| 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 | 70 | Confident | 90.1 | Very high | 185 Ų | 185 | 102.8 Ų | 102.8 | 91% | 0.911 | 49% | 0.487 | S | S | * | . | 0 | -64.6 | 0 | -163.4 | 165.8 | 158.4 | 0 | 0 | 112.5 | D3 D4 L5 | M1-D3 PolarHBondContact O-N 3.35Å; M1-D4 WeakPolarHBondContact CA-OD2 3.48Å; M1-D4 PolarHBondContact N-OD2 3.12Å; M1-D4 PolarHBondContact O-N 2.97Å; M1-L5 PolarHBondContact O-N 3.2Å | |||
| 2 | A | 78.4 | Confident | 90.6 | Very high | 75 Ų | 75 | 97.1 Ų | 97.1 | 62% | 0.62 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.4 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | D4 L5 K6 | A2-D4 VanDerWaalsContact C-N 3.34Å; A2-D4 PolarHBondContact O-N 3.09Å; A2-L5 PolarHBondContact O-N 3.36Å; A2-K6 WeakPolarHBondContact O-CB 3.44Å; A2-K6 PolarHBondContact O-N 3.46Å |
| 3 | D | 86.9 | Confident | 91.1 | Very high | 112 Ų | 112 | 90.5 Ų | 90.5 | 60% | 0.599 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.5 | -34.3 | 176.4 | -68.6 | -42.6 | 0 | 0 | 0 | 113.1 | M1 K6 R7 | M1-D3 PolarHBondContact O-N 3.35Å; D3-K6 PolarHBondContact O-N 3.28Å; D3-R7 WeakPolarHBondContact O-CB 3.43Å; D3-R7 VanDerWaalsContact O-CG 3.28Å; D3-R7 WeakPolarHBondContact O-CG 3.26Å; D3-R7 PolarHBondContact O-N 3.1Å |
| 4 | D | 90.8 | Very high | 91.5 | Very high | 93 Ų | 93 | 96.5 Ų | 96.5 | 50% | 0.497 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.1 | -42.7 | 177.6 | -54.2 | -54.5 | 0 | 0 | 0 | 110.7 | M1 A2 K6 R7 Y8 | M1-D4 WeakPolarHBondContact CA-OD2 3.48Å; M1-D4 PolarHBondContact N-OD2 3.12Å; M1-D4 PolarHBondContact O-N 2.97Å; A2-D4 VanDerWaalsContact C-N 3.34Å; A2-D4 PolarHBondContact O-N 3.09Å; D4-K6 VanDerWaalsContact C-N 3.34Å; D4-R7 PolarHBondContact O-N 3Å; D4-Y8 WeakPolarHBondContact O-CB 3.18Å; D4-Y8 PolarHBondContact O-N 3.01Å |
| 5 | L | 90.9 | Very high | 91.8 | Very high | 28 Ų | 28 | 94.1 Ų | 94.1 | 15% | 0.147 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 173.5 | -176 | 61.4 | 0 | 0 | 0 | 111 | M1 A2 R7 Y8 L9 I33 L117 | M1-L5 PolarHBondContact O-N 3.2Å; A2-L5 PolarHBondContact O-N 3.36Å; L5-R7 PolarHBondContact O-N 3.38Å; L5-Y8 HydrophobicContact CD1-CD1 4.39Å; L5-Y8 PolarHBondContact O-N 2.78Å; L5-L9 HydrophobicContact CD1-CD1 4.44Å; L5-L9 HydrophobicContact CD1-CG 4.21Å; L5-L9 HydrophobicContact CG-CD1 4.14Å; L5-L9 HydrophobicContact CG-CG 4.33Å; L5-L9 WeakPolarHBondContact O-CB 3.35Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.47Å; L5-L9 PolarHBondContact O-N 2.92Å; L5-I33 HydrophobicContact CB-CD1 4.13Å; L5-I33 HydrophobicContact CD2-CD1 3.91Å; L5-I33 HydrophobicContact CG-CD1 3.81Å; L5-L117 HydrophobicContact CD2-CD1 3.79Å; L5-L117 HydrophobicContact CD2-CD2 3.86Å; L5-L117 HydrophobicContact CD2-CG 4.12Å |
| 6 | K | 94.1 | Very high | 92.2 | Very high | 105 Ų | 105 | 88.5 Ų | 88.5 | 46% | 0.457 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 176.2 | -166.5 | 178.9 | -179.6 | -179.3 | 0 | 111.6 | A2 D3 D4 L9 Y10 I33 K34 V35 | A2-K6 WeakPolarHBondContact O-CB 3.44Å; A2-K6 PolarHBondContact O-N 3.46Å; D3-K6 PolarHBondContact O-N 3.28Å; D4-K6 VanDerWaalsContact C-N 3.34Å; K6-L9 PolarHBondContact O-N 3.33Å; K6-Y10 WeakPolarHBondContact O-CB 3.32Å; K6-Y10 PolarHBondContact O-N 3.17Å; K6-I33 HydrophobicContact CB-CD1 4.03Å; K6-K34 WeakPolarHBondContact CE-O 3.49Å; K6-V35 HydrophobicContact CB-CG1 4.47Å; K6-V35 HydrophobicContact CG-CG1 3.53Å; K6-V35 WeakPolarHBondContact O-CG1 3.47Å |
| 7 | R | 95.6 | Very high | 92.5 | Very high | 173 Ų | 173 | 93.9 Ų | 93.9 | 65% | 0.653 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -62.8 | -42 | 175.1 | -74 | 171.1 | -179.9 | 178.8 | 0.2 | 111.9 | D3 D4 L5 Y10 K11 | D3-R7 WeakPolarHBondContact O-CB 3.43Å; D3-R7 VanDerWaalsContact O-CG 3.28Å; D3-R7 WeakPolarHBondContact O-CG 3.26Å; D3-R7 PolarHBondContact O-N 3.1Å; D4-R7 PolarHBondContact O-N 3Å; L5-R7 PolarHBondContact O-N 3.38Å; R7-Y10 PolarHBondContact O-N 3.2Å; R7-K11 WeakPolarHBondContact O-CG 3.48Å; R7-K11 PolarHBondContact O-N 3.31Å; R7-K11 VanDerWaalsContact O-N 3.13Å |
| 8 | Y | 95.2 | Very high | 92.8 | Very high | 88 Ų | 88 | 90.1 Ų | 90.1 | 35% | 0.345 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.2 | -51.9 | 176.2 | 172.8 | -96.7 | 0 | 0 | 0 | 111.4 | D4 L5 Y10 K11 Q12 L110 L113 | D4-Y8 WeakPolarHBondContact O-CB 3.18Å; D4-Y8 PolarHBondContact O-N 3.01Å; L5-Y8 HydrophobicContact CD1-CD1 4.39Å; L5-Y8 PolarHBondContact O-N 2.78Å; Y8-Y10 VanDerWaalsContact C-N 3.26Å; Y8-Y10 PolarHBondContact O-N 3.3Å; Y8-K11 WeakPolarHBondContact O-CB 3.29Å; Y8-K11 PolarHBondContact O-N 3.31Å; Y8-Q12 HydrophobicContact CD1-CG 4.31Å; Y8-Q12 HydrophobicContact CE1-CG 3.88Å; Y8-Q12 HydrophobicContact CE2-CG 4.48Å; Y8-Q12 WeakPolarHBondContact O-CG 3.14Å; Y8-Q12 PolarHBondContact O-N 3.47Å; Y8-Q12 VanDerWaalsContact O-N 3.08Å; Y8-Q12 PolarHBondContact OH-NE2 3.02Å; Y8-L110 HydrophobicContact CE1-CD2 3.81Å; Y8-L113 HydrophobicContact CD1-CD1 4.21Å; Y8-L113 HydrophobicContact CE1-CD1 3.47Å; Y8-L113 VanDerWaalsContact CE1-CD1 3.47Å |
| 9 | L | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.8 | -36.3 | 178.2 | -67.6 | 177.6 | 0 | 0 | 0 | 112 | L5 K6 K11 Q12 L13 V22 I33 V35 L110 | L5-L9 HydrophobicContact CD1-CD1 4.44Å; L5-L9 HydrophobicContact CD1-CG 4.21Å; L5-L9 HydrophobicContact CG-CD1 4.14Å; L5-L9 HydrophobicContact CG-CG 4.33Å; L5-L9 WeakPolarHBondContact O-CB 3.35Å; L5-L9 VanDerWaalsContact O-CG 3.3Å; L5-L9 WeakPolarHBondContact O-CG 3.47Å; L5-L9 PolarHBondContact O-N 2.92Å; K6-L9 PolarHBondContact O-N 3.33Å; L9-K11 VanDerWaalsContact C-N 3.34Å; L9-K11 PolarHBondContact O-N 2.8Å; L9-Q12 WeakPolarHBondContact O-CB 3.49Å; L9-Q12 PolarHBondContact O-N 3.36Å; L9-Q12 VanDerWaalsContact O-N 3.16Å; L9-L13 PolarHBondContact O-N 3.18Å; L9-V22 HydrophobicContact CD2-CG1 4.48Å; L9-I33 HydrophobicContact CD1-CD1 3.76Å; L9-I33 HydrophobicContact CD1-CG1 4.07Å; L9-I33 HydrophobicContact CD1-CG2 4.07Å; L9-V35 HydrophobicContact CB-CG1 4.08Å; L9-V35 HydrophobicContact CB-CG2 3.73Å; L9-L110 HydrophobicContact CD2-CD1 4.11Å; L9-L110 HydrophobicContact CD2-CD2 3.71Å; L9-L110 HydrophobicContact CD2-CG 4.48Å |
| 10 | Y | 96.9 | Very high | 93.4 | Very high | 122 Ų | 122 | 82.5 Ų | 82.5 | 48% | 0.478 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.3 | -39.9 | 175.3 | -166.7 | -89 | 0 | 0 | 0 | 111.9 | K6 R7 Y8 Q12 L13 V35 | K6-Y10 WeakPolarHBondContact O-CB 3.32Å; K6-Y10 PolarHBondContact O-N 3.17Å; R7-Y10 PolarHBondContact O-N 3.2Å; Y8-Y10 VanDerWaalsContact C-N 3.26Å; Y8-Y10 PolarHBondContact O-N 3.3Å; Y10-Q12 VanDerWaalsContact C-N 3.29Å; Y10-Q12 PolarHBondContact O-N 2.83Å; Y10-L13 HydrophobicContact CD2-CD1 3.97Å; Y10-L13 HydrophobicContact CE2-CD1 4.11Å; Y10-L13 HydrophobicContact CG-CD1 4.42Å; Y10-L13 WeakPolarHBondContact O-CB 3.35Å; Y10-L13 WeakPolarHBondContact O-CG 3.3Å; Y10-L13 PolarHBondContact O-N 3.35Å; Y10-V35 HydrophobicContact CD2-CB 4.2Å |
| 11 | K | 96.8 | Very high | 93.6 | Very high | 150 Ų | 150 | 78.5 Ų | 78.5 | 65% | 0.652 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.1 | -34.7 | 173.2 | -70 | 177.4 | 179.7 | -175.8 | 0 | 112 | R7 Y8 L9 L13 Q14 | R7-K11 WeakPolarHBondContact O-CG 3.48Å; R7-K11 PolarHBondContact O-N 3.31Å; R7-K11 VanDerWaalsContact O-N 3.13Å; Y8-K11 WeakPolarHBondContact O-CB 3.29Å; Y8-K11 PolarHBondContact O-N 3.31Å; L9-K11 VanDerWaalsContact C-N 3.34Å; L9-K11 PolarHBondContact O-N 2.8Å; K11-L13 PolarHBondContact O-N 3.13Å; K11-Q14 PolarHBondContact O-N 2.88Å; K11-Q14 VanDerWaalsContact O-N 3.11Å |
| 12 | Q | 95.8 | Very high | 95 | Very high | 34 Ų | 34 | 69.8 Ų | 69.8 | 16% | 0.159 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.4 | -14.1 | 176.7 | -64.5 | -60 | -23.3 | 0 | 0 | 113.6 | Y8 L9 Y10 Q14 S15 L106 L110 | Y8-Q12 HydrophobicContact CD1-CG 4.31Å; Y8-Q12 HydrophobicContact CE1-CG 3.88Å; Y8-Q12 HydrophobicContact CE2-CG 4.48Å; Y8-Q12 WeakPolarHBondContact O-CG 3.14Å; Y8-Q12 PolarHBondContact O-N 3.47Å; Y8-Q12 VanDerWaalsContact O-N 3.08Å; Y8-Q12 PolarHBondContact OH-NE2 3.02Å; L9-Q12 WeakPolarHBondContact O-CB 3.49Å; L9-Q12 PolarHBondContact O-N 3.36Å; L9-Q12 VanDerWaalsContact O-N 3.16Å; Y10-Q12 VanDerWaalsContact C-N 3.29Å; Y10-Q12 PolarHBondContact O-N 2.83Å; Q12-Q14 PolarHBondContact O-N 2.96Å; Q12-Q14 VanDerWaalsContact O-N 3.13Å; Q12-S15 PolarHBondContact O-N 3.45Å; Q12-S15 VanDerWaalsContact O-N 3.12Å; Q12-S15 PolarHBondContact O-OG 3.21Å; Q12-S15 PolarHBondContact OE1-OG 3.18Å; Q12-L106 HydrophobicContact CB-CD1 4.45Å; Q12-L110 HydrophobicContact CG-CD2 4.25Å |
| 13 | L | 97.5 | Very high | 95.9 | Very high | 11 Ų | 11 | 66.2 Ų | 66.2 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.7 | 170.4 | -61.2 | 179.1 | 0 | 0 | 0 | 112.7 | L9 Y10 K11 L19 V22 V35 N37 | L9-L13 PolarHBondContact O-N 3.18Å; Y10-L13 HydrophobicContact CD2-CD1 3.97Å; Y10-L13 HydrophobicContact CE2-CD1 4.11Å; Y10-L13 HydrophobicContact CG-CD1 4.42Å; Y10-L13 WeakPolarHBondContact O-CB 3.35Å; Y10-L13 WeakPolarHBondContact O-CG 3.3Å; Y10-L13 PolarHBondContact O-N 3.35Å; K11-L13 PolarHBondContact O-N 3.13Å; L13-L19 HydrophobicContact CD2-CD2 4.21Å; L13-L19 HydrophobicContact CD2-CG 3.99Å; L13-V22 HydrophobicContact CD2-CG2 3.87Å; L13-V35 HydrophobicContact CD2-CG2 4.41Å; L13-N37 HydrophobicContact CD1-CB 4.35Å |
| 14 | Q | 96.4 | Very high | 96.4 | Very high | 175 Ų | 175 | 60.9 Ų | 60.9 | 82% | 0.818 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -8.7 | 178.6 | -61.1 | -178.6 | -21.6 | 0 | 0 | 113.6 | K11 Q12 V16 | K11-Q14 PolarHBondContact O-N 2.88Å; K11-Q14 VanDerWaalsContact O-N 3.11Å; Q12-Q14 PolarHBondContact O-N 2.96Å; Q12-Q14 VanDerWaalsContact O-N 3.13Å; Q14-V16 VanDerWaalsContact C-N 3.3Å |
| 15 | S | 96.4 | Very high | 96.6 | Very high | 60 Ų | 60 | 56.5 Ų | 56.5 | 42% | 0.42 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -20.8 | -178.7 | 65.6 | 0 | 0 | 0 | 0 | 112.9 | Q12 | Q12-S15 PolarHBondContact O-N 3.45Å; Q12-S15 VanDerWaalsContact O-N 3.12Å; Q12-S15 PolarHBondContact O-OG 3.21Å; Q12-S15 PolarHBondContact OE1-OG 3.18Å |
| 16 | V | 97.6 | Very high | 96.8 | Very high | 5 Ų | 5 | 56.8 Ų | 56.8 | 3% | 0.03 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -127 | 120.1 | 174.5 | -176.5 | 0 | 0 | 0 | 0 | 109.1 | Q14 G18 L19 L102 I103 L106 | Q14-V16 VanDerWaalsContact C-N 3.3Å; V16-G18 PolarHBondContact O-N 2.95Å; V16-L19 HydrophobicContact CB-CB 4.09Å; V16-L19 HydrophobicContact CB-CD2 4.46Å; V16-L19 WeakPolarHBondContact O-CB 3.32Å; V16-L19 PolarHBondContact O-N 3.2Å; V16-L102 HydrophobicContact CG1-CB 4.07Å; V16-L102 HydrophobicContact CG2-CB 3.93Å; V16-I103 HydrophobicContact CG1-CG1 3.9Å; V16-L106 HydrophobicContact CG2-CB 4.45Å; V16-L106 HydrophobicContact CG2-CD2 4.17Å |
| 17 | E | 98 | Very high | 96.8 | Very high | 181 Ų | 181 | 57.7 Ų | 57.7 | 85% | 0.846 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 128.6 | 175.9 | -171.8 | -179.2 | 175.1 | 0 | 0 | 110.6 | A98 | E17-A98 WeakPolarHBondContact O-CB 3.48Š|
| 18 | G | 97.9 | Very high | 96.7 | Very high | 24 Ų | 24 | 55.1 Ų | 55.1 | 25% | 0.247 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 4.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V16 H20 A94 S95 | V16-G18 PolarHBondContact O-N 2.95Å; G18-H20 PolarHBondContact O-CE1 3.01Å; G18-H20 PolarHBondContact O-ND1 2.99Å; G18-H20 PolarHBondContact O-NE2 2.81Å; G18-A94 CarbonylContact O-C 2.9Å; G18-A94 WeakPolarHBondContact O-CA 3.34Å; G18-A94 VanDerWaalsContact O-CB 3.29Å; G18-A94 WeakPolarHBondContact O-CB 3.27Å; G18-S95 PolarHBondContact O-N 3.4Å |
| 19 | L | 98.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 129.4 | 170 | -175.6 | 63.3 | 0 | 0 | 0 | 110.4 | L13 V16 V22 N37 L92 A94 L106 | L13-L19 HydrophobicContact CD2-CD2 4.21Å; L13-L19 HydrophobicContact CD2-CG 3.99Å; V16-L19 HydrophobicContact CB-CB 4.09Å; V16-L19 HydrophobicContact CB-CD2 4.46Å; V16-L19 WeakPolarHBondContact O-CB 3.32Å; V16-L19 PolarHBondContact O-N 3.2Å; L19-V22 HydrophobicContact CD2-CG2 4.38Å; L19-N37 PolarHBondContact O-ND2 2.87Å; L19-L92 HydrophobicContact CD1-CB 4.16Å; L19-L92 HydrophobicContact CD1-CD2 4.37Å; L19-A94 HydrophobicContact CD1-CB 4.18Å; L19-L106 HydrophobicContact CD2-CD2 3.56Å |
| 20 | H | 98.4 | Very high | 96.7 | Very high | 25 Ų | 25 | 54.6 Ų | 54.6 | 12% | 0.116 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | -34.6 | -172.9 | -58.7 | -33.1 | 0 | 0 | 0 | 113 | G18 A36 N37 A40 I93 S95 | G18-H20 PolarHBondContact O-CE1 3.01Å; G18-H20 PolarHBondContact O-ND1 2.99Å; G18-H20 PolarHBondContact O-NE2 2.81Å; H20-A36 CarbonylContact O-C 3.49Å; H20-A36 VanDerWaalsContact O-CA 3.27Å; H20-A36 WeakPolarHBondContact O-CA 3.35Å; H20-N37 WeakPolarHBondContact CA-OD1 3.49Å; H20-N37 PolarHBondContact O-N 3.26Å; H20-N37 PolarHBondContact O-OD1 3.45Å; H20-A40 HydrophobicContact CB-CB 3.92Å; H20-I93 WeakPolarHBondContact CA-O 3.21Å; H20-I93 WeakPolarHBondContact CB-O 3.42Å; H20-I93 PolarHBondContact N-O 3.28Å; H20-S95 PolarHBondContact CD2-N 3.28Å; H20-S95 PolarHBondContact NE2-N 2.79Å |
| 21 | A | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 149.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | V23 V35 A36 A40 L45 I93 | A21-V23 HydrophobicContact CB-CG2 4.28Å; A21-V35 CarbonylContact C-O 3.42Å; A21-V35 WeakPolarHBondContact CA-O 3.38Å; A21-V35 VanDerWaalsContact CB-O 3.32Å; A21-V35 WeakPolarHBondContact CB-O 3.33Å; A21-A36 HydrophobicContact CB-CB 3.8Å; A21-A40 HydrophobicContact CB-CB 4.18Å; A21-L45 HydrophobicContact CB-CD2 3.67Å; A21-I93 HydrophobicContact CB-CB 4.23Å; A21-I93 HydrophobicContact CB-CD1 4.32Å; A21-I93 PolarHBondContact N-O 3.13Å; A21-I93 PolarHBondContact O-N 3.36Å |
| 22 | V | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 120.9 | 163.7 | -174.8 | 0 | 0 | 0 | 0 | 107.3 | L9 L13 L19 V35 L92 L110 | L9-V22 HydrophobicContact CD2-CG1 4.48Å; L13-V22 HydrophobicContact CD2-CG2 3.87Å; L19-V22 HydrophobicContact CD2-CG2 4.38Å; V22-V35 HydrophobicContact CB-CG2 3.69Å; V22-V35 HydrophobicContact CG2-CG2 4.15Å; V22-V35 PolarHBondContact N-O 3.12Å; V22-V35 PolarHBondContact O-N 3.17Å; V22-L92 HydrophobicContact CB-CD2 3.93Å; V22-L92 HydrophobicContact CG1-CD2 3.71Å; V22-L92 HydrophobicContact CG2-CD2 3.48Å; V22-L92 VanDerWaalsContact CG2-CD2 3.48Å; V22-L110 HydrophobicContact CG1-CD1 4.33Å |
| 23 | V | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125.8 | -179.7 | -161.6 | 0 | 0 | 0 | 0 | 108.9 | A21 T25 K34 L45 L50 S91 I93 | A21-V23 HydrophobicContact CB-CG2 4.28Å; V23-T25 HydrophobicContact CG1-CG2 3.73Å; V23-K34 HydrophobicContact CG1-CB 4.22Å; V23-K34 HydrophobicContact CG1-CD 4.33Å; V23-K34 HydrophobicContact CG1-CG 4.12Å; V23-K34 HydrophobicContact CG2-CG 4.14Å; V23-L45 HydrophobicContact CG2-CD2 3.68Å; V23-L50 HydrophobicContact CB-CD1 4.46Å; V23-L50 HydrophobicContact CG1-CD1 3.85Å; V23-S91 PolarHBondContact N-O 3.35Å; V23-S91 PolarHBondContact O-N 2.84Å; V23-I93 HydrophobicContact CG2-CD1 4.39Å |
| 24 | V | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 122.5 | 170.3 | -176.1 | 0 | 0 | 0 | 0 | 107.3 | V32 I33 L88 V89 I114 | V24-V32 PolarHBondContact O-N 2.96Å; V24-I33 HydrophobicContact CB-CG2 3.59Å; V24-I33 HydrophobicContact CG2-CG2 3.59Å; V24-I33 PolarHBondContact N-O 3.09Å; V24-I33 PolarHBondContact O-N 2.82Å; V24-L88 HydrophobicContact CG1-CB 4.28Å; V24-L88 HydrophobicContact CG1-CD1 4.18Å; V24-L88 HydrophobicContact CG1-CD2 4.14Å; V24-L88 HydrophobicContact CG1-CG 4.44Å; V24-V89 WeakPolarHBondContact CA-O 3.33Å; V24-I114 HydrophobicContact CG1-CG2 3.84Å; V24-I114 HydrophobicContact CG2-CD1 3.8Å; V24-I114 HydrophobicContact CG2-CG1 4.14Å; V24-I114 HydrophobicContact CG2-CG2 4.12Å |
| 25 | T | 96.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 168.1 | -179.5 | 67.1 | 0 | 0 | 0 | 0 | 111.2 | V23 V30 L50 L88 V89 | V23-T25 HydrophobicContact CG1-CG2 3.73Å; T25-V30 WeakPolarHBondContact CA-O 3.4Å; T25-V30 VanDerWaalsContact CB-O 3.29Å; T25-V30 WeakPolarHBondContact CB-O 3.37Å; T25-L50 HydrophobicContact CG2-CB 4.48Å; T25-L50 HydrophobicContact CG2-CD1 3.69Å; T25-L88 CarbonylContact O-C 3.49Å; T25-L88 WeakPolarHBondContact O-CA 3.39Å; T25-V89 PolarHBondContact N-O 3.1Å; T25-V89 PolarHBondContact O-N 3.18Å |
| 26 | D | 94.6 | Very high | 96.4 | Very high | 33 Ų | 33 | 40.4 Ų | 40.4 | 18% | 0.176 | 21% | 0.214 | C | C | . | . | trans | -74.7 | -169.1 | 155.8 | 66.7 | 12.7 | 0 | 0 | 0 | 111.3 | D28 G29 V30 V121 | D26-D28 VanDerWaalsContact C-N 3.31Å; D26-D28 PolarHBondContact O-N 3.28Å; D26-D28 WeakPolarHBondContact OD1-CA 3.42Å; D26-D28 PolarHBondContact OD1-N 3.45Å; D26-G29 PolarHBondContact O-N 2.78Å; D26-G29 PolarHBondContact OD1-N 2.97Å; D26-V30 PolarHBondContact N-O 2.93Å; D26-V30 VanDerWaalsContact N-O 3.13Å; D26-V30 PolarHBondContact OD1-N 3.07Å; D26-V30 WeakPolarHBondContact OD2-CB 3.23Å; D26-V121 HydrophobicContact CB-CG1 3.91Å | ||
| 27 | R | 93.6 | Very high | 96.4 | Very high | 124 Ų | 124 | 41.9 Ų | 41.9 | 47% | 0.468 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -27.5 | 178.1 | -65.7 | -175.2 | -177.8 | -174.9 | 0.6 | 113.9 | G29 A54 L86 | R27-G29 PolarHBondContact O-N 2.88Å; R27-A54 HydrophobicContact CB-CB 4.19Å; R27-A54 WeakPolarHBondContact O-CB 3.44Å; R27-L86 HydrophobicContact CG-CD2 3.55Å |
| 28 | D | 93.8 | Very high | 96.3 | Very high | 119 Ų | 119 | 41.4 Ų | 41.4 | 64% | 0.636 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 1.5 | -178.4 | -63.2 | -38.4 | 0 | 0 | 0 | 111.9 | D26 V30 | D26-D28 VanDerWaalsContact C-N 3.31Å; D26-D28 PolarHBondContact O-N 3.28Å; D26-D28 WeakPolarHBondContact OD1-CA 3.42Å; D26-D28 PolarHBondContact OD1-N 3.45Å; D28-V30 VanDerWaalsContact C-N 3.31Å; D28-V30 HydrophobicContact CB-CG2 4.29Å |
| 29 | G | 94.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | 80.2 | 12.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D26 R27 P47 | D26-G29 PolarHBondContact O-N 2.78Å; D26-G29 PolarHBondContact OD1-N 2.97Å; R27-G29 PolarHBondContact O-N 2.88Å; G29-P47 WeakPolarHBondContact O-CA 3.47Å; G29-P47 WeakPolarHBondContact O-CB 3.45Å | ||
| 30 | V | 95.6 | Very high | 96.2 | Very high | 78 Ų | 78 | 46.2 Ų | 46.2 | 47% | 0.473 | 25% | 0.246 | S | C | . | . | trans | -72.2 | 123.1 | 176.3 | -174.6 | 0 | 0 | 0 | 0 | 108.5 | T25 D26 D28 V32 | T25-V30 WeakPolarHBondContact CA-O 3.4Å; T25-V30 VanDerWaalsContact CB-O 3.29Å; T25-V30 WeakPolarHBondContact CB-O 3.37Å; D26-V30 PolarHBondContact N-O 2.93Å; D26-V30 VanDerWaalsContact N-O 3.13Å; D26-V30 PolarHBondContact OD1-N 3.07Å; D26-V30 WeakPolarHBondContact OD2-CB 3.23Å; D28-V30 VanDerWaalsContact C-N 3.31Å; D28-V30 HydrophobicContact CB-CG2 4.29Å; V30-V32 PolarHBondContact O-N 2.94Å | ||
| 31 | P | 94 | Very high | 96.1 | Very high | 61 Ų | 61 | 46.2 Ų | 46.2 | 40% | 0.396 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 122 | -173.8 | 28.6 | -33.8 | 0 | 0 | 0 | 112 | K34 | P31-K34 HydrophobicContact CB-CB 4.39Å |
| 32 | V | 94 | Very high | 96 | Very high | 47 Ų | 47 | 51 Ų | 51 | 29% | 0.285 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | -46.8 | 166 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | V24 V30 L88 L117 V120 V121 | V24-V32 PolarHBondContact O-N 2.96Å; V30-V32 PolarHBondContact O-N 2.94Å; V32-L88 HydrophobicContact CG2-CD2 4.04Å; V32-L117 HydrophobicContact CG1-CB 4.4Å; V32-L117 HydrophobicContact CG1-CD1 4.36Å; V32-V120 HydrophobicContact CG1-CB 4.46Å; V32-V120 HydrophobicContact CG1-CG1 4.3Å; V32-V121 HydrophobicContact CG2-CG2 3.54Å |
| 33 | I | 94.8 | Very high | 95.9 | Very high | 18 Ų | 18 | 55.2 Ų | 55.2 | 9% | 0.092 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 141.2 | 172.1 | -171.2 | 159.3 | 0 | 0 | 0 | 110.2 | L5 K6 L9 V24 L117 | L5-I33 HydrophobicContact CB-CD1 4.13Å; L5-I33 HydrophobicContact CD2-CD1 3.91Å; L5-I33 HydrophobicContact CG-CD1 3.81Å; K6-I33 HydrophobicContact CB-CD1 4.03Å; L9-I33 HydrophobicContact CD1-CD1 3.76Å; L9-I33 HydrophobicContact CD1-CG1 4.07Å; L9-I33 HydrophobicContact CD1-CG2 4.07Å; V24-I33 HydrophobicContact CB-CG2 3.59Å; V24-I33 HydrophobicContact CG2-CG2 3.59Å; V24-I33 PolarHBondContact N-O 3.09Å; V24-I33 PolarHBondContact O-N 2.82Å; I33-L117 HydrophobicContact CG2-CD1 3.83Å |
| 34 | K | 96 | Very high | 95.9 | Very high | 89 Ų | 89 | 55.1 Ų | 55.1 | 39% | 0.387 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 127.2 | -179.2 | -177.4 | 173.7 | 67.4 | -179.6 | 0 | 110.1 | K6 V23 P31 L45 | K6-K34 WeakPolarHBondContact CE-O 3.49Å; V23-K34 HydrophobicContact CG1-CB 4.22Å; V23-K34 HydrophobicContact CG1-CD 4.33Å; V23-K34 HydrophobicContact CG1-CG 4.12Å; V23-K34 HydrophobicContact CG2-CG 4.14Å; P31-K34 HydrophobicContact CB-CB 4.39Å; K34-L45 HydrophobicContact CD-CB 4.48Å |
| 35 | V | 97.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.03 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.8 | 166.8 | -65.3 | 0 | 0 | 0 | 0 | 108.9 | K6 L9 Y10 L13 A21 V22 | K6-V35 HydrophobicContact CB-CG1 4.47Å; K6-V35 HydrophobicContact CG-CG1 3.53Å; K6-V35 WeakPolarHBondContact O-CG1 3.47Å; L9-V35 HydrophobicContact CB-CG1 4.08Å; L9-V35 HydrophobicContact CB-CG2 3.73Å; Y10-V35 HydrophobicContact CD2-CB 4.2Å; L13-V35 HydrophobicContact CD2-CG2 4.41Å; A21-V35 CarbonylContact C-O 3.42Å; A21-V35 WeakPolarHBondContact CA-O 3.38Å; A21-V35 VanDerWaalsContact CB-O 3.32Å; A21-V35 WeakPolarHBondContact CB-O 3.33Å; V22-V35 HydrophobicContact CB-CG2 3.69Å; V22-V35 HydrophobicContact CG2-CG2 4.15Å; V22-V35 PolarHBondContact N-O 3.12Å; V22-V35 PolarHBondContact O-N 3.17Å |
| 36 | A | 98.1 | Very high | 96 | Very high | 34 Ų | 34 | 63.5 Ų | 63.5 | 28% | 0.281 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 144.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109 | H20 A21 A40 L45 | H20-A36 CarbonylContact O-C 3.49Å; H20-A36 VanDerWaalsContact O-CA 3.27Å; H20-A36 WeakPolarHBondContact O-CA 3.35Å; A21-A36 HydrophobicContact CB-CB 3.8Å; A36-A40 HydrophobicContact CB-CB 3.84Å; A36-L45 HydrophobicContact CB-CD1 3.95Å |
| 37 | N | 97.5 | Very high | 96.1 | Very high | 36 Ų | 36 | 64.9 Ų | 64.9 | 19% | 0.193 | 34% | 0.341 | C | S | . | . | trans | -94 | 176.4 | 165.7 | 62.2 | 34.2 | 0 | 0 | 0 | 110.6 | L13 L19 H20 N39 A40 | L13-N37 HydrophobicContact CD1-CB 4.35Å; L19-N37 PolarHBondContact O-ND2 2.87Å; H20-N37 WeakPolarHBondContact CA-OD1 3.49Å; H20-N37 PolarHBondContact O-N 3.26Å; H20-N37 PolarHBondContact O-OD1 3.45Å; N37-N39 PolarHBondContact O-N 2.74Å; N37-N39 VanDerWaalsContact O-N 3.12Å; N37-N39 WeakPolarHBondContact OD1-CB 3.5Å; N37-N39 PolarHBondContact OD1-N 3.13Å; N37-A40 WeakPolarHBondContact O-CB 3.31Å; N37-A40 PolarHBondContact O-N 3.25Å; N37-A40 VanDerWaalsContact O-N 3.09Å | ||
| 38 | D | 96.8 | Very high | 96.2 | Very high | 170 Ų | 170 | 61.8 Ų | 61.8 | 91% | 0.909 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.3 | -174.2 | -58.2 | -33.8 | 0 | 0 | 0 | 113.9 | A40 | D38-A40 VanDerWaalsContact C-N 3.32Š|
| 39 | N | 96.9 | Very high | 96.4 | Very high | 118 Ų | 118 | 58.1 Ų | 58.1 | 63% | 0.631 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7 | 178.3 | -60.9 | -43.9 | 0 | 0 | 0 | 112.8 | N37 | N37-N39 PolarHBondContact O-N 2.74Å; N37-N39 VanDerWaalsContact O-N 3.12Å; N37-N39 WeakPolarHBondContact OD1-CB 3.5Å; N37-N39 PolarHBondContact OD1-N 3.13Å |
| 40 | A | 97.2 | Very high | 96.6 | Very high | 10 Ų | 10 | 58.3 Ų | 58.3 | 8% | 0.083 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -70.1 | 126.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H20 A21 A36 N37 D38 V42 L45 | H20-A40 HydrophobicContact CB-CB 3.92Å; A21-A40 HydrophobicContact CB-CB 4.18Å; A36-A40 HydrophobicContact CB-CB 3.84Å; N37-A40 WeakPolarHBondContact O-CB 3.31Å; N37-A40 PolarHBondContact O-N 3.25Å; N37-A40 VanDerWaalsContact O-N 3.09Å; D38-A40 VanDerWaalsContact C-N 3.32Å; A40-V42 PolarHBondContact O-N 3.33Å; A40-V42 VanDerWaalsContact O-N 3.1Å; A40-L45 HydrophobicContact CB-CD1 4.09Å |
| 41 | P | 96.3 | Very high | 96.7 | Very high | 25 Ų | 25 | 56.4 Ų | 56.4 | 16% | 0.162 | 32% | 0.317 | C | S | . | . | trans | -64 | 115.4 | 176.4 | 20.3 | -27.6 | 0 | 0 | 0 | 111 | H43 A44 Y78 I93 | P41-H43 VanDerWaalsContact C-N 3.25Å; P41-H43 PolarHBondContact O-N 3.48Å; P41-A44 HydrophobicContact CB-CB 4.31Å; P41-A44 HydrophobicContact CG-CB 3.93Å; P41-A44 WeakPolarHBondContact O-CB 3.47Å; P41-A44 PolarHBondContact O-N 3.46Å; P41-Y78 HydrophobicContact CG-CD1 4.25Å; P41-Y78 HydrophobicContact CG-CD2 4.17Å; P41-Y78 HydrophobicContact CG-CG 3.97Å; P41-I93 HydrophobicContact CG-CG2 3.89Å | ||
| 42 | V | 95.4 | Very high | 96.8 | Very high | 101 Ų | 101 | 57.3 Ų | 57.3 | 61% | 0.612 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -58 | -35.7 | -172.2 | 178.1 | 0 | 0 | 0 | 0 | 112.7 | A40 A44 L45 | A40-V42 PolarHBondContact O-N 3.33Å; A40-V42 VanDerWaalsContact O-N 3.1Å; V42-A44 VanDerWaalsContact C-N 3.31Å; V42-A44 PolarHBondContact O-N 2.88Å; V42-L45 PolarHBondContact O-N 2.92Å |
| 43 | H | 96.1 | Very high | 97 | Very high | 89 Ų | 89 | 55.1 Ų | 55.1 | 41% | 0.412 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -66.8 | -32.6 | 179 | 66.3 | -79.8 | 0 | 0 | 0 | 112.6 | P41 L45 R46 F49 Y78 | P41-H43 VanDerWaalsContact C-N 3.25Å; P41-H43 PolarHBondContact O-N 3.48Å; H43-L45 PolarHBondContact O-N 2.97Å; H43-R46 WeakPolarHBondContact O-CB 3.47Å; H43-R46 PolarHBondContact O-N 3.31Å; H43-F49 WeakPolarHBondContact O-CB 3.28Å; H43-Y78 AromaticContact CE1-CE1 3.97Å; H43-Y78 AromaticContact NE2-CE1 3.62Å; H43-Y78 AromaticContact NE2-CZ 3.51Å; H43-Y78 PolarHBondContact NE2-OH 2.86Å |
| 44 | A | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -72.7 | -14.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | P41 V42 F49 L50 Y78 I93 | P41-A44 HydrophobicContact CB-CB 4.31Å; P41-A44 HydrophobicContact CG-CB 3.93Å; P41-A44 WeakPolarHBondContact O-CB 3.47Å; P41-A44 PolarHBondContact O-N 3.46Å; V42-A44 VanDerWaalsContact C-N 3.31Å; V42-A44 PolarHBondContact O-N 2.88Å; A44-F49 HydrophobicContact CB-CD1 4.08Å; A44-F49 HydrophobicContact CB-CE1 3.95Å; A44-F49 WeakPolarHBondContact O-CD1 3.39Å; A44-L50 WeakPolarHBondContact O-CD2 3.44Å; A44-Y78 HydrophobicContact CB-CE2 4.15Å; A44-I93 HydrophobicContact CB-CD1 3.88Å; A44-I93 HydrophobicContact CB-CG2 4.48Å |
| 45 | L | 97.6 | Very high | 97 | Very high | 25 Ų | 25 | 57 Ų | 57 | 13% | 0.131 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -91.1 | -2.3 | 176.7 | -58.4 | 176.1 | 0 | 0 | 0 | 113.4 | A21 V23 K34 A36 A40 V42 H43 I93 | A21-L45 HydrophobicContact CB-CD2 3.67Å; V23-L45 HydrophobicContact CG2-CD2 3.68Å; K34-L45 HydrophobicContact CD-CB 4.48Å; A36-L45 HydrophobicContact CB-CD1 3.95Å; A40-L45 HydrophobicContact CB-CD1 4.09Å; V42-L45 PolarHBondContact O-N 2.92Å; H43-L45 PolarHBondContact O-N 2.97Å; L45-I93 HydrophobicContact CD2-CD1 3.59Å; L45-I93 HydrophobicContact CG-CD1 4.47Å |
| 46 | R | 97.4 | Very high | 97.1 | Very high | 152 Ų | 152 | 58.6 Ų | 58.6 | 57% | 0.574 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -81.9 | 141.3 | -176.5 | -64.3 | -178.7 | -178.5 | -178.3 | -0.1 | 110.4 | H43 G48 F49 L50 | H43-R46 WeakPolarHBondContact O-CB 3.47Å; H43-R46 PolarHBondContact O-N 3.31Å; R46-G48 VanDerWaalsContact C-N 3.27Å; R46-G48 PolarHBondContact O-N 3.39Å; R46-F49 PolarHBondContact O-N 3.16Å; R46-L50 PolarHBondContact O-N 3.49Å |
| 47 | P | 97.3 | Very high | 97 | Very high | 62 Ų | 62 | 57 Ų | 57 | 40% | 0.403 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -50.8 | -44.5 | 178.3 | -29.8 | 35.7 | 0 | 0 | 0 | 113.6 | G29 F49 L50 S51 | G29-P47 WeakPolarHBondContact O-CA 3.47Å; G29-P47 WeakPolarHBondContact O-CB 3.45Å; P47-F49 PolarHBondContact O-N 3.08Å; P47-L50 PolarHBondContact O-N 3.07Å; P47-L50 VanDerWaalsContact O-N 3.1Å; P47-S51 WeakPolarHBondContact O-CB 3.46Å; P47-S51 PolarHBondContact O-N 3.21Å; P47-S51 PolarHBondContact O-OG 3.11Å |
| 48 | G | 97.1 | Very high | 96.9 | Very high | 58 Ų | 58 | 59.1 Ų | 59.1 | 60% | 0.598 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.4 | -22.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | R46 S51 | R46-G48 VanDerWaalsContact C-N 3.27Å; R46-G48 PolarHBondContact O-N 3.39Å; G48-S51 PolarHBondContact O-OG 3.02Å |
| 49 | F | 97.8 | Very high | 97 | Very high | 43 Ų | 43 | 56.3 Ų | 56.3 | 19% | 0.189 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -80.2 | -47 | 170.9 | -176.4 | -99 | 0 | 0 | 0 | 110.6 | H43 A44 R46 P47 S51 T52 Y75 Y78 I80 | H43-F49 WeakPolarHBondContact O-CB 3.28Å; A44-F49 HydrophobicContact CB-CD1 4.08Å; A44-F49 HydrophobicContact CB-CE1 3.95Å; A44-F49 WeakPolarHBondContact O-CD1 3.39Å; R46-F49 PolarHBondContact O-N 3.16Å; P47-F49 PolarHBondContact O-N 3.08Å; F49-S51 PolarHBondContact O-N 3.48Å; F49-T52 VanDerWaalsContact O-CB 3.23Å; F49-T52 WeakPolarHBondContact O-CB 3.33Å; F49-T52 PolarHBondContact O-N 3.39Å; F49-T52 PolarHBondContact O-OG1 2.86Å; F49-Y75 HydrophobicContact CZ-CE2 4.11Å; F49-Y75 AromaticContact CZ-CZ 3.97Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.15Å; F49-Y78 HydrophobicContact CZ-CE2 4.33Å; F49-I80 HydrophobicContact CD1-CD1 4.39Å; F49-I80 HydrophobicContact CE1-CD1 3.74Å; F49-I80 HydrophobicContact CE1-CG2 4.41Å |
| 50 | L | 98 | Very high | 97 | Very high | 4 Ų | 4 | 51.6 Ų | 51.6 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.3 | -34.7 | -176.1 | -62.8 | 171.5 | 0 | 0 | 0 | 112.9 | V23 T25 A44 R46 P47 T52 F53 I80 | V23-L50 HydrophobicContact CB-CD1 4.46Å; V23-L50 HydrophobicContact CG1-CD1 3.85Å; T25-L50 HydrophobicContact CG2-CB 4.48Å; T25-L50 HydrophobicContact CG2-CD1 3.69Å; A44-L50 WeakPolarHBondContact O-CD2 3.44Å; R46-L50 PolarHBondContact O-N 3.49Å; P47-L50 PolarHBondContact O-N 3.07Å; P47-L50 VanDerWaalsContact O-N 3.1Å; L50-T52 PolarHBondContact O-N 2.77Å; L50-F53 PolarHBondContact O-N 2.88Å; L50-I80 HydrophobicContact CD2-CD1 4.15Å |
| 51 | S | 97.1 | Very high | 97.1 | Very high | 37 Ų | 37 | 53 Ų | 53 | 26% | 0.259 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21 | 178.1 | 67.9 | 0 | 0 | 0 | 0 | 113.5 | P47 G48 F49 F53 A54 | P47-S51 WeakPolarHBondContact O-CB 3.46Å; P47-S51 PolarHBondContact O-N 3.21Å; P47-S51 PolarHBondContact O-OG 3.11Å; G48-S51 PolarHBondContact O-OG 3.02Å; F49-S51 PolarHBondContact O-N 3.48Å; S51-F53 PolarHBondContact O-N 3.31Å; S51-F53 VanDerWaalsContact O-N 3.09Å; S51-A54 WeakPolarHBondContact O-CB 3.48Å; S51-A54 PolarHBondContact O-N 2.82Å |
| 52 | T | 97.5 | Very high | 97.2 | Very high | 80 Ų | 80 | 58.4 Ų | 58.4 | 49% | 0.491 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -54.1 | -32.6 | 175.6 | -48.7 | 0 | 0 | 0 | 0 | 111.8 | F49 L50 A54 L55 A56 | F49-T52 VanDerWaalsContact O-CB 3.23Å; F49-T52 WeakPolarHBondContact O-CB 3.33Å; F49-T52 PolarHBondContact O-N 3.39Å; F49-T52 PolarHBondContact O-OG1 2.86Å; L50-T52 PolarHBondContact O-N 2.77Å; T52-A54 VanDerWaalsContact C-N 3.31Å; T52-A54 PolarHBondContact O-N 3.12Å; T52-L55 PolarHBondContact O-N 3.24Å; T52-A56 WeakPolarHBondContact O-CB 3.41Å; T52-A56 PolarHBondContact O-N 3.2Å; T52-A56 VanDerWaalsContact O-N 3.1Å |
| 53 | F | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 59.8 Ų | 59.8 | 0% | 0.004 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.3 | -39 | 178.7 | -176.2 | -103.1 | 0 | 0 | 0 | 112.9 | L50 S51 L55 A56 T57 I71 Q82 N84 V89 | L50-F53 PolarHBondContact O-N 2.88Å; S51-F53 PolarHBondContact O-N 3.31Å; S51-F53 VanDerWaalsContact O-N 3.09Å; F53-L55 VanDerWaalsContact C-N 3.34Å; F53-L55 PolarHBondContact O-N 3.41Å; F53-A56 PolarHBondContact O-N 3.04Å; F53-A56 VanDerWaalsContact O-N 3.14Å; F53-T57 HydrophobicContact CD1-CG2 4.25Å; F53-T57 HydrophobicContact CE1-CG2 4.02Å; F53-T57 WeakPolarHBondContact O-CG2 3.48Å; F53-T57 PolarHBondContact O-N 2.85Å; F53-I71 HydrophobicContact CD2-CB 4.22Å; F53-I71 HydrophobicContact CD2-CD1 4.04Å; F53-I71 HydrophobicContact CD2-CG1 4.31Å; F53-I71 HydrophobicContact CE2-CB 3.9Å; F53-I71 HydrophobicContact CE2-CD1 3.91Å; F53-I71 HydrophobicContact CE2-CG1 3.8Å; F53-Q82 HydrophobicContact CB-CB 4.5Å; F53-Q82 HydrophobicContact CD2-CB 3.29Å; F53-Q82 HydrophobicContact CD2-CG 4.17Å; F53-Q82 HydrophobicContact CE2-CB 3.52Å; F53-Q82 HydrophobicContact CG-CB 3.9Å; F53-Q82 HydrophobicContact CZ-CB 4.29Å; F53-N84 HydrophobicContact CE1-CB 4.08Å; F53-N84 HydrophobicContact CZ-CB 3.97Å; F53-V89 HydrophobicContact CB-CG1 4.3Å; F53-V89 HydrophobicContact CD1-CB 4.25Å; F53-V89 HydrophobicContact CD1-CG1 3.41Å; F53-V89 VanDerWaalsContact CD1-CG1 3.41Å; F53-V89 HydrophobicContact CD1-CG2 3.76Å; F53-V89 HydrophobicContact CE1-CG1 3.9Å; F53-V89 HydrophobicContact CE1-CG2 4.2Å; F53-V89 HydrophobicContact CG-CG1 3.94Å |
| 54 | A | 95.4 | Very high | 97.3 | Very high | 20 Ų | 20 | 59 Ų | 59 | 17% | 0.165 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.1 | -45.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R27 S51 T52 T57 D58 | R27-A54 HydrophobicContact CB-CB 4.19Å; R27-A54 WeakPolarHBondContact O-CB 3.44Å; S51-A54 WeakPolarHBondContact O-CB 3.48Å; S51-A54 PolarHBondContact O-N 2.82Å; T52-A54 VanDerWaalsContact C-N 3.31Å; T52-A54 PolarHBondContact O-N 3.12Å; A54-T57 VanDerWaalsContact O-CG2 3.28Å; A54-T57 WeakPolarHBondContact O-CG2 3.29Å; A54-D58 PolarHBondContact O-N 3.12Å |
| 55 | L | 96.1 | Very high | 97.3 | Very high | 127 Ų | 127 | 66 Ų | 66 | 67% | 0.665 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -67.2 | -43.4 | 174.3 | -67.1 | 174.7 | 0 | 0 | 0 | 111.6 | T52 F53 D58 Q59 | T52-L55 PolarHBondContact O-N 3.24Å; F53-L55 VanDerWaalsContact C-N 3.34Å; F53-L55 PolarHBondContact O-N 3.41Å; L55-D58 PolarHBondContact O-N 2.87Å; L55-Q59 WeakPolarHBondContact O-CG 3.49Å; L55-Q59 PolarHBondContact O-N 3.09Å |
| 56 | A | 97.6 | Very high | 97.3 | Very high | 39 Ų | 39 | 69.4 Ų | 69.4 | 32% | 0.322 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65 | -40.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T52 F53 G60 I71 | T52-A56 WeakPolarHBondContact O-CB 3.41Å; T52-A56 PolarHBondContact O-N 3.2Å; T52-A56 VanDerWaalsContact O-N 3.1Å; F53-A56 PolarHBondContact O-N 3.04Å; F53-A56 VanDerWaalsContact O-N 3.14Å; A56-G60 PolarHBondContact O-N 3.18Å; A56-I71 HydrophobicContact CB-CD1 3.5Å |
| 57 | T | 97.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -68.1 | -37.4 | 177.1 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | F53 A54 G60 S61 N68 N84 | F53-T57 HydrophobicContact CD1-CG2 4.25Å; F53-T57 HydrophobicContact CE1-CG2 4.02Å; F53-T57 WeakPolarHBondContact O-CG2 3.48Å; F53-T57 PolarHBondContact O-N 2.85Å; A54-T57 VanDerWaalsContact O-CG2 3.28Å; A54-T57 WeakPolarHBondContact O-CG2 3.29Å; T57-G60 PolarHBondContact O-N 3.43Å; T57-S61 WeakPolarHBondContact O-CB 3.4Å; T57-S61 PolarHBondContact O-N 3.03Å; T57-S61 PolarHBondContact O-OG 2.9Å; T57-N68 PolarHBondContact OG1-OD1 3.14Å; T57-N84 PolarHBondContact OG1-ND2 3.3Å; T57-N84 VanDerWaalsContact OG1-ND2 3.09Å |
| 58 | D | 96 | Very high | 97.3 | Very high | 79 Ų | 79 | 68.9 Ų | 68.9 | 42% | 0.422 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 177.8 | -82.8 | 0.2 | 0 | 0 | 0 | 111.5 | A54 L55 K62 | A54-D58 PolarHBondContact O-N 3.12Å; L55-D58 PolarHBondContact O-N 2.87Å; D58-K62 WeakPolarHBondContact O-CE 3.46Å; D58-K62 WeakPolarHBondContact O-CG 3.46Å |
| 59 | Q | 97.9 | Very high | 97.4 | Very high | 111 Ų | 111 | 73.8 Ų | 73.8 | 52% | 0.519 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -73.1 | -40.5 | 175.5 | -60.8 | -55.8 | -29.8 | 0 | 0 | 111.8 | L55 S61 K62 | L55-Q59 WeakPolarHBondContact O-CG 3.49Å; L55-Q59 PolarHBondContact O-N 3.09Å; Q59-S61 PolarHBondContact O-N 3.38Å; Q59-K62 WeakPolarHBondContact O-CB 3.46Å; Q59-K62 PolarHBondContact O-N 3.1Å |
| 60 | G | 97.7 | Very high | 97.4 | Very high | 20 Ų | 20 | 73.3 Ų | 73.3 | 21% | 0.206 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.2 | -33.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A56 T57 K62 L63 | A56-G60 PolarHBondContact O-N 3.18Å; T57-G60 PolarHBondContact O-N 3.43Å; G60-K62 PolarHBondContact O-N 3.39Å; G60-L63 WeakPolarHBondContact O-CB 3.36Å; G60-L63 WeakPolarHBondContact O-CG 3.42Å; G60-L63 PolarHBondContact O-N 3.45Å |
| 61 | S | 97.8 | Very high | 97.4 | Very high | 38 Ų | 38 | 75 Ų | 75 | 27% | 0.266 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -13.1 | 176.5 | -57.6 | 0 | 0 | 0 | 0 | 113.8 | T57 Q59 S66 N68 | T57-S61 WeakPolarHBondContact O-CB 3.4Å; T57-S61 PolarHBondContact O-N 3.03Å; T57-S61 PolarHBondContact O-OG 2.9Å; Q59-S61 PolarHBondContact O-N 3.38Å; S61-S66 WeakPolarHBondContact CA-O 3.33Å; S61-N68 PolarHBondContact OG-N 2.94Å |
| 62 | K | 98.1 | Very high | 97.5 | Very high | 140 Ų | 140 | 76.2 Ų | 76.2 | 61% | 0.609 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 1.4 | 178.8 | -62.1 | 171.3 | -168.9 | 170.1 | 0 | 113.4 | D58 Q59 G60 G64 | D58-K62 WeakPolarHBondContact O-CE 3.46Å; D58-K62 WeakPolarHBondContact O-CG 3.46Å; Q59-K62 WeakPolarHBondContact O-CB 3.46Å; Q59-K62 PolarHBondContact O-N 3.1Å; G60-K62 PolarHBondContact O-N 3.39Å; K62-G64 PolarHBondContact O-N 3.49Å |
| 63 | L | 97.6 | Very high | 97.5 | Very high | 130 Ų | 130 | 74.4 Ų | 74.4 | 68% | 0.681 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -76.3 | 5.7 | 179.4 | -63 | 176.1 | 0 | 0 | 0 | 114.2 | G60 L65 | G60-L63 WeakPolarHBondContact O-CB 3.36Å; G60-L63 WeakPolarHBondContact O-CG 3.42Å; G60-L63 PolarHBondContact O-N 3.45Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 3.26Å |
| 64 | G | 97.6 | Very high | 97.5 | Very high | 72 Ų | 72 | 80.9 Ų | 80.9 | 74% | 0.742 | 44% | 0.44 | S | S | * | . | S | Bend | trans | 78.6 | 8.1 | -177 | 0 | 0 | 0 | 0 | 0 | 114.7 | K62 | K62-G64 PolarHBondContact O-N 3.49Š|
| 65 | L | 97.4 | Very high | 97.6 | Very high | 146 Ų | 146 | 84.5 Ų | 84.5 | 76% | 0.764 | 45% | 0.45 | S | S | * | . | S | Bend | trans | -104.2 | 25.6 | -176.7 | -57.8 | 178.2 | 0 | 0 | 0 | 113.3 | L63 | L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 3.26Å |
| 66 | S | 97.3 | Very high | 97.7 | Very high | 97 Ų | 97 | 86.4 Ų | 86.4 | 68% | 0.678 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 63.1 | -163 | -170 | -164.5 | 0 | 0 | 0 | 0 | 112.7 | S61 | S61-S66 WeakPolarHBondContact CA-O 3.33Š|
| 67 | K | 96.9 | Very high | 97.6 | Very high | 167 Ų | 167 | 88.7 Ų | 88.7 | 73% | 0.726 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -67.7 | 131.3 | -176.7 | -66.4 | -175.4 | 177.5 | -178.4 | 0 | 111.6 | K69 | K67-K69 PolarHBondContact O-N 3.2Š|
| 68 | N | 97.9 | Very high | 97.7 | Very high | 36 Ų | 36 | 89.4 Ų | 89.4 | 19% | 0.193 | 48% | 0.477 | C | S | . | . | trans | -64.1 | 131.1 | 170.7 | 176.9 | -92.3 | 0 | 0 | 0 | 110.3 | T57 S61 S70 N84 | T57-N68 PolarHBondContact OG1-OD1 3.14Å; S61-N68 PolarHBondContact OG-N 2.94Å; N68-S70 PolarHBondContact ND2-O 2.95Å; N68-S70 PolarHBondContact OD1-N 3.04Å; N68-S70 PolarHBondContact OD1-O 3.5Å; N68-N84 WeakPolarHBondContact O-CB 3.24Å; N68-N84 PolarHBondContact O-ND2 2.93Å | ||
| 69 | K | 97.3 | Very high | 97.8 | Very high | 161 Ų | 161 | 85.6 Ų | 85.6 | 70% | 0.7 | 46% | 0.457 | S | S | * | . | trans | -100.8 | -33.4 | -178.5 | -65.3 | -176.9 | -179.5 | 178.8 | 0 | 113 | K67 N84 | K67-K69 PolarHBondContact O-N 3.2Å; K69-N84 WeakPolarHBondContact O-CB 3.4Å; K69-N84 PolarHBondContact O-N 3.25Å | ||
| 70 | S | 98.1 | Very high | 97.8 | Very high | 34 Ų | 34 | 80.4 Ų | 80.4 | 24% | 0.238 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 161 | -178.8 | 55.9 | 0 | 0 | 0 | 0 | 110.9 | N68 Q82 | N68-S70 PolarHBondContact ND2-O 2.95Å; N68-S70 PolarHBondContact OD1-N 3.04Å; N68-S70 PolarHBondContact OD1-O 3.5Å; S70-Q82 CarbonylContact C-O 3.53Å; S70-Q82 WeakPolarHBondContact CA-O 3.34Å; S70-Q82 WeakPolarHBondContact CB-O 3.45Å |
| 71 | I | 98.5 | Very high | 97.9 | Very high | 40 Ų | 40 | 79.5 Ų | 79.5 | 21% | 0.205 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 136 | 173 | -61.5 | 176.9 | 0 | 0 | 0 | 107.7 | F53 A56 Q82 | F53-I71 HydrophobicContact CD2-CB 4.22Å; F53-I71 HydrophobicContact CD2-CD1 4.04Å; F53-I71 HydrophobicContact CD2-CG1 4.31Å; F53-I71 HydrophobicContact CE2-CB 3.9Å; F53-I71 HydrophobicContact CE2-CD1 3.91Å; F53-I71 HydrophobicContact CE2-CG1 3.8Å; A56-I71 HydrophobicContact CB-CD1 3.5Å; I71-Q82 PolarHBondContact N-O 3.36Å; I71-Q82 PolarHBondContact O-N 2.84Å |
| 72 | I | 98.6 | Very high | 97.9 | Very high | 61 Ų | 61 | 78.2 Ų | 78.2 | 31% | 0.313 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.4 | 176.4 | -59.9 | 161.4 | 0 | 0 | 0 | 107.3 | Y74 V81 T100 M104 | I72-Y74 HydrophobicContact CG2-CD2 4.1Å; I72-Y74 HydrophobicContact CG2-CE2 3.51Å; I72-V81 HydrophobicContact CG1-CB 4.49Å; I72-V81 HydrophobicContact CG1-CG1 3.87Å; I72-V81 HydrophobicContact CG1-CG2 4.18Å; I72-V81 HydrophobicContact CG2-CG2 4.27Å; I72-T100 HydrophobicContact CD1-CG2 3.89Å; I72-T100 HydrophobicContact CG1-CG2 4.35Å; I72-T100 HydrophobicContact CG2-CG2 4.02Å; I72-M104 HydrophobicContact CD1-SD 4.12Å |
| 73 | C | 98.4 | Very high | 97.9 | Very high | 42 Ų | 42 | 71.9 Ų | 71.9 | 28% | 0.284 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.6 | 176.9 | -62.5 | 0 | 0 | 0 | 0 | 109.8 | Y75 Q79 I80 | C73-Y75 HydrophobicContact CB-CE2 3.82Å; C73-Q79 VanDerWaalsContact O-CA 3.31Å; C73-Q79 WeakPolarHBondContact O-CA 3.38Å; C73-I80 HydrophobicContact CB-CG2 3.8Å; C73-I80 PolarHBondContact N-O 3.05Å; C73-I80 PolarHBondContact O-N 3.41Å |
| 74 | Y | 98.6 | Very high | 97.8 | Very high | 138 Ų | 138 | 67 Ų | 67 | 54% | 0.541 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 129 | 173.1 | -64.7 | -84.7 | 0 | 0 | 0 | 110.1 | I72 Q79 T100 | I72-Y74 HydrophobicContact CG2-CD2 4.1Å; I72-Y74 HydrophobicContact CG2-CE2 3.51Å; Y74-Q79 HydrophobicContact CD1-CB 3.79Å; Y74-Q79 HydrophobicContact CE1-CB 4.11Å; Y74-T100 WeakPolarHBondContact OH-CB 3.3Å; Y74-T100 WeakPolarHBondContact OH-CG2 3.46Å; Y74-T100 PolarHBondContact OH-OG1 3.19Å |
| 75 | Y | 97.6 | Very high | 97.6 | Very high | 96 Ų | 96 | 66.6 Ų | 66.6 | 38% | 0.376 | 34% | 0.336 | S | S | . | . | trans | -114.3 | 175.2 | 169 | -60.1 | -94.3 | 0 | 0 | 0 | 108.9 | F49 C73 S77 Y78 I80 | F49-Y75 HydrophobicContact CZ-CE2 4.11Å; F49-Y75 AromaticContact CZ-CZ 3.97Å; F49-Y75 WeakPolarHBondContact CZ-OH 3.15Å; C73-Y75 HydrophobicContact CB-CE2 3.82Å; Y75-S77 PolarHBondContact O-N 2.74Å; Y75-Y78 CarbonylContact C-O 3.45Å; Y75-Y78 WeakPolarHBondContact CA-O 3.33Å; Y75-Y78 VanDerWaalsContact CB-O 3.32Å; Y75-Y78 WeakPolarHBondContact CB-O 3.47Å; Y75-Y78 HydrophobicContact CD1-CE1 4.38Å; Y75-Y78 AromaticContact CD2-CD2 3.91Å; Y75-Y78 HydrophobicContact CD2-CD2 3.91Å; Y75-Y78 HydrophobicContact CD2-CE1 4.06Å; Y75-Y78 AromaticContact CD2-CE2 3.35Å; Y75-Y78 HydrophobicContact CD2-CE2 3.35Å; Y75-Y78 HydrophobicContact CD2-CG 4.46Å; Y75-Y78 AromaticContact CD2-CZ 3.44Å; Y75-Y78 VanDerWaalsContact CD2-CZ 3.44Å; Y75-Y78 AromaticContact CE2-CE2 3.69Å; Y75-Y78 HydrophobicContact CE2-CE2 3.69Å; Y75-Y78 AromaticContact CE2-CZ 3.85Å; Y75-Y78 HydrophobicContact CG-CD1 4.38Å; Y75-Y78 AromaticContact CG-CE1 3.8Å; Y75-Y78 HydrophobicContact CG-CE1 3.8Å; Y75-Y78 AromaticContact CG-CE2 3.99Å; Y75-Y78 HydrophobicContact CG-CE2 3.99Å; Y75-Y78 AromaticContact CG-CZ 3.58Å; Y75-Y78 PolarHBondContact N-O 3.31Å; Y75-I80 HydrophobicContact CE2-CG2 4.03Å | ||
| 76 | N | 97 | Very high | 97.1 | Very high | 167 Ų | 167 | 61.5 Ų | 61.5 | 89% | 0.893 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -57.9 | -45.4 | -177.1 | -74.3 | 5.2 | 0 | 0 | 0 | 113.2 | S96 | N76-S96 PolarHBondContact O-OG 2.91Š|
| 77 | S | 96.1 | Very high | 96.9 | Very high | 87 Ų | 87 | 58 Ų | 58 | 61% | 0.608 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -111 | -10.1 | -173.5 | 57.1 | 0 | 0 | 0 | 0 | 114.7 | Y75 S96 | Y75-S77 PolarHBondContact O-N 2.74Å; S77-S96 PolarHBondContact O-N 3.47Å |
| 78 | Y | 98.4 | Very high | 96.8 | Very high | 15 Ų | 15 | 50.1 Ų | 50.1 | 6% | 0.059 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 162.3 | -178 | 71.9 | -81.5 | 0 | 0 | 0 | 111 | P41 H43 A44 F49 Y75 I93 A94 | P41-Y78 HydrophobicContact CG-CD1 4.25Å; P41-Y78 HydrophobicContact CG-CD2 4.17Å; P41-Y78 HydrophobicContact CG-CG 3.97Å; H43-Y78 AromaticContact CE1-CE1 3.97Å; H43-Y78 AromaticContact NE2-CE1 3.62Å; H43-Y78 AromaticContact NE2-CZ 3.51Å; H43-Y78 PolarHBondContact NE2-OH 2.86Å; A44-Y78 HydrophobicContact CB-CE2 4.15Å; F49-Y78 HydrophobicContact CZ-CE2 4.33Å; Y75-Y78 CarbonylContact C-O 3.45Å; Y75-Y78 WeakPolarHBondContact CA-O 3.33Å; Y75-Y78 VanDerWaalsContact CB-O 3.32Å; Y75-Y78 WeakPolarHBondContact CB-O 3.47Å; Y75-Y78 HydrophobicContact CD1-CE1 4.38Å; Y75-Y78 AromaticContact CD2-CD2 3.91Å; Y75-Y78 HydrophobicContact CD2-CD2 3.91Å; Y75-Y78 HydrophobicContact CD2-CE1 4.06Å; Y75-Y78 AromaticContact CD2-CE2 3.35Å; Y75-Y78 HydrophobicContact CD2-CE2 3.35Å; Y75-Y78 HydrophobicContact CD2-CG 4.46Å; Y75-Y78 AromaticContact CD2-CZ 3.44Å; Y75-Y78 VanDerWaalsContact CD2-CZ 3.44Å; Y75-Y78 AromaticContact CE2-CE2 3.69Å; Y75-Y78 HydrophobicContact CE2-CE2 3.69Å; Y75-Y78 AromaticContact CE2-CZ 3.85Å; Y75-Y78 HydrophobicContact CG-CD1 4.38Å; Y75-Y78 AromaticContact CG-CE1 3.8Å; Y75-Y78 HydrophobicContact CG-CE1 3.8Å; Y75-Y78 AromaticContact CG-CE2 3.99Å; Y75-Y78 HydrophobicContact CG-CE2 3.99Å; Y75-Y78 AromaticContact CG-CZ 3.58Å; Y75-Y78 PolarHBondContact N-O 3.31Å; Y78-I93 HydrophobicContact CD2-CG2 4.29Å; Y78-A94 CarbonylContact C-O 3.56Å; Y78-A94 WeakPolarHBondContact CA-O 3.32Å; Y78-A94 VanDerWaalsContact CB-O 3.26Å; Y78-A94 WeakPolarHBondContact CB-O 3.2Å |
| 79 | Q | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 153.6 | 167.2 | 67.4 | -175.4 | -73.5 | 0 | 0 | 109.1 | C73 Y74 A94 S95 A98 T100 | C73-Q79 VanDerWaalsContact O-CA 3.31Å; C73-Q79 WeakPolarHBondContact O-CA 3.38Å; Y74-Q79 HydrophobicContact CD1-CB 3.79Å; Y74-Q79 HydrophobicContact CE1-CB 4.11Å; Q79-A94 HydrophobicContact CG-CB 4.06Å; Q79-A94 PolarHBondContact N-O 3.07Å; Q79-A94 PolarHBondContact O-N 3.39Å; Q79-S95 WeakPolarHBondContact CG-O 3.44Å; Q79-S95 PolarHBondContact NE2-O 3.14Å; Q79-A98 PolarHBondContact NE2-O 2.95Å; Q79-T100 PolarHBondContact OE1-OG1 3.36Å |
| 80 | I | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 131 | 170.5 | -172.8 | 175.2 | 0 | 0 | 0 | 109.1 | F49 L50 C73 Y75 Q82 L92 I93 | F49-I80 HydrophobicContact CD1-CD1 4.39Å; F49-I80 HydrophobicContact CE1-CD1 3.74Å; F49-I80 HydrophobicContact CE1-CG2 4.41Å; L50-I80 HydrophobicContact CD2-CD1 4.15Å; C73-I80 HydrophobicContact CB-CG2 3.8Å; C73-I80 PolarHBondContact N-O 3.05Å; C73-I80 PolarHBondContact O-N 3.41Å; Y75-I80 HydrophobicContact CE2-CG2 4.03Å; I80-Q82 HydrophobicContact CD1-CG 3.74Å; I80-Q82 HydrophobicContact CG1-CG 3.72Å; I80-L92 WeakPolarHBondContact CA-O 3.39Å; I80-I93 HydrophobicContact CB-CG1 4.36Å; I80-I93 HydrophobicContact CD1-CD1 4.43Å; I80-I93 HydrophobicContact CD1-CG1 3.91Å; I80-I93 HydrophobicContact CG1-CG1 3.86Å |
| 81 | V | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 117.1 | 173.2 | -171.7 | 0 | 0 | 0 | 0 | 107.8 | I72 F83 L92 T100 I103 | I72-V81 HydrophobicContact CG1-CB 4.49Å; I72-V81 HydrophobicContact CG1-CG1 3.87Å; I72-V81 HydrophobicContact CG1-CG2 4.18Å; I72-V81 HydrophobicContact CG2-CG2 4.27Å; V81-F83 HydrophobicContact CB-CE2 4Å; V81-F83 HydrophobicContact CB-CZ 4.25Å; V81-F83 HydrophobicContact CG1-CD2 4.23Å; V81-F83 HydrophobicContact CG1-CE1 4.04Å; V81-F83 HydrophobicContact CG1-CE2 3.39Å; V81-F83 HydrophobicContact CG1-CZ 3.28Å; V81-L92 PolarHBondContact N-O 3.09Å; V81-L92 PolarHBondContact O-N 3.3Å; V81-T100 HydrophobicContact CG2-CG2 3.98Å; V81-I103 HydrophobicContact CB-CG2 3.92Å; V81-I103 HydrophobicContact CG1-CG2 4.48Å; V81-I103 HydrophobicContact CG2-CB 4.47Å; V81-I103 HydrophobicContact CG2-CG2 3.74Å |
| 82 | Q | 98.5 | Very high | 96.7 | Very high | 12 Ų | 12 | 37.3 Ų | 37.3 | 6% | 0.056 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 137 | -178.1 | -56.6 | -172.1 | -81.2 | 0 | 0 | 110.3 | F53 S70 I71 I80 I90 S91 | F53-Q82 HydrophobicContact CB-CB 4.5Å; F53-Q82 HydrophobicContact CD2-CB 3.29Å; F53-Q82 HydrophobicContact CD2-CG 4.17Å; F53-Q82 HydrophobicContact CE2-CB 3.52Å; F53-Q82 HydrophobicContact CG-CB 3.9Å; F53-Q82 HydrophobicContact CZ-CB 4.29Å; S70-Q82 CarbonylContact C-O 3.53Å; S70-Q82 WeakPolarHBondContact CA-O 3.34Å; S70-Q82 WeakPolarHBondContact CB-O 3.45Å; I71-Q82 PolarHBondContact N-O 3.36Å; I71-Q82 PolarHBondContact O-N 2.84Å; I80-Q82 HydrophobicContact CD1-CG 3.74Å; I80-Q82 HydrophobicContact CG1-CG 3.72Å; Q82-I90 CarbonylContact C-O 3.6Å; Q82-I90 VanDerWaalsContact CA-O 3.24Å; Q82-I90 WeakPolarHBondContact CA-O 3.39Å; Q82-S91 PolarHBondContact NE2-OG 3.35Å |
| 83 | F | 97.9 | Very high | 96.7 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 134.8 | -174.6 | -55.5 | -100.6 | 0 | 0 | 0 | 110.8 | V81 R85 I90 L92 M104 E107 | V81-F83 HydrophobicContact CB-CE2 4Å; V81-F83 HydrophobicContact CB-CZ 4.25Å; V81-F83 HydrophobicContact CG1-CD2 4.23Å; V81-F83 HydrophobicContact CG1-CE1 4.04Å; V81-F83 HydrophobicContact CG1-CE2 3.39Å; V81-F83 HydrophobicContact CG1-CZ 3.28Å; F83-R85 PolarHBondContact O-N 2.85Å; F83-I90 HydrophobicContact CB-CB 4.29Å; F83-I90 HydrophobicContact CD2-CB 4.29Å; F83-I90 HydrophobicContact CD2-CG2 4.37Å; F83-I90 PolarHBondContact N-O 3.34Å; F83-I90 PolarHBondContact O-N 3.28Å; F83-L92 HydrophobicContact CE2-CD1 3.77Å; F83-L92 HydrophobicContact CE2-CG 4.24Å; F83-L92 HydrophobicContact CZ-CD1 4.33Å; F83-M104 HydrophobicContact CZ-CG 4.45Å; F83-E107 HydrophobicContact CB-CG 4.24Å; F83-E107 HydrophobicContact CD1-CB 4.12Å; F83-E107 HydrophobicContact CD1-CG 3.64Å; F83-E107 HydrophobicContact CD2-CB 4.13Å; F83-E107 HydrophobicContact CD2-CG 3.62Å; F83-E107 HydrophobicContact CE1-CB 3.65Å; F83-E107 HydrophobicContact CE1-CG 3.74Å; F83-E107 HydrophobicContact CE2-CB 3.67Å; F83-E107 HydrophobicContact CE2-CG 3.71Å; F83-E107 HydrophobicContact CG-CB 4.33Å; F83-E107 HydrophobicContact CG-CG 3.57Å; F83-E107 HydrophobicContact CZ-CB 3.4Å; F83-E107 HydrophobicContact CZ-CG 3.76Å |
| 84 | N | 96.2 | Very high | 96.7 | Very high | 29 Ų | 29 | 32.4 Ų | 32.4 | 16% | 0.155 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 108.1 | 176.3 | -176.4 | -17.1 | 0 | 0 | 0 | 109.7 | F53 T57 N68 K69 L86 | F53-N84 HydrophobicContact CE1-CB 4.08Å; F53-N84 HydrophobicContact CZ-CB 3.97Å; T57-N84 PolarHBondContact OG1-ND2 3.3Å; T57-N84 VanDerWaalsContact OG1-ND2 3.09Å; N68-N84 WeakPolarHBondContact O-CB 3.24Å; N68-N84 PolarHBondContact O-ND2 2.93Å; K69-N84 WeakPolarHBondContact O-CB 3.4Å; K69-N84 PolarHBondContact O-N 3.25Å; N84-L86 WeakPolarHBondContact OD1-CG 3.28Å; N84-L86 PolarHBondContact OD1-N 3.13Å |
| 85 | R | 93.5 | Very high | 96.7 | Very high | 63 Ų | 63 | 27.2 Ų | 27.2 | 24% | 0.238 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 39.5 | 174 | -63.8 | -68.2 | 177.6 | -101.9 | 4.5 | 110.6 | F83 L88 I90 E107 | F83-R85 PolarHBondContact O-N 2.85Å; R85-L88 CarbonylContact C-O 3.5Å; R85-L88 WeakPolarHBondContact CA-O 3.17Å; R85-L88 HydrophobicContact CB-CB 4.38Å; R85-L88 PolarHBondContact N-O 3.48Å; R85-L88 VanDerWaalsContact N-O 3.15Å; R85-L88 WeakPolarHBondContact O-CA 3.33Å; R85-L88 WeakPolarHBondContact O-CB 3.08Å; R85-L88 PolarHBondContact O-N 2.95Å; R85-L88 VanDerWaalsContact O-O 3.09Å; R85-I90 HydrophobicContact CG-CD1 3.85Å; R85-I90 HydrophobicContact CG-CG1 4.27Å; R85-E107 IonicContact CZ-OE1 3.65Å; R85-E107 IonicContact CZ-OE2 3.88Å; R85-E107 IonicContact NE-OE1 3.35Å; R85-E107 PolarHBondContact NE-OE1 3.36Å; R85-E107 IonicContact NH2-OE1 3.8Å; R85-E107 PolarHBondContact NH2-OE1 2.88Å; R85-E107 IonicContact NH2-OE2 3.29Å; R85-E107 PolarHBondContact NH2-OE2 2.67Å |
| 86 | L | 87.1 | Confident | 96.7 | Very high | 38 Ų | 38 | 24.1 Ų | 24.1 | 20% | 0.199 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.3 | 133.3 | -169.1 | -74.1 | 172.5 | 0 | 0 | 0 | 112.5 | R27 N84 L88 R118 | R27-L86 HydrophobicContact CG-CD2 3.55Å; N84-L86 WeakPolarHBondContact OD1-CG 3.28Å; N84-L86 PolarHBondContact OD1-N 3.13Å; L86-L88 VanDerWaalsContact C-N 3.31Å; L86-L88 VanDerWaalsContact CA-N 3.35Å; L86-L88 PolarHBondContact N-O 2.83Å; L86-L88 VanDerWaalsContact N-O 3.14Å; L86-R118 PolarHBondContact O-NH2 2.82Å |
| 87 | P | 91.9 | Very high | 96.7 | Very high | 25 Ų | 25 | 23.4 Ų | 23.4 | 16% | 0.162 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -78.5 | -4.7 | 13.7 | 31.3 | -35.6 | 0 | 0 | 0 | 115.3 | V121 E122 | P87-V121 HydrophobicContact CB-CG1 4.16Å; P87-V121 HydrophobicContact CG-CG1 4.4Å; P87-E122 WeakPolarHBondContact CD-OE1 3.39Å; P87-E122 HydrophobicContact CG-CG 3.71Å |
| 88 | L | 94.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 154.9 | 177.6 | -59.9 | 177.3 | 0 | 0 | 0 | 113.1 | V24 T25 V32 R85 L86 I114 L117 R118 V121 | V24-L88 HydrophobicContact CG1-CB 4.28Å; V24-L88 HydrophobicContact CG1-CD1 4.18Å; V24-L88 HydrophobicContact CG1-CD2 4.14Å; V24-L88 HydrophobicContact CG1-CG 4.44Å; T25-L88 CarbonylContact O-C 3.49Å; T25-L88 WeakPolarHBondContact O-CA 3.39Å; V32-L88 HydrophobicContact CG2-CD2 4.04Å; R85-L88 CarbonylContact C-O 3.5Å; R85-L88 WeakPolarHBondContact CA-O 3.17Å; R85-L88 HydrophobicContact CB-CB 4.38Å; R85-L88 PolarHBondContact N-O 3.48Å; R85-L88 VanDerWaalsContact N-O 3.15Å; R85-L88 WeakPolarHBondContact O-CA 3.33Å; R85-L88 WeakPolarHBondContact O-CB 3.08Å; R85-L88 PolarHBondContact O-N 2.95Å; R85-L88 VanDerWaalsContact O-O 3.09Å; L86-L88 VanDerWaalsContact C-N 3.31Å; L86-L88 VanDerWaalsContact CA-N 3.35Å; L86-L88 PolarHBondContact N-O 2.83Å; L86-L88 VanDerWaalsContact N-O 3.14Å; L88-I114 HydrophobicContact CD1-CG2 3.84Å; L88-L117 HydrophobicContact CD1-CB 4.1Å; L88-R118 HydrophobicContact CD1-CG 3.81Å; L88-R118 HydrophobicContact CG-CG 4.15Å; L88-V121 HydrophobicContact CD2-CB 4.25Å; L88-V121 HydrophobicContact CD2-CG2 3.53Å |
| 89 | V | 96.2 | Very high | 96.9 | Very high | 3 Ų | 3 | 23.3 Ų | 23.3 | 2% | 0.018 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 125.4 | 169.3 | -179.3 | 0 | 0 | 0 | 0 | 108 | V24 T25 F53 | V24-V89 WeakPolarHBondContact CA-O 3.33Å; T25-V89 PolarHBondContact N-O 3.1Å; T25-V89 PolarHBondContact O-N 3.18Å; F53-V89 HydrophobicContact CB-CG1 4.3Å; F53-V89 HydrophobicContact CD1-CB 4.25Å; F53-V89 HydrophobicContact CD1-CG1 3.41Å; F53-V89 VanDerWaalsContact CD1-CG1 3.41Å; F53-V89 HydrophobicContact CD1-CG2 3.76Å; F53-V89 HydrophobicContact CE1-CG1 3.9Å; F53-V89 HydrophobicContact CE1-CG2 4.2Å; F53-V89 HydrophobicContact CG-CG1 3.94Å |
| 90 | I | 97.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.6 | 173.5 | -54.9 | 172.6 | 0 | 0 | 0 | 107.5 | Q82 F83 R85 E107 I114 | Q82-I90 CarbonylContact C-O 3.6Å; Q82-I90 VanDerWaalsContact CA-O 3.24Å; Q82-I90 WeakPolarHBondContact CA-O 3.39Å; F83-I90 HydrophobicContact CB-CB 4.29Å; F83-I90 HydrophobicContact CD2-CB 4.29Å; F83-I90 HydrophobicContact CD2-CG2 4.37Å; F83-I90 PolarHBondContact N-O 3.34Å; F83-I90 PolarHBondContact O-N 3.28Å; R85-I90 HydrophobicContact CG-CD1 3.85Å; R85-I90 HydrophobicContact CG-CG1 4.27Å; I90-E107 HydrophobicContact CD1-CG 4.16Å; I90-I114 HydrophobicContact CD1-CB 4.27Å; I90-I114 HydrophobicContact CD1-CD1 3.52Å; I90-I114 HydrophobicContact CD1-CG1 4.49Å; I90-I114 HydrophobicContact CD1-CG2 4.03Å; I90-I114 HydrophobicContact CG1-CD1 3.92Å; I90-I114 HydrophobicContact CG1-CG2 4.11Å; I90-I114 HydrophobicContact CG2-CD1 4.3Å |
| 91 | S | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.4 | 177.5 | -60.6 | 0 | 0 | 0 | 0 | 110.2 | V23 Q82 | V23-S91 PolarHBondContact N-O 3.35Å; V23-S91 PolarHBondContact O-N 2.84Å; Q82-S91 PolarHBondContact NE2-OG 3.35Å |
| 92 | L | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 118.5 | 174.7 | -63.3 | 174.5 | 0 | 0 | 0 | 108.4 | L19 V22 I80 V81 F83 I103 E107 | L19-L92 HydrophobicContact CD1-CB 4.16Å; L19-L92 HydrophobicContact CD1-CD2 4.37Å; V22-L92 HydrophobicContact CB-CD2 3.93Å; V22-L92 HydrophobicContact CG1-CD2 3.71Å; V22-L92 HydrophobicContact CG2-CD2 3.48Å; V22-L92 VanDerWaalsContact CG2-CD2 3.48Å; I80-L92 WeakPolarHBondContact CA-O 3.39Å; V81-L92 PolarHBondContact N-O 3.09Å; V81-L92 PolarHBondContact O-N 3.3Å; F83-L92 HydrophobicContact CE2-CD1 3.77Å; F83-L92 HydrophobicContact CE2-CG 4.24Å; F83-L92 HydrophobicContact CZ-CD1 4.33Å; L92-I103 HydrophobicContact CB-CG2 3.62Å; L92-I103 HydrophobicContact CD1-CG2 3.4Å; L92-I103 WeakPolarHBondContact CD1-O 3.36Å; L92-I103 HydrophobicContact CG-CG2 4.11Å; L92-E107 HydrophobicContact CD1-CB 4.19Å |
| 93 | I | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 125.6 | -178.4 | -60.1 | 159.8 | 0 | 0 | 0 | 108 | H20 A21 V23 P41 A44 L45 Y78 I80 | H20-I93 WeakPolarHBondContact CA-O 3.21Å; H20-I93 WeakPolarHBondContact CB-O 3.42Å; H20-I93 PolarHBondContact N-O 3.28Å; A21-I93 HydrophobicContact CB-CB 4.23Å; A21-I93 HydrophobicContact CB-CD1 4.32Å; A21-I93 PolarHBondContact N-O 3.13Å; A21-I93 PolarHBondContact O-N 3.36Å; V23-I93 HydrophobicContact CG2-CD1 4.39Å; P41-I93 HydrophobicContact CG-CG2 3.89Å; A44-I93 HydrophobicContact CB-CD1 3.88Å; A44-I93 HydrophobicContact CB-CG2 4.48Å; L45-I93 HydrophobicContact CD2-CD1 3.59Å; L45-I93 HydrophobicContact CG-CD1 4.47Å; Y78-I93 HydrophobicContact CD2-CG2 4.29Å; I80-I93 HydrophobicContact CB-CG1 4.36Å; I80-I93 HydrophobicContact CD1-CD1 4.43Å; I80-I93 HydrophobicContact CD1-CG1 3.91Å; I80-I93 HydrophobicContact CG1-CG1 3.86Å |
| 94 | A | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 168.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | G18 L19 Y78 Q79 A98 I103 | G18-A94 CarbonylContact O-C 2.9Å; G18-A94 WeakPolarHBondContact O-CA 3.34Å; G18-A94 VanDerWaalsContact O-CB 3.29Å; G18-A94 WeakPolarHBondContact O-CB 3.27Å; L19-A94 HydrophobicContact CD1-CB 4.18Å; Y78-A94 CarbonylContact C-O 3.56Å; Y78-A94 WeakPolarHBondContact CA-O 3.32Å; Y78-A94 VanDerWaalsContact CB-O 3.26Å; Y78-A94 WeakPolarHBondContact CB-O 3.2Å; Q79-A94 HydrophobicContact CG-CB 4.06Å; Q79-A94 PolarHBondContact N-O 3.07Å; Q79-A94 PolarHBondContact O-N 3.39Å; A94-A98 HydrophobicContact CB-CB 3.64Å; A94-I103 HydrophobicContact CB-CD1 3.61Å |
| 95 | S | 98.4 | Very high | 96.9 | Very high | 28 Ų | 28 | 34 Ų | 34 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -55.8 | 149.4 | 167.2 | 170.8 | 0 | 0 | 0 | 0 | 111 | G18 H20 Q79 N97 A98 | G18-S95 PolarHBondContact O-N 3.4Å; H20-S95 PolarHBondContact CD2-N 3.28Å; H20-S95 PolarHBondContact NE2-N 2.79Å; Q79-S95 WeakPolarHBondContact CG-O 3.44Å; Q79-S95 PolarHBondContact NE2-O 3.14Å; S95-N97 PolarHBondContact O-N 3.05Å; S95-N97 VanDerWaalsContact O-N 3.13Å; S95-N97 PolarHBondContact OG-N 3.37Å; S95-A98 VanDerWaalsContact O-CB 3.3Å; S95-A98 WeakPolarHBondContact O-CB 3.44Å; S95-A98 PolarHBondContact O-N 2.84Å |
| 96 | S | 97.8 | Very high | 97 | Very high | 32 Ų | 32 | 31.2 Ų | 31.2 | 22% | 0.224 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.9 | 176.5 | 48.1 | 0 | 0 | 0 | 0 | 113.1 | N76 S77 | N76-S96 PolarHBondContact O-OG 2.91Å; S77-S96 PolarHBondContact O-N 3.47Å |
| 97 | N | 97.4 | Very high | 97.4 | Very high | 151 Ų | 151 | 29.6 Ų | 29.6 | 81% | 0.807 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -5.8 | 177.1 | -63 | -31 | 0 | 0 | 0 | 114.1 | S95 | S95-N97 PolarHBondContact O-N 3.05Å; S95-N97 VanDerWaalsContact O-N 3.13Å; S95-N97 PolarHBondContact OG-N 3.37Å |
| 98 | A | 98.4 | Very high | 97.5 | Very high | 9 Ų | 9 | 35.4 Ų | 35.4 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -64.4 | 147.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E17 Q79 A94 S95 T100 I103 | E17-A98 WeakPolarHBondContact O-CB 3.48Å; Q79-A98 PolarHBondContact NE2-O 2.95Å; A94-A98 HydrophobicContact CB-CB 3.64Å; S95-A98 VanDerWaalsContact O-CB 3.3Å; S95-A98 WeakPolarHBondContact O-CB 3.44Å; S95-A98 PolarHBondContact O-N 2.84Å; A98-T100 PolarHBondContact O-N 3.33Å; A98-T100 VanDerWaalsContact O-N 3.09Å; A98-I103 HydrophobicContact CB-CD1 4.24Å |
| 99 | N | 98.4 | Very high | 97.4 | Very high | 91 Ų | 91 | 41.3 Ų | 41.3 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | trans | -74.3 | 105.1 | -178.4 | -173.3 | -43.7 | 0 | 0 | 0 | 111.3 | G101 L102 I103 | N99-G101 VanDerWaalsContact C-N 3.26Å; N99-G101 PolarHBondContact O-N 2.82Å; N99-G101 WeakPolarHBondContact OD1-CA 3.47Å; N99-G101 PolarHBondContact OD1-N 3.43Å; N99-L102 HydrophobicContact CB-CB 4.28Å; N99-L102 HydrophobicContact CB-CD1 4Å; N99-L102 HydrophobicContact CB-CG 4.06Å; N99-L102 PolarHBondContact O-N 3.43Å; N99-L102 VanDerWaalsContact O-N 3.12Å; N99-L102 PolarHBondContact OD1-N 3Å; N99-L102 VanDerWaalsContact OD1-N 3.14Å; N99-I103 WeakPolarHBondContact O-CG1 3.49Å; N99-I103 PolarHBondContact O-N 2.99Å | ||
| 100 | T | 98.6 | Very high | 97.2 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 13% | 0.129 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.8 | -34.2 | -178.9 | -37.5 | 0 | 0 | 0 | 0 | 113.1 | I72 Y74 Q79 V81 A98 L102 I103 M104 | I72-T100 HydrophobicContact CD1-CG2 3.89Å; I72-T100 HydrophobicContact CG1-CG2 4.35Å; I72-T100 HydrophobicContact CG2-CG2 4.02Å; Y74-T100 WeakPolarHBondContact OH-CB 3.3Å; Y74-T100 WeakPolarHBondContact OH-CG2 3.46Å; Y74-T100 PolarHBondContact OH-OG1 3.19Å; Q79-T100 PolarHBondContact OE1-OG1 3.36Å; V81-T100 HydrophobicContact CG2-CG2 3.98Å; A98-T100 PolarHBondContact O-N 3.33Å; A98-T100 VanDerWaalsContact O-N 3.09Å; T100-L102 VanDerWaalsContact C-N 3.34Å; T100-L102 PolarHBondContact O-N 2.96Å; T100-I103 WeakPolarHBondContact O-CB 3.49Å; T100-I103 PolarHBondContact O-N 3.25Å; T100-M104 WeakPolarHBondContact O-CG 3.41Å; T100-M104 PolarHBondContact O-N 3.26Å |
| 101 | G | 98.4 | Very high | 96.9 | Very high | 40 Ų | 40 | 41.8 Ų | 41.8 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -39.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | N99 M104 S105 | N99-G101 VanDerWaalsContact C-N 3.26Å; N99-G101 PolarHBondContact O-N 2.82Å; N99-G101 WeakPolarHBondContact OD1-CA 3.47Å; N99-G101 PolarHBondContact OD1-N 3.43Å; G101-M104 PolarHBondContact O-N 3.09Å; G101-S105 PolarHBondContact O-N 2.98Å; G101-S105 PolarHBondContact O-OG 3.24Å |
| 102 | L | 98.3 | Very high | 96.5 | Very high | 90 Ų | 90 | 45.9 Ų | 45.9 | 47% | 0.471 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.6 | -39.1 | 174 | -65.3 | -179.1 | 0 | 0 | 0 | 111.8 | V16 N99 T100 M104 S105 L106 | V16-L102 HydrophobicContact CG1-CB 4.07Å; V16-L102 HydrophobicContact CG2-CB 3.93Å; N99-L102 HydrophobicContact CB-CB 4.28Å; N99-L102 HydrophobicContact CB-CD1 4Å; N99-L102 HydrophobicContact CB-CG 4.06Å; N99-L102 PolarHBondContact O-N 3.43Å; N99-L102 VanDerWaalsContact O-N 3.12Å; N99-L102 PolarHBondContact OD1-N 3Å; N99-L102 VanDerWaalsContact OD1-N 3.14Å; T100-L102 VanDerWaalsContact C-N 3.34Å; T100-L102 PolarHBondContact O-N 2.96Å; L102-M104 VanDerWaalsContact C-N 3.31Å; L102-M104 PolarHBondContact O-N 3.21Å; L102-S105 PolarHBondContact O-N 2.85Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 PolarHBondContact O-N 2.95Å |
| 103 | I | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 174.1 | -62.3 | 175.3 | 0 | 0 | 0 | 110.8 | V16 V81 L92 A94 A98 N99 T100 S105 L106 E107 | V16-I103 HydrophobicContact CG1-CG1 3.9Å; V81-I103 HydrophobicContact CB-CG2 3.92Å; V81-I103 HydrophobicContact CG1-CG2 4.48Å; V81-I103 HydrophobicContact CG2-CB 4.47Å; V81-I103 HydrophobicContact CG2-CG2 3.74Å; L92-I103 HydrophobicContact CB-CG2 3.62Å; L92-I103 HydrophobicContact CD1-CG2 3.4Å; L92-I103 WeakPolarHBondContact CD1-O 3.36Å; L92-I103 HydrophobicContact CG-CG2 4.11Å; A94-I103 HydrophobicContact CB-CD1 3.61Å; A98-I103 HydrophobicContact CB-CD1 4.24Å; N99-I103 WeakPolarHBondContact O-CG1 3.49Å; N99-I103 PolarHBondContact O-N 2.99Å; T100-I103 WeakPolarHBondContact O-CB 3.49Å; T100-I103 PolarHBondContact O-N 3.25Å; I103-S105 VanDerWaalsContact C-N 3.35Å; I103-L106 PolarHBondContact O-N 3.13Å; I103-E107 PolarHBondContact O-N 3.02Å; I103-E107 VanDerWaalsContact O-N 3.12Å |
| 104 | M | 97.7 | Very high | 95.4 | Very high | 67 Ų | 67 | 49.1 Ų | 49.1 | 33% | 0.33 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.3 | -34.3 | 176.4 | -69.3 | -170.9 | 78.3 | 0 | 0 | 113.1 | I72 F83 T100 G101 L102 | I72-M104 HydrophobicContact CD1-SD 4.12Å; F83-M104 HydrophobicContact CZ-CG 4.45Å; T100-M104 WeakPolarHBondContact O-CG 3.41Å; T100-M104 PolarHBondContact O-N 3.26Å; G101-M104 PolarHBondContact O-N 3.09Å; L102-M104 VanDerWaalsContact C-N 3.31Å; L102-M104 PolarHBondContact O-N 3.21Å |
| 105 | S | 97.4 | Very high | 94.8 | Very high | 56 Ų | 56 | 51.9 Ų | 51.9 | 39% | 0.392 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -70.4 | -42.5 | 174.7 | -65.5 | 0 | 0 | 0 | 0 | 111.6 | G101 L102 I103 E107 K108 E109 | G101-S105 PolarHBondContact O-N 2.98Å; G101-S105 PolarHBondContact O-OG 3.24Å; L102-S105 PolarHBondContact O-N 2.85Å; I103-S105 VanDerWaalsContact C-N 3.35Å; S105-E107 VanDerWaalsContact C-N 3.29Å; S105-E107 PolarHBondContact O-N 3.14Å; S105-K108 WeakPolarHBondContact O-CB 3.46Å; S105-K108 PolarHBondContact O-N 2.79Å; S105-K108 VanDerWaalsContact O-N 3.07Å; S105-E109 PolarHBondContact O-N 3.15Å |
| 106 | L | 96.7 | Very high | 94.1 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.026 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.2 | -41.4 | 176.2 | 179.3 | 62.2 | 0 | 0 | 0 | 111.4 | Q12 V16 L19 L102 I103 K108 E109 L110 | Q12-L106 HydrophobicContact CB-CD1 4.45Å; V16-L106 HydrophobicContact CG2-CB 4.45Å; V16-L106 HydrophobicContact CG2-CD2 4.17Å; L19-L106 HydrophobicContact CD2-CD2 3.56Å; L102-L106 WeakPolarHBondContact O-CB 3.43Å; L102-L106 PolarHBondContact O-N 2.95Å; I103-L106 PolarHBondContact O-N 3.13Å; L106-K108 VanDerWaalsContact C-N 3.26Å; L106-K108 PolarHBondContact O-N 2.97Å; L106-E109 WeakPolarHBondContact O-CB 3.35Å; L106-E109 PolarHBondContact O-N 2.93Å; L106-E109 VanDerWaalsContact O-N 3.09Å; L106-L110 HydrophobicContact CD1-CD1 4.24Å; L106-L110 HydrophobicContact CD1-CD2 4.46Å; L106-L110 HydrophobicContact CD1-CG 4.1Å; L106-L110 HydrophobicContact CD2-CD1 4.36Å; L106-L110 HydrophobicContact CG-CD1 3.91Å; L106-L110 HydrophobicContact CG-CG 4.17Å; L106-L110 WeakPolarHBondContact O-CG 3.34Å; L106-L110 PolarHBondContact O-N 2.93Å |
| 107 | E | 95.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.019 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.2 | -37.8 | 176.7 | -173.5 | -89.1 | 164 | 0 | 0 | 112.9 | F83 R85 I90 L92 I103 S105 E109 L110 A111 | F83-E107 HydrophobicContact CB-CG 4.24Å; F83-E107 HydrophobicContact CD1-CB 4.12Å; F83-E107 HydrophobicContact CD1-CG 3.64Å; F83-E107 HydrophobicContact CD2-CB 4.13Å; F83-E107 HydrophobicContact CD2-CG 3.62Å; F83-E107 HydrophobicContact CE1-CB 3.65Å; F83-E107 HydrophobicContact CE1-CG 3.74Å; F83-E107 HydrophobicContact CE2-CB 3.67Å; F83-E107 HydrophobicContact CE2-CG 3.71Å; F83-E107 HydrophobicContact CG-CB 4.33Å; F83-E107 HydrophobicContact CG-CG 3.57Å; F83-E107 HydrophobicContact CZ-CB 3.4Å; F83-E107 HydrophobicContact CZ-CG 3.76Å; R85-E107 IonicContact CZ-OE1 3.65Å; R85-E107 IonicContact CZ-OE2 3.88Å; R85-E107 IonicContact NE-OE1 3.35Å; R85-E107 PolarHBondContact NE-OE1 3.36Å; R85-E107 IonicContact NH2-OE1 3.8Å; R85-E107 PolarHBondContact NH2-OE1 2.88Å; R85-E107 IonicContact NH2-OE2 3.29Å; R85-E107 PolarHBondContact NH2-OE2 2.67Å; I90-E107 HydrophobicContact CD1-CG 4.16Å; L92-E107 HydrophobicContact CD1-CB 4.19Å; I103-E107 PolarHBondContact O-N 3.02Å; I103-E107 VanDerWaalsContact O-N 3.12Å; S105-E107 VanDerWaalsContact C-N 3.29Å; S105-E107 PolarHBondContact O-N 3.14Å; E107-E109 PolarHBondContact O-N 3.15Å; E107-L110 PolarHBondContact O-N 3.33Å; E107-L110 VanDerWaalsContact O-N 3.15Å; E107-A111 WeakPolarHBondContact O-CB 3.2Å; E107-A111 PolarHBondContact O-N 2.92Å |
| 108 | K | 94.4 | Very high | 92.8 | Very high | 147 Ų | 147 | 52.2 Ų | 52.2 | 64% | 0.639 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -63.4 | -33.1 | 177.8 | -63.7 | 173.8 | -176.1 | 172.6 | 0 | 112.1 | S105 L106 P112 | S105-K108 WeakPolarHBondContact O-CB 3.46Å; S105-K108 PolarHBondContact O-N 2.79Å; S105-K108 VanDerWaalsContact O-N 3.07Å; L106-K108 VanDerWaalsContact C-N 3.26Å; L106-K108 PolarHBondContact O-N 2.97Å; K108-P112 WeakPolarHBondContact O-CD 3.45Å |
| 109 | E | 93.1 | Very high | 91.9 | Very high | 123 Ų | 123 | 59.7 Ų | 59.7 | 58% | 0.575 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -74.4 | -36.9 | 175.2 | -62.5 | 177.7 | -171 | 0 | 0 | 111.7 | S105 L106 E107 P112 | S105-E109 PolarHBondContact O-N 3.15Å; L106-E109 WeakPolarHBondContact O-CB 3.35Å; L106-E109 PolarHBondContact O-N 2.93Å; L106-E109 VanDerWaalsContact O-N 3.09Å; E107-E109 PolarHBondContact O-N 3.15Å; E109-P112 WeakPolarHBondContact O-CD 3.48Å |
| 110 | L | 91.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -79 | -28.8 | -179.6 | -64.1 | -177.1 | 0 | 0 | 0 | 113.5 | Y8 L9 Q12 V22 L106 E107 L113 I114 | Y8-L110 HydrophobicContact CE1-CD2 3.81Å; L9-L110 HydrophobicContact CD2-CD1 4.11Å; L9-L110 HydrophobicContact CD2-CD2 3.71Å; L9-L110 HydrophobicContact CD2-CG 4.48Å; Q12-L110 HydrophobicContact CG-CD2 4.25Å; V22-L110 HydrophobicContact CG1-CD1 4.33Å; L106-L110 HydrophobicContact CD1-CD1 4.24Å; L106-L110 HydrophobicContact CD1-CD2 4.46Å; L106-L110 HydrophobicContact CD1-CG 4.1Å; L106-L110 HydrophobicContact CD2-CD1 4.36Å; L106-L110 HydrophobicContact CG-CD1 3.91Å; L106-L110 HydrophobicContact CG-CG 4.17Å; L106-L110 WeakPolarHBondContact O-CG 3.34Å; L106-L110 PolarHBondContact O-N 2.93Å; E107-L110 PolarHBondContact O-N 3.33Å; E107-L110 VanDerWaalsContact O-N 3.15Å; L110-L113 WeakPolarHBondContact O-CB 3.47Å; L110-L113 PolarHBondContact O-N 2.76Å; L110-L113 VanDerWaalsContact O-N 3.09Å; L110-I114 HydrophobicContact CB-CD1 3.89Å; L110-I114 WeakPolarHBondContact O-CG1 3.43Å; L110-I114 PolarHBondContact O-N 2.95Å |
| 111 | A | 90.1 | Very high | 89.8 | Confident | 13 Ų | 13 | 61.4 Ų | 61.4 | 11% | 0.107 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.1 | -48 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E107 L113 I114 E115 | E107-A111 WeakPolarHBondContact O-CB 3.2Å; E107-A111 PolarHBondContact O-N 2.92Å; A111-L113 VanDerWaalsContact C-N 3.25Å; A111-L113 PolarHBondContact O-N 3.09Å; A111-I114 PolarHBondContact O-N 3.01Å; A111-I114 VanDerWaalsContact O-N 3.13Å; A111-E115 WeakPolarHBondContact O-CG 3.45Å; A111-E115 PolarHBondContact O-N 3.49Å |
| 112 | P | 90.1 | Very high | 88.6 | Confident | 86 Ų | 86 | 64.7 Ų | 64.7 | 56% | 0.558 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -60.8 | -33.4 | 178.7 | -22.3 | 33.9 | 0 | 0 | 0 | 113.6 | K108 E109 N116 | K108-P112 WeakPolarHBondContact O-CD 3.45Å; E109-P112 WeakPolarHBondContact O-CD 3.48Å; P112-N116 PolarHBondContact O-ND2 3.26Å |
| 113 | L | 88.1 | Confident | 86.6 | Confident | 67 Ų | 67 | 67 Ų | 67 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -71.5 | -40.3 | 177.4 | -67.4 | 167.1 | 0 | 0 | 0 | 111.1 | Y8 L110 A111 | Y8-L113 HydrophobicContact CD1-CD1 4.21Å; Y8-L113 HydrophobicContact CE1-CD1 3.47Å; Y8-L113 VanDerWaalsContact CE1-CD1 3.47Å; L110-L113 WeakPolarHBondContact O-CB 3.47Å; L110-L113 PolarHBondContact O-N 2.76Å; L110-L113 VanDerWaalsContact O-N 3.09Å; A111-L113 VanDerWaalsContact C-N 3.25Å; A111-L113 PolarHBondContact O-N 3.09Å |
| 114 | I | 86.4 | Confident | 84 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.005 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -73.5 | -28.1 | -178.1 | -67.4 | 167.4 | 0 | 0 | 0 | 111.5 | V24 L88 I90 L110 A111 N116 L117 | V24-I114 HydrophobicContact CG1-CG2 3.84Å; V24-I114 HydrophobicContact CG2-CD1 3.8Å; V24-I114 HydrophobicContact CG2-CG1 4.14Å; V24-I114 HydrophobicContact CG2-CG2 4.12Å; L88-I114 HydrophobicContact CD1-CG2 3.84Å; I90-I114 HydrophobicContact CD1-CB 4.27Å; I90-I114 HydrophobicContact CD1-CD1 3.52Å; I90-I114 HydrophobicContact CD1-CG1 4.49Å; I90-I114 HydrophobicContact CD1-CG2 4.03Å; I90-I114 HydrophobicContact CG1-CD1 3.92Å; I90-I114 HydrophobicContact CG1-CG2 4.11Å; I90-I114 HydrophobicContact CG2-CD1 4.3Å; L110-I114 HydrophobicContact CB-CD1 3.89Å; L110-I114 WeakPolarHBondContact O-CG1 3.43Å; L110-I114 PolarHBondContact O-N 2.95Å; A111-I114 PolarHBondContact O-N 3.01Å; A111-I114 VanDerWaalsContact O-N 3.13Å; I114-N116 PolarHBondContact O-N 3.45Å; I114-L117 HydrophobicContact CG2-CD1 4.49Å; I114-L117 WeakPolarHBondContact O-CA 3.48Å; I114-L117 WeakPolarHBondContact O-CB 3.4Å; I114-L117 PolarHBondContact O-N 3.35Å |
| 115 | E | 85.1 | Confident | 83.4 | Confident | 59 Ų | 59 | 77.1 Ų | 77.1 | 28% | 0.276 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.6 | -26 | 176.9 | -70.1 | -61.5 | -128.7 | 0 | 0 | 113.8 | A111 L117 R118 | A111-E115 WeakPolarHBondContact O-CG 3.45Å; A111-E115 PolarHBondContact O-N 3.49Å; E115-L117 PolarHBondContact O-N 3.19Å; E115-R118 WeakPolarHBondContact O-CB 3.48Å; E115-R118 PolarHBondContact O-N 3.08Å; E115-R118 VanDerWaalsContact O-N 3.13Å; E115-R118 IonicContact OE1-CZ 2.67Å; E115-R118 VanDerWaalsContact OE1-CZ 3.29Å; E115-R118 IonicContact OE1-NE 3.03Å; E115-R118 IonicContact OE1-NH1 2.93Å; E115-R118 PolarHBondContact OE1-NH1 3.49Å; E115-R118 IonicContact OE1-NH2 3.97Å; E115-R118 WeakPolarHBondContact OE2-CD 3.15Å; E115-R118 WeakPolarHBondContact OE2-CG 3.42Å; E115-R118 IonicContact OE2-CZ 4Å; E115-R118 IonicContact OE2-NE 2.88Å; E115-R118 PolarHBondContact OE2-NE 3.13Å; E115-R118 IonicContact OE2-NH1 2.87Å |
| 116 | N | 83.9 | Confident | 82.6 | Confident | 108 Ų | 108 | 78.2 Ų | 78.2 | 58% | 0.578 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.6 | 171.2 | -61 | -45.1 | 0 | 0 | 0 | 112.6 | P112 I114 | P112-N116 PolarHBondContact O-ND2 3.26Å; I114-N116 PolarHBondContact O-N 3.45Å |
| 117 | L | 83.8 | Confident | 81.8 | Confident | 28 Ų | 28 | 82.2 Ų | 82.2 | 15% | 0.147 | 43% | 0.434 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -10.4 | 176.8 | -56.2 | 179.5 | 0 | 0 | 0 | 113.2 | L5 V32 I33 L88 I114 E115 Q119 V120 | L5-L117 HydrophobicContact CD2-CD1 3.79Å; L5-L117 HydrophobicContact CD2-CD2 3.86Å; L5-L117 HydrophobicContact CD2-CG 4.12Å; V32-L117 HydrophobicContact CG1-CB 4.4Å; V32-L117 HydrophobicContact CG1-CD1 4.36Å; I33-L117 HydrophobicContact CG2-CD1 3.83Å; L88-L117 HydrophobicContact CD1-CB 4.1Å; I114-L117 HydrophobicContact CG2-CD1 4.49Å; I114-L117 WeakPolarHBondContact O-CA 3.48Å; I114-L117 WeakPolarHBondContact O-CB 3.4Å; I114-L117 PolarHBondContact O-N 3.35Å; E115-L117 PolarHBondContact O-N 3.19Å; L117-Q119 PolarHBondContact O-N 3.46Å; L117-V120 VanDerWaalsContact O-CB 3.32Å; L117-V120 WeakPolarHBondContact O-CB 3.4Å; L117-V120 PolarHBondContact O-N 2.94Å |
| 118 | R | 83.6 | Confident | 81 | Confident | 82 Ų | 82 | 86.8 Ų | 86.8 | 31% | 0.309 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -56.8 | -37.7 | 179.9 | -82.7 | 178.7 | 137.6 | 171.6 | -11.8 | 112.7 | L86 L88 E115 V120 V121 E122 | L86-R118 PolarHBondContact O-NH2 2.82Å; L88-R118 HydrophobicContact CD1-CG 3.81Å; L88-R118 HydrophobicContact CG-CG 4.15Å; E115-R118 WeakPolarHBondContact O-CB 3.48Å; E115-R118 PolarHBondContact O-N 3.08Å; E115-R118 VanDerWaalsContact O-N 3.13Å; E115-R118 IonicContact OE1-CZ 2.67Å; E115-R118 VanDerWaalsContact OE1-CZ 3.29Å; E115-R118 IonicContact OE1-NE 3.03Å; E115-R118 IonicContact OE1-NH1 2.93Å; E115-R118 PolarHBondContact OE1-NH1 3.49Å; E115-R118 IonicContact OE1-NH2 3.97Å; E115-R118 WeakPolarHBondContact OE2-CD 3.15Å; E115-R118 WeakPolarHBondContact OE2-CG 3.42Å; E115-R118 IonicContact OE2-CZ 4Å; E115-R118 IonicContact OE2-NE 2.88Å; E115-R118 PolarHBondContact OE2-NE 3.13Å; E115-R118 IonicContact OE2-NH1 2.87Å; R118-V120 PolarHBondContact O-N 3.22Å; R118-V120 VanDerWaalsContact O-N 3.08Å; R118-V121 PolarHBondContact O-N 3.35Å; R118-E122 PolarHBondContact O-N 2.87Å |
| 119 | Q | 80.6 | Confident | 80.2 | Confident | 166 Ų | 166 | 83.1 Ų | 83.1 | 78% | 0.776 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.8 | -20.4 | 178 | -64.2 | -177.7 | -13.2 | 0 | 0 | 113.6 | L117 V121 | L117-Q119 PolarHBondContact O-N 3.46Å; Q119-V121 VanDerWaalsContact C-N 3.33Å |
| 120 | V | 76.3 | Confident | 79.3 | Confident | 106 Ų | 106 | 80.4 Ų | 80.4 | 64% | 0.642 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -76.2 | -26 | 177.8 | -175.8 | 0 | 0 | 0 | 0 | 111.4 | V32 L117 R118 | V32-V120 HydrophobicContact CG1-CB 4.46Å; V32-V120 HydrophobicContact CG1-CG1 4.3Å; L117-V120 VanDerWaalsContact O-CB 3.32Å; L117-V120 WeakPolarHBondContact O-CB 3.4Å; L117-V120 PolarHBondContact O-N 2.94Å; R118-V120 PolarHBondContact O-N 3.22Å; R118-V120 VanDerWaalsContact O-N 3.08Å |
| 121 | V | 75.4 | Confident | 78.4 | Confident | 42 Ų | 42 | 86.1 Ų | 86.1 | 26% | 0.255 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -104.5 | -28.4 | -177 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | D26 V32 P87 L88 R118 Q119 V123 | D26-V121 HydrophobicContact CB-CG1 3.91Å; V32-V121 HydrophobicContact CG2-CG2 3.54Å; P87-V121 HydrophobicContact CB-CG1 4.16Å; P87-V121 HydrophobicContact CG-CG1 4.4Å; L88-V121 HydrophobicContact CD2-CB 4.25Å; L88-V121 HydrophobicContact CD2-CG2 3.53Å; R118-V121 PolarHBondContact O-N 3.35Å; Q119-V121 VanDerWaalsContact C-N 3.33Å; V121-V123 PolarHBondContact O-N 2.67Å |
| 122 | E | 74 | Confident | 77.5 | Confident | 108 Ų | 108 | 91.8 Ų | 91.8 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | trans | -77.7 | 99.7 | 172.5 | -66.6 | -177.1 | 168 | 0 | 0 | 110 | P87 R118 | P87-E122 WeakPolarHBondContact CD-OE1 3.39Å; P87-E122 HydrophobicContact CG-CG 3.71Å; R118-E122 PolarHBondContact O-N 2.87Å | ||
| 123 | V | 56.6 | Low | 76.5 | Confident | 138 Ų | 138 | 92.3 Ų | 92.3 | 84% | 0.836 | 49% | 0.493 | S | S | * | . | trans | -68.1 | 130.2 | 163.6 | -170.8 | 0 | 0 | 0 | 0 | 107.3 | V121 | V121-V123 PolarHBondContact O-N 2.67Š| ||
| 124 | T | 44.3 | Very low | 75.4 | Confident | 202 Ų | 202 | 94.5 Ų | 94.5 | 100% | 1.239 | 51% | 0.506 | S | S | * | . | trans | -54.4 | 0 | 173.7 | -42.5 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 124 of 124 residues in 283.9 ms
(Link to these results)