| 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 | 78.2 | Confident | 95.9 | Very high | 143 Ų | 143 | 33.5 Ų | 33.5 | 70% | 0.704 | 18% | 0.183 | S | C | * | . | 0 | 129.6 | 0 | -167.5 | 177.3 | -62.2 | 0 | 0 | 106.7 | A3 P50 V51 N52 | M1-A3 PolarHBondContact O-N 2.88Å; M1-P50 HydrophobicContact CE-CB 4.05Å; M1-P50 HydrophobicContact CG-CB 4.05Å; M1-P50 WeakPolarHBondContact CG-O 3.11Å; M1-P50 HydrophobicContact SD-CB 4.38Å; M1-V51 VanDerWaalsContact SD-C 3.59Å; M1-N52 HydrophobicContact CG-CB 4.31Å; M1-N52 HydrophobicContact SD-CB 3.93Å | |||
| 2 | Q | 90.9 | Very high | 95.9 | Very high | 102 Ų | 102 | 33.3 Ų | 33.3 | 48% | 0.477 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 128.7 | 179.5 | -177.7 | 171.6 | -3.2 | 0 | 0 | 108.8 | I4 V51 N52 | Q2-I4 HydrophobicContact CG-CG1 4.39Å; Q2-V51 WeakPolarHBondContact O-CA 3.48Å; Q2-N52 PolarHBondContact O-N 2.92Å |
| 3 | A | 96.7 | Very high | 95.8 | Very high | 68 Ų | 68 | 34.4 Ų | 34.4 | 56% | 0.562 | 21% | 0.21 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 135.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | M1 N52 | M1-A3 PolarHBondContact O-N 2.88Å; A3-N52 CarbonylContact C-O 3.53Å; A3-N52 VanDerWaalsContact CA-O 3.3Å; A3-N52 WeakPolarHBondContact CA-O 3.3Å |
| 4 | I | 98.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.015 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.1 | 174.8 | -65.7 | -177.1 | 0 | 0 | 0 | 108.1 | Q2 V51 N52 L53 G54 D76 V77 I169 V172 L173 | Q2-I4 HydrophobicContact CG-CG1 4.39Å; I4-V51 HydrophobicContact CB-CG1 4.09Å; I4-V51 HydrophobicContact CD1-CG1 3.69Å; I4-V51 HydrophobicContact CD1-CG2 4.36Å; I4-V51 HydrophobicContact CG1-CG1 3.83Å; I4-N52 PolarHBondContact N-O 2.93Å; I4-L53 HydrophobicContact CB-CD1 4.13Å; I4-L53 HydrophobicContact CG2-CD1 3.91Å; I4-G54 PolarHBondContact O-N 3.18Å; I4-D76 WeakPolarHBondContact CA-OD2 3.42Å; I4-D76 HydrophobicContact CG2-CB 3.97Å; I4-V77 HydrophobicContact CG2-CG1 4.19Å; I4-I169 HydrophobicContact CD1-CB 4.46Å; I4-I169 HydrophobicContact CD1-CG1 4.37Å; I4-I169 HydrophobicContact CD1-CG2 4.02Å; I4-V172 HydrophobicContact CD1-CB 4.01Å; I4-V172 HydrophobicContact CD1-CG1 4Å; I4-V172 HydrophobicContact CG1-CG1 4.22Å; I4-V172 HydrophobicContact CG2-CG2 4.06Å; I4-L173 HydrophobicContact CD1-CD2 3.95Å; I4-L173 HydrophobicContact CD1-CG 4.08Å |
| 5 | K | 98.4 | Very high | 95.9 | Very high | 29 Ų | 29 | 30.9 Ų | 30.9 | 13% | 0.126 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 112.1 | 173.5 | 172.7 | 163.1 | 178.8 | -174.6 | 0 | 111.5 | V7 W56 S71 P73 D76 V77 | K5-V7 HydrophobicContact CG-CG2 4.31Å; K5-W56 VanDerWaalsContact CA-CZ3 3.5Å; K5-W56 HydrophobicContact CB-CE3 4.27Å; K5-W56 HydrophobicContact CB-CH2 3.83Å; K5-W56 HydrophobicContact CB-CZ3 3.65Å; K5-W56 HydrophobicContact CD-CD2 4.1Å; K5-W56 HydrophobicContact CD-CE3 4.19Å; K5-W56 HydrophobicContact CD-CH2 3.84Å; K5-W56 HydrophobicContact CD-CZ2 3.74Å; K5-W56 HydrophobicContact CD-CZ3 4.06Å; K5-W56 HydrophobicContact CG-CD2 3.94Å; K5-W56 HydrophobicContact CG-CE3 3.56Å; K5-W56 HydrophobicContact CG-CH2 3.68Å; K5-W56 HydrophobicContact CG-CZ2 4.05Å; K5-W56 HydrophobicContact CG-CZ3 3.41Å; K5-W56 VanDerWaalsContact CG-CZ3 3.41Å; K5-S71 WeakPolarHBondContact CE-O 3.42Å; K5-S71 PolarHBondContact NZ-O 3.2Å; K5-P73 PolarHBondContact NZ-O 2.87Å; K5-D76 PolarHBondContact N-OD2 3.46Å; K5-D76 WeakPolarHBondContact O-CB 3.35Å; K5-D76 PolarHBondContact O-N 2.76Å; K5-V77 PolarHBondContact O-N 3.06Å |
| 6 | C | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 117.5 | 175.8 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | L53 G54 L55 W56 V77 | C6-L53 HydrophobicContact CB-CD1 3.78Å; C6-G54 WeakPolarHBondContact CB-O 3.42Å; C6-G54 PolarHBondContact N-O 3.23Å; C6-L55 HydrophobicContact CB-CD2 4.07Å; C6-L55 WeakPolarHBondContact O-CA 3.22Å; C6-W56 PolarHBondContact O-N 3.08Å; C6-V77 WeakPolarHBondContact CA-O 3.45Å; C6-V77 HydrophobicContact CB-CG1 3.81Å |
| 7 | V | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 131.9 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 110 | K5 V9 W56 T58 Y72 T75 V77 F78 L79 | K5-V7 HydrophobicContact CG-CG2 4.31Å; V7-V9 HydrophobicContact CG1-CG1 4Å; V7-W56 HydrophobicContact CB-CB 4.31Å; V7-W56 HydrophobicContact CG1-CB 4.31Å; V7-W56 HydrophobicContact CG2-CB 3.88Å; V7-W56 HydrophobicContact CG2-CG 4.23Å; V7-T58 HydrophobicContact CG1-CG2 3.8Å; V7-Y72 HydrophobicContact CG1-CD1 4.05Å; V7-Y72 HydrophobicContact CG1-CE1 3.98Å; V7-T75 HydrophobicContact CB-CG2 3.96Å; V7-T75 HydrophobicContact CG2-CG2 3.65Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.33Å; V7-V77 PolarHBondContact N-O 3.23Å; V7-V77 VanDerWaalsContact N-O 3.07Å; V7-F78 HydrophobicContact CB-CD1 3.82Å; V7-F78 HydrophobicContact CB-CE1 3.71Å; V7-F78 HydrophobicContact CG1-CD1 4.15Å; V7-F78 HydrophobicContact CG1-CE1 3.88Å; V7-F78 HydrophobicContact CG2-CE1 4.39Å; V7-F78 WeakPolarHBondContact O-CA 3.39Å; V7-L79 PolarHBondContact O-N 3.43Å |
| 8 | V | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 121.4 | -180 | -167.2 | 0 | 0 | 0 | 0 | 109.7 | K16 L20 W56 T58 L79 | V8-K16 HydrophobicContact CG1-CB 3.79Å; V8-K16 HydrophobicContact CG1-CD 4Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; V8-L20 HydrophobicContact CB-CD1 4.46Å; V8-L20 HydrophobicContact CG2-CD1 4.03Å; V8-L20 HydrophobicContact CG2-CD2 3.71Å; V8-L20 HydrophobicContact CG2-CG 4.18Å; V8-W56 PolarHBondContact N-O 3.01Å; V8-T58 PolarHBondContact O-OG1 2.79Å; V8-L79 WeakPolarHBondContact CA-O 3.4Å; V8-L79 HydrophobicContact CB-CB 4.43Å; V8-L79 HydrophobicContact CG1-CB 4.08Å; V8-L79 HydrophobicContact CG2-CB 4.16Å; V8-L79 HydrophobicContact CG2-CD1 4.08Å; V8-L79 HydrophobicContact CG2-CG 4.46Å |
| 9 | V | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 169.1 | -179.2 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | V7 K16 Y72 F78 L79 M80 C81 W97 I101 | V7-V9 HydrophobicContact CG1-CG1 4Å; V9-K16 WeakPolarHBondContact O-CD 3.21Å; V9-Y72 HydrophobicContact CG1-CE1 3.81Å; V9-F78 HydrophobicContact CG1-CD1 4.22Å; V9-F78 HydrophobicContact CG1-CE1 4.4Å; V9-L79 PolarHBondContact N-O 2.91Å; V9-M80 HydrophobicContact CG2-CB 4.35Å; V9-M80 HydrophobicContact CG2-CG 4.19Å; V9-C81 PolarHBondContact O-N 2.87Å; V9-W97 HydrophobicContact CB-CE3 3.85Å; V9-W97 HydrophobicContact CB-CZ3 4.03Å; V9-W97 HydrophobicContact CG2-CE3 4.08Å; V9-I101 HydrophobicContact CG2-CD1 3.39Å; V9-I101 HydrophobicContact CG2-CG1 4.3Å |
| 10 | G | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | 135.2 | 166.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K16 G60 C81 W97 | G10-K16 PolarHBondContact O-NZ 2.87Å; G10-G60 WeakPolarHBondContact O-CA 3.39Å; G10-C81 VanDerWaalsContact CA-O 3.29Å; G10-C81 WeakPolarHBondContact CA-O 3.49Å; G10-W97 WeakPolarHBondContact O-CH2 3.25Å; G10-W97 WeakPolarHBondContact O-CZ2 3.43Å | ||
| 11 | D | 98.3 | Very high | 96.4 | Very high | 23 Ų | 23 | 26.8 Ų | 26.8 | 12% | 0.123 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -53.5 | 163 | -176.5 | -81.3 | 13.3 | 0 | 0 | 0 | 113.6 | V14 K16 S89 N92 W97 | D11-V14 HydrophobicContact CB-CG1 3.66Å; D11-V14 WeakPolarHBondContact O-CG2 3.1Å; D11-K16 PolarHBondContact O-NZ 2.84Å; D11-S89 VanDerWaalsContact OD2-CA 3.27Å; D11-S89 WeakPolarHBondContact OD2-CA 3.19Å; D11-N92 PolarHBondContact OD1-ND2 2.77Å; D11-N92 PolarHBondContact OD2-ND2 3.12Å; D11-W97 PolarHBondContact OD1-NE1 3.42Å |
| 12 | G | 95.5 | Very high | 97.2 | Very high | 32 Ų | 32 | 20.1 Ų | 20.1 | 33% | 0.33 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 145.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V14 G60 | G12-V14 PolarHBondContact O-N 2.87Å; G12-G60 PolarHBondContact N-O 2.87Å; G12-G60 VanDerWaalsContact N-O 3.12Å |
| 13 | A | 94.6 | Very high | 97.5 | Very high | 47 Ų | 47 | 17.4 Ų | 17.4 | 39% | 0.388 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57 | 12.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | G15 Y32 K116 | A13-G15 VanDerWaalsContact C-N 3.27Å; A13-G15 PolarHBondContact O-N 3.07Å; A13-Y32 HydrophobicContact CB-CE1 4.33Å; A13-Y32 HydrophobicContact CB-CE2 4.44Å; A13-Y32 PolarHBondContact N-OH 3.32Å; A13-K116 VanDerWaalsContact O-CE 3.25Å; A13-K116 WeakPolarHBondContact O-CE 3.23Å; A13-K116 PolarHBondContact O-NZ 2.7Å |
| 14 | V | 97 | Very high | 97.4 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.018 | 10% | 0.104 | C | C | . | . | S | Bend | trans | -70 | -25.8 | 174.3 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | D11 G12 K16 C81 T115 K116 | D11-V14 HydrophobicContact CB-CG1 3.66Å; D11-V14 WeakPolarHBondContact O-CG2 3.1Å; G12-V14 PolarHBondContact O-N 2.87Å; V14-K16 HydrophobicContact CG2-CD 4.38Å; V14-K16 HydrophobicContact CG2-CG 3.69Å; V14-C81 HydrophobicContact CG2-CB 3.94Å; V14-T115 PolarHBondContact O-OG1 2.9Å; V14-K116 WeakPolarHBondContact O-CE 3.47Å |
| 15 | G | 97.3 | Very high | 97.2 | Very high | 14 Ų | 14 | 20 Ų | 20 | 14% | 0.144 | 13% | 0.127 | C | C | . | . | S | Bend | trans | 115.7 | 20.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115 | A13 T17 C18 L19 | A13-G15 VanDerWaalsContact C-N 3.27Å; A13-G15 PolarHBondContact O-N 3.07Å; G15-T17 PolarHBondContact O-N 2.83Å; G15-C18 PolarHBondContact O-N 2.87Å; G15-L19 WeakPolarHBondContact O-CB 3.34Å; G15-L19 PolarHBondContact O-N 3.27Å |
| 16 | K | 98.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 24.2 Ų | 24.2 | 5% | 0.048 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53.4 | -52.9 | 176.1 | -56.1 | -171.1 | -57.5 | -77.6 | 0 | 112 | V8 V9 G10 D11 V14 C18 L19 L20 T58 C81 | V8-K16 HydrophobicContact CG1-CB 3.79Å; V8-K16 HydrophobicContact CG1-CD 4Å; V8-K16 HydrophobicContact CG1-CG 3.88Å; V9-K16 WeakPolarHBondContact O-CD 3.21Å; G10-K16 PolarHBondContact O-NZ 2.87Å; D11-K16 PolarHBondContact O-NZ 2.84Å; V14-K16 HydrophobicContact CG2-CD 4.38Å; V14-K16 HydrophobicContact CG2-CG 3.69Å; K16-C18 PolarHBondContact O-N 2.74Å; K16-L19 VanDerWaalsContact O-CB 3.26Å; K16-L19 WeakPolarHBondContact O-CB 3.49Å; K16-L19 PolarHBondContact O-N 3.42Å; K16-L20 WeakPolarHBondContact O-CG 3.28Å; K16-L20 PolarHBondContact O-N 2.72Å; K16-T58 WeakPolarHBondContact CE-O 3.33Å; K16-T58 PolarHBondContact NZ-O 3.09Å; K16-C81 HydrophobicContact CG-CB 4.02Å |
| 17 | T | 97.5 | Very high | 96.6 | Very high | 26 Ų | 26 | 26.6 Ų | 26.6 | 16% | 0.16 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.4 | -44.1 | -180 | -44.8 | 0 | 0 | 0 | 0 | 112.1 | G15 L19 L20 I21 T35 D57 | G15-T17 PolarHBondContact O-N 2.83Å; T17-L19 VanDerWaalsContact C-N 3.3Å; T17-L19 PolarHBondContact O-N 2.96Å; T17-L20 PolarHBondContact O-N 2.76Å; T17-I21 HydrophobicContact CG2-CD1 3.78Å; T17-I21 HydrophobicContact CG2-CG1 4.37Å; T17-I21 WeakPolarHBondContact O-CB 3.41Å; T17-I21 WeakPolarHBondContact O-CG1 3.37Å; T17-I21 PolarHBondContact O-N 3.24Å; T17-T35 PolarHBondContact OG1-OG1 2.91Å; T17-D57 WeakPolarHBondContact CA-OD2 3.45Å; T17-D57 VanDerWaalsContact CB-OD2 3.22Å; T17-D57 WeakPolarHBondContact CB-OD2 3.38Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.15Å; T17-D57 PolarHBondContact OG1-OD2 3.17Å |
| 18 | C | 97.3 | Very high | 96.2 | Very high | 24 Ų | 24 | 31.2 Ų | 31.2 | 16% | 0.162 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.3 | -40.7 | 174.4 | -58.5 | 0 | 0 | 0 | 0 | 112.1 | G15 K16 S22 F28 P29 A155 | G15-C18 PolarHBondContact O-N 2.87Å; K16-C18 PolarHBondContact O-N 2.74Å; C18-S22 WeakPolarHBondContact O-CB 3.38Å; C18-S22 PolarHBondContact O-N 2.91Å; C18-F28 HydrophobicContact CB-CD2 4.36Å; C18-F28 HydrophobicContact CB-CE2 3.79Å; C18-F28 HydrophobicContact CB-CZ 4.46Å; C18-P29 HydrophobicContact CB-CG 4.27Å; C18-A155 HydrophobicContact CB-CB 3.84Å; C18-A155 WeakPolarHBondContact O-CB 3.14Å |
| 19 | L | 98.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 32.7 Ų | 32.7 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.7 | -50.3 | 176.1 | -174.6 | 83.4 | 0 | 0 | 0 | 110.7 | G15 K16 T17 Y23 L79 C153 L161 V164 F165 | G15-L19 WeakPolarHBondContact O-CB 3.34Å; G15-L19 PolarHBondContact O-N 3.27Å; K16-L19 VanDerWaalsContact O-CB 3.26Å; K16-L19 WeakPolarHBondContact O-CB 3.49Å; K16-L19 PolarHBondContact O-N 3.42Å; T17-L19 VanDerWaalsContact C-N 3.3Å; T17-L19 PolarHBondContact O-N 2.96Å; L19-Y23 WeakPolarHBondContact O-CB 3.32Å; L19-Y23 PolarHBondContact O-N 3.18Å; L19-L79 HydrophobicContact CD2-CD1 4.1Å; L19-C153 WeakPolarHBondContact CD1-SG 3.41Å; L19-L161 HydrophobicContact CD1-CD1 3.3Å; L19-L161 HydrophobicContact CG-CD1 3.88Å; L19-V164 HydrophobicContact CD2-CG1 4.48Å; L19-F165 HydrophobicContact CD2-CZ 4.04Å; L19-F165 HydrophobicContact CG-CE2 4.15Å; L19-F165 HydrophobicContact CG-CZ 3.96Å |
| 20 | L | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.5 | -46.7 | -178.7 | -65.7 | 177.3 | 0 | 0 | 0 | 112.4 | V8 K16 T17 Y23 T24 Y40 L55 D57 F165 | V8-L20 HydrophobicContact CB-CD1 4.46Å; V8-L20 HydrophobicContact CG2-CD1 4.03Å; V8-L20 HydrophobicContact CG2-CD2 3.71Å; V8-L20 HydrophobicContact CG2-CG 4.18Å; K16-L20 WeakPolarHBondContact O-CG 3.28Å; K16-L20 PolarHBondContact O-N 2.72Å; T17-L20 PolarHBondContact O-N 2.76Å; L20-Y23 PolarHBondContact O-N 2.75Å; L20-T24 WeakPolarHBondContact O-CB 3.49Å; L20-T24 WeakPolarHBondContact O-CG2 3.36Å; L20-T24 PolarHBondContact O-N 2.91Å; L20-T24 PolarHBondContact O-OG1 2.93Å; L20-Y40 HydrophobicContact CB-CD2 4.26Å; L20-Y40 HydrophobicContact CB-CE2 4.36Å; L20-Y40 HydrophobicContact CD1-CD2 4.19Å; L20-Y40 HydrophobicContact CD1-CE2 4.3Å; L20-L55 HydrophobicContact CD2-CB 3.9Å; L20-L55 HydrophobicContact CD2-CD1 4.05Å; L20-L55 HydrophobicContact CD2-CD2 3.86Å; L20-L55 HydrophobicContact CD2-CG 4.14Å; L20-D57 HydrophobicContact CD1-CB 3.41Å; L20-D57 VanDerWaalsContact CD1-CB 3.41Å; L20-F165 HydrophobicContact CD2-CE1 3.89Å; L20-F165 HydrophobicContact CD2-CZ 3.94Å |
| 21 | I | 95.2 | Very high | 94.1 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 19% | 0.185 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 178.5 | -68.4 | 175.2 | 0 | 0 | 0 | 110.3 | T17 Y23 T24 T25 P29 Y40 | T17-I21 HydrophobicContact CG2-CD1 3.78Å; T17-I21 HydrophobicContact CG2-CG1 4.37Å; T17-I21 WeakPolarHBondContact O-CB 3.41Å; T17-I21 WeakPolarHBondContact O-CG1 3.37Å; T17-I21 PolarHBondContact O-N 3.24Å; I21-Y23 VanDerWaalsContact C-N 3.26Å; I21-Y23 PolarHBondContact O-N 3.1Å; I21-T24 PolarHBondContact O-N 3.32Å; I21-T24 PolarHBondContact O-OG1 2.65Å; I21-T25 HydrophobicContact CG2-CG2 4.27Å; I21-T25 WeakPolarHBondContact CG2-OG1 3.2Å; I21-T25 WeakPolarHBondContact O-CB 3.49Å; I21-T25 PolarHBondContact O-N 2.83Å; I21-T25 PolarHBondContact O-OG1 2.8Å; I21-P29 HydrophobicContact CD1-CB 4.34Å; I21-P29 HydrophobicContact CD1-CG 4.27Å; I21-P29 HydrophobicContact CG2-CG 4.47Å; I21-Y40 HydrophobicContact CG1-CE1 4.18Å |
| 22 | S | 96.7 | Very high | 93.2 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 179.6 | -172.6 | 0 | 0 | 0 | 0 | 112 | C18 N26 A27 A155 L161 | C18-S22 WeakPolarHBondContact O-CB 3.38Å; C18-S22 PolarHBondContact O-N 2.91Å; S22-N26 WeakPolarHBondContact O-CA 3.41Å; S22-N26 PolarHBondContact O-N 3.37Å; S22-A27 WeakPolarHBondContact CA-O 3.33Å; S22-A27 PolarHBondContact N-O 2.98Å; S22-A155 WeakPolarHBondContact CB-O 3.45Å; S22-A155 PolarHBondContact OG-O 2.99Å; S22-L161 WeakPolarHBondContact OG-CD2 3.38Å |
| 23 | Y | 97 | Very high | 92.6 | Very high | 45 Ų | 45 | 53.4 Ų | 53.4 | 18% | 0.176 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.2 | -41.7 | 177.6 | 179.9 | -112.1 | 0 | 0 | 0 | 113 | L19 L20 I21 A42 V44 L53 L55 L161 F165 | L19-Y23 WeakPolarHBondContact O-CB 3.32Å; L19-Y23 PolarHBondContact O-N 3.18Å; L20-Y23 PolarHBondContact O-N 2.75Å; I21-Y23 VanDerWaalsContact C-N 3.26Å; I21-Y23 PolarHBondContact O-N 3.1Å; Y23-A42 HydrophobicContact CE1-CB 4.18Å; Y23-V44 WeakPolarHBondContact OH-CG1 3.49Å; Y23-L53 HydrophobicContact CE1-CD2 4.25Å; Y23-L55 HydrophobicContact CD1-CD1 4.18Å; Y23-L161 HydrophobicContact CD2-CG 4.38Å; Y23-F165 VanDerWaalsContact CB-CE2 3.41Å; Y23-F165 HydrophobicContact CD1-CD1 4.16Å; Y23-F165 AromaticContact CD1-CD2 3.73Å; Y23-F165 HydrophobicContact CD1-CD2 3.73Å; Y23-F165 HydrophobicContact CD1-CE1 4.2Å; Y23-F165 AromaticContact CD1-CE2 3.8Å; Y23-F165 HydrophobicContact CD1-CE2 3.8Å; Y23-F165 AromaticContact CD1-CG 3.92Å; Y23-F165 HydrophobicContact CD1-CG 3.92Å; Y23-F165 HydrophobicContact CD1-CZ 4.02Å; Y23-F165 HydrophobicContact CD2-CB 4.49Å; Y23-F165 AromaticContact CD2-CD2 3.26Å; Y23-F165 HydrophobicContact CD2-CD2 3.26Å; Y23-F165 AromaticContact CD2-CE2 3.65Å; Y23-F165 HydrophobicContact CD2-CE2 3.65Å; Y23-F165 HydrophobicContact CD2-CG 4.03Å; Y23-F165 HydrophobicContact CE1-CB 4.05Å; Y23-F165 HydrophobicContact CE1-CD1 4.1Å; Y23-F165 AromaticContact CE1-CD2 3.95Å; Y23-F165 HydrophobicContact CE1-CD2 3.95Å; Y23-F165 HydrophobicContact CE1-CE2 4.46Å; Y23-F165 AromaticContact CE1-CG 3.75Å; Y23-F165 HydrophobicContact CE1-CG 3.75Å; Y23-F165 HydrophobicContact CE2-CB 3.83Å; Y23-F165 AromaticContact CE2-CD2 3.49Å; Y23-F165 HydrophobicContact CE2-CD2 3.49Å; Y23-F165 VanDerWaalsContact CE2-CD2 3.49Å; Y23-F165 HydrophobicContact CE2-CE2 4.31Å; Y23-F165 AromaticContact CE2-CG 3.85Å; Y23-F165 HydrophobicContact CE2-CG 3.85Å; Y23-F165 AromaticContact CG-CD2 3.37Å; Y23-F165 HydrophobicContact CG-CD2 3.37Å; Y23-F165 AromaticContact CG-CE2 3.33Å; Y23-F165 HydrophobicContact CG-CE2 3.33Å; Y23-F165 HydrophobicContact CG-CG 4.04Å; Y23-F165 AromaticContact CG-CZ 3.95Å; Y23-F165 HydrophobicContact CG-CZ 3.95Å; Y23-F165 AromaticContact CZ-CD2 3.81Å; Y23-F165 AromaticContact CZ-CG 3.69Å |
| 24 | T | 94.4 | Very high | 92.4 | Very high | 47 Ų | 47 | 54 Ų | 54 | 29% | 0.288 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -86.8 | -27.6 | -173 | 53 | 0 | 0 | 0 | 0 | 113.6 | L20 I21 L55 | L20-T24 WeakPolarHBondContact O-CB 3.49Å; L20-T24 WeakPolarHBondContact O-CG2 3.36Å; L20-T24 PolarHBondContact O-N 2.91Å; L20-T24 PolarHBondContact O-OG1 2.93Å; I21-T24 PolarHBondContact O-N 3.32Å; I21-T24 PolarHBondContact O-OG1 2.65Å; T24-L55 HydrophobicContact CG2-CD1 3.67Å |
| 25 | T | 93 | Very high | 92 | Very high | 80 Ų | 80 | 54.7 Ų | 54.7 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -114.5 | -7.4 | -174.4 | 70.2 | 0 | 0 | 0 | 0 | 113.6 | I21 A27 | I21-T25 HydrophobicContact CG2-CG2 4.27Å; I21-T25 WeakPolarHBondContact CG2-OG1 3.2Å; I21-T25 WeakPolarHBondContact O-CB 3.49Å; I21-T25 PolarHBondContact O-N 2.83Å; I21-T25 PolarHBondContact O-OG1 2.8Å; T25-A27 PolarHBondContact O-N 3.3Å; T25-A27 PolarHBondContact OG1-N 2.92Å |
| 26 | N | 92.7 | Very high | 91.4 | Very high | 117 Ų | 117 | 57.2 Ų | 57.2 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | S | Bend | trans | 58.6 | 27.9 | -173.7 | -160.5 | 44 | 0 | 0 | 0 | 113.4 | S22 Q158 | S22-N26 WeakPolarHBondContact O-CA 3.41Å; S22-N26 PolarHBondContact O-N 3.37Å; N26-Q158 PolarHBondContact OD1-NE2 2.76Å; N26-Q158 PolarHBondContact OD1-OE1 3.36Å |
| 27 | A | 92.6 | Very high | 91 | Very high | 50 Ų | 50 | 60.5 Ų | 60.5 | 41% | 0.413 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -139.7 | 146.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S22 T25 | S22-A27 WeakPolarHBondContact CA-O 3.33Å; S22-A27 PolarHBondContact N-O 2.98Å; T25-A27 PolarHBondContact O-N 3.3Å; T25-A27 PolarHBondContact OG1-N 2.92Å |
| 28 | F | 91.4 | Very high | 90.8 | Very high | 97 Ų | 97 | 62.9 Ų | 62.9 | 43% | 0.425 | 36% | 0.355 | S | S | . | . | trans | -92 | 128.2 | 174 | -173 | -96.7 | 0 | 0 | 0 | 110.4 | C18 G30 A155 L156 | C18-F28 HydrophobicContact CB-CD2 4.36Å; C18-F28 HydrophobicContact CB-CE2 3.79Å; C18-F28 HydrophobicContact CB-CZ 4.46Å; F28-G30 PolarHBondContact O-N 3.49Å; F28-A155 HydrophobicContact CD2-CB 4.03Å; F28-A155 HydrophobicContact CE2-CB 4.01Å; F28-L156 HydrophobicContact CB-CD1 4.21Å; F28-L156 HydrophobicContact CD1-CD1 3.81Å; F28-L156 HydrophobicContact CD2-CB 3.99Å; F28-L156 HydrophobicContact CD2-CD1 4.28Å; F28-L156 HydrophobicContact CE1-CD1 4.23Å; F28-L156 HydrophobicContact CE2-CB 4.03Å; F28-L156 HydrophobicContact CG-CB 4.4Å; F28-L156 HydrophobicContact CG-CD1 3.83Å; F28-L156 HydrophobicContact CZ-CB 4.5Å | ||
| 29 | P | 88.5 | Confident | 90.6 | Very high | 30 Ų | 30 | 66 Ų | 66 | 20% | 0.195 | 37% | 0.37 | C | S | . | . | trans | -68.4 | 132.4 | 179.8 | 28.4 | -34.2 | 0 | 0 | 0 | 110.9 | C18 I21 | C18-P29 HydrophobicContact CB-CG 4.27Å; I21-P29 HydrophobicContact CD1-CB 4.34Å; I21-P29 HydrophobicContact CD1-CG 4.27Å; I21-P29 HydrophobicContact CG2-CG 4.47Å | ||
| 30 | G | 80.2 | Confident | 90.5 | Very high | 83 Ų | 83 | 68.6 Ų | 68.6 | 86% | 0.856 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -77.3 | -27.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F28 | F28-G30 PolarHBondContact O-N 3.49Š|
| 31 | E | 83.4 | Confident | 90.3 | Very high | 172 Ų | 172 | 72.5 Ų | 72.5 | 80% | 0.804 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -115.6 | 143.6 | -179.7 | -66.3 | -176.2 | 179.4 | 0 | 0 | 111 | ||
| 32 | Y | 78 | Confident | 90.3 | Very high | 130 Ų | 130 | 71.6 Ų | 71.6 | 51% | 0.51 | 41% | 0.405 | S | S | . | . | trans | -97.6 | 120.5 | 176 | 174.8 | -110.5 | 0 | 0 | 0 | 110.8 | A13 P34 | A13-Y32 HydrophobicContact CB-CE1 4.33Å; A13-Y32 HydrophobicContact CB-CE2 4.44Å; A13-Y32 PolarHBondContact N-OH 3.32Å; Y32-P34 HydrophobicContact CE1-CG 3.84Å | ||
| 33 | V | 84.3 | Confident | 90.2 | Very high | 106 Ų | 106 | 77 Ų | 77 | 64% | 0.642 | 43% | 0.434 | S | S | * | . | trans | -118.9 | 125.5 | 169.3 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | T35 | V33-T35 PolarHBondContact O-N 2.96Š| ||
| 34 | P | 88.8 | Confident | 90.1 | Very high | 59 Ų | 59 | 76 Ų | 76 | 38% | 0.383 | 43% | 0.432 | S | S | . | . | trans | -62.1 | 118.8 | 175.4 | -21 | 31.4 | 0 | 0 | 0 | 111.6 | Y32 Q61 | Y32-P34 HydrophobicContact CE1-CG 3.84Å; P34-Q61 VanDerWaalsContact CB-NE2 3.28Å | ||
| 35 | T | 89.3 | Confident | 90.1 | Very high | 18 Ų | 18 | 79.4 Ų | 79.4 | 11% | 0.11 | 45% | 0.447 | C | S | . | . | trans | -71 | 136.8 | 178.8 | -53.5 | 0 | 0 | 0 | 0 | 111.6 | T17 V33 D38 D57 A59 | T17-T35 PolarHBondContact OG1-OG1 2.91Å; V33-T35 PolarHBondContact O-N 2.96Å; T35-D38 HydrophobicContact CG2-CB 4.46Å; T35-D57 HydrophobicContact CG2-CB 4.27Å; T35-D57 PolarHBondContact OG1-OD2 2.96Å; T35-A59 WeakPolarHBondContact O-CA 3.45Å; T35-A59 VanDerWaalsContact O-CB 3.29Å; T35-A59 WeakPolarHBondContact O-CB 3.17Å | ||
| 36 | V | 86 | Confident | 90.1 | Very high | 67 Ų | 67 | 75.7 Ų | 75.7 | 41% | 0.406 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -87.2 | -58.5 | 164.7 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | A59 Y64 L67 | V36-A59 WeakPolarHBondContact O-CB 3.23Å; V36-A59 PolarHBondContact O-N 3.09Å; V36-A59 VanDerWaalsContact O-N 3.07Å; V36-Y64 HydrophobicContact CB-CE1 4.33Å; V36-Y64 HydrophobicContact CG1-CD1 3.99Å; V36-Y64 HydrophobicContact CG1-CE1 3.58Å; V36-Y64 HydrophobicContact CG2-CE1 4.03Å; V36-Y64 WeakPolarHBondContact CG2-OH 3.34Å; V36-L67 HydrophobicContact CG1-CD2 4.17Å |
| 37 | F | 89.4 | Confident | 90.1 | Very high | 80 Ų | 80 | 73.6 Ų | 73.6 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.1 | 138.6 | 175.5 | 174.6 | -107.1 | 0 | 0 | 0 | 109.6 | N39 W56 D57 S71 | F37-N39 WeakPolarHBondContact CE1-ND2 3.18Å; F37-N39 VanDerWaalsContact CZ-CG 3.5Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.2Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.5Å; F37-W56 HydrophobicContact CE2-CB 4.33Å; F37-W56 AromaticContact CE2-CD1 3.72Å; F37-W56 HydrophobicContact CE2-CG 4.41Å; F37-W56 AromaticContact CZ-CD1 3.66Å; F37-D57 WeakPolarHBondContact CA-O 3.22Å; F37-D57 WeakPolarHBondContact CD2-O 3.34Å; F37-S71 WeakPolarHBondContact CD2-OG 3.41Å; F37-S71 WeakPolarHBondContact CE2-OG 3.45Å |
| 38 | D | 92.9 | Very high | 90.1 | Very high | 76 Ų | 76 | 82.4 Ų | 82.4 | 41% | 0.406 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 155.4 | 172 | -85.2 | -48.2 | 0 | 0 | 0 | 110.6 | T35 Y40 D57 | T35-D38 HydrophobicContact CG2-CB 4.46Å; D38-Y40 HydrophobicContact CB-CE2 3.74Å; D38-D57 HydrophobicContact CB-CB 4.19Å; D38-D57 PolarHBondContact N-O 3.36Å; D38-D57 PolarHBondContact O-N 3.48Å |
| 39 | N | 93.6 | Very high | 90.1 | Very high | 88 Ų | 88 | 82.4 Ų | 82.4 | 47% | 0.471 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.1 | 173.5 | -65 | -53.6 | 0 | 0 | 0 | 111.1 | F37 L55 W56 | F37-N39 WeakPolarHBondContact CE1-ND2 3.18Å; F37-N39 VanDerWaalsContact CZ-CG 3.5Å; F37-N39 WeakPolarHBondContact CZ-ND2 3.2Å; F37-N39 WeakPolarHBondContact CZ-OD1 3.5Å; N39-L55 CarbonylContact C-O 3.56Å; N39-L55 WeakPolarHBondContact CA-O 3.48Å; N39-W56 VanDerWaalsContact OD1-CG 3.29Å; N39-W56 PolarHBondContact OD1-NE1 2.92Å |
| 40 | Y | 94.8 | Very high | 90.5 | Very high | 57 Ų | 57 | 84 Ų | 84 | 22% | 0.224 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 164.1 | 171.1 | -51.5 | -99.8 | 0 | 0 | 0 | 109.4 | L20 I21 D38 L55 D57 | L20-Y40 HydrophobicContact CB-CD2 4.26Å; L20-Y40 HydrophobicContact CB-CE2 4.36Å; L20-Y40 HydrophobicContact CD1-CD2 4.19Å; L20-Y40 HydrophobicContact CD1-CE2 4.3Å; I21-Y40 HydrophobicContact CG1-CE1 4.18Å; D38-Y40 HydrophobicContact CB-CE2 3.74Å; Y40-L55 PolarHBondContact N-O 3.4Å; Y40-L55 PolarHBondContact O-N 3.44Å; Y40-D57 HydrophobicContact CE2-CB 4.24Å |
| 41 | S | 94.6 | Very high | 91.3 | Very high | 82 Ų | 82 | 80 Ų | 80 | 57% | 0.573 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142 | 148.8 | 170.2 | 66.2 | 0 | 0 | 0 | 0 | 110.8 | L53 | S41-L53 CarbonylContact C-O 3.47Å; S41-L53 VanDerWaalsContact CA-O 3.25Å; S41-L53 WeakPolarHBondContact CA-O 3.35Å |
| 42 | A | 93.8 | Very high | 92 | Very high | 17 Ų | 17 | 74.6 Ų | 74.6 | 14% | 0.14 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 133.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y23 V44 L53 | Y23-A42 HydrophobicContact CE1-CB 4.18Å; A42-V44 HydrophobicContact CB-CG1 3.78Å; A42-L53 PolarHBondContact N-O 3.25Å; A42-L53 PolarHBondContact O-N 3.07Å |
| 43 | N | 95.2 | Very high | 93 | Very high | 117 Ų | 117 | 68.4 Ų | 68.4 | 63% | 0.626 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 117 | 167.6 | -68.6 | -36.3 | 0 | 0 | 0 | 108.1 | V51 N52 | N43-V51 WeakPolarHBondContact CA-O 3.16Å; N43-N52 PolarHBondContact OD1-ND2 2.89Å |
| 44 | V | 94.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 63.7 Ų | 63.7 | 13% | 0.133 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 148.8 | -169.2 | -59.8 | 0 | 0 | 0 | 0 | 111.2 | Y23 A42 V46 V51 L53 I169 | Y23-V44 WeakPolarHBondContact OH-CG1 3.49Å; A42-V44 HydrophobicContact CB-CG1 3.78Å; V44-V46 HydrophobicContact CG2-CG2 4.4Å; V44-V51 HydrophobicContact CG2-CB 4.12Å; V44-V51 HydrophobicContact CG2-CG1 4.48Å; V44-V51 PolarHBondContact N-O 2.85Å; V44-V51 PolarHBondContact O-N 3.37Å; V44-L53 HydrophobicContact CG2-CB 4.3Å; V44-I169 HydrophobicContact CG2-CD1 3.39Å |
| 45 | M | 94.6 | Very high | 94.1 | Very high | 120 Ų | 120 | 60.9 Ų | 60.9 | 59% | 0.591 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 110.7 | 176.4 | -73 | -66.2 | -69.4 | 0 | 0 | 109.3 | P50 | M45-P50 WeakPolarHBondContact SD-CA 3.37Å; M45-P50 HydrophobicContact SD-CB 3.54Å; M45-P50 VanDerWaalsContact SD-CB 3.54Å; M45-P50 HydrophobicContact SD-CG 4.3Å |
| 46 | V | 93.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124.3 | 176 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | V44 R48 K49 I169 R170 | V44-V46 HydrophobicContact CG2-CG2 4.4Å; V46-R48 PolarHBondContact O-N 3.23Å; V46-K49 PolarHBondContact N-O 2.86Å; V46-K49 VanDerWaalsContact N-O 3.07Å; V46-K49 WeakPolarHBondContact O-CB 3.45Å; V46-K49 PolarHBondContact O-N 2.98Å; V46-I169 HydrophobicContact CB-CG2 3.85Å; V46-I169 HydrophobicContact CG1-CG2 4.05Å; V46-I169 HydrophobicContact CG2-CB 4.16Å; V46-I169 HydrophobicContact CG2-CD1 3.62Å; V46-I169 HydrophobicContact CG2-CG2 3.91Å; V46-R170 HydrophobicContact CG1-CG 3.98Å |
| 47 | D | 92.8 | Very high | 95.1 | Very high | 72 Ų | 72 | 59.7 Ų | 59.7 | 39% | 0.385 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.3 | 43.2 | -179.1 | -53.4 | -22.6 | 0 | 0 | 0 | 113.1 | K49 R170 M174 | D47-K49 PolarHBondContact O-N 2.83Å; D47-R170 IonicContact OD1-CZ 2.88Å; D47-R170 IonicContact OD1-NE 3.35Å; D47-R170 PolarHBondContact OD1-NE 2.88Å; D47-R170 IonicContact OD1-NH2 3.95Å; D47-R170 PolarHBondContact OD1-NH2 3.14Å; D47-R170 IonicContact OD2-CZ 3.03Å; D47-R170 IonicContact OD2-NE 3.17Å; D47-R170 PolarHBondContact OD2-NE 3.11Å; D47-R170 IonicContact OD2-NH2 2.72Å; D47-M174 HydrophobicContact CB-CE 3.96Å; D47-M174 WeakPolarHBondContact OD2-CE 3.5Å |
| 48 | R | 92.6 | Very high | 95.5 | Very high | 236 Ų | 236 | 56 Ų | 56 | 89% | 0.891 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.1 | 14.7 | -176.7 | -51.6 | 178.9 | -175.8 | 178 | 0.6 | 114.9 | V46 | V46-R48 PolarHBondContact O-N 3.23Š|
| 49 | K | 92.3 | Very high | 95.7 | Very high | 97 Ų | 97 | 52.5 Ų | 52.5 | 42% | 0.422 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 125 | 174.4 | -64.2 | 179.8 | 178.5 | -179.8 | 0 | 110.4 | V46 D47 L173 | V46-K49 PolarHBondContact N-O 2.86Å; V46-K49 VanDerWaalsContact N-O 3.07Å; V46-K49 WeakPolarHBondContact O-CB 3.45Å; V46-K49 PolarHBondContact O-N 2.98Å; D47-K49 PolarHBondContact O-N 2.83Å; K49-L173 HydrophobicContact CB-CD1 4.43Å; K49-L173 HydrophobicContact CD-CD1 4.11Å |
| 50 | P | 95.7 | Very high | 95.7 | Very high | 62 Ų | 62 | 48.9 Ų | 48.9 | 40% | 0.403 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 129.3 | 173.1 | 28.9 | -32.5 | 0 | 0 | 0 | 110.6 | M1 M45 | M1-P50 HydrophobicContact CE-CB 4.05Å; M1-P50 HydrophobicContact CG-CB 4.05Å; M1-P50 WeakPolarHBondContact CG-O 3.11Å; M1-P50 HydrophobicContact SD-CB 4.38Å; M45-P50 WeakPolarHBondContact SD-CA 3.37Å; M45-P50 HydrophobicContact SD-CB 3.54Å; M45-P50 VanDerWaalsContact SD-CB 3.54Å; M45-P50 HydrophobicContact SD-CG 4.3Å |
| 51 | V | 97.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.006 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 136.5 | 179.7 | 174 | 0 | 0 | 0 | 0 | 109.2 | M1 Q2 I4 N43 V44 L53 I169 L173 | M1-V51 VanDerWaalsContact SD-C 3.59Å; Q2-V51 WeakPolarHBondContact O-CA 3.48Å; I4-V51 HydrophobicContact CB-CG1 4.09Å; I4-V51 HydrophobicContact CD1-CG1 3.69Å; I4-V51 HydrophobicContact CD1-CG2 4.36Å; I4-V51 HydrophobicContact CG1-CG1 3.83Å; N43-V51 WeakPolarHBondContact CA-O 3.16Å; V44-V51 HydrophobicContact CG2-CB 4.12Å; V44-V51 HydrophobicContact CG2-CG1 4.48Å; V44-V51 PolarHBondContact N-O 2.85Å; V44-V51 PolarHBondContact O-N 3.37Å; V51-L53 HydrophobicContact CG1-CB 4.48Å; V51-I169 HydrophobicContact CG1-CD1 4.31Å; V51-I169 HydrophobicContact CG1-CG1 4.39Å; V51-I169 HydrophobicContact CG1-CG2 4.49Å; V51-I169 HydrophobicContact CG2-CG2 3.94Å; V51-L173 HydrophobicContact CG2-CD1 3.9Å |
| 52 | N | 97.8 | Very high | 95.4 | Very high | 57 Ų | 57 | 52.2 Ų | 52.2 | 31% | 0.305 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 104.9 | 164.2 | -178 | -77.6 | 0 | 0 | 0 | 107 | M1 Q2 A3 I4 N43 | M1-N52 HydrophobicContact CG-CB 4.31Å; M1-N52 HydrophobicContact SD-CB 3.93Å; Q2-N52 PolarHBondContact O-N 2.92Å; A3-N52 CarbonylContact C-O 3.53Å; A3-N52 VanDerWaalsContact CA-O 3.3Å; A3-N52 WeakPolarHBondContact CA-O 3.3Å; I4-N52 PolarHBondContact N-O 2.93Å; N43-N52 PolarHBondContact OD1-ND2 2.89Å |
| 53 | L | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 111.7 | 179.7 | -177.1 | 67.2 | 0 | 0 | 0 | 108.3 | I4 C6 Y23 S41 A42 V44 V51 L55 F165 I169 | I4-L53 HydrophobicContact CB-CD1 4.13Å; I4-L53 HydrophobicContact CG2-CD1 3.91Å; C6-L53 HydrophobicContact CB-CD1 3.78Å; Y23-L53 HydrophobicContact CE1-CD2 4.25Å; S41-L53 CarbonylContact C-O 3.47Å; S41-L53 VanDerWaalsContact CA-O 3.25Å; S41-L53 WeakPolarHBondContact CA-O 3.35Å; A42-L53 PolarHBondContact N-O 3.25Å; A42-L53 PolarHBondContact O-N 3.07Å; V44-L53 HydrophobicContact CG2-CB 4.3Å; V51-L53 HydrophobicContact CG1-CB 4.48Å; L53-L55 HydrophobicContact CD1-CD2 4.5Å; L53-L55 HydrophobicContact CD2-CD2 3.64Å; L53-L55 HydrophobicContact CD2-CG 4.23Å; L53-L55 HydrophobicContact CG-CD2 3.82Å; L53-L55 HydrophobicContact CG-CG 4.15Å; L53-F165 HydrophobicContact CD2-CB 4.34Å; L53-F165 HydrophobicContact CD2-CD1 3.92Å; L53-F165 HydrophobicContact CD2-CG 4.5Å; L53-I169 HydrophobicContact CD1-CD1 4.42Å; L53-I169 HydrophobicContact CD1-CG1 4.09Å; L53-I169 HydrophobicContact CD2-CD1 4.11Å |
| 54 | G | 98.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 56 Ų | 56 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 143.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | I4 C6 W56 | I4-G54 PolarHBondContact O-N 3.18Å; C6-G54 WeakPolarHBondContact CB-O 3.42Å; C6-G54 PolarHBondContact N-O 3.23Å; G54-W56 WeakPolarHBondContact O-CZ3 3.44Å |
| 55 | L | 98.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 112.1 | -172.8 | -64.4 | 167 | 0 | 0 | 0 | 108.5 | C6 L20 Y23 T24 N39 Y40 L53 F165 | C6-L55 HydrophobicContact CB-CD2 4.07Å; C6-L55 WeakPolarHBondContact O-CA 3.22Å; L20-L55 HydrophobicContact CD2-CB 3.9Å; L20-L55 HydrophobicContact CD2-CD1 4.05Å; L20-L55 HydrophobicContact CD2-CD2 3.86Å; L20-L55 HydrophobicContact CD2-CG 4.14Å; Y23-L55 HydrophobicContact CD1-CD1 4.18Å; T24-L55 HydrophobicContact CG2-CD1 3.67Å; N39-L55 CarbonylContact C-O 3.56Å; N39-L55 WeakPolarHBondContact CA-O 3.48Å; Y40-L55 PolarHBondContact N-O 3.4Å; Y40-L55 PolarHBondContact O-N 3.44Å; L53-L55 HydrophobicContact CD1-CD2 4.5Å; L53-L55 HydrophobicContact CD2-CD2 3.64Å; L53-L55 HydrophobicContact CD2-CG 4.23Å; L53-L55 HydrophobicContact CG-CD2 3.82Å; L53-L55 HydrophobicContact CG-CG 4.15Å; L55-F165 HydrophobicContact CD2-CD1 3.92Å; L55-F165 HydrophobicContact CD2-CE1 3.6Å |
| 56 | W | 98.5 | Very high | 95.5 | Very high | 61 Ų | 61 | 63.3 Ų | 63.3 | 23% | 0.231 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 105.8 | -179.8 | -74.8 | -111.1 | 0 | 0 | 0 | 108.4 | K5 C6 V7 V8 F37 N39 G54 | K5-W56 VanDerWaalsContact CA-CZ3 3.5Å; K5-W56 HydrophobicContact CB-CE3 4.27Å; K5-W56 HydrophobicContact CB-CH2 3.83Å; K5-W56 HydrophobicContact CB-CZ3 3.65Å; K5-W56 HydrophobicContact CD-CD2 4.1Å; K5-W56 HydrophobicContact CD-CE3 4.19Å; K5-W56 HydrophobicContact CD-CH2 3.84Å; K5-W56 HydrophobicContact CD-CZ2 3.74Å; K5-W56 HydrophobicContact CD-CZ3 4.06Å; K5-W56 HydrophobicContact CG-CD2 3.94Å; K5-W56 HydrophobicContact CG-CE3 3.56Å; K5-W56 HydrophobicContact CG-CH2 3.68Å; K5-W56 HydrophobicContact CG-CZ2 4.05Å; K5-W56 HydrophobicContact CG-CZ3 3.41Å; K5-W56 VanDerWaalsContact CG-CZ3 3.41Å; C6-W56 PolarHBondContact O-N 3.08Å; V7-W56 HydrophobicContact CB-CB 4.31Å; V7-W56 HydrophobicContact CG1-CB 4.31Å; V7-W56 HydrophobicContact CG2-CB 3.88Å; V7-W56 HydrophobicContact CG2-CG 4.23Å; V8-W56 PolarHBondContact N-O 3.01Å; F37-W56 HydrophobicContact CE2-CB 4.33Å; F37-W56 AromaticContact CE2-CD1 3.72Å; F37-W56 HydrophobicContact CE2-CG 4.41Å; F37-W56 AromaticContact CZ-CD1 3.66Å; N39-W56 VanDerWaalsContact OD1-CG 3.29Å; N39-W56 PolarHBondContact OD1-NE1 2.92Å; G54-W56 WeakPolarHBondContact O-CZ3 3.44Å |
| 57 | D | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 137.4 | 172.8 | -161.7 | 6.8 | 0 | 0 | 0 | 110 | T17 L20 T35 F37 D38 Y40 | T17-D57 WeakPolarHBondContact CA-OD2 3.45Å; T17-D57 VanDerWaalsContact CB-OD2 3.22Å; T17-D57 WeakPolarHBondContact CB-OD2 3.38Å; T17-D57 WeakPolarHBondContact CG2-OD2 3.15Å; T17-D57 PolarHBondContact OG1-OD2 3.17Å; L20-D57 HydrophobicContact CD1-CB 3.41Å; L20-D57 VanDerWaalsContact CD1-CB 3.41Å; T35-D57 HydrophobicContact CG2-CB 4.27Å; T35-D57 PolarHBondContact OG1-OD2 2.96Å; F37-D57 WeakPolarHBondContact CA-O 3.22Å; F37-D57 WeakPolarHBondContact CD2-O 3.34Å; D38-D57 HydrophobicContact CB-CB 4.19Å; D38-D57 PolarHBondContact N-O 3.36Å; D38-D57 PolarHBondContact O-N 3.48Å; Y40-D57 HydrophobicContact CE2-CB 4.24Å |
| 58 | T | 97.8 | Very high | 95.8 | Very high | 3 Ų | 3 | 64.2 Ų | 64.2 | 2% | 0.018 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.8 | -174.4 | 71 | 0 | 0 | 0 | 0 | 113.2 | V7 V8 K16 G60 R68 | V7-T58 HydrophobicContact CG1-CG2 3.8Å; V8-T58 PolarHBondContact O-OG1 2.79Å; K16-T58 WeakPolarHBondContact CE-O 3.33Å; K16-T58 PolarHBondContact NZ-O 3.09Å; T58-G60 PolarHBondContact O-N 3.07Å; T58-R68 HydrophobicContact CG2-CG 4.21Å |
| 59 | A | 96.2 | Very high | 96 | Very high | 2 Ų | 2 | 53.9 Ų | 53.9 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | trans | -60.2 | 132.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T35 V36 Y64 R68 | T35-A59 WeakPolarHBondContact O-CA 3.45Å; T35-A59 VanDerWaalsContact O-CB 3.29Å; T35-A59 WeakPolarHBondContact O-CB 3.17Å; V36-A59 WeakPolarHBondContact O-CB 3.23Å; V36-A59 PolarHBondContact O-N 3.09Å; V36-A59 VanDerWaalsContact O-N 3.07Å; A59-Y64 HydrophobicContact CB-CD1 4.44Å; A59-Y64 HydrophobicContact CB-CD2 3.5Å; A59-Y64 HydrophobicContact CB-CE2 4.33Å; A59-Y64 HydrophobicContact CB-CG 3.56Å; A59-R68 PolarHBondContact O-NE 3.38Å; A59-R68 PolarHBondContact O-NH2 2.96Å | ||
| 60 | G | 94.1 | Very high | 96.2 | Very high | 11 Ų | 11 | 55.4 Ų | 55.4 | 11% | 0.113 | 27% | 0.27 | C | S | . | . | trans | -92.3 | -1.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115 | G10 G12 T58 | G10-G60 WeakPolarHBondContact O-CA 3.39Å; G12-G60 PolarHBondContact N-O 2.87Å; G12-G60 VanDerWaalsContact N-O 3.12Å; T58-G60 PolarHBondContact O-N 3.07Å | ||
| 61 | Q | 92.5 | Very high | 96.2 | Very high | 71 Ų | 71 | 53 Ų | 53 | 33% | 0.332 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -88.7 | 148.4 | -177.8 | -53.7 | 175.8 | 53.5 | 0 | 0 | 110.7 | P34 D63 Y64 R68 | P34-Q61 VanDerWaalsContact CB-NE2 3.28Å; Q61-D63 VanDerWaalsContact C-N 3.27Å; Q61-D63 PolarHBondContact O-N 2.63Å; Q61-Y64 HydrophobicContact CB-CD2 4.11Å; Q61-Y64 PolarHBondContact O-N 2.78Å; Q61-R68 PolarHBondContact O-NH2 3.31Å |
| 62 | E | 92.1 | Very high | 96.3 | Very high | 139 Ų | 139 | 53 Ų | 53 | 65% | 0.65 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -63.8 | -30.3 | -179.5 | -74.1 | 173.2 | -175.7 | 0 | 0 | 113.1 | Y64 D65 K96 | E62-Y64 PolarHBondContact O-N 2.77Å; E62-D65 VanDerWaalsContact O-CB 3.27Å; E62-D65 WeakPolarHBondContact O-CB 3.45Å; E62-D65 PolarHBondContact O-N 3.02Å; E62-K96 VanDerWaalsContact CG-NZ 3.28Å |
| 63 | D | 94.4 | Very high | 96.3 | Very high | 143 Ų | 143 | 54 Ų | 54 | 77% | 0.765 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -55.7 | -23.7 | 176.7 | -62.6 | -28.2 | 0 | 0 | 0 | 113.1 | Q61 | Q61-D63 VanDerWaalsContact C-N 3.27Å; Q61-D63 PolarHBondContact O-N 2.63Å |
| 64 | Y | 94.9 | Very high | 96.2 | Very high | 69 Ų | 69 | 62.3 Ų | 62.3 | 27% | 0.271 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -103 | 10.7 | 179.6 | -60.1 | -80 | 0 | 0 | 0 | 113.8 | V36 A59 Q61 E62 R66 L67 R68 | V36-Y64 HydrophobicContact CB-CE1 4.33Å; V36-Y64 HydrophobicContact CG1-CD1 3.99Å; V36-Y64 HydrophobicContact CG1-CE1 3.58Å; V36-Y64 HydrophobicContact CG2-CE1 4.03Å; V36-Y64 WeakPolarHBondContact CG2-OH 3.34Å; A59-Y64 HydrophobicContact CB-CD1 4.44Å; A59-Y64 HydrophobicContact CB-CD2 3.5Å; A59-Y64 HydrophobicContact CB-CE2 4.33Å; A59-Y64 HydrophobicContact CB-CG 3.56Å; Q61-Y64 HydrophobicContact CB-CD2 4.11Å; Q61-Y64 PolarHBondContact O-N 2.78Å; E62-Y64 PolarHBondContact O-N 2.77Å; Y64-R66 PolarHBondContact O-N 3.29Å; Y64-R66 VanDerWaalsContact O-N 3.12Å; Y64-L67 HydrophobicContact CD1-CD2 3.98Å; Y64-L67 PolarHBondContact O-N 2.65Å; Y64-R68 WeakPolarHBondContact O-CB 3.11Å; Y64-R68 PolarHBondContact O-N 3.41Å |
| 65 | D | 95.4 | Very high | 96.2 | Very high | 56 Ų | 56 | 62.4 Ų | 62.4 | 30% | 0.299 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -27.1 | -178.8 | -77.7 | -5.8 | 0 | 0 | 0 | 112.9 | E62 R68 P69 K96 | E62-D65 VanDerWaalsContact O-CB 3.27Å; E62-D65 WeakPolarHBondContact O-CB 3.45Å; E62-D65 PolarHBondContact O-N 3.02Å; D65-R68 IonicContact OD1-CZ 3.3Å; D65-R68 VanDerWaalsContact OD1-CZ 3.24Å; D65-R68 IonicContact OD1-NH1 2.78Å; D65-R68 PolarHBondContact OD1-NH1 2.82Å; D65-R68 IonicContact OD1-NH2 2.77Å; D65-R68 PolarHBondContact OD1-NH2 3Å; D65-P69 WeakPolarHBondContact O-CD 3.48Å; D65-P69 WeakPolarHBondContact O-CG 3.45Å; D65-K96 WeakPolarHBondContact OD1-CE 3.44Å; D65-K96 IonicContact OD1-NZ 3.82Å; D65-K96 PolarHBondContact OD1-NZ 3.03Å; D65-K96 IonicContact OD2-NZ 2.66Å; D65-K96 PolarHBondContact OD2-NZ 3.49Å |
| 66 | R | 94.5 | Very high | 96.2 | Very high | 240 Ų | 240 | 65.3 Ų | 65.3 | 91% | 0.906 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.7 | -26.3 | 174.5 | -65.3 | -174.7 | 179.7 | 178.7 | 0.9 | 114 | Y64 | Y64-R66 PolarHBondContact O-N 3.29Å; Y64-R66 VanDerWaalsContact O-N 3.12Å |
| 67 | L | 95 | Very high | 96.2 | Very high | 87 Ų | 87 | 62.4 Ų | 62.4 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -39.7 | -176.7 | -174.3 | 67.8 | 0 | 0 | 0 | 111.4 | V36 Y64 P69 L70 | V36-L67 HydrophobicContact CG1-CD2 4.17Å; Y64-L67 HydrophobicContact CD1-CD2 3.98Å; Y64-L67 PolarHBondContact O-N 2.65Å; L67-P69 VanDerWaalsContact C-CD 3.5Å; L67-L70 HydrophobicContact CD1-CD1 3.8Å; L67-L70 VanDerWaalsContact O-CB 3.28Å; L67-L70 WeakPolarHBondContact O-CB 3.35Å; L67-L70 WeakPolarHBondContact O-CG 3.33Å; L67-L70 PolarHBondContact O-N 3.07Å |
| 68 | R | 96.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 62.4 Ų | 62.4 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -52.3 | -44.9 | -176.6 | -173.2 | -171.6 | -44.1 | 108.2 | 7.4 | 113.3 | T58 A59 Q61 Y64 D65 L70 S71 Y72 W97 E100 | T58-R68 HydrophobicContact CG2-CG 4.21Å; A59-R68 PolarHBondContact O-NE 3.38Å; A59-R68 PolarHBondContact O-NH2 2.96Å; Q61-R68 PolarHBondContact O-NH2 3.31Å; Y64-R68 WeakPolarHBondContact O-CB 3.11Å; Y64-R68 PolarHBondContact O-N 3.41Å; D65-R68 IonicContact OD1-CZ 3.3Å; D65-R68 VanDerWaalsContact OD1-CZ 3.24Å; D65-R68 IonicContact OD1-NH1 2.78Å; D65-R68 PolarHBondContact OD1-NH1 2.82Å; D65-R68 IonicContact OD1-NH2 2.77Å; D65-R68 PolarHBondContact OD1-NH2 3Å; R68-L70 PolarHBondContact O-N 3.38Å; R68-L70 VanDerWaalsContact O-N 3.09Å; R68-S71 WeakPolarHBondContact O-CB 3.41Å; R68-S71 PolarHBondContact O-N 3.36Å; R68-S71 PolarHBondContact O-OG 3.36Å; R68-Y72 WeakPolarHBondContact CD-OH 3.4Å; R68-Y72 HydrophobicContact CG-CE1 4.07Å; R68-Y72 WeakPolarHBondContact CG-OH 3.28Å; R68-W97 VanDerWaalsContact CZ-CH2 3.41Å; R68-E100 WeakPolarHBondContact CD-OE1 3.25Å; R68-E100 IonicContact CZ-OE1 2.63Å; R68-E100 IonicContact NH1-OE1 3.81Å; R68-E100 PolarHBondContact NH1-OE1 3.35Å; R68-E100 IonicContact NH1-OE2 3.87Å; R68-E100 PolarHBondContact NH1-OE2 3.23Å |
| 69 | P | 97.6 | Very high | 96.3 | Very high | 19 Ų | 19 | 62.3 Ų | 62.3 | 12% | 0.123 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -65.5 | -15.4 | -177.9 | -23.3 | 36.3 | 0 | 0 | 0 | 114.8 | D65 L67 S71 Y72 P73 H104 | D65-P69 WeakPolarHBondContact O-CD 3.48Å; D65-P69 WeakPolarHBondContact O-CG 3.45Å; L67-P69 VanDerWaalsContact C-CD 3.5Å; P69-S71 PolarHBondContact O-N 2.92Å; P69-S71 VanDerWaalsContact O-N 3.17Å; P69-Y72 VanDerWaalsContact CA-CD2 3.49Å; P69-Y72 HydrophobicContact CB-CD2 3.77Å; P69-Y72 HydrophobicContact CB-CE2 3.94Å; P69-Y72 HydrophobicContact CB-CG 4.49Å; P69-Y72 HydrophobicContact CG-CD2 4.44Å; P69-Y72 HydrophobicContact CG-CE2 4.1Å; P69-Y72 WeakPolarHBondContact O-CB 3.36Å; P69-Y72 PolarHBondContact O-N 3.05Å; P69-P73 WeakPolarHBondContact O-CD 3.29Å; P69-H104 WeakPolarHBondContact CB-NE2 3.16Å |
| 70 | L | 96.3 | Very high | 96.4 | Very high | 128 Ų | 128 | 62.2 Ų | 62.2 | 67% | 0.67 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -63.1 | -19.2 | 171.5 | -56.9 | -173 | 0 | 0 | 0 | 112.4 | L67 R68 P73 | L67-L70 HydrophobicContact CD1-CD1 3.8Å; L67-L70 VanDerWaalsContact O-CB 3.28Å; L67-L70 WeakPolarHBondContact O-CB 3.35Å; L67-L70 WeakPolarHBondContact O-CG 3.33Å; L67-L70 PolarHBondContact O-N 3.07Å; R68-L70 PolarHBondContact O-N 3.38Å; R68-L70 VanDerWaalsContact O-N 3.09Å; L70-P73 WeakPolarHBondContact O-CD 3.22Å |
| 71 | S | 96.9 | Very high | 96.6 | Very high | 13 Ų | 13 | 61.7 Ų | 61.7 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -81.6 | -15.1 | 174.4 | -57.3 | 0 | 0 | 0 | 0 | 113.3 | K5 F37 R68 P69 | K5-S71 WeakPolarHBondContact CE-O 3.42Å; K5-S71 PolarHBondContact NZ-O 3.2Å; F37-S71 WeakPolarHBondContact CD2-OG 3.41Å; F37-S71 WeakPolarHBondContact CE2-OG 3.45Å; R68-S71 WeakPolarHBondContact O-CB 3.41Å; R68-S71 PolarHBondContact O-N 3.36Å; R68-S71 PolarHBondContact O-OG 3.36Å; P69-S71 PolarHBondContact O-N 2.92Å; P69-S71 VanDerWaalsContact O-N 3.17Å |
| 72 | Y | 98.3 | Very high | 96.9 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | trans | -80.1 | -27.9 | -170.3 | -61.6 | -12.2 | 0 | 0 | 0 | 117.1 | V7 V9 R68 P69 Q74 T75 F78 E100 H104 V105 | V7-Y72 HydrophobicContact CG1-CD1 4.05Å; V7-Y72 HydrophobicContact CG1-CE1 3.98Å; V9-Y72 HydrophobicContact CG1-CE1 3.81Å; R68-Y72 WeakPolarHBondContact CD-OH 3.4Å; R68-Y72 HydrophobicContact CG-CE1 4.07Å; R68-Y72 WeakPolarHBondContact CG-OH 3.28Å; P69-Y72 VanDerWaalsContact CA-CD2 3.49Å; P69-Y72 HydrophobicContact CB-CD2 3.77Å; P69-Y72 HydrophobicContact CB-CE2 3.94Å; P69-Y72 HydrophobicContact CB-CG 4.49Å; P69-Y72 HydrophobicContact CG-CD2 4.44Å; P69-Y72 HydrophobicContact CG-CE2 4.1Å; P69-Y72 WeakPolarHBondContact O-CB 3.36Å; P69-Y72 PolarHBondContact O-N 3.05Å; Y72-Q74 PolarHBondContact O-N 2.93Å; Y72-T75 WeakPolarHBondContact CA-OG1 3.22Å; Y72-T75 WeakPolarHBondContact O-CB 3.35Å; Y72-T75 PolarHBondContact O-N 3.42Å; Y72-T75 VanDerWaalsContact O-N 3.1Å; Y72-T75 PolarHBondContact O-OG1 3.41Å; Y72-F78 AromaticContact CD1-CE1 3.69Å; Y72-F78 HydrophobicContact CD1-CE1 3.69Å; Y72-F78 HydrophobicContact CD1-CZ 4.02Å; Y72-F78 AromaticContact CE1-CE1 3.86Å; Y72-F78 HydrophobicContact CE1-CE1 3.86Å; Y72-F78 HydrophobicContact CG-CE1 4.23Å; Y72-F78 HydrophobicContact CG-CZ 4.13Å; Y72-E100 HydrophobicContact CE2-CG 4.16Å; Y72-E100 WeakPolarHBondContact CE2-OE1 3.47Å; Y72-E100 PolarHBondContact OH-OE1 2.9Å; Y72-H104 HydrophobicContact CD2-CB 3.74Å; Y72-H104 AromaticContact CD2-CG 3.84Å; Y72-V105 WeakPolarHBondContact O-CG2 2.89Å | ||
| 73 | P | 97.3 | Very high | 97.2 | Very high | 76 Ų | 76 | 51.8 Ų | 51.8 | 49% | 0.494 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | 135.9 | 179 | -29.5 | 36.3 | 0 | 0 | 0 | 112 | K5 P69 L70 T75 | K5-P73 PolarHBondContact NZ-O 2.87Å; P69-P73 WeakPolarHBondContact O-CD 3.29Å; L70-P73 WeakPolarHBondContact O-CD 3.22Å; P73-T75 PolarHBondContact O-N 2.66Å |
| 74 | Q | 96.1 | Very high | 97.4 | Very high | 175 Ų | 175 | 45 Ų | 45 | 82% | 0.818 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 25.4 | 179 | -51.9 | 173.6 | -46.1 | 0 | 0 | 114.3 | Y72 D76 | Y72-Q74 PolarHBondContact O-N 2.93Å; Q74-D76 PolarHBondContact O-N 2.87Å |
| 75 | T | 98.5 | Very high | 97.3 | Very high | 10 Ų | 10 | 43.2 Ų | 43.2 | 6% | 0.061 | 21% | 0.214 | C | C | . | . | trans | -68.7 | 126.5 | 172.8 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | V7 Y72 P73 V77 F78 | V7-T75 HydrophobicContact CB-CG2 3.96Å; V7-T75 HydrophobicContact CG2-CG2 3.65Å; V7-T75 WeakPolarHBondContact CG2-OG1 3.33Å; Y72-T75 WeakPolarHBondContact CA-OG1 3.22Å; Y72-T75 WeakPolarHBondContact O-CB 3.35Å; Y72-T75 PolarHBondContact O-N 3.42Å; Y72-T75 VanDerWaalsContact O-N 3.1Å; Y72-T75 PolarHBondContact O-OG1 3.41Å; P73-T75 PolarHBondContact O-N 2.66Å; T75-V77 WeakPolarHBondContact CG2-O 3.05Å; T75-F78 HydrophobicContact CG2-CD1 4.21Å; T75-F78 HydrophobicContact CG2-CD2 3.7Å; T75-F78 HydrophobicContact CG2-CE1 3.98Å; T75-F78 HydrophobicContact CG2-CE2 3.4Å; T75-F78 VanDerWaalsContact CG2-CE2 3.4Å; T75-F78 HydrophobicContact CG2-CG 4.09Å; T75-F78 HydrophobicContact CG2-CZ 3.58Å | ||
| 76 | D | 98.4 | Very high | 97.3 | Very high | 61 Ų | 61 | 42.6 Ų | 42.6 | 33% | 0.326 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -86.2 | -32.2 | 177.7 | -64.7 | -59.2 | 0 | 0 | 0 | 111.8 | I4 K5 Q74 P109 V172 | I4-D76 WeakPolarHBondContact CA-OD2 3.42Å; I4-D76 HydrophobicContact CG2-CB 3.97Å; K5-D76 PolarHBondContact N-OD2 3.46Å; K5-D76 WeakPolarHBondContact O-CB 3.35Å; K5-D76 PolarHBondContact O-N 2.76Å; Q74-D76 PolarHBondContact O-N 2.87Å; D76-P109 WeakPolarHBondContact O-CD 3.19Å; D76-P109 WeakPolarHBondContact O-CG 3.09Å; D76-V172 HydrophobicContact CB-CG1 4.11Å; D76-V172 HydrophobicContact CB-CG2 3.9Å; D76-V172 WeakPolarHBondContact O-CG2 3.31Å |
| 77 | V | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 145.5 | 178.3 | 60.5 | 0 | 0 | 0 | 0 | 111.3 | I4 K5 C6 V7 T75 P109 I111 A168 V172 | I4-V77 HydrophobicContact CG2-CG1 4.19Å; K5-V77 PolarHBondContact O-N 3.06Å; C6-V77 WeakPolarHBondContact CA-O 3.45Å; C6-V77 HydrophobicContact CB-CG1 3.81Å; V7-V77 PolarHBondContact N-O 3.23Å; V7-V77 VanDerWaalsContact N-O 3.07Å; T75-V77 WeakPolarHBondContact CG2-O 3.05Å; V77-P109 HydrophobicContact CB-CG 4.16Å; V77-P109 HydrophobicContact CG2-CG 4.13Å; V77-P109 WeakPolarHBondContact CG2-O 3.4Å; V77-I111 HydrophobicContact CG2-CG1 4.19Å; V77-A168 HydrophobicContact CG1-CB 4.08Å; V77-A168 HydrophobicContact CG2-CB 3.99Å; V77-V172 HydrophobicContact CB-CG2 3.74Å; V77-V172 HydrophobicContact CG1-CG2 4Å |
| 78 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 135.7 | 171.6 | -73.8 | -88.1 | 0 | 0 | 0 | 111.6 | V7 V9 Y72 T75 I101 V105 A108 P109 I110 I111 | V7-F78 HydrophobicContact CB-CD1 3.82Å; V7-F78 HydrophobicContact CB-CE1 3.71Å; V7-F78 HydrophobicContact CG1-CD1 4.15Å; V7-F78 HydrophobicContact CG1-CE1 3.88Å; V7-F78 HydrophobicContact CG2-CE1 4.39Å; V7-F78 WeakPolarHBondContact O-CA 3.39Å; V9-F78 HydrophobicContact CG1-CD1 4.22Å; V9-F78 HydrophobicContact CG1-CE1 4.4Å; Y72-F78 AromaticContact CD1-CE1 3.69Å; Y72-F78 HydrophobicContact CD1-CE1 3.69Å; Y72-F78 HydrophobicContact CD1-CZ 4.02Å; Y72-F78 AromaticContact CE1-CE1 3.86Å; Y72-F78 HydrophobicContact CE1-CE1 3.86Å; Y72-F78 HydrophobicContact CG-CE1 4.23Å; Y72-F78 HydrophobicContact CG-CZ 4.13Å; T75-F78 HydrophobicContact CG2-CD1 4.21Å; T75-F78 HydrophobicContact CG2-CD2 3.7Å; T75-F78 HydrophobicContact CG2-CE1 3.98Å; T75-F78 HydrophobicContact CG2-CE2 3.4Å; T75-F78 VanDerWaalsContact CG2-CE2 3.4Å; T75-F78 HydrophobicContact CG2-CG 4.09Å; T75-F78 HydrophobicContact CG2-CZ 3.58Å; F78-I101 HydrophobicContact CB-CD1 4.01Å; F78-I101 HydrophobicContact CD1-CD1 3.64Å; F78-I101 HydrophobicContact CD1-CG1 3.98Å; F78-I101 HydrophobicContact CD2-CD1 4.46Å; F78-I101 HydrophobicContact CD2-CG2 3.75Å; F78-I101 HydrophobicContact CE1-CD1 4.18Å; F78-I101 HydrophobicContact CE1-CG1 4Å; F78-I101 HydrophobicContact CE2-CG2 3.75Å; F78-I101 HydrophobicContact CG-CD1 3.78Å; F78-I101 HydrophobicContact CG-CG1 4.3Å; F78-I101 HydrophobicContact CG-CG2 4.16Å; F78-I101 HydrophobicContact CZ-CG1 4.35Å; F78-I101 HydrophobicContact CZ-CG2 4.15Å; F78-V105 HydrophobicContact CE2-CB 3.82Å; F78-V105 HydrophobicContact CE2-CG1 4.1Å; F78-V105 HydrophobicContact CE2-CG2 4.13Å; F78-V105 HydrophobicContact CZ-CB 4.19Å; F78-V105 HydrophobicContact CZ-CG2 4Å; F78-A108 HydrophobicContact CD2-CB 3.81Å; F78-A108 HydrophobicContact CE2-CB 3.83Å; F78-P109 PolarHBondContact N-O 3.24Å; F78-I110 HydrophobicContact CB-CG1 4.32Å; F78-I111 PolarHBondContact O-N 2.6Å |
| 79 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 110.9 | 157 | -62.2 | -175.6 | 0 | 0 | 0 | 107.8 | V7 V8 V9 L19 I111 V113 V164 F165 A168 | V7-L79 PolarHBondContact O-N 3.43Å; V8-L79 WeakPolarHBondContact CA-O 3.4Å; V8-L79 HydrophobicContact CB-CB 4.43Å; V8-L79 HydrophobicContact CG1-CB 4.08Å; V8-L79 HydrophobicContact CG2-CB 4.16Å; V8-L79 HydrophobicContact CG2-CD1 4.08Å; V8-L79 HydrophobicContact CG2-CG 4.46Å; V9-L79 PolarHBondContact N-O 2.91Å; L19-L79 HydrophobicContact CD2-CD1 4.1Å; L79-I111 HydrophobicContact CD2-CB 3.69Å; L79-I111 HydrophobicContact CD2-CG1 3.96Å; L79-I111 HydrophobicContact CD2-CG2 4.24Å; L79-V113 HydrophobicContact CB-CG2 4.37Å; L79-V113 HydrophobicContact CD2-CG2 4.08Å; L79-V164 HydrophobicContact CD1-CG1 3.73Å; L79-V164 HydrophobicContact CD2-CG1 3.75Å; L79-V164 HydrophobicContact CG-CG1 4.38Å; L79-F165 HydrophobicContact CD1-CD1 4.14Å; L79-F165 HydrophobicContact CD1-CE1 3.7Å; L79-F165 HydrophobicContact CD1-CZ 4.24Å; L79-A168 HydrophobicContact CD2-CB 3.89Å |
| 80 | M | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 104.9 | 175.6 | -170.2 | -176.5 | -68.7 | 0 | 0 | 108.6 | V9 V93 W97 I101 I110 I111 L112 V113 I145 | V9-M80 HydrophobicContact CG2-CB 4.35Å; V9-M80 HydrophobicContact CG2-CG 4.19Å; M80-V93 HydrophobicContact SD-CB 4.42Å; M80-V93 HydrophobicContact SD-CG1 3.66Å; M80-W97 HydrophobicContact CE-CB 4.18Å; M80-W97 HydrophobicContact CG-CB 4.03Å; M80-W97 HydrophobicContact SD-CB 3.91Å; M80-I101 HydrophobicContact CE-CD1 3.44Å; M80-I101 VanDerWaalsContact CE-CD1 3.44Å; M80-I101 HydrophobicContact CE-CG1 4.45Å; M80-I110 HydrophobicContact CB-CG2 3.82Å; M80-I110 HydrophobicContact CE-CD1 4.03Å; M80-I110 HydrophobicContact CE-CG2 3.97Å; M80-I110 HydrophobicContact SD-CG2 4.5Å; M80-I111 PolarHBondContact N-O 3.15Å; M80-L112 HydrophobicContact CG-CD1 4.5Å; M80-V113 PolarHBondContact O-N 2.93Å; M80-I145 HydrophobicContact CE-CD1 4.22Å; M80-I145 HydrophobicContact SD-CD1 3.64Å |
| 81 | C | 99 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 139.6 | -172 | -63.5 | 0 | 0 | 0 | 0 | 112.3 | V9 G10 V14 K16 V113 T115 | V9-C81 PolarHBondContact O-N 2.87Å; G10-C81 VanDerWaalsContact CA-O 3.29Å; G10-C81 WeakPolarHBondContact CA-O 3.49Å; V14-C81 HydrophobicContact CG2-CB 3.94Å; K16-C81 HydrophobicContact CG-CB 4.02Å; C81-V113 WeakPolarHBondContact CA-O 3.38Å; C81-T115 HydrophobicContact CB-CG2 4.13Å |
| 82 | F | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 164.7 | 162 | 71.2 | -83.9 | 0 | 0 | 0 | 109.2 | L84 S89 F90 V93 L112 V113 T115 V133 Y150 | F82-L84 HydrophobicContact CE2-CD2 3.86Å; F82-L84 HydrophobicContact CE2-CG 4.5Å; F82-L84 HydrophobicContact CZ-CD2 4.08Å; F82-S89 WeakPolarHBondContact CB-O 3.4Å; F82-F90 HydrophobicContact CD1-CD2 4.19Å; F82-F90 HydrophobicContact CD2-CB 3.71Å; F82-F90 AromaticContact CD2-CD2 3.74Å; F82-F90 HydrophobicContact CD2-CD2 3.74Å; F82-F90 HydrophobicContact CD2-CG 4.18Å; F82-F90 AromaticContact CE1-CD2 3.99Å; F82-F90 HydrophobicContact CE1-CD2 3.99Å; F82-F90 HydrophobicContact CE1-CE2 4.39Å; F82-F90 HydrophobicContact CE2-CB 4.15Å; F82-F90 AromaticContact CE2-CD2 3.52Å; F82-F90 HydrophobicContact CE2-CD2 3.52Å; F82-F90 HydrophobicContact CE2-CE2 4.3Å; F82-F90 HydrophobicContact CE2-CG 4.18Å; F82-F90 HydrophobicContact CG-CB 4.25Å; F82-F90 HydrophobicContact CG-CD2 4.07Å; F82-F90 AromaticContact CZ-CD2 3.65Å; F82-F90 HydrophobicContact CZ-CD2 3.65Å; F82-F90 HydrophobicContact CZ-CE2 4.06Å; F82-V93 HydrophobicContact CB-CG2 3.97Å; F82-V93 HydrophobicContact CD1-CG2 4.07Å; F82-V93 HydrophobicContact CG-CG2 4.28Å; F82-L112 HydrophobicContact CD1-CD1 3.8Å; F82-L112 HydrophobicContact CD1-CG 4.28Å; F82-L112 HydrophobicContact CE1-CD1 3.93Å; F82-L112 HydrophobicContact CE1-CD2 4.17Å; F82-L112 HydrophobicContact CE1-CG 3.9Å; F82-V113 WeakPolarHBondContact CD1-O 3.23Å; F82-V113 PolarHBondContact N-O 2.95Å; F82-T115 WeakPolarHBondContact O-CB 3.23Å; F82-T115 PolarHBondContact O-N 3.19Å; F82-T115 PolarHBondContact O-OG1 3.48Å; F82-V133 HydrophobicContact CE2-CB 4.01Å; F82-V133 HydrophobicContact CE2-CG1 3.87Å; F82-V133 HydrophobicContact CE2-CG2 4.11Å; F82-V133 HydrophobicContact CZ-CG1 4.23Å; F82-Y150 AromaticContact CE1-CE2 3.79Å; F82-Y150 HydrophobicContact CE1-CE2 3.79Å; F82-Y150 AromaticContact CZ-CE2 3.83Å; F82-Y150 HydrophobicContact CZ-CE2 3.83Å |
| 83 | S | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 2% | 0.021 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 128.9 | 175.9 | 160.8 | 0 | 0 | 0 | 0 | 110.1 | V85 S86 S89 T115 | S83-V85 PolarHBondContact O-N 3.43Å; S83-V85 WeakPolarHBondContact OG-CG2 3.23Å; S83-V85 PolarHBondContact OG-N 3.28Å; S83-S86 PolarHBondContact O-N 2.65Å; S83-S89 PolarHBondContact N-OG 3.42Å; S83-T115 WeakPolarHBondContact CA-OG1 3.45Å |
| 84 | L | 97.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -21.4 | 178.4 | -71.7 | 168.8 | 0 | 0 | 0 | 113.1 | F82 T115 R117 R120 P132 V133 E152 | F82-L84 HydrophobicContact CE2-CD2 3.86Å; F82-L84 HydrophobicContact CE2-CG 4.5Å; F82-L84 HydrophobicContact CZ-CD2 4.08Å; L84-T115 WeakPolarHBondContact CB-O 3.1Å; L84-T115 WeakPolarHBondContact CG-O 3.27Å; L84-T115 PolarHBondContact N-O 2.79Å; L84-R117 HydrophobicContact CD1-CB 3.97Å; L84-R117 HydrophobicContact CD1-CG 4.47Å; L84-R120 HydrophobicContact CB-CB 4.47Å; L84-P132 CarbonylContact O-C 3.42Å; L84-P132 VanDerWaalsContact O-CA 3.27Å; L84-P132 WeakPolarHBondContact O-CA 3.49Å; L84-P132 WeakPolarHBondContact O-CB 3.49Å; L84-V133 HydrophobicContact CD2-CB 4.22Å; L84-V133 PolarHBondContact O-N 2.77Å; L84-E152 HydrophobicContact CD1-CB 4.21Å; L84-E152 HydrophobicContact CD1-CG 4.08Å; L84-E152 HydrophobicContact CD2-CG 4.25Å |
| 85 | V | 94 | Very high | 97.8 | Very high | 32 Ų | 32 | 30.6 Ų | 30.6 | 19% | 0.194 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 18 | 176.1 | -61 | 0 | 0 | 0 | 0 | 113.6 | S83 K116 L119 P132 | S83-V85 PolarHBondContact O-N 3.43Å; S83-V85 WeakPolarHBondContact OG-CG2 3.23Å; S83-V85 PolarHBondContact OG-N 3.28Å; V85-K116 HydrophobicContact CG2-CD 4.4Å; V85-L119 HydrophobicContact CG1-CB 3.68Å; V85-L119 HydrophobicContact CG2-CB 4.12Å; V85-L119 HydrophobicContact CG2-CD1 3.87Å; V85-P132 HydrophobicContact CG1-CB 4.46Å; V85-P132 HydrophobicContact CG1-CG 4.39Å |
| 86 | S | 94.5 | Very high | 97.8 | Very high | 42 Ų | 42 | 31.7 Ų | 31.7 | 29% | 0.294 | 16% | 0.163 | S | C | . | . | trans | -134.4 | 99.7 | 173 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | S83 T88 S89 F90 | S83-S86 PolarHBondContact O-N 2.65Å; S86-T88 VanDerWaalsContact C-N 3.32Å; S86-T88 PolarHBondContact O-N 3.07Å; S86-S89 WeakPolarHBondContact CB-OG 3.37Å; S86-S89 PolarHBondContact O-N 2.84Å; S86-S89 PolarHBondContact O-OG 2.97Å; S86-S89 PolarHBondContact OG-N 3.05Å; S86-S89 PolarHBondContact OG-OG 2.89Å; S86-F90 PolarHBondContact O-N 2.9Å | ||
| 87 | R | 94.8 | Very high | 97.8 | Very high | 50 Ų | 50 | 28.8 Ų | 28.8 | 19% | 0.189 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 178.5 | -74.8 | -160.3 | 173 | -94.5 | -13.1 | 112.8 | S89 F90 E91 M130 L131 P132 V133 E137 | R87-S89 VanDerWaalsContact C-N 3.31Å; R87-S89 PolarHBondContact O-N 2.55Å; R87-F90 CarbonylContact O-C 3.52Å; R87-F90 WeakPolarHBondContact O-CA 3.11Å; R87-F90 WeakPolarHBondContact O-CB 3.49Å; R87-F90 PolarHBondContact O-N 3.42Å; R87-E91 WeakPolarHBondContact O-CG 3.35Å; R87-E91 PolarHBondContact O-N 3.27Å; R87-M130 HydrophobicContact CB-CE 4.19Å; R87-M130 HydrophobicContact CB-SD 4.03Å; R87-M130 HydrophobicContact CG-CB 4.24Å; R87-M130 HydrophobicContact CG-SD 4.26Å; R87-L131 VanDerWaalsContact CZ-O 3.29Å; R87-L131 PolarHBondContact NE-O 3.44Å; R87-L131 PolarHBondContact NH2-O 2.74Å; R87-P132 PolarHBondContact NH2-O 2.67Å; R87-P132 VanDerWaalsContact NH2-O 3.12Å; R87-V133 HydrophobicContact CG-CG2 4.47Å; R87-E137 IonicContact CZ-OE1 2.9Å; R87-E137 IonicContact NH1-OE1 3.05Å; R87-E137 PolarHBondContact NH1-OE1 3.39Å; R87-E137 IonicContact NH2-OE1 3.44Å; R87-E137 PolarHBondContact NH2-OE1 2.95Å; R87-E137 IonicContact NH2-OE2 2.8Å |
| 88 | T | 96.1 | Very high | 97.8 | Very high | 72 Ų | 72 | 31.5 Ų | 31.5 | 44% | 0.442 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56.9 | -45.5 | 175.1 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | S86 F90 E91 N92 | S86-T88 VanDerWaalsContact C-N 3.32Å; S86-T88 PolarHBondContact O-N 3.07Å; T88-F90 PolarHBondContact O-N 3.45Å; T88-E91 PolarHBondContact O-N 2.81Å; T88-N92 WeakPolarHBondContact O-CB 3.45Å; T88-N92 PolarHBondContact O-N 3.44Å |
| 89 | S | 98.2 | Very high | 97.8 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.4 | -29.9 | 177.7 | 73.5 | 0 | 0 | 0 | 0 | 113.3 | D11 F82 S83 S86 R87 | D11-S89 VanDerWaalsContact OD2-CA 3.27Å; D11-S89 WeakPolarHBondContact OD2-CA 3.19Å; F82-S89 WeakPolarHBondContact CB-O 3.4Å; S83-S89 PolarHBondContact N-OG 3.42Å; S86-S89 WeakPolarHBondContact CB-OG 3.37Å; S86-S89 PolarHBondContact O-N 2.84Å; S86-S89 PolarHBondContact O-OG 2.97Å; S86-S89 PolarHBondContact OG-N 3.05Å; S86-S89 PolarHBondContact OG-OG 2.89Å; R87-S89 VanDerWaalsContact C-N 3.31Å; R87-S89 PolarHBondContact O-N 2.55Å |
| 90 | F | 98.6 | Very high | 97.8 | Very high | 20 Ų | 20 | 35.6 Ų | 35.6 | 9% | 0.088 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -74.1 | -40.4 | 175.4 | 175.8 | -110.1 | 0 | 0 | 0 | 112.1 | F82 S86 R87 T88 N92 V93 V133 E137 M141 | F82-F90 HydrophobicContact CD1-CD2 4.19Å; F82-F90 HydrophobicContact CD2-CB 3.71Å; F82-F90 AromaticContact CD2-CD2 3.74Å; F82-F90 HydrophobicContact CD2-CD2 3.74Å; F82-F90 HydrophobicContact CD2-CG 4.18Å; F82-F90 AromaticContact CE1-CD2 3.99Å; F82-F90 HydrophobicContact CE1-CD2 3.99Å; F82-F90 HydrophobicContact CE1-CE2 4.39Å; F82-F90 HydrophobicContact CE2-CB 4.15Å; F82-F90 AromaticContact CE2-CD2 3.52Å; F82-F90 HydrophobicContact CE2-CD2 3.52Å; F82-F90 HydrophobicContact CE2-CE2 4.3Å; F82-F90 HydrophobicContact CE2-CG 4.18Å; F82-F90 HydrophobicContact CG-CB 4.25Å; F82-F90 HydrophobicContact CG-CD2 4.07Å; F82-F90 AromaticContact CZ-CD2 3.65Å; F82-F90 HydrophobicContact CZ-CD2 3.65Å; F82-F90 HydrophobicContact CZ-CE2 4.06Å; S86-F90 PolarHBondContact O-N 2.9Å; R87-F90 CarbonylContact O-C 3.52Å; R87-F90 WeakPolarHBondContact O-CA 3.11Å; R87-F90 WeakPolarHBondContact O-CB 3.49Å; R87-F90 PolarHBondContact O-N 3.42Å; T88-F90 PolarHBondContact O-N 3.45Å; F90-N92 VanDerWaalsContact C-N 3.32Å; F90-V93 VanDerWaalsContact O-CB 3.23Å; F90-V93 WeakPolarHBondContact O-CB 3.33Å; F90-V93 WeakPolarHBondContact O-CG2 3.39Å; F90-V93 PolarHBondContact O-N 3.01Å; F90-V133 HydrophobicContact CB-CG2 3.75Å; F90-V133 HydrophobicContact CD1-CG1 4.23Å; F90-V133 HydrophobicContact CD1-CG2 4.04Å; F90-V133 HydrophobicContact CD2-CG1 3.9Å; F90-V133 HydrophobicContact CD2-CG2 4.33Å; F90-V133 HydrophobicContact CE1-CG1 4.23Å; F90-V133 HydrophobicContact CE2-CG1 3.89Å; F90-V133 HydrophobicContact CG-CG1 4.06Å; F90-V133 HydrophobicContact CG-CG2 3.78Å; F90-V133 HydrophobicContact CZ-CG1 4.06Å; F90-E137 HydrophobicContact CE1-CB 4.26Å; F90-E137 HydrophobicContact CZ-CB 3.98Å; F90-M141 HydrophobicContact CD1-CE 4.43Å; F90-M141 HydrophobicContact CE1-CE 3.97Å; F90-M141 HydrophobicContact CE2-CB 3.52Å; F90-M141 HydrophobicContact CE2-CE 4.06Å; F90-M141 HydrophobicContact CE2-CG 3.81Å; F90-M141 HydrophobicContact CZ-CB 3.64Å; F90-M141 HydrophobicContact CZ-CE 3.78Å; F90-M141 HydrophobicContact CZ-CG 4.19Å |
| 91 | E | 98.3 | Very high | 97.8 | Very high | 105 Ų | 105 | 35.7 Ų | 35.7 | 49% | 0.491 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.4 | -38.4 | 175.2 | -70.5 | 167.4 | -171.8 | 0 | 0 | 111.4 | R87 T88 V93 R94 S95 | R87-E91 WeakPolarHBondContact O-CG 3.35Å; R87-E91 PolarHBondContact O-N 3.27Å; T88-E91 PolarHBondContact O-N 2.81Å; E91-V93 PolarHBondContact O-N 3.25Å; E91-R94 PolarHBondContact O-N 2.91Å; E91-R94 VanDerWaalsContact O-N 3.09Å; E91-S95 PolarHBondContact O-N 3.18Å; E91-S95 PolarHBondContact O-OG 3.41Å |
| 92 | N | 98.8 | Very high | 97.7 | Very high | 36 Ų | 36 | 37.4 Ų | 37.4 | 19% | 0.193 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.2 | -20.2 | 176.9 | -76 | -14.8 | 0 | 0 | 0 | 114.1 | D11 T88 F90 R94 S95 K96 W97 | D11-N92 PolarHBondContact OD1-ND2 2.77Å; D11-N92 PolarHBondContact OD2-ND2 3.12Å; T88-N92 WeakPolarHBondContact O-CB 3.45Å; T88-N92 PolarHBondContact O-N 3.44Å; F90-N92 VanDerWaalsContact C-N 3.32Å; N92-R94 VanDerWaalsContact C-N 3.26Å; N92-R94 PolarHBondContact O-N 3Å; N92-S95 WeakPolarHBondContact CA-OG 3.21Å; N92-S95 PolarHBondContact OD1-OG 2.98Å; N92-K96 HydrophobicContact CB-CB 4.48Å; N92-K96 WeakPolarHBondContact O-CA 3.26Å; N92-K96 WeakPolarHBondContact O-CB 3.35Å; N92-K96 PolarHBondContact O-N 2.8Å; N92-W97 VanDerWaalsContact O-CD1 3.26Å; N92-W97 PolarHBondContact O-N 2.73Å |
| 93 | V | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -52.8 | -48.4 | 169.7 | 168.2 | 0 | 0 | 0 | 0 | 110.3 | M80 F82 F90 E91 Y98 L112 M141 I145 | M80-V93 HydrophobicContact SD-CB 4.42Å; M80-V93 HydrophobicContact SD-CG1 3.66Å; F82-V93 HydrophobicContact CB-CG2 3.97Å; F82-V93 HydrophobicContact CD1-CG2 4.07Å; F82-V93 HydrophobicContact CG-CG2 4.28Å; F90-V93 VanDerWaalsContact O-CB 3.23Å; F90-V93 WeakPolarHBondContact O-CB 3.33Å; F90-V93 WeakPolarHBondContact O-CG2 3.39Å; F90-V93 PolarHBondContact O-N 3.01Å; E91-V93 PolarHBondContact O-N 3.25Å; V93-Y98 WeakPolarHBondContact O-CB 3.16Å; V93-Y98 PolarHBondContact O-N 3.3Å; V93-L112 HydrophobicContact CG1-CD1 3.75Å; V93-L112 HydrophobicContact CG2-CD1 3.93Å; V93-M141 HydrophobicContact CB-CG 4.21Å; V93-M141 HydrophobicContact CB-SD 4.16Å; V93-M141 HydrophobicContact CG1-CG 3.54Å; V93-M141 HydrophobicContact CG1-SD 3.7Å; V93-I145 HydrophobicContact CG1-CD1 3.84Å; V93-I145 HydrophobicContact CG1-CG2 4.13Å |
| 94 | R | 98.6 | Very high | 97.6 | Very high | 133 Ų | 133 | 45.8 Ų | 45.8 | 50% | 0.502 | 25% | 0.248 | S | C | . | . | I | π-helix | trans | -82.7 | -44.7 | -178.3 | 179.3 | -178.9 | 69.3 | 179.9 | -1 | 112.9 | E91 N92 P99 M141 E144 | E91-R94 PolarHBondContact O-N 2.91Å; E91-R94 VanDerWaalsContact O-N 3.09Å; N92-R94 VanDerWaalsContact C-N 3.26Å; N92-R94 PolarHBondContact O-N 3Å; R94-P99 WeakPolarHBondContact O-CD 3.29Å; R94-P99 VanDerWaalsContact O-CG 3.24Å; R94-P99 WeakPolarHBondContact O-CG 3.33Å; R94-M141 HydrophobicContact CB-CE 4.14Å; R94-M141 HydrophobicContact CB-SD 3.91Å; R94-E144 WeakPolarHBondContact CD-OE1 3.42Å; R94-E144 IonicContact CZ-OE1 3.05Å; R94-E144 IonicContact NE-OE1 2.84Å; R94-E144 IonicContact NH1-OE1 3Å; R94-E144 PolarHBondContact NH1-OE1 3.49Å |
| 95 | S | 98.4 | Very high | 97.6 | Very high | 78 Ų | 78 | 47 Ų | 47 | 55% | 0.545 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -78.3 | -25.5 | -172.1 | 54.2 | 0 | 0 | 0 | 0 | 113.2 | E91 N92 | E91-S95 PolarHBondContact O-N 3.18Å; E91-S95 PolarHBondContact O-OG 3.41Å; N92-S95 WeakPolarHBondContact CA-OG 3.21Å; N92-S95 PolarHBondContact OD1-OG 2.98Å |
| 96 | K | 98.5 | Very high | 97.7 | Very high | 32 Ų | 32 | 49.8 Ų | 49.8 | 14% | 0.139 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -124.6 | -64.6 | -174.6 | -179.8 | 176.4 | 179.7 | 164.1 | 0 | 113.4 | E62 D65 N92 P99 E100 | E62-K96 VanDerWaalsContact CG-NZ 3.28Å; D65-K96 WeakPolarHBondContact OD1-CE 3.44Å; D65-K96 IonicContact OD1-NZ 3.82Å; D65-K96 PolarHBondContact OD1-NZ 3.03Å; D65-K96 IonicContact OD2-NZ 2.66Å; D65-K96 PolarHBondContact OD2-NZ 3.49Å; N92-K96 HydrophobicContact CB-CB 4.48Å; N92-K96 WeakPolarHBondContact O-CA 3.26Å; N92-K96 WeakPolarHBondContact O-CB 3.35Å; N92-K96 PolarHBondContact O-N 2.8Å; K96-P99 WeakPolarHBondContact O-CD 3.27Å; K96-E100 WeakPolarHBondContact O-CB 3.36Å; K96-E100 PolarHBondContact O-N 3.38Å |
| 97 | W | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -69.6 | -43.8 | -164.1 | -64.5 | 108.9 | 0 | 0 | 0 | 113.6 | V9 G10 D11 R68 M80 N92 E100 I101 | V9-W97 HydrophobicContact CB-CE3 3.85Å; V9-W97 HydrophobicContact CB-CZ3 4.03Å; V9-W97 HydrophobicContact CG2-CE3 4.08Å; G10-W97 WeakPolarHBondContact O-CH2 3.25Å; G10-W97 WeakPolarHBondContact O-CZ2 3.43Å; D11-W97 PolarHBondContact OD1-NE1 3.42Å; R68-W97 VanDerWaalsContact CZ-CH2 3.41Å; M80-W97 HydrophobicContact CE-CB 4.18Å; M80-W97 HydrophobicContact CG-CB 4.03Å; M80-W97 HydrophobicContact SD-CB 3.91Å; N92-W97 VanDerWaalsContact O-CD1 3.26Å; N92-W97 PolarHBondContact O-N 2.73Å; W97-E100 PolarHBondContact O-N 3.02Å; W97-I101 PolarHBondContact O-N 3.2Å |
| 98 | Y | 98.7 | Very high | 97.7 | Very high | 57 Ų | 57 | 53.4 Ų | 53.4 | 22% | 0.224 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.4 | -47.5 | 176.6 | 171.7 | -107.7 | 0 | 0 | 0 | 112.8 | V93 E100 I101 S102 I110 I145 | V93-Y98 WeakPolarHBondContact O-CB 3.16Å; V93-Y98 PolarHBondContact O-N 3.3Å; Y98-E100 VanDerWaalsContact C-N 3.32Å; Y98-E100 PolarHBondContact O-N 3.19Å; Y98-I101 PolarHBondContact O-N 2.89Å; Y98-S102 WeakPolarHBondContact CD2-OG 3.4Å; Y98-S102 WeakPolarHBondContact CE2-OG 3.21Å; Y98-S102 VanDerWaalsContact O-CB 3.23Å; Y98-S102 WeakPolarHBondContact O-CB 3.45Å; Y98-S102 PolarHBondContact O-N 3.37Å; Y98-S102 PolarHBondContact O-OG 3.44Å; Y98-I110 HydrophobicContact CD2-CD1 3.96Å; Y98-I110 HydrophobicContact CE2-CD1 4.27Å; Y98-I145 HydrophobicContact CD1-CB 4.2Å; Y98-I145 HydrophobicContact CD1-CG2 4Å; Y98-I145 HydrophobicContact CD2-CB 3.63Å; Y98-I145 HydrophobicContact CD2-CG2 4.21Å; Y98-I145 HydrophobicContact CE2-CB 4.05Å; Y98-I145 WeakPolarHBondContact CE2-O 3.34Å; Y98-I145 HydrophobicContact CG-CB 3.69Å; Y98-I145 HydrophobicContact CG-CG2 3.72Å |
| 99 | P | 98.5 | Very high | 97.8 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 39% | 0.39 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.2 | -44.2 | 171.7 | -28.8 | 34.9 | 0 | 0 | 0 | 113.4 | R94 K96 S102 A103 | R94-P99 WeakPolarHBondContact O-CD 3.29Å; R94-P99 VanDerWaalsContact O-CG 3.24Å; R94-P99 WeakPolarHBondContact O-CG 3.33Å; K96-P99 WeakPolarHBondContact O-CD 3.27Å; P99-S102 PolarHBondContact O-N 2.96Å; P99-A103 WeakPolarHBondContact O-CB 3.03Å; P99-A103 PolarHBondContact O-N 3.5Å |
| 100 | E | 98.3 | Very high | 97.9 | Very high | 27 Ų | 27 | 51.9 Ų | 51.9 | 13% | 0.126 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.6 | -50 | -179.8 | -172.1 | -177.1 | 122.5 | 0 | 0 | 111.9 | R68 Y72 K96 W97 Y98 A103 H104 | R68-E100 WeakPolarHBondContact CD-OE1 3.25Å; R68-E100 IonicContact CZ-OE1 2.63Å; R68-E100 IonicContact NH1-OE1 3.81Å; R68-E100 PolarHBondContact NH1-OE1 3.35Å; R68-E100 IonicContact NH1-OE2 3.87Å; R68-E100 PolarHBondContact NH1-OE2 3.23Å; Y72-E100 HydrophobicContact CE2-CG 4.16Å; Y72-E100 WeakPolarHBondContact CE2-OE1 3.47Å; Y72-E100 PolarHBondContact OH-OE1 2.9Å; K96-E100 WeakPolarHBondContact O-CB 3.36Å; K96-E100 PolarHBondContact O-N 3.38Å; W97-E100 PolarHBondContact O-N 3.02Å; Y98-E100 VanDerWaalsContact C-N 3.32Å; Y98-E100 PolarHBondContact O-N 3.19Å; E100-A103 PolarHBondContact O-N 3.38Å; E100-H104 PolarHBondContact O-N 3.5Å; E100-H104 PolarHBondContact O-ND1 3.48Å |
| 101 | I | 98.1 | Very high | 97.9 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 177.1 | -72 | 168.4 | 0 | 0 | 0 | 110.6 | V9 F78 M80 W97 Y98 A103 H104 V105 I110 | V9-I101 HydrophobicContact CG2-CD1 3.39Å; V9-I101 HydrophobicContact CG2-CG1 4.3Å; F78-I101 HydrophobicContact CB-CD1 4.01Å; F78-I101 HydrophobicContact CD1-CD1 3.64Å; F78-I101 HydrophobicContact CD1-CG1 3.98Å; F78-I101 HydrophobicContact CD2-CD1 4.46Å; F78-I101 HydrophobicContact CD2-CG2 3.75Å; F78-I101 HydrophobicContact CE1-CD1 4.18Å; F78-I101 HydrophobicContact CE1-CG1 4Å; F78-I101 HydrophobicContact CE2-CG2 3.75Å; F78-I101 HydrophobicContact CG-CD1 3.78Å; F78-I101 HydrophobicContact CG-CG1 4.3Å; F78-I101 HydrophobicContact CG-CG2 4.16Å; F78-I101 HydrophobicContact CZ-CG1 4.35Å; F78-I101 HydrophobicContact CZ-CG2 4.15Å; M80-I101 HydrophobicContact CE-CD1 3.44Å; M80-I101 VanDerWaalsContact CE-CD1 3.44Å; M80-I101 HydrophobicContact CE-CG1 4.45Å; W97-I101 PolarHBondContact O-N 3.2Å; Y98-I101 PolarHBondContact O-N 2.89Å; I101-A103 PolarHBondContact O-N 2.82Å; I101-H104 PolarHBondContact O-N 2.88Å; I101-H104 VanDerWaalsContact O-N 3.09Å; I101-V105 CarbonylContact O-C 3.48Å; I101-V105 PolarHBondContact O-N 2.82Å; I101-I110 HydrophobicContact CG2-CD1 4.06Å; I101-I110 HydrophobicContact CG2-CG1 4.44Å |
| 102 | S | 97.1 | Very high | 97.9 | Very high | 37 Ų | 37 | 46 Ų | 46 | 26% | 0.259 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.2 | -32.5 | -178 | -60.5 | 0 | 0 | 0 | 0 | 112.5 | Y98 P99 P106 | Y98-S102 WeakPolarHBondContact CD2-OG 3.4Å; Y98-S102 WeakPolarHBondContact CE2-OG 3.21Å; Y98-S102 VanDerWaalsContact O-CB 3.23Å; Y98-S102 WeakPolarHBondContact O-CB 3.45Å; Y98-S102 PolarHBondContact O-N 3.37Å; Y98-S102 PolarHBondContact O-OG 3.44Å; P99-S102 PolarHBondContact O-N 2.96Å; S102-P106 WeakPolarHBondContact O-CB 3.36Å |
| 103 | A | 97.4 | Very high | 97.9 | Very high | 80 Ų | 80 | 44.2 Ų | 44.2 | 66% | 0.661 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -70.5 | -30.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P99 E100 I101 | P99-A103 WeakPolarHBondContact O-CB 3.03Å; P99-A103 PolarHBondContact O-N 3.5Å; E100-A103 PolarHBondContact O-N 3.38Å; I101-A103 PolarHBondContact O-N 2.82Å |
| 104 | H | 97.8 | Very high | 97.9 | Very high | 99 Ų | 99 | 44.2 Ų | 44.2 | 46% | 0.458 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -100.5 | -40.7 | -175.1 | -66.6 | 87.8 | 0 | 0 | 0 | 113.6 | P69 Y72 E100 I101 | P69-H104 WeakPolarHBondContact CB-NE2 3.16Å; Y72-H104 HydrophobicContact CD2-CB 3.74Å; Y72-H104 AromaticContact CD2-CG 3.84Å; E100-H104 PolarHBondContact O-N 3.5Å; E100-H104 PolarHBondContact O-ND1 3.48Å; I101-H104 PolarHBondContact O-N 2.88Å; I101-H104 VanDerWaalsContact O-N 3.09Å |
| 105 | V | 97.3 | Very high | 97.9 | Very high | 25 Ų | 25 | 38.1 Ų | 38.1 | 15% | 0.152 | 23% | 0.227 | C | C | . | . | trans | -140.7 | 68.4 | -173.1 | -163.4 | 0 | 0 | 0 | 0 | 110.3 | Y72 F78 I101 N107 A108 | Y72-V105 WeakPolarHBondContact O-CG2 2.89Å; F78-V105 HydrophobicContact CE2-CB 3.82Å; F78-V105 HydrophobicContact CE2-CG1 4.1Å; F78-V105 HydrophobicContact CE2-CG2 4.13Å; F78-V105 HydrophobicContact CZ-CB 4.19Å; F78-V105 HydrophobicContact CZ-CG2 4Å; I101-V105 CarbonylContact O-C 3.48Å; I101-V105 PolarHBondContact O-N 2.82Å; V105-N107 PolarHBondContact O-N 2.86Å; V105-N107 VanDerWaalsContact O-N 3.08Å; V105-A108 HydrophobicContact CB-CB 4.47Å; V105-A108 HydrophobicContact CG1-CB 3.6Å; V105-A108 PolarHBondContact O-N 2.89Å | ||
| 106 | P | 95.1 | Very high | 97.8 | Very high | 91 Ų | 91 | 37.4 Ų | 37.4 | 59% | 0.591 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | -18.6 | -171.5 | 23.7 | -34.7 | 0 | 0 | 0 | 115.1 | S102 | S102-P106 WeakPolarHBondContact O-CB 3.36Š|
| 107 | N | 93.8 | Very high | 97.7 | Very high | 155 Ų | 155 | 38 Ų | 38 | 83% | 0.829 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.2 | -9.5 | -172.3 | -62.5 | -37.4 | 0 | 0 | 0 | 114 | V105 | V105-N107 PolarHBondContact O-N 2.86Å; V105-N107 VanDerWaalsContact O-N 3.08Å |
| 108 | A | 96.9 | Very high | 97.5 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 11% | 0.107 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -75.9 | 133.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | F78 V105 | F78-A108 HydrophobicContact CD2-CB 3.81Å; F78-A108 HydrophobicContact CE2-CB 3.83Å; V105-A108 HydrophobicContact CB-CB 4.47Å; V105-A108 HydrophobicContact CG1-CB 3.6Å; V105-A108 PolarHBondContact O-N 2.89Å |
| 109 | P | 98.3 | Very high | 97.2 | Very high | 29 Ų | 29 | 39.9 Ų | 39.9 | 19% | 0.188 | 23% | 0.229 | C | C | . | . | trans | -59.4 | 143.1 | 173.2 | 24.2 | -34.7 | 0 | 0 | 0 | 111.4 | D76 V77 F78 V148 A171 V172 | D76-P109 WeakPolarHBondContact O-CD 3.19Å; D76-P109 WeakPolarHBondContact O-CG 3.09Å; V77-P109 HydrophobicContact CB-CG 4.16Å; V77-P109 HydrophobicContact CG2-CG 4.13Å; V77-P109 WeakPolarHBondContact CG2-O 3.4Å; F78-P109 PolarHBondContact N-O 3.24Å; P109-V148 HydrophobicContact CB-CG1 4.07Å; P109-V148 HydrophobicContact CB-CG2 4.14Å; P109-A171 HydrophobicContact CB-CB 3.92Å; P109-A171 HydrophobicContact CG-CB 4.05Å; P109-V172 HydrophobicContact CG-CG2 4.45Å | ||
| 110 | I | 98.8 | Very high | 96.8 | Very high | 11 Ų | 11 | 39 Ų | 39 | 6% | 0.056 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128 | 177 | -59.8 | 170.2 | 0 | 0 | 0 | 108.4 | F78 M80 Y98 I101 I145 A147 V148 | F78-I110 HydrophobicContact CB-CG1 4.32Å; M80-I110 HydrophobicContact CB-CG2 3.82Å; M80-I110 HydrophobicContact CE-CD1 4.03Å; M80-I110 HydrophobicContact CE-CG2 3.97Å; M80-I110 HydrophobicContact SD-CG2 4.5Å; Y98-I110 HydrophobicContact CD2-CD1 3.96Å; Y98-I110 HydrophobicContact CE2-CD1 4.27Å; I101-I110 HydrophobicContact CG2-CD1 4.06Å; I101-I110 HydrophobicContact CG2-CG1 4.44Å; I110-I145 HydrophobicContact CG2-CD1 4.22Å; I110-A147 HydrophobicContact CB-CB 4.38Å; I110-A147 HydrophobicContact CG2-CB 4.24Å; I110-A147 CarbonylContact O-C 3.6Å; I110-A147 VanDerWaalsContact O-CA 3.27Å; I110-A147 WeakPolarHBondContact O-CA 3.47Å; I110-A147 WeakPolarHBondContact O-CB 3.27Å; I110-V148 PolarHBondContact O-N 2.84Å |
| 111 | I | 98.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.8 | 163 | -47.6 | -58.6 | 0 | 0 | 0 | 107.6 | V77 F78 L79 M80 V113 V148 K149 L151 A168 A171 | V77-I111 HydrophobicContact CG2-CG1 4.19Å; F78-I111 PolarHBondContact O-N 2.6Å; L79-I111 HydrophobicContact CD2-CB 3.69Å; L79-I111 HydrophobicContact CD2-CG1 3.96Å; L79-I111 HydrophobicContact CD2-CG2 4.24Å; M80-I111 PolarHBondContact N-O 3.15Å; I111-V113 HydrophobicContact CB-CG2 4.46Å; I111-V113 HydrophobicContact CG2-CG2 3.96Å; I111-V148 HydrophobicContact CD1-CG2 3.42Å; I111-V148 VanDerWaalsContact CD1-CG2 3.42Å; I111-K149 HydrophobicContact CD1-CB 4.22Å; I111-L151 HydrophobicContact CG2-CD1 4.09Å; I111-A168 HydrophobicContact CG1-CB 4.11Å; I111-A171 HydrophobicContact CD1-CB 4.22Å |
| 112 | L | 98.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 126.3 | 171.3 | -177.9 | 65.5 | 0 | 0 | 0 | 109 | M80 F82 V93 M141 A142 I145 A147 K149 Y150 L151 | M80-L112 HydrophobicContact CG-CD1 4.5Å; F82-L112 HydrophobicContact CD1-CD1 3.8Å; F82-L112 HydrophobicContact CD1-CG 4.28Å; F82-L112 HydrophobicContact CE1-CD1 3.93Å; F82-L112 HydrophobicContact CE1-CD2 4.17Å; F82-L112 HydrophobicContact CE1-CG 3.9Å; V93-L112 HydrophobicContact CG1-CD1 3.75Å; V93-L112 HydrophobicContact CG2-CD1 3.93Å; L112-M141 HydrophobicContact CD2-CB 3.86Å; L112-M141 HydrophobicContact CD2-CG 3.72Å; L112-A142 HydrophobicContact CB-CB 4.26Å; L112-A142 HydrophobicContact CD2-CB 3.91Å; L112-I145 HydrophobicContact CB-CD1 4.47Å; L112-I145 HydrophobicContact CD1-CD1 4.25Å; L112-A147 HydrophobicContact CB-CB 4.07Å; L112-K149 PolarHBondContact N-O 2.94Å; L112-Y150 HydrophobicContact CB-CD2 4.11Å; L112-Y150 HydrophobicContact CD2-CD2 3.85Å; L112-Y150 HydrophobicContact CD2-CE2 4.32Å; L112-Y150 HydrophobicContact CG-CD2 3.85Å; L112-Y150 HydrophobicContact CG-CE2 4.32Å; L112-Y150 WeakPolarHBondContact O-CA 3.31Å; L112-Y150 WeakPolarHBondContact O-CD2 3.06Å; L112-L151 PolarHBondContact O-N 3.27Å |
| 113 | V | 99 | Very high | 93 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 112.8 | -173.8 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | L79 M80 C81 F82 I111 T115 L151 V164 | L79-V113 HydrophobicContact CB-CG2 4.37Å; L79-V113 HydrophobicContact CD2-CG2 4.08Å; M80-V113 PolarHBondContact O-N 2.93Å; C81-V113 WeakPolarHBondContact CA-O 3.38Å; F82-V113 WeakPolarHBondContact CD1-O 3.23Å; F82-V113 PolarHBondContact N-O 2.95Å; I111-V113 HydrophobicContact CB-CG2 4.46Å; I111-V113 HydrophobicContact CG2-CG2 3.96Å; V113-T115 HydrophobicContact CG1-CG2 4.01Å; V113-T115 PolarHBondContact O-N 3.01Å; V113-L151 CarbonylContact C-O 3.49Å; V113-L151 WeakPolarHBondContact CA-O 3.34Å; V113-V164 HydrophobicContact CG1-CG1 4.34Å; V113-V164 HydrophobicContact CG1-CG2 3.97Å; V113-V164 HydrophobicContact CG2-CG1 3.84Å; V113-V164 HydrophobicContact CG2-CG2 4.43Å |
| 114 | G | 98.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 102.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | L151 E152 C153 | G114-L151 PolarHBondContact N-O 3.42Å; G114-E152 CarbonylContact O-C 3.6Å; G114-E152 VanDerWaalsContact O-CA 3.23Å; G114-E152 WeakPolarHBondContact O-CA 3.22Å; G114-C153 PolarHBondContact O-N 2.92Å |
| 115 | T | 98.6 | Very high | 89.4 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 169.5 | -177.9 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | V14 C81 F82 S83 L84 V113 R117 C153 | V14-T115 PolarHBondContact O-OG1 2.9Å; C81-T115 HydrophobicContact CB-CG2 4.13Å; F82-T115 WeakPolarHBondContact O-CB 3.23Å; F82-T115 PolarHBondContact O-N 3.19Å; F82-T115 PolarHBondContact O-OG1 3.48Å; S83-T115 WeakPolarHBondContact CA-OG1 3.45Å; L84-T115 WeakPolarHBondContact CB-O 3.1Å; L84-T115 WeakPolarHBondContact CG-O 3.27Å; L84-T115 PolarHBondContact N-O 2.79Å; V113-T115 HydrophobicContact CG1-CG2 4.01Å; V113-T115 PolarHBondContact O-N 3.01Å; T115-R117 PolarHBondContact O-N 2.72Å; T115-C153 CarbonylContact C-O 3.51Å |
| 116 | K | 96.2 | Very high | 87.5 | Confident | 64 Ų | 64 | 50.2 Ų | 50.2 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | trans | 59.7 | 40.7 | -179.8 | -48.7 | -168.7 | -169.1 | -177.6 | 0 | 113.4 | A13 V14 V85 D118 L119 C153 | A13-K116 VanDerWaalsContact O-CE 3.25Å; A13-K116 WeakPolarHBondContact O-CE 3.23Å; A13-K116 PolarHBondContact O-NZ 2.7Å; V14-K116 WeakPolarHBondContact O-CE 3.47Å; V85-K116 HydrophobicContact CG2-CD 4.4Å; K116-D118 WeakPolarHBondContact CA-OD1 3.4Å; K116-D118 PolarHBondContact O-N 2.94Å; K116-L119 HydrophobicContact CB-CB 4.45Å; K116-L119 HydrophobicContact CB-CD1 4.03Å; K116-L119 HydrophobicContact CB-CG 4.2Å; K116-L119 HydrophobicContact CD-CD1 3.84Å; K116-L119 HydrophobicContact CG-CD1 4.5Å; K116-L119 PolarHBondContact O-N 3.12Å; K116-C153 PolarHBondContact N-O 3Å; K116-C153 VanDerWaalsContact N-O 3.16Å | ||
| 117 | R | 96.4 | Very high | 85.8 | Confident | 44 Ų | 44 | 55.6 Ų | 55.6 | 17% | 0.166 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54.1 | -35.9 | 178.9 | 180 | 66.8 | -172.7 | 104.3 | 1 | 113.3 | L84 T115 L119 R120 D121 E152 C153 F159 | L84-R117 HydrophobicContact CD1-CB 3.97Å; L84-R117 HydrophobicContact CD1-CG 4.47Å; T115-R117 PolarHBondContact O-N 2.72Å; R117-L119 PolarHBondContact O-N 2.88Å; R117-R120 VanDerWaalsContact CZ-CZ 3.49Å; R117-R120 VanDerWaalsContact NE-NH2 3.11Å; R117-R120 VanDerWaalsContact NH2-NH2 3.15Å; R117-R120 PolarHBondContact O-N 2.88Å; R117-D121 IonicContact CZ-OD1 2.71Å; R117-D121 IonicContact CZ-OD2 2.92Å; R117-D121 IonicContact NE-OD2 3.24Å; R117-D121 IonicContact NH1-OD1 3.6Å; R117-D121 PolarHBondContact NH1-OD1 3.18Å; R117-D121 IonicContact NH1-OD2 3.12Å; R117-D121 PolarHBondContact NH1-OD2 3.1Å; R117-D121 IonicContact NH2-OD1 3.61Å; R117-D121 PolarHBondContact NH2-OD1 3.11Å; R117-D121 VanDerWaalsContact NH2-OD1 3.12Å; R117-D121 IonicContact NH2-OD2 3.35Å; R117-D121 PolarHBondContact NH2-OD2 3.17Å; R117-E152 VanDerWaalsContact CD-OE2 3.27Å; R117-E152 WeakPolarHBondContact CD-OE2 3.45Å; R117-E152 IonicContact NE-OE2 3.98Å; R117-E152 PolarHBondContact NE-OE2 2.94Å; R117-C153 WeakPolarHBondContact CB-O 3.36Å; R117-C153 PolarHBondContact N-O 3.43Å; R117-F159 HydrophobicContact CB-CD1 4.37Å; R117-F159 HydrophobicContact CG-CD1 3.9Å; R117-F159 HydrophobicContact CG-CE1 4.05Å |
| 118 | D | 94.1 | Very high | 84.3 | Confident | 40 Ų | 40 | 50.4 Ų | 50.4 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.8 | -31.6 | 176 | 56 | -72 | 0 | 0 | 0 | 113.2 | K116 S154 T157 | K116-D118 WeakPolarHBondContact CA-OD1 3.4Å; K116-D118 PolarHBondContact O-N 2.94Å; D118-S154 VanDerWaalsContact OD1-CB 3.22Å; D118-S154 WeakPolarHBondContact OD1-CB 3.47Å; D118-S154 PolarHBondContact OD1-OG 3.32Å; D118-T157 HydrophobicContact CB-CG2 4.02Å |
| 119 | L | 93.4 | Very high | 82.8 | Confident | 56 Ų | 56 | 57 Ų | 57 | 29% | 0.293 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -80.7 | -25.7 | 179.7 | -59.7 | -174.8 | 0 | 0 | 0 | 113 | V85 K116 R117 D121 S122 G125 | V85-L119 HydrophobicContact CG1-CB 3.68Å; V85-L119 HydrophobicContact CG2-CB 4.12Å; V85-L119 HydrophobicContact CG2-CD1 3.87Å; K116-L119 HydrophobicContact CB-CB 4.45Å; K116-L119 HydrophobicContact CB-CD1 4.03Å; K116-L119 HydrophobicContact CB-CG 4.2Å; K116-L119 HydrophobicContact CD-CD1 3.84Å; K116-L119 HydrophobicContact CG-CD1 4.5Å; K116-L119 PolarHBondContact O-N 3.12Å; R117-L119 PolarHBondContact O-N 2.88Å; L119-D121 VanDerWaalsContact C-N 3.33Å; L119-D121 PolarHBondContact O-N 3.37Å; L119-S122 PolarHBondContact O-N 3.17Å; L119-G125 WeakPolarHBondContact O-CA 3.06Å |
| 120 | R | 90.5 | Very high | 81.6 | Confident | 43 Ų | 43 | 59.8 Ų | 59.8 | 16% | 0.162 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -67.5 | -34.7 | 178.5 | 176.9 | 169.9 | 88 | -160.2 | -4.8 | 112.2 | L84 R117 P132 V133 E152 | L84-R120 HydrophobicContact CB-CB 4.47Å; R117-R120 VanDerWaalsContact CZ-CZ 3.49Å; R117-R120 VanDerWaalsContact NE-NH2 3.11Å; R117-R120 VanDerWaalsContact NH2-NH2 3.15Å; R117-R120 PolarHBondContact O-N 2.88Å; R120-P132 HydrophobicContact CB-CB 4.18Å; R120-P132 HydrophobicContact CG-CB 3.62Å; R120-P132 HydrophobicContact CG-CG 4.13Å; R120-V133 VanDerWaalsContact CD-O 3.27Å; R120-V133 WeakPolarHBondContact CD-O 3.43Å; R120-V133 PolarHBondContact NH1-O 3.27Å; R120-E152 IonicContact CZ-OE1 3.8Å; R120-E152 IonicContact CZ-OE2 3.59Å; R120-E152 VanDerWaalsContact CZ-OE2 3.26Å; R120-E152 VanDerWaalsContact NH1-CD 3.3Å; R120-E152 IonicContact NH1-OE1 3.03Å; R120-E152 PolarHBondContact NH1-OE1 2.74Å; R120-E152 IonicContact NH1-OE2 2.75Å; R120-E152 PolarHBondContact NH1-OE2 2.91Å; R120-E152 IonicContact NH2-OE1 3.86Å; R120-E152 IonicContact NH2-OE2 3.56Å; R120-E152 PolarHBondContact NH2-OE2 3.06Å |
| 121 | D | 76 | Confident | 81 | Confident | 110 Ų | 110 | 65 Ų | 65 | 59% | 0.588 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -91.6 | -3 | -179.8 | -58.9 | -26.7 | 0 | 0 | 0 | 112.5 | R117 L119 | R117-D121 IonicContact CZ-OD1 2.71Å; R117-D121 IonicContact CZ-OD2 2.92Å; R117-D121 IonicContact NE-OD2 3.24Å; R117-D121 IonicContact NH1-OD1 3.6Å; R117-D121 PolarHBondContact NH1-OD1 3.18Å; R117-D121 IonicContact NH1-OD2 3.12Å; R117-D121 PolarHBondContact NH1-OD2 3.1Å; R117-D121 IonicContact NH2-OD1 3.61Å; R117-D121 PolarHBondContact NH2-OD1 3.11Å; R117-D121 VanDerWaalsContact NH2-OD1 3.12Å; R117-D121 IonicContact NH2-OD2 3.35Å; R117-D121 PolarHBondContact NH2-OD2 3.17Å; L119-D121 VanDerWaalsContact C-N 3.33Å; L119-D121 PolarHBondContact O-N 3.37Å |
| 122 | S | 75.7 | Confident | 80.7 | Confident | 38 Ų | 38 | 65.8 Ų | 65.8 | 27% | 0.266 | 35% | 0.353 | S | S | . | . | trans | -82.9 | 132.3 | -178.3 | -179.9 | 0 | 0 | 0 | 0 | 111.6 | L119 N124 G125 | L119-S122 PolarHBondContact O-N 3.17Å; S122-N124 PolarHBondContact O-N 3.44Å; S122-N124 VanDerWaalsContact O-N 3.13Å; S122-N124 PolarHBondContact OG-N 3.46Å; S122-G125 PolarHBondContact O-N 2.86Å | ||
| 123 | P | 61.8 | Low | 80.6 | Confident | 121 Ų | 121 | 65.8 Ų | 65.8 | 79% | 0.786 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -32.8 | 173.7 | -22.2 | 30.8 | 0 | 0 | 0 | 112.9 | ||
| 124 | N | 61.5 | Low | 80.5 | Confident | 133 Ų | 133 | 69 Ų | 69 | 71% | 0.711 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -5.4 | -177 | -65 | -22.6 | 0 | 0 | 0 | 113.2 | S122 L126 | S122-N124 PolarHBondContact O-N 3.44Å; S122-N124 VanDerWaalsContact O-N 3.13Å; S122-N124 PolarHBondContact OG-N 3.46Å; N124-L126 PolarHBondContact O-N 2.94Å |
| 125 | G | 57 | Low | 80.4 | Confident | 17 Ų | 17 | 75.1 Ų | 75.1 | 18% | 0.175 | 40% | 0.397 | C | S | . | . | trans | -68.1 | -21.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L119 S122 K127 | L119-G125 WeakPolarHBondContact O-CA 3.06Å; S122-G125 PolarHBondContact O-N 2.86Å; G125-K127 PolarHBondContact O-N 3.05Å; G125-K127 VanDerWaalsContact O-N 3.07Å | ||
| 126 | L | 58.1 | Low | 80.4 | Confident | 85 Ų | 85 | 78.5 Ų | 78.5 | 45% | 0.445 | 42% | 0.421 | S | S | . | . | trans | -84.1 | 52.8 | 176.4 | -73.3 | 93.7 | 0 | 0 | 0 | 112.4 | N124 S128 L131 P132 | N124-L126 PolarHBondContact O-N 2.94Å; L126-S128 PolarHBondContact O-N 3.16Å; L126-L131 HydrophobicContact CD2-CD2 4.23Å; L126-P132 HydrophobicContact CD1-CG 4.43Å; L126-P132 HydrophobicContact CG-CG 4.36Å | ||
| 127 | K | 58.9 | Low | 80.5 | Confident | 204 Ų | 204 | 77 Ų | 77 | 89% | 0.887 | 41% | 0.414 | S | S | * | . | trans | -66.4 | -21.1 | 162 | -69.9 | -170 | 179.3 | -177 | 0 | 111.7 | G125 | G125-K127 PolarHBondContact O-N 3.05Å; G125-K127 VanDerWaalsContact O-N 3.07Å | ||
| 128 | S | 63.2 | Low | 80.6 | Confident | 46 Ų | 46 | 74.9 Ų | 74.9 | 32% | 0.322 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -82.9 | 136.3 | 171.7 | 162.2 | 0 | 0 | 0 | 0 | 110.5 | L126 M130 | L126-S128 PolarHBondContact O-N 3.16Å; S128-M130 PolarHBondContact O-N 2.93Å; S128-M130 PolarHBondContact OG-N 2.84Å; S128-M130 PolarHBondContact OG-O 2.98Å |
| 129 | T | 65.1 | Low | 80.8 | Confident | 151 Ų | 151 | 74.7 Ų | 74.7 | 93% | 0.926 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -64 | -22.4 | 171.2 | 52.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 130 | M | 73.8 | Confident | 81.1 | Confident | 88 Ų | 88 | 79.6 Ų | 79.6 | 43% | 0.433 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -85.3 | 135.9 | 177.1 | -68.8 | -163.5 | -89.7 | 0 | 0 | 111.8 | R87 S128 | R87-M130 HydrophobicContact CB-CE 4.19Å; R87-M130 HydrophobicContact CB-SD 4.03Å; R87-M130 HydrophobicContact CG-CB 4.24Å; R87-M130 HydrophobicContact CG-SD 4.26Å; S128-M130 PolarHBondContact O-N 2.93Å; S128-M130 PolarHBondContact OG-N 2.84Å; S128-M130 PolarHBondContact OG-O 2.98Å |
| 131 | L | 86.3 | Confident | 81.5 | Confident | 120 Ų | 120 | 78.1 Ų | 78.1 | 63% | 0.628 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -58.6 | 141.7 | 174.6 | -68.9 | 174.4 | 0 | 0 | 0 | 111 | R87 L126 | R87-L131 VanDerWaalsContact CZ-O 3.29Å; R87-L131 PolarHBondContact NE-O 3.44Å; R87-L131 PolarHBondContact NH2-O 2.74Å; L126-L131 HydrophobicContact CD2-CD2 4.23Å |
| 132 | P | 92.5 | Very high | 82.6 | Confident | 18 Ų | 18 | 73.2 Ų | 73.2 | 12% | 0.117 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 157.6 | 171.3 | -26.2 | 34.9 | 0 | 0 | 0 | 113 | L84 V85 R87 R120 L126 T134 | L84-P132 CarbonylContact O-C 3.42Å; L84-P132 VanDerWaalsContact O-CA 3.27Å; L84-P132 WeakPolarHBondContact O-CA 3.49Å; L84-P132 WeakPolarHBondContact O-CB 3.49Å; V85-P132 HydrophobicContact CG1-CB 4.46Å; V85-P132 HydrophobicContact CG1-CG 4.39Å; R87-P132 PolarHBondContact NH2-O 2.67Å; R87-P132 VanDerWaalsContact NH2-O 3.12Å; R120-P132 HydrophobicContact CB-CB 4.18Å; R120-P132 HydrophobicContact CG-CB 3.62Å; R120-P132 HydrophobicContact CG-CG 4.13Å; L126-P132 HydrophobicContact CD1-CG 4.43Å; L126-P132 HydrophobicContact CG-CG 4.36Å; P132-T134 PolarHBondContact O-N 2.82Å |
| 133 | V | 95.7 | Very high | 83.7 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 125.8 | 173.4 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | F82 L84 R87 F90 R120 E137 | F82-V133 HydrophobicContact CE2-CB 4.01Å; F82-V133 HydrophobicContact CE2-CG1 3.87Å; F82-V133 HydrophobicContact CE2-CG2 4.11Å; F82-V133 HydrophobicContact CZ-CG1 4.23Å; L84-V133 HydrophobicContact CD2-CB 4.22Å; L84-V133 PolarHBondContact O-N 2.77Å; R87-V133 HydrophobicContact CG-CG2 4.47Å; F90-V133 HydrophobicContact CB-CG2 3.75Å; F90-V133 HydrophobicContact CD1-CG1 4.23Å; F90-V133 HydrophobicContact CD1-CG2 4.04Å; F90-V133 HydrophobicContact CD2-CG1 3.9Å; F90-V133 HydrophobicContact CD2-CG2 4.33Å; F90-V133 HydrophobicContact CE1-CG1 4.23Å; F90-V133 HydrophobicContact CE2-CG1 3.89Å; F90-V133 HydrophobicContact CG-CG1 4.06Å; F90-V133 HydrophobicContact CG-CG2 3.78Å; F90-V133 HydrophobicContact CZ-CG1 4.06Å; R120-V133 VanDerWaalsContact CD-O 3.27Å; R120-V133 WeakPolarHBondContact CD-O 3.43Å; R120-V133 PolarHBondContact NH1-O 3.27Å; V133-E137 HydrophobicContact CG1-CB 3.82Å |
| 134 | T | 96.1 | Very high | 85.4 | Confident | 67 Ų | 67 | 78.8 Ų | 78.8 | 41% | 0.411 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -78.9 | 157.4 | 177.5 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | P132 S136 E137 G138 | P132-T134 PolarHBondContact O-N 2.82Å; T134-S136 PolarHBondContact O-N 3.25Å; T134-E137 WeakPolarHBondContact CB-OE2 3.45Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.35Å; T134-E137 PolarHBondContact N-OE2 3.45Å; T134-E137 PolarHBondContact O-N 3.3Å; T134-E137 VanDerWaalsContact O-N 3.11Å; T134-E137 VanDerWaalsContact OG1-CG 3.31Å; T134-E137 WeakPolarHBondContact OG1-CG 3.45Å; T134-E137 PolarHBondContact OG1-N 3.13Å; T134-E137 PolarHBondContact OG1-OE2 2.94Å; T134-G138 PolarHBondContact O-N 3.04Å; T134-G138 VanDerWaalsContact O-N 3.12Å |
| 135 | Y | 97.7 | Very high | 87.2 | Confident | 129 Ų | 129 | 72.5 Ų | 72.5 | 51% | 0.506 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -56.6 | -39.9 | 175.3 | -173.1 | -94 | 0 | 0 | 0 | 112.1 | E137 G138 C139 Y150 E152 | Y135-E137 PolarHBondContact O-N 3Å; Y135-G138 PolarHBondContact O-N 2.93Å; Y135-C139 WeakPolarHBondContact CE1-SG 3.23Å; Y135-C139 PolarHBondContact O-N 3.45Å; Y135-C139 PolarHBondContact O-SG 3.22Å; Y135-Y150 HydrophobicContact CD2-CD1 4.27Å; Y135-Y150 AromaticContact CD2-CE1 3.71Å; Y135-Y150 HydrophobicContact CD2-CE1 3.71Å; Y135-Y150 AromaticContact CE2-CD1 3.97Å; Y135-Y150 HydrophobicContact CE2-CD1 3.97Å; Y135-Y150 AromaticContact CE2-CE1 3.86Å; Y135-Y150 HydrophobicContact CE2-CE1 3.86Å; Y135-Y150 HydrophobicContact CG-CE1 4.25Å; Y135-E152 WeakPolarHBondContact CA-OE1 3.5Å; Y135-E152 HydrophobicContact CD2-CG 4.28Å; Y135-E152 WeakPolarHBondContact CD2-OE1 3.48Å |
| 136 | S | 98.4 | Very high | 89.1 | Confident | 74 Ų | 74 | 79.5 Ų | 79.5 | 52% | 0.517 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 177.9 | -174.5 | 0 | 0 | 0 | 0 | 113 | T134 R140 | T134-S136 PolarHBondContact O-N 3.25Å; S136-R140 WeakPolarHBondContact O-CG 3.4Å; S136-R140 PolarHBondContact O-N 3.21Å; S136-R140 VanDerWaalsContact O-N 3.16Å |
| 137 | E | 98.6 | Very high | 91 | Very high | 32 Ų | 32 | 76.2 Ų | 76.2 | 15% | 0.15 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 173.2 | -76.9 | 165.7 | 118.7 | 0 | 0 | 110.7 | R87 F90 V133 T134 Y135 C139 R140 M141 | R87-E137 IonicContact CZ-OE1 2.9Å; R87-E137 IonicContact NH1-OE1 3.05Å; R87-E137 PolarHBondContact NH1-OE1 3.39Å; R87-E137 IonicContact NH2-OE1 3.44Å; R87-E137 PolarHBondContact NH2-OE1 2.95Å; R87-E137 IonicContact NH2-OE2 2.8Å; F90-E137 HydrophobicContact CE1-CB 4.26Å; F90-E137 HydrophobicContact CZ-CB 3.98Å; V133-E137 HydrophobicContact CG1-CB 3.82Å; T134-E137 WeakPolarHBondContact CB-OE2 3.45Å; T134-E137 WeakPolarHBondContact CG2-OE2 3.35Å; T134-E137 PolarHBondContact N-OE2 3.45Å; T134-E137 PolarHBondContact O-N 3.3Å; T134-E137 VanDerWaalsContact O-N 3.11Å; T134-E137 VanDerWaalsContact OG1-CG 3.31Å; T134-E137 WeakPolarHBondContact OG1-CG 3.45Å; T134-E137 PolarHBondContact OG1-N 3.13Å; T134-E137 PolarHBondContact OG1-OE2 2.94Å; Y135-E137 PolarHBondContact O-N 3Å; E137-C139 PolarHBondContact O-N 2.95Å; E137-R140 PolarHBondContact O-N 3.22Å; E137-R140 VanDerWaalsContact O-N 3.11Å; E137-M141 PolarHBondContact O-N 3.24Å |
| 138 | G | 98.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | T134 Y135 R140 M141 A142 | T134-G138 PolarHBondContact O-N 3.04Å; T134-G138 VanDerWaalsContact O-N 3.12Å; Y135-G138 PolarHBondContact O-N 2.93Å; G138-R140 VanDerWaalsContact C-N 3.33Å; G138-R140 PolarHBondContact O-N 2.81Å; G138-M141 PolarHBondContact O-N 3.34Å; G138-A142 PolarHBondContact O-N 3.37Å |
| 139 | C | 98.8 | Very high | 94.5 | Very high | 37 Ų | 37 | 71.3 Ų | 71.3 | 25% | 0.25 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 173.7 | -71.5 | 0 | 0 | 0 | 0 | 113.3 | Y135 E137 K143 | Y135-C139 WeakPolarHBondContact CE1-SG 3.23Å; Y135-C139 PolarHBondContact O-N 3.45Å; Y135-C139 PolarHBondContact O-SG 3.22Å; E137-C139 PolarHBondContact O-N 2.95Å; C139-K143 WeakPolarHBondContact O-CG 3.42Å; C139-K143 PolarHBondContact O-N 3.38Å |
| 140 | R | 98.9 | Very high | 96.1 | Very high | 159 Ų | 159 | 64.9 Ų | 64.9 | 60% | 0.6 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -66.8 | -46.1 | 176.8 | -74.7 | -172.7 | -62 | -171.1 | 2.2 | 110.9 | S136 E137 G138 A142 K143 E144 | S136-R140 WeakPolarHBondContact O-CG 3.4Å; S136-R140 PolarHBondContact O-N 3.21Å; S136-R140 VanDerWaalsContact O-N 3.16Å; E137-R140 PolarHBondContact O-N 3.22Å; E137-R140 VanDerWaalsContact O-N 3.11Å; G138-R140 VanDerWaalsContact C-N 3.33Å; G138-R140 PolarHBondContact O-N 2.81Å; R140-A142 PolarHBondContact O-N 3.21Å; R140-K143 PolarHBondContact O-N 2.57Å; R140-E144 PolarHBondContact O-N 3.36Å |
| 141 | M | 98.8 | Very high | 97.3 | Very high | 12 Ų | 12 | 62.4 Ų | 62.4 | 6% | 0.059 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 176.9 | -177 | 62.4 | 71.3 | 0 | 0 | 111.4 | F90 V93 R94 L112 E137 G138 K143 E144 I145 | F90-M141 HydrophobicContact CD1-CE 4.43Å; F90-M141 HydrophobicContact CE1-CE 3.97Å; F90-M141 HydrophobicContact CE2-CB 3.52Å; F90-M141 HydrophobicContact CE2-CE 4.06Å; F90-M141 HydrophobicContact CE2-CG 3.81Å; F90-M141 HydrophobicContact CZ-CB 3.64Å; F90-M141 HydrophobicContact CZ-CE 3.78Å; F90-M141 HydrophobicContact CZ-CG 4.19Å; V93-M141 HydrophobicContact CB-CG 4.21Å; V93-M141 HydrophobicContact CB-SD 4.16Å; V93-M141 HydrophobicContact CG1-CG 3.54Å; V93-M141 HydrophobicContact CG1-SD 3.7Å; R94-M141 HydrophobicContact CB-CE 4.14Å; R94-M141 HydrophobicContact CB-SD 3.91Å; L112-M141 HydrophobicContact CD2-CB 3.86Å; L112-M141 HydrophobicContact CD2-CG 3.72Å; E137-M141 PolarHBondContact O-N 3.24Å; G138-M141 PolarHBondContact O-N 3.34Å; M141-K143 VanDerWaalsContact C-N 3.29Å; M141-K143 PolarHBondContact O-N 3.35Å; M141-E144 WeakPolarHBondContact O-CB 3.45Å; M141-E144 PolarHBondContact O-N 3Å; M141-I145 WeakPolarHBondContact O-CG1 3.24Å; M141-I145 PolarHBondContact O-N 2.68Å; M141-I145 HydrophobicContact SD-CG2 4.03Å |
| 142 | A | 98.9 | Very high | 97.9 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 6% | 0.058 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.2 | -39.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L112 G138 R140 K146 A147 | L112-A142 HydrophobicContact CB-CB 4.26Å; L112-A142 HydrophobicContact CD2-CB 3.91Å; G138-A142 PolarHBondContact O-N 3.37Å; R140-A142 PolarHBondContact O-N 3.21Å; A142-K146 PolarHBondContact O-N 3.09Å; A142-K146 VanDerWaalsContact O-N 3.13Å; A142-A147 HydrophobicContact CB-CB 4.03Å; A142-A147 PolarHBondContact O-N 2.64Å |
| 143 | K | 98.5 | Very high | 98.2 | Very high | 178 Ų | 178 | 56.7 Ų | 56.7 | 77% | 0.774 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | 173.2 | -70.4 | 177.7 | -179.6 | -177.9 | 0 | 112 | C139 R140 M141 K146 | C139-K143 WeakPolarHBondContact O-CG 3.42Å; C139-K143 PolarHBondContact O-N 3.38Å; R140-K143 PolarHBondContact O-N 2.57Å; M141-K143 VanDerWaalsContact C-N 3.29Å; M141-K143 PolarHBondContact O-N 3.35Å; K143-K146 PolarHBondContact O-N 3.21Å |
| 144 | E | 98.4 | Very high | 98.3 | Very high | 98 Ų | 98 | 56.7 Ų | 56.7 | 46% | 0.458 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | -179.9 | -174.4 | 172.3 | -176.7 | 0 | 0 | 112 | R94 R140 M141 K146 | R94-E144 WeakPolarHBondContact CD-OE1 3.42Å; R94-E144 IonicContact CZ-OE1 3.05Å; R94-E144 IonicContact NE-OE1 2.84Å; R94-E144 IonicContact NH1-OE1 3Å; R94-E144 PolarHBondContact NH1-OE1 3.49Å; R140-E144 PolarHBondContact O-N 3.36Å; M141-E144 WeakPolarHBondContact O-CB 3.45Å; M141-E144 PolarHBondContact O-N 3Å; E144-K146 VanDerWaalsContact C-N 3.31Å; E144-K146 PolarHBondContact O-N 3.21Å |
| 145 | I | 98.1 | Very high | 98.3 | Very high | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 7.8 | 178.4 | 69.8 | 157.6 | 0 | 0 | 0 | 113.9 | M80 V93 Y98 I110 L112 M141 A147 | M80-I145 HydrophobicContact CE-CD1 4.22Å; M80-I145 HydrophobicContact SD-CD1 3.64Å; V93-I145 HydrophobicContact CG1-CD1 3.84Å; V93-I145 HydrophobicContact CG1-CG2 4.13Å; Y98-I145 HydrophobicContact CD1-CB 4.2Å; Y98-I145 HydrophobicContact CD1-CG2 4Å; Y98-I145 HydrophobicContact CD2-CB 3.63Å; Y98-I145 HydrophobicContact CD2-CG2 4.21Å; Y98-I145 HydrophobicContact CE2-CB 4.05Å; Y98-I145 WeakPolarHBondContact CE2-O 3.34Å; Y98-I145 HydrophobicContact CG-CB 3.69Å; Y98-I145 HydrophobicContact CG-CG2 3.72Å; I110-I145 HydrophobicContact CG2-CD1 4.22Å; L112-I145 HydrophobicContact CB-CD1 4.47Å; L112-I145 HydrophobicContact CD1-CD1 4.25Å; M141-I145 WeakPolarHBondContact O-CG1 3.24Å; M141-I145 PolarHBondContact O-N 2.68Å; M141-I145 HydrophobicContact SD-CG2 4.03Å; I145-A147 HydrophobicContact CD1-CB 4.02Å; I145-A147 HydrophobicContact CG1-CB 3.96Å; I145-A147 PolarHBondContact O-N 2.75Å; I145-A147 VanDerWaalsContact O-N 3.15Å |
| 146 | K | 96.6 | Very high | 98.2 | Very high | 164 Ų | 164 | 52.5 Ų | 52.5 | 71% | 0.713 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 31.7 | -177.9 | -52.2 | 174.7 | -176.7 | 174.7 | 0 | 113.8 | A142 K143 E144 | A142-K146 PolarHBondContact O-N 3.09Å; A142-K146 VanDerWaalsContact O-N 3.13Å; K143-K146 PolarHBondContact O-N 3.21Å; E144-K146 VanDerWaalsContact C-N 3.31Å; E144-K146 PolarHBondContact O-N 3.21Å |
| 147 | A | 98.5 | Very high | 98.1 | Very high | 15 Ų | 15 | 53.2 Ų | 53.2 | 12% | 0.124 | 26% | 0.259 | C | S | . | . | trans | -63.8 | 139.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | I110 L112 A142 I145 K149 | I110-A147 HydrophobicContact CB-CB 4.38Å; I110-A147 HydrophobicContact CG2-CB 4.24Å; I110-A147 CarbonylContact O-C 3.6Å; I110-A147 VanDerWaalsContact O-CA 3.27Å; I110-A147 WeakPolarHBondContact O-CA 3.47Å; I110-A147 WeakPolarHBondContact O-CB 3.27Å; L112-A147 HydrophobicContact CB-CB 4.07Å; A142-A147 HydrophobicContact CB-CB 4.03Å; A142-A147 PolarHBondContact O-N 2.64Å; I145-A147 HydrophobicContact CD1-CB 4.02Å; I145-A147 HydrophobicContact CG1-CB 3.96Å; I145-A147 PolarHBondContact O-N 2.75Å; I145-A147 VanDerWaalsContact O-N 3.15Å; A147-K149 VanDerWaalsContact C-N 3.28Å; A147-K149 PolarHBondContact O-N 3.45Å | ||
| 148 | V | 97.5 | Very high | 98 | Very high | 64 Ų | 64 | 55.1 Ų | 55.1 | 39% | 0.388 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -73.7 | -24.9 | -177.9 | -60.1 | 0 | 0 | 0 | 0 | 111.7 | P109 I110 I111 A171 | P109-V148 HydrophobicContact CB-CG1 4.07Å; P109-V148 HydrophobicContact CB-CG2 4.14Å; I110-V148 PolarHBondContact O-N 2.84Å; I111-V148 HydrophobicContact CD1-CG2 3.42Å; I111-V148 VanDerWaalsContact CD1-CG2 3.42Å; V148-A171 HydrophobicContact CG2-CB 3.89Å |
| 149 | K | 98.1 | Very high | 97.9 | Very high | 84 Ų | 84 | 60.7 Ų | 60.7 | 37% | 0.365 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 155.8 | 171.4 | -73.6 | -162.2 | 171.1 | -173.4 | 0 | 112.3 | I111 L112 A147 E167 | I111-K149 HydrophobicContact CD1-CB 4.22Å; L112-K149 PolarHBondContact N-O 2.94Å; A147-K149 VanDerWaalsContact C-N 3.28Å; A147-K149 PolarHBondContact O-N 3.45Å; K149-E167 HydrophobicContact CD-CB 4.1Å; K149-E167 HydrophobicContact CD-CG 3.87Å; K149-E167 VanDerWaalsContact CD-OE2 3.28Å; K149-E167 WeakPolarHBondContact CD-OE2 3.49Å; K149-E167 WeakPolarHBondContact CE-OE2 3.27Å; K149-E167 IonicContact NZ-OE1 3.21Å; K149-E167 PolarHBondContact NZ-OE1 3.2Å; K149-E167 IonicContact NZ-OE2 2.68Å; K149-E167 PolarHBondContact NZ-OE2 3.39Å |
| 150 | Y | 98.8 | Very high | 97.9 | Very high | 16 Ų | 16 | 59.6 Ų | 59.6 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 130.9 | 162.7 | 175.7 | -123.6 | 0 | 0 | 0 | 108.9 | F82 L112 Y135 E152 | F82-Y150 AromaticContact CE1-CE2 3.79Å; F82-Y150 HydrophobicContact CE1-CE2 3.79Å; F82-Y150 AromaticContact CZ-CE2 3.83Å; F82-Y150 HydrophobicContact CZ-CE2 3.83Å; L112-Y150 HydrophobicContact CB-CD2 4.11Å; L112-Y150 HydrophobicContact CD2-CD2 3.85Å; L112-Y150 HydrophobicContact CD2-CE2 4.32Å; L112-Y150 HydrophobicContact CG-CD2 3.85Å; L112-Y150 HydrophobicContact CG-CE2 4.32Å; L112-Y150 WeakPolarHBondContact O-CA 3.31Å; L112-Y150 WeakPolarHBondContact O-CD2 3.06Å; Y135-Y150 HydrophobicContact CD2-CD1 4.27Å; Y135-Y150 AromaticContact CD2-CE1 3.71Å; Y135-Y150 HydrophobicContact CD2-CE1 3.71Å; Y135-Y150 AromaticContact CE2-CD1 3.97Å; Y135-Y150 HydrophobicContact CE2-CD1 3.97Å; Y135-Y150 AromaticContact CE2-CE1 3.86Å; Y135-Y150 HydrophobicContact CE2-CE1 3.86Å; Y135-Y150 HydrophobicContact CG-CE1 4.25Å; Y150-E152 HydrophobicContact CE1-CG 3.87Å; Y150-E152 HydrophobicContact CE2-CG 4.27Å; Y150-E152 VanDerWaalsContact OH-CD 3.3Å; Y150-E152 WeakPolarHBondContact OH-CG 3.32Å; Y150-E152 PolarHBondContact OH-OE1 3.37Å |
| 151 | L | 98.9 | Very high | 97.9 | Very high | 36 Ų | 36 | 52.3 Ų | 52.3 | 19% | 0.188 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 151.5 | 176.5 | -64.7 | 169.7 | 0 | 0 | 0 | 110 | I111 L112 V113 G114 V164 E167 | I111-L151 HydrophobicContact CG2-CD1 4.09Å; L112-L151 PolarHBondContact O-N 3.27Å; V113-L151 CarbonylContact C-O 3.49Å; V113-L151 WeakPolarHBondContact CA-O 3.34Å; G114-L151 PolarHBondContact N-O 3.42Å; L151-V164 HydrophobicContact CB-CG2 4.01Å; L151-V164 HydrophobicContact CD1-CB 4.5Å; L151-V164 HydrophobicContact CD1-CG2 4.17Å; L151-E167 HydrophobicContact CD1-CB 3.79Å; L151-E167 HydrophobicContact CD1-CG 3.9Å |
| 152 | E | 98.7 | Very high | 97.8 | Very high | 17 Ų | 17 | 57.3 Ų | 57.3 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140 | 173.6 | -66 | -179.2 | 174.2 | 0 | 0 | 109.8 | L84 G114 R117 R120 Y135 Y150 | L84-E152 HydrophobicContact CD1-CB 4.21Å; L84-E152 HydrophobicContact CD1-CG 4.08Å; L84-E152 HydrophobicContact CD2-CG 4.25Å; G114-E152 CarbonylContact O-C 3.6Å; G114-E152 VanDerWaalsContact O-CA 3.23Å; G114-E152 WeakPolarHBondContact O-CA 3.22Å; R117-E152 VanDerWaalsContact CD-OE2 3.27Å; R117-E152 WeakPolarHBondContact CD-OE2 3.45Å; R117-E152 IonicContact NE-OE2 3.98Å; R117-E152 PolarHBondContact NE-OE2 2.94Å; R120-E152 IonicContact CZ-OE1 3.8Å; R120-E152 IonicContact CZ-OE2 3.59Å; R120-E152 VanDerWaalsContact CZ-OE2 3.26Å; R120-E152 VanDerWaalsContact NH1-CD 3.3Å; R120-E152 IonicContact NH1-OE1 3.03Å; R120-E152 PolarHBondContact NH1-OE1 2.74Å; R120-E152 IonicContact NH1-OE2 2.75Å; R120-E152 PolarHBondContact NH1-OE2 2.91Å; R120-E152 IonicContact NH2-OE1 3.86Å; R120-E152 IonicContact NH2-OE2 3.56Å; R120-E152 PolarHBondContact NH2-OE2 3.06Å; Y135-E152 WeakPolarHBondContact CA-OE1 3.5Å; Y135-E152 HydrophobicContact CD2-CG 4.28Å; Y135-E152 WeakPolarHBondContact CD2-OE1 3.48Å; Y150-E152 HydrophobicContact CE1-CG 3.87Å; Y150-E152 HydrophobicContact CE2-CG 4.27Å; Y150-E152 VanDerWaalsContact OH-CD 3.3Å; Y150-E152 WeakPolarHBondContact OH-CG 3.32Å; Y150-E152 PolarHBondContact OH-OE1 3.37Å |
| 153 | C | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.007 | 30% | 0.3 | C | S | . | . | trans | -147.5 | 163.3 | -178.3 | 65.9 | 0 | 0 | 0 | 0 | 113.1 | L19 G114 T115 K116 R117 F159 V164 | L19-C153 WeakPolarHBondContact CD1-SG 3.41Å; G114-C153 PolarHBondContact O-N 2.92Å; T115-C153 CarbonylContact C-O 3.51Å; K116-C153 PolarHBondContact N-O 3Å; K116-C153 VanDerWaalsContact N-O 3.16Å; R117-C153 WeakPolarHBondContact CB-O 3.36Å; R117-C153 PolarHBondContact N-O 3.43Å; C153-F159 CarbonylContact C-O 3.58Å; C153-F159 WeakPolarHBondContact CA-O 3.37Å; C153-F159 VanDerWaalsContact CB-O 3.23Å; C153-F159 WeakPolarHBondContact CB-O 3.39Å; C153-V164 HydrophobicContact CB-CG2 4.06Å | ||
| 154 | S | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -123.3 | 124.4 | 166 | 176.9 | 0 | 0 | 0 | 0 | 109.1 | D118 L156 T157 Q158 F159 | D118-S154 VanDerWaalsContact OD1-CB 3.22Å; D118-S154 WeakPolarHBondContact OD1-CB 3.47Å; D118-S154 PolarHBondContact OD1-OG 3.32Å; S154-L156 VanDerWaalsContact C-N 3.25Å; S154-L156 PolarHBondContact OG-N 3.4Å; S154-L156 VanDerWaalsContact OG-N 3.17Å; S154-T157 VanDerWaalsContact CB-OG1 3.23Å; S154-T157 WeakPolarHBondContact CB-OG1 3.35Å; S154-T157 PolarHBondContact OG-N 3.12Å; S154-T157 VanDerWaalsContact OG-N 3.1Å; S154-T157 PolarHBondContact OG-OG1 3.11Å; S154-Q158 CarbonylContact O-C 3.58Å; S154-Q158 WeakPolarHBondContact O-CA 3.4Å; S154-Q158 PolarHBondContact O-N 2.98Å; S154-F159 PolarHBondContact N-O 3.26Å; S154-F159 PolarHBondContact O-N 3.21Å | ||
| 155 | A | 97.7 | Very high | 97.8 | Very high | 12 Ų | 12 | 48 Ų | 48 | 10% | 0.099 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -26.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | C18 S22 F28 | C18-A155 HydrophobicContact CB-CB 3.84Å; C18-A155 WeakPolarHBondContact O-CB 3.14Å; S22-A155 WeakPolarHBondContact CB-O 3.45Å; S22-A155 PolarHBondContact OG-O 2.99Å; F28-A155 HydrophobicContact CD2-CB 4.03Å; F28-A155 HydrophobicContact CE2-CB 4.01Å |
| 156 | L | 95.1 | Very high | 97.7 | Very high | 96 Ų | 96 | 48.5 Ų | 48.5 | 50% | 0.503 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -50.1 | -178.4 | 176.6 | 63.6 | 0 | 0 | 0 | 111.5 | F28 S154 | F28-L156 HydrophobicContact CB-CD1 4.21Å; F28-L156 HydrophobicContact CD1-CD1 3.81Å; F28-L156 HydrophobicContact CD2-CB 3.99Å; F28-L156 HydrophobicContact CD2-CD1 4.28Å; F28-L156 HydrophobicContact CE1-CD1 4.23Å; F28-L156 HydrophobicContact CE2-CB 4.03Å; F28-L156 HydrophobicContact CG-CB 4.4Å; F28-L156 HydrophobicContact CG-CD1 3.83Å; F28-L156 HydrophobicContact CZ-CB 4.5Å; S154-L156 VanDerWaalsContact C-N 3.25Å; S154-L156 PolarHBondContact OG-N 3.4Å; S154-L156 VanDerWaalsContact OG-N 3.17Å |
| 157 | T | 95.6 | Very high | 97.8 | Very high | 89 Ų | 89 | 42.1 Ų | 42.1 | 55% | 0.546 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -4.3 | -179.6 | 68.6 | 0 | 0 | 0 | 0 | 113.1 | D118 S154 F159 | D118-T157 HydrophobicContact CB-CG2 4.02Å; S154-T157 VanDerWaalsContact CB-OG1 3.23Å; S154-T157 WeakPolarHBondContact CB-OG1 3.35Å; S154-T157 PolarHBondContact OG-N 3.12Å; S154-T157 VanDerWaalsContact OG-N 3.1Å; S154-T157 PolarHBondContact OG-OG1 3.11Å; T157-F159 PolarHBondContact O-N 2.97Å; T157-F159 VanDerWaalsContact O-N 3.11Å; T157-F159 WeakPolarHBondContact OG1-CB 3.25Å; T157-F159 PolarHBondContact OG1-N 3.42Å |
| 158 | Q | 96.6 | Very high | 97.8 | Very high | 71 Ų | 71 | 41.4 Ų | 41.4 | 33% | 0.332 | 21% | 0.211 | S | C | . | . | trans | 60.6 | 9.1 | -172.8 | -58.1 | -176.6 | -23.4 | 0 | 0 | 115.2 | N26 S154 G160 L161 | N26-Q158 PolarHBondContact OD1-NE2 2.76Å; N26-Q158 PolarHBondContact OD1-OE1 3.36Å; S154-Q158 CarbonylContact O-C 3.58Å; S154-Q158 WeakPolarHBondContact O-CA 3.4Å; S154-Q158 PolarHBondContact O-N 2.98Å; Q158-G160 PolarHBondContact O-N 3.16Å; Q158-L161 HydrophobicContact CB-CB 4.42Å; Q158-L161 HydrophobicContact CB-CD2 4.2Å; Q158-L161 HydrophobicContact CG-CD2 4Å; Q158-L161 VanDerWaalsContact O-CB 3.31Å; Q158-L161 WeakPolarHBondContact O-CB 3.16Å; Q158-L161 PolarHBondContact O-N 3.42Å | ||
| 159 | F | 97.6 | Very high | 97.8 | Very high | 118 Ų | 118 | 38.3 Ų | 38.3 | 52% | 0.518 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 128 | 173 | 175.6 | -91 | 0 | 0 | 0 | 110.6 | R117 C153 S154 T157 L161 | R117-F159 HydrophobicContact CB-CD1 4.37Å; R117-F159 HydrophobicContact CG-CD1 3.9Å; R117-F159 HydrophobicContact CG-CE1 4.05Å; C153-F159 CarbonylContact C-O 3.58Å; C153-F159 WeakPolarHBondContact CA-O 3.37Å; C153-F159 VanDerWaalsContact CB-O 3.23Å; C153-F159 WeakPolarHBondContact CB-O 3.39Å; S154-F159 PolarHBondContact N-O 3.26Å; S154-F159 PolarHBondContact O-N 3.21Å; T157-F159 PolarHBondContact O-N 2.97Å; T157-F159 VanDerWaalsContact O-N 3.11Å; T157-F159 WeakPolarHBondContact OG1-CB 3.25Å; T157-F159 PolarHBondContact OG1-N 3.42Å; F159-L161 PolarHBondContact O-N 3.04Å |
| 160 | G | 98.1 | Very high | 97.8 | Very high | 13 Ų | 13 | 37.2 Ų | 37.2 | 13% | 0.134 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q158 D163 V164 | Q158-G160 PolarHBondContact O-N 3.16Å; G160-D163 PolarHBondContact O-N 3.03Å; G160-V164 WeakPolarHBondContact O-CG2 3.42Å; G160-V164 PolarHBondContact O-N 3.31Å |
| 161 | L | 97.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 37.3 Ų | 37.3 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.9 | -49.6 | -171.1 | -177 | 62.6 | 0 | 0 | 0 | 111.7 | L19 S22 Y23 Q158 F159 D163 V164 F165 | L19-L161 HydrophobicContact CD1-CD1 3.3Å; L19-L161 HydrophobicContact CG-CD1 3.88Å; S22-L161 WeakPolarHBondContact OG-CD2 3.38Å; Y23-L161 HydrophobicContact CD2-CG 4.38Å; Q158-L161 HydrophobicContact CB-CB 4.42Å; Q158-L161 HydrophobicContact CB-CD2 4.2Å; Q158-L161 HydrophobicContact CG-CD2 4Å; Q158-L161 VanDerWaalsContact O-CB 3.31Å; Q158-L161 WeakPolarHBondContact O-CB 3.16Å; Q158-L161 PolarHBondContact O-N 3.42Å; F159-L161 PolarHBondContact O-N 3.04Å; L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3Å; L161-V164 PolarHBondContact O-N 3.27Å; L161-F165 HydrophobicContact CD1-CE2 3.87Å; L161-F165 HydrophobicContact CG-CE2 4.42Å; L161-F165 VanDerWaalsContact O-CD2 3.23Å; L161-F165 WeakPolarHBondContact O-CD2 3.35Å |
| 162 | K | 96.8 | Very high | 97.5 | Very high | 116 Ų | 116 | 37.1 Ų | 37.1 | 50% | 0.504 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61.5 | -40.4 | 177.4 | -171.4 | -174.2 | -174.2 | -53.6 | 0 | 111.7 | V164 F165 D166 | K162-V164 VanDerWaalsContact C-N 3.29Å; K162-V164 PolarHBondContact O-N 2.88Å; K162-F165 PolarHBondContact O-N 3.37Å; K162-D166 IonicContact NZ-OD1 3.93Å; K162-D166 PolarHBondContact NZ-OD1 3.26Å; K162-D166 IonicContact NZ-OD2 3.89Å; K162-D166 PolarHBondContact NZ-OD2 3.21Å; K162-D166 WeakPolarHBondContact O-CB 3.47Å; K162-D166 PolarHBondContact O-N 2.94Å |
| 163 | D | 98.4 | Very high | 97.2 | Very high | 87 Ų | 87 | 37.5 Ų | 37.5 | 47% | 0.465 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -61.8 | -37.7 | -177.9 | -60.6 | -38.7 | 0 | 0 | 0 | 111.7 | G160 L161 F165 E167 | G160-D163 PolarHBondContact O-N 3.03Å; L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3Å; D163-F165 PolarHBondContact O-N 2.92Å; D163-E167 VanDerWaalsContact O-CB 3.25Å; D163-E167 WeakPolarHBondContact O-CB 3.48Å; D163-E167 WeakPolarHBondContact O-CG 3.38Å; D163-E167 PolarHBondContact O-N 3.12Å |
| 164 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.8 | -48.6 | 175.3 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | L19 L79 V113 L151 C153 G160 L161 K162 A168 | L19-V164 HydrophobicContact CD2-CG1 4.48Å; L79-V164 HydrophobicContact CD1-CG1 3.73Å; L79-V164 HydrophobicContact CD2-CG1 3.75Å; L79-V164 HydrophobicContact CG-CG1 4.38Å; V113-V164 HydrophobicContact CG1-CG1 4.34Å; V113-V164 HydrophobicContact CG1-CG2 3.97Å; V113-V164 HydrophobicContact CG2-CG1 3.84Å; V113-V164 HydrophobicContact CG2-CG2 4.43Å; L151-V164 HydrophobicContact CB-CG2 4.01Å; L151-V164 HydrophobicContact CD1-CB 4.5Å; L151-V164 HydrophobicContact CD1-CG2 4.17Å; C153-V164 HydrophobicContact CB-CG2 4.06Å; G160-V164 WeakPolarHBondContact O-CG2 3.42Å; G160-V164 PolarHBondContact O-N 3.31Å; L161-V164 PolarHBondContact O-N 3.27Å; K162-V164 VanDerWaalsContact C-N 3.29Å; K162-V164 PolarHBondContact O-N 2.88Å; V164-A168 WeakPolarHBondContact O-CB 3.27Å; V164-A168 PolarHBondContact O-N 3.5Å |
| 165 | F | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -78.4 | -37.4 | -177.2 | -63.9 | -78.2 | 0 | 0 | 0 | 112.8 | L19 L20 Y23 L53 L55 L79 L161 K162 D163 E167 A168 I169 | L19-F165 HydrophobicContact CD2-CZ 4.04Å; L19-F165 HydrophobicContact CG-CE2 4.15Å; L19-F165 HydrophobicContact CG-CZ 3.96Å; L20-F165 HydrophobicContact CD2-CE1 3.89Å; L20-F165 HydrophobicContact CD2-CZ 3.94Å; Y23-F165 VanDerWaalsContact CB-CE2 3.41Å; Y23-F165 HydrophobicContact CD1-CD1 4.16Å; Y23-F165 AromaticContact CD1-CD2 3.73Å; Y23-F165 HydrophobicContact CD1-CD2 3.73Å; Y23-F165 HydrophobicContact CD1-CE1 4.2Å; Y23-F165 AromaticContact CD1-CE2 3.8Å; Y23-F165 HydrophobicContact CD1-CE2 3.8Å; Y23-F165 AromaticContact CD1-CG 3.92Å; Y23-F165 HydrophobicContact CD1-CG 3.92Å; Y23-F165 HydrophobicContact CD1-CZ 4.02Å; Y23-F165 HydrophobicContact CD2-CB 4.49Å; Y23-F165 AromaticContact CD2-CD2 3.26Å; Y23-F165 HydrophobicContact CD2-CD2 3.26Å; Y23-F165 AromaticContact CD2-CE2 3.65Å; Y23-F165 HydrophobicContact CD2-CE2 3.65Å; Y23-F165 HydrophobicContact CD2-CG 4.03Å; Y23-F165 HydrophobicContact CE1-CB 4.05Å; Y23-F165 HydrophobicContact CE1-CD1 4.1Å; Y23-F165 AromaticContact CE1-CD2 3.95Å; Y23-F165 HydrophobicContact CE1-CD2 3.95Å; Y23-F165 HydrophobicContact CE1-CE2 4.46Å; Y23-F165 AromaticContact CE1-CG 3.75Å; Y23-F165 HydrophobicContact CE1-CG 3.75Å; Y23-F165 HydrophobicContact CE2-CB 3.83Å; Y23-F165 AromaticContact CE2-CD2 3.49Å; Y23-F165 HydrophobicContact CE2-CD2 3.49Å; Y23-F165 VanDerWaalsContact CE2-CD2 3.49Å; Y23-F165 HydrophobicContact CE2-CE2 4.31Å; Y23-F165 AromaticContact CE2-CG 3.85Å; Y23-F165 HydrophobicContact CE2-CG 3.85Å; Y23-F165 AromaticContact CG-CD2 3.37Å; Y23-F165 HydrophobicContact CG-CD2 3.37Å; Y23-F165 AromaticContact CG-CE2 3.33Å; Y23-F165 HydrophobicContact CG-CE2 3.33Å; Y23-F165 HydrophobicContact CG-CG 4.04Å; Y23-F165 AromaticContact CG-CZ 3.95Å; Y23-F165 HydrophobicContact CG-CZ 3.95Å; Y23-F165 AromaticContact CZ-CD2 3.81Å; Y23-F165 AromaticContact CZ-CG 3.69Å; L53-F165 HydrophobicContact CD2-CB 4.34Å; L53-F165 HydrophobicContact CD2-CD1 3.92Å; L53-F165 HydrophobicContact CD2-CG 4.5Å; L55-F165 HydrophobicContact CD2-CD1 3.92Å; L55-F165 HydrophobicContact CD2-CE1 3.6Å; L79-F165 HydrophobicContact CD1-CD1 4.14Å; L79-F165 HydrophobicContact CD1-CE1 3.7Å; L79-F165 HydrophobicContact CD1-CZ 4.24Å; L161-F165 HydrophobicContact CD1-CE2 3.87Å; L161-F165 HydrophobicContact CG-CE2 4.42Å; L161-F165 VanDerWaalsContact O-CD2 3.23Å; L161-F165 WeakPolarHBondContact O-CD2 3.35Å; K162-F165 PolarHBondContact O-N 3.37Å; D163-F165 PolarHBondContact O-N 2.92Å; F165-E167 VanDerWaalsContact C-N 3.28Å; F165-E167 PolarHBondContact O-N 2.71Å; F165-A168 PolarHBondContact O-N 3.31Å; F165-I169 WeakPolarHBondContact O-CG1 3.4Å; F165-I169 PolarHBondContact O-N 2.89Å |
| 166 | D | 97.7 | Very high | 94.1 | Very high | 13 Ų | 13 | 51.4 Ų | 51.4 | 7% | 0.07 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58 | -44 | 172.9 | -83.6 | 20 | 0 | 0 | 0 | 110.7 | K162 I169 R170 | K162-D166 IonicContact NZ-OD1 3.93Å; K162-D166 PolarHBondContact NZ-OD1 3.26Å; K162-D166 IonicContact NZ-OD2 3.89Å; K162-D166 PolarHBondContact NZ-OD2 3.21Å; K162-D166 WeakPolarHBondContact O-CB 3.47Å; K162-D166 PolarHBondContact O-N 2.94Å; D166-I169 PolarHBondContact O-N 3.27Å; D166-R170 WeakPolarHBondContact O-CG 3.27Å; D166-R170 PolarHBondContact O-N 3.46Å; D166-R170 IonicContact OD2-NH2 3.26Å |
| 167 | E | 98.1 | Very high | 92.3 | Very high | 29 Ų | 29 | 50.7 Ų | 50.7 | 14% | 0.136 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.2 | -34.3 | 179.8 | -69.7 | -57.1 | 157.9 | 0 | 0 | 113.6 | K149 L151 D163 F165 I169 R170 A171 | K149-E167 HydrophobicContact CD-CB 4.1Å; K149-E167 HydrophobicContact CD-CG 3.87Å; K149-E167 VanDerWaalsContact CD-OE2 3.28Å; K149-E167 WeakPolarHBondContact CD-OE2 3.49Å; K149-E167 WeakPolarHBondContact CE-OE2 3.27Å; K149-E167 IonicContact NZ-OE1 3.21Å; K149-E167 PolarHBondContact NZ-OE1 3.2Å; K149-E167 IonicContact NZ-OE2 2.68Å; K149-E167 PolarHBondContact NZ-OE2 3.39Å; L151-E167 HydrophobicContact CD1-CB 3.79Å; L151-E167 HydrophobicContact CD1-CG 3.9Å; D163-E167 VanDerWaalsContact O-CB 3.25Å; D163-E167 WeakPolarHBondContact O-CB 3.48Å; D163-E167 WeakPolarHBondContact O-CG 3.38Å; D163-E167 PolarHBondContact O-N 3.12Å; F165-E167 VanDerWaalsContact C-N 3.28Å; F165-E167 PolarHBondContact O-N 2.71Å; E167-I169 VanDerWaalsContact C-N 3.31Å; E167-I169 PolarHBondContact O-N 3.07Å; E167-R170 PolarHBondContact O-N 2.81Å; E167-R170 IonicContact OE1-CZ 2.93Å; E167-R170 IonicContact OE1-NH1 3.52Å; E167-R170 PolarHBondContact OE1-NH1 3.25Å; E167-A171 WeakPolarHBondContact O-CB 2.86Å; E167-A171 PolarHBondContact O-N 3.11Å |
| 168 | A | 98.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.2 | V77 L79 I111 V164 F165 A171 | V77-A168 HydrophobicContact CG1-CB 4.08Å; V77-A168 HydrophobicContact CG2-CB 3.99Å; L79-A168 HydrophobicContact CD2-CB 3.89Å; I111-A168 HydrophobicContact CG1-CB 4.11Å; V164-A168 WeakPolarHBondContact O-CB 3.27Å; V164-A168 PolarHBondContact O-N 3.5Å; F165-A168 PolarHBondContact O-N 3.31Å; A168-A171 PolarHBondContact O-N 2.8Å |
| 169 | I | 97.9 | Very high | 87.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.8 | -45.5 | 176.1 | -70.8 | 165.4 | 0 | 0 | 0 | 111.2 | I4 V44 V46 V51 L53 F165 D166 E167 A171 V172 L173 | I4-I169 HydrophobicContact CD1-CB 4.46Å; I4-I169 HydrophobicContact CD1-CG1 4.37Å; I4-I169 HydrophobicContact CD1-CG2 4.02Å; V44-I169 HydrophobicContact CG2-CD1 3.39Å; V46-I169 HydrophobicContact CB-CG2 3.85Å; V46-I169 HydrophobicContact CG1-CG2 4.05Å; V46-I169 HydrophobicContact CG2-CB 4.16Å; V46-I169 HydrophobicContact CG2-CD1 3.62Å; V46-I169 HydrophobicContact CG2-CG2 3.91Å; V51-I169 HydrophobicContact CG1-CD1 4.31Å; V51-I169 HydrophobicContact CG1-CG1 4.39Å; V51-I169 HydrophobicContact CG1-CG2 4.49Å; V51-I169 HydrophobicContact CG2-CG2 3.94Å; L53-I169 HydrophobicContact CD1-CD1 4.42Å; L53-I169 HydrophobicContact CD1-CG1 4.09Å; L53-I169 HydrophobicContact CD2-CD1 4.11Å; F165-I169 WeakPolarHBondContact O-CG1 3.4Å; F165-I169 PolarHBondContact O-N 2.89Å; D166-I169 PolarHBondContact O-N 3.27Å; E167-I169 VanDerWaalsContact C-N 3.31Å; E167-I169 PolarHBondContact O-N 3.07Å; I169-A171 VanDerWaalsContact C-N 3.28Å; I169-A171 PolarHBondContact O-N 3.44Å; I169-V172 PolarHBondContact O-N 2.82Å; I169-V172 VanDerWaalsContact O-N 3.14Å; I169-L173 HydrophobicContact CG2-CD1 3.57Å; I169-L173 HydrophobicContact CG2-CG 3.97Å; I169-L173 WeakPolarHBondContact O-CG 3.44Å; I169-L173 PolarHBondContact O-N 3.4Å |
| 170 | R | 96.9 | Very high | 85.5 | Confident | 61 Ų | 61 | 61.9 Ų | 61.9 | 23% | 0.23 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60.2 | -38.1 | 177.7 | -76.2 | -180 | -174 | 117.8 | 13.1 | 112.1 | V46 D47 D166 E167 V172 L173 M174 | V46-R170 HydrophobicContact CG1-CG 3.98Å; D47-R170 IonicContact OD1-CZ 2.88Å; D47-R170 IonicContact OD1-NE 3.35Å; D47-R170 PolarHBondContact OD1-NE 2.88Å; D47-R170 IonicContact OD1-NH2 3.95Å; D47-R170 PolarHBondContact OD1-NH2 3.14Å; D47-R170 IonicContact OD2-CZ 3.03Å; D47-R170 IonicContact OD2-NE 3.17Å; D47-R170 PolarHBondContact OD2-NE 3.11Å; D47-R170 IonicContact OD2-NH2 2.72Å; D166-R170 WeakPolarHBondContact O-CG 3.27Å; D166-R170 PolarHBondContact O-N 3.46Å; D166-R170 IonicContact OD2-NH2 3.26Å; E167-R170 PolarHBondContact O-N 2.81Å; E167-R170 IonicContact OE1-CZ 2.93Å; E167-R170 IonicContact OE1-NH1 3.52Å; E167-R170 PolarHBondContact OE1-NH1 3.25Å; R170-V172 PolarHBondContact O-N 3.12Å; R170-L173 PolarHBondContact O-N 3.13Å; R170-M174 CarbonylContact O-C 3.55Å; R170-M174 WeakPolarHBondContact O-CA 3.41Å; R170-M174 PolarHBondContact O-N 2.73Å |
| 171 | A | 96.6 | Very high | 83 | Confident | 18 Ų | 18 | 70.7 Ų | 70.7 | 15% | 0.149 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.8 | -32.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | P109 I111 V148 E167 A168 I169 | P109-A171 HydrophobicContact CB-CB 3.92Å; P109-A171 HydrophobicContact CG-CB 4.05Å; I111-A171 HydrophobicContact CD1-CB 4.22Å; V148-A171 HydrophobicContact CG2-CB 3.89Å; E167-A171 WeakPolarHBondContact O-CB 2.86Å; E167-A171 PolarHBondContact O-N 3.11Å; A168-A171 PolarHBondContact O-N 2.8Å; I169-A171 VanDerWaalsContact C-N 3.28Å; I169-A171 PolarHBondContact O-N 3.44Å |
| 172 | V | 95.9 | Very high | 80.5 | Confident | 31 Ų | 31 | 79.4 Ų | 79.4 | 19% | 0.188 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -84.4 | -44.8 | 176.6 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | I4 D76 V77 P109 I169 R170 | I4-V172 HydrophobicContact CD1-CB 4.01Å; I4-V172 HydrophobicContact CD1-CG1 4Å; I4-V172 HydrophobicContact CG1-CG1 4.22Å; I4-V172 HydrophobicContact CG2-CG2 4.06Å; D76-V172 HydrophobicContact CB-CG1 4.11Å; D76-V172 HydrophobicContact CB-CG2 3.9Å; D76-V172 WeakPolarHBondContact O-CG2 3.31Å; V77-V172 HydrophobicContact CB-CG2 3.74Å; V77-V172 HydrophobicContact CG1-CG2 4Å; P109-V172 HydrophobicContact CG-CG2 4.45Å; I169-V172 PolarHBondContact O-N 2.82Å; I169-V172 VanDerWaalsContact O-N 3.14Å; R170-V172 PolarHBondContact O-N 3.12Å |
| 173 | L | 93.1 | Very high | 78 | Confident | 25 Ų | 25 | 78.8 Ų | 78.8 | 13% | 0.131 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -76 | -28.3 | -173.9 | -65.4 | -172.9 | 0 | 0 | 0 | 113.8 | I4 K49 V51 I169 R170 | I4-L173 HydrophobicContact CD1-CD2 3.95Å; I4-L173 HydrophobicContact CD1-CG 4.08Å; K49-L173 HydrophobicContact CB-CD1 4.43Å; K49-L173 HydrophobicContact CD-CD1 4.11Å; V51-L173 HydrophobicContact CG2-CD1 3.9Å; I169-L173 HydrophobicContact CG2-CD1 3.57Å; I169-L173 HydrophobicContact CG2-CG 3.97Å; I169-L173 WeakPolarHBondContact O-CG 3.44Å; I169-L173 PolarHBondContact O-N 3.4Å; R170-L173 PolarHBondContact O-N 3.13Å |
| 174 | M | 85.7 | Confident | 75.3 | Confident | 87 Ų | 87 | 80.5 Ų | 80.5 | 43% | 0.429 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -136.6 | 63.4 | -174.1 | -54.9 | -169.7 | -156.3 | 0 | 0 | 110.6 | D47 R170 | D47-M174 HydrophobicContact CB-CE 3.96Å; D47-M174 WeakPolarHBondContact OD2-CE 3.5Å; R170-M174 CarbonylContact O-C 3.55Å; R170-M174 WeakPolarHBondContact O-CA 3.41Å; R170-M174 PolarHBondContact O-N 2.73Å |
| 175 | P | 74.6 | Confident | 72.1 | Confident | 63 Ų | 63 | 85.5 Ų | 85.5 | 41% | 0.409 | 46% | 0.455 | S | S | . | . | trans | -57 | 143.7 | 179.2 | 24.3 | -33.5 | 0 | 0 | 0 | 110.6 | G177 K178 | P175-G177 PolarHBondContact O-N 3.04Å; P175-K178 PolarHBondContact O-N 3.34Å; P175-K178 VanDerWaalsContact O-N 3.11Å | ||
| 176 | E | 67.4 | Low | 69.5 | Low | 156 Ų | 156 | 94.3 Ų | 94.3 | 73% | 0.729 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 127.6 | 178.5 | -64.1 | -150.5 | 130.7 | 0 | 0 | 110 | K179 | E176-K179 IonicContact OE1-NZ 2.83Š|
| 177 | G | 57.4 | Low | 66.7 | Low | 80 Ų | 80 | 101.2 Ų | 101.2 | 83% | 0.825 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 118.9 | -23.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P175 | P175-G177 PolarHBondContact O-N 3.04Š|
| 178 | K | 50.6 | Low | 64 | Low | 156 Ų | 156 | 111.5 Ų | 111.5 | 68% | 0.678 | 59% | 0.586 | S | S | * | * | trans | -101.5 | 6.4 | 174.6 | -71 | -167.7 | -177.6 | 176.9 | 0 | 115.5 | P175 K180 | P175-K178 PolarHBondContact O-N 3.34Å; P175-K178 VanDerWaalsContact O-N 3.11Å; K178-K180 PolarHBondContact O-N 3.4Å | ||
| 179 | K | 50.1 | Low | 62.3 | Low | 165 Ų | 165 | 117.1 Ų | 117.1 | 72% | 0.717 | 62% | 0.615 | S | S | * | * | trans | -55.9 | 106 | 169.5 | -74.3 | -176.4 | -176.9 | 166.7 | 0 | 106.8 | E176 K181 | E176-K179 IonicContact OE1-NZ 2.83Å; K179-K181 PolarHBondContact O-N 2.75Å | ||
| 180 | K | 46.9 | Very low | 60.4 | Low | 192 Ų | 192 | 123.3 Ų | 123.3 | 84% | 0.835 | 65% | 0.647 | S | S | * | * | trans | -51.1 | 113.9 | 175 | -75.2 | -177.4 | 175.3 | -177.1 | 0 | 105 | K178 H182 | K178-K180 PolarHBondContact O-N 3.4Å; K180-H182 PolarHBondContact O-N 3.07Å | ||
| 181 | K | 45.2 | Very low | 58.4 | Low | 199 Ų | 199 | 126.7 Ų | 126.7 | 87% | 0.865 | 67% | 0.671 | S | S | * | * | trans | -48.9 | 115.1 | 160.5 | -75 | -177.4 | 174.5 | 179.6 | 0 | 103.8 | K179 S183 | K179-K181 PolarHBondContact O-N 2.75Å; K181-S183 PolarHBondContact O-N 3.2Å | ||
| 182 | H | 45.5 | Very low | 56.2 | Low | 190 Ų | 190 | 133.1 Ų | 133.1 | 88% | 0.88 | 70% | 0.701 | S | S | * | * | trans | -56.1 | 99.8 | 169.6 | -93.2 | -97.2 | 0 | 0 | 0 | 105.1 | K180 S184 | K180-H182 PolarHBondContact O-N 3.07Å; H182-S184 VanDerWaalsContact C-N 3.28Å; H182-S184 PolarHBondContact O-N 3.3Å | ||
| 183 | S | 45.3 | Very low | 53.7 | Low | 102 Ų | 102 | 139.5 Ų | 139.5 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | -63 | 101.3 | 162.6 | 52 | 0 | 0 | 0 | 0 | 104 | K181 C185 | K181-S183 PolarHBondContact O-N 3.2Å; S183-C185 VanDerWaalsContact C-N 3.29Å; S183-C185 PolarHBondContact O-N 3.03Å | ||
| 184 | S | 40.9 | Very low | 51.1 | Low | 123 Ų | 123 | 147.1 Ų | 147.1 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -58.1 | 104.8 | 163.5 | 57.3 | 0 | 0 | 0 | 0 | 105.7 | H182 | H182-S184 VanDerWaalsContact C-N 3.28Å; H182-S184 PolarHBondContact O-N 3.3Å | ||
| 185 | C | 32.6 | Very low | 48.6 | Very low | 106 Ų | 106 | 151.4 Ų | 151.4 | 72% | 0.716 | 80% | 0.798 | S | S | * | * | trans | -112.3 | 93 | 177.5 | -160.4 | 0 | 0 | 0 | 0 | 104.8 | S183 | S183-C185 VanDerWaalsContact C-N 3.29Å; S183-C185 PolarHBondContact O-N 3.03Å | ||
| 186 | E | 41.9 | Very low | 46.6 | Very low | 185 Ų | 185 | 158.2 Ų | 158.2 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | -129.7 | 92 | 158.3 | -71.5 | -174.9 | 173.1 | 0 | 0 | 103.2 | ||||
| 187 | L | 39.5 | Very low | 44.9 | Very low | 157 Ų | 157 | 158.4 Ų | 158.4 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | 66.8 | 117.5 | 91.8 | -73.3 | 169.6 | 0 | 0 | 0 | 111.6 | |||||
| 188 | I | 42.4 | Very low | 43.7 | Very low | 246 Ų | 246 | 165.5 Ų | 165.5 | 100% | 1.262 | 84% | 0.838 | S | S | * | * | trans | -40.4 | 0 | -179.5 | -59.9 | 166.1 | 0 | 0 | 0 | 113 |
Retrieved 188 of 188 residues in 562.1 ms
(Link to these results)