| 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 | 69.5 | Low | 90.2 | Very high | 194 Ų | 194 | 36 Ų | 36 | 96% | 0.956 | 21% | 0.208 | S | C | * | . | 0 | 125.3 | 0 | -80.3 | -76 | 170.3 | 0 | 0 | 107.1 | V3 S87 | M1-V3 PolarHBondContact O-N 2.93Å; M1-S87 WeakPolarHBondContact O-CB 3.07Å; M1-S87 PolarHBondContact O-OG 2.85Å | |||
| 2 | A | 92 | Very high | 90.1 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 23% | 0.231 | 23% | 0.225 | C | C | . | . | trans | -90.5 | 64.8 | -169 | 0 | 0 | 0 | 0 | 0 | 112.5 | G33 K35 P177 | A2-G33 WeakPolarHBondContact CB-O 3.49Å; A2-K35 PolarHBondContact O-N 3.05Å; A2-P177 HydrophobicContact CB-CB 3.87Å; A2-P177 HydrophobicContact CB-CG 3.56Å | ||
| 3 | V | 96.9 | Very high | 90.3 | Very high | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129.8 | -178.4 | -174.8 | 0 | 0 | 0 | 0 | 109.7 | M1 D36 I38 R85 A86 S87 L88 | M1-V3 PolarHBondContact O-N 2.93Å; V3-D36 WeakPolarHBondContact CA-O 3.24Å; V3-D36 HydrophobicContact CB-CB 4.45Å; V3-D36 HydrophobicContact CG1-CB 4.16Å; V3-D36 HydrophobicContact CG2-CB 4.07Å; V3-I38 HydrophobicContact CG1-CD1 3.83Å; V3-I38 HydrophobicContact CG1-CG1 4.02Å; V3-R85 WeakPolarHBondContact CB-O 3.42Å; V3-A86 WeakPolarHBondContact O-CA 3.1Å; V3-S87 PolarHBondContact O-N 3.27Å; V3-S87 PolarHBondContact O-OG 3.48Å; V3-L88 PolarHBondContact O-N 3.34Å |
| 4 | A | 97.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 135.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L29 Y34 D36 L37 I38 L88 | A4-L29 HydrophobicContact CB-CD1 3.85Å; A4-L29 HydrophobicContact CB-CD2 4.21Å; A4-Y34 HydrophobicContact CB-CD1 3.9Å; A4-Y34 HydrophobicContact CB-CE1 4.29Å; A4-Y34 HydrophobicContact CB-CG 4.27Å; A4-D36 PolarHBondContact N-O 2.89Å; A4-L37 HydrophobicContact CB-CD1 4.1Å; A4-L37 WeakPolarHBondContact O-CA 3.15Å; A4-I38 PolarHBondContact O-N 3.36Å; A4-L88 WeakPolarHBondContact CA-O 3.39Å; A4-L88 HydrophobicContact CB-CD2 4.44Å |
| 5 | F | 97.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.8 | 175.7 | 176.5 | -140.7 | 0 | 0 | 0 | 110.1 | T7 I38 Q40 F73 L79 E82 F83 A86 L88 V89 I90 | F5-T7 HydrophobicContact CD1-CG2 4.45Å; F5-T7 HydrophobicContact CE1-CG2 3.97Å; F5-T7 HydrophobicContact CZ-CG2 4.14Å; F5-I38 CarbonylContact C-O 3.55Å; F5-I38 WeakPolarHBondContact CA-O 3.19Å; F5-I38 HydrophobicContact CD2-CB 3.84Å; F5-I38 HydrophobicContact CD2-CG2 3.83Å; F5-I38 WeakPolarHBondContact CD2-O 3.47Å; F5-I38 HydrophobicContact CE2-CG2 4.05Å; F5-Q40 HydrophobicContact CE2-CB 4.08Å; F5-Q40 HydrophobicContact CZ-CB 4.28Å; F5-F73 HydrophobicContact CE2-CZ 4.14Å; F5-F73 HydrophobicContact CZ-CZ 4.35Å; F5-L79 HydrophobicContact CZ-CD2 4.43Å; F5-E82 HydrophobicContact CD1-CB 3.94Å; F5-E82 HydrophobicContact CD2-CB 4.23Å; F5-E82 HydrophobicContact CD2-CG 4.43Å; F5-E82 HydrophobicContact CE1-CB 3.74Å; F5-E82 HydrophobicContact CE2-CB 4.06Å; F5-E82 HydrophobicContact CE2-CG 4.1Å; F5-E82 HydrophobicContact CG-CB 4.19Å; F5-E82 HydrophobicContact CZ-CB 3.8Å; F5-E82 HydrophobicContact CZ-CG 4.19Å; F5-F83 HydrophobicContact CD1-CD1 4.43Å; F5-F83 HydrophobicContact CD1-CE1 4.37Å; F5-F83 HydrophobicContact CE1-CD2 4.32Å; F5-F83 HydrophobicContact CE1-CE1 4.32Å; F5-F83 HydrophobicContact CE1-CE2 4.04Å; F5-F83 HydrophobicContact CE1-CZ 4.06Å; F5-A86 HydrophobicContact CB-CB 3.71Å; F5-L88 PolarHBondContact N-O 3.21Å; F5-V89 CarbonylContact O-C 3.53Å; F5-V89 VanDerWaalsContact O-CA 3.29Å; F5-V89 WeakPolarHBondContact O-CA 3.27Å; F5-I90 PolarHBondContact O-N 2.92Å |
| 6 | V | 97.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 132.8 | 173.1 | 179.3 | 0 | 0 | 0 | 0 | 108.9 | L16 V20 F25 L37 I38 I39 Q40 I90 | V6-L16 HydrophobicContact CG1-CD2 4.13Å; V6-L16 HydrophobicContact CG1-CG 4.32Å; V6-V20 HydrophobicContact CG1-CG2 4.01Å; V6-V20 HydrophobicContact CG2-CG2 4.14Å; V6-F25 HydrophobicContact CG2-CZ 3.94Å; V6-L37 HydrophobicContact CG2-CD1 3.82Å; V6-I38 PolarHBondContact N-O 3.16Å; V6-I39 HydrophobicContact CB-CG1 4.48Å; V6-I39 HydrophobicContact CB-CG2 4.26Å; V6-I39 HydrophobicContact CG1-CG2 4.38Å; V6-I39 CarbonylContact O-C 3.53Å; V6-I39 WeakPolarHBondContact O-CA 3.48Å; V6-Q40 PolarHBondContact O-N 3.42Å; V6-I90 CarbonylContact C-O 3.58Å; V6-I90 VanDerWaalsContact CA-O 3.29Å; V6-I90 WeakPolarHBondContact CA-O 3.09Å; V6-I90 HydrophobicContact CG2-CB 4.11Å; V6-I90 HydrophobicContact CG2-CD1 4.18Å |
| 7 | T | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 127.5 | 175.2 | 173.6 | 0 | 0 | 0 | 0 | 113.5 | F5 G9 Q40 V89 I90 S91 H92 T97 | F5-T7 HydrophobicContact CD1-CG2 4.45Å; F5-T7 HydrophobicContact CE1-CG2 3.97Å; F5-T7 HydrophobicContact CZ-CG2 4.14Å; T7-G9 VanDerWaalsContact C-N 3.33Å; T7-G9 PolarHBondContact OG1-N 3.32Å; T7-Q40 PolarHBondContact OG1-OE1 3.45Å; T7-V89 HydrophobicContact CG2-CG1 4.34Å; T7-I90 PolarHBondContact N-O 3.17Å; T7-S91 WeakPolarHBondContact O-CA 3.48Å; T7-H92 PolarHBondContact O-N 2.74Å; T7-T97 HydrophobicContact CG2-CG2 3.47Å; T7-T97 VanDerWaalsContact CG2-CG2 3.47Å |
| 8 | V | 93.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -93.3 | 6.1 | 168.2 | -52.7 | 0 | 0 | 0 | 0 | 112.2 | T11 F13 L16 I17 Q40 H92 | V8-T11 PolarHBondContact O-N 3.3Å; V8-T11 PolarHBondContact O-OG1 2.87Å; V8-F13 HydrophobicContact CB-CB 4.02Å; V8-F13 HydrophobicContact CG1-CB 3.81Å; V8-F13 HydrophobicContact CG1-CD1 4.5Å; V8-L16 HydrophobicContact CG1-CD2 4.04Å; V8-I17 HydrophobicContact CG1-CD1 3.84Å; V8-I17 HydrophobicContact CG1-CG1 4.27Å; V8-Q40 PolarHBondContact N-O 3.05Å; V8-H92 PolarHBondContact O-CE1 2.81Å; V8-H92 VanDerWaalsContact O-CE1 3.27Å; V8-H92 PolarHBondContact O-ND1 2.85Å | ||
| 9 | G | 86.5 | Confident | 91.8 | Very high | 9 Ų | 9 | 33.4 Ų | 33.4 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | -136.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T7 Q40 | T7-G9 VanDerWaalsContact C-N 3.33Å; T7-G9 PolarHBondContact OG1-N 3.32Å; G9-Q40 PolarHBondContact O-NE2 3.4Å |
| 10 | T | 81.9 | Confident | 92 | Very high | 107 Ų | 107 | 31.8 Ų | 31.8 | 66% | 0.656 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 0.1 | 176.8 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | ||
| 11 | T | 83.1 | Confident | 92.1 | Very high | 53 Ų | 53 | 31.1 Ų | 31.1 | 33% | 0.325 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -82.2 | 170.3 | -173.9 | 70.7 | 0 | 0 | 0 | 0 | 112.3 | V8 S43 | V8-T11 PolarHBondContact O-N 3.3Å; V8-T11 PolarHBondContact O-OG1 2.87Å; T11-S43 PolarHBondContact O-N 3.07Å |
| 12 | S | 89.3 | Confident | 93.2 | Very high | 58 Ų | 58 | 25.9 Ų | 25.9 | 41% | 0.406 | 16% | 0.157 | S | C | . | . | trans | -93.7 | 118.7 | 165.1 | -178 | 0 | 0 | 0 | 0 | 108.7 | G44 | S12-G44 WeakPolarHBondContact OG-CA 3.36Š| ||
| 13 | F | 92.5 | Very high | 93.1 | Very high | 8 Ų | 8 | 25.8 Ų | 25.8 | 4% | 0.035 | 15% | 0.154 | C | C | . | . | trans | -142.5 | 63.1 | 175.7 | -164.3 | -177.8 | 0 | 0 | 0 | 111.2 | V8 G15 L16 I17 H92 V113 N115 P141 | V8-F13 HydrophobicContact CB-CB 4.02Å; V8-F13 HydrophobicContact CG1-CB 3.81Å; V8-F13 HydrophobicContact CG1-CD1 4.5Å; F13-G15 PolarHBondContact O-N 2.88Å; F13-L16 HydrophobicContact CD1-CB 3.79Å; F13-L16 HydrophobicContact CD1-CD2 4.18Å; F13-L16 HydrophobicContact CD2-CB 4.15Å; F13-L16 HydrophobicContact CE1-CB 3.96Å; F13-L16 HydrophobicContact CE1-CD2 4.33Å; F13-L16 HydrophobicContact CE2-CB 4.29Å; F13-L16 HydrophobicContact CG-CB 3.9Å; F13-L16 HydrophobicContact CZ-CB 4.2Å; F13-L16 PolarHBondContact O-N 3.12Å; F13-L16 VanDerWaalsContact O-N 3.08Å; F13-I17 PolarHBondContact O-N 3.16Å; F13-H92 HydrophobicContact CD1-CB 3.5Å; F13-H92 VanDerWaalsContact CD1-CB 3.5Å; F13-H92 HydrophobicContact CE1-CB 3.79Å; F13-V113 HydrophobicContact CE1-CB 4.44Å; F13-V113 HydrophobicContact CE1-CG1 4.26Å; F13-V113 WeakPolarHBondContact CE1-O 3.25Å; F13-V113 HydrophobicContact CZ-CG1 4.15Å; F13-N115 HydrophobicContact CD2-CB 4.3Å; F13-N115 HydrophobicContact CE1-CB 3.96Å; F13-N115 HydrophobicContact CE2-CB 3.65Å; F13-N115 VanDerWaalsContact CE2-CG 3.41Å; F13-N115 HydrophobicContact CZ-CB 3.46Å; F13-N115 VanDerWaalsContact CZ-CB 3.46Å; F13-P141 HydrophobicContact CE2-CG 3.59Å; F13-P141 HydrophobicContact CZ-CG 3.53Å | ||
| 14 | D | 94.1 | Very high | 92.8 | Very high | 37 Ų | 37 | 30.2 Ų | 30.2 | 20% | 0.198 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -55.9 | -32.2 | -179.9 | -74.1 | -13.4 | 0 | 0 | 0 | 112.3 | L16 I17 N18 G44 S45 V46 | D14-L16 PolarHBondContact O-N 2.92Å; D14-I17 PolarHBondContact O-N 3.25Å; D14-N18 WeakPolarHBondContact O-CB 3.06Å; D14-N18 VanDerWaalsContact O-CG 3.28Å; D14-N18 PolarHBondContact O-N 2.68Å; D14-N18 PolarHBondContact O-ND2 3.3Å; D14-N18 VanDerWaalsContact O-ND2 3.15Å; D14-G44 WeakPolarHBondContact OD1-CA 3.29Å; D14-S45 PolarHBondContact OD1-N 3.06Å; D14-S45 PolarHBondContact OD2-N 2.95Å; D14-S45 PolarHBondContact OD2-OG 2.64Å; D14-V46 HydrophobicContact CB-CB 4.17Å; D14-V46 HydrophobicContact CB-CG2 3.61Å; D14-V46 PolarHBondContact OD1-N 3.32Å |
| 15 | G | 94.4 | Very high | 92.6 | Very high | 31 Ų | 31 | 30.2 Ų | 30.2 | 32% | 0.32 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -55.2 | -47.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | F13 E19 | F13-G15 PolarHBondContact O-N 2.88Å; G15-E19 WeakPolarHBondContact O-CG 3.4Å; G15-E19 PolarHBondContact O-N 2.82Å |
| 16 | L | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67 | -43.2 | 176.5 | 175.4 | 53.5 | 0 | 0 | 0 | 111.6 | V6 V8 F13 D14 N18 E19 V20 I90 V113 L144 | V6-L16 HydrophobicContact CG1-CD2 4.13Å; V6-L16 HydrophobicContact CG1-CG 4.32Å; V8-L16 HydrophobicContact CG1-CD2 4.04Å; F13-L16 HydrophobicContact CD1-CB 3.79Å; F13-L16 HydrophobicContact CD1-CD2 4.18Å; F13-L16 HydrophobicContact CD2-CB 4.15Å; F13-L16 HydrophobicContact CE1-CB 3.96Å; F13-L16 HydrophobicContact CE1-CD2 4.33Å; F13-L16 HydrophobicContact CE2-CB 4.29Å; F13-L16 HydrophobicContact CG-CB 3.9Å; F13-L16 HydrophobicContact CZ-CB 4.2Å; F13-L16 PolarHBondContact O-N 3.12Å; F13-L16 VanDerWaalsContact O-N 3.08Å; D14-L16 PolarHBondContact O-N 2.92Å; L16-N18 VanDerWaalsContact C-N 3.31Å; L16-N18 PolarHBondContact O-N 3.37Å; L16-E19 PolarHBondContact O-N 2.96Å; L16-V20 HydrophobicContact CD1-CG2 4.11Å; L16-V20 HydrophobicContact CG-CG2 4.46Å; L16-V20 VanDerWaalsContact O-CG2 3.29Å; L16-V20 WeakPolarHBondContact O-CG2 3.27Å; L16-V20 PolarHBondContact O-N 3.48Å; L16-I90 HydrophobicContact CD1-CG2 4.35Å; L16-V113 HydrophobicContact CD1-CB 4.42Å; L16-V113 HydrophobicContact CD1-CG1 4.25Å; L16-V113 HydrophobicContact CD1-CG2 4.06Å; L16-V113 HydrophobicContact CD2-CB 4.37Å; L16-V113 HydrophobicContact CD2-CG2 4.41Å; L16-L144 HydrophobicContact CD1-CD2 3.51Å |
| 17 | I | 96.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.1 | -34.7 | -178.6 | -53.7 | -56.2 | 0 | 0 | 0 | 111.6 | V8 F13 D14 E19 V20 N21 I39 V46 P48 | V8-I17 HydrophobicContact CG1-CD1 3.84Å; V8-I17 HydrophobicContact CG1-CG1 4.27Å; F13-I17 PolarHBondContact O-N 3.16Å; D14-I17 PolarHBondContact O-N 3.25Å; I17-E19 VanDerWaalsContact C-N 3.33Å; I17-E19 PolarHBondContact O-N 3.43Å; I17-V20 PolarHBondContact O-N 3.23Å; I17-N21 WeakPolarHBondContact O-CB 3.28Å; I17-N21 VanDerWaalsContact O-CG 3.31Å; I17-N21 PolarHBondContact O-N 3.39Å; I17-I39 HydrophobicContact CD1-CG2 4.11Å; I17-V46 HydrophobicContact CB-CB 4.28Å; I17-V46 HydrophobicContact CB-CG1 4.05Å; I17-V46 HydrophobicContact CG2-CB 4.21Å; I17-V46 HydrophobicContact CG2-CG1 3.66Å; I17-P48 HydrophobicContact CG2-CG 4.13Å |
| 18 | N | 95.6 | Very high | 92 | Very high | 79 Ų | 79 | 32 Ų | 32 | 42% | 0.422 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.8 | -44 | 172.3 | -79.4 | -35.6 | 0 | 0 | 0 | 111.9 | D14 L16 N21 V46 | D14-N18 WeakPolarHBondContact O-CB 3.06Å; D14-N18 VanDerWaalsContact O-CG 3.28Å; D14-N18 PolarHBondContact O-N 2.68Å; D14-N18 PolarHBondContact O-ND2 3.3Å; D14-N18 VanDerWaalsContact O-ND2 3.15Å; L16-N18 VanDerWaalsContact C-N 3.31Å; L16-N18 PolarHBondContact O-N 3.37Å; N18-N21 PolarHBondContact O-N 3.2Å; N18-V46 WeakPolarHBondContact OD1-CG1 3.44Å |
| 19 | E | 95.4 | Very high | 92.1 | Very high | 25 Ų | 25 | 32 Ų | 32 | 12% | 0.117 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.3 | -37 | 176.7 | -64.6 | -64.9 | 143.2 | 0 | 0 | 112.4 | G15 L16 I17 N21 K22 F25 P141 L144 N145 | G15-E19 WeakPolarHBondContact O-CG 3.4Å; G15-E19 PolarHBondContact O-N 2.82Å; L16-E19 PolarHBondContact O-N 2.96Å; I17-E19 VanDerWaalsContact C-N 3.33Å; I17-E19 PolarHBondContact O-N 3.43Å; E19-N21 PolarHBondContact O-N 3.14Å; E19-K22 WeakPolarHBondContact O-CB 3.4Å; E19-K22 PolarHBondContact O-N 3.26Å; E19-K22 WeakPolarHBondContact OE1-CE 3.49Å; E19-K22 IonicContact OE1-NZ 2.79Å; E19-K22 PolarHBondContact OE1-NZ 3.25Å; E19-K22 WeakPolarHBondContact OE2-CD 3.39Å; E19-K22 WeakPolarHBondContact OE2-CE 3.45Å; E19-K22 IonicContact OE2-NZ 3.31Å; E19-K22 PolarHBondContact OE2-NZ 2.69Å; E19-F25 VanDerWaalsContact O-CB 3.25Å; E19-F25 WeakPolarHBondContact O-CB 3.44Å; E19-P141 HydrophobicContact CG-CB 3.86Å; E19-P141 VanDerWaalsContact CG-O 3.27Å; E19-P141 WeakPolarHBondContact CG-O 3.3Å; E19-L144 HydrophobicContact CB-CD2 4.43Å; E19-N145 PolarHBondContact OE2-ND2 3.41Å |
| 20 | V | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.4 | -30.3 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 111.9 | V6 L16 I17 K22 F25 H26 L37 I39 | V6-V20 HydrophobicContact CG1-CG2 4.01Å; V6-V20 HydrophobicContact CG2-CG2 4.14Å; L16-V20 HydrophobicContact CD1-CG2 4.11Å; L16-V20 HydrophobicContact CG-CG2 4.46Å; L16-V20 VanDerWaalsContact O-CG2 3.29Å; L16-V20 WeakPolarHBondContact O-CG2 3.27Å; L16-V20 PolarHBondContact O-N 3.48Å; I17-V20 PolarHBondContact O-N 3.23Å; V20-K22 PolarHBondContact O-N 3.04Å; V20-F25 HydrophobicContact CB-CD1 4.3Å; V20-F25 HydrophobicContact CB-CE1 4.23Å; V20-F25 HydrophobicContact CG1-CD1 4.1Å; V20-F25 HydrophobicContact CG1-CE1 3.84Å; V20-F25 HydrophobicContact CG1-CZ 4.46Å; V20-F25 HydrophobicContact CG2-CE1 4.09Å; V20-F25 HydrophobicContact CG2-CE2 4.18Å; V20-F25 HydrophobicContact CG2-CZ 3.92Å; V20-F25 WeakPolarHBondContact O-CD1 3.35Å; V20-H26 PolarHBondContact O-NE2 3.08Å; V20-L37 HydrophobicContact CG1-CD2 4.31Å; V20-I39 HydrophobicContact CG1-CD1 3.63Å; V20-I39 HydrophobicContact CG1-CG1 4.29Å |
| 21 | N | 94.1 | Very high | 93 | Very high | 19 Ų | 19 | 30.7 Ų | 30.7 | 10% | 0.102 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -4.3 | 178.2 | -78.1 | -15 | 0 | 0 | 0 | 114.2 | I17 N18 E19 I47 P48 R49 | I17-N21 WeakPolarHBondContact O-CB 3.28Å; I17-N21 VanDerWaalsContact O-CG 3.31Å; I17-N21 PolarHBondContact O-N 3.39Å; N18-N21 PolarHBondContact O-N 3.2Å; E19-N21 PolarHBondContact O-N 3.14Å; N21-I47 PolarHBondContact ND2-O 3Å; N21-P48 VanDerWaalsContact OD1-CA 3.26Å; N21-P48 WeakPolarHBondContact OD1-CA 3.22Å; N21-R49 HydrophobicContact CB-CG 4.38Å; N21-R49 PolarHBondContact OD1-N 3.44Å |
| 22 | K | 91.7 | Very high | 93.6 | Very high | 83 Ų | 83 | 28.3 Ų | 28.3 | 36% | 0.361 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -81.3 | 143.5 | 179.5 | -71 | -175.2 | -173.6 | 171.1 | 0 | 111.5 | E19 V20 E24 F25 H26 | E19-K22 WeakPolarHBondContact O-CB 3.4Å; E19-K22 PolarHBondContact O-N 3.26Å; E19-K22 WeakPolarHBondContact OE1-CE 3.49Å; E19-K22 IonicContact OE1-NZ 2.79Å; E19-K22 PolarHBondContact OE1-NZ 3.25Å; E19-K22 WeakPolarHBondContact OE2-CD 3.39Å; E19-K22 WeakPolarHBondContact OE2-CE 3.45Å; E19-K22 IonicContact OE2-NZ 3.31Å; E19-K22 PolarHBondContact OE2-NZ 2.69Å; V20-K22 PolarHBondContact O-N 3.04Å; K22-E24 WeakPolarHBondContact CB-OE2 3.4Å; K22-E24 PolarHBondContact O-N 2.96Å; K22-F25 WeakPolarHBondContact O-CB 3.45Å; K22-F25 PolarHBondContact O-N 2.73Å; K22-F25 VanDerWaalsContact O-N 3.09Å; K22-H26 PolarHBondContact O-CD2 3.02Å; K22-H26 VanDerWaalsContact O-CD2 3.25Å |
| 23 | V | 89.9 | Confident | 93.9 | Very high | 27 Ų | 27 | 26.6 Ų | 26.6 | 16% | 0.164 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -52.7 | -45 | 174.5 | 176.9 | 0 | 0 | 0 | 0 | 110.2 | F25 H26 E27 I54 S58 | V23-F25 PolarHBondContact O-N 2.83Å; V23-F25 VanDerWaalsContact O-N 3.14Å; V23-H26 PolarHBondContact O-N 3.35Å; V23-E27 HydrophobicContact CG1-CG 3.91Å; V23-E27 WeakPolarHBondContact O-CG 3.43Å; V23-E27 PolarHBondContact O-N 3Å; V23-I54 HydrophobicContact CB-CG2 4.25Å; V23-I54 HydrophobicContact CG2-CG2 3.34Å; V23-S58 WeakPolarHBondContact CG2-OG 3.28Å |
| 24 | E | 91.1 | Very high | 94 | Very high | 97 Ų | 97 | 26.3 Ų | 26.3 | 45% | 0.453 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -57.1 | -32.8 | -177 | -62.9 | 83.4 | 171.7 | 0 | 0 | 112.2 | K22 G28 W149 | K22-E24 WeakPolarHBondContact CB-OE2 3.4Å; K22-E24 PolarHBondContact O-N 2.96Å; E24-G28 PolarHBondContact O-N 3.22Å; E24-W149 PolarHBondContact O-NE1 2.68Å |
| 25 | F | 94.3 | Very high | 94 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.7 | -46.6 | 176.7 | -178.9 | -95.2 | 0 | 0 | 0 | 111.5 | V6 E19 V20 K22 V23 G28 L29 L37 I90 L144 N145 L148 | V6-F25 HydrophobicContact CG2-CZ 3.94Å; E19-F25 VanDerWaalsContact O-CB 3.25Å; E19-F25 WeakPolarHBondContact O-CB 3.44Å; V20-F25 HydrophobicContact CB-CD1 4.3Å; V20-F25 HydrophobicContact CB-CE1 4.23Å; V20-F25 HydrophobicContact CG1-CD1 4.1Å; V20-F25 HydrophobicContact CG1-CE1 3.84Å; V20-F25 HydrophobicContact CG1-CZ 4.46Å; V20-F25 HydrophobicContact CG2-CE1 4.09Å; V20-F25 HydrophobicContact CG2-CE2 4.18Å; V20-F25 HydrophobicContact CG2-CZ 3.92Å; V20-F25 WeakPolarHBondContact O-CD1 3.35Å; K22-F25 WeakPolarHBondContact O-CB 3.45Å; K22-F25 PolarHBondContact O-N 2.73Å; K22-F25 VanDerWaalsContact O-N 3.09Å; V23-F25 PolarHBondContact O-N 2.83Å; V23-F25 VanDerWaalsContact O-N 3.14Å; F25-G28 PolarHBondContact O-N 3.39Å; F25-L29 HydrophobicContact CD1-CD1 4.16Å; F25-L29 HydrophobicContact CE1-CD1 3.43Å; F25-L29 VanDerWaalsContact CE1-CD1 3.43Å; F25-L29 HydrophobicContact CE1-CG 4.26Å; F25-L29 HydrophobicContact CE2-CD1 4.48Å; F25-L29 HydrophobicContact CZ-CD1 3.62Å; F25-L29 HydrophobicContact CZ-CG 4.27Å; F25-L29 PolarHBondContact O-N 2.8Å; F25-L37 HydrophobicContact CD1-CD2 4.44Å; F25-L37 HydrophobicContact CE1-CD1 4.24Å; F25-L37 HydrophobicContact CE1-CD2 3.82Å; F25-I90 HydrophobicContact CE2-CD1 3.87Å; F25-I90 HydrophobicContact CZ-CD1 3.79Å; F25-L144 HydrophobicContact CD2-CD2 4.16Å; F25-L144 HydrophobicContact CD2-CG 4.4Å; F25-L144 HydrophobicContact CE2-CD2 3.82Å; F25-L144 HydrophobicContact CE2-CG 4.23Å; F25-N145 WeakPolarHBondContact CA-OD1 3.26Å; F25-N145 VanDerWaalsContact CB-OD1 3.24Å; F25-N145 WeakPolarHBondContact CB-OD1 3.38Å; F25-N145 PolarHBondContact N-OD1 3.25Å; F25-L148 HydrophobicContact CD2-CD1 3.55Å; F25-L148 HydrophobicContact CE2-CD1 3.6Å; F25-L148 HydrophobicContact CG-CD1 4.46Å |
| 26 | H | 92.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.2 | -45.4 | 178.4 | -69.8 | -76.8 | 0 | 0 | 0 | 111.8 | V20 K22 V23 L29 S30 I54 F67 L68 I70 | V20-H26 PolarHBondContact O-NE2 3.08Å; K22-H26 PolarHBondContact O-CD2 3.02Å; K22-H26 VanDerWaalsContact O-CD2 3.25Å; V23-H26 PolarHBondContact O-N 3.35Å; H26-L29 PolarHBondContact O-N 3.46Å; H26-S30 VanDerWaalsContact O-CB 3.28Å; H26-S30 WeakPolarHBondContact O-CB 3.4Å; H26-S30 PolarHBondContact O-N 3.08Å; H26-I54 VanDerWaalsContact CD2-CD1 3.46Å; H26-I54 WeakPolarHBondContact CD2-CD1 3.33Å; H26-I54 WeakPolarHBondContact NE2-CD1 3.24Å; H26-F67 HydrophobicContact CB-CD1 4.24Å; H26-F67 HydrophobicContact CB-CE1 4.43Å; H26-L68 HydrophobicContact CB-CD1 4.48Å; H26-I70 WeakPolarHBondContact CE1-CD1 3.44Å |
| 27 | E | 91.6 | Very high | 94.2 | Very high | 33 Ų | 33 | 31.4 Ų | 31.4 | 15% | 0.154 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 175.4 | -67 | -167.7 | 128.7 | 0 | 0 | 111.9 | V23 L29 S30 R31 S63 W149 | V23-E27 HydrophobicContact CG1-CG 3.91Å; V23-E27 WeakPolarHBondContact O-CG 3.43Å; V23-E27 PolarHBondContact O-N 3Å; E27-L29 PolarHBondContact O-N 3.31Å; E27-S30 PolarHBondContact O-N 3.29Å; E27-R31 WeakPolarHBondContact O-CB 3.33Å; E27-R31 VanDerWaalsContact O-CG 3.3Å; E27-R31 WeakPolarHBondContact O-CG 3.47Å; E27-R31 PolarHBondContact O-N 2.79Å; E27-S63 WeakPolarHBondContact OE1-CB 3.28Å; E27-S63 PolarHBondContact OE1-OG 3.49Å; E27-W149 HydrophobicContact CB-CH2 4.49Å; E27-W149 HydrophobicContact CB-CZ2 3.75Å; E27-W149 WeakPolarHBondContact OE2-CZ2 3.27Å |
| 28 | G | 93.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.6 | -46.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | E24 F25 R31 L32 | E24-G28 PolarHBondContact O-N 3.22Å; F25-G28 PolarHBondContact O-N 3.39Å; G28-R31 VanDerWaalsContact O-CG 3.25Å; G28-R31 WeakPolarHBondContact O-CG 3.2Å; G28-L32 WeakPolarHBondContact O-CD1 3.28Å; G28-L32 WeakPolarHBondContact O-CG 3.48Å; G28-L32 PolarHBondContact O-N 3.48Å |
| 29 | L | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -70.3 | -41.5 | 175 | -72.2 | -177.1 | 0 | 0 | 0 | 112.7 | A4 F25 H26 E27 R31 L32 G33 Y34 L37 L68 L88 L148 | A4-L29 HydrophobicContact CB-CD1 3.85Å; A4-L29 HydrophobicContact CB-CD2 4.21Å; F25-L29 HydrophobicContact CD1-CD1 4.16Å; F25-L29 HydrophobicContact CE1-CD1 3.43Å; F25-L29 VanDerWaalsContact CE1-CD1 3.43Å; F25-L29 HydrophobicContact CE1-CG 4.26Å; F25-L29 HydrophobicContact CE2-CD1 4.48Å; F25-L29 HydrophobicContact CZ-CD1 3.62Å; F25-L29 HydrophobicContact CZ-CG 4.27Å; F25-L29 PolarHBondContact O-N 2.8Å; H26-L29 PolarHBondContact O-N 3.46Å; E27-L29 PolarHBondContact O-N 3.31Å; L29-R31 PolarHBondContact O-N 2.84Å; L29-L32 WeakPolarHBondContact O-CB 3.47Å; L29-L32 PolarHBondContact O-N 2.81Å; L29-L32 VanDerWaalsContact O-N 3.14Å; L29-G33 PolarHBondContact O-N 3.2Å; L29-Y34 HydrophobicContact CB-CD2 4.4Å; L29-Y34 HydrophobicContact CD2-CD2 3.93Å; L29-Y34 HydrophobicContact CD2-CE2 4.38Å; L29-Y34 HydrophobicContact CD2-CG 4.42Å; L29-Y34 WeakPolarHBondContact O-CB 3.23Å; L29-Y34 WeakPolarHBondContact O-CD2 3.46Å; L29-Y34 PolarHBondContact O-N 3.33Å; L29-Y34 VanDerWaalsContact O-N 3.07Å; L29-L37 HydrophobicContact CD1-CD1 4.02Å; L29-L68 HydrophobicContact CB-CD1 3.72Å; L29-L68 HydrophobicContact CB-CD2 4.34Å; L29-L68 HydrophobicContact CD1-CD1 3.69Å; L29-L68 HydrophobicContact CG-CD1 4.34Å; L29-L88 HydrophobicContact CD2-CD2 3.9Å; L29-L148 HydrophobicContact CD2-CD1 4.25Å; L29-L148 HydrophobicContact CD2-CD2 4.1Å; L29-L148 HydrophobicContact CG-CD1 4.32Å |
| 30 | S | 93.8 | Very high | 94.3 | Very high | 22 Ų | 22 | 27.1 Ų | 27.1 | 15% | 0.154 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | -179 | -169.8 | 0 | 0 | 0 | 0 | 111.3 | H26 E27 L32 G33 P66 | H26-S30 VanDerWaalsContact O-CB 3.28Å; H26-S30 WeakPolarHBondContact O-CB 3.4Å; H26-S30 PolarHBondContact O-N 3.08Å; E27-S30 PolarHBondContact O-N 3.29Å; S30-L32 PolarHBondContact O-N 2.98Å; S30-G33 PolarHBondContact O-N 3.17Å; S30-P66 PolarHBondContact OG-O 3.4Å |
| 31 | R | 93.2 | Very high | 94.3 | Very high | 67 Ų | 67 | 28.5 Ų | 28.5 | 25% | 0.253 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -66.1 | -24.5 | 176.8 | 73.9 | -171.6 | -61.6 | -132.5 | 0 | 113.3 | E27 G28 L29 G33 W149 L168 K172 | E27-R31 WeakPolarHBondContact O-CB 3.33Å; E27-R31 VanDerWaalsContact O-CG 3.3Å; E27-R31 WeakPolarHBondContact O-CG 3.47Å; E27-R31 PolarHBondContact O-N 2.79Å; G28-R31 VanDerWaalsContact O-CG 3.25Å; G28-R31 WeakPolarHBondContact O-CG 3.2Å; L29-R31 PolarHBondContact O-N 2.84Å; R31-G33 VanDerWaalsContact C-N 3.27Å; R31-W149 PolarHBondContact NH1-O 3.34Å; R31-L168 HydrophobicContact CG-CD1 4.34Å; R31-K172 WeakPolarHBondContact O-CE 3.26Å |
| 32 | L | 95.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.016 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -78.1 | -11.3 | 173.2 | -67.6 | 171 | 0 | 0 | 0 | 113 | G28 L29 S30 Y34 L148 I171 K172 L175 G176 P177 | G28-L32 WeakPolarHBondContact O-CD1 3.28Å; G28-L32 WeakPolarHBondContact O-CG 3.48Å; G28-L32 PolarHBondContact O-N 3.48Å; L29-L32 WeakPolarHBondContact O-CB 3.47Å; L29-L32 PolarHBondContact O-N 2.81Å; L29-L32 VanDerWaalsContact O-N 3.14Å; S30-L32 PolarHBondContact O-N 2.98Å; L32-Y34 HydrophobicContact CB-CD2 3.89Å; L32-Y34 HydrophobicContact CB-CE2 3.99Å; L32-L148 HydrophobicContact CD1-CB 4.49Å; L32-L148 HydrophobicContact CD1-CD2 4.02Å; L32-I171 HydrophobicContact CD2-CB 4.32Å; L32-I171 HydrophobicContact CD2-CG2 3.62Å; L32-K172 HydrophobicContact CD2-CG 4.41Å; L32-L175 HydrophobicContact CD1-CB 3.84Å; L32-L175 HydrophobicContact CD1-CD1 4.16Å; L32-L175 HydrophobicContact CD2-CB 4.07Å; L32-G176 WeakPolarHBondContact O-CA 3.25Å; L32-P177 VanDerWaalsContact O-CD 3.24Å; L32-P177 WeakPolarHBondContact O-CD 3.05Å |
| 33 | G | 95.2 | Very high | 94.3 | Very high | 23 Ų | 23 | 26.8 Ų | 26.8 | 24% | 0.237 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 104.4 | 7.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A2 L29 S30 R31 | A2-G33 WeakPolarHBondContact CB-O 3.49Å; L29-G33 PolarHBondContact O-N 3.2Å; S30-G33 PolarHBondContact O-N 3.17Å; R31-G33 VanDerWaalsContact C-N 3.27Å |
| 34 | Y | 96.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | trans | -78.1 | 144.8 | 174.4 | -65.9 | -83.7 | 0 | 0 | 0 | 111.2 | A4 L29 L32 L68 S87 L88 L175 P177 | A4-Y34 HydrophobicContact CB-CD1 3.9Å; A4-Y34 HydrophobicContact CB-CE1 4.29Å; A4-Y34 HydrophobicContact CB-CG 4.27Å; L29-Y34 HydrophobicContact CB-CD2 4.4Å; L29-Y34 HydrophobicContact CD2-CD2 3.93Å; L29-Y34 HydrophobicContact CD2-CE2 4.38Å; L29-Y34 HydrophobicContact CD2-CG 4.42Å; L29-Y34 WeakPolarHBondContact O-CB 3.23Å; L29-Y34 WeakPolarHBondContact O-CD2 3.46Å; L29-Y34 PolarHBondContact O-N 3.33Å; L29-Y34 VanDerWaalsContact O-N 3.07Å; L32-Y34 HydrophobicContact CB-CD2 3.89Å; L32-Y34 HydrophobicContact CB-CE2 3.99Å; Y34-L68 VanDerWaalsContact O-CD2 3.22Å; Y34-L68 WeakPolarHBondContact O-CD2 3.37Å; Y34-S87 VanDerWaalsContact CE1-OG 3.32Å; Y34-S87 WeakPolarHBondContact CE1-OG 3.38Å; Y34-L88 HydrophobicContact CE1-CB 3.77Å; Y34-L88 HydrophobicContact CE1-CD2 4.49Å; Y34-L88 HydrophobicContact CE2-CD2 3.97Å; Y34-L88 VanDerWaalsContact OH-CB 3.22Å; Y34-L88 WeakPolarHBondContact OH-CB 3.35Å; Y34-L175 WeakPolarHBondContact CE2-O 3.3Å; Y34-L175 PolarHBondContact OH-O 3.19Å; Y34-P177 HydrophobicContact CE1-CB 4.13Å; Y34-P177 HydrophobicContact CE1-CG 4.39Å | ||
| 35 | K | 93.8 | Very high | 94.5 | Very high | 136 Ų | 136 | 25.6 Ų | 25.6 | 59% | 0.591 | 14% | 0.142 | S | C | * | . | trans | -125.1 | -21.8 | 179.2 | -62 | -176.4 | -178.6 | -179.3 | 0 | 113.4 | A2 R69 | A2-K35 PolarHBondContact O-N 3.05Å; K35-R69 PolarHBondContact O-N 2.84Å | ||
| 36 | D | 96.1 | Very high | 94.6 | Very high | 38 Ų | 38 | 26.9 Ų | 26.9 | 20% | 0.203 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 134.2 | -179 | -60.9 | -83.5 | 0 | 0 | 0 | 109.1 | V3 A4 R69 | V3-D36 WeakPolarHBondContact CA-O 3.24Å; V3-D36 HydrophobicContact CB-CB 4.45Å; V3-D36 HydrophobicContact CG1-CB 4.16Å; V3-D36 HydrophobicContact CG2-CB 4.07Å; A4-D36 PolarHBondContact N-O 2.89Å; D36-R69 WeakPolarHBondContact CA-O 3.45Å; D36-R69 IonicContact OD1-CZ 3.79Å; D36-R69 VanDerWaalsContact OD1-CZ 3.23Å; D36-R69 IonicContact OD1-NE 2.92Å; D36-R69 PolarHBondContact OD1-NE 3.22Å; D36-R69 IonicContact OD1-NH2 2.76Å; D36-R69 PolarHBondContact OD1-NH2 3.24Å; D36-R69 IonicContact OD2-CZ 3.02Å; D36-R69 IonicContact OD2-NH2 3.23Å; D36-R69 PolarHBondContact OD2-NH2 3.45Å |
| 37 | L | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 124.9 | 176.2 | 176.1 | 60.7 | 0 | 0 | 0 | 108.9 | A4 V6 V20 F25 L29 I39 L68 R69 I70 K71 | A4-L37 HydrophobicContact CB-CD1 4.1Å; A4-L37 WeakPolarHBondContact O-CA 3.15Å; V6-L37 HydrophobicContact CG2-CD1 3.82Å; V20-L37 HydrophobicContact CG1-CD2 4.31Å; F25-L37 HydrophobicContact CD1-CD2 4.44Å; F25-L37 HydrophobicContact CE1-CD1 4.24Å; F25-L37 HydrophobicContact CE1-CD2 3.82Å; L29-L37 HydrophobicContact CD1-CD1 4.02Å; L37-I39 HydrophobicContact CD1-CG1 4.14Å; L37-I39 HydrophobicContact CD2-CD1 3.77Å; L37-I39 HydrophobicContact CD2-CG1 4.07Å; L37-I39 HydrophobicContact CG-CD1 3.98Å; L37-I39 HydrophobicContact CG-CG1 3.74Å; L37-L68 HydrophobicContact CB-CB 4.08Å; L37-L68 HydrophobicContact CB-CD1 3.85Å; L37-L68 HydrophobicContact CD2-CD1 3.97Å; L37-L68 HydrophobicContact CG-CD1 4.46Å; L37-R69 PolarHBondContact N-O 3.3Å; L37-I70 CarbonylContact O-C 3.54Å; L37-I70 WeakPolarHBondContact O-CA 3.48Å; L37-K71 PolarHBondContact O-N 3.44Å |
| 38 | I | 97.1 | Very high | 94.8 | Very high | 5 Ų | 5 | 30 Ų | 30 | 3% | 0.026 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 136.3 | 172.7 | -53.7 | 173.4 | 0 | 0 | 0 | 108.1 | V3 A4 F5 V6 K71 F73 E82 | V3-I38 HydrophobicContact CG1-CD1 3.83Å; V3-I38 HydrophobicContact CG1-CG1 4.02Å; A4-I38 PolarHBondContact O-N 3.36Å; F5-I38 CarbonylContact C-O 3.55Å; F5-I38 WeakPolarHBondContact CA-O 3.19Å; F5-I38 HydrophobicContact CD2-CB 3.84Å; F5-I38 HydrophobicContact CD2-CG2 3.83Å; F5-I38 WeakPolarHBondContact CD2-O 3.47Å; F5-I38 HydrophobicContact CE2-CG2 4.05Å; V6-I38 PolarHBondContact N-O 3.16Å; I38-K71 CarbonylContact C-O 3.52Å; I38-K71 VanDerWaalsContact CA-O 3.27Å; I38-K71 WeakPolarHBondContact CA-O 3.43Å; I38-F73 HydrophobicContact CG2-CD1 4.38Å; I38-F73 HydrophobicContact CG2-CE1 3.65Å; I38-E82 HydrophobicContact CD1-CG 4.27Å; I38-E82 HydrophobicContact CG2-CG 3.83Å |
| 39 | I | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 117.3 | -174.3 | -48.6 | 167.3 | 0 | 0 | 0 | 110.4 | V6 I17 V20 L37 P48 I70 K71 S72 F73 | V6-I39 HydrophobicContact CB-CG1 4.48Å; V6-I39 HydrophobicContact CB-CG2 4.26Å; V6-I39 HydrophobicContact CG1-CG2 4.38Å; V6-I39 CarbonylContact O-C 3.53Å; V6-I39 WeakPolarHBondContact O-CA 3.48Å; I17-I39 HydrophobicContact CD1-CG2 4.11Å; V20-I39 HydrophobicContact CG1-CD1 3.63Å; V20-I39 HydrophobicContact CG1-CG1 4.29Å; L37-I39 HydrophobicContact CD1-CG1 4.14Å; L37-I39 HydrophobicContact CD2-CD1 3.77Å; L37-I39 HydrophobicContact CD2-CG1 4.07Å; L37-I39 HydrophobicContact CG-CD1 3.98Å; L37-I39 HydrophobicContact CG-CG1 3.74Å; I39-P48 HydrophobicContact CB-CB 4.46Å; I39-P48 HydrophobicContact CB-CG 4.11Å; I39-P48 HydrophobicContact CD1-CB 3.68Å; I39-P48 HydrophobicContact CD1-CG 4.19Å; I39-P48 HydrophobicContact CG2-CB 4.31Å; I39-P48 HydrophobicContact CG2-CG 3.6Å; I39-I70 HydrophobicContact CD1-CG2 3.79Å; I39-K71 PolarHBondContact N-O 2.99Å; I39-S72 CarbonylContact O-C 3.56Å; I39-S72 VanDerWaalsContact O-CA 3.23Å; I39-S72 WeakPolarHBondContact O-CA 3.36Å; I39-F73 PolarHBondContact O-N 3.02Å |
| 40 | Q | 96.3 | Very high | 94.1 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 5% | 0.047 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 114.3 | 163.6 | -179.2 | -171.2 | 0.7 | 0 | 0 | 109.3 | F5 V6 T7 V8 G9 F73 R74 | F5-Q40 HydrophobicContact CE2-CB 4.08Å; F5-Q40 HydrophobicContact CZ-CB 4.28Å; V6-Q40 PolarHBondContact O-N 3.42Å; T7-Q40 PolarHBondContact OG1-OE1 3.45Å; V8-Q40 PolarHBondContact N-O 3.05Å; G9-Q40 PolarHBondContact O-NE2 3.4Å; Q40-F73 VanDerWaalsContact CA-O 3.3Å; Q40-F73 WeakPolarHBondContact CA-O 3.44Å; Q40-F73 HydrophobicContact CB-CD2 4.3Å; Q40-F73 HydrophobicContact CB-CE2 3.7Å; Q40-F73 HydrophobicContact CB-CZ 3.93Å; Q40-F73 HydrophobicContact CG-CD2 4.2Å; Q40-F73 HydrophobicContact CG-CE2 3.74Å; Q40-F73 HydrophobicContact CG-CZ 4.44Å; Q40-R74 WeakPolarHBondContact CG-O 3.32Å |
| 41 | Y | 95.3 | Very high | 93.2 | Very high | 29 Ų | 29 | 35.9 Ų | 35.9 | 11% | 0.114 | 20% | 0.195 | C | C | . | . | trans | -111.4 | 9.8 | -171.4 | 67 | -81.2 | 0 | 0 | 0 | 115.2 | I47 P48 F73 R74 | Y41-I47 HydrophobicContact CE2-CB 4.4Å; Y41-I47 HydrophobicContact CE2-CG1 4.06Å; Y41-I47 HydrophobicContact CE2-CG2 4.23Å; Y41-P48 HydrophobicContact CD1-CG 3.69Å; Y41-P48 HydrophobicContact CE1-CG 4.37Å; Y41-P48 HydrophobicContact CG-CG 3.79Å; Y41-F73 WeakPolarHBondContact CD1-O 3.48Å; Y41-F73 WeakPolarHBondContact CE1-O 3.28Å; Y41-F73 PolarHBondContact N-O 3.38Å; Y41-R74 HydrophobicContact CD1-CG 4.39Å; Y41-R74 HydrophobicContact CD2-CG 4.13Å; Y41-R74 HydrophobicContact CE1-CG 3.77Å; Y41-R74 HydrophobicContact CE2-CG 3.5Å; Y41-R74 WeakPolarHBondContact OH-CG 3.43Å | ||
| 42 | G | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.2 | -144.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R74 Y75 | G42-R74 PolarHBondContact O-NH1 2.9Å; G42-Y75 PolarHBondContact O-OH 2.85Å |
| 43 | S | 92.7 | Very high | 91.4 | Very high | 65 Ų | 65 | 42.2 Ų | 42.2 | 46% | 0.455 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 5.7 | -177.3 | 67.5 | 0 | 0 | 0 | 0 | 113.9 | T11 Y75 | T11-S43 PolarHBondContact O-N 3.07Å; S43-Y75 VanDerWaalsContact CA-OH 3.28Å; S43-Y75 WeakPolarHBondContact CA-OH 3.45Å; S43-Y75 VanDerWaalsContact CB-OH 3.27Å; S43-Y75 WeakPolarHBondContact CB-OH 3Å; S43-Y75 PolarHBondContact N-OH 2.75Å |
| 44 | G | 91.4 | Very high | 90.3 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 3% | 0.031 | 22% | 0.22 | C | C | . | . | trans | -61.5 | 161.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | S12 D14 R74 | S12-G44 WeakPolarHBondContact OG-CA 3.36Å; D14-G44 WeakPolarHBondContact OD1-CA 3.29Å; G44-R74 PolarHBondContact O-NH1 3.37Å; G44-R74 PolarHBondContact O-NH2 2.92Å | ||
| 45 | S | 93.8 | Very high | 88.9 | Confident | 96 Ų | 96 | 43 Ų | 43 | 67% | 0.671 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -82.1 | -28 | 177.2 | 71.3 | 0 | 0 | 0 | 0 | 111.9 | D14 | D14-S45 PolarHBondContact OD1-N 3.06Å; D14-S45 PolarHBondContact OD2-N 2.95Å; D14-S45 PolarHBondContact OD2-OG 2.64Å |
| 46 | V | 95 | Very high | 87.5 | Confident | 27 Ų | 27 | 41.8 Ų | 41.8 | 16% | 0.164 | 24% | 0.235 | C | C | . | . | trans | -79.9 | 131.1 | 179.5 | -177.6 | 0 | 0 | 0 | 0 | 109.8 | D14 I17 N18 | D14-V46 HydrophobicContact CB-CB 4.17Å; D14-V46 HydrophobicContact CB-CG2 3.61Å; D14-V46 PolarHBondContact OD1-N 3.32Å; I17-V46 HydrophobicContact CB-CB 4.28Å; I17-V46 HydrophobicContact CB-CG1 4.05Å; I17-V46 HydrophobicContact CG2-CB 4.21Å; I17-V46 HydrophobicContact CG2-CG1 3.66Å; N18-V46 WeakPolarHBondContact OD1-CG1 3.44Å | ||
| 47 | I | 94.4 | Very high | 85.9 | Confident | 92 Ų | 92 | 46.2 Ų | 46.2 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | trans | -106 | 140.2 | 179.8 | -58.4 | 175.4 | 0 | 0 | 0 | 109 | N21 Y41 R49 | N21-I47 PolarHBondContact ND2-O 3Å; Y41-I47 HydrophobicContact CE2-CB 4.4Å; Y41-I47 HydrophobicContact CE2-CG1 4.06Å; Y41-I47 HydrophobicContact CE2-CG2 4.23Å; I47-R49 PolarHBondContact O-N 3.16Å | ||
| 48 | P | 94.6 | Very high | 84.2 | Confident | 10 Ų | 10 | 48 Ų | 48 | 7% | 0.065 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 128.3 | 172.1 | -26.8 | 36.4 | 0 | 0 | 0 | 112.3 | I17 N21 I39 Y41 | I17-P48 HydrophobicContact CG2-CG 4.13Å; N21-P48 VanDerWaalsContact OD1-CA 3.26Å; N21-P48 WeakPolarHBondContact OD1-CA 3.22Å; I39-P48 HydrophobicContact CB-CB 4.46Å; I39-P48 HydrophobicContact CB-CG 4.11Å; I39-P48 HydrophobicContact CD1-CB 3.68Å; I39-P48 HydrophobicContact CD1-CG 4.19Å; I39-P48 HydrophobicContact CG2-CB 4.31Å; I39-P48 HydrophobicContact CG2-CG 3.6Å; Y41-P48 HydrophobicContact CD1-CG 3.69Å; Y41-P48 HydrophobicContact CE1-CG 4.37Å; Y41-P48 HydrophobicContact CG-CG 3.79Å |
| 49 | R | 91.5 | Very high | 82.1 | Confident | 67 Ų | 67 | 53.9 Ų | 53.9 | 25% | 0.253 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 148.6 | 177.5 | -67 | 176.8 | 73.9 | 160.1 | 11.4 | 110.6 | N21 I47 D53 I54 E57 I70 | N21-R49 HydrophobicContact CB-CG 4.38Å; N21-R49 PolarHBondContact OD1-N 3.44Å; I47-R49 PolarHBondContact O-N 3.16Å; R49-D53 HydrophobicContact CB-CB 4.21Å; R49-D53 PolarHBondContact NH2-O 3.4Å; R49-I54 HydrophobicContact CB-CD1 4.06Å; R49-I54 HydrophobicContact CB-CG1 3.69Å; R49-E57 IonicContact CZ-OE1 3.8Å; R49-E57 IonicContact CZ-OE2 2.78Å; R49-E57 IonicContact NH1-OE1 3.54Å; R49-E57 PolarHBondContact NH1-OE1 3.47Å; R49-E57 IonicContact NH1-OE2 2.75Å; R49-E57 PolarHBondContact NH1-OE2 3.2Å; R49-E57 IonicContact NH2-OE1 2.63Å; R49-E57 PolarHBondContact NH2-OE1 3.01Å; R49-E57 IonicContact NH2-OE2 3.48Å; R49-E57 PolarHBondContact NH2-OE2 3.18Å; R49-I70 WeakPolarHBondContact O-CD1 3.34Å |
| 50 | V | 83.4 | Confident | 80.1 | Confident | 62 Ų | 62 | 62.1 Ų | 62.1 | 38% | 0.376 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 158.3 | 170.4 | -65.5 | 0 | 0 | 0 | 0 | 110.4 | E52 D53 I54 | V50-E52 WeakPolarHBondContact CB-OE2 3.48Å; V50-E52 HydrophobicContact CG2-CB 4.38Å; V50-E52 WeakPolarHBondContact CG2-OE2 3.28Å; V50-E52 PolarHBondContact O-N 3Å; V50-E52 VanDerWaalsContact O-N 3.13Å; V50-D53 HydrophobicContact CG2-CB 4.38Å; V50-D53 VanDerWaalsContact CG2-OD2 3.32Å; V50-D53 WeakPolarHBondContact CG2-OD2 3.35Å; V50-D53 WeakPolarHBondContact O-CB 3.16Å; V50-D53 PolarHBondContact O-N 2.92Å; V50-I54 WeakPolarHBondContact O-CG1 3.33Å; V50-I54 PolarHBondContact O-N 3.18Å |
| 51 | P | 74.4 | Confident | 78 | Confident | 17 Ų | 17 | 69.5 Ų | 69.5 | 11% | 0.11 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -48.2 | -41.5 | 179.8 | -34.2 | 42.6 | 0 | 0 | 0 | 114.6 | D53 I54 C55 F67 L68 I70 | P51-D53 VanDerWaalsContact C-N 3.31Å; P51-D53 PolarHBondContact O-N 2.69Å; P51-I54 PolarHBondContact O-N 3.04Å; P51-I54 VanDerWaalsContact O-N 3.15Å; P51-C55 PolarHBondContact O-N 2.97Å; P51-C55 VanDerWaalsContact O-N 3.08Å; P51-C55 PolarHBondContact O-SG 3.34Å; P51-F67 HydrophobicContact CB-CB 3.51Å; P51-F67 HydrophobicContact CB-CD1 3.64Å; P51-F67 HydrophobicContact CB-CD2 4.29Å; P51-F67 HydrophobicContact CB-CE1 4.46Å; P51-F67 HydrophobicContact CB-CG 3.55Å; P51-F67 HydrophobicContact CG-CB 3.68Å; P51-F67 HydrophobicContact CG-CD1 4.18Å; P51-F67 HydrophobicContact CG-CG 4.17Å; P51-L68 WeakPolarHBondContact CG-O 3.28Å; P51-I70 HydrophobicContact CG-CD1 4.08Å; P51-I70 HydrophobicContact CG-CG1 4.35Å |
| 52 | E | 74.5 | Confident | 76 | Confident | 130 Ų | 130 | 75 Ų | 75 | 61% | 0.607 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.2 | -42 | -178.4 | -62.4 | 77.9 | -170.1 | 0 | 0 | 111.4 | V50 I54 | V50-E52 WeakPolarHBondContact CB-OE2 3.48Å; V50-E52 HydrophobicContact CG2-CB 4.38Å; V50-E52 WeakPolarHBondContact CG2-OE2 3.28Å; V50-E52 PolarHBondContact O-N 3Å; V50-E52 VanDerWaalsContact O-N 3.13Å; E52-I54 VanDerWaalsContact C-N 3.32Å; E52-I54 PolarHBondContact O-N 2.71Å |
| 53 | D | 75.7 | Confident | 74.4 | Confident | 74 Ų | 74 | 76.9 Ų | 76.9 | 40% | 0.396 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.8 | -35.5 | 178.6 | -60 | -24.9 | 0 | 0 | 0 | 111.3 | R49 V50 P51 T56 | R49-D53 HydrophobicContact CB-CB 4.21Å; R49-D53 PolarHBondContact NH2-O 3.4Å; V50-D53 HydrophobicContact CG2-CB 4.38Å; V50-D53 VanDerWaalsContact CG2-OD2 3.32Å; V50-D53 WeakPolarHBondContact CG2-OD2 3.35Å; V50-D53 WeakPolarHBondContact O-CB 3.16Å; V50-D53 PolarHBondContact O-N 2.92Å; P51-D53 VanDerWaalsContact C-N 3.31Å; P51-D53 PolarHBondContact O-N 2.69Å; D53-T56 PolarHBondContact O-OG1 2.84Å |
| 54 | I | 72.2 | Confident | 73.2 | Confident | 6 Ų | 6 | 80.7 Ų | 80.7 | 3% | 0.031 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -73.3 | -40.1 | -175.1 | -61.4 | 172.6 | 0 | 0 | 0 | 110.4 | V23 H26 R49 V50 P51 E52 T56 S58 F67 | V23-I54 HydrophobicContact CB-CG2 4.25Å; V23-I54 HydrophobicContact CG2-CG2 3.34Å; H26-I54 VanDerWaalsContact CD2-CD1 3.46Å; H26-I54 WeakPolarHBondContact CD2-CD1 3.33Å; H26-I54 WeakPolarHBondContact NE2-CD1 3.24Å; R49-I54 HydrophobicContact CB-CD1 4.06Å; R49-I54 HydrophobicContact CB-CG1 3.69Å; V50-I54 WeakPolarHBondContact O-CG1 3.33Å; V50-I54 PolarHBondContact O-N 3.18Å; P51-I54 PolarHBondContact O-N 3.04Å; P51-I54 VanDerWaalsContact O-N 3.15Å; E52-I54 VanDerWaalsContact C-N 3.32Å; E52-I54 PolarHBondContact O-N 2.71Å; I54-T56 VanDerWaalsContact C-N 3.35Å; I54-T56 PolarHBondContact O-N 3.28Å; I54-S58 PolarHBondContact O-OG 3.05Å; I54-F67 HydrophobicContact CG2-CE1 4.49Å |
| 55 | C | 68.1 | Low | 72.1 | Confident | 34 Ų | 34 | 82.5 Ų | 82.5 | 23% | 0.23 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -63.8 | -35.4 | 178.7 | -73.5 | 0 | 0 | 0 | 0 | 113.9 | P51 E57 S58 F67 | P51-C55 PolarHBondContact O-N 2.97Å; P51-C55 VanDerWaalsContact O-N 3.08Å; P51-C55 PolarHBondContact O-SG 3.34Å; C55-E57 PolarHBondContact O-N 2.64Å; C55-E57 VanDerWaalsContact O-N 3.14Å; C55-S58 PolarHBondContact O-N 2.91Å; C55-S58 PolarHBondContact O-OG 3.02Å; C55-F67 WeakPolarHBondContact SG-CE2 3.42Å; C55-F67 WeakPolarHBondContact SG-CZ 3.36Å |
| 56 | T | 63.8 | Low | 71.2 | Confident | 111 Ų | 111 | 82.6 Ų | 82.6 | 68% | 0.681 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -19.4 | -172.3 | 45.8 | 0 | 0 | 0 | 0 | 114 | D53 I54 | D53-T56 PolarHBondContact O-OG1 2.84Å; I54-T56 VanDerWaalsContact C-N 3.35Å; I54-T56 PolarHBondContact O-N 3.28Å |
| 57 | E | 62.8 | Low | 70.4 | Confident | 131 Ų | 131 | 84.5 Ų | 84.5 | 61% | 0.612 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -21.9 | -179.3 | -70.5 | 174.2 | -167.1 | 0 | 0 | 113.1 | R49 C55 T59 | R49-E57 IonicContact CZ-OE1 3.8Å; R49-E57 IonicContact CZ-OE2 2.78Å; R49-E57 IonicContact NH1-OE1 3.54Å; R49-E57 PolarHBondContact NH1-OE1 3.47Å; R49-E57 IonicContact NH1-OE2 2.75Å; R49-E57 PolarHBondContact NH1-OE2 3.2Å; R49-E57 IonicContact NH2-OE1 2.63Å; R49-E57 PolarHBondContact NH2-OE1 3.01Å; R49-E57 IonicContact NH2-OE2 3.48Å; R49-E57 PolarHBondContact NH2-OE2 3.18Å; C55-E57 PolarHBondContact O-N 2.64Å; C55-E57 VanDerWaalsContact O-N 3.14Å; E57-T59 VanDerWaalsContact C-N 3.31Å; E57-T59 PolarHBondContact O-N 3.48Å; E57-T59 VanDerWaalsContact O-N 3.14Å |
| 58 | S | 60.9 | Low | 70.2 | Confident | 38 Ų | 38 | 80.2 Ų | 80.2 | 27% | 0.266 | 43% | 0.434 | S | S | . | . | trans | -92.6 | 65 | -176.9 | 34.8 | 0 | 0 | 0 | 0 | 110.5 | V23 I54 C55 E60 | V23-S58 WeakPolarHBondContact CG2-OG 3.28Å; I54-S58 PolarHBondContact O-OG 3.05Å; C55-S58 PolarHBondContact O-N 2.91Å; C55-S58 PolarHBondContact O-OG 3.02Å; S58-E60 PolarHBondContact O-N 2.93Å; S58-E60 VanDerWaalsContact O-N 3.11Å | ||
| 59 | T | 53.5 | Low | 70.1 | Confident | 129 Ų | 129 | 86.9 Ų | 86.9 | 79% | 0.791 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -17.8 | -174.8 | -23.6 | 0 | 0 | 0 | 0 | 114.5 | E57 | E57-T59 VanDerWaalsContact C-N 3.31Å; E57-T59 PolarHBondContact O-N 3.48Å; E57-T59 VanDerWaalsContact O-N 3.14Å |
| 60 | E | 54.5 | Low | 70.3 | Confident | 173 Ų | 173 | 85.3 Ų | 85.3 | 81% | 0.808 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -27.5 | -167.5 | -64.3 | -138.7 | 139.6 | 0 | 0 | 115.2 | S58 | S58-E60 PolarHBondContact O-N 2.93Å; S58-E60 VanDerWaalsContact O-N 3.11Å |
| 61 | H | 51.6 | Low | 70.9 | Confident | 165 Ų | 165 | 88.9 Ų | 88.9 | 76% | 0.764 | 47% | 0.465 | S | S | * | . | trans | -144.9 | 87.6 | 179.7 | -69.4 | -31.7 | 0 | 0 | 0 | 110.7 | S63 | H61-S63 PolarHBondContact O-N 3.37Š| ||
| 62 | L | 53.5 | Low | 71.9 | Confident | 145 Ų | 145 | 90.8 Ų | 90.8 | 76% | 0.759 | 48% | 0.478 | S | S | * | . | trans | -64.4 | 86.4 | 164.1 | -84.1 | 160.3 | 0 | 0 | 0 | 108.4 | T64 | L62-T64 PolarHBondContact O-N 3.5Š| ||
| 63 | S | 60.3 | Low | 72.9 | Confident | 40 Ų | 40 | 85.9 Ų | 85.9 | 28% | 0.28 | 46% | 0.455 | S | S | . | . | trans | -54.6 | 134.3 | 171.3 | -176.2 | 0 | 0 | 0 | 0 | 109.9 | E27 H61 T65 | E27-S63 WeakPolarHBondContact OE1-CB 3.28Å; E27-S63 PolarHBondContact OE1-OG 3.49Å; H61-S63 PolarHBondContact O-N 3.37Å; S63-T65 PolarHBondContact O-N 2.98Å; S63-T65 VanDerWaalsContact O-N 3.14Å; S63-T65 PolarHBondContact OG-N 2.97Å; S63-T65 PolarHBondContact OG-OG1 3.21Å | ||
| 64 | T | 67.4 | Low | 73.9 | Confident | 144 Ų | 144 | 86 Ų | 86 | 88% | 0.883 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -71.8 | -0.7 | 175.6 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | L62 | L62-T64 PolarHBondContact O-N 3.5Š|
| 65 | T | 68.7 | Low | 74.9 | Confident | 42 Ų | 42 | 91.7 Ų | 91.7 | 26% | 0.258 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -69.7 | 127.7 | 179.6 | 55.6 | 0 | 0 | 0 | 0 | 110.3 | S63 F67 | S63-T65 PolarHBondContact O-N 2.98Å; S63-T65 VanDerWaalsContact O-N 3.14Å; S63-T65 PolarHBondContact OG-N 2.97Å; S63-T65 PolarHBondContact OG-OG1 3.21Å; T65-F67 PolarHBondContact O-N 3.37Å |
| 66 | P | 74.4 | Confident | 76 | Confident | 98 Ų | 98 | 94.9 Ų | 94.9 | 64% | 0.636 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 133.5 | 177.7 | 25.6 | -31.9 | 0 | 0 | 0 | 109.4 | S30 | S30-P66 PolarHBondContact OG-O 3.4Š|
| 67 | F | 78.1 | Confident | 77.2 | Confident | 66 Ų | 66 | 98.2 Ų | 98.2 | 29% | 0.289 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 152 | 173.7 | -78.2 | -90.5 | 0 | 0 | 0 | 111.9 | H26 P51 I54 C55 T65 | H26-F67 HydrophobicContact CB-CD1 4.24Å; H26-F67 HydrophobicContact CB-CE1 4.43Å; P51-F67 HydrophobicContact CB-CB 3.51Å; P51-F67 HydrophobicContact CB-CD1 3.64Å; P51-F67 HydrophobicContact CB-CD2 4.29Å; P51-F67 HydrophobicContact CB-CE1 4.46Å; P51-F67 HydrophobicContact CB-CG 3.55Å; P51-F67 HydrophobicContact CG-CB 3.68Å; P51-F67 HydrophobicContact CG-CD1 4.18Å; P51-F67 HydrophobicContact CG-CG 4.17Å; I54-F67 HydrophobicContact CG2-CE1 4.49Å; C55-F67 WeakPolarHBondContact SG-CE2 3.42Å; C55-F67 WeakPolarHBondContact SG-CZ 3.36Å; T65-F67 PolarHBondContact O-N 3.37Å |
| 68 | L | 90.7 | Very high | 78.5 | Confident | 3 Ų | 3 | 95.1 Ų | 95.1 | 2% | 0.016 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 145.1 | 176.1 | -56.1 | 172.5 | 0 | 0 | 0 | 109.9 | H26 L29 Y34 L37 P51 I70 | H26-L68 HydrophobicContact CB-CD1 4.48Å; L29-L68 HydrophobicContact CB-CD1 3.72Å; L29-L68 HydrophobicContact CB-CD2 4.34Å; L29-L68 HydrophobicContact CD1-CD1 3.69Å; L29-L68 HydrophobicContact CG-CD1 4.34Å; Y34-L68 VanDerWaalsContact O-CD2 3.22Å; Y34-L68 WeakPolarHBondContact O-CD2 3.37Å; L37-L68 HydrophobicContact CB-CB 4.08Å; L37-L68 HydrophobicContact CB-CD1 3.85Å; L37-L68 HydrophobicContact CD2-CD1 3.97Å; L37-L68 HydrophobicContact CG-CD1 4.46Å; P51-L68 WeakPolarHBondContact CG-O 3.28Å; L68-I70 WeakPolarHBondContact O-CG1 3.43Å; L68-I70 PolarHBondContact O-N 3.28Å |
| 69 | R | 93.2 | Very high | 80.1 | Confident | 149 Ų | 149 | 94.5 Ų | 94.5 | 56% | 0.562 | 48% | 0.482 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 116.5 | 164.3 | -70.8 | -175.4 | -61.6 | -85.4 | -2.5 | 109 | K35 D36 L37 | K35-R69 PolarHBondContact O-N 2.84Å; D36-R69 WeakPolarHBondContact CA-O 3.45Å; D36-R69 IonicContact OD1-CZ 3.79Å; D36-R69 VanDerWaalsContact OD1-CZ 3.23Å; D36-R69 IonicContact OD1-NE 2.92Å; D36-R69 PolarHBondContact OD1-NE 3.22Å; D36-R69 IonicContact OD1-NH2 2.76Å; D36-R69 PolarHBondContact OD1-NH2 3.24Å; D36-R69 IonicContact OD2-CZ 3.02Å; D36-R69 IonicContact OD2-NH2 3.23Å; D36-R69 PolarHBondContact OD2-NH2 3.45Å; L37-R69 PolarHBondContact N-O 3.3Å |
| 70 | I | 94.8 | Very high | 81.9 | Confident | 34 Ų | 34 | 91.7 Ų | 91.7 | 17% | 0.174 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 137.2 | -174.8 | -53.6 | -177.2 | 0 | 0 | 0 | 110.6 | H26 L37 I39 R49 P51 L68 | H26-I70 WeakPolarHBondContact CE1-CD1 3.44Å; L37-I70 CarbonylContact O-C 3.54Å; L37-I70 WeakPolarHBondContact O-CA 3.48Å; I39-I70 HydrophobicContact CD1-CG2 3.79Å; R49-I70 WeakPolarHBondContact O-CD1 3.34Å; P51-I70 HydrophobicContact CG-CD1 4.08Å; P51-I70 HydrophobicContact CG-CG1 4.35Å; L68-I70 WeakPolarHBondContact O-CG1 3.43Å; L68-I70 PolarHBondContact O-N 3.28Å |
| 71 | K | 95.7 | Very high | 83.7 | Confident | 138 Ų | 138 | 88.3 Ų | 88.3 | 60% | 0.6 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 126.4 | 161.1 | -67.2 | -173.7 | 178.3 | -172 | 0 | 108.8 | L37 I38 I39 | L37-K71 PolarHBondContact O-N 3.44Å; I38-K71 CarbonylContact C-O 3.52Å; I38-K71 VanDerWaalsContact CA-O 3.27Å; I38-K71 WeakPolarHBondContact CA-O 3.43Å; I39-K71 PolarHBondContact N-O 2.99Å |
| 72 | S | 95.9 | Very high | 85.8 | Confident | 56 Ų | 56 | 80.9 Ų | 80.9 | 39% | 0.392 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148.8 | 178.5 | 57 | 0 | 0 | 0 | 0 | 111.8 | I39 | I39-S72 CarbonylContact O-C 3.56Å; I39-S72 VanDerWaalsContact O-CA 3.23Å; I39-S72 WeakPolarHBondContact O-CA 3.36Å |
| 73 | F | 96.3 | Very high | 87.7 | Confident | 28 Ų | 28 | 74.3 Ų | 74.3 | 12% | 0.123 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 155 | 174 | 59.2 | -92 | 0 | 0 | 0 | 110.4 | F5 I38 I39 Q40 Y41 K76 L79 E82 | F5-F73 HydrophobicContact CE2-CZ 4.14Å; F5-F73 HydrophobicContact CZ-CZ 4.35Å; I38-F73 HydrophobicContact CG2-CD1 4.38Å; I38-F73 HydrophobicContact CG2-CE1 3.65Å; I39-F73 PolarHBondContact O-N 3.02Å; Q40-F73 VanDerWaalsContact CA-O 3.3Å; Q40-F73 WeakPolarHBondContact CA-O 3.44Å; Q40-F73 HydrophobicContact CB-CD2 4.3Å; Q40-F73 HydrophobicContact CB-CE2 3.7Å; Q40-F73 HydrophobicContact CB-CZ 3.93Å; Q40-F73 HydrophobicContact CG-CD2 4.2Å; Q40-F73 HydrophobicContact CG-CE2 3.74Å; Q40-F73 HydrophobicContact CG-CZ 4.44Å; Y41-F73 WeakPolarHBondContact CD1-O 3.48Å; Y41-F73 WeakPolarHBondContact CE1-O 3.28Å; Y41-F73 PolarHBondContact N-O 3.38Å; F73-K76 HydrophobicContact CD1-CD 4.38Å; F73-K76 HydrophobicContact CD2-CB 4.5Å; F73-K76 HydrophobicContact CD2-CD 4.11Å; F73-K76 HydrophobicContact CD2-CG 3.71Å; F73-K76 HydrophobicContact CE1-CD 4.15Å; F73-K76 HydrophobicContact CE2-CB 4.26Å; F73-K76 HydrophobicContact CE2-CD 3.88Å; F73-K76 HydrophobicContact CE2-CG 3.77Å; F73-K76 HydrophobicContact CG-CD 4.36Å; F73-K76 HydrophobicContact CG-CG 4.21Å; F73-K76 HydrophobicContact CZ-CD 3.9Å; F73-K76 HydrophobicContact CZ-CG 4.32Å; F73-L79 HydrophobicContact CE2-CD2 3.64Å; F73-L79 HydrophobicContact CZ-CD2 3.75Å; F73-E82 HydrophobicContact CE1-CG 3.94Å; F73-E82 HydrophobicContact CZ-CG 3.97Å |
| 74 | R | 94.8 | Very high | 89.2 | Confident | 77 Ų | 77 | 77.1 Ų | 77.1 | 29% | 0.291 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -80.6 | -53.5 | 173 | -69.5 | -168.4 | 173.9 | -92.2 | 5.1 | 111.6 | Q40 Y41 G42 G44 | Q40-R74 WeakPolarHBondContact CG-O 3.32Å; Y41-R74 HydrophobicContact CD1-CG 4.39Å; Y41-R74 HydrophobicContact CD2-CG 4.13Å; Y41-R74 HydrophobicContact CE1-CG 3.77Å; Y41-R74 HydrophobicContact CE2-CG 3.5Å; Y41-R74 WeakPolarHBondContact OH-CG 3.43Å; G42-R74 PolarHBondContact O-NH1 2.9Å; G44-R74 PolarHBondContact O-NH1 3.37Å; G44-R74 PolarHBondContact O-NH2 2.92Å |
| 75 | Y | 93.3 | Very high | 90.4 | Very high | 124 Ų | 124 | 75.1 Ų | 75.1 | 49% | 0.486 | 37% | 0.367 | S | S | . | . | trans | -140.4 | 151.5 | -172.4 | -49 | -67.2 | 0 | 0 | 0 | 111.2 | G42 S43 | G42-Y75 PolarHBondContact O-OH 2.85Å; S43-Y75 VanDerWaalsContact CA-OH 3.28Å; S43-Y75 WeakPolarHBondContact CA-OH 3.45Å; S43-Y75 VanDerWaalsContact CB-OH 3.27Å; S43-Y75 WeakPolarHBondContact CB-OH 3Å; S43-Y75 PolarHBondContact N-OH 2.75Å | ||
| 76 | K | 92.3 | Very high | 91.7 | Very high | 102 Ų | 102 | 73.2 Ų | 73.2 | 44% | 0.443 | 36% | 0.356 | S | S | . | . | trans | -144.5 | 153 | 169.1 | -74.8 | -173.1 | 174.4 | -164.9 | 0 | 108.5 | F73 S78 L79 E82 | F73-K76 HydrophobicContact CD1-CD 4.38Å; F73-K76 HydrophobicContact CD2-CB 4.5Å; F73-K76 HydrophobicContact CD2-CD 4.11Å; F73-K76 HydrophobicContact CD2-CG 3.71Å; F73-K76 HydrophobicContact CE1-CD 4.15Å; F73-K76 HydrophobicContact CE2-CB 4.26Å; F73-K76 HydrophobicContact CE2-CD 3.88Å; F73-K76 HydrophobicContact CE2-CG 3.77Å; F73-K76 HydrophobicContact CG-CD 4.36Å; F73-K76 HydrophobicContact CG-CG 4.21Å; F73-K76 HydrophobicContact CZ-CD 3.9Å; F73-K76 HydrophobicContact CZ-CG 4.32Å; K76-S78 WeakPolarHBondContact CB-O 3.27Å; K76-S78 PolarHBondContact O-N 3.14Å; K76-L79 HydrophobicContact CB-CD2 4.26Å; K76-E82 IonicContact NZ-OE1 3.37Å; K76-E82 PolarHBondContact NZ-OE1 2.78Å; K76-E82 IonicContact NZ-OE2 2.64Å | ||
| 77 | D | 89.1 | Confident | 92.7 | Very high | 181 Ų | 181 | 69.1 Ų | 69.1 | 97% | 0.968 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -64.6 | -29 | 175.7 | -57.9 | -31.7 | 0 | 0 | 0 | 112.1 | ||
| 78 | S | 90.8 | Very high | 93.6 | Very high | 65 Ų | 65 | 66 Ų | 66 | 46% | 0.455 | 32% | 0.316 | S | S | . | . | trans | -144.4 | 142 | 177.7 | 179.2 | 0 | 0 | 0 | 0 | 110.7 | K76 V80 | K76-S78 WeakPolarHBondContact CB-O 3.27Å; K76-S78 PolarHBondContact O-N 3.14Å; S78-V80 WeakPolarHBondContact OG-CB 3.27Å; S78-V80 VanDerWaalsContact OG-CG2 3.28Å; S78-V80 WeakPolarHBondContact OG-CG2 3.36Å; S78-V80 PolarHBondContact OG-N 2.91Å | ||
| 79 | L | 92.6 | Very high | 93.9 | Very high | 26 Ų | 26 | 65.9 Ų | 65.9 | 14% | 0.136 | 32% | 0.315 | C | S | . | . | trans | -105.2 | 5.7 | 174.4 | -57.7 | 177.5 | 0 | 0 | 0 | 112.3 | F5 F73 K76 D81 E82 F83 | F5-L79 HydrophobicContact CZ-CD2 4.43Å; F73-L79 HydrophobicContact CE2-CD2 3.64Å; F73-L79 HydrophobicContact CZ-CD2 3.75Å; K76-L79 HydrophobicContact CB-CD2 4.26Å; L79-D81 VanDerWaalsContact C-N 3.26Å; L79-D81 PolarHBondContact O-N 3.07Å; L79-E82 PolarHBondContact O-N 2.92Å; L79-F83 HydrophobicContact CB-CD2 3.83Å; L79-F83 HydrophobicContact CB-CE2 3.79Å; L79-F83 HydrophobicContact CD1-CE2 4.22Å; L79-F83 WeakPolarHBondContact O-CD2 3.45Å; L79-F83 PolarHBondContact O-N 3.27Å | ||
| 80 | V | 91.8 | Very high | 94.1 | Very high | 69 Ų | 69 | 58.8 Ų | 58.8 | 42% | 0.418 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -55.9 | -42.5 | -173.5 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | S78 F83 Q84 | S78-V80 WeakPolarHBondContact OG-CB 3.27Å; S78-V80 VanDerWaalsContact OG-CG2 3.28Å; S78-V80 WeakPolarHBondContact OG-CG2 3.36Å; S78-V80 PolarHBondContact OG-N 2.91Å; V80-F83 PolarHBondContact O-N 3.2Å; V80-Q84 HydrophobicContact CG1-CG 4.29Å; V80-Q84 WeakPolarHBondContact O-CB 3.46Å; V80-Q84 VanDerWaalsContact O-CG 3.29Å; V80-Q84 WeakPolarHBondContact O-CG 3.45Å; V80-Q84 PolarHBondContact O-N 3.2Å |
| 81 | D | 93.3 | Very high | 94.1 | Very high | 102 Ų | 102 | 57.1 Ų | 57.1 | 55% | 0.545 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | -179 | -68 | -17.9 | 0 | 0 | 0 | 112.1 | L79 Q84 R85 | L79-D81 VanDerWaalsContact C-N 3.26Å; L79-D81 PolarHBondContact O-N 3.07Å; D81-Q84 PolarHBondContact O-N 2.76Å; D81-R85 WeakPolarHBondContact O-CB 3.43Å; D81-R85 VanDerWaalsContact O-CG 3.24Å; D81-R85 WeakPolarHBondContact O-CG 3.24Å; D81-R85 PolarHBondContact O-N 3.27Å |
| 82 | E | 95.2 | Very high | 93.8 | Very high | 10 Ų | 10 | 51.3 Ų | 51.3 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 174.8 | -77.3 | 68 | -145.3 | 0 | 0 | 111.2 | F5 I38 F73 K76 L79 Q84 R85 A86 | F5-E82 HydrophobicContact CD1-CB 3.94Å; F5-E82 HydrophobicContact CD2-CB 4.23Å; F5-E82 HydrophobicContact CD2-CG 4.43Å; F5-E82 HydrophobicContact CE1-CB 3.74Å; F5-E82 HydrophobicContact CE2-CB 4.06Å; F5-E82 HydrophobicContact CE2-CG 4.1Å; F5-E82 HydrophobicContact CG-CB 4.19Å; F5-E82 HydrophobicContact CZ-CB 3.8Å; F5-E82 HydrophobicContact CZ-CG 4.19Å; I38-E82 HydrophobicContact CD1-CG 4.27Å; I38-E82 HydrophobicContact CG2-CG 3.83Å; F73-E82 HydrophobicContact CE1-CG 3.94Å; F73-E82 HydrophobicContact CZ-CG 3.97Å; K76-E82 IonicContact NZ-OE1 3.37Å; K76-E82 PolarHBondContact NZ-OE1 2.78Å; K76-E82 IonicContact NZ-OE2 2.64Å; L79-E82 PolarHBondContact O-N 2.92Å; E82-Q84 PolarHBondContact O-N 3.07Å; E82-R85 PolarHBondContact O-N 2.91Å; E82-A86 WeakPolarHBondContact O-CB 3.43Å; E82-A86 PolarHBondContact O-N 3.41Å |
| 83 | F | 93.1 | Very high | 93.2 | Very high | 6 Ų | 6 | 48.7 Ų | 48.7 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.3 | -43.8 | 174.9 | -80.3 | -69.8 | 0 | 0 | 0 | 111.7 | F5 L79 V80 R85 A86 V89 T97 Q100 A101 R108 | F5-F83 HydrophobicContact CD1-CD1 4.43Å; F5-F83 HydrophobicContact CD1-CE1 4.37Å; F5-F83 HydrophobicContact CE1-CD2 4.32Å; F5-F83 HydrophobicContact CE1-CE1 4.32Å; F5-F83 HydrophobicContact CE1-CE2 4.04Å; F5-F83 HydrophobicContact CE1-CZ 4.06Å; L79-F83 HydrophobicContact CB-CD2 3.83Å; L79-F83 HydrophobicContact CB-CE2 3.79Å; L79-F83 HydrophobicContact CD1-CE2 4.22Å; L79-F83 WeakPolarHBondContact O-CD2 3.45Å; L79-F83 PolarHBondContact O-N 3.27Å; V80-F83 PolarHBondContact O-N 3.2Å; F83-R85 VanDerWaalsContact C-N 3.29Å; F83-R85 PolarHBondContact O-N 2.98Å; F83-A86 PolarHBondContact O-N 2.92Å; F83-V89 HydrophobicContact CD1-CG2 3.99Å; F83-V89 HydrophobicContact CE1-CG1 4.02Å; F83-V89 HydrophobicContact CE1-CG2 4.02Å; F83-T97 HydrophobicContact CZ-CG2 3.81Å; F83-Q100 HydrophobicContact CD1-CB 4.28Å; F83-Q100 HydrophobicContact CD2-CB 3.94Å; F83-Q100 HydrophobicContact CE1-CB 4.02Å; F83-Q100 HydrophobicContact CE2-CB 3.69Å; F83-Q100 HydrophobicContact CE2-CG 4.47Å; F83-Q100 HydrophobicContact CG-CB 4.24Å; F83-Q100 HydrophobicContact CZ-CB 3.71Å; F83-A101 HydrophobicContact CD1-CB 4.4Å; F83-A101 HydrophobicContact CE1-CB 3.8Å; F83-R108 WeakPolarHBondContact O-CD 3.44Å; F83-R108 PolarHBondContact O-NE 3.41Å |
| 84 | Q | 91.8 | Very high | 92.6 | Very high | 100 Ų | 100 | 48.1 Ų | 48.1 | 47% | 0.467 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62 | -38.2 | 179.2 | -78.4 | -175.5 | 6.4 | 0 | 0 | 111.9 | V80 D81 E82 R107 | V80-Q84 HydrophobicContact CG1-CG 4.29Å; V80-Q84 WeakPolarHBondContact O-CB 3.46Å; V80-Q84 VanDerWaalsContact O-CG 3.29Å; V80-Q84 WeakPolarHBondContact O-CG 3.45Å; V80-Q84 PolarHBondContact O-N 3.2Å; D81-Q84 PolarHBondContact O-N 2.76Å; E82-Q84 PolarHBondContact O-N 3.07Å; Q84-R107 VanDerWaalsContact O-CZ 3.3Å; Q84-R107 PolarHBondContact O-NE 2.97Å; Q84-R107 VanDerWaalsContact O-NE 3.16Å; Q84-R107 PolarHBondContact O-NH2 3.3Å |
| 85 | R | 93.2 | Very high | 91.9 | Very high | 101 Ų | 101 | 46.8 Ų | 46.8 | 38% | 0.381 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -77.5 | -30.1 | -178.1 | -68.6 | 173.7 | 67.6 | -143.1 | -7.3 | 113.2 | V3 D81 E82 F83 | V3-R85 WeakPolarHBondContact CB-O 3.42Å; D81-R85 WeakPolarHBondContact O-CB 3.43Å; D81-R85 VanDerWaalsContact O-CG 3.24Å; D81-R85 WeakPolarHBondContact O-CG 3.24Å; D81-R85 PolarHBondContact O-N 3.27Å; E82-R85 PolarHBondContact O-N 2.91Å; F83-R85 VanDerWaalsContact C-N 3.29Å; F83-R85 PolarHBondContact O-N 2.98Å |
| 86 | A | 95.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | trans | -68.8 | 139.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | V3 F5 E82 F83 V89 R108 | V3-A86 WeakPolarHBondContact O-CA 3.1Å; F5-A86 HydrophobicContact CB-CB 3.71Å; E82-A86 WeakPolarHBondContact O-CB 3.43Å; E82-A86 PolarHBondContact O-N 3.41Å; F83-A86 PolarHBondContact O-N 2.92Å; A86-V89 HydrophobicContact CB-CG2 4.1Å; A86-R108 WeakPolarHBondContact O-CD 3.36Å; A86-R108 WeakPolarHBondContact O-CG 3.29Å | ||
| 87 | S | 95.5 | Very high | 91.2 | Very high | 12 Ų | 12 | 39.1 Ų | 39.1 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -105.6 | -16.4 | 163.6 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | M1 V3 Y34 R108 R109 P177 | M1-S87 WeakPolarHBondContact O-CB 3.07Å; M1-S87 PolarHBondContact O-OG 2.85Å; V3-S87 PolarHBondContact O-N 3.27Å; V3-S87 PolarHBondContact O-OG 3.48Å; Y34-S87 VanDerWaalsContact CE1-OG 3.32Å; Y34-S87 WeakPolarHBondContact CE1-OG 3.38Å; S87-R108 WeakPolarHBondContact O-CA 3.25Å; S87-R109 PolarHBondContact O-N 2.79Å; S87-P177 WeakPolarHBondContact OG-CB 3.46Å |
| 88 | L | 96.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 132.1 | 170 | 169.6 | 65.2 | 0 | 0 | 0 | 109 | V3 A4 F5 L29 Y34 I90 R109 I111 | V3-L88 PolarHBondContact O-N 3.34Å; A4-L88 WeakPolarHBondContact CA-O 3.39Å; A4-L88 HydrophobicContact CB-CD2 4.44Å; F5-L88 PolarHBondContact N-O 3.21Å; L29-L88 HydrophobicContact CD2-CD2 3.9Å; Y34-L88 HydrophobicContact CE1-CB 3.77Å; Y34-L88 HydrophobicContact CE1-CD2 4.49Å; Y34-L88 HydrophobicContact CE2-CD2 3.97Å; Y34-L88 VanDerWaalsContact OH-CB 3.22Å; Y34-L88 WeakPolarHBondContact OH-CB 3.35Å; L88-I90 HydrophobicContact CD1-CG1 4.47Å; L88-I90 HydrophobicContact CD2-CD1 4.32Å; L88-I90 HydrophobicContact CD2-CG1 4.38Å; L88-I90 HydrophobicContact CG-CG1 4.22Å; L88-R109 HydrophobicContact CD1-CB 3.87Å; L88-I111 HydrophobicContact CD1-CD1 3.92Å; L88-I111 HydrophobicContact CD1-CG1 3.95Å |
| 89 | V | 97 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 131.4 | 170.7 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | F5 T7 F83 A86 A101 R109 L110 I111 | F5-V89 CarbonylContact O-C 3.53Å; F5-V89 VanDerWaalsContact O-CA 3.29Å; F5-V89 WeakPolarHBondContact O-CA 3.27Å; T7-V89 HydrophobicContact CG2-CG1 4.34Å; F83-V89 HydrophobicContact CD1-CG2 3.99Å; F83-V89 HydrophobicContact CE1-CG1 4.02Å; F83-V89 HydrophobicContact CE1-CG2 4.02Å; A86-V89 HydrophobicContact CB-CG2 4.1Å; V89-A101 HydrophobicContact CB-CB 4.03Å; V89-A101 HydrophobicContact CG1-CB 4Å; V89-A101 HydrophobicContact CG2-CB 4.11Å; V89-R109 PolarHBondContact N-O 2.95Å; V89-L110 HydrophobicContact CB-CD1 4.17Å; V89-L110 HydrophobicContact CG1-CD1 4.05Å; V89-L110 CarbonylContact O-C 3.5Å; V89-L110 WeakPolarHBondContact O-CA 3.49Å; V89-I111 PolarHBondContact O-N 2.84Å |
| 90 | I | 97.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 116.6 | 171.7 | -57.1 | 171.4 | 0 | 0 | 0 | 106.4 | F5 V6 T7 L16 F25 L88 I111 V113 L144 | F5-I90 PolarHBondContact O-N 2.92Å; V6-I90 CarbonylContact C-O 3.58Å; V6-I90 VanDerWaalsContact CA-O 3.29Å; V6-I90 WeakPolarHBondContact CA-O 3.09Å; V6-I90 HydrophobicContact CG2-CB 4.11Å; V6-I90 HydrophobicContact CG2-CD1 4.18Å; T7-I90 PolarHBondContact N-O 3.17Å; L16-I90 HydrophobicContact CD1-CG2 4.35Å; F25-I90 HydrophobicContact CE2-CD1 3.87Å; F25-I90 HydrophobicContact CZ-CD1 3.79Å; L88-I90 HydrophobicContact CD1-CG1 4.47Å; L88-I90 HydrophobicContact CD2-CD1 4.32Å; L88-I90 HydrophobicContact CD2-CG1 4.38Å; L88-I90 HydrophobicContact CG-CG1 4.22Å; I90-I111 WeakPolarHBondContact CA-O 3.36Å; I90-I111 HydrophobicContact CG1-CB 4.27Å; I90-I111 HydrophobicContact CG1-CD1 4.3Å; I90-V113 HydrophobicContact CG2-CG2 3.52Å; I90-L144 HydrophobicContact CD1-CD1 4.47Å; I90-L144 HydrophobicContact CG2-CD1 4.22Å; I90-L144 HydrophobicContact CG2-CD2 4.33Å |
| 91 | S | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 146.9 | -169.1 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | T7 G93 T97 I111 V112 V113 | T7-S91 WeakPolarHBondContact O-CA 3.48Å; S91-G93 PolarHBondContact O-N 2.83Å; S91-G93 PolarHBondContact OG-N 2.87Å; S91-T97 VanDerWaalsContact OG-CG2 3.25Å; S91-T97 WeakPolarHBondContact OG-CG2 3.42Å; S91-I111 PolarHBondContact N-O 3.49Å; S91-V112 CarbonylContact O-C 3.58Å; S91-V112 WeakPolarHBondContact O-CA 3.46Å; S91-V113 PolarHBondContact O-N 3.35Å |
| 92 | H | 90.2 | Very high | 90.4 | Very high | 15 Ų | 15 | 24.5 Ų | 24.5 | 7% | 0.069 | 14% | 0.14 | C | C | . | . | trans | -64.4 | -1.8 | 170.9 | 77.3 | -74.7 | 0 | 0 | 0 | 115.1 | T7 V8 F13 G94 V113 | T7-H92 PolarHBondContact O-N 2.74Å; V8-H92 PolarHBondContact O-CE1 2.81Å; V8-H92 VanDerWaalsContact O-CE1 3.27Å; V8-H92 PolarHBondContact O-ND1 2.85Å; F13-H92 HydrophobicContact CD1-CB 3.5Å; F13-H92 VanDerWaalsContact CD1-CB 3.5Å; F13-H92 HydrophobicContact CE1-CB 3.79Å; H92-G94 PolarHBondContact NE2-N 2.87Å; H92-V113 CarbonylContact C-O 3.52Å; H92-V113 WeakPolarHBondContact CA-O 3.5Å | ||
| 93 | G | 83.1 | Confident | 90 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | trans | 92.7 | 7.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | S91 A95 V112 | S91-G93 PolarHBondContact O-N 2.83Å; S91-G93 PolarHBondContact OG-N 2.87Å; G93-A95 PolarHBondContact O-N 2.65Å; G93-V112 VanDerWaalsContact CA-CG1 3.5Å | ||
| 94 | G | 82.9 | Confident | 89.5 | Confident | 17 Ų | 17 | 29.1 Ų | 29.1 | 18% | 0.175 | 17% | 0.171 | C | C | . | . | trans | -55 | 127.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | H92 G96 T97 C98 | H92-G94 PolarHBondContact NE2-N 2.87Å; G94-G96 VanDerWaalsContact C-N 3.33Å; G94-G96 PolarHBondContact O-N 2.83Å; G94-T97 WeakPolarHBondContact O-CA 3.44Å; G94-T97 VanDerWaalsContact O-CB 3.29Å; G94-T97 WeakPolarHBondContact O-CB 3.29Å; G94-T97 PolarHBondContact O-N 2.92Å; G94-C98 PolarHBondContact O-N 2.65Å | ||
| 95 | A | 80.8 | Confident | 88.8 | Confident | 49 Ų | 49 | 26.2 Ų | 26.2 | 41% | 0.405 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -53.5 | -45.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | G93 T97 C98 I99 L126 | G93-A95 PolarHBondContact O-N 2.65Å; A95-T97 VanDerWaalsContact C-N 3.3Å; A95-T97 PolarHBondContact O-N 3.01Å; A95-C98 PolarHBondContact O-N 3.01Å; A95-I99 WeakPolarHBondContact O-CG1 3.47Å; A95-I99 PolarHBondContact O-N 2.91Å; A95-L126 HydrophobicContact CB-CD2 3.87Å |
| 96 | G | 82.8 | Confident | 88.2 | Confident | 47 Ų | 47 | 22.7 Ų | 22.7 | 49% | 0.485 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -60.3 | -38.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | G94 I99 Q100 | G94-G96 VanDerWaalsContact C-N 3.33Å; G94-G96 PolarHBondContact O-N 2.83Å; G96-I99 PolarHBondContact O-N 3.22Å; G96-Q100 WeakPolarHBondContact O-CG 3.43Å; G96-Q100 PolarHBondContact O-N 3.27Å; G96-Q100 VanDerWaalsContact O-N 3.08Å |
| 97 | T | 88.1 | Confident | 87.7 | Confident | 18 Ų | 18 | 28.7 Ų | 28.7 | 11% | 0.11 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.9 | -42.3 | 176.3 | -50.7 | 0 | 0 | 0 | 0 | 111.2 | T7 F83 S91 G94 A95 I99 Q100 A101 | T7-T97 HydrophobicContact CG2-CG2 3.47Å; T7-T97 VanDerWaalsContact CG2-CG2 3.47Å; F83-T97 HydrophobicContact CZ-CG2 3.81Å; S91-T97 VanDerWaalsContact OG-CG2 3.25Å; S91-T97 WeakPolarHBondContact OG-CG2 3.42Å; G94-T97 WeakPolarHBondContact O-CA 3.44Å; G94-T97 VanDerWaalsContact O-CB 3.29Å; G94-T97 WeakPolarHBondContact O-CB 3.29Å; G94-T97 PolarHBondContact O-N 2.92Å; A95-T97 VanDerWaalsContact C-N 3.3Å; A95-T97 PolarHBondContact O-N 3.01Å; T97-I99 PolarHBondContact O-N 2.85Å; T97-Q100 PolarHBondContact O-N 3.19Å; T97-A101 VanDerWaalsContact O-CB 3.28Å; T97-A101 WeakPolarHBondContact O-CB 3.38Å; T97-A101 PolarHBondContact O-N 3.12Å |
| 98 | C | 88.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 176.2 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | G94 A95 Q100 A101 L102 L110 L130 | G94-C98 PolarHBondContact O-N 2.65Å; A95-C98 PolarHBondContact O-N 3.01Å; C98-Q100 PolarHBondContact O-N 3.04Å; C98-A101 PolarHBondContact O-N 2.89Å; C98-L102 WeakPolarHBondContact O-CB 3.4Å; C98-L102 VanDerWaalsContact O-CG 3.28Å; C98-L102 WeakPolarHBondContact O-CG 3.22Å; C98-L102 PolarHBondContact O-N 3.46Å; C98-L110 HydrophobicContact CB-CD2 4.1Å; C98-L130 HydrophobicContact CB-CD1 4.08Å |
| 99 | I | 85 | Confident | 87.4 | Confident | 38 Ų | 38 | 29 Ų | 29 | 20% | 0.195 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.5 | -49.9 | 174.9 | -70.1 | 172 | 0 | 0 | 0 | 111 | A95 G96 T97 A101 L102 T103 P194 L197 | A95-I99 WeakPolarHBondContact O-CG1 3.47Å; A95-I99 PolarHBondContact O-N 2.91Å; G96-I99 PolarHBondContact O-N 3.22Å; T97-I99 PolarHBondContact O-N 2.85Å; I99-A101 VanDerWaalsContact C-N 3.34Å; I99-A101 PolarHBondContact O-N 3.34Å; I99-L102 PolarHBondContact O-N 2.95Å; I99-T103 VanDerWaalsContact O-CB 3.26Å; I99-T103 WeakPolarHBondContact O-CB 3.4Å; I99-T103 PolarHBondContact O-N 3.27Å; I99-T103 PolarHBondContact O-OG1 3.49Å; I99-P194 HydrophobicContact CD1-CB 4.32Å; I99-P194 HydrophobicContact CG2-CB 3.48Å; I99-P194 VanDerWaalsContact CG2-CB 3.48Å; I99-P194 HydrophobicContact CG2-CG 3.63Å; I99-L197 HydrophobicContact CD1-CB 4.35Å; I99-L197 HydrophobicContact CD1-CD2 3.73Å; I99-L197 HydrophobicContact CG1-CB 4.27Å; I99-L197 HydrophobicContact CG1-CD2 3.54Å; I99-L197 HydrophobicContact CG1-CG 4.37Å |
| 100 | Q | 87.8 | Confident | 87.3 | Confident | 87 Ų | 87 | 29 Ų | 29 | 41% | 0.407 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -64.8 | -39.1 | -180 | -72.9 | -178.7 | -8.2 | 0 | 0 | 111.6 | F83 G96 T97 C98 L102 T103 R108 | F83-Q100 HydrophobicContact CD1-CB 4.28Å; F83-Q100 HydrophobicContact CD2-CB 3.94Å; F83-Q100 HydrophobicContact CE1-CB 4.02Å; F83-Q100 HydrophobicContact CE2-CB 3.69Å; F83-Q100 HydrophobicContact CE2-CG 4.47Å; F83-Q100 HydrophobicContact CG-CB 4.24Å; F83-Q100 HydrophobicContact CZ-CB 3.71Å; G96-Q100 WeakPolarHBondContact O-CG 3.43Å; G96-Q100 PolarHBondContact O-N 3.27Å; G96-Q100 VanDerWaalsContact O-N 3.08Å; T97-Q100 PolarHBondContact O-N 3.19Å; C98-Q100 PolarHBondContact O-N 3.04Å; Q100-L102 VanDerWaalsContact C-N 3.29Å; Q100-L102 PolarHBondContact O-N 2.82Å; Q100-T103 PolarHBondContact O-N 3.5Å; Q100-R108 PolarHBondContact O-NH1 2.91Å |
| 101 | A | 90.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.4 | -31.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.1 | F83 V89 T97 C98 I99 R108 L110 | F83-A101 HydrophobicContact CD1-CB 4.4Å; F83-A101 HydrophobicContact CE1-CB 3.8Å; V89-A101 HydrophobicContact CB-CB 4.03Å; V89-A101 HydrophobicContact CG1-CB 4Å; V89-A101 HydrophobicContact CG2-CB 4.11Å; T97-A101 VanDerWaalsContact O-CB 3.28Å; T97-A101 WeakPolarHBondContact O-CB 3.38Å; T97-A101 PolarHBondContact O-N 3.12Å; C98-A101 PolarHBondContact O-N 2.89Å; I99-A101 VanDerWaalsContact C-N 3.34Å; I99-A101 PolarHBondContact O-N 3.34Å; A101-R108 PolarHBondContact O-NH1 3.21Å; A101-L110 HydrophobicContact CB-CB 4.5Å; A101-L110 HydrophobicContact CB-CD1 3.86Å; A101-L110 HydrophobicContact CB-CD2 4.19Å; A101-L110 HydrophobicContact CB-CG 4.41Å |
| 102 | L | 89.6 | Confident | 87.2 | Confident | 10 Ų | 10 | 29.1 Ų | 29.1 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -95.7 | -5.2 | -178.7 | -61.9 | 171.3 | 0 | 0 | 0 | 113.4 | C98 I99 Q100 P104 C105 L110 L130 H135 F189 | C98-L102 WeakPolarHBondContact O-CB 3.4Å; C98-L102 VanDerWaalsContact O-CG 3.28Å; C98-L102 WeakPolarHBondContact O-CG 3.22Å; C98-L102 PolarHBondContact O-N 3.46Å; I99-L102 PolarHBondContact O-N 2.95Å; Q100-L102 VanDerWaalsContact C-N 3.29Å; Q100-L102 PolarHBondContact O-N 2.82Å; L102-P104 CarbonylContact O-C 3.57Å; L102-P104 VanDerWaalsContact O-C 3.27Å; L102-C105 WeakPolarHBondContact O-CA 3.25Å; L102-C105 PolarHBondContact O-N 3.1Å; L102-L110 HydrophobicContact CD1-CD2 4.16Å; L102-L110 HydrophobicContact CD2-CB 4.09Å; L102-L110 HydrophobicContact CD2-CD2 4.23Å; L102-L110 HydrophobicContact CG-CD2 4.05Å; L102-L130 HydrophobicContact CD1-CD2 3.82Å; L102-H135 HydrophobicContact CD1-CB 4.25Å; L102-H135 WeakPolarHBondContact CD2-O 3.39Å; L102-F189 HydrophobicContact CB-CB 3.68Å; L102-F189 HydrophobicContact CB-CD1 4.49Å; L102-F189 HydrophobicContact CB-CG 4.21Å; L102-F189 HydrophobicContact CD1-CB 3.89Å; L102-F189 HydrophobicContact CD1-CD1 4.45Å; L102-F189 HydrophobicContact CD1-CD2 4.06Å; L102-F189 HydrophobicContact CD1-CG 3.83Å; L102-F189 HydrophobicContact CG-CB 4.23Å |
| 103 | T | 85.8 | Confident | 87.4 | Confident | 41 Ų | 41 | 28.4 Ų | 28.4 | 25% | 0.252 | 18% | 0.175 | S | C | . | . | trans | -112.8 | 126.1 | 179.5 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | I99 Q100 R108 | I99-T103 VanDerWaalsContact O-CB 3.26Å; I99-T103 WeakPolarHBondContact O-CB 3.4Å; I99-T103 PolarHBondContact O-N 3.27Å; I99-T103 PolarHBondContact O-OG1 3.49Å; Q100-T103 PolarHBondContact O-N 3.5Å; T103-R108 VanDerWaalsContact O-CZ 3.24Å; T103-R108 PolarHBondContact O-NH1 3.12Å; T103-R108 PolarHBondContact O-NH2 3.36Å | ||
| 104 | P | 82.7 | Confident | 87.8 | Confident | 72 Ų | 72 | 28.7 Ų | 28.7 | 47% | 0.468 | 18% | 0.177 | S | C | . | . | S | Bend | cis | -71.7 | 152.5 | -4.6 | 31.8 | -34.5 | 0 | 0 | 0 | 111.3 | L102 R107 | L102-P104 CarbonylContact O-C 3.57Å; L102-P104 VanDerWaalsContact O-C 3.27Å; P104-R107 HydrophobicContact CG-CB 4.27Å |
| 105 | C | 78 | Confident | 88.1 | Confident | 39 Ų | 39 | 28.5 Ų | 28.5 | 26% | 0.264 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 141 | 178.2 | 174.1 | 0 | 0 | 0 | 0 | 112.3 | L102 R107 G188 | L102-C105 WeakPolarHBondContact O-CA 3.25Å; L102-C105 PolarHBondContact O-N 3.1Å; C105-R107 PolarHBondContact O-N 2.99Å; C105-G188 WeakPolarHBondContact SG-CA 3.17Å |
| 106 | G | 80 | Confident | 88.2 | Confident | 27 Ų | 27 | 30.9 Ų | 30.9 | 28% | 0.278 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 1.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | P181 | G106-P181 VanDerWaalsContact O-CD 3.27Å; G106-P181 WeakPolarHBondContact O-CD 3.4Å |
| 107 | R | 84.7 | Confident | 88.2 | Confident | 130 Ų | 130 | 33.9 Ų | 33.9 | 49% | 0.491 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -84.7 | -32.7 | -178.3 | -169.4 | -176.1 | 175.7 | 106 | -0.6 | 113.5 | Q84 P104 C105 | Q84-R107 VanDerWaalsContact O-CZ 3.3Å; Q84-R107 PolarHBondContact O-NE 2.97Å; Q84-R107 VanDerWaalsContact O-NE 3.16Å; Q84-R107 PolarHBondContact O-NH2 3.3Å; P104-R107 HydrophobicContact CG-CB 4.27Å; C105-R107 PolarHBondContact O-N 2.99Å |
| 108 | R | 92 | Very high | 87.5 | Confident | 15 Ų | 15 | 37.9 Ų | 37.9 | 6% | 0.057 | 21% | 0.206 | C | C | . | . | trans | -138.9 | 155.6 | -168.7 | -42.9 | 178.9 | -152.5 | 86.3 | -6.1 | 111.3 | F83 A86 S87 Q100 A101 T103 | F83-R108 WeakPolarHBondContact O-CD 3.44Å; F83-R108 PolarHBondContact O-NE 3.41Å; A86-R108 WeakPolarHBondContact O-CD 3.36Å; A86-R108 WeakPolarHBondContact O-CG 3.29Å; S87-R108 WeakPolarHBondContact O-CA 3.25Å; Q100-R108 PolarHBondContact O-NH1 2.91Å; A101-R108 PolarHBondContact O-NH1 3.21Å; T103-R108 VanDerWaalsContact O-CZ 3.24Å; T103-R108 PolarHBondContact O-NH1 3.12Å; T103-R108 PolarHBondContact O-NH2 3.36Å | ||
| 109 | R | 94.2 | Very high | 86 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.015 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 149.2 | 162.7 | -64.2 | 165.2 | 177.3 | 79.1 | -5 | 109 | S87 L88 V89 R173 L174 G176 V179 P181 F186 | S87-R109 PolarHBondContact O-N 2.79Å; L88-R109 HydrophobicContact CD1-CB 3.87Å; V89-R109 PolarHBondContact N-O 2.95Å; R109-R173 PolarHBondContact NH2-O 3Å; R109-L174 VanDerWaalsContact CD-O 3.28Å; R109-L174 WeakPolarHBondContact CD-O 3.36Å; R109-L174 PolarHBondContact NE-O 2.96Å; R109-G176 PolarHBondContact NH1-O 3.2Å; R109-G176 PolarHBondContact NH2-O 2.8Å; R109-V179 VanDerWaalsContact CZ-O 3.25Å; R109-V179 PolarHBondContact NH1-O 3.46Å; R109-V179 PolarHBondContact NH2-O 2.77Å; R109-P181 HydrophobicContact CG-CB 4.27Å; R109-P181 HydrophobicContact CG-CG 4.16Å; R109-F186 HydrophobicContact CB-CZ 4.32Å; R109-F186 HydrophobicContact CG-CD2 4.27Å; R109-F186 HydrophobicContact CG-CE2 3.9Å; R109-F186 HydrophobicContact CG-CZ 4.05Å |
| 110 | L | 94.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.8 | 172.7 | 175.7 | 60 | 0 | 0 | 0 | 108.8 | V89 C98 A101 L102 V112 L130 A136 L137 | V89-L110 HydrophobicContact CB-CD1 4.17Å; V89-L110 HydrophobicContact CG1-CD1 4.05Å; V89-L110 CarbonylContact O-C 3.5Å; V89-L110 WeakPolarHBondContact O-CA 3.49Å; C98-L110 HydrophobicContact CB-CD2 4.1Å; A101-L110 HydrophobicContact CB-CB 4.5Å; A101-L110 HydrophobicContact CB-CD1 3.86Å; A101-L110 HydrophobicContact CB-CD2 4.19Å; A101-L110 HydrophobicContact CB-CG 4.41Å; L102-L110 HydrophobicContact CD1-CD2 4.16Å; L102-L110 HydrophobicContact CD2-CB 4.09Å; L102-L110 HydrophobicContact CD2-CD2 4.23Å; L102-L110 HydrophobicContact CG-CD2 4.05Å; L110-V112 HydrophobicContact CD1-CG2 4.37Å; L110-V112 HydrophobicContact CD2-CG2 3.95Å; L110-V112 HydrophobicContact CG-CG2 3.94Å; L110-L130 HydrophobicContact CD2-CD1 4.32Å; L110-A136 HydrophobicContact CB-CB 3.92Å; L110-A136 HydrophobicContact CD2-CB 3.96Å; L110-A136 HydrophobicContact CG-CB 3.84Å; L110-A136 CarbonylContact O-C 3.55Å; L110-A136 VanDerWaalsContact O-CA 3.25Å; L110-A136 WeakPolarHBondContact O-CA 3.32Å; L110-A136 WeakPolarHBondContact O-CB 2.93Å; L110-L137 PolarHBondContact O-N 2.87Å |
| 111 | I | 95.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 120.3 | 162.6 | -60.6 | 173.8 | 0 | 0 | 0 | 106.6 | L88 V89 I90 S91 V113 L137 L144 L147 L148 L175 | L88-I111 HydrophobicContact CD1-CD1 3.92Å; L88-I111 HydrophobicContact CD1-CG1 3.95Å; V89-I111 PolarHBondContact O-N 2.84Å; I90-I111 WeakPolarHBondContact CA-O 3.36Å; I90-I111 HydrophobicContact CG1-CB 4.27Å; I90-I111 HydrophobicContact CG1-CD1 4.3Å; S91-I111 PolarHBondContact N-O 3.49Å; I111-V113 HydrophobicContact CG2-CG2 4.33Å; I111-L137 CarbonylContact C-O 3.58Å; I111-L137 WeakPolarHBondContact CA-O 3.49Å; I111-L137 HydrophobicContact CG1-CB 4.33Å; I111-L137 HydrophobicContact CG1-CD1 4.45Å; I111-L144 HydrophobicContact CG2-CD1 4.24Å; I111-L147 HydrophobicContact CD1-CD2 4.12Å; I111-L147 HydrophobicContact CG1-CD2 4.39Å; I111-L147 HydrophobicContact CG2-CD2 3.95Å; I111-L148 HydrophobicContact CD1-CD2 4.14Å; I111-L175 HydrophobicContact CD1-CD2 3.98Å; I111-L175 HydrophobicContact CG1-CD2 4.5Å |
| 112 | V | 94.1 | Very high | 83.4 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 123.3 | 172.2 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | S91 G93 L110 V114 A127 L130 A136 L137 V138 C139 | S91-V112 CarbonylContact O-C 3.58Å; S91-V112 WeakPolarHBondContact O-CA 3.46Å; G93-V112 VanDerWaalsContact CA-CG1 3.5Å; L110-V112 HydrophobicContact CD1-CG2 4.37Å; L110-V112 HydrophobicContact CD2-CG2 3.95Å; L110-V112 HydrophobicContact CG-CG2 3.94Å; V112-V114 HydrophobicContact CG1-CG2 4.45Å; V112-A127 HydrophobicContact CB-CB 4.18Å; V112-A127 HydrophobicContact CG1-CB 3.62Å; V112-L130 HydrophobicContact CG2-CD1 4.31Å; V112-A136 HydrophobicContact CG2-CB 4.13Å; V112-L137 PolarHBondContact N-O 3.22Å; V112-V138 HydrophobicContact CB-CG2 4.36Å; V112-V138 VanDerWaalsContact O-CA 3.31Å; V112-V138 WeakPolarHBondContact O-CA 3.39Å; V112-C139 PolarHBondContact O-N 3.33Å |
| 113 | V | 94.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 103 | 176.8 | -171.1 | 0 | 0 | 0 | 0 | 107.8 | F13 L16 I90 S91 H92 I111 C139 P141 L144 | F13-V113 HydrophobicContact CE1-CB 4.44Å; F13-V113 HydrophobicContact CE1-CG1 4.26Å; F13-V113 WeakPolarHBondContact CE1-O 3.25Å; F13-V113 HydrophobicContact CZ-CG1 4.15Å; L16-V113 HydrophobicContact CD1-CB 4.42Å; L16-V113 HydrophobicContact CD1-CG1 4.25Å; L16-V113 HydrophobicContact CD1-CG2 4.06Å; L16-V113 HydrophobicContact CD2-CB 4.37Å; L16-V113 HydrophobicContact CD2-CG2 4.41Å; I90-V113 HydrophobicContact CG2-CG2 3.52Å; S91-V113 PolarHBondContact O-N 3.35Å; H92-V113 CarbonylContact C-O 3.52Å; H92-V113 WeakPolarHBondContact CA-O 3.5Å; I111-V113 HydrophobicContact CG2-CG2 4.33Å; V113-C139 CarbonylContact C-O 3.59Å; V113-C139 VanDerWaalsContact CA-O 3.3Å; V113-C139 WeakPolarHBondContact CA-O 3.13Å; V113-P141 HydrophobicContact CG1-CG 3.87Å; V113-L144 HydrophobicContact CG2-CD1 4.36Å; V113-L144 HydrophobicContact CG2-CD2 4.41Å |
| 114 | V | 91.3 | Very high | 82.7 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | trans | -73.1 | 130.8 | 179.2 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | V112 D116 E124 A127 V138 C139 P141 | V112-V114 HydrophobicContact CG1-CG2 4.45Å; V114-D116 PolarHBondContact O-N 2.99Å; V114-E124 HydrophobicContact CG1-CB 4.17Å; V114-E124 HydrophobicContact CG1-CG 4.48Å; V114-A127 HydrophobicContact CG2-CB 3.72Å; V114-V138 HydrophobicContact CG2-CG1 3.67Å; V114-C139 PolarHBondContact N-O 3.41Å; V114-P141 WeakPolarHBondContact O-CD 3.42Å | ||
| 115 | N | 89.2 | Confident | 82.7 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.07 | 30% | 0.3 | C | S | . | . | trans | -80.6 | 95.3 | 173.1 | -171.2 | -9.5 | 0 | 0 | 0 | 110.1 | F13 T117 L118 | F13-N115 HydrophobicContact CD2-CB 4.3Å; F13-N115 HydrophobicContact CE1-CB 3.96Å; F13-N115 HydrophobicContact CE2-CB 3.65Å; F13-N115 VanDerWaalsContact CE2-CG 3.41Å; F13-N115 HydrophobicContact CZ-CB 3.46Å; F13-N115 VanDerWaalsContact CZ-CB 3.46Å; N115-T117 PolarHBondContact O-N 2.89Å; N115-T117 VanDerWaalsContact O-N 3.14Å; N115-T117 WeakPolarHBondContact OD1-CB 3.46Å; N115-T117 PolarHBondContact OD1-N 2.86Å; N115-T117 PolarHBondContact OD1-OG1 3.48Å; N115-L118 HydrophobicContact CB-CB 4.43Å; N115-L118 WeakPolarHBondContact ND2-CD1 3.27Å; N115-L118 WeakPolarHBondContact ND2-CG 3.45Å; N115-L118 PolarHBondContact O-N 2.92Å | ||
| 116 | D | 83.8 | Confident | 83 | Confident | 98 Ų | 98 | 57.1 Ų | 57.1 | 52% | 0.524 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -8.7 | 178.3 | 55.2 | 2.8 | 0 | 0 | 0 | 114.4 | V114 T140 | V114-D116 PolarHBondContact O-N 2.99Å; D116-T140 HydrophobicContact CB-CG2 4.27Å |
| 117 | T | 81.6 | Confident | 83.4 | Confident | 110 Ų | 110 | 55.8 Ų | 55.8 | 68% | 0.675 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -18.6 | 175.2 | 70.6 | 0 | 0 | 0 | 0 | 113.9 | N115 | N115-T117 PolarHBondContact O-N 2.89Å; N115-T117 VanDerWaalsContact O-N 3.14Å; N115-T117 WeakPolarHBondContact OD1-CB 3.46Å; N115-T117 PolarHBondContact OD1-N 2.86Å; N115-T117 PolarHBondContact OD1-OG1 3.48Å |
| 118 | L | 74.5 | Confident | 83.4 | Confident | 102 Ų | 102 | 52.3 Ų | 52.3 | 53% | 0.534 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -108.5 | 107.9 | 175.9 | -70.7 | 174.4 | 0 | 0 | 0 | 107.7 | N115 D120 | N115-L118 HydrophobicContact CB-CB 4.43Å; N115-L118 WeakPolarHBondContact ND2-CD1 3.27Å; N115-L118 WeakPolarHBondContact ND2-CG 3.45Å; N115-L118 PolarHBondContact O-N 2.92Å; L118-D120 PolarHBondContact O-N 3.28Å |
| 119 | M | 56.2 | Low | 83.1 | Confident | 188 Ų | 188 | 51.7 Ų | 51.7 | 93% | 0.926 | 27% | 0.266 | S | S | * | . | trans | -70.8 | 68.1 | 177 | -67.3 | -175.5 | -178.4 | 0 | 0 | 111.3 | ||||
| 120 | D | 66.9 | Low | 82.9 | Confident | 68 Ų | 68 | 51.5 Ų | 51.5 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | trans | -105.6 | 87.6 | 169.1 | -169.9 | 1 | 0 | 0 | 0 | 108.6 | L118 H122 Q123 | L118-D120 PolarHBondContact O-N 3.28Å; D120-H122 PolarHBondContact O-N 2.85Å; D120-H122 IonicContact OD1-CD2 3.22Å; D120-Q123 HydrophobicContact CB-CG 4.3Å; D120-Q123 PolarHBondContact O-N 3.38Å; D120-Q123 PolarHBondContact OD2-NE2 2.89Å | ||
| 121 | N | 69.4 | Low | 82.7 | Confident | 105 Ų | 105 | 51.7 Ų | 51.7 | 56% | 0.561 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -52.4 | -29.5 | -177 | -69.3 | -5.2 | 0 | 0 | 0 | 112.2 | Q123 E124 E125 | N121-Q123 VanDerWaalsContact C-N 3.33Å; N121-Q123 PolarHBondContact O-N 3.24Å; N121-E124 PolarHBondContact O-N 3.45Å; N121-E125 VanDerWaalsContact O-CB 3.3Å; N121-E125 WeakPolarHBondContact O-CB 3.3Å; N121-E125 VanDerWaalsContact O-CG 3.26Å; N121-E125 WeakPolarHBondContact O-CG 3.35Å; N121-E125 PolarHBondContact O-N 2.99Å |
| 122 | H | 73 | Confident | 82.2 | Confident | 134 Ų | 134 | 54.5 Ų | 54.5 | 62% | 0.62 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -66.6 | -32 | -179.8 | -65.4 | -50 | 0 | 0 | 0 | 113.5 | D120 E125 L126 | D120-H122 PolarHBondContact O-N 2.85Å; D120-H122 IonicContact OD1-CD2 3.22Å; H122-E125 IonicContact ND1-OE2 2.78Å; H122-E125 PolarHBondContact ND1-OE2 3.14Å; H122-L126 WeakPolarHBondContact O-CB 3.44Å; H122-L126 PolarHBondContact O-N 2.92Å; H122-L126 VanDerWaalsContact O-N 3.12Å |
| 123 | Q | 77.2 | Confident | 81.8 | Confident | 46 Ų | 46 | 55 Ų | 55 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -70.4 | -41.6 | 176.4 | -68.2 | 178.4 | 31 | 0 | 0 | 111.1 | D120 N121 A127 | D120-Q123 HydrophobicContact CB-CG 4.3Å; D120-Q123 PolarHBondContact O-N 3.38Å; D120-Q123 PolarHBondContact OD2-NE2 2.89Å; N121-Q123 VanDerWaalsContact C-N 3.33Å; N121-Q123 PolarHBondContact O-N 3.24Å; Q123-A127 WeakPolarHBondContact O-CB 3.49Å; Q123-A127 PolarHBondContact O-N 2.81Å |
| 124 | E | 83.2 | Confident | 81.7 | Confident | 69 Ų | 69 | 57.9 Ų | 57.9 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.7 | -44.9 | 177 | -175 | 165 | -144.3 | 0 | 0 | 111.4 | V114 N121 L126 A127 L128 Y156 | V114-E124 HydrophobicContact CG1-CB 4.17Å; V114-E124 HydrophobicContact CG1-CG 4.48Å; N121-E124 PolarHBondContact O-N 3.45Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-L126 PolarHBondContact O-N 3.11Å; E124-A127 WeakPolarHBondContact O-CB 3.5Å; E124-A127 PolarHBondContact O-N 2.82Å; E124-A127 VanDerWaalsContact O-N 3.1Å; E124-L128 HydrophobicContact CG-CD1 3.97Å; E124-L128 HydrophobicContact CG-CG 4.22Å; E124-L128 WeakPolarHBondContact O-CB 3.27Å; E124-L128 VanDerWaalsContact O-CG 3.27Å; E124-L128 WeakPolarHBondContact O-CG 3.26Å; E124-L128 PolarHBondContact O-N 3.41Å; E124-Y156 VanDerWaalsContact OE1-CE1 3.28Å; E124-Y156 WeakPolarHBondContact OE1-CE1 3.28Å; E124-Y156 PolarHBondContact OE1-OH 3.19Å |
| 125 | E | 82.4 | Confident | 81.6 | Confident | 69 Ų | 69 | 58.1 Ų | 58.1 | 32% | 0.322 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -52.3 | -48.7 | 173.6 | -84 | 172.7 | -171.4 | 0 | 0 | 112.2 | N121 H122 L128 A129 L205 | N121-E125 VanDerWaalsContact O-CB 3.3Å; N121-E125 WeakPolarHBondContact O-CB 3.3Å; N121-E125 VanDerWaalsContact O-CG 3.26Å; N121-E125 WeakPolarHBondContact O-CG 3.35Å; N121-E125 PolarHBondContact O-N 2.99Å; H122-E125 IonicContact ND1-OE2 2.78Å; H122-E125 PolarHBondContact ND1-OE2 3.14Å; E125-L128 PolarHBondContact O-N 3.08Å; E125-A129 WeakPolarHBondContact O-CB 3.28Å; E125-A129 PolarHBondContact O-N 3.37Å; E125-L205 HydrophobicContact CB-CD1 4.34Å; E125-L205 HydrophobicContact CB-CD2 3.67Å; E125-L205 HydrophobicContact CG-CD2 3.82Å |
| 126 | L | 83.9 | Confident | 81.7 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 6% | 0.063 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 175.2 | 174 | 55.4 | 0 | 0 | 0 | 111.8 | A95 H122 E124 L128 A129 L130 L197 I201 | A95-L126 HydrophobicContact CB-CD2 3.87Å; H122-L126 WeakPolarHBondContact O-CB 3.44Å; H122-L126 PolarHBondContact O-N 2.92Å; H122-L126 VanDerWaalsContact O-N 3.12Å; E124-L126 VanDerWaalsContact C-N 3.33Å; E124-L126 PolarHBondContact O-N 3.11Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 3.2Å; L126-A129 PolarHBondContact O-N 2.94Å; L126-L130 HydrophobicContact CD1-CD1 4.02Å; L126-L130 HydrophobicContact CD1-CG 4.04Å; L126-L130 HydrophobicContact CG-CD1 4.17Å; L126-L130 WeakPolarHBondContact O-CG 2.75Å; L126-L130 PolarHBondContact O-N 3.06Å; L126-L197 HydrophobicContact CD1-CD1 4.48Å; L126-I201 HydrophobicContact CD1-CD1 3.35Å; L126-I201 HydrophobicContact CD1-CG1 3.66Å |
| 127 | A | 88.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.9 | -46.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V112 V114 Q123 E124 L130 L131 V138 | V112-A127 HydrophobicContact CB-CB 4.18Å; V112-A127 HydrophobicContact CG1-CB 3.62Å; V114-A127 HydrophobicContact CG2-CB 3.72Å; Q123-A127 WeakPolarHBondContact O-CB 3.49Å; Q123-A127 PolarHBondContact O-N 2.81Å; E124-A127 WeakPolarHBondContact O-CB 3.5Å; E124-A127 PolarHBondContact O-N 2.82Å; E124-A127 VanDerWaalsContact O-N 3.1Å; A127-L130 PolarHBondContact O-N 2.89Å; A127-L131 PolarHBondContact O-N 3.22Å; A127-V138 HydrophobicContact CB-CG1 3.81Å; A127-V138 HydrophobicContact CB-CG2 3.91Å; A127-V138 VanDerWaalsContact O-CG2 3.25Å; A127-V138 WeakPolarHBondContact O-CG2 3.42Å |
| 128 | L | 86.4 | Confident | 82.8 | Confident | 56 Ų | 56 | 47.6 Ų | 47.6 | 29% | 0.293 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65 | -41.7 | 178.6 | -68.2 | 177.3 | 0 | 0 | 0 | 112.4 | E124 E125 L126 L130 L131 Q132 Y156 | E124-L128 HydrophobicContact CG-CD1 3.97Å; E124-L128 HydrophobicContact CG-CG 4.22Å; E124-L128 WeakPolarHBondContact O-CB 3.27Å; E124-L128 VanDerWaalsContact O-CG 3.27Å; E124-L128 WeakPolarHBondContact O-CG 3.26Å; E124-L128 PolarHBondContact O-N 3.41Å; E125-L128 PolarHBondContact O-N 3.08Å; L126-L128 VanDerWaalsContact C-N 3.3Å; L126-L128 PolarHBondContact O-N 3.2Å; L128-L130 VanDerWaalsContact C-N 3.32Å; L128-L130 PolarHBondContact O-N 3.3Å; L128-L131 WeakPolarHBondContact O-CB 3.23Å; L128-L131 PolarHBondContact O-N 3.27Å; L128-Q132 WeakPolarHBondContact O-CB 3.14Å; L128-Q132 VanDerWaalsContact O-CG 3.27Å; L128-Q132 WeakPolarHBondContact O-CG 3.22Å; L128-Q132 PolarHBondContact O-N 3.27Å; L128-Y156 HydrophobicContact CD2-CD1 3.54Å; L128-Y156 HydrophobicContact CD2-CE1 3.94Å; L128-Y156 HydrophobicContact CD2-CG 4.28Å |
| 129 | A | 85.6 | Confident | 83.7 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E125 L126 G133 R204 | E125-A129 WeakPolarHBondContact O-CB 3.28Å; E125-A129 PolarHBondContact O-N 3.37Å; L126-A129 PolarHBondContact O-N 2.94Å; A129-G133 PolarHBondContact O-N 3.35Å; A129-R204 HydrophobicContact CB-CB 4.4Å |
| 130 | L | 88.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.6 | -38.1 | 175.5 | -68.3 | 174 | 0 | 0 | 0 | 112.3 | C98 L102 L110 V112 L126 A127 L128 G133 K134 H135 A136 F189 L197 | C98-L130 HydrophobicContact CB-CD1 4.08Å; L102-L130 HydrophobicContact CD1-CD2 3.82Å; L110-L130 HydrophobicContact CD2-CD1 4.32Å; V112-L130 HydrophobicContact CG2-CD1 4.31Å; L126-L130 HydrophobicContact CD1-CD1 4.02Å; L126-L130 HydrophobicContact CD1-CG 4.04Å; L126-L130 HydrophobicContact CG-CD1 4.17Å; L126-L130 WeakPolarHBondContact O-CG 2.75Å; L126-L130 PolarHBondContact O-N 3.06Å; A127-L130 PolarHBondContact O-N 2.89Å; L128-L130 VanDerWaalsContact C-N 3.32Å; L128-L130 PolarHBondContact O-N 3.3Å; L130-G133 PolarHBondContact O-N 3.16Å; L130-K134 PolarHBondContact O-N 3.31Å; L130-H135 HydrophobicContact CB-CB 4.33Å; L130-H135 HydrophobicContact CD2-CB 3.91Å; L130-H135 WeakPolarHBondContact O-CB 3.35Å; L130-H135 PolarHBondContact O-N 2.94Å; L130-A136 HydrophobicContact CB-CB 3.98Å; L130-A136 PolarHBondContact O-N 2.92Å; L130-F189 HydrophobicContact CD2-CD2 4.21Å; L130-F189 HydrophobicContact CD2-CE2 4.15Å; L130-L197 HydrophobicContact CD2-CD1 4.15Å |
| 131 | L | 90.2 | Very high | 86.7 | Confident | 4 Ų | 4 | 31.6 Ų | 31.6 | 2% | 0.021 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.2 | -49.1 | 176.3 | -174.4 | 56.9 | 0 | 0 | 0 | 111.9 | A127 L128 G133 K134 A136 V138 E153 F160 | A127-L131 PolarHBondContact O-N 3.22Å; L128-L131 WeakPolarHBondContact O-CB 3.23Å; L128-L131 PolarHBondContact O-N 3.27Å; L131-G133 VanDerWaalsContact C-N 3.26Å; L131-G133 PolarHBondContact O-N 2.73Å; L131-K134 WeakPolarHBondContact O-CA 3.5Å; L131-K134 PolarHBondContact O-N 2.77Å; L131-A136 WeakPolarHBondContact CA-O 3.25Å; L131-A136 WeakPolarHBondContact CD1-O 3.43Å; L131-V138 HydrophobicContact CB-CG2 3.76Å; L131-V138 HydrophobicContact CD1-CG2 4.38Å; L131-V138 HydrophobicContact CD2-CB 4.27Å; L131-V138 HydrophobicContact CD2-CG2 4.21Å; L131-V138 HydrophobicContact CG-CG2 4.34Å; L131-E153 WeakPolarHBondContact CD1-OE1 3.45Å; L131-E153 WeakPolarHBondContact CD1-OE2 3.17Å; L131-F160 HydrophobicContact CD1-CD2 4.47Å; L131-F160 HydrophobicContact CD1-CE2 4.41Å |
| 132 | Q | 85.8 | Confident | 87.8 | Confident | 59 Ų | 59 | 30.2 Ų | 30.2 | 28% | 0.276 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64.1 | -33.6 | 179.3 | -71.1 | 172.6 | -2.4 | 0 | 0 | 112.3 | L128 K134 F208 | L128-Q132 WeakPolarHBondContact O-CB 3.14Å; L128-Q132 VanDerWaalsContact O-CG 3.27Å; L128-Q132 WeakPolarHBondContact O-CG 3.22Å; L128-Q132 PolarHBondContact O-N 3.27Å; Q132-K134 PolarHBondContact O-N 2.84Å; Q132-F208 VanDerWaalsContact NE2-CE1 3.32Å |
| 133 | G | 86.8 | Confident | 88.8 | Confident | 10 Ų | 10 | 24.1 Ų | 24.1 | 10% | 0.103 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -5.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A129 L130 L131 H135 V187 Y200 | A129-G133 PolarHBondContact O-N 3.35Å; L130-G133 PolarHBondContact O-N 3.16Å; L131-G133 VanDerWaalsContact C-N 3.26Å; L131-G133 PolarHBondContact O-N 2.73Å; G133-H135 PolarHBondContact O-CE1 3.05Å; G133-H135 PolarHBondContact O-N 2.76Å; G133-V187 WeakPolarHBondContact O-CB 3.5Å; G133-Y200 VanDerWaalsContact CA-OH 3.24Å; G133-Y200 WeakPolarHBondContact CA-OH 3.47Å |
| 134 | K | 90.3 | Very high | 89.6 | Confident | 61 Ų | 61 | 22 Ų | 22 | 27% | 0.265 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 28.8 | -169.9 | -59.2 | -178.4 | 178.6 | -179.6 | 0 | 113.1 | L130 L131 Q132 F160 F186 V187 | L130-K134 PolarHBondContact O-N 3.31Å; L131-K134 WeakPolarHBondContact O-CA 3.5Å; L131-K134 PolarHBondContact O-N 2.77Å; Q132-K134 PolarHBondContact O-N 2.84Å; K134-F160 HydrophobicContact CB-CE1 4.36Å; K134-F160 HydrophobicContact CB-CE2 4.02Å; K134-F160 HydrophobicContact CB-CZ 3.63Å; K134-F160 HydrophobicContact CG-CE2 4.1Å; K134-F160 HydrophobicContact CG-CZ 4.04Å; K134-F186 CarbonylContact O-C 3.58Å; K134-F186 VanDerWaalsContact O-CA 3.28Å; K134-F186 WeakPolarHBondContact O-CA 3.36Å; K134-V187 HydrophobicContact CB-CB 4.34Å; K134-V187 HydrophobicContact CB-CG2 3.92Å; K134-V187 HydrophobicContact CD-CG2 4.47Å; K134-V187 PolarHBondContact O-N 3.37Å |
| 135 | H | 90 | Very high | 90.2 | Very high | 13 Ų | 13 | 19.4 Ų | 19.4 | 6% | 0.06 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -85.8 | -30 | 178.2 | -59 | -52.2 | 0 | 0 | 0 | 111.8 | L102 L130 G133 V187 F189 Y200 | L102-H135 HydrophobicContact CD1-CB 4.25Å; L102-H135 WeakPolarHBondContact CD2-O 3.39Å; L130-H135 HydrophobicContact CB-CB 4.33Å; L130-H135 HydrophobicContact CD2-CB 3.91Å; L130-H135 WeakPolarHBondContact O-CB 3.35Å; L130-H135 PolarHBondContact O-N 2.94Å; G133-H135 PolarHBondContact O-CE1 3.05Å; G133-H135 PolarHBondContact O-N 2.76Å; H135-V187 PolarHBondContact ND1-O 2.8Å; H135-F189 HydrophobicContact CB-CD2 4.26Å; H135-F189 AromaticContact CD2-CD2 3.56Å; H135-F189 AromaticContact CD2-CE2 3.94Å; H135-F189 AromaticContact CE1-CD2 3.88Å; H135-F189 AromaticContact CG-CD2 3.64Å; H135-F189 AromaticContact ND1-CD2 3.83Å; H135-F189 AromaticContact NE2-CD2 3.71Å; H135-Y200 AromaticContact CD2-CZ 3.96Å; H135-Y200 AromaticContact NE2-CZ 3.63Å; H135-Y200 PolarHBondContact NE2-OH 3.34Å |
| 136 | A | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -144.5 | 163.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L110 V112 L130 L131 | L110-A136 HydrophobicContact CB-CB 3.92Å; L110-A136 HydrophobicContact CD2-CB 3.96Å; L110-A136 HydrophobicContact CG-CB 3.84Å; L110-A136 CarbonylContact O-C 3.55Å; L110-A136 VanDerWaalsContact O-CA 3.25Å; L110-A136 WeakPolarHBondContact O-CA 3.32Å; L110-A136 WeakPolarHBondContact O-CB 2.93Å; V112-A136 HydrophobicContact CG2-CB 4.13Å; L130-A136 HydrophobicContact CB-CB 3.98Å; L130-A136 PolarHBondContact O-N 2.92Å; L131-A136 WeakPolarHBondContact CA-O 3.25Å; L131-A136 WeakPolarHBondContact CD1-O 3.43Å | ||
| 137 | L | 94 | Very high | 91.2 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 156.7 | 160.5 | -51.7 | 174.3 | 0 | 0 | 0 | 108.2 | L110 I111 V112 L147 E153 F160 L175 F186 | L110-L137 PolarHBondContact O-N 2.87Å; I111-L137 CarbonylContact C-O 3.58Å; I111-L137 WeakPolarHBondContact CA-O 3.49Å; I111-L137 HydrophobicContact CG1-CB 4.33Å; I111-L137 HydrophobicContact CG1-CD1 4.45Å; V112-L137 PolarHBondContact N-O 3.22Å; L137-L147 HydrophobicContact CB-CD2 4.2Å; L137-L147 HydrophobicContact CD1-CD1 4.3Å; L137-L147 HydrophobicContact CD1-CD2 4.37Å; L137-E153 HydrophobicContact CB-CG 4.24Å; L137-E153 WeakPolarHBondContact CB-OE1 3.48Å; L137-E153 WeakPolarHBondContact CD2-OE1 3.31Å; L137-F160 HydrophobicContact CD2-CD1 4.36Å; L137-F160 HydrophobicContact CD2-CD2 3.44Å; L137-F160 VanDerWaalsContact CD2-CD2 3.44Å; L137-F160 HydrophobicContact CD2-CE1 4.4Å; L137-F160 HydrophobicContact CD2-CE2 3.5Å; L137-F160 VanDerWaalsContact CD2-CE2 3.5Å; L137-F160 HydrophobicContact CD2-CG 3.91Å; L137-F160 HydrophobicContact CD2-CZ 3.99Å; L137-L175 HydrophobicContact CD1-CD2 3.46Å; L137-L175 VanDerWaalsContact CD1-CD2 3.46Å; L137-L175 HydrophobicContact CD1-CG 4.43Å; L137-F186 HydrophobicContact CD1-CZ 4.04Å; L137-F186 HydrophobicContact CD2-CE1 4.18Å; L137-F186 HydrophobicContact CD2-CZ 3.98Å; L137-F186 HydrophobicContact CG-CE1 3.99Å; L137-F186 HydrophobicContact CG-CZ 3.8Å |
| 138 | V | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 137.4 | -179 | -172.7 | 0 | 0 | 0 | 0 | 110.5 | V112 V114 A127 L131 E153 Y156 | V112-V138 HydrophobicContact CB-CG2 4.36Å; V112-V138 VanDerWaalsContact O-CA 3.31Å; V112-V138 WeakPolarHBondContact O-CA 3.39Å; V114-V138 HydrophobicContact CG2-CG1 3.67Å; A127-V138 HydrophobicContact CB-CG1 3.81Å; A127-V138 HydrophobicContact CB-CG2 3.91Å; A127-V138 VanDerWaalsContact O-CG2 3.25Å; A127-V138 WeakPolarHBondContact O-CG2 3.42Å; L131-V138 HydrophobicContact CB-CG2 3.76Å; L131-V138 HydrophobicContact CD1-CG2 4.38Å; L131-V138 HydrophobicContact CD2-CB 4.27Å; L131-V138 HydrophobicContact CD2-CG2 4.21Å; L131-V138 HydrophobicContact CG-CG2 4.34Å; V138-E153 PolarHBondContact N-OE2 2.99Å; V138-Y156 HydrophobicContact CB-CD2 3.97Å; V138-Y156 HydrophobicContact CB-CE2 4.48Å; V138-Y156 HydrophobicContact CB-CG 4.41Å; V138-Y156 HydrophobicContact CG1-CD2 3.59Å; V138-Y156 HydrophobicContact CG1-CE2 3.61Å; V138-Y156 HydrophobicContact CG1-CG 4.24Å |
| 139 | C | 93.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 178 | 173.2 | 69.9 | 0 | 0 | 0 | 0 | 110.3 | V112 V113 V114 S143 L147 | V112-C139 PolarHBondContact O-N 3.33Å; V113-C139 CarbonylContact C-O 3.59Å; V113-C139 VanDerWaalsContact CA-O 3.3Å; V113-C139 WeakPolarHBondContact CA-O 3.13Å; V114-C139 PolarHBondContact N-O 3.41Å; C139-S143 WeakPolarHBondContact CB-OG 3.21Å; C139-L147 HydrophobicContact CB-CD2 4.13Å |
| 140 | T | 92.9 | Very high | 92 | Very high | 11 Ų | 11 | 22.3 Ų | 22.3 | 7% | 0.067 | 12% | 0.12 | C | C | . | . | trans | -103.8 | 171.3 | 164.9 | 67 | 0 | 0 | 0 | 0 | 108.5 | D116 A142 S143 L144 T155 Y156 | D116-T140 HydrophobicContact CB-CG2 4.27Å; T140-A142 VanDerWaalsContact C-N 3.25Å; T140-A142 PolarHBondContact O-N 3.01Å; T140-S143 PolarHBondContact N-OG 2.77Å; T140-S143 PolarHBondContact O-N 3.33Å; T140-S143 PolarHBondContact O-OG 3.38Å; T140-S143 PolarHBondContact OG1-OG 3.06Å; T140-L144 PolarHBondContact O-N 2.95Å; T140-T155 HydrophobicContact CG2-CG2 4.23Å; T140-Y156 HydrophobicContact CG2-CE2 4.32Å | ||
| 141 | P | 93.7 | Very high | 92 | Very high | 9 Ų | 9 | 22.3 Ų | 22.3 | 6% | 0.058 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -52.6 | -47.3 | 173.6 | -27.9 | 36.2 | 0 | 0 | 0 | 111.4 | F13 E19 V113 V114 S143 L144 | F13-P141 HydrophobicContact CE2-CG 3.59Å; F13-P141 HydrophobicContact CZ-CG 3.53Å; E19-P141 HydrophobicContact CG-CB 3.86Å; E19-P141 VanDerWaalsContact CG-O 3.27Å; E19-P141 WeakPolarHBondContact CG-O 3.3Å; V113-P141 HydrophobicContact CG1-CG 3.87Å; V114-P141 WeakPolarHBondContact O-CD 3.42Å; P141-S143 VanDerWaalsContact C-N 3.25Å; P141-S143 PolarHBondContact O-N 3.14Å; P141-L144 WeakPolarHBondContact O-CB 3.49Å; P141-L144 PolarHBondContact O-N 3.02Å; P141-L144 VanDerWaalsContact O-N 3.16Å |
| 142 | A | 92.8 | Very high | 91.7 | Very high | 77 Ų | 77 | 23.7 Ų | 23.7 | 64% | 0.636 | 13% | 0.128 | S | C | * | . | H | α-helix | trans | -61.9 | -28.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | T140 | T140-A142 VanDerWaalsContact C-N 3.25Å; T140-A142 PolarHBondContact O-N 3.01Å |
| 143 | S | 93.2 | Very high | 90.8 | Very high | 6 Ų | 6 | 21.3 Ų | 21.3 | 4% | 0.042 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -98.4 | -5.4 | 178.8 | 58.8 | 0 | 0 | 0 | 0 | 114.6 | C139 T140 P141 N145 H146 L147 T155 | C139-S143 WeakPolarHBondContact CB-OG 3.21Å; T140-S143 PolarHBondContact N-OG 2.77Å; T140-S143 PolarHBondContact O-N 3.33Å; T140-S143 PolarHBondContact O-OG 3.38Å; T140-S143 PolarHBondContact OG1-OG 3.06Å; P141-S143 VanDerWaalsContact C-N 3.25Å; P141-S143 PolarHBondContact O-N 3.14Å; S143-N145 PolarHBondContact O-N 2.9Å; S143-H146 WeakPolarHBondContact O-CB 3.46Å; S143-H146 PolarHBondContact O-N 3.01Å; S143-L147 PolarHBondContact O-N 3.41Å; S143-T155 WeakPolarHBondContact CB-OG1 3.29Å; S143-T155 PolarHBondContact OG-OG1 3.25Å |
| 144 | L | 95.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.6 | -50.4 | -179.1 | 175.8 | 58.8 | 0 | 0 | 0 | 112.4 | L16 E19 F25 I90 I111 V113 T140 P141 H146 L147 L148 | L16-L144 HydrophobicContact CD1-CD2 3.51Å; E19-L144 HydrophobicContact CB-CD2 4.43Å; F25-L144 HydrophobicContact CD2-CD2 4.16Å; F25-L144 HydrophobicContact CD2-CG 4.4Å; F25-L144 HydrophobicContact CE2-CD2 3.82Å; F25-L144 HydrophobicContact CE2-CG 4.23Å; I90-L144 HydrophobicContact CD1-CD1 4.47Å; I90-L144 HydrophobicContact CG2-CD1 4.22Å; I90-L144 HydrophobicContact CG2-CD2 4.33Å; I111-L144 HydrophobicContact CG2-CD1 4.24Å; V113-L144 HydrophobicContact CG2-CD1 4.36Å; V113-L144 HydrophobicContact CG2-CD2 4.41Å; T140-L144 PolarHBondContact O-N 2.95Å; P141-L144 WeakPolarHBondContact O-CB 3.49Å; P141-L144 PolarHBondContact O-N 3.02Å; P141-L144 VanDerWaalsContact O-N 3.16Å; L144-H146 VanDerWaalsContact C-N 3.31Å; L144-H146 PolarHBondContact O-N 3.33Å; L144-L147 WeakPolarHBondContact O-CB 3.48Å; L144-L147 PolarHBondContact O-N 3.32Å; L144-L148 HydrophobicContact CD1-CD1 4.5Å; L144-L148 HydrophobicContact CD1-CG 4.44Å; L144-L148 WeakPolarHBondContact O-CG 3.22Å; L144-L148 PolarHBondContact O-N 3.05Å |
| 145 | N | 94.5 | Very high | 88.8 | Confident | 16 Ų | 16 | 24.5 Ų | 24.5 | 9% | 0.086 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 178.9 | -80 | -51.5 | 0 | 0 | 0 | 111.3 | E19 F25 S143 L147 L148 W149 | E19-N145 PolarHBondContact OE2-ND2 3.41Å; F25-N145 WeakPolarHBondContact CA-OD1 3.26Å; F25-N145 VanDerWaalsContact CB-OD1 3.24Å; F25-N145 WeakPolarHBondContact CB-OD1 3.38Å; F25-N145 PolarHBondContact N-OD1 3.25Å; S143-N145 PolarHBondContact O-N 2.9Å; N145-L147 PolarHBondContact O-N 2.82Å; N145-L148 PolarHBondContact O-N 3.41Å; N145-W149 WeakPolarHBondContact O-CB 3.4Å; N145-W149 PolarHBondContact O-N 3Å; N145-W149 VanDerWaalsContact O-N 3.1Å |
| 146 | H | 93.3 | Very high | 88.1 | Confident | 81 Ų | 81 | 25.1 Ų | 25.1 | 38% | 0.375 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -58.5 | -47.9 | 174.2 | -174.9 | 78.9 | 0 | 0 | 0 | 111.7 | S143 L144 L148 W149 T150 N152 | S143-H146 WeakPolarHBondContact O-CB 3.46Å; S143-H146 PolarHBondContact O-N 3.01Å; L144-H146 VanDerWaalsContact C-N 3.31Å; L144-H146 PolarHBondContact O-N 3.33Å; H146-L148 PolarHBondContact O-N 3.17Å; H146-W149 PolarHBondContact O-N 3.43Å; H146-W149 VanDerWaalsContact O-N 3.1Å; H146-T150 PolarHBondContact CD2-OG1 3.1Å; H146-T150 VanDerWaalsContact CE1-CG2 3.49Å; H146-T150 WeakPolarHBondContact CE1-CG2 3.28Å; H146-T150 PolarHBondContact NE2-OG1 3.21Å; H146-T150 VanDerWaalsContact NE2-OG1 3.16Å; H146-T150 PolarHBondContact O-N 2.9Å; H146-T150 PolarHBondContact O-OG1 3.34Å; H146-N152 PolarHBondContact CD2-O 3.49Å |
| 147 | L | 93.9 | Very high | 87 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.3 | -45.9 | 178.2 | 175.9 | 60.6 | 0 | 0 | 0 | 112 | I111 L137 C139 S143 L144 N145 W149 G151 E153 | I111-L147 HydrophobicContact CD1-CD2 4.12Å; I111-L147 HydrophobicContact CG1-CD2 4.39Å; I111-L147 HydrophobicContact CG2-CD2 3.95Å; L137-L147 HydrophobicContact CB-CD2 4.2Å; L137-L147 HydrophobicContact CD1-CD1 4.3Å; L137-L147 HydrophobicContact CD1-CD2 4.37Å; C139-L147 HydrophobicContact CB-CD2 4.13Å; S143-L147 PolarHBondContact O-N 3.41Å; L144-L147 WeakPolarHBondContact O-CB 3.48Å; L144-L147 PolarHBondContact O-N 3.32Å; N145-L147 PolarHBondContact O-N 2.82Å; L147-W149 VanDerWaalsContact C-N 3.25Å; L147-W149 PolarHBondContact O-N 3.1Å; L147-G151 VanDerWaalsContact O-CA 3.22Å; L147-G151 WeakPolarHBondContact O-CA 3.3Å; L147-G151 PolarHBondContact O-N 2.88Å; L147-E153 HydrophobicContact CD1-CG 3.63Å; L147-E153 HydrophobicContact CD2-CG 4.23Å |
| 148 | L | 94.5 | Very high | 85.8 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.3 | -32.4 | 178.1 | -66.5 | 178.4 | 0 | 0 | 0 | 112.6 | F25 L29 L32 I111 L144 N145 H146 L175 | F25-L148 HydrophobicContact CD2-CD1 3.55Å; F25-L148 HydrophobicContact CE2-CD1 3.6Å; F25-L148 HydrophobicContact CG-CD1 4.46Å; L29-L148 HydrophobicContact CD2-CD1 4.25Å; L29-L148 HydrophobicContact CD2-CD2 4.1Å; L29-L148 HydrophobicContact CG-CD1 4.32Å; L32-L148 HydrophobicContact CD1-CB 4.49Å; L32-L148 HydrophobicContact CD1-CD2 4.02Å; I111-L148 HydrophobicContact CD1-CD2 4.14Å; L144-L148 HydrophobicContact CD1-CD1 4.5Å; L144-L148 HydrophobicContact CD1-CG 4.44Å; L144-L148 WeakPolarHBondContact O-CG 3.22Å; L144-L148 PolarHBondContact O-N 3.05Å; N145-L148 PolarHBondContact O-N 3.41Å; H146-L148 PolarHBondContact O-N 3.17Å; L148-L175 HydrophobicContact CD2-CD1 4.35Å |
| 149 | W | 92.9 | Very high | 84.6 | Confident | 91 Ų | 91 | 38.4 Ų | 38.4 | 35% | 0.345 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -87.5 | -28.9 | -175.8 | -84.9 | 78.2 | 0 | 0 | 0 | 114.9 | E24 E27 R31 N145 H146 L147 I171 | E24-W149 PolarHBondContact O-NE1 2.68Å; E27-W149 HydrophobicContact CB-CH2 4.49Å; E27-W149 HydrophobicContact CB-CZ2 3.75Å; E27-W149 WeakPolarHBondContact OE2-CZ2 3.27Å; R31-W149 PolarHBondContact NH1-O 3.34Å; N145-W149 WeakPolarHBondContact O-CB 3.4Å; N145-W149 PolarHBondContact O-N 3Å; N145-W149 VanDerWaalsContact O-N 3.1Å; H146-W149 PolarHBondContact O-N 3.43Å; H146-W149 VanDerWaalsContact O-N 3.1Å; L147-W149 VanDerWaalsContact C-N 3.25Å; L147-W149 PolarHBondContact O-N 3.1Å; W149-I171 WeakPolarHBondContact O-CD1 3.14Å |
| 150 | T | 91.2 | Very high | 83.4 | Confident | 28 Ų | 28 | 39.2 Ų | 39.2 | 17% | 0.172 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -118.9 | -15.2 | -173.1 | 69.8 | 0 | 0 | 0 | 0 | 113.5 | H146 N152 | H146-T150 PolarHBondContact CD2-OG1 3.1Å; H146-T150 VanDerWaalsContact CE1-CG2 3.49Å; H146-T150 WeakPolarHBondContact CE1-CG2 3.28Å; H146-T150 PolarHBondContact NE2-OG1 3.21Å; H146-T150 VanDerWaalsContact NE2-OG1 3.16Å; H146-T150 PolarHBondContact O-N 2.9Å; H146-T150 PolarHBondContact O-OG1 3.34Å; T150-N152 PolarHBondContact O-N 3.1Å; T150-N152 WeakPolarHBondContact OG1-CB 3.38Å; T150-N152 PolarHBondContact OG1-N 2.76Å; T150-N152 VanDerWaalsContact OG1-N 3.16Å |
| 151 | G | 88.5 | Confident | 81.9 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 69.6 | 9.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L147 | L147-G151 VanDerWaalsContact O-CA 3.22Å; L147-G151 WeakPolarHBondContact O-CA 3.3Å; L147-G151 PolarHBondContact O-N 2.88Å |
| 152 | N | 83.3 | Confident | 80.3 | Confident | 33 Ų | 33 | 45.5 Ų | 45.5 | 18% | 0.176 | 26% | 0.263 | C | S | . | . | trans | -107.2 | 125.7 | -177 | -169.7 | -10.2 | 0 | 0 | 0 | 111.5 | H146 T150 S154 C162 | H146-N152 PolarHBondContact CD2-O 3.49Å; T150-N152 PolarHBondContact O-N 3.1Å; T150-N152 WeakPolarHBondContact OG1-CB 3.38Å; T150-N152 PolarHBondContact OG1-N 2.76Å; T150-N152 VanDerWaalsContact OG1-N 3.16Å; N152-S154 VanDerWaalsContact C-N 3.33Å; N152-S154 PolarHBondContact O-N 3.24Å; N152-S154 VanDerWaalsContact O-N 3.09Å; N152-C162 HydrophobicContact CB-CB 4.17Å | ||
| 153 | E | 67.1 | Low | 78.8 | Confident | 8 Ų | 8 | 47.2 Ų | 47.2 | 4% | 0.037 | 26% | 0.261 | C | S | . | . | trans | -79.3 | 83.3 | 169.3 | -63.7 | 175.8 | -121.5 | 0 | 0 | 108.3 | L131 L137 V138 L147 T155 Y156 S158 | L131-E153 WeakPolarHBondContact CD1-OE1 3.45Å; L131-E153 WeakPolarHBondContact CD1-OE2 3.17Å; L137-E153 HydrophobicContact CB-CG 4.24Å; L137-E153 WeakPolarHBondContact CB-OE1 3.48Å; L137-E153 WeakPolarHBondContact CD2-OE1 3.31Å; V138-E153 PolarHBondContact N-OE2 2.99Å; L147-E153 HydrophobicContact CD1-CG 3.63Å; L147-E153 HydrophobicContact CD2-CG 4.23Å; E153-T155 PolarHBondContact O-N 3.33Å; E153-Y156 PolarHBondContact O-N 3.2Å; E153-S158 PolarHBondContact OE1-OG 3.42Å | ||
| 154 | S | 61.9 | Low | 77.4 | Confident | 70 Ų | 70 | 55.5 Ų | 55.5 | 49% | 0.49 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -60 | -20 | -175.6 | 47.8 | 0 | 0 | 0 | 0 | 114.2 | N152 | N152-S154 VanDerWaalsContact C-N 3.33Å; N152-S154 PolarHBondContact O-N 3.24Å; N152-S154 VanDerWaalsContact O-N 3.09Å |
| 155 | T | 72.2 | Confident | 76.5 | Confident | 68 Ų | 68 | 62.8 Ų | 62.8 | 42% | 0.417 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -95.2 | -37.2 | -174.7 | -46.4 | 0 | 0 | 0 | 0 | 113.3 | T140 S143 E153 | T140-T155 HydrophobicContact CG2-CG2 4.23Å; S143-T155 WeakPolarHBondContact CB-OG1 3.29Å; S143-T155 PolarHBondContact OG-OG1 3.25Å; E153-T155 PolarHBondContact O-N 3.33Å |
| 156 | Y | 76.3 | Confident | 76 | Confident | 26 Ų | 26 | 63.3 Ų | 63.3 | 10% | 0.102 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -121.7 | 127.9 | -169.6 | -64.6 | -75.1 | 0 | 0 | 0 | 111.1 | E124 L128 V138 T140 E153 S158 | E124-Y156 VanDerWaalsContact OE1-CE1 3.28Å; E124-Y156 WeakPolarHBondContact OE1-CE1 3.28Å; E124-Y156 PolarHBondContact OE1-OH 3.19Å; L128-Y156 HydrophobicContact CD2-CD1 3.54Å; L128-Y156 HydrophobicContact CD2-CE1 3.94Å; L128-Y156 HydrophobicContact CD2-CG 4.28Å; V138-Y156 HydrophobicContact CB-CD2 3.97Å; V138-Y156 HydrophobicContact CB-CE2 4.48Å; V138-Y156 HydrophobicContact CB-CG 4.41Å; V138-Y156 HydrophobicContact CG1-CD2 3.59Å; V138-Y156 HydrophobicContact CG1-CE2 3.61Å; V138-Y156 HydrophobicContact CG1-CG 4.24Å; T140-Y156 HydrophobicContact CG2-CE2 4.32Å; E153-Y156 PolarHBondContact O-N 3.2Å; Y156-S158 PolarHBondContact O-N 3.44Å |
| 157 | P | 68.9 | Low | 75.8 | Confident | 126 Ų | 126 | 63.7 Ų | 63.7 | 82% | 0.818 | 35% | 0.347 | S | S | * | . | trans | -67.4 | 109.8 | 179 | 25.2 | -30.4 | 0 | 0 | 0 | 109.9 | ||||
| 158 | S | 68.8 | Low | 75.7 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | trans | -105.2 | 154 | 178.8 | 87.2 | 0 | 0 | 0 | 0 | 112.1 | E153 Y156 F160 | E153-S158 PolarHBondContact OE1-OG 3.42Å; Y156-S158 PolarHBondContact O-N 3.44Å; S158-F160 PolarHBondContact O-N 3.43Å; S158-F160 PolarHBondContact OG-N 3.24Å | ||
| 159 | Q | 68.1 | Low | 75.6 | Confident | 125 Ų | 125 | 70.3 Ų | 70.3 | 58% | 0.584 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -80.9 | 0.2 | 171.8 | -66 | -174.5 | 14.8 | 0 | 0 | 112.7 | ||
| 160 | F | 69 | Low | 75.5 | Confident | 17 Ų | 17 | 68.9 Ų | 68.9 | 8% | 0.075 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -73.2 | 132.8 | 171.1 | -66.4 | -86.2 | 0 | 0 | 0 | 107.7 | L131 K134 L137 S158 C162 L174 F186 | L131-F160 HydrophobicContact CD1-CD2 4.47Å; L131-F160 HydrophobicContact CD1-CE2 4.41Å; K134-F160 HydrophobicContact CB-CE1 4.36Å; K134-F160 HydrophobicContact CB-CE2 4.02Å; K134-F160 HydrophobicContact CB-CZ 3.63Å; K134-F160 HydrophobicContact CG-CE2 4.1Å; K134-F160 HydrophobicContact CG-CZ 4.04Å; L137-F160 HydrophobicContact CD2-CD1 4.36Å; L137-F160 HydrophobicContact CD2-CD2 3.44Å; L137-F160 VanDerWaalsContact CD2-CD2 3.44Å; L137-F160 HydrophobicContact CD2-CE1 4.4Å; L137-F160 HydrophobicContact CD2-CE2 3.5Å; L137-F160 VanDerWaalsContact CD2-CE2 3.5Å; L137-F160 HydrophobicContact CD2-CG 3.91Å; L137-F160 HydrophobicContact CD2-CZ 3.99Å; S158-F160 PolarHBondContact O-N 3.43Å; S158-F160 PolarHBondContact OG-N 3.24Å; F160-C162 PolarHBondContact O-N 3.16Å; F160-C162 PolarHBondContact O-SG 3.03Å; F160-L174 HydrophobicContact CD1-CD1 3.98Å; F160-L174 HydrophobicContact CE1-CD1 4.44Å; F160-F186 HydrophobicContact CE1-CD1 4.37Å; F160-F186 HydrophobicContact CE1-CD2 4.2Å; F160-F186 HydrophobicContact CE1-CE1 4.44Å; F160-F186 HydrophobicContact CE1-CE2 4.26Å; F160-F186 HydrophobicContact CE1-CG 4.26Å; F160-F186 HydrophobicContact CE1-CZ 4.38Å; F160-F186 AromaticContact CZ-CD1 3.93Å; F160-F186 HydrophobicContact CZ-CD1 3.93Å; F160-F186 AromaticContact CZ-CE1 3.99Å; F160-F186 HydrophobicContact CZ-CE1 3.99Å; F160-F186 HydrophobicContact CZ-CG 4.22Å; F160-F186 HydrophobicContact CZ-CZ 4.34Å |
| 161 | V | 61.2 | Low | 75.6 | Confident | 123 Ų | 123 | 67.8 Ų | 67.8 | 75% | 0.745 | 38% | 0.383 | S | S | * | . | trans | -71.3 | 96.3 | -178.8 | -179.9 | 0 | 0 | 0 | 0 | 108.1 | M166 | V161-M166 WeakPolarHBondContact O-CE 3.4Š| ||
| 162 | C | 59.6 | Low | 75.9 | Confident | 30 Ų | 30 | 71.2 Ų | 71.2 | 20% | 0.203 | 40% | 0.398 | C | S | . | . | trans | -105 | 118.1 | 179.9 | -46.7 | 0 | 0 | 0 | 0 | 109.2 | N152 F160 | N152-C162 HydrophobicContact CB-CB 4.17Å; F160-C162 PolarHBondContact O-N 3.16Å; F160-C162 PolarHBondContact O-SG 3.03Å | ||
| 163 | N | 61 | Low | 76.4 | Confident | 113 Ų | 113 | 74.6 Ų | 74.6 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | trans | -107.3 | 142.3 | 169 | -80.6 | -9.6 | 0 | 0 | 0 | 109.3 | N165 M166 | N163-N165 PolarHBondContact O-N 2.92Å; N163-M166 PolarHBondContact O-N 3.47Å; N163-M166 VanDerWaalsContact O-N 3.1Å | ||
| 164 | K | 64.3 | Low | 77.6 | Confident | 179 Ų | 179 | 74.8 Ų | 74.8 | 78% | 0.778 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -25.2 | -179.6 | -73.1 | -173.6 | 177.2 | -178 | 0 | 114.1 | ||
| 165 | N | 76.7 | Confident | 79.2 | Confident | 153 Ų | 153 | 71.5 Ų | 71.5 | 82% | 0.818 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.6 | 45.2 | -179.1 | -62.9 | -15.1 | 0 | 0 | 0 | 111.5 | N163 P167 | N163-N165 PolarHBondContact O-N 2.92Å; N165-P167 WeakPolarHBondContact O-CD 3.32Å |
| 166 | M | 82.6 | Confident | 80.2 | Confident | 28 Ų | 28 | 68.3 Ų | 68.3 | 14% | 0.138 | 37% | 0.367 | C | S | . | . | trans | -61 | 127 | 176.3 | -173.2 | 177 | -95.7 | 0 | 0 | 110.1 | V161 N163 E170 I171 | V161-M166 WeakPolarHBondContact O-CE 3.4Å; N163-M166 PolarHBondContact O-N 3.47Å; N163-M166 VanDerWaalsContact O-N 3.1Å; M166-E170 HydrophobicContact CE-CB 4.49Å; M166-E170 HydrophobicContact CE-CG 3.49Å; M166-E170 VanDerWaalsContact CE-CG 3.49Å; M166-E170 HydrophobicContact CG-CB 3.55Å; M166-E170 HydrophobicContact CG-CG 3.57Å; M166-E170 HydrophobicContact SD-CB 3.97Å; M166-E170 HydrophobicContact SD-CG 3.57Å; M166-E170 VanDerWaalsContact SD-CG 3.57Å; M166-I171 HydrophobicContact CB-CD1 4.48Å; M166-I171 HydrophobicContact CB-CG1 4Å; M166-I171 HydrophobicContact CG-CG1 3.76Å; M166-I171 HydrophobicContact SD-CG1 3.83Å | ||
| 167 | P | 90.8 | Very high | 81.1 | Confident | 88 Ų | 88 | 68.4 Ų | 68.4 | 57% | 0.571 | 37% | 0.371 | S | S | * | . | trans | -60.9 | 148 | 176.1 | -22 | 32.3 | 0 | 0 | 0 | 111.4 | N165 A169 E170 I171 | N165-P167 WeakPolarHBondContact O-CD 3.32Å; P167-A169 PolarHBondContact O-N 3.37Å; P167-A169 VanDerWaalsContact O-N 3.08Å; P167-E170 WeakPolarHBondContact O-CA 3.47Å; P167-E170 WeakPolarHBondContact O-CB 3.35Å; P167-E170 PolarHBondContact O-N 2.93Å; P167-I171 PolarHBondContact O-N 3.09Å; P167-I171 VanDerWaalsContact O-N 3.11Å | ||
| 168 | L | 91 | Very high | 82.3 | Confident | 63 Ų | 63 | 70.1 Ų | 70.1 | 33% | 0.33 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -53.9 | -34.9 | 179.5 | 177 | 59.1 | 0 | 0 | 0 | 113.2 | R31 E170 I171 K172 | R31-L168 HydrophobicContact CG-CD1 4.34Å; L168-E170 PolarHBondContact O-N 2.97Å; L168-I171 PolarHBondContact O-N 3.16Å; L168-K172 HydrophobicContact CD1-CG 4.2Å; L168-K172 HydrophobicContact CG-CD 4.38Å; L168-K172 HydrophobicContact CG-CG 4.42Å; L168-K172 WeakPolarHBondContact O-CB 3.46Å; L168-K172 WeakPolarHBondContact O-CG 3.42Å; L168-K172 PolarHBondContact O-N 3.18Å |
| 169 | A | 92.4 | Very high | 83.3 | Confident | 76 Ų | 76 | 70.3 Ų | 70.3 | 63% | 0.628 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -59.6 | -36.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | P167 K172 R173 | P167-A169 PolarHBondContact O-N 3.37Å; P167-A169 VanDerWaalsContact O-N 3.08Å; A169-K172 WeakPolarHBondContact O-CB 3.3Å; A169-R173 PolarHBondContact O-N 3.19Å |
| 170 | E | 91.6 | Very high | 84.4 | Confident | 62 Ų | 62 | 67.2 Ų | 67.2 | 29% | 0.29 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -80.2 | -35.5 | -179.1 | -171.9 | 68 | -179.6 | 0 | 0 | 111.5 | M166 P167 L168 K172 R173 L174 | M166-E170 HydrophobicContact CE-CB 4.49Å; M166-E170 HydrophobicContact CE-CG 3.49Å; M166-E170 VanDerWaalsContact CE-CG 3.49Å; M166-E170 HydrophobicContact CG-CB 3.55Å; M166-E170 HydrophobicContact CG-CG 3.57Å; M166-E170 HydrophobicContact SD-CB 3.97Å; M166-E170 HydrophobicContact SD-CG 3.57Å; M166-E170 VanDerWaalsContact SD-CG 3.57Å; P167-E170 WeakPolarHBondContact O-CA 3.47Å; P167-E170 WeakPolarHBondContact O-CB 3.35Å; P167-E170 PolarHBondContact O-N 2.93Å; L168-E170 PolarHBondContact O-N 2.97Å; E170-K172 VanDerWaalsContact C-N 3.31Å; E170-K172 PolarHBondContact O-N 3.08Å; E170-R173 WeakPolarHBondContact O-CB 3.29Å; E170-R173 PolarHBondContact O-N 3.48Å; E170-R173 IonicContact OE1-CZ 3.83Å; E170-R173 IonicContact OE1-NE 2.91Å; E170-R173 PolarHBondContact OE1-NE 3.01Å; E170-R173 IonicContact OE1-NH2 3.98Å; E170-R173 PolarHBondContact OE1-NH2 3.05Å; E170-R173 IonicContact OE2-CZ 3.84Å; E170-R173 IonicContact OE2-NE 2.64Å; E170-R173 PolarHBondContact OE2-NE 3.48Å; E170-R173 IonicContact OE2-NH2 3.21Å; E170-L174 PolarHBondContact O-N 2.62Å |
| 171 | I | 93.1 | Very high | 85.6 | Confident | 4 Ų | 4 | 66.7 Ų | 66.7 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.8 | -40.8 | 170.4 | -50 | 174.3 | 0 | 0 | 0 | 110 | L32 W149 M166 P167 L168 R173 L174 L175 | L32-I171 HydrophobicContact CD2-CB 4.32Å; L32-I171 HydrophobicContact CD2-CG2 3.62Å; W149-I171 WeakPolarHBondContact O-CD1 3.14Å; M166-I171 HydrophobicContact CB-CD1 4.48Å; M166-I171 HydrophobicContact CB-CG1 4Å; M166-I171 HydrophobicContact CG-CG1 3.76Å; M166-I171 HydrophobicContact SD-CG1 3.83Å; P167-I171 PolarHBondContact O-N 3.09Å; P167-I171 VanDerWaalsContact O-N 3.11Å; L168-I171 PolarHBondContact O-N 3.16Å; I171-R173 VanDerWaalsContact C-N 3.35Å; I171-R173 PolarHBondContact O-N 3.33Å; I171-L174 PolarHBondContact O-N 3.04Å; I171-L175 HydrophobicContact CG2-CD1 4.23Å; I171-L175 PolarHBondContact O-N 3.14Å |
| 172 | K | 94.3 | Very high | 87 | Confident | 73 Ų | 73 | 66.4 Ų | 66.4 | 32% | 0.317 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 172.3 | -80.5 | -178.8 | 170.3 | -168.8 | 0 | 112.4 | R31 L32 L168 A169 E170 L174 G176 | R31-K172 WeakPolarHBondContact O-CE 3.26Å; L32-K172 HydrophobicContact CD2-CG 4.41Å; L168-K172 HydrophobicContact CD1-CG 4.2Å; L168-K172 HydrophobicContact CG-CD 4.38Å; L168-K172 HydrophobicContact CG-CG 4.42Å; L168-K172 WeakPolarHBondContact O-CB 3.46Å; L168-K172 WeakPolarHBondContact O-CG 3.42Å; L168-K172 PolarHBondContact O-N 3.18Å; A169-K172 WeakPolarHBondContact O-CB 3.3Å; E170-K172 VanDerWaalsContact C-N 3.31Å; E170-K172 PolarHBondContact O-N 3.08Å; K172-L174 VanDerWaalsContact C-N 3.34Å; K172-G176 WeakPolarHBondContact O-CA 3.24Å; K172-G176 PolarHBondContact O-N 3.33Å |
| 173 | R | 93.3 | Very high | 88.5 | Confident | 105 Ų | 105 | 71.3 Ų | 71.3 | 40% | 0.396 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.6 | -47.2 | 172.8 | -172.8 | 178 | 79.8 | 101.2 | -0.8 | 110.3 | R109 A169 E170 I171 V179 Q183 A184 | R109-R173 PolarHBondContact NH2-O 3Å; A169-R173 PolarHBondContact O-N 3.19Å; E170-R173 WeakPolarHBondContact O-CB 3.29Å; E170-R173 PolarHBondContact O-N 3.48Å; E170-R173 IonicContact OE1-CZ 3.83Å; E170-R173 IonicContact OE1-NE 2.91Å; E170-R173 PolarHBondContact OE1-NE 3.01Å; E170-R173 IonicContact OE1-NH2 3.98Å; E170-R173 PolarHBondContact OE1-NH2 3.05Å; E170-R173 IonicContact OE2-CZ 3.84Å; E170-R173 IonicContact OE2-NE 2.64Å; E170-R173 PolarHBondContact OE2-NE 3.48Å; E170-R173 IonicContact OE2-NH2 3.21Å; I171-R173 VanDerWaalsContact C-N 3.35Å; I171-R173 PolarHBondContact O-N 3.33Å; R173-V179 HydrophobicContact CG-CG1 4.26Å; R173-V179 HydrophobicContact CG-CG2 4.23Å; R173-Q183 PolarHBondContact NH1-O 3.48Å; R173-A184 WeakPolarHBondContact O-CB 3.4Å |
| 174 | L | 92.7 | Very high | 89.9 | Confident | 12 Ų | 12 | 66.1 Ų | 66.1 | 6% | 0.063 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -67.7 | -48 | -177.4 | -176.6 | 63.4 | 0 | 0 | 0 | 113.1 | R109 F160 E170 I171 K172 F186 | R109-L174 VanDerWaalsContact CD-O 3.28Å; R109-L174 WeakPolarHBondContact CD-O 3.36Å; R109-L174 PolarHBondContact NE-O 2.96Å; F160-L174 HydrophobicContact CD1-CD1 3.98Å; F160-L174 HydrophobicContact CE1-CD1 4.44Å; E170-L174 PolarHBondContact O-N 2.62Å; I171-L174 PolarHBondContact O-N 3.04Å; K172-L174 VanDerWaalsContact C-N 3.34Å; L174-F186 HydrophobicContact CD1-CE2 3.96Å; L174-F186 HydrophobicContact CD1-CZ 4.43Å; L174-F186 WeakPolarHBondContact O-CE2 3.45Å |
| 175 | L | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -115.4 | -18.7 | -168.6 | -70.9 | 174.1 | 0 | 0 | 0 | 114.5 | L32 Y34 I111 L137 L148 I171 | L32-L175 HydrophobicContact CD1-CB 3.84Å; L32-L175 HydrophobicContact CD1-CD1 4.16Å; L32-L175 HydrophobicContact CD2-CB 4.07Å; Y34-L175 WeakPolarHBondContact CE2-O 3.3Å; Y34-L175 PolarHBondContact OH-O 3.19Å; I111-L175 HydrophobicContact CD1-CD2 3.98Å; I111-L175 HydrophobicContact CG1-CD2 4.5Å; L137-L175 HydrophobicContact CD1-CD2 3.46Å; L137-L175 VanDerWaalsContact CD1-CD2 3.46Å; L137-L175 HydrophobicContact CD1-CG 4.43Å; L148-L175 HydrophobicContact CD2-CD1 4.35Å; I171-L175 HydrophobicContact CG2-CD1 4.23Å; I171-L175 PolarHBondContact O-N 3.14Å |
| 176 | G | 94.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -75.6 | 160.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L32 R109 K172 | L32-G176 WeakPolarHBondContact O-CA 3.25Å; R109-G176 PolarHBondContact NH1-O 3.2Å; R109-G176 PolarHBondContact NH2-O 2.8Å; K172-G176 WeakPolarHBondContact O-CA 3.24Å; K172-G176 PolarHBondContact O-N 3.33Å |
| 177 | P | 95.1 | Very high | 92.1 | Very high | 29 Ų | 29 | 54.8 Ų | 54.8 | 19% | 0.188 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -81.6 | -12.1 | -174.4 | 33.7 | -36 | 0 | 0 | 0 | 114 | A2 L32 Y34 S87 | A2-P177 HydrophobicContact CB-CB 3.87Å; A2-P177 HydrophobicContact CB-CG 3.56Å; L32-P177 VanDerWaalsContact O-CD 3.24Å; L32-P177 WeakPolarHBondContact O-CD 3.05Å; Y34-P177 HydrophobicContact CE1-CB 4.13Å; Y34-P177 HydrophobicContact CE1-CG 4.39Å; S87-P177 WeakPolarHBondContact OG-CB 3.46Å |
| 178 | E | 92.5 | Very high | 91.7 | Very high | 161 Ų | 161 | 51.7 Ų | 51.7 | 75% | 0.752 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -73.9 | -31.1 | -173.8 | -66.3 | -176.4 | 173.5 | 0 | 0 | 112.9 | ||
| 179 | V | 91.6 | Very high | 91 | Very high | 35 Ų | 35 | 48.8 Ų | 48.8 | 21% | 0.212 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -100.8 | 135 | 179.9 | -179.1 | 0 | 0 | 0 | 0 | 109 | R109 R173 Q183 A184 | R109-V179 VanDerWaalsContact CZ-O 3.25Å; R109-V179 PolarHBondContact NH1-O 3.46Å; R109-V179 PolarHBondContact NH2-O 2.77Å; R173-V179 HydrophobicContact CG-CG1 4.26Å; R173-V179 HydrophobicContact CG-CG2 4.23Å; V179-Q183 HydrophobicContact CG1-CB 3.62Å; V179-A184 HydrophobicContact CG1-CB 4.4Å |
| 180 | P | 91.4 | Very high | 89.9 | Confident | 59 Ų | 59 | 46.8 Ų | 46.8 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | trans | -61.4 | 144 | 170.5 | -23.9 | 34.3 | 0 | 0 | 0 | 111.9 | E182 Q183 A184 | P180-E182 VanDerWaalsContact C-N 3.26Å; P180-E182 PolarHBondContact O-N 3.43Å; P180-E182 VanDerWaalsContact O-N 3.14Å; P180-Q183 PolarHBondContact O-N 3.46Å; P180-A184 PolarHBondContact O-N 3.04Å | ||
| 181 | P | 92.6 | Very high | 88.7 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 5% | 0.045 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -49 | -42.4 | -179.8 | -27.4 | 31.4 | 0 | 0 | 0 | 114.4 | G106 R109 Q183 A184 G185 F186 | G106-P181 VanDerWaalsContact O-CD 3.27Å; G106-P181 WeakPolarHBondContact O-CD 3.4Å; R109-P181 HydrophobicContact CG-CB 4.27Å; R109-P181 HydrophobicContact CG-CG 4.16Å; P181-Q183 VanDerWaalsContact C-N 3.34Å; P181-Q183 PolarHBondContact O-N 3.15Å; P181-A184 CarbonylContact O-C 3.27Å; P181-A184 WeakPolarHBondContact O-CA 3.42Å; P181-A184 WeakPolarHBondContact O-CB 3.45Å; P181-A184 PolarHBondContact O-N 3.08Å; P181-G185 PolarHBondContact O-N 3.4Å; P181-F186 HydrophobicContact CB-CB 3.96Å; P181-F186 HydrophobicContact CB-CD2 4.33Å; P181-F186 HydrophobicContact CB-CG 4.29Å; P181-F186 WeakPolarHBondContact O-CB 3.49Å; P181-F186 WeakPolarHBondContact O-CD2 3.49Å; P181-F186 PolarHBondContact O-N 3.29Å |
| 182 | E | 90.9 | Very high | 87.1 | Confident | 117 Ų | 117 | 56 Ų | 56 | 55% | 0.547 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -63.4 | -38.3 | -179.2 | -65.2 | 179.6 | 179.2 | 0 | 0 | 112.8 | P180 A184 G185 F186 | P180-E182 VanDerWaalsContact C-N 3.26Å; P180-E182 PolarHBondContact O-N 3.43Å; P180-E182 VanDerWaalsContact O-N 3.14Å; E182-A184 PolarHBondContact O-N 2.53Å; E182-G185 PolarHBondContact O-N 3.13Å; E182-G185 VanDerWaalsContact O-N 3.08Å; E182-F186 WeakPolarHBondContact CA-O 3.41Å |
| 183 | Q | 90.9 | Very high | 85.8 | Confident | 132 Ų | 132 | 53.9 Ų | 53.9 | 62% | 0.617 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -73.1 | -20 | 175.9 | -64.9 | -179.7 | 11.6 | 0 | 0 | 112.5 | R173 V179 P180 P181 G185 | R173-Q183 PolarHBondContact NH1-O 3.48Å; V179-Q183 HydrophobicContact CG1-CB 3.62Å; P180-Q183 PolarHBondContact O-N 3.46Å; P181-Q183 VanDerWaalsContact C-N 3.34Å; P181-Q183 PolarHBondContact O-N 3.15Å; Q183-G185 VanDerWaalsContact C-N 3.28Å |
| 184 | A | 91.4 | Very high | 84.3 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -83.5 | -3.1 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | R173 V179 P180 P181 E182 F186 | R173-A184 WeakPolarHBondContact O-CB 3.4Å; V179-A184 HydrophobicContact CG1-CB 4.4Å; P180-A184 PolarHBondContact O-N 3.04Å; P181-A184 CarbonylContact O-C 3.27Å; P181-A184 WeakPolarHBondContact O-CA 3.42Å; P181-A184 WeakPolarHBondContact O-CB 3.45Å; P181-A184 PolarHBondContact O-N 3.08Å; E182-A184 PolarHBondContact O-N 2.53Å; A184-F186 HydrophobicContact CB-CD2 4.05Å; A184-F186 HydrophobicContact CB-CE2 4.29Å |
| 185 | G | 90.1 | Very high | 83.1 | Confident | 35 Ų | 35 | 56.7 Ų | 56.7 | 36% | 0.361 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.8 | 3.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.9 | P181 E182 Q183 | P181-G185 PolarHBondContact O-N 3.4Å; E182-G185 PolarHBondContact O-N 3.13Å; E182-G185 VanDerWaalsContact O-N 3.08Å; Q183-G185 VanDerWaalsContact C-N 3.28Å |
| 186 | F | 91.1 | Very high | 82 | Confident | 11 Ų | 11 | 62 Ų | 62 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -72.5 | 142.6 | 172.4 | -69.5 | -99.5 | 0 | 0 | 0 | 110.4 | R109 K134 L137 F160 L174 P181 E182 A184 | R109-F186 HydrophobicContact CB-CZ 4.32Å; R109-F186 HydrophobicContact CG-CD2 4.27Å; R109-F186 HydrophobicContact CG-CE2 3.9Å; R109-F186 HydrophobicContact CG-CZ 4.05Å; K134-F186 CarbonylContact O-C 3.58Å; K134-F186 VanDerWaalsContact O-CA 3.28Å; K134-F186 WeakPolarHBondContact O-CA 3.36Å; L137-F186 HydrophobicContact CD1-CZ 4.04Å; L137-F186 HydrophobicContact CD2-CE1 4.18Å; L137-F186 HydrophobicContact CD2-CZ 3.98Å; L137-F186 HydrophobicContact CG-CE1 3.99Å; L137-F186 HydrophobicContact CG-CZ 3.8Å; F160-F186 HydrophobicContact CE1-CD1 4.37Å; F160-F186 HydrophobicContact CE1-CD2 4.2Å; F160-F186 HydrophobicContact CE1-CE1 4.44Å; F160-F186 HydrophobicContact CE1-CE2 4.26Å; F160-F186 HydrophobicContact CE1-CG 4.26Å; F160-F186 HydrophobicContact CE1-CZ 4.38Å; F160-F186 AromaticContact CZ-CD1 3.93Å; F160-F186 HydrophobicContact CZ-CD1 3.93Å; F160-F186 AromaticContact CZ-CE1 3.99Å; F160-F186 HydrophobicContact CZ-CE1 3.99Å; F160-F186 HydrophobicContact CZ-CG 4.22Å; F160-F186 HydrophobicContact CZ-CZ 4.34Å; L174-F186 HydrophobicContact CD1-CE2 3.96Å; L174-F186 HydrophobicContact CD1-CZ 4.43Å; L174-F186 WeakPolarHBondContact O-CE2 3.45Å; P181-F186 HydrophobicContact CB-CB 3.96Å; P181-F186 HydrophobicContact CB-CD2 4.33Å; P181-F186 HydrophobicContact CB-CG 4.29Å; P181-F186 WeakPolarHBondContact O-CB 3.49Å; P181-F186 WeakPolarHBondContact O-CD2 3.49Å; P181-F186 PolarHBondContact O-N 3.29Å; E182-F186 WeakPolarHBondContact CA-O 3.41Å; A184-F186 HydrophobicContact CB-CD2 4.05Å; A184-F186 HydrophobicContact CB-CE2 4.29Å |
| 187 | V | 88.6 | Confident | 80.7 | Confident | 75 Ų | 75 | 62.2 Ų | 62.2 | 46% | 0.455 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -96 | 130.6 | 173.9 | 178 | 0 | 0 | 0 | 0 | 108.7 | G133 K134 H135 F189 | G133-V187 WeakPolarHBondContact O-CB 3.5Å; K134-V187 HydrophobicContact CB-CB 4.34Å; K134-V187 HydrophobicContact CB-CG2 3.92Å; K134-V187 HydrophobicContact CD-CG2 4.47Å; K134-V187 PolarHBondContact O-N 3.37Å; H135-V187 PolarHBondContact ND1-O 2.8Å; V187-F189 PolarHBondContact O-N 3.14Å |
| 188 | G | 81.7 | Confident | 79.4 | Confident | 23 Ų | 23 | 66.3 Ų | 66.3 | 24% | 0.237 | 35% | 0.346 | C | S | . | . | P | Polyproline II helix | trans | -56.9 | 128.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | C105 T190 | C105-G188 WeakPolarHBondContact SG-CA 3.17Å; G188-T190 PolarHBondContact O-N 3.25Å |
| 189 | F | 76.1 | Confident | 78.5 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.009 | 33% | 0.331 | C | S | . | . | trans | -77.9 | 113.8 | 179 | -165.6 | -98.4 | 0 | 0 | 0 | 111.4 | L102 L130 H135 V187 R191 G192 L197 Y200 | L102-F189 HydrophobicContact CB-CB 3.68Å; L102-F189 HydrophobicContact CB-CD1 4.49Å; L102-F189 HydrophobicContact CB-CG 4.21Å; L102-F189 HydrophobicContact CD1-CB 3.89Å; L102-F189 HydrophobicContact CD1-CD1 4.45Å; L102-F189 HydrophobicContact CD1-CD2 4.06Å; L102-F189 HydrophobicContact CD1-CG 3.83Å; L102-F189 HydrophobicContact CG-CB 4.23Å; L130-F189 HydrophobicContact CD2-CD2 4.21Å; L130-F189 HydrophobicContact CD2-CE2 4.15Å; H135-F189 HydrophobicContact CB-CD2 4.26Å; H135-F189 AromaticContact CD2-CD2 3.56Å; H135-F189 AromaticContact CD2-CE2 3.94Å; H135-F189 AromaticContact CE1-CD2 3.88Å; H135-F189 AromaticContact CG-CD2 3.64Å; H135-F189 AromaticContact ND1-CD2 3.83Å; H135-F189 AromaticContact NE2-CD2 3.71Å; V187-F189 PolarHBondContact O-N 3.14Å; F189-R191 PolarHBondContact O-N 3.09Å; F189-G192 PolarHBondContact O-N 2.95Å; F189-L197 HydrophobicContact CD1-CD1 4.42Å; F189-L197 HydrophobicContact CD2-CD1 4.49Å; F189-L197 HydrophobicContact CE1-CB 3.77Å; F189-L197 HydrophobicContact CE1-CD1 3.53Å; F189-L197 HydrophobicContact CE1-CG 4.23Å; F189-L197 HydrophobicContact CE2-CD1 3.63Å; F189-L197 HydrophobicContact CZ-CB 3.79Å; F189-L197 HydrophobicContact CZ-CD1 3.11Å; F189-L197 HydrophobicContact CZ-CG 3.96Å; F189-Y200 AromaticContact CE2-CD1 3.91Å; F189-Y200 HydrophobicContact CE2-CD1 3.91Å; F189-Y200 HydrophobicContact CE2-CE1 4.17Å; F189-Y200 HydrophobicContact CE2-CG 4.32Å; F189-Y200 HydrophobicContact CZ-CD1 4.28Å; F189-Y200 HydrophobicContact CZ-CG 4.46Å | ||
| 190 | T | 69.7 | Low | 77.6 | Confident | 34 Ų | 34 | 61.7 Ų | 61.7 | 21% | 0.209 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | 41.9 | 24.6 | 170.4 | 65.2 | 0 | 0 | 0 | 0 | 116.8 | G188 G192 S193 K196 | G188-T190 PolarHBondContact O-N 3.25Å; T190-G192 PolarHBondContact O-N 3.25Å; T190-G192 VanDerWaalsContact O-N 3.16Å; T190-S193 PolarHBondContact O-N 3.31Å; T190-S193 PolarHBondContact OG1-N 2.98Å; T190-S193 PolarHBondContact OG1-O 3.41Å; T190-K196 HydrophobicContact CG2-CB 3.68Å; T190-K196 HydrophobicContact CG2-CD 4.43Å |
| 191 | R | 65.9 | Low | 76.5 | Confident | 237 Ų | 237 | 60 Ų | 60 | 89% | 0.894 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | 49.6 | 29.7 | -169.5 | -61.5 | -176.4 | 177.3 | 174.5 | -0.4 | 113.8 | F189 | F189-R191 PolarHBondContact O-N 3.09Š|
| 192 | G | 60.8 | Low | 75.5 | Confident | 23 Ų | 23 | 65 Ų | 65 | 24% | 0.237 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | 78.6 | 33.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F189 T190 P194 | F189-G192 PolarHBondContact O-N 2.95Å; T190-G192 PolarHBondContact O-N 3.25Å; T190-G192 VanDerWaalsContact O-N 3.16Å; G192-P194 WeakPolarHBondContact O-CD 3.23Å |
| 193 | S | 66.8 | Low | 74.7 | Confident | 28 Ų | 28 | 65.7 Ų | 65.7 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | trans | -99.8 | 92.2 | 166.7 | -84.5 | 0 | 0 | 0 | 0 | 110.1 | T190 E195 K196 | T190-S193 PolarHBondContact O-N 3.31Å; T190-S193 PolarHBondContact OG1-N 2.98Å; T190-S193 PolarHBondContact OG1-O 3.41Å; S193-E195 WeakPolarHBondContact CA-OE1 3.49Å; S193-E195 WeakPolarHBondContact CB-OE1 3.35Å; S193-E195 PolarHBondContact O-N 2.65Å; S193-E195 PolarHBondContact OG-OE1 3.2Å; S193-K196 WeakPolarHBondContact O-CB 3.49Å; S193-K196 PolarHBondContact O-N 3.46Å; S193-K196 VanDerWaalsContact O-N 3.12Å | ||
| 194 | P | 61 | Low | 73.7 | Confident | 48 Ų | 48 | 63.7 Ų | 63.7 | 31% | 0.312 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -52 | -40.2 | 177 | -30.3 | 36.9 | 0 | 0 | 0 | 114.2 | I99 G192 K196 L197 | I99-P194 HydrophobicContact CD1-CB 4.32Å; I99-P194 HydrophobicContact CG2-CB 3.48Å; I99-P194 VanDerWaalsContact CG2-CB 3.48Å; I99-P194 HydrophobicContact CG2-CG 3.63Å; G192-P194 WeakPolarHBondContact O-CD 3.23Å; P194-K196 PolarHBondContact O-N 2.79Å; P194-L197 VanDerWaalsContact O-CB 3.27Å; P194-L197 WeakPolarHBondContact O-CB 3.49Å; P194-L197 PolarHBondContact O-N 3.05Å |
| 195 | E | 67.5 | Low | 72.3 | Confident | 129 Ų | 129 | 66 Ų | 66 | 60% | 0.603 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -61 | -18.1 | -178.5 | 59.5 | -78 | 170.7 | 0 | 0 | 113 | S193 P199 | S193-E195 WeakPolarHBondContact CA-OE1 3.49Å; S193-E195 WeakPolarHBondContact CB-OE1 3.35Å; S193-E195 PolarHBondContact O-N 2.65Å; S193-E195 PolarHBondContact OG-OE1 3.2Å; E195-P199 WeakPolarHBondContact O-CD 3.41Å; E195-P199 WeakPolarHBondContact O-CG 3.32Å |
| 196 | K | 71.1 | Confident | 70.9 | Confident | 112 Ų | 112 | 70.4 Ų | 70.4 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -86.3 | -9.3 | 174.6 | -63.9 | -176.4 | -176.2 | 174.1 | 0 | 113.3 | T190 S193 P194 Y200 | T190-K196 HydrophobicContact CG2-CB 3.68Å; T190-K196 HydrophobicContact CG2-CD 4.43Å; S193-K196 WeakPolarHBondContact O-CB 3.49Å; S193-K196 PolarHBondContact O-N 3.46Å; S193-K196 VanDerWaalsContact O-N 3.12Å; P194-K196 PolarHBondContact O-N 2.79Å; K196-Y200 WeakPolarHBondContact O-CB 3.44Å; K196-Y200 PolarHBondContact O-N 2.94Å |
| 197 | L | 68.8 | Low | 69.2 | Low | 4 Ų | 4 | 74.5 Ų | 74.5 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64.8 | -52.7 | 178.7 | -175.6 | 88.7 | 0 | 0 | 0 | 111.7 | I99 L126 L130 F189 P194 Y200 I201 | I99-L197 HydrophobicContact CD1-CB 4.35Å; I99-L197 HydrophobicContact CD1-CD2 3.73Å; I99-L197 HydrophobicContact CG1-CB 4.27Å; I99-L197 HydrophobicContact CG1-CD2 3.54Å; I99-L197 HydrophobicContact CG1-CG 4.37Å; L126-L197 HydrophobicContact CD1-CD1 4.48Å; L130-L197 HydrophobicContact CD2-CD1 4.15Å; F189-L197 HydrophobicContact CD1-CD1 4.42Å; F189-L197 HydrophobicContact CD2-CD1 4.49Å; F189-L197 HydrophobicContact CE1-CB 3.77Å; F189-L197 HydrophobicContact CE1-CD1 3.53Å; F189-L197 HydrophobicContact CE1-CG 4.23Å; F189-L197 HydrophobicContact CE2-CD1 3.63Å; F189-L197 HydrophobicContact CZ-CB 3.79Å; F189-L197 HydrophobicContact CZ-CD1 3.11Å; F189-L197 HydrophobicContact CZ-CG 3.96Å; P194-L197 VanDerWaalsContact O-CB 3.27Å; P194-L197 WeakPolarHBondContact O-CB 3.49Å; P194-L197 PolarHBondContact O-N 3.05Å; L197-Y200 WeakPolarHBondContact O-CB 3.4Å; L197-Y200 PolarHBondContact O-N 3.43Å; L197-Y200 VanDerWaalsContact O-N 3.17Å; L197-I201 HydrophobicContact CD1-CD1 4.21Å; L197-I201 HydrophobicContact CD1-CG1 4.44Å; L197-I201 HydrophobicContact CD2-CD1 3.73Å; L197-I201 HydrophobicContact CG-CD1 3.54Å; L197-I201 HydrophobicContact CG-CG1 4.14Å; L197-I201 WeakPolarHBondContact O-CD1 3.09Å; L197-I201 WeakPolarHBondContact O-CG1 3.13Å; L197-I201 PolarHBondContact O-N 3.18Å |
| 198 | L | 66.7 | Low | 67.2 | Low | 115 Ų | 115 | 77.1 Ų | 77.1 | 60% | 0.602 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -56.5 | -52.6 | 179 | -97.9 | 147.8 | 0 | 0 | 0 | 111.7 | Y200 I201 E202 | L198-Y200 VanDerWaalsContact C-N 3.32Å; L198-Y200 PolarHBondContact O-N 3.15Å; L198-I201 PolarHBondContact O-N 2.78Å; L198-E202 WeakPolarHBondContact O-CB 3.37Å; L198-E202 WeakPolarHBondContact O-CG 3.13Å; L198-E202 PolarHBondContact O-N 2.78Å |
| 199 | P | 74.1 | Confident | 65.3 | Low | 68 Ų | 68 | 83 Ų | 83 | 44% | 0.442 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -58.2 | -39.7 | 174.3 | -25.6 | 33.5 | 0 | 0 | 0 | 113.9 | E195 E202 E203 | E195-P199 WeakPolarHBondContact O-CD 3.41Å; E195-P199 WeakPolarHBondContact O-CG 3.32Å; P199-E202 PolarHBondContact O-N 2.91Å; P199-E203 VanDerWaalsContact O-CB 3.3Å; P199-E203 WeakPolarHBondContact O-CB 2.75Å; P199-E203 PolarHBondContact O-N 3.43Å |
| 200 | Y | 72.5 | Confident | 64.8 | Low | 31 Ų | 31 | 87 Ų | 87 | 12% | 0.122 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.4 | -43 | 177.5 | 172.2 | -92.6 | 0 | 0 | 0 | 112 | G133 H135 F189 K196 L197 L198 R204 | G133-Y200 VanDerWaalsContact CA-OH 3.24Å; G133-Y200 WeakPolarHBondContact CA-OH 3.47Å; H135-Y200 AromaticContact CD2-CZ 3.96Å; H135-Y200 AromaticContact NE2-CZ 3.63Å; H135-Y200 PolarHBondContact NE2-OH 3.34Å; F189-Y200 AromaticContact CE2-CD1 3.91Å; F189-Y200 HydrophobicContact CE2-CD1 3.91Å; F189-Y200 HydrophobicContact CE2-CE1 4.17Å; F189-Y200 HydrophobicContact CE2-CG 4.32Å; F189-Y200 HydrophobicContact CZ-CD1 4.28Å; F189-Y200 HydrophobicContact CZ-CG 4.46Å; K196-Y200 WeakPolarHBondContact O-CB 3.44Å; K196-Y200 PolarHBondContact O-N 2.94Å; L197-Y200 WeakPolarHBondContact O-CB 3.4Å; L197-Y200 PolarHBondContact O-N 3.43Å; L197-Y200 VanDerWaalsContact O-N 3.17Å; L198-Y200 VanDerWaalsContact C-N 3.32Å; L198-Y200 PolarHBondContact O-N 3.15Å; Y200-R204 HydrophobicContact CE1-CG 4.25Å; Y200-R204 HydrophobicContact CE2-CG 4.23Å; Y200-R204 WeakPolarHBondContact O-CB 3.47Å; Y200-R204 VanDerWaalsContact O-CG 3.28Å; Y200-R204 WeakPolarHBondContact O-CG 3.38Å; Y200-R204 PolarHBondContact O-N 2.83Å |
| 201 | I | 68.1 | Low | 64.5 | Low | 23 Ų | 23 | 89.8 Ų | 89.8 | 12% | 0.118 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -64 | -50.9 | 175.6 | -65 | 158.2 | 0 | 0 | 0 | 108.8 | L126 L197 L198 E203 R204 L205 | L126-I201 HydrophobicContact CD1-CD1 3.35Å; L126-I201 HydrophobicContact CD1-CG1 3.66Å; L197-I201 HydrophobicContact CD1-CD1 4.21Å; L197-I201 HydrophobicContact CD1-CG1 4.44Å; L197-I201 HydrophobicContact CD2-CD1 3.73Å; L197-I201 HydrophobicContact CG-CD1 3.54Å; L197-I201 HydrophobicContact CG-CG1 4.14Å; L197-I201 WeakPolarHBondContact O-CD1 3.09Å; L197-I201 WeakPolarHBondContact O-CG1 3.13Å; L197-I201 PolarHBondContact O-N 3.18Å; L198-I201 PolarHBondContact O-N 2.78Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 2.98Å; I201-R204 CarbonylContact O-C 3.51Å; I201-R204 PolarHBondContact O-N 2.75Å; I201-L205 HydrophobicContact CG2-CD1 3.44Å; I201-L205 VanDerWaalsContact CG2-CD1 3.44Å; I201-L205 HydrophobicContact CG2-CG 3.77Å; I201-L205 WeakPolarHBondContact O-CB 3.42Å; I201-L205 VanDerWaalsContact O-CG 3.28Å; I201-L205 WeakPolarHBondContact O-CG 3.46Å; I201-L205 PolarHBondContact O-N 2.63Å |
| 202 | E | 70.9 | Confident | 64.4 | Low | 113 Ų | 113 | 81.6 Ų | 81.6 | 53% | 0.528 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -56.5 | -46.1 | -179.8 | -73.5 | 172.2 | -178.3 | 0 | 0 | 111.5 | L198 P199 R204 L205 L206 | L198-E202 WeakPolarHBondContact O-CB 3.37Å; L198-E202 WeakPolarHBondContact O-CG 3.13Å; L198-E202 PolarHBondContact O-N 2.78Å; P199-E202 PolarHBondContact O-N 2.91Å; E202-R204 VanDerWaalsContact C-N 3.32Å; E202-R204 PolarHBondContact O-N 3.44Å; E202-L205 PolarHBondContact O-N 3.14Å; E202-L206 WeakPolarHBondContact O-CB 3.45Å; E202-L206 WeakPolarHBondContact O-CD1 3.43Å; E202-L206 VanDerWaalsContact O-CG 3.23Å; E202-L206 WeakPolarHBondContact O-CG 3.36Å; E202-L206 PolarHBondContact O-N 3.29Å |
| 203 | E | 75.7 | Confident | 64.7 | Low | 131 Ų | 131 | 85.1 Ų | 85.1 | 61% | 0.612 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -60.2 | -41 | 175.9 | -173.5 | -176 | -178.1 | 0 | 0 | 112 | P199 I201 T207 | P199-E203 VanDerWaalsContact O-CB 3.3Å; P199-E203 WeakPolarHBondContact O-CB 2.75Å; P199-E203 PolarHBondContact O-N 3.43Å; I201-E203 VanDerWaalsContact C-N 3.33Å; I201-E203 PolarHBondContact O-N 2.98Å; E203-T207 PolarHBondContact O-OG1 2.73Å |
| 204 | R | 68.2 | Low | 64.5 | Low | 91 Ų | 91 | 88.6 Ų | 88.6 | 34% | 0.343 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -76.1 | -36.4 | 179.9 | -70.7 | -67.6 | 170.3 | 116.7 | -4.5 | 113.2 | A129 Y200 I201 E202 L206 T207 F208 | A129-R204 HydrophobicContact CB-CB 4.4Å; Y200-R204 HydrophobicContact CE1-CG 4.25Å; Y200-R204 HydrophobicContact CE2-CG 4.23Å; Y200-R204 WeakPolarHBondContact O-CB 3.47Å; Y200-R204 VanDerWaalsContact O-CG 3.28Å; Y200-R204 WeakPolarHBondContact O-CG 3.38Å; Y200-R204 PolarHBondContact O-N 2.83Å; I201-R204 CarbonylContact O-C 3.51Å; I201-R204 PolarHBondContact O-N 2.75Å; E202-R204 VanDerWaalsContact C-N 3.32Å; E202-R204 PolarHBondContact O-N 3.44Å; R204-L206 VanDerWaalsContact C-N 3.34Å; R204-T207 WeakPolarHBondContact CA-OG1 3.37Å; R204-T207 PolarHBondContact O-N 3.37Å; R204-T207 VanDerWaalsContact O-N 3.14Å; R204-T207 PolarHBondContact O-OG1 3.31Å; R204-F208 WeakPolarHBondContact O-CD2 3.49Å; R204-F208 VanDerWaalsContact O-CE2 3.27Å; R204-F208 WeakPolarHBondContact O-CE2 3.27Å |
| 205 | L | 62.8 | Low | 64.7 | Low | 52 Ų | 52 | 91.3 Ų | 91.3 | 27% | 0.272 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 176.4 | -67.5 | -179.1 | 0 | 0 | 0 | 111.4 | E125 I201 E202 T207 F208 | E125-L205 HydrophobicContact CB-CD1 4.34Å; E125-L205 HydrophobicContact CB-CD2 3.67Å; E125-L205 HydrophobicContact CG-CD2 3.82Å; I201-L205 HydrophobicContact CG2-CD1 3.44Å; I201-L205 VanDerWaalsContact CG2-CD1 3.44Å; I201-L205 HydrophobicContact CG2-CG 3.77Å; I201-L205 WeakPolarHBondContact O-CB 3.42Å; I201-L205 VanDerWaalsContact O-CG 3.28Å; I201-L205 WeakPolarHBondContact O-CG 3.46Å; I201-L205 PolarHBondContact O-N 2.63Å; E202-L205 PolarHBondContact O-N 3.14Å; L205-T207 PolarHBondContact O-N 3.11Å; L205-F208 PolarHBondContact O-N 2.79Å; L205-F208 VanDerWaalsContact O-N 3.07Å |
| 206 | L | 60.7 | Low | 64.6 | Low | 128 Ų | 128 | 88.6 Ų | 88.6 | 67% | 0.67 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -18.7 | 173 | -72.3 | 168.1 | 0 | 0 | 0 | 113.5 | E202 R204 F208 S209 | E202-L206 WeakPolarHBondContact O-CB 3.45Å; E202-L206 WeakPolarHBondContact O-CD1 3.43Å; E202-L206 VanDerWaalsContact O-CG 3.23Å; E202-L206 WeakPolarHBondContact O-CG 3.36Å; E202-L206 PolarHBondContact O-N 3.29Å; R204-L206 VanDerWaalsContact C-N 3.34Å; L206-F208 VanDerWaalsContact C-N 3.35Å; L206-S209 PolarHBondContact O-OG 3.14Å |
| 207 | T | 55.9 | Low | 64 | Low | 98 Ų | 98 | 86.8 Ų | 86.8 | 60% | 0.601 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | -7.5 | 175.8 | 6.5 | 0 | 0 | 0 | 0 | 113.4 | E203 R204 L205 | E203-T207 PolarHBondContact O-OG1 2.73Å; R204-T207 WeakPolarHBondContact CA-OG1 3.37Å; R204-T207 PolarHBondContact O-N 3.37Å; R204-T207 VanDerWaalsContact O-N 3.14Å; R204-T207 PolarHBondContact O-OG1 3.31Å; L205-T207 PolarHBondContact O-N 3.11Å |
| 208 | F | 45.6 | Very low | 63.6 | Low | 130 Ų | 130 | 93.8 Ų | 93.8 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | trans | -104.7 | -1.9 | 176.7 | -67.4 | -70.2 | 0 | 0 | 0 | 114.7 | Q132 R204 L205 L206 | Q132-F208 VanDerWaalsContact NE2-CE1 3.32Å; R204-F208 WeakPolarHBondContact O-CD2 3.49Å; R204-F208 VanDerWaalsContact O-CE2 3.27Å; R204-F208 WeakPolarHBondContact O-CE2 3.27Å; L205-F208 PolarHBondContact O-N 2.79Å; L205-F208 VanDerWaalsContact O-N 3.07Å; L206-F208 VanDerWaalsContact C-N 3.35Å | ||
| 209 | S | 42.4 | Very low | 63.4 | Low | 145 Ų | 145 | 91.8 Ų | 91.8 | 100% | 1.014 | 48% | 0.481 | S | S | * | . | trans | -98.9 | 0 | 172 | 58.3 | 0 | 0 | 0 | 0 | 111.7 | L206 | L206-S209 PolarHBondContact O-OG 3.14Š|
Retrieved 209 of 209 residues in 69 ms
(Link to these results)