-T97 HydrophobicContact CB-CG2 4.41Å; L56-T97 HydrophobicContact CD2-CG2 3.97Å; D93-T97 WeakPolarHBondContact O-CB 3.47Å; D93-T97 PolarHBondContact O-N 3.1Å; D93-T97 PolarHBondContact O-OG1 3.04Å; T94-T97 PolarHBondContact O-N 3.43Å; A95-T97 VanDerWaalsContact C-N 3.31Å; A95-T97 PolarHBondContact O-N 2.71Å; T97-R99 PolarHBondContact O-N 3.34Å; T97-R100 PolarHBondContact O-N 2.85Å; T97-L101 HydrophobicContact CG2-CD1 3.99Å; T97-L101 WeakPolarHBondContact O-CG 3.37Å; T97-L101 PolarHBondContact O-N 2.95Å; T97-L101 VanDerWaalsContact O-N 3.16Å |
| 98 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.8 | -48.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T94 A95 R100 L101 G102 A103 | T94-G98 PolarHBondContact O-N 3.35Å; A95-G98 PolarHBondContact O-N 2.94Å; G98-R100 VanDerWaalsContact C-N 3.34Å; G98-R100 PolarHBondContact O-N 3.16Å; G98-L101 CarbonylContact O-C 3.57Å; G98-L101 WeakPolarHBondContact O-CA 3.4Å; G98-L101 PolarHBondContact O-N 3.19Å; G98-G102 PolarHBondContact O-N 3.25Å; G98-A103 VanDerWaalsContact O-CB 3.24Å; G98-A103 WeakPolarHBondContact O-CB 3.47Å; G98-A103 PolarHBondContact O-N 3.28Å |
| 99 | R | 98.5 | Very high | 98.4 | Very high | 114 Ų | 114 | 31.7 Ų | 31.7 | 43% | 0.43 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 178.5 | -64.6 | -172.4 | 68.5 | -158.9 | 4.2 | 112.2 | A95 L96 T97 L101 G102 Q136 W138 | A95-R99 WeakPolarHBondContact O-CG 3.32Å; A95-R99 PolarHBondContact O-N 3.49Å; L96-R99 PolarHBondContact O-N 2.91Å; T97-R99 PolarHBondContact O-N 3.34Å; R99-L101 PolarHBondContact O-N 3Å; R99-G102 PolarHBondContact O-N 2.84Å; R99-Q136 PolarHBondContact NH1-O 2.99Å; R99-Q136 PolarHBondContact NH2-O 2.89Å; R99-Q136 VanDerWaalsContact NH2-O 3.11Å; R99-W138 HydrophobicContact CB-CH2 4.33Å; R99-W138 HydrophobicContact CG-CD2 4.23Å; R99-W138 HydrophobicContact CG-CE3 4.2Å; R99-W138 HydrophobicContact CG-CH2 3.22Å; R99-W138 HydrophobicContact CG-CZ2 3.21Å; R99-W138 HydrophobicContact CG-CZ3 3.74Å |
| 100 | R | 98.3 | Very high | 98.4 | Very high | 146 Ų | 146 | 29.7 Ų | 29.7 | 55% | 0.551 | 15% | 0.147 | S | C | * | . | H | α-helix | trans | -57.6 | -31.8 | 176 | 179.3 | 179.2 | 59.2 | 73 | -2.8 | 111.8 | L96 T97 G98 | L96-R100 WeakPolarHBondContact O-CB 3.38Å; L96-R100 PolarHBondContact O-N 3.15Å; T97-R100 PolarHBondContact O-N 2.85Å; G98-R100 VanDerWaalsContact C-N 3.34Å; G98-R100 PolarHBondContact O-N 3.16Å |
| 101 | L | 98.6 | Very high | 98.3 | Very high | 19 Ų | 19 | 29.5 Ų | 29.5 | 10% | 0.099 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 6.8 | 179.6 | -62.6 | 172.5 | 0 | 0 | 0 | 113.8 | V59 T60 P62 I63 T97 G98 R99 | V59-L101 HydrophobicContact CB-CD1 4.17Å; V59-L101 HydrophobicContact CG1-CD1 3.73Å; T60-L101 WeakPolarHBondContact O-CD2 3.45Å; P62-L101 WeakPolarHBondContact CA-O 3.41Å; I63-L101 HydrophobicContact CB-CB 4.08Å; I63-L101 HydrophobicContact CG1-CB 3.97Å; I63-L101 HydrophobicContact CG1-CD1 3.77Å; I63-L101 PolarHBondContact N-O 2.89Å; T97-L101 HydrophobicContact CG2-CD1 3.99Å; T97-L101 WeakPolarHBondContact O-CG 3.37Å; T97-L101 PolarHBondContact O-N 2.95Å; T97-L101 VanDerWaalsContact O-N 3.16Å; G98-L101 CarbonylContact O-C 3.57Å; G98-L101 WeakPolarHBondContact O-CA 3.4Å; G98-L101 PolarHBondContact O-N 3.19Å; R99-L101 PolarHBondContact O-N 3Å |
| 102 | G | 98.3 | Very high | 98.1 | Very high | 39 Ų | 39 | 32.9 Ų | 32.9 | 40% | 0.402 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | 2.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | I63 G98 R99 Q104 | I63-G102 CarbonylContact O-C 3.55Å; G98-G102 PolarHBondContact O-N 3.25Å; R99-G102 PolarHBondContact O-N 2.84Å; G102-Q104 PolarHBondContact O-N 3.43Å; G102-Q104 PolarHBondContact O-NE2 2.87Å |
| 103 | A | 98.3 | Very high | 97.9 | Very high | 4 Ų | 4 | 34 Ų | 34 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | trans | -62.2 | 136.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I63 D64 V66 G98 W138 | I63-A103 HydrophobicContact CB-CB 4.36Å; I63-A103 HydrophobicContact CG2-CB 3.95Å; I63-A103 WeakPolarHBondContact O-CA 3.39Å; I63-A103 PolarHBondContact O-N 3.4Å; D64-A103 WeakPolarHBondContact O-CA 3.4Å; V66-A103 HydrophobicContact CG2-CB 3.57Å; G98-A103 VanDerWaalsContact O-CB 3.24Å; G98-A103 WeakPolarHBondContact O-CB 3.47Å; G98-A103 PolarHBondContact O-N 3.28Å; A103-W138 HydrophobicContact CB-CH2 4.29Å; A103-W138 HydrophobicContact CB-CZ3 3.88Å; A103-W138 VanDerWaalsContact O-CZ3 3.27Å; A103-W138 WeakPolarHBondContact O-CZ3 3.04Å | ||
| 104 | Q | 96.6 | Very high | 97.8 | Very high | 98 Ų | 98 | 32.2 Ų | 32.2 | 46% | 0.458 | 17% | 0.17 | S | C | . | . | trans | -107.3 | -22.9 | -179.7 | -61.7 | -53.5 | -50.3 | 0 | 0 | 112.4 | D64 G102 Q139 K140 | D64-Q104 PolarHBondContact O-N 3.03Å; G102-Q104 PolarHBondContact O-N 3.43Å; G102-Q104 PolarHBondContact O-NE2 2.87Å; Q104-Q139 HydrophobicContact CB-CB 4.23Å; Q104-K140 PolarHBondContact O-N 3.48Å | ||
| 105 | H | 98 | Very high | 97.8 | Very high | 12 Ų | 12 | 36 Ų | 36 | 6% | 0.056 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 121.9 | 178.5 | -171 | -173.5 | 0 | 0 | 0 | 111.5 | D64 I65 V66 L107 K140 T142 | D64-H105 PolarHBondContact O-N 3.33Å; I65-H105 CarbonylContact C-O 3.47Å; I65-H105 WeakPolarHBondContact CA-O 3.48Å; I65-H105 HydrophobicContact CG1-CB 4.35Å; I65-H105 HydrophobicContact CG2-CB 4.29Å; V66-H105 PolarHBondContact N-O 3.41Å; H105-L107 VanDerWaalsContact CE1-CD1 3.43Å; H105-L107 WeakPolarHBondContact CE1-CD1 3.21Å; H105-L107 WeakPolarHBondContact NE2-CD1 3.26Å; H105-L107 WeakPolarHBondContact NE2-CG 3.47Å; H105-K140 VanDerWaalsContact CA-O 3.32Å; H105-K140 WeakPolarHBondContact CA-O 3.5Å; H105-K140 HydrophobicContact CB-CB 4.07Å; H105-K140 HydrophobicContact CB-CD 4.47Å; H105-K140 VanDerWaalsContact CD2-CG 3.4Å; H105-K140 WeakPolarHBondContact CD2-CG 3.39Å; H105-K140 PolarHBondContact CD2-O 3.06Å; H105-K140 WeakPolarHBondContact CE1-CD 3.49Å; H105-K140 WeakPolarHBondContact CE1-CE 3.47Å; H105-K140 WeakPolarHBondContact NE2-CD 3.1Å; H105-K140 WeakPolarHBondContact NE2-CG 3.34Å; H105-T142 PolarHBondContact NE2-OG1 2.98Å |
| 106 | M | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 132.1 | 168.5 | 175 | 63.5 | 173.5 | 0 | 0 | 110.4 | V66 C68 A95 V108 L133 W138 K140 L141 T142 | V66-M106 HydrophobicContact CB-SD 3.54Å; V66-M106 VanDerWaalsContact CB-SD 3.54Å; V66-M106 HydrophobicContact CG1-CE 4.32Å; V66-M106 HydrophobicContact CG1-SD 3.35Å; V66-M106 WeakPolarHBondContact CG1-SD 3.37Å; V66-M106 CarbonylContact O-C 3.49Å; C68-M106 HydrophobicContact CB-CE 3.31Å; C68-M106 HydrophobicContact CB-SD 4.49Å; A95-M106 HydrophobicContact CB-CE 4.09Å; A95-M106 HydrophobicContact CB-SD 4.49Å; M106-V108 HydrophobicContact CE-CB 4.13Å; M106-L133 HydrophobicContact CE-CD1 4.44Å; M106-W138 HydrophobicContact CB-CD2 3.64Å; M106-W138 HydrophobicContact CB-CE3 3.8Å; M106-W138 HydrophobicContact CB-CG 4.23Å; M106-W138 HydrophobicContact CB-CH2 3.93Å; M106-W138 HydrophobicContact CB-CZ2 3.78Å; M106-W138 HydrophobicContact CB-CZ3 3.94Å; M106-W138 HydrophobicContact CG-CZ2 4.19Å; M106-K140 PolarHBondContact N-O 3.44Å; M106-L141 HydrophobicContact CB-CD1 3.94Å; M106-L141 HydrophobicContact CG-CD1 3.81Å; M106-L141 CarbonylContact O-C 3.18Å; M106-L141 WeakPolarHBondContact O-CA 3.42Å; M106-T142 PolarHBondContact O-N 3.17Å |
| 107 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 130.3 | 170.4 | -56.5 | 92.4 | 0 | 0 | 0 | 109.6 | I65 V66 F67 C68 H105 T142 M186 E189 A190 | I65-L107 HydrophobicContact CG2-CD1 3.5Å; I65-L107 VanDerWaalsContact CG2-CD1 3.5Å; V66-L107 PolarHBondContact O-N 3.03Å; F67-L107 CarbonylContact C-O 3.54Å; F67-L107 WeakPolarHBondContact CA-O 3.42Å; F67-L107 HydrophobicContact CD1-CB 3.83Å; F67-L107 HydrophobicContact CD1-CD1 3.88Å; F67-L107 HydrophobicContact CD1-CD2 4.27Å; F67-L107 HydrophobicContact CD1-CG 4.21Å; F67-L107 HydrophobicContact CE1-CB 4.27Å; F67-L107 HydrophobicContact CE1-CD1 3.7Å; F67-L107 HydrophobicContact CE1-CD2 3.87Å; F67-L107 HydrophobicContact CE1-CG 4.16Å; F67-L107 HydrophobicContact CG-CD1 4.45Å; F67-L107 HydrophobicContact CZ-CD1 4.09Å; C68-L107 PolarHBondContact N-O 2.85Å; H105-L107 VanDerWaalsContact CE1-CD1 3.43Å; H105-L107 WeakPolarHBondContact CE1-CD1 3.21Å; H105-L107 WeakPolarHBondContact NE2-CD1 3.26Å; H105-L107 WeakPolarHBondContact NE2-CG 3.47Å; L107-T142 CarbonylContact C-O 3.55Å; L107-T142 VanDerWaalsContact CA-O 3.3Å; L107-T142 WeakPolarHBondContact CA-O 3.48Å; L107-T142 HydrophobicContact CD2-CG2 4.2Å; L107-M186 HydrophobicContact CB-CE 3.81Å; L107-M186 HydrophobicContact CD2-CB 4.39Å; L107-M186 VanDerWaalsContact CD2-O 3.25Å; L107-M186 WeakPolarHBondContact CD2-O 3.31Å; L107-E189 HydrophobicContact CD2-CB 4.29Å; L107-A190 HydrophobicContact CD1-CB 3.96Å; L107-A190 HydrophobicContact CD2-CB 4.05Å |
| 108 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.4 | -176.9 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | C68 V91 M106 M129 L133 T142 I143 A144 | C68-V108 HydrophobicContact CB-CB 4.5Å; C68-V108 HydrophobicContact CB-CG2 4.18Å; C68-V108 WeakPolarHBondContact O-CA 3.43Å; V91-V108 HydrophobicContact CG1-CG2 3.79Å; M106-V108 HydrophobicContact CE-CB 4.13Å; V108-M129 HydrophobicContact CG2-CE 4.16Å; V108-M129 HydrophobicContact CG2-SD 4.07Å; V108-L133 HydrophobicContact CB-CD1 4.07Å; V108-L133 HydrophobicContact CG1-CD1 3.72Å; V108-L133 HydrophobicContact CG2-CD1 4.17Å; V108-T142 PolarHBondContact N-O 3.01Å; V108-I143 HydrophobicContact CG1-CB 4.3Å; V108-I143 HydrophobicContact CG1-CG1 3.92Å; V108-I143 HydrophobicContact CG1-CG2 4.32Å; V108-A144 PolarHBondContact O-N 3.39Å |
| 109 | V | 98.6 | Very high | 97.6 | Very high | 12 Ų | 12 | 45 Ų | 45 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 106.6 | 168.3 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | V13 C68 C69 P146 M186 | V13-V109 HydrophobicContact CB-CG2 4.39Å; V13-V109 HydrophobicContact CG1-CG2 3.98Å; C68-V109 PolarHBondContact O-N 3.42Å; C69-V109 HydrophobicContact CB-CG2 4.36Å; V109-P146 HydrophobicContact CG1-CG 4.06Å; V109-M186 HydrophobicContact CG2-CE 3.83Å; V109-M186 HydrophobicContact CG2-SD 3.49Å; V109-M186 WeakPolarHBondContact CG2-SD 3.35Å |
| 110 | S | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.028 | 25% | 0.251 | C | S | . | . | trans | -97.6 | -142.1 | 169.3 | -170.3 | 0 | 0 | 0 | 0 | 110.4 | E130 A144 | S110-E130 WeakPolarHBondContact CB-OE1 3.37Å; S110-E130 PolarHBondContact OG-OE1 3.18Å; S110-A144 CarbonylContact C-O 3.58Å; S110-A144 WeakPolarHBondContact CA-O 3.37Å; S110-A144 PolarHBondContact N-O 2.84Å | ||
| 111 | A | 95.7 | Very high | 97.2 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 4% | 0.041 | 23% | 0.231 | C | C | . | . | trans | -151.1 | 151.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G113 A114 Y122 K126 R145 | A111-G113 PolarHBondContact O-N 2.85Å; A111-A114 WeakPolarHBondContact O-CB 3.38Å; A111-A114 PolarHBondContact O-N 3.31Å; A111-Y122 HydrophobicContact CB-CE1 3.6Å; A111-K126 HydrophobicContact CB-CG 4.25Å; A111-R145 WeakPolarHBondContact O-CG 3.27Å | ||
| 112 | M | 94.7 | Very high | 97 | Very high | 71 Ų | 71 | 43.9 Ų | 43.9 | 35% | 0.35 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 127.9 | 167.5 | 178.9 | 177.5 | 63.5 | 0 | 0 | 110.5 | P146 | M112-P146 WeakPolarHBondContact CB-O 3.37Å; M112-P146 PolarHBondContact N-O 2.77Å |
| 113 | G | 94 | Very high | 96.9 | Very high | 43 Ų | 43 | 43.8 Ų | 43.8 | 44% | 0.443 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 4.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A111 N115 N123 | A111-G113 PolarHBondContact O-N 2.85Å; G113-N115 PolarHBondContact O-N 2.54Å; G113-N123 WeakPolarHBondContact O-CB 3.35Å; G113-N123 PolarHBondContact O-ND2 3.34Å |
| 114 | A | 97.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 48 Ų | 48 | 6% | 0.058 | 25% | 0.247 | C | C | . | . | trans | -53.1 | 126 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A111 N123 K126 E130 | A111-A114 WeakPolarHBondContact O-CB 3.38Å; A111-A114 PolarHBondContact O-N 3.31Å; A114-N123 WeakPolarHBondContact CA-O 3.41Å; A114-K126 HydrophobicContact CB-CB 3.77Å; A114-E130 WeakPolarHBondContact CB-OE1 3.43Å | ||
| 115 | N | 98.3 | Very high | 96.9 | Very high | 80 Ų | 80 | 43.4 Ų | 43.4 | 43% | 0.428 | 23% | 0.225 | S | C | . | . | trans | -165.6 | 120.4 | -177.2 | 175.1 | -8.3 | 0 | 0 | 0 | 108.6 | G113 H117 S118 N123 R124 | G113-N115 PolarHBondContact O-N 2.54Å; N115-H117 PolarHBondContact O-N 2.75Å; N115-H117 VanDerWaalsContact O-N 3.12Å; N115-H117 PolarHBondContact OD1-N 3.31Å; N115-S118 WeakPolarHBondContact O-CB 3.33Å; N115-S118 PolarHBondContact O-N 3Å; N115-N123 PolarHBondContact N-O 3.32Å; N115-R124 VanDerWaalsContact O-CA 3.31Å; N115-R124 WeakPolarHBondContact O-CA 3.38Å | ||
| 116 | A | 98.1 | Very high | 96.9 | Very high | 10 Ų | 10 | 43 Ų | 43 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -17.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R124 E128 E131 | A116-R124 WeakPolarHBondContact O-CG 3.47Å; A116-E128 HydrophobicContact CB-CG 3.86Å; A116-E131 HydrophobicContact CB-CG 4.36Å; A116-E131 WeakPolarHBondContact CB-OE1 3.39Å; A116-E131 WeakPolarHBondContact CB-OE2 3.32Å |
| 117 | H | 98 | Very high | 96.9 | Very high | 158 Ų | 158 | 43.2 Ų | 43.2 | 73% | 0.731 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 7.6 | 175 | -54.8 | -49.4 | 0 | 0 | 0 | 113.3 | N115 | N115-H117 PolarHBondContact O-N 2.75Å; N115-H117 VanDerWaalsContact O-N 3.12Å; N115-H117 PolarHBondContact OD1-N 3.31Å |
| 118 | S | 97 | Very high | 96.9 | Very high | 10 Ų | 10 | 46.5 Ų | 46.5 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | trans | -63.3 | 136.5 | 178.5 | 168.6 | 0 | 0 | 0 | 0 | 111.7 | N115 F120 N123 | N115-S118 WeakPolarHBondContact O-CB 3.33Å; N115-S118 PolarHBondContact O-N 3Å; S118-F120 PolarHBondContact O-N 3.27Å; S118-F120 PolarHBondContact OG-N 3.49Å; S118-F120 PolarHBondContact OG-O 3.46Å; S118-F120 VanDerWaalsContact OG-O 3.11Å; S118-N123 WeakPolarHBondContact OG-CB 3.4Å | ||
| 119 | P | 96 | Very high | 96.9 | Very high | 112 Ų | 112 | 46.5 Ų | 46.5 | 73% | 0.727 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -69.8 | -20.5 | 169.9 | 30.1 | -35 | 0 | 0 | 0 | 112.1 | ||
| 120 | F | 95.1 | Very high | 96.9 | Very high | 144 Ų | 144 | 46.1 Ų | 46.1 | 63% | 0.632 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -84.8 | 117.1 | 177 | -56.8 | -71.6 | 0 | 0 | 0 | 110.9 | S118 Y122 N123 R124 | S118-F120 PolarHBondContact O-N 3.27Å; S118-F120 PolarHBondContact OG-N 3.49Å; S118-F120 PolarHBondContact OG-O 3.46Å; S118-F120 VanDerWaalsContact OG-O 3.11Å; F120-Y122 VanDerWaalsContact C-N 3.33Å; F120-Y122 PolarHBondContact O-N 3.27Å; F120-N123 HydrophobicContact CB-CB 4.44Å; F120-N123 PolarHBondContact O-N 2.9Å; F120-N123 VanDerWaalsContact O-N 3.16Å; F120-R124 WeakPolarHBondContact O-CB 3.42Å; F120-R124 PolarHBondContact O-N 3.05Å |
| 121 | F | 94.8 | Very high | 97 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 14% | 0.136 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -49.2 | -45.6 | -175.7 | 176.3 | -103 | 0 | 0 | 0 | 114.6 | K80 F83 I84 R124 V125 | K80-F121 HydrophobicContact CB-CE1 4.14Å; K80-F121 HydrophobicContact CB-CE2 4.06Å; K80-F121 HydrophobicContact CB-CZ 3.57Å; K80-F121 HydrophobicContact CD-CD2 4.37Å; K80-F121 HydrophobicContact CD-CE2 4.13Å; K80-F121 HydrophobicContact CD-CZ 4.34Å; K80-F121 HydrophobicContact CG-CD1 4.43Å; K80-F121 HydrophobicContact CG-CE1 3.96Å; K80-F121 HydrophobicContact CG-CE2 4.05Å; K80-F121 HydrophobicContact CG-CZ 3.74Å; F83-F121 HydrophobicContact CB-CE1 4.01Å; F83-F121 HydrophobicContact CB-CZ 4.45Å; F83-F121 HydrophobicContact CD1-CD1 4.32Å; F83-F121 AromaticContact CD1-CE1 3.51Å; F83-F121 HydrophobicContact CD1-CE1 3.51Å; F83-F121 HydrophobicContact CD1-CZ 4.05Å; F83-F121 HydrophobicContact CE1-CE1 4.34Å; F83-F121 AromaticContact CG-CE1 3.96Å; F83-F121 HydrophobicContact CG-CE1 3.96Å; I84-F121 HydrophobicContact CD1-CE2 4.08Å; I84-F121 HydrophobicContact CD1-CZ 4.08Å; I84-F121 HydrophobicContact CG1-CE2 4.23Å; I84-F121 HydrophobicContact CG1-CZ 3.9Å; F121-R124 PolarHBondContact O-N 3.5Å; F121-V125 HydrophobicContact CD2-CG2 4.07Å; F121-V125 HydrophobicContact CE1-CG2 4.28Å; F121-V125 HydrophobicContact CE2-CG2 3.66Å; F121-V125 HydrophobicContact CZ-CG2 3.78Å; F121-V125 WeakPolarHBondContact O-CG2 3.34Å; F121-V125 PolarHBondContact O-N 2.96Å |
| 122 | Y | 93.8 | Very high | 97.1 | Very high | 82 Ų | 82 | 51.2 Ų | 51.2 | 32% | 0.322 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.1 | -51.6 | -179.7 | 176.2 | -91.1 | 0 | 0 | 0 | 111.9 | F83 A111 F120 R124 K126 | F83-Y122 HydrophobicContact CE1-CD2 4.14Å; F83-Y122 AromaticContact CE2-CD2 3.65Å; F83-Y122 HydrophobicContact CE2-CD2 3.65Å; F83-Y122 AromaticContact CE2-CE2 3.81Å; F83-Y122 HydrophobicContact CE2-CE2 3.81Å; F83-Y122 AromaticContact CZ-CD2 3.24Å; F83-Y122 HydrophobicContact CZ-CD2 3.24Å; F83-Y122 AromaticContact CZ-CE2 3.53Å; F83-Y122 HydrophobicContact CZ-CE2 3.53Å; F83-Y122 HydrophobicContact CZ-CG 4.22Å; A111-Y122 HydrophobicContact CB-CE1 3.6Å; F120-Y122 VanDerWaalsContact C-N 3.33Å; F120-Y122 PolarHBondContact O-N 3.27Å; Y122-R124 VanDerWaalsContact C-N 3.27Å; Y122-R124 PolarHBondContact O-N 2.98Å; Y122-K126 HydrophobicContact CE1-CG 4.4Å; Y122-K126 PolarHBondContact O-N 2.83Å; Y122-K126 VanDerWaalsContact O-N 3.14Å |
| 123 | N | 95.7 | Very high | 97.3 | Very high | 37 Ų | 37 | 47.8 Ų | 47.8 | 20% | 0.198 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -33.6 | 178.3 | -73.9 | -3.3 | 0 | 0 | 0 | 111.9 | G113 A114 N115 S118 F120 G127 | G113-N123 WeakPolarHBondContact O-CB 3.35Å; G113-N123 PolarHBondContact O-ND2 3.34Å; A114-N123 WeakPolarHBondContact CA-O 3.41Å; N115-N123 PolarHBondContact N-O 3.32Å; S118-N123 WeakPolarHBondContact OG-CB 3.4Å; F120-N123 HydrophobicContact CB-CB 4.44Å; F120-N123 PolarHBondContact O-N 2.9Å; F120-N123 VanDerWaalsContact O-N 3.16Å; N123-G127 PolarHBondContact O-N 3.33Å |
| 124 | R | 97.9 | Very high | 97.5 | Very high | 93 Ų | 93 | 49 Ų | 49 | 35% | 0.351 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.9 | -56.6 | 176.8 | -176.9 | 166.8 | 71.2 | -153.5 | 5.1 | 111.7 | N115 A116 F120 F121 Y122 K126 G127 E128 | N115-R124 VanDerWaalsContact O-CA 3.31Å; N115-R124 WeakPolarHBondContact O-CA 3.38Å; A116-R124 WeakPolarHBondContact O-CG 3.47Å; F120-R124 WeakPolarHBondContact O-CB 3.42Å; F120-R124 PolarHBondContact O-N 3.05Å; F121-R124 PolarHBondContact O-N 3.5Å; Y122-R124 VanDerWaalsContact C-N 3.27Å; Y122-R124 PolarHBondContact O-N 2.98Å; R124-K126 VanDerWaalsContact C-N 3.29Å; R124-K126 PolarHBondContact O-N 3.39Å; R124-G127 CarbonylContact O-C 3.57Å; R124-G127 WeakPolarHBondContact O-CA 3.37Å; R124-G127 PolarHBondContact O-N 3.42Å; R124-E128 WeakPolarHBondContact CD-OE1 3.3Å; R124-E128 HydrophobicContact CG-CG 4.22Å; R124-E128 VanDerWaalsContact CG-OE1 3.23Å; R124-E128 WeakPolarHBondContact CG-OE1 3.43Å; R124-E128 IonicContact NE-OE1 3.75Å; R124-E128 WeakPolarHBondContact O-CG 3.43Å; R124-E128 PolarHBondContact O-N 3.24Å |
| 125 | V | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -39.3 | -179.2 | 171.9 | 0 | 0 | 0 | 0 | 111.4 | F83 I84 D87 F121 E128 M129 | F83-V125 HydrophobicContact CD1-CB 4.18Å; F83-V125 HydrophobicContact CD1-CG1 3.95Å; F83-V125 HydrophobicContact CD1-CG2 4.26Å; F83-V125 HydrophobicContact CE1-CB 3.8Å; F83-V125 HydrophobicContact CE1-CG1 3.72Å; F83-V125 HydrophobicContact CE1-CG2 4.31Å; I84-V125 HydrophobicContact CG1-CG1 4.42Å; I84-V125 HydrophobicContact CG1-CG2 3.93Å; D87-V125 HydrophobicContact CB-CG1 4.44Å; F121-V125 HydrophobicContact CD2-CG2 4.07Å; F121-V125 HydrophobicContact CE1-CG2 4.28Å; F121-V125 HydrophobicContact CE2-CG2 3.66Å; F121-V125 HydrophobicContact CZ-CG2 3.78Å; F121-V125 WeakPolarHBondContact O-CG2 3.34Å; F121-V125 PolarHBondContact O-N 2.96Å; V125-E128 PolarHBondContact O-N 3.45Å; V125-M129 WeakPolarHBondContact O-CB 3.3Å; V125-M129 PolarHBondContact O-N 3.34Å |
| 126 | K | 97.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.017 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 173 | -76 | -63.3 | -171.4 | -169.1 | 0 | 112.3 | D87 A111 A114 Y122 R124 M129 E130 | D87-K126 WeakPolarHBondContact OD1-CE 3.25Å; D87-K126 IonicContact OD1-NZ 3.53Å; D87-K126 PolarHBondContact OD1-NZ 3.5Å; A111-K126 HydrophobicContact CB-CG 4.25Å; A114-K126 HydrophobicContact CB-CB 3.77Å; Y122-K126 HydrophobicContact CE1-CG 4.4Å; Y122-K126 PolarHBondContact O-N 2.83Å; Y122-K126 VanDerWaalsContact O-N 3.14Å; R124-K126 VanDerWaalsContact C-N 3.29Å; R124-K126 PolarHBondContact O-N 3.39Å; K126-M129 HydrophobicContact CD-CE 3.91Å; K126-M129 PolarHBondContact O-N 3.32Å; K126-E130 WeakPolarHBondContact O-CG 3.38Å; K126-E130 PolarHBondContact O-N 3Å |
| 127 | G | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.8 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | N123 R124 M129 E130 E131 | N123-G127 PolarHBondContact O-N 3.33Å; R124-G127 CarbonylContact O-C 3.57Å; R124-G127 WeakPolarHBondContact O-CA 3.37Å; R124-G127 PolarHBondContact O-N 3.42Å; G127-M129 VanDerWaalsContact C-N 3.3Å; G127-M129 PolarHBondContact O-N 3.07Å; G127-E130 WeakPolarHBondContact O-CB 3.49Å; G127-E130 PolarHBondContact O-N 2.67Å; G127-E131 PolarHBondContact O-N 2.7Å |
| 128 | E | 98.8 | Very high | 97.5 | Very high | 70 Ų | 70 | 48.5 Ų | 48.5 | 33% | 0.327 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 174.5 | -70.3 | 167.7 | 176.6 | 0 | 0 | 110.7 | Y88 A116 R124 V125 E131 A132 | Y88-E128 HydrophobicContact CD2-CB 4.06Å; Y88-E128 VanDerWaalsContact CE2-C 3.47Å; Y88-E128 HydrophobicContact CE2-CB 3.86Å; Y88-E128 WeakPolarHBondContact CE2-O 3.47Å; A116-E128 HydrophobicContact CB-CG 3.86Å; R124-E128 WeakPolarHBondContact CD-OE1 3.3Å; R124-E128 HydrophobicContact CG-CG 4.22Å; R124-E128 VanDerWaalsContact CG-OE1 3.23Å; R124-E128 WeakPolarHBondContact CG-OE1 3.43Å; R124-E128 IonicContact NE-OE1 3.75Å; R124-E128 WeakPolarHBondContact O-CG 3.43Å; R124-E128 PolarHBondContact O-N 3.24Å; V125-E128 PolarHBondContact O-N 3.45Å; E128-E131 PolarHBondContact O-N 3.45Å; E128-A132 WeakPolarHBondContact O-CB 3.29Å; E128-A132 PolarHBondContact O-N 2.85Å |
| 129 | M | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 175.5 | 173.7 | -81.5 | -63.8 | 0 | 0 | 111.3 | Y88 V91 V108 V125 K126 G127 A132 L133 | Y88-M129 VanDerWaalsContact CD2-CA 3.47Å; Y88-M129 HydrophobicContact CD2-CB 3.72Å; Y88-M129 HydrophobicContact CE2-CB 4.42Å; Y88-M129 HydrophobicContact CG-CB 4.33Å; V91-M129 HydrophobicContact CB-CG 3.99Å; V91-M129 HydrophobicContact CG1-CG 3.72Å; V91-M129 HydrophobicContact CG1-SD 3.67Å; V108-M129 HydrophobicContact CG2-CE 4.16Å; V108-M129 HydrophobicContact CG2-SD 4.07Å; V125-M129 WeakPolarHBondContact O-CB 3.3Å; V125-M129 PolarHBondContact O-N 3.34Å; K126-M129 HydrophobicContact CD-CE 3.91Å; K126-M129 PolarHBondContact O-N 3.32Å; G127-M129 VanDerWaalsContact C-N 3.3Å; G127-M129 PolarHBondContact O-N 3.07Å; M129-A132 PolarHBondContact O-N 2.78Å; M129-L133 WeakPolarHBondContact O-CG 3.5Å; M129-L133 PolarHBondContact O-N 3.35Å; M129-L133 HydrophobicContact SD-CD1 3.45Å; M129-L133 WeakPolarHBondContact SD-CD1 3.43Å; M129-L133 HydrophobicContact SD-CG 4.07Å |
| 130 | E | 98.8 | Very high | 97.6 | Very high | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.014 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 176.6 | -72.4 | -177.5 | -155.5 | 0 | 0 | 112.2 | S110 A114 K126 G127 A132 L133 I134 I143 R145 | S110-E130 WeakPolarHBondContact CB-OE1 3.37Å; S110-E130 PolarHBondContact OG-OE1 3.18Å; A114-E130 WeakPolarHBondContact CB-OE1 3.43Å; K126-E130 WeakPolarHBondContact O-CG 3.38Å; K126-E130 PolarHBondContact O-N 3Å; G127-E130 WeakPolarHBondContact O-CB 3.49Å; G127-E130 PolarHBondContact O-N 2.67Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 2.86Å; E130-L133 PolarHBondContact O-N 2.84Å; E130-I134 VanDerWaalsContact O-CG1 3.25Å; E130-I134 WeakPolarHBondContact O-CG1 3.35Å; E130-I134 PolarHBondContact O-N 3.01Å; E130-I143 HydrophobicContact CB-CD1 4.13Å; E130-I143 VanDerWaalsContact CD-CG2 3.46Å; E130-I143 HydrophobicContact CG-CD1 4.03Å; E130-I143 HydrophobicContact CG-CG2 3.81Å; E130-R145 IonicContact OE1-CZ 3.77Å; E130-R145 IonicContact OE1-NE 2.95Å; E130-R145 PolarHBondContact OE1-NE 3.34Å; E130-R145 IonicContact OE1-NH2 3.78Å; E130-R145 IonicContact OE2-CZ 3.18Å; E130-R145 IonicContact OE2-NE 3.04Å; E130-R145 PolarHBondContact OE2-NE 2.93Å; E130-R145 IonicContact OE2-NH2 2.6Å; E130-R145 PolarHBondContact OE2-NH2 3.23Å |
| 131 | E | 98.8 | Very high | 97.7 | Very high | 97 Ų | 97 | 41.1 Ų | 41.1 | 45% | 0.453 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60 | -42.6 | 175.5 | -75 | 180 | -178.3 | 0 | 0 | 111.7 | A116 G127 E128 L133 I134 A135 | A116-E131 HydrophobicContact CB-CG 4.36Å; A116-E131 WeakPolarHBondContact CB-OE1 3.39Å; A116-E131 WeakPolarHBondContact CB-OE2 3.32Å; G127-E131 PolarHBondContact O-N 2.7Å; E128-E131 PolarHBondContact O-N 3.45Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 2.87Å; E131-I134 PolarHBondContact O-N 2.8Å; E131-A135 WeakPolarHBondContact O-CB 3.27Å; E131-A135 PolarHBondContact O-N 2.73Å |
| 132 | A | 98.8 | Very high | 97.9 | Very high | 19 Ų | 19 | 39.7 Ų | 39.7 | 16% | 0.157 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.3 | -40.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y88 V92 E128 M129 E130 Q136 | Y88-A132 HydrophobicContact CE2-CB 4.08Å; Y88-A132 WeakPolarHBondContact OH-CB 3.24Å; V92-A132 HydrophobicContact CG2-CB 4.01Å; E128-A132 WeakPolarHBondContact O-CB 3.29Å; E128-A132 PolarHBondContact O-N 2.85Å; M129-A132 PolarHBondContact O-N 2.78Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 2.86Å; A132-Q136 WeakPolarHBondContact O-CG 3.32Å; A132-Q136 PolarHBondContact O-N 3.11Å |
| 133 | L | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -70.8 | -38.8 | 175.9 | -66.1 | -178.6 | 0 | 0 | 0 | 112.4 | V91 A95 M106 V108 M129 E130 E131 A135 Q136 L141 | V91-L133 HydrophobicContact CG1-CD1 4.16Å; A95-L133 HydrophobicContact CB-CD2 3.38Å; M106-L133 HydrophobicContact CE-CD1 4.44Å; V108-L133 HydrophobicContact CB-CD1 4.07Å; V108-L133 HydrophobicContact CG1-CD1 3.72Å; V108-L133 HydrophobicContact CG2-CD1 4.17Å; M129-L133 WeakPolarHBondContact O-CG 3.5Å; M129-L133 PolarHBondContact O-N 3.35Å; M129-L133 HydrophobicContact SD-CD1 3.45Å; M129-L133 WeakPolarHBondContact SD-CD1 3.43Å; M129-L133 HydrophobicContact SD-CG 4.07Å; E130-L133 PolarHBondContact O-N 2.84Å; E131-L133 VanDerWaalsContact C-N 3.33Å; E131-L133 PolarHBondContact O-N 2.87Å; L133-A135 VanDerWaalsContact C-N 3.33Å; L133-Q136 WeakPolarHBondContact O-CB 3.41Å; L133-Q136 PolarHBondContact O-N 3.39Å; L133-L141 HydrophobicContact CB-CD1 4.3Å; L133-L141 HydrophobicContact CB-CD2 3.96Å; L133-L141 HydrophobicContact CD1-CD1 4.47Å |
| 134 | I | 98.6 | Very high | 98.3 | Very high | 67 Ų | 67 | 34 Ų | 34 | 34% | 0.344 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 175.7 | -70.2 | 164.1 | 0 | 0 | 0 | 110.1 | E130 E131 Q136 N137 L141 I143 V198 | E130-I134 VanDerWaalsContact O-CG1 3.25Å; E130-I134 WeakPolarHBondContact O-CG1 3.35Å; E130-I134 PolarHBondContact O-N 3.01Å; E131-I134 PolarHBondContact O-N 2.8Å; I134-Q136 PolarHBondContact O-N 3.44Å; I134-Q136 VanDerWaalsContact O-N 3.09Å; I134-N137 PolarHBondContact O-N 3.12Å; I134-N137 VanDerWaalsContact O-N 3.08Å; I134-L141 HydrophobicContact CG1-CD2 3.83Å; I134-I143 HydrophobicContact CD1-CD1 4.21Å; I134-I143 HydrophobicContact CG1-CD1 4.24Å; I134-V198 HydrophobicContact CD1-CG1 4.47Å; I134-V198 HydrophobicContact CG1-CG1 4.19Å; I134-V198 HydrophobicContact CG1-CG2 4.29Å |
| 135 | A | 98.4 | Very high | 98.3 | Very high | 72 Ų | 72 | 32.8 Ų | 32.8 | 60% | 0.595 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -15 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | E131 L133 N137 | E131-A135 WeakPolarHBondContact O-CB 3.27Å; E131-A135 PolarHBondContact O-N 2.73Å; L133-A135 VanDerWaalsContact C-N 3.33Å; A135-N137 VanDerWaalsContact C-N 3.27Å; A135-N137 PolarHBondContact O-N 2.92Å; A135-N137 PolarHBondContact O-ND2 2.93Å |
| 136 | Q | 98.2 | Very high | 98.2 | Very high | 18 Ų | 18 | 33 Ų | 33 | 8% | 0.084 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -10.3 | 175.2 | -69.5 | 171 | 8.3 | 0 | 0 | 113.5 | R99 A132 L133 I134 W138 | R99-Q136 PolarHBondContact NH1-O 2.99Å; R99-Q136 PolarHBondContact NH2-O 2.89Å; R99-Q136 VanDerWaalsContact NH2-O 3.11Å; A132-Q136 WeakPolarHBondContact O-CG 3.32Å; A132-Q136 PolarHBondContact O-N 3.11Å; L133-Q136 WeakPolarHBondContact O-CB 3.41Å; L133-Q136 PolarHBondContact O-N 3.39Å; I134-Q136 PolarHBondContact O-N 3.44Å; I134-Q136 VanDerWaalsContact O-N 3.09Å; Q136-W138 PolarHBondContact O-N 3.4Å |
| 137 | N | 96.9 | Very high | 97.9 | Very high | 137 Ų | 137 | 33.3 Ų | 33.3 | 73% | 0.733 | 18% | 0.176 | S | C | * | . | trans | 54.1 | 52.2 | 177.7 | -57.6 | -58.5 | 0 | 0 | 0 | 113.3 | I134 A135 | I134-N137 PolarHBondContact O-N 3.12Å; I134-N137 VanDerWaalsContact O-N 3.08Å; A135-N137 VanDerWaalsContact C-N 3.27Å; A135-N137 PolarHBondContact O-N 2.92Å; A135-N137 PolarHBondContact O-ND2 2.93Å | ||
| 138 | W | 98 | Very high | 97.3 | Very high | 19 Ų | 19 | 38.8 Ų | 38.8 | 7% | 0.072 | 20% | 0.202 | C | C | . | . | trans | -61.1 | 144 | 171.5 | -71.9 | 88.4 | 0 | 0 | 0 | 111.3 | V66 A95 R99 A103 M106 Q136 K140 L141 | V66-W138 HydrophobicContact CG2-CH2 4.28Å; A95-W138 HydrophobicContact CB-CZ2 3.81Å; A95-W138 WeakPolarHBondContact O-CH2 3.38Å; A95-W138 VanDerWaalsContact O-CZ2 3.26Å; A95-W138 WeakPolarHBondContact O-CZ2 3.49Å; R99-W138 HydrophobicContact CB-CH2 4.33Å; R99-W138 HydrophobicContact CG-CD2 4.23Å; R99-W138 HydrophobicContact CG-CE3 4.2Å; R99-W138 HydrophobicContact CG-CH2 3.22Å; R99-W138 HydrophobicContact CG-CZ2 3.21Å; R99-W138 HydrophobicContact CG-CZ3 3.74Å; A103-W138 HydrophobicContact CB-CH2 4.29Å; A103-W138 HydrophobicContact CB-CZ3 3.88Å; A103-W138 VanDerWaalsContact O-CZ3 3.27Å; A103-W138 WeakPolarHBondContact O-CZ3 3.04Å; M106-W138 HydrophobicContact CB-CD2 3.64Å; M106-W138 HydrophobicContact CB-CE3 3.8Å; M106-W138 HydrophobicContact CB-CG 4.23Å; M106-W138 HydrophobicContact CB-CH2 3.93Å; M106-W138 HydrophobicContact CB-CZ2 3.78Å; M106-W138 HydrophobicContact CB-CZ3 3.94Å; M106-W138 HydrophobicContact CG-CZ2 4.19Å; Q136-W138 PolarHBondContact O-N 3.4Å; W138-K140 PolarHBondContact O-N 2.99Å; W138-L141 HydrophobicContact CB-CB 4.07Å | ||
| 139 | Q | 96.5 | Very high | 96.6 | Very high | 94 Ų | 94 | 37.8 Ų | 37.8 | 44% | 0.439 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -58.7 | -41.2 | 170.5 | -175.1 | -179.9 | 18.9 | 0 | 0 | 110.3 | Q104 E196 G197 | Q104-Q139 HydrophobicContact CB-CB 4.23Å; Q139-E196 HydrophobicContact CG-CG 4.38Å; Q139-E196 PolarHBondContact NE2-OE1 3.39Å; Q139-E196 CarbonylContact O-C 3.59Å; Q139-E196 WeakPolarHBondContact O-CA 3.2Å; Q139-G197 PolarHBondContact O-N 3.04Å |
| 140 | K | 97.7 | Very high | 95.6 | Very high | 15 Ų | 15 | 41.9 Ų | 41.9 | 7% | 0.065 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 127.9 | 170.2 | -166.6 | 178.6 | -179.5 | -178.8 | 0 | 110.5 | Q104 H105 M106 W138 E189 R192 H195 | Q104-K140 PolarHBondContact O-N 3.48Å; H105-K140 VanDerWaalsContact CA-O 3.32Å; H105-K140 WeakPolarHBondContact CA-O 3.5Å; H105-K140 HydrophobicContact CB-CB 4.07Å; H105-K140 HydrophobicContact CB-CD 4.47Å; H105-K140 VanDerWaalsContact CD2-CG 3.4Å; H105-K140 WeakPolarHBondContact CD2-CG 3.39Å; H105-K140 PolarHBondContact CD2-O 3.06Å; H105-K140 WeakPolarHBondContact CE1-CD 3.49Å; H105-K140 WeakPolarHBondContact CE1-CE 3.47Å; H105-K140 WeakPolarHBondContact NE2-CD 3.1Å; H105-K140 WeakPolarHBondContact NE2-CG 3.34Å; M106-K140 PolarHBondContact N-O 3.44Å; W138-K140 PolarHBondContact O-N 2.99Å; K140-E189 WeakPolarHBondContact CE-OE1 3.4Å; K140-E189 PolarHBondContact NZ-O 3.17Å; K140-E189 IonicContact NZ-OE1 2.77Å; K140-E189 PolarHBondContact NZ-OE1 3.29Å; K140-E189 VanDerWaalsContact NZ-OE1 3.12Å; K140-R192 PolarHBondContact NZ-O 2.94Å; K140-H195 WeakPolarHBondContact CD-O 3.27Å; K140-H195 VanDerWaalsContact CE-O 3.3Å; K140-H195 WeakPolarHBondContact CE-O 3.48Å; K140-H195 WeakPolarHBondContact CG-O 3.37Å |
| 141 | L | 98.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 120.1 | 172.8 | 176.1 | 61 | 0 | 0 | 0 | 109.4 | M106 L133 I134 W138 I143 G197 V198 T199 | M106-L141 HydrophobicContact CB-CD1 3.94Å; M106-L141 HydrophobicContact CG-CD1 3.81Å; M106-L141 CarbonylContact O-C 3.18Å; M106-L141 WeakPolarHBondContact O-CA 3.42Å; L133-L141 HydrophobicContact CB-CD1 4.3Å; L133-L141 HydrophobicContact CB-CD2 3.96Å; L133-L141 HydrophobicContact CD1-CD1 4.47Å; I134-L141 HydrophobicContact CG1-CD2 3.83Å; W138-L141 HydrophobicContact CB-CB 4.07Å; L141-I143 HydrophobicContact CD1-CG1 4.34Å; L141-I143 HydrophobicContact CD2-CD1 4.11Å; L141-I143 HydrophobicContact CD2-CG1 4.35Å; L141-I143 HydrophobicContact CG-CD1 4.34Å; L141-I143 HydrophobicContact CG-CG1 4.06Å; L141-G197 PolarHBondContact N-O 2.85Å; L141-V198 HydrophobicContact CB-CG2 4.37Å; L141-V198 HydrophobicContact CD2-CG1 4.38Å; L141-V198 HydrophobicContact CD2-CG2 4.31Å; L141-V198 CarbonylContact O-C 3.2Å; L141-V198 WeakPolarHBondContact O-CA 3.4Å; L141-T199 PolarHBondContact O-N 2.78Å |
| 142 | T | 98.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.6 | 174.4 | -55.1 | 0 | 0 | 0 | 0 | 110.4 | H105 M106 L107 V108 E189 T199 L201 | H105-T142 PolarHBondContact NE2-OG1 2.98Å; M106-T142 PolarHBondContact O-N 3.17Å; L107-T142 CarbonylContact C-O 3.55Å; L107-T142 VanDerWaalsContact CA-O 3.3Å; L107-T142 WeakPolarHBondContact CA-O 3.48Å; L107-T142 HydrophobicContact CD2-CG2 4.2Å; V108-T142 PolarHBondContact N-O 3.01Å; T142-E189 HydrophobicContact CG2-CG 3.74Å; T142-T199 CarbonylContact C-O 3.57Å; T142-T199 WeakPolarHBondContact CA-O 3.33Å; T142-L201 HydrophobicContact CG2-CD1 3.83Å; T142-L201 HydrophobicContact CG2-CG 4.18Å |
| 143 | I | 98.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 108.2 | 178.5 | -58.9 | 171.6 | 0 | 0 | 0 | 108.2 | V108 E130 I134 L141 R145 V198 T199 I200 L201 | V108-I143 HydrophobicContact CG1-CB 4.3Å; V108-I143 HydrophobicContact CG1-CG1 3.92Å; V108-I143 HydrophobicContact CG1-CG2 4.32Å; E130-I143 HydrophobicContact CB-CD1 4.13Å; E130-I143 VanDerWaalsContact CD-CG2 3.46Å; E130-I143 HydrophobicContact CG-CD1 4.03Å; E130-I143 HydrophobicContact CG-CG2 3.81Å; I134-I143 HydrophobicContact CD1-CD1 4.21Å; I134-I143 HydrophobicContact CG1-CD1 4.24Å; L141-I143 HydrophobicContact CD1-CG1 4.34Å; L141-I143 HydrophobicContact CD2-CD1 4.11Å; L141-I143 HydrophobicContact CD2-CG1 4.35Å; L141-I143 HydrophobicContact CG-CD1 4.34Å; L141-I143 HydrophobicContact CG-CG1 4.06Å; I143-R145 HydrophobicContact CG2-CG 4.07Å; I143-V198 HydrophobicContact CD1-CG1 4.28Å; I143-T199 PolarHBondContact N-O 2.99Å; I143-I200 HydrophobicContact CB-CG1 4.29Å; I143-I200 HydrophobicContact CD1-CG1 4.3Å; I143-I200 CarbonylContact O-C 3.53Å; I143-I200 WeakPolarHBondContact O-CA 3.25Å; I143-L201 PolarHBondContact O-N 2.86Å |
| 144 | A | 98.5 | Very high | 87.6 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 120.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | V108 S110 P146 V182 M186 L206 | V108-A144 PolarHBondContact O-N 3.39Å; S110-A144 CarbonylContact C-O 3.58Å; S110-A144 WeakPolarHBondContact CA-O 3.37Å; S110-A144 PolarHBondContact N-O 2.84Å; A144-P146 WeakPolarHBondContact O-CD 3.44Å; A144-V182 HydrophobicContact CB-CG1 4.42Å; A144-M186 HydrophobicContact CB-CG 4.38Å; A144-L206 HydrophobicContact CB-CD1 4.18Å; A144-L206 HydrophobicContact CB-CD2 4.15Å |
| 145 | R | 97.8 | Very high | 84.7 | Confident | 66 Ų | 66 | 60.4 Ų | 60.4 | 25% | 0.249 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 71.3 | 178.1 | -69 | -176.2 | 176 | 170.6 | -6.1 | 111.2 | A111 E130 I143 I200 L201 S203 | A111-R145 WeakPolarHBondContact O-CG 3.27Å; E130-R145 IonicContact OE1-CZ 3.77Å; E130-R145 IonicContact OE1-NE 2.95Å; E130-R145 PolarHBondContact OE1-NE 3.34Å; E130-R145 IonicContact OE1-NH2 3.78Å; E130-R145 IonicContact OE2-CZ 3.18Å; E130-R145 IonicContact OE2-NE 3.04Å; E130-R145 PolarHBondContact OE2-NE 2.93Å; E130-R145 IonicContact OE2-NH2 2.6Å; E130-R145 PolarHBondContact OE2-NH2 3.23Å; I143-R145 HydrophobicContact CG2-CG 4.07Å; R145-I200 HydrophobicContact CG-CG2 4.1Å; R145-L201 PolarHBondContact N-O 2.75Å; R145-S203 PolarHBondContact O-N 2.85Å; R145-S203 VanDerWaalsContact O-N 3.09Å |
| 146 | P | 96.2 | Very high | 81.6 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 3% | 0.032 | 34% | 0.335 | C | S | . | . | trans | -66.7 | 156.7 | 178 | 30.8 | -36.3 | 0 | 0 | 0 | 111.7 | V109 M112 A144 L149 I177 V182 L206 | V109-P146 HydrophobicContact CG1-CG 4.06Å; M112-P146 WeakPolarHBondContact CB-O 3.37Å; M112-P146 PolarHBondContact N-O 2.77Å; A144-P146 WeakPolarHBondContact O-CD 3.44Å; P146-L149 HydrophobicContact CB-CD2 3.95Å; P146-L149 HydrophobicContact CG-CD2 4.14Å; P146-I177 HydrophobicContact CB-CG2 3.71Å; P146-V182 HydrophobicContact CB-CG2 3.92Å; P146-L206 HydrophobicContact CB-CD1 4Å | ||
| 147 | S | 91.9 | Very high | 78.7 | Confident | 12 Ų | 12 | 73.5 Ų | 73.5 | 8% | 0.084 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -74.6 | -153.5 | 162.9 | 68.6 | 0 | 0 | 0 | 0 | 110.3 | L149 K175 S203 | S147-L149 PolarHBondContact O-N 3.06Å; S147-K175 PolarHBondContact OG-O 2.96Å; S147-S203 WeakPolarHBondContact CB-OG 3.42Å; S147-S203 PolarHBondContact N-OG 3.48Å; S147-S203 VanDerWaalsContact N-OG 3.12Å; S147-S203 PolarHBondContact OG-OG 2.7Å |
| 148 | M | 86 | Confident | 75.8 | Confident | 117 Ų | 117 | 73.9 Ų | 73.9 | 58% | 0.576 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -60.7 | 123.7 | 174.9 | -174.6 | 176.8 | -72.2 | 0 | 0 | 110.8 | S176 I177 | M148-S176 CarbonylContact O-C 3.46Å; M148-S176 WeakPolarHBondContact O-CA 3.47Å; M148-S176 WeakPolarHBondContact O-CB 3.46Å; M148-I177 PolarHBondContact O-N 2.84Å |
| 149 | L | 85.2 | Confident | 72.9 | Confident | 50 Ų | 50 | 80 Ų | 80 | 26% | 0.262 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 131 | 177 | -65.4 | 170.1 | 0 | 0 | 0 | 111.2 | L12 V13 P146 S147 I177 A179 V182 | L12-L149 HydrophobicContact CD1-CB 4.34Å; V13-L149 HydrophobicContact CG2-CD1 3.84Å; V13-L149 HydrophobicContact CG2-CD2 3.99Å; P146-L149 HydrophobicContact CB-CD2 3.95Å; P146-L149 HydrophobicContact CG-CD2 4.14Å; S147-L149 PolarHBondContact O-N 3.06Å; L149-I177 CarbonylContact C-O 3.58Å; L149-I177 WeakPolarHBondContact CA-O 3.47Å; L149-I177 HydrophobicContact CD2-CG2 4.03Å; L149-A179 HydrophobicContact CD2-CB 4.42Å; L149-V182 HydrophobicContact CD2-CG2 3.77Å |
| 150 | L | 78 | Confident | 70.2 | Confident | 85 Ų | 85 | 80.7 Ų | 80.7 | 45% | 0.445 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 150 | 165 | -62 | 179 | 0 | 0 | 0 | 110.6 | S176 I177 A179 | L150-S176 WeakPolarHBondContact CD1-OG 3.46Å; L150-S176 VanDerWaalsContact CG-OG 3.29Å; L150-S176 WeakPolarHBondContact CG-OG 3.44Å; L150-I177 PolarHBondContact N-O 3.18Å; L150-A179 WeakPolarHBondContact O-CB 3.34Å; L150-A179 PolarHBondContact O-N 3.04Å |
| 151 | G | 70.2 | Confident | 67.8 | Low | 38 Ų | 38 | 86.6 Ų | 86.6 | 39% | 0.392 | 44% | 0.44 | S | S | . | . | S | Bend | trans | 153 | 151.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | R153 | G151-R153 PolarHBondContact O-N 2.93Š|
| 152 | D | 57.9 | Low | 65.3 | Low | 168 Ų | 168 | 93.5 Ų | 93.5 | 90% | 0.898 | 48% | 0.476 | S | S | * | . | trans | -68.1 | 97.3 | 174.7 | -79.8 | -29.7 | 0 | 0 | 0 | 109.4 | S154 | D152-S154 PolarHBondContact O-N 3.38Š| ||
| 153 | R | 53.3 | Low | 62.6 | Low | 83 Ų | 83 | 98.3 Ų | 98.3 | 31% | 0.313 | 50% | 0.497 | S | S | . | . | trans | -65.1 | 125.7 | 156.9 | -67.5 | -173 | 178.9 | -158.8 | -4 | 104.9 | L12 E76 G151 K155 | L12-R153 HydrophobicContact CD1-CG 3.82Å; L12-R153 HydrophobicContact CD2-CG 3.63Å; L12-R153 HydrophobicContact CG-CG 3.78Å; E76-R153 IonicContact OE1-CZ 2.71Å; E76-R153 IonicContact OE1-NH1 3.92Å; E76-R153 PolarHBondContact OE1-NH1 2.93Å; E76-R153 IonicContact OE2-CZ 3.12Å; E76-R153 IonicContact OE2-NH1 3.83Å; E76-R153 PolarHBondContact OE2-NH1 2.84Å; G151-R153 PolarHBondContact O-N 2.93Å; R153-K155 CarbonylContact O-C 3.53Å; R153-K155 PolarHBondContact O-N 2.78Å; R153-K155 VanDerWaalsContact O-O 3.13Å | ||
| 154 | S | 44.3 | Very low | 60.2 | Low | 126 Ų | 126 | 101.4 Ų | 101.4 | 88% | 0.881 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -53 | -6.7 | 176.2 | 56.6 | 0 | 0 | 0 | 0 | 114.5 | D152 Q156 | D152-S154 PolarHBondContact O-N 3.38Å; S154-Q156 PolarHBondContact O-N 2.91Å |
| 155 | K | 37.9 | Very low | 57.6 | Low | 160 Ų | 160 | 105.9 Ų | 105.9 | 70% | 0.696 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -82.5 | 92.6 | 160.2 | -62.3 | -172.7 | -179.2 | -177.2 | 0 | 109.2 | R153 R157 | R153-K155 CarbonylContact O-C 3.53Å; R153-K155 PolarHBondContact O-N 2.78Å; R153-K155 VanDerWaalsContact O-O 3.13Å; K155-R157 PolarHBondContact O-N 2.73Å |
| 156 | Q | 33.7 | Very low | 55.2 | Low | 172 Ų | 172 | 108 Ų | 108 | 80% | 0.804 | 57% | 0.567 | S | S | * | * | trans | -34.9 | 103.1 | 161.8 | -73.8 | 178 | -58.7 | 0 | 0 | 109.8 | S154 M158 | S154-Q156 PolarHBondContact O-N 2.91Å; Q156-M158 PolarHBondContact O-N 3.34Å | ||
| 157 | R | 37.4 | Very low | 53 | Low | 193 Ų | 193 | 113.3 Ų | 113.3 | 73% | 0.728 | 59% | 0.591 | S | S | * | * | trans | -74.6 | 58.4 | 160 | -73.8 | -172.5 | 179 | -178.4 | 1.7 | 108.1 | K155 N159 | K155-R157 PolarHBondContact O-N 2.73Å; R157-N159 PolarHBondContact O-N 2.91Å | ||
| 158 | M | 36.2 | Very low | 50.9 | Low | 146 Ų | 146 | 124 Ų | 124 | 72% | 0.719 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 92 | 156 | -170.6 | 167.2 | 74.2 | 0 | 0 | 104 | Q156 | Q156-M158 PolarHBondContact O-N 3.34Š|
| 159 | N | 37.2 | Very low | 48.9 | Very low | 148 Ų | 148 | 125.1 Ų | 125.1 | 79% | 0.791 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 174.9 | 0.4 | 156.2 | -83.8 | -6.2 | 0 | 0 | 0 | 115.5 | R157 | R157-N159 PolarHBondContact O-N 2.91Š|
| 160 | E | 39.6 | Very low | 46.9 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 51% | 0.505 | 64% | 0.642 | S | S | . | * | trans | -127.7 | 53 | -178.7 | -73.4 | -179.4 | -175 | 0 | 0 | 114.1 | L162 | E160-L162 PolarHBondContact O-N 2.96Š| ||
| 161 | T | 46.1 | Very low | 45.2 | Very low | 138 Ų | 138 | 126.1 Ų | 126.1 | 85% | 0.847 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | 0.7 | 163.2 | 0.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 162 | L | 47 | Very low | 44.2 | Very low | 146 Ų | 146 | 126 Ų | 126 | 76% | 0.764 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -17.4 | -174.5 | -150.5 | 74 | 0 | 0 | 0 | 114.6 | E160 | E160-L162 PolarHBondContact O-N 2.96Š|
| 163 | F | 40.6 | Very low | 43.7 | Very low | 102 Ų | 102 | 124.2 Ų | 124.2 | 45% | 0.447 | 64% | 0.636 | S | S | . | * | S | Bend | trans | -108.2 | 1.9 | -173.2 | -68.8 | -73.9 | 0 | 0 | 0 | 115.7 | P165 L166 F167 | F163-P165 VanDerWaalsContact C-N 3.32Å; F163-P165 VanDerWaalsContact O-N 3.15Å; F163-L166 PolarHBondContact O-N 3.41Å; F163-F167 HydrophobicContact CB-CD2 4.36Å; F163-F167 HydrophobicContact CB-CE2 3.8Å; F163-F167 WeakPolarHBondContact O-CD2 3.39Å |
| 164 | A | 49.6 | Very low | 43.7 | Very low | 65 Ų | 65 | 127.2 Ų | 127.2 | 54% | 0.537 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -50.3 | -37.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 165 | P | 42.9 | Very low | 44.8 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 62% | 0.617 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -72.2 | -29.4 | 178.7 | 2.4 | 6.7 | 0 | 0 | 0 | 113.5 | F163 F167 | F163-P165 VanDerWaalsContact C-N 3.32Å; F163-P165 VanDerWaalsContact O-N 3.15Å; P165-F167 VanDerWaalsContact C-N 3.34Å; P165-F167 PolarHBondContact O-N 2.9Å |
| 166 | L | 48.1 | Very low | 46.9 | Very low | 110 Ų | 110 | 122.2 Ų | 122.2 | 58% | 0.576 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74.4 | -26.8 | -176.5 | -165.7 | 62 | 0 | 0 | 0 | 112.2 | F163 R168 L169 | F163-L166 PolarHBondContact O-N 3.41Å; L166-R168 VanDerWaalsContact C-N 3.3Å; L166-R168 PolarHBondContact O-N 3.12Å; L166-L169 PolarHBondContact O-N 3.26Å |
| 167 | F | 49.1 | Very low | 49.5 | Very low | 118 Ų | 118 | 114.2 Ų | 114.2 | 52% | 0.518 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.4 | -25.3 | 178.5 | -75 | -74.8 | 0 | 0 | 0 | 114 | F163 P165 L169 L170 | F163-F167 HydrophobicContact CB-CD2 4.36Å; F163-F167 HydrophobicContact CB-CE2 3.8Å; F163-F167 WeakPolarHBondContact O-CD2 3.39Å; P165-F167 VanDerWaalsContact C-N 3.34Å; P165-F167 PolarHBondContact O-N 2.9Å; F167-L169 VanDerWaalsContact C-N 3.25Å; F167-L169 PolarHBondContact O-N 3.16Å; F167-L170 HydrophobicContact CD1-CD1 4.16Å |
| 168 | R | 49.1 | Very low | 52.1 | Low | 236 Ų | 236 | 108 Ų | 108 | 89% | 0.891 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.7 | -17.9 | 178.1 | -75.5 | -173.5 | 178.6 | 179 | 0.3 | 113.7 | L166 | L166-R168 VanDerWaalsContact C-N 3.3Å; L166-R168 PolarHBondContact O-N 3.12Å |
| 169 | L | 43 | Very low | 54.9 | Low | 140 Ų | 140 | 101.1 Ų | 101.1 | 73% | 0.733 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 0.3 | -177.1 | -83.9 | 149.7 | 0 | 0 | 0 | 113.8 | L166 F167 | L166-L169 PolarHBondContact O-N 3.26Å; F167-L169 VanDerWaalsContact C-N 3.25Å; F167-L169 PolarHBondContact O-N 3.16Å |
| 170 | L | 43.2 | Very low | 57.6 | Low | 71 Ų | 71 | 101.1 Ų | 101.1 | 37% | 0.372 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -76 | 129.9 | 178.7 | -64.5 | 179.3 | 0 | 0 | 0 | 110.5 | F167 G172 W174 | F167-L170 HydrophobicContact CD1-CD1 4.16Å; L170-G172 PolarHBondContact O-N 2.88Å; L170-W174 HydrophobicContact CB-CB 4.29Å; L170-W174 HydrophobicContact CB-CE3 4.15Å; L170-W174 HydrophobicContact CD1-CE3 4.06Å; L170-W174 HydrophobicContact CD2-CE3 3.65Å; L170-W174 HydrophobicContact CD2-CZ3 3.73Å; L170-W174 HydrophobicContact CG-CE3 4.14Å |
| 171 | P | 42.1 | Very low | 60.3 | Low | 85 Ų | 85 | 98.1 Ų | 98.1 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | trans | -54.8 | 141.1 | -177.9 | 18.7 | -29.3 | 0 | 0 | 0 | 110.8 | N173 W174 | P171-N173 PolarHBondContact O-N 3.19Å; P171-W174 PolarHBondContact O-N 3.17Å | ||
| 172 | G | 49.9 | Very low | 62.8 | Low | 36 Ų | 36 | 91.6 Ų | 91.6 | 37% | 0.371 | 46% | 0.462 | S | S | . | . | G | 310 helix | trans | -52.5 | -19.6 | -164.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | L170 W174 K175 | L170-G172 PolarHBondContact O-N 2.88Å; G172-W174 VanDerWaalsContact C-N 3.25Å; G172-W174 PolarHBondContact O-N 2.98Å; G172-K175 VanDerWaalsContact O-CB 3.32Å; G172-K175 WeakPolarHBondContact O-CB 3.41Å; G172-K175 WeakPolarHBondContact O-CG 3.33Å; G172-K175 PolarHBondContact O-N 2.78Å |
| 173 | N | 47.4 | Very low | 65.2 | Low | 131 Ų | 131 | 84.6 Ų | 84.6 | 70% | 0.701 | 43% | 0.425 | S | S | * | . | G | 310 helix | trans | -71.5 | -20.4 | 176.4 | -54.3 | -8.7 | 0 | 0 | 0 | 112.4 | P171 | P171-N173 PolarHBondContact O-N 3.19Š|
| 174 | W | 52.6 | Low | 68 | Low | 145 Ų | 145 | 84.1 Ų | 84.1 | 55% | 0.549 | 42% | 0.421 | S | S | . | . | G | 310 helix | trans | -94.4 | 5.9 | 172.6 | -76.4 | 4.6 | 0 | 0 | 0 | 113.9 | L170 P171 G172 S176 | L170-W174 HydrophobicContact CB-CB 4.29Å; L170-W174 HydrophobicContact CB-CE3 4.15Å; L170-W174 HydrophobicContact CD1-CE3 4.06Å; L170-W174 HydrophobicContact CD2-CE3 3.65Å; L170-W174 HydrophobicContact CD2-CZ3 3.73Å; L170-W174 HydrophobicContact CG-CE3 4.14Å; P171-W174 PolarHBondContact O-N 3.17Å; G172-W174 VanDerWaalsContact C-N 3.25Å; G172-W174 PolarHBondContact O-N 2.98Å; W174-S176 PolarHBondContact O-N 3.12Å; W174-S176 VanDerWaalsContact O-N 3.1Å |
| 175 | K | 67.3 | Low | 70.3 | Confident | 137 Ų | 137 | 81.1 Ų | 81.1 | 60% | 0.596 | 40% | 0.396 | S | S | * | . | trans | -48 | 127.7 | 170.3 | -79.4 | 177.7 | -178.4 | -173.8 | 0 | 107.8 | S147 G172 R207 | S147-K175 PolarHBondContact OG-O 2.96Å; G172-K175 VanDerWaalsContact O-CB 3.32Å; G172-K175 WeakPolarHBondContact O-CB 3.41Å; G172-K175 WeakPolarHBondContact O-CG 3.33Å; G172-K175 PolarHBondContact O-N 2.78Å; K175-R207 PolarHBondContact O-NH1 2.87Å | ||
| 176 | S | 83.1 | Confident | 72.9 | Confident | 45 Ų | 45 | 76.6 Ų | 76.6 | 32% | 0.315 | 37% | 0.366 | S | S | . | . | trans | -63.9 | 161.6 | 175.7 | 55.9 | 0 | 0 | 0 | 0 | 109.6 | M148 L150 W174 | M148-S176 CarbonylContact O-C 3.46Å; M148-S176 WeakPolarHBondContact O-CA 3.47Å; M148-S176 WeakPolarHBondContact O-CB 3.46Å; L150-S176 WeakPolarHBondContact CD1-OG 3.46Å; L150-S176 VanDerWaalsContact CG-OG 3.29Å; L150-S176 WeakPolarHBondContact CG-OG 3.44Å; W174-S176 PolarHBondContact O-N 3.12Å; W174-S176 VanDerWaalsContact O-N 3.1Å | ||
| 177 | I | 88.5 | Confident | 75.3 | Confident | 3 Ų | 3 | 72.3 Ų | 72.3 | 2% | 0.015 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 140 | 179.2 | -173.9 | 172.1 | 0 | 0 | 0 | 108.9 | P146 M148 L149 L150 D181 V182 L206 R207 | P146-I177 HydrophobicContact CB-CG2 3.71Å; M148-I177 PolarHBondContact O-N 2.84Å; L149-I177 CarbonylContact C-O 3.58Å; L149-I177 WeakPolarHBondContact CA-O 3.47Å; L149-I177 HydrophobicContact CD2-CG2 4.03Å; L150-I177 PolarHBondContact N-O 3.18Å; I177-D181 HydrophobicContact CG1-CB 4.25Å; I177-V182 HydrophobicContact CD1-CG2 3.86Å; I177-V182 HydrophobicContact CG1-CG2 4.16Å; I177-V182 HydrophobicContact CG2-CG2 4.03Å; I177-L206 HydrophobicContact CD1-CB 3.51Å; I177-R207 HydrophobicContact CB-CG 4.47Å; I177-R207 HydrophobicContact CD1-CG 3.85Å; I177-R207 HydrophobicContact CG1-CG 4.02Å |
| 178 | D | 91.6 | Very high | 77.6 | Confident | 64 Ų | 64 | 69 Ų | 69 | 34% | 0.342 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 134.8 | 177.1 | -162.7 | -64.1 | 0 | 0 | 0 | 110.1 | R180 D181 V182 | D178-R180 PolarHBondContact O-N 2.88Å; D178-R180 WeakPolarHBondContact OD1-CB 3.32Å; D178-R180 PolarHBondContact OD1-N 3Å; D178-D181 HydrophobicContact CB-CB 4.3Å; D178-D181 WeakPolarHBondContact O-CB 3.41Å; D178-D181 PolarHBondContact O-N 2.93Å; D178-V182 PolarHBondContact O-N 3.31Å |
| 179 | A | 94.2 | Very high | 79.8 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -29.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L12 V13 L149 L150 D181 V182 A183 | L12-A179 HydrophobicContact CB-CB 3.69Å; V13-A179 HydrophobicContact CG2-CB 3.92Å; L149-A179 HydrophobicContact CD2-CB 4.42Å; L150-A179 WeakPolarHBondContact O-CB 3.34Å; L150-A179 PolarHBondContact O-N 3.04Å; A179-D181 VanDerWaalsContact C-N 3.32Å; A179-V182 PolarHBondContact O-N 3.27Å; A179-A183 PolarHBondContact O-N 3.06Å |
| 180 | R | 95.6 | Very high | 82.4 | Confident | 148 Ų | 148 | 51.6 Ų | 51.6 | 56% | 0.558 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -65.1 | -36.1 | 173.7 | -171.4 | -177.7 | 178.6 | -177.2 | -1.1 | 111.9 | H16 M20 D178 A183 R184 | H16-R180 HydrophobicContact CB-CB 4.47Å; H16-R180 HydrophobicContact CB-CG 4.46Å; M20-R180 HydrophobicContact CE-CG 3.5Å; D178-R180 PolarHBondContact O-N 2.88Å; D178-R180 WeakPolarHBondContact OD1-CB 3.32Å; D178-R180 PolarHBondContact OD1-N 3Å; R180-A183 PolarHBondContact O-N 3.16Å; R180-R184 WeakPolarHBondContact O-CB 3.41Å; R180-R184 PolarHBondContact O-N 3.34Å |
| 181 | D | 96.3 | Very high | 84.8 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 25% | 0.246 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.6 | -42.5 | 178.4 | -73 | -22.2 | 0 | 0 | 0 | 111.4 | I177 D178 A179 A183 R184 V185 A210 | I177-D181 HydrophobicContact CG1-CB 4.25Å; D178-D181 HydrophobicContact CB-CB 4.3Å; D178-D181 WeakPolarHBondContact O-CB 3.41Å; D178-D181 PolarHBondContact O-N 2.93Å; A179-D181 VanDerWaalsContact C-N 3.32Å; D181-A183 VanDerWaalsContact C-N 3.34Å; D181-A183 PolarHBondContact O-N 3.06Å; D181-R184 PolarHBondContact O-N 3.24Å; D181-R184 IonicContact OD1-CZ 3.88Å; D181-R184 IonicContact OD1-NH2 2.67Å; D181-R184 PolarHBondContact OD1-NH2 3.33Å; D181-V185 WeakPolarHBondContact O-CG2 3.5Å; D181-V185 PolarHBondContact O-N 2.88Å; D181-A210 HydrophobicContact CB-CB 3.55Å |
| 182 | V | 98.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.7 | -47.8 | 172.7 | -177 | 0 | 0 | 0 | 0 | 110.5 | V13 A144 P146 L149 I177 D178 A179 R184 V185 M186 L206 | V13-V182 HydrophobicContact CG1-CB 4.2Å; V13-V182 HydrophobicContact CG1-CG1 3.95Å; V13-V182 HydrophobicContact CG2-CB 4.14Å; V13-V182 HydrophobicContact CG2-CG1 4.2Å; A144-V182 HydrophobicContact CB-CG1 4.42Å; P146-V182 HydrophobicContact CB-CG2 3.92Å; L149-V182 HydrophobicContact CD2-CG2 3.77Å; I177-V182 HydrophobicContact CD1-CG2 3.86Å; I177-V182 HydrophobicContact CG1-CG2 4.16Å; I177-V182 HydrophobicContact CG2-CG2 4.03Å; D178-V182 PolarHBondContact O-N 3.31Å; A179-V182 PolarHBondContact O-N 3.27Å; V182-R184 PolarHBondContact O-N 3.47Å; V182-V185 PolarHBondContact O-N 2.94Å; V182-M186 HydrophobicContact CG1-CG 4.45Å; V182-M186 HydrophobicContact CG1-SD 4.11Å; V182-M186 VanDerWaalsContact O-CG 3.3Å; V182-M186 WeakPolarHBondContact O-CG 3.47Å; V182-M186 PolarHBondContact O-N 2.98Å; V182-L206 HydrophobicContact CG2-CD1 4.45Å |
| 183 | A | 98.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58 | -45.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | V13 H16 L17 M20 A179 R180 D181 V185 M186 L187 | V13-A183 HydrophobicContact CG1-CB 4.05Å; H16-A183 HydrophobicContact CB-CB 3.76Å; L17-A183 HydrophobicContact CB-CB 3.86Å; M20-A183 HydrophobicContact CE-CB 4.35Å; M20-A183 HydrophobicContact SD-CB 4.07Å; A179-A183 PolarHBondContact O-N 3.06Å; R180-A183 PolarHBondContact O-N 3.16Å; D181-A183 VanDerWaalsContact C-N 3.34Å; D181-A183 PolarHBondContact O-N 3.06Å; A183-V185 PolarHBondContact O-N 2.78Å; A183-M186 PolarHBondContact O-N 3.43Å; A183-L187 PolarHBondContact O-N 3.1Å |
| 184 | R | 98 | Very high | 89.5 | Confident | 91 Ų | 91 | 56.4 Ų | 56.4 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 179.1 | 176.2 | 170.1 | 46.2 | 125.5 | -9.5 | 112.3 | M20 R180 D181 V182 M186 L187 A188 A210 | M20-R184 HydrophobicContact CE-CB 4.19Å; M20-R184 HydrophobicContact SD-CB 4.23Å; R180-R184 WeakPolarHBondContact O-CB 3.41Å; R180-R184 PolarHBondContact O-N 3.34Å; D181-R184 PolarHBondContact O-N 3.24Å; D181-R184 IonicContact OD1-CZ 3.88Å; D181-R184 IonicContact OD1-NH2 2.67Å; D181-R184 PolarHBondContact OD1-NH2 3.33Å; V182-R184 PolarHBondContact O-N 3.47Å; R184-M186 VanDerWaalsContact C-N 3.34Å; R184-L187 PolarHBondContact O-N 3.32Å; R184-A188 WeakPolarHBondContact O-CB 3.1Å; R184-A188 PolarHBondContact O-N 3.31Å; R184-A210 VanDerWaalsContact CZ-CA 3.47Å; R184-A210 PolarHBondContact NH1-O 3.42Å; R184-A210 VanDerWaalsContact NH2-C 3.31Å; R184-A210 VanDerWaalsContact NH2-CB 3.32Å; R184-A210 PolarHBondContact NH2-O 3.14Å |
| 185 | V | 98.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.1 | -38.6 | 178.6 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | D181 V182 A183 A188 E189 L201 L206 R209 A210 | D181-V185 WeakPolarHBondContact O-CG2 3.5Å; D181-V185 PolarHBondContact O-N 2.88Å; V182-V185 PolarHBondContact O-N 2.94Å; A183-V185 PolarHBondContact O-N 2.78Å; V185-A188 PolarHBondContact O-N 3.02Å; V185-E189 VanDerWaalsContact O-CB 3.3Å; V185-E189 WeakPolarHBondContact O-CB 3.31Å; V185-E189 PolarHBondContact O-N 3.14Å; V185-L201 HydrophobicContact CG1-CD1 3.92Å; V185-L206 HydrophobicContact CB-CD2 4.01Å; V185-L206 HydrophobicContact CG1-CD2 3.72Å; V185-L206 WeakPolarHBondContact CG2-O 3.49Å; V185-R209 HydrophobicContact CG1-CB 4Å; V185-R209 HydrophobicContact CG2-CB 3.7Å; V185-A210 HydrophobicContact CG2-CB 4.03Å |
| 186 | M | 98.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 173.5 | -70.8 | 178.8 | 80.8 | 0 | 0 | 111.5 | V13 F67 L107 V109 A144 V182 A183 R184 E189 A190 | V13-M186 HydrophobicContact CG1-SD 4.09Å; F67-M186 HydrophobicContact CD1-CB 4.45Å; F67-M186 HydrophobicContact CD1-CE 4.22Å; F67-M186 HydrophobicContact CE1-CB 4.33Å; L107-M186 HydrophobicContact CB-CE 3.81Å; L107-M186 HydrophobicContact CD2-CB 4.39Å; L107-M186 VanDerWaalsContact CD2-O 3.25Å; L107-M186 WeakPolarHBondContact CD2-O 3.31Å; V109-M186 HydrophobicContact CG2-CE 3.83Å; V109-M186 HydrophobicContact CG2-SD 3.49Å; V109-M186 WeakPolarHBondContact CG2-SD 3.35Å; A144-M186 HydrophobicContact CB-CG 4.38Å; V182-M186 HydrophobicContact CG1-CG 4.45Å; V182-M186 HydrophobicContact CG1-SD 4.11Å; V182-M186 VanDerWaalsContact O-CG 3.3Å; V182-M186 WeakPolarHBondContact O-CG 3.47Å; V182-M186 PolarHBondContact O-N 2.98Å; A183-M186 PolarHBondContact O-N 3.43Å; R184-M186 VanDerWaalsContact C-N 3.34Å; M186-E189 PolarHBondContact O-N 3.11Å; M186-A190 PolarHBondContact O-N 3.48Å |
| 187 | L | 98.1 | Very high | 92 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.2 | -49.5 | 176.2 | 177.8 | 59 | 0 | 0 | 0 | 111.6 | L17 M20 L21 E24 A183 R184 E189 A190 M191 | L17-L187 HydrophobicContact CD1-CB 3.96Å; M20-L187 HydrophobicContact CB-CD2 3.69Å; L21-L187 HydrophobicContact CD2-CD1 3.75Å; E24-L187 HydrophobicContact CB-CD1 4.44Å; E24-L187 HydrophobicContact CG-CD1 4.2Å; A183-L187 PolarHBondContact O-N 3.1Å; R184-L187 PolarHBondContact O-N 3.32Å; L187-E189 VanDerWaalsContact C-N 3.27Å; L187-E189 PolarHBondContact O-N 3.4Å; L187-A190 WeakPolarHBondContact O-CB 3.14Å; L187-A190 PolarHBondContact O-N 2.88Å; L187-M191 HydrophobicContact CD1-CE 3.84Å; L187-M191 HydrophobicContact CD1-CG 4.25Å; L187-M191 WeakPolarHBondContact O-CG 3.34Å; L187-M191 PolarHBondContact O-N 3.1Å; L187-M191 VanDerWaalsContact O-N 3.17Å |
| 188 | A | 96.5 | Very high | 92.4 | Very high | 47 Ų | 47 | 56.4 Ų | 56.4 | 39% | 0.388 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.3 | -39.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | R184 V185 M191 R192 | R184-A188 WeakPolarHBondContact O-CB 3.1Å; R184-A188 PolarHBondContact O-N 3.31Å; V185-A188 PolarHBondContact O-N 3.02Å; A188-M191 PolarHBondContact O-N 3.07Å; A188-R192 WeakPolarHBondContact O-CG 3.39Å; A188-R192 PolarHBondContact O-N 3.44Å |
| 189 | E | 96.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69.6 | -34.7 | 178.4 | -170.3 | 52.8 | -129.4 | 0 | 0 | 112.9 | L107 K140 T142 V185 M186 L187 M191 R192 H195 L201 R209 | L107-E189 HydrophobicContact CD2-CB 4.29Å; K140-E189 WeakPolarHBondContact CE-OE1 3.4Å; K140-E189 PolarHBondContact NZ-O 3.17Å; K140-E189 IonicContact NZ-OE1 2.77Å; K140-E189 PolarHBondContact NZ-OE1 3.29Å; K140-E189 VanDerWaalsContact NZ-OE1 3.12Å; T142-E189 HydrophobicContact CG2-CG 3.74Å; V185-E189 VanDerWaalsContact O-CB 3.3Å; V185-E189 WeakPolarHBondContact O-CB 3.31Å; V185-E189 PolarHBondContact O-N 3.14Å; M186-E189 PolarHBondContact O-N 3.11Å; L187-E189 VanDerWaalsContact C-N 3.27Å; L187-E189 PolarHBondContact O-N 3.4Å; E189-M191 VanDerWaalsContact C-N 3.29Å; E189-M191 PolarHBondContact O-N 3.05Å; E189-R192 PolarHBondContact O-N 3.08Å; E189-R192 IonicContact OE2-CZ 2.7Å; E189-R192 IonicContact OE2-NH1 2.88Å; E189-R192 PolarHBondContact OE2-NH1 2.83Å; E189-H195 IonicContact OE1-CD2 3.88Å; E189-L201 HydrophobicContact CG-CD1 4.49Å; E189-R209 IonicContact OE2-NH1 2.95Å; E189-R209 PolarHBondContact OE2-NH1 3.47Å |
| 190 | A | 96.9 | Very high | 92.9 | Very high | 10 Ų | 10 | 57.9 Ų | 57.9 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.1 | -31.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I65 F67 L107 M186 L187 R192 | I65-A190 HydrophobicContact CD1-CB 4.34Å; I65-A190 HydrophobicContact CG2-CB 4.25Å; F67-A190 HydrophobicContact CE1-CB 3.74Å; F67-A190 HydrophobicContact CE2-CB 4.35Å; F67-A190 HydrophobicContact CZ-CB 3.32Å; L107-A190 HydrophobicContact CD1-CB 3.96Å; L107-A190 HydrophobicContact CD2-CB 4.05Å; M186-A190 PolarHBondContact O-N 3.48Å; L187-A190 WeakPolarHBondContact O-CB 3.14Å; L187-A190 PolarHBondContact O-N 2.88Å; A190-R192 VanDerWaalsContact C-N 3.33Å |
| 191 | M | 94.4 | Very high | 93 | Very high | 31 Ų | 31 | 50.8 Ų | 50.8 | 15% | 0.153 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 2.2 | -177.8 | -59.6 | -54.9 | 137 | 0 | 0 | 114.2 | E24 K26 V27 I65 L187 A188 E189 | E24-M191 HydrophobicContact CG-CE 4.35Å; E24-M191 HydrophobicContact CG-SD 4.32Å; K26-M191 HydrophobicContact CB-SD 3.79Å; K26-M191 HydrophobicContact CD-CB 4.4Å; K26-M191 HydrophobicContact CD-CG 4.43Å; K26-M191 HydrophobicContact CD-SD 3.99Å; V27-M191 HydrophobicContact CG2-CE 3.94Å; I65-M191 HydrophobicContact CD1-CE 4.31Å; L187-M191 HydrophobicContact CD1-CE 3.84Å; L187-M191 HydrophobicContact CD1-CG 4.25Å; L187-M191 WeakPolarHBondContact O-CG 3.34Å; L187-M191 PolarHBondContact O-N 3.1Å; L187-M191 VanDerWaalsContact O-N 3.17Å; A188-M191 PolarHBondContact O-N 3.07Å; E189-M191 VanDerWaalsContact C-N 3.29Å; E189-M191 PolarHBondContact O-N 3.05Å |
| 192 | R | 90 | Very high | 93 | Very high | 103 Ų | 103 | 50.4 Ų | 50.4 | 39% | 0.389 | 27% | 0.269 | S | S | . | . | trans | -88.6 | 125.8 | 178.5 | -79.6 | 174.1 | 177.2 | 173.3 | -7.5 | 111.9 | K140 A188 E189 A190 | K140-R192 PolarHBondContact NZ-O 2.94Å; A188-R192 WeakPolarHBondContact O-CG 3.39Å; A188-R192 PolarHBondContact O-N 3.44Å; E189-R192 PolarHBondContact O-N 3.08Å; E189-R192 IonicContact OE2-CZ 2.7Å; E189-R192 IonicContact OE2-NH1 2.88Å; E189-R192 PolarHBondContact OE2-NH1 2.83Å; A190-R192 VanDerWaalsContact C-N 3.33Å | ||
| 193 | P | 76.3 | Confident | 92.8 | Very high | 124 Ų | 124 | 50.8 Ų | 50.8 | 81% | 0.805 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -76.3 | -19.3 | -179.7 | 24.7 | -25.9 | 0 | 0 | 0 | 114.4 | H195 | P193-H195 PolarHBondContact O-N 3.27Š|
| 194 | E | 70.3 | Confident | 92.5 | Very high | 167 Ų | 167 | 54.2 Ų | 54.2 | 78% | 0.78 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -98.1 | 19.3 | -157.4 | -63.9 | 178 | -178.6 | 0 | 0 | 116.6 | ||
| 195 | H | 74 | Confident | 92.4 | Very high | 79 Ų | 79 | 53.4 Ų | 53.4 | 37% | 0.366 | 30% | 0.296 | S | S | . | . | trans | -134.2 | 111.2 | -176.8 | -69.2 | -42 | 0 | 0 | 0 | 112.5 | K140 E189 P193 | K140-H195 WeakPolarHBondContact CD-O 3.27Å; K140-H195 VanDerWaalsContact CE-O 3.3Å; K140-H195 WeakPolarHBondContact CE-O 3.48Å; K140-H195 WeakPolarHBondContact CG-O 3.37Å; E189-H195 IonicContact OE1-CD2 3.88Å; P193-H195 PolarHBondContact O-N 3.27Å | ||
| 196 | E | 86.8 | Confident | 92.3 | Very high | 148 Ų | 148 | 53.3 Ų | 53.3 | 69% | 0.692 | 30% | 0.295 | S | S | * | . | trans | -98.2 | 161.5 | 163.9 | -63.9 | -168 | 152 | 0 | 0 | 110.5 | Q139 | Q139-E196 HydrophobicContact CG-CG 4.38Å; Q139-E196 PolarHBondContact NE2-OE1 3.39Å; Q139-E196 CarbonylContact O-C 3.59Å; Q139-E196 WeakPolarHBondContact O-CA 3.2Å | ||
| 197 | G | 95.3 | Very high | 92 | Very high | 30 Ų | 30 | 55.9 Ų | 55.9 | 31% | 0.309 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 83.2 | -155.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q139 L141 | Q139-G197 PolarHBondContact O-N 3.04Å; L141-G197 PolarHBondContact N-O 2.85Å |
| 198 | V | 97.6 | Very high | 91.8 | Very high | 72 Ų | 72 | 62.6 Ų | 62.6 | 44% | 0.436 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 121.4 | -173.9 | -175.2 | 0 | 0 | 0 | 0 | 110.4 | I134 L141 I143 I200 | I134-V198 HydrophobicContact CD1-CG1 4.47Å; I134-V198 HydrophobicContact CG1-CG1 4.19Å; I134-V198 HydrophobicContact CG1-CG2 4.29Å; L141-V198 HydrophobicContact CB-CG2 4.37Å; L141-V198 HydrophobicContact CD2-CG1 4.38Å; L141-V198 HydrophobicContact CD2-CG2 4.31Å; L141-V198 CarbonylContact O-C 3.2Å; L141-V198 WeakPolarHBondContact O-CA 3.4Å; I143-V198 HydrophobicContact CD1-CG1 4.28Å; V198-I200 HydrophobicContact CG1-CG1 4.19Å |
| 199 | T | 97.3 | Very high | 91.7 | Very high | 29 Ų | 29 | 64.4 Ų | 64.4 | 18% | 0.178 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 120.8 | 172.4 | -62 | 0 | 0 | 0 | 0 | 109.7 | L141 T142 I143 L201 | L141-T199 PolarHBondContact O-N 2.78Å; T142-T199 CarbonylContact C-O 3.57Å; T142-T199 WeakPolarHBondContact CA-O 3.33Å; I143-T199 PolarHBondContact N-O 2.99Å; T199-L201 HydrophobicContact CG2-CD2 3.71Å; T199-L201 HydrophobicContact CG2-CG 4.19Å |
| 200 | I | 97.9 | Very high | 91.5 | Very high | 66 Ų | 66 | 64.8 Ų | 64.8 | 34% | 0.338 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.2 | 174.2 | -55.9 | -179.2 | 0 | 0 | 0 | 108.3 | I143 R145 V198 | I143-I200 HydrophobicContact CB-CG1 4.29Å; I143-I200 HydrophobicContact CD1-CG1 4.3Å; I143-I200 CarbonylContact O-C 3.53Å; I143-I200 WeakPolarHBondContact O-CA 3.25Å; R145-I200 HydrophobicContact CG-CG2 4.1Å; V198-I200 HydrophobicContact CG1-CG1 4.19Å |
| 201 | L | 97.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 109.7 | 178.8 | -57.1 | 178.8 | 0 | 0 | 0 | 109.7 | T142 I143 R145 V185 E189 T199 L206 | T142-L201 HydrophobicContact CG2-CD1 3.83Å; T142-L201 HydrophobicContact CG2-CG 4.18Å; I143-L201 PolarHBondContact O-N 2.86Å; R145-L201 PolarHBondContact N-O 2.75Å; V185-L201 HydrophobicContact CG1-CD1 3.92Å; E189-L201 HydrophobicContact CG-CD1 4.49Å; T199-L201 HydrophobicContact CG2-CD2 3.71Å; T199-L201 HydrophobicContact CG2-CG 4.19Å; L201-L206 HydrophobicContact CB-CD2 3.86Å; L201-L206 HydrophobicContact CB-CG 4.11Å; L201-L206 HydrophobicContact CD1-CD2 4Å |
| 202 | S | 96.5 | Very high | 90.6 | Very high | 38 Ų | 38 | 76.3 Ų | 76.3 | 27% | 0.266 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 160.2 | 173.8 | 66.2 | 0 | 0 | 0 | 0 | 112 | S204 E205 L206 | S202-S204 PolarHBondContact O-N 2.8Å; S202-S204 PolarHBondContact OG-OG 3.39Å; S202-S204 VanDerWaalsContact OG-OG 3.07Å; S202-E205 VanDerWaalsContact CB-OE2 3.28Å; S202-E205 WeakPolarHBondContact CB-OE2 3.46Å; S202-E205 PolarHBondContact N-OE2 2.8Å; S202-E205 PolarHBondContact O-N 3.4Å; S202-E205 VanDerWaalsContact OG-CG 3.3Å; S202-E205 WeakPolarHBondContact OG-CG 3.42Å; S202-E205 PolarHBondContact OG-N 3.28Å; S202-E205 PolarHBondContact OG-OE2 3.09Å; S202-L206 WeakPolarHBondContact O-CG 3.17Å; S202-L206 PolarHBondContact O-N 2.81Å |
| 203 | S | 94.1 | Very high | 90.6 | Very high | 7 Ų | 7 | 74.8 Ų | 74.8 | 5% | 0.049 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58 | -31.7 | 176.6 | -172.3 | 0 | 0 | 0 | 0 | 114 | R145 S147 R207 | R145-S203 PolarHBondContact O-N 2.85Å; R145-S203 VanDerWaalsContact O-N 3.09Å; S147-S203 WeakPolarHBondContact CB-OG 3.42Å; S147-S203 PolarHBondContact N-OG 3.48Å; S147-S203 VanDerWaalsContact N-OG 3.12Å; S147-S203 PolarHBondContact OG-OG 2.7Å; S203-R207 PolarHBondContact O-N 3.18Å; S203-R207 VanDerWaalsContact O-N 3.15Å |
| 204 | S | 92.7 | Very high | 91.4 | Very high | 72 Ų | 72 | 72.1 Ų | 72.1 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -70.6 | -39.4 | 174.9 | 41.5 | 0 | 0 | 0 | 0 | 112.1 | S202 R207 K208 | S202-S204 PolarHBondContact O-N 2.8Å; S202-S204 PolarHBondContact OG-OG 3.39Å; S202-S204 VanDerWaalsContact OG-OG 3.07Å; S204-R207 PolarHBondContact O-N 3.12Å; S204-K208 WeakPolarHBondContact O-CB 3.37Å; S204-K208 PolarHBondContact O-N 3.46Å |
| 205 | E | 95.4 | Very high | 92.6 | Very high | 75 Ų | 75 | 66.5 Ų | 66.5 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.7 | -40.1 | 175.7 | -70.2 | 166.4 | 116.3 | 0 | 0 | 111.8 | S202 R207 K208 R209 | S202-E205 VanDerWaalsContact CB-OE2 3.28Å; S202-E205 WeakPolarHBondContact CB-OE2 3.46Å; S202-E205 PolarHBondContact N-OE2 2.8Å; S202-E205 PolarHBondContact O-N 3.4Å; S202-E205 VanDerWaalsContact OG-CG 3.3Å; S202-E205 WeakPolarHBondContact OG-CG 3.42Å; S202-E205 PolarHBondContact OG-N 3.28Å; S202-E205 PolarHBondContact OG-OE2 3.09Å; E205-R207 VanDerWaalsContact C-N 3.32Å; E205-R207 PolarHBondContact O-N 3.46Å; E205-K208 PolarHBondContact O-N 2.93Å; E205-R209 WeakPolarHBondContact O-CB 3.38Å; E205-R209 VanDerWaalsContact O-CG 3.27Å; E205-R209 WeakPolarHBondContact O-CG 3.22Å; E205-R209 PolarHBondContact O-N 3.41Å |
| 206 | L | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.7 | -45.5 | 173.5 | -68.3 | 170.7 | 0 | 0 | 0 | 110.8 | A144 P146 I177 V182 V185 L201 S202 A210 | A144-L206 HydrophobicContact CB-CD1 4.18Å; A144-L206 HydrophobicContact CB-CD2 4.15Å; P146-L206 HydrophobicContact CB-CD1 4Å; I177-L206 HydrophobicContact CD1-CB 3.51Å; V182-L206 HydrophobicContact CG2-CD1 4.45Å; V185-L206 HydrophobicContact CB-CD2 4.01Å; V185-L206 HydrophobicContact CG1-CD2 3.72Å; V185-L206 WeakPolarHBondContact CG2-O 3.49Å; L201-L206 HydrophobicContact CB-CD2 3.86Å; L201-L206 HydrophobicContact CB-CG 4.11Å; L201-L206 HydrophobicContact CD1-CD2 4Å; S202-L206 WeakPolarHBondContact O-CG 3.17Å; S202-L206 PolarHBondContact O-N 2.81Å; L206-A210 VanDerWaalsContact O-CB 3.23Å; L206-A210 WeakPolarHBondContact O-CB 3.32Å; L206-A210 PolarHBondContact O-N 3.11Å; L206-A210 VanDerWaalsContact O-N 3.14Å |
| 207 | R | 91.9 | Very high | 94.3 | Very high | 54 Ų | 54 | 60.3 Ų | 60.3 | 20% | 0.204 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.3 | -51.4 | 174.6 | -80 | -171.1 | -74.9 | -100.7 | 1.8 | 112.3 | K175 I177 S203 S204 E205 R209 A210 E211 | K175-R207 PolarHBondContact O-NH1 2.87Å; I177-R207 HydrophobicContact CB-CG 4.47Å; I177-R207 HydrophobicContact CD1-CG 3.85Å; I177-R207 HydrophobicContact CG1-CG 4.02Å; S203-R207 PolarHBondContact O-N 3.18Å; S203-R207 VanDerWaalsContact O-N 3.15Å; S204-R207 PolarHBondContact O-N 3.12Å; E205-R207 VanDerWaalsContact C-N 3.32Å; E205-R207 PolarHBondContact O-N 3.46Å; R207-R209 VanDerWaalsContact C-N 3.28Å; R207-R209 PolarHBondContact O-N 3.12Å; R207-A210 CarbonylContact O-C 3.59Å; R207-A210 WeakPolarHBondContact O-CA 3.43Å; R207-A210 WeakPolarHBondContact O-CB 3.37Å; R207-A210 PolarHBondContact O-N 3.45Å; R207-E211 PolarHBondContact O-N 2.83Å |
| 208 | K | 93.9 | Very high | 94.2 | Very high | 161 Ų | 161 | 62.4 Ų | 62.4 | 70% | 0.7 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -60.4 | -37.6 | -177.5 | -176.7 | 179.8 | 177.3 | -177.7 | 0 | 112.5 | S204 E205 A210 E211 | S204-K208 WeakPolarHBondContact O-CB 3.37Å; S204-K208 PolarHBondContact O-N 3.46Å; E205-K208 PolarHBondContact O-N 2.93Å; K208-A210 VanDerWaalsContact C-N 3.25Å; K208-E211 PolarHBondContact O-N 2.82Å |
| 209 | R | 94.6 | Very high | 94 | Very high | 86 Ų | 86 | 61.7 Ų | 61.7 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -78.9 | -12.1 | 178.1 | -67.2 | 179.2 | -173 | -153.5 | 3.7 | 113 | V185 E189 E205 R207 | V185-R209 HydrophobicContact CG1-CB 4Å; V185-R209 HydrophobicContact CG2-CB 3.7Å; E189-R209 IonicContact OE2-NH1 2.95Å; E189-R209 PolarHBondContact OE2-NH1 3.47Å; E205-R209 WeakPolarHBondContact O-CB 3.38Å; E205-R209 VanDerWaalsContact O-CG 3.27Å; E205-R209 WeakPolarHBondContact O-CG 3.22Å; E205-R209 PolarHBondContact O-N 3.41Å; R207-R209 VanDerWaalsContact C-N 3.28Å; R207-R209 PolarHBondContact O-N 3.12Å |
| 210 | A | 91 | Very high | 93.7 | Very high | 8 Ų | 8 | 64.4 Ų | 64.4 | 7% | 0.066 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -2.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | D181 R184 V185 L206 R207 K208 | D181-A210 HydrophobicContact CB-CB 3.55Å; R184-A210 VanDerWaalsContact CZ-CA 3.47Å; R184-A210 PolarHBondContact NH1-O 3.42Å; R184-A210 VanDerWaalsContact NH2-C 3.31Å; R184-A210 VanDerWaalsContact NH2-CB 3.32Å; R184-A210 PolarHBondContact NH2-O 3.14Å; V185-A210 HydrophobicContact CG2-CB 4.03Å; L206-A210 VanDerWaalsContact O-CB 3.23Å; L206-A210 WeakPolarHBondContact O-CB 3.32Å; L206-A210 PolarHBondContact O-N 3.11Å; L206-A210 VanDerWaalsContact O-N 3.14Å; R207-A210 CarbonylContact O-C 3.59Å; R207-A210 WeakPolarHBondContact O-CA 3.43Å; R207-A210 WeakPolarHBondContact O-CB 3.37Å; R207-A210 PolarHBondContact O-N 3.45Å; K208-A210 VanDerWaalsContact C-N 3.25Å |
| 211 | E | 82.5 | Confident | 93.3 | Very high | 206 Ų | 206 | 64.3 Ų | 64.3 | 96% | 0.963 | 31% | 0.311 | S | S | * | . | trans | -79.1 | 0 | 168.6 | -70 | 165.8 | -169.7 | 0 | 0 | 110 | R207 K208 | R207-E211 PolarHBondContact O-N 2.83Å; K208-E211 PolarHBondContact O-N 2.82Å |
Retrieved 211 of 211 residues in 524.3 ms
(Link to these results)