| 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 | 84.6 | Confident | 89.5 | Confident | 21 Ų | 21 | 88.6 Ų | 88.6 | 10% | 0.103 | 45% | 0.447 | C | S | . | . | 0 | 114.8 | 0 | -173.8 | -175.3 | 73.8 | 0 | 0 | 108.1 | E3 G5 L7 Y38 S39 I57 M62 V64 | M1-E3 HydrophobicContact CG-CB 4.44Å; M1-G5 WeakPolarHBondContact CE-O 3.42Å; M1-L7 HydrophobicContact CB-CD1 4.17Å; M1-L7 HydrophobicContact CB-CG 4.36Å; M1-L7 HydrophobicContact SD-CD2 4.3Å; M1-Y38 WeakPolarHBondContact O-CB 3.34Å; M1-S39 PolarHBondContact N-O 2.87Å; M1-S39 PolarHBondContact O-N 2.95Å; M1-I57 HydrophobicContact CE-CD1 3.99Å; M1-I57 HydrophobicContact SD-CD1 3.7Å; M1-M62 HydrophobicContact SD-CB 3.93Å; M1-M62 HydrophobicContact SD-CE 3.76Å; M1-M62 HydrophobicContact SD-CG 4.25Å; M1-V64 HydrophobicContact CB-CG1 4.05Å; M1-V64 HydrophobicContact CG-CG1 4.43Å | |||
| 2 | T | 84.2 | Confident | 90.1 | Very high | 121 Ų | 121 | 84 Ų | 84 | 74% | 0.742 | 43% | 0.428 | S | S | * | . | trans | -87.7 | -15.1 | -177.9 | 47.3 | 0 | 0 | 0 | 0 | 113.6 | Y38 | T2-Y38 HydrophobicContact CG2-CD1 4.1Å; T2-Y38 HydrophobicContact CG2-CG 4.22Å | ||
| 3 | E | 84.1 | Confident | 90.7 | Very high | 101 Ų | 101 | 78 Ų | 78 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -72.2 | 167.1 | 172.5 | -71.2 | -166.6 | -152.7 | 0 | 0 | 113 | M1 G5 M62 | M1-E3 HydrophobicContact CG-CB 4.44Å; E3-G5 PolarHBondContact O-N 3.43Å; E3-M62 HydrophobicContact CB-CE 3.75Å; E3-M62 HydrophobicContact CG-CE 4.39Å; E3-M62 VanDerWaalsContact OE2-CE 3.31Å; E3-M62 WeakPolarHBondContact OE2-CE 3.11Å |
| 4 | K | 81.4 | Confident | 91.1 | Very high | 207 Ų | 207 | 79.1 Ų | 79.1 | 90% | 0.9 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -62.8 | 130.7 | 175.2 | -69.1 | -172.7 | -180 | -179 | 0 | 110.8 | ||
| 5 | G | 84.8 | Confident | 91.6 | Very high | 35 Ų | 35 | 74.7 Ų | 74.7 | 36% | 0.361 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 138.9 | 163.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | M1 E3 S39 | M1-G5 WeakPolarHBondContact CE-O 3.42Å; E3-G5 PolarHBondContact O-N 3.43Å; G5-S39 WeakPolarHBondContact O-CB 3.34Å; G5-S39 PolarHBondContact O-OG 3.1Å |
| 6 | V | 89.5 | Confident | 91.9 | Very high | 73 Ų | 73 | 75.4 Ų | 75.4 | 44% | 0.442 | 38% | 0.382 | S | S | . | . | trans | -115.4 | 125.7 | -180 | -176.8 | 0 | 0 | 0 | 0 | 108.9 | R8 S39 | V6-R8 PolarHBondContact O-N 2.8Å; V6-S39 WeakPolarHBondContact CA-OG 3.48Å | ||
| 7 | L | 94.1 | Very high | 92.2 | Very high | 8 Ų | 8 | 72.2 Ų | 72.2 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | trans | -69.9 | 125.9 | 169.5 | -65.3 | 173.7 | 0 | 0 | 0 | 107.8 | M1 I27 G30 A41 V55 I57 V64 | M1-L7 HydrophobicContact CB-CD1 4.17Å; M1-L7 HydrophobicContact CB-CG 4.36Å; M1-L7 HydrophobicContact SD-CD2 4.3Å; L7-I27 HydrophobicContact CB-CD1 4.18Å; L7-I27 HydrophobicContact CD2-CD1 4.02Å; L7-G30 CarbonylContact O-C 3.56Å; L7-G30 VanDerWaalsContact O-CA 3.23Å; L7-G30 WeakPolarHBondContact O-CA 3.48Å; L7-A41 HydrophobicContact CB-CB 3.98Å; L7-A41 HydrophobicContact CD1-CB 3.72Å; L7-A41 HydrophobicContact CG-CB 4.47Å; L7-V55 HydrophobicContact CD2-CB 4.21Å; L7-V55 HydrophobicContact CD2-CG1 3.95Å; L7-V55 HydrophobicContact CD2-CG2 4.21Å; L7-I57 HydrophobicContact CD2-CD1 4.19Å; L7-V64 HydrophobicContact CD2-CG1 4.39Å | ||
| 8 | R | 94 | Very high | 92.3 | Very high | 140 Ų | 140 | 73.8 Ų | 73.8 | 53% | 0.528 | 39% | 0.392 | S | S | . | . | trans | -113.8 | 160.6 | -177.2 | -66.7 | -175.5 | -68.1 | 139.6 | 3.5 | 110.5 | V6 L11 I27 | V6-R8 PolarHBondContact O-N 2.8Å; R8-L11 HydrophobicContact CB-CD1 4.07Å; R8-L11 HydrophobicContact CB-CG 4.18Å; R8-L11 WeakPolarHBondContact O-CG 3.32Å; R8-I27 WeakPolarHBondContact O-CG2 3.34Å | ||
| 9 | N | 96 | Very high | 92.5 | Very high | 93 Ų | 93 | 77.6 Ų | 77.6 | 50% | 0.497 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 150.2 | 173.6 | -57.9 | 0.4 | 0 | 0 | 0 | 110.3 | L11 S29 G30 | N9-L11 PolarHBondContact O-N 2.92Å; N9-L11 VanDerWaalsContact O-N 3.12Å; N9-S29 VanDerWaalsContact OD1-CA 3.31Å; N9-S29 WeakPolarHBondContact OD1-CA 3.31Å; N9-G30 PolarHBondContact OD1-N 2.85Å |
| 10 | E | 96.5 | Very high | 92.6 | Very high | 158 Ų | 158 | 76.3 Ų | 76.3 | 74% | 0.738 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 4.4 | 176.5 | -54.2 | -179.9 | 163.6 | 0 | 0 | 115.7 | I26 I27 | E10-I26 HydrophobicContact CB-CD1 4.29Å; E10-I27 PolarHBondContact N-O 2.92Å |
| 11 | L | 95.7 | Very high | 92.7 | Very high | 18 Ų | 18 | 77 Ų | 77 | 9% | 0.094 | 42% | 0.417 | C | S | . | . | trans | -67.5 | 132.6 | 173 | -68.8 | -177.2 | 0 | 0 | 0 | 110.8 | R8 N9 I27 V55 I57 | R8-L11 HydrophobicContact CB-CD1 4.07Å; R8-L11 HydrophobicContact CB-CG 4.18Å; R8-L11 WeakPolarHBondContact O-CG 3.32Å; N9-L11 PolarHBondContact O-N 2.92Å; N9-L11 VanDerWaalsContact O-N 3.12Å; L11-I27 HydrophobicContact CB-CB 4.47Å; L11-I27 HydrophobicContact CB-CD1 3.95Å; L11-I27 PolarHBondContact O-N 2.95Å; L11-V55 HydrophobicContact CB-CG1 3.9Å; L11-V55 HydrophobicContact CD1-CG1 3.96Å; L11-I57 HydrophobicContact CD1-CG1 4.28Å | ||
| 12 | P | 96.4 | Very high | 93.3 | Very high | 33 Ų | 33 | 84.2 Ų | 84.2 | 21% | 0.214 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 139.3 | 175 | -21.5 | 32.6 | 0 | 0 | 0 | 112.1 | E24 G25 | P12-E24 HydrophobicContact CB-CG 4.11Å; P12-G25 WeakPolarHBondContact CA-O 3.43Å |
| 13 | V | 97.2 | Very high | 93.9 | Very high | 6 Ų | 6 | 80.8 Ų | 80.8 | 4% | 0.036 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 114.6 | 173.2 | -172.7 | 0 | 0 | 0 | 0 | 108.4 | E24 G25 I27 A43 V45 A53 I54 V55 | V13-E24 CarbonylContact O-C 3.55Å; V13-E24 WeakPolarHBondContact O-CA 3.25Å; V13-G25 PolarHBondContact N-O 2.9Å; V13-G25 PolarHBondContact O-N 3.42Å; V13-I27 HydrophobicContact CG2-CD1 4.27Å; V13-I27 HydrophobicContact CG2-CG1 3.67Å; V13-A43 HydrophobicContact CG2-CB 4.02Å; V13-V45 HydrophobicContact CB-CG1 4.29Å; V13-V45 HydrophobicContact CG1-CG1 4.23Å; V13-A53 HydrophobicContact CG1-CB 3.72Å; V13-I54 CarbonylContact C-O 3.5Å; V13-I54 WeakPolarHBondContact CA-O 3.27Å; V13-V55 HydrophobicContact CG1-CG2 4.47Å; V13-V55 HydrophobicContact CG2-CG2 4.2Å |
| 14 | R | 97.3 | Very high | 94.6 | Very high | 94 Ų | 94 | 81.2 Ų | 81.2 | 36% | 0.355 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 140.8 | -177.6 | -66.6 | -179.7 | 178.4 | 154.5 | 2.8 | 111.4 | H23 E24 I54 | R14-H23 WeakPolarHBondContact CA-O 3.47Å; R14-E24 HydrophobicContact CG-CG 4.19Å; R14-E24 IonicContact CZ-OE2 3.35Å; R14-E24 IonicContact NE-OE2 2.8Å; R14-E24 PolarHBondContact NE-OE2 3.5Å; R14-E24 IonicContact NH2-OE2 2.97Å; R14-E24 PolarHBondContact NH2-OE2 3.14Å; R14-I54 PolarHBondContact N-O 2.82Å; R14-I54 PolarHBondContact O-N 3.45Å |
| 15 | F | 97.7 | Very high | 95.4 | Very high | 13 Ų | 13 | 71.9 Ų | 71.9 | 6% | 0.057 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 163.4 | 171 | 65.2 | -83.7 | 0 | 0 | 0 | 109.9 | H23 V45 P46 I49 A53 | F15-H23 HydrophobicContact CD1-CB 4.13Å; F15-H23 HydrophobicContact CD2-CB 4.24Å; F15-H23 HydrophobicContact CE1-CB 3.62Å; F15-H23 HydrophobicContact CE2-CB 3.74Å; F15-H23 AromaticContact CE2-CD2 3.8Å; F15-H23 AromaticContact CE2-CG 3.97Å; F15-H23 HydrophobicContact CG-CB 4.42Å; F15-H23 HydrophobicContact CZ-CB 3.42Å; F15-H23 VanDerWaalsContact CZ-CB 3.42Å; F15-H23 AromaticContact CZ-CG 3.91Å; F15-H23 PolarHBondContact N-O 2.77Å; F15-H23 VanDerWaalsContact N-O 3.14Å; F15-H23 PolarHBondContact O-N 2.97Å; F15-V45 HydrophobicContact CE1-CB 4.02Å; F15-V45 HydrophobicContact CE1-CG1 4.44Å; F15-P46 HydrophobicContact CZ-CB 4.22Å; F15-P46 WeakPolarHBondContact CZ-O 3.28Å; F15-I49 HydrophobicContact CB-CG1 4.41Å; F15-I49 HydrophobicContact CD1-CB 4.3Å; F15-I49 HydrophobicContact CD1-CD1 3.83Å; F15-I49 HydrophobicContact CD1-CG1 3.84Å; F15-I49 HydrophobicContact CD2-CB 4.1Å; F15-I49 HydrophobicContact CD2-CG1 4.05Å; F15-I49 HydrophobicContact CE1-CB 4.03Å; F15-I49 HydrophobicContact CE1-CD1 4.02Å; F15-I49 HydrophobicContact CE1-CG1 4.05Å; F15-I49 VanDerWaalsContact CE2-CA 3.43Å; F15-I49 HydrophobicContact CE2-CB 3.83Å; F15-I49 HydrophobicContact CE2-CG1 4.25Å; F15-I49 HydrophobicContact CG-CB 4.33Å; F15-I49 HydrophobicContact CG-CD1 4.29Å; F15-I49 HydrophobicContact CG-CG1 3.83Å; F15-I49 HydrophobicContact CZ-CB 3.77Å; F15-I49 HydrophobicContact CZ-CG1 4.24Å; F15-A53 HydrophobicContact CB-CB 4.27Å |
| 16 | T | 96.9 | Very high | 96 | Very high | 85 Ų | 85 | 73 Ų | 73 | 52% | 0.521 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.4 | 172.9 | -53.5 | 0 | 0 | 0 | 0 | 108.1 | G20 N21 | T16-G20 VanDerWaalsContact CG2-C 3.47Å; T16-N21 WeakPolarHBondContact CA-O 3.26Å |
| 17 | D | 96.3 | Very high | 96.4 | Very high | 21 Ų | 21 | 69.7 Ų | 69.7 | 11% | 0.112 | 37% | 0.367 | C | S | . | . | trans | -74.9 | 177.8 | 177.1 | 69.5 | 17.7 | 0 | 0 | 0 | 112.3 | Q19 G20 N21 H23 | D17-Q19 VanDerWaalsContact CG-OE1 3.31Å; D17-Q19 PolarHBondContact O-N 2.87Å; D17-Q19 WeakPolarHBondContact OD1-CA 3.48Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.35Å; D17-Q19 PolarHBondContact OD1-N 3.12Å; D17-Q19 PolarHBondContact OD1-OE1 3.21Å; D17-G20 PolarHBondContact O-N 2.97Å; D17-G20 VanDerWaalsContact O-N 3.12Å; D17-G20 PolarHBondContact OD1-N 2.79Å; D17-N21 PolarHBondContact N-O 2.93Å; D17-N21 PolarHBondContact OD1-N 2.89Å; D17-N21 PolarHBondContact OD1-ND2 2.8Å; D17-N21 WeakPolarHBondContact OD2-CB 3.42Å; D17-N21 PolarHBondContact OD2-ND2 3.31Å; D17-H23 IonicContact OD2-CD2 3.62Å; D17-H23 IonicContact OD2-CE1 3.85Å; D17-H23 IonicContact OD2-NE2 2.79Å; D17-H23 PolarHBondContact OD2-NE2 2.8Å | ||
| 18 | A | 94.8 | Very high | 96.6 | Very high | 101 Ų | 101 | 72.5 Ų | 72.5 | 84% | 0.835 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 19 | Q | 95.1 | Very high | 96.7 | Very high | 146 Ų | 146 | 69 Ų | 69 | 68% | 0.682 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -4.1 | 178.5 | -64 | 76 | 19.2 | 0 | 0 | 112.2 | D17 | D17-Q19 VanDerWaalsContact CG-OE1 3.31Å; D17-Q19 PolarHBondContact O-N 2.87Å; D17-Q19 WeakPolarHBondContact OD1-CA 3.48Å; D17-Q19 WeakPolarHBondContact OD1-CB 3.35Å; D17-Q19 PolarHBondContact OD1-N 3.12Å; D17-Q19 PolarHBondContact OD1-OE1 3.21Å |
| 20 | G | 94.6 | Very high | 96.7 | Very high | 52 Ų | 52 | 65.5 Ų | 65.5 | 54% | 0.536 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 87.9 | 6.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T16 D17 | T16-G20 VanDerWaalsContact CG2-C 3.47Å; D17-G20 PolarHBondContact O-N 2.97Å; D17-G20 VanDerWaalsContact O-N 3.12Å; D17-G20 PolarHBondContact OD1-N 2.79Å |
| 21 | N | 96.4 | Very high | 96.7 | Very high | 90 Ų | 90 | 61.9 Ų | 61.9 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | trans | -80.7 | 137.3 | 177.4 | -47.6 | -63.3 | 0 | 0 | 0 | 110.6 | T16 D17 H23 | T16-N21 WeakPolarHBondContact CA-O 3.26Å; D17-N21 PolarHBondContact N-O 2.93Å; D17-N21 PolarHBondContact OD1-N 2.89Å; D17-N21 PolarHBondContact OD1-ND2 2.8Å; D17-N21 WeakPolarHBondContact OD2-CB 3.42Å; D17-N21 PolarHBondContact OD2-ND2 3.31Å; N21-H23 PolarHBondContact O-CD2 3.14Å; N21-H23 VanDerWaalsContact O-CD2 3.31Å | ||
| 22 | Q | 96.5 | Very high | 96.7 | Very high | 173 Ų | 173 | 65.7 Ų | 65.7 | 81% | 0.808 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 133.8 | 173.8 | -71.1 | -176 | -26.2 | 0 | 0 | 110.7 | ||
| 23 | H | 97.7 | Very high | 96.7 | Very high | 50 Ų | 50 | 64.6 Ų | 64.6 | 23% | 0.231 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 146.4 | 178.2 | -68.1 | -77.4 | 0 | 0 | 0 | 110.6 | R14 F15 D17 N21 P46 | R14-H23 WeakPolarHBondContact CA-O 3.47Å; F15-H23 HydrophobicContact CD1-CB 4.13Å; F15-H23 HydrophobicContact CD2-CB 4.24Å; F15-H23 HydrophobicContact CE1-CB 3.62Å; F15-H23 HydrophobicContact CE2-CB 3.74Å; F15-H23 AromaticContact CE2-CD2 3.8Å; F15-H23 AromaticContact CE2-CG 3.97Å; F15-H23 HydrophobicContact CG-CB 4.42Å; F15-H23 HydrophobicContact CZ-CB 3.42Å; F15-H23 VanDerWaalsContact CZ-CB 3.42Å; F15-H23 AromaticContact CZ-CG 3.91Å; F15-H23 PolarHBondContact N-O 2.77Å; F15-H23 VanDerWaalsContact N-O 3.14Å; F15-H23 PolarHBondContact O-N 2.97Å; D17-H23 IonicContact OD2-CD2 3.62Å; D17-H23 IonicContact OD2-CE1 3.85Å; D17-H23 IonicContact OD2-NE2 2.79Å; D17-H23 PolarHBondContact OD2-NE2 2.8Å; N21-H23 PolarHBondContact O-CD2 3.14Å; N21-H23 VanDerWaalsContact O-CD2 3.31Å; H23-P46 HydrophobicContact CB-CB 4.29Å; H23-P46 HydrophobicContact CB-CG 4.09Å |
| 24 | E | 97.7 | Very high | 96.6 | Very high | 109 Ų | 109 | 69.9 Ų | 69.9 | 51% | 0.509 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 125.4 | 174.8 | -168.9 | 170.1 | 112.8 | 0 | 0 | 110 | P12 V13 R14 | P12-E24 HydrophobicContact CB-CG 4.11Å; V13-E24 CarbonylContact O-C 3.55Å; V13-E24 WeakPolarHBondContact O-CA 3.25Å; R14-E24 HydrophobicContact CG-CG 4.19Å; R14-E24 IonicContact CZ-OE2 3.35Å; R14-E24 IonicContact NE-OE2 2.8Å; R14-E24 PolarHBondContact NE-OE2 3.5Å; R14-E24 IonicContact NH2-OE2 2.97Å; R14-E24 PolarHBondContact NH2-OE2 3.14Å |
| 25 | G | 97.5 | Very high | 96.5 | Very high | 11 Ų | 11 | 69.6 Ų | 69.6 | 11% | 0.113 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | -168.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | P12 V13 R44 | P12-G25 WeakPolarHBondContact CA-O 3.43Å; V13-G25 PolarHBondContact N-O 2.9Å; V13-G25 PolarHBondContact O-N 3.42Å; G25-R44 CarbonylContact C-O 3.56Å; G25-R44 VanDerWaalsContact CA-O 3.27Å; G25-R44 WeakPolarHBondContact CA-O 3.3Å |
| 26 | I | 97.8 | Very high | 96.3 | Very high | 60 Ų | 60 | 70.3 Ų | 70.3 | 31% | 0.308 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 137.5 | -173.3 | -164.3 | 167.3 | 0 | 0 | 0 | 111.7 | E10 T28 A43 R44 | E10-I26 HydrophobicContact CB-CD1 4.29Å; I26-T28 PolarHBondContact O-N 2.91Å; I26-A43 CarbonylContact O-C 3.57Å; I26-A43 VanDerWaalsContact O-CA 3.25Å; I26-A43 WeakPolarHBondContact O-CA 3.48Å; I26-A43 WeakPolarHBondContact O-CB 3.39Å; I26-R44 HydrophobicContact CG2-CB 4.47Å; I26-R44 PolarHBondContact N-O 3.05Å; I26-R44 PolarHBondContact O-N 2.91Å |
| 27 | I | 97.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.015 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 123.1 | 168.5 | -72.1 | 169.7 | 0 | 0 | 0 | 109.1 | L7 R8 E10 L11 V13 A41 A43 V55 | L7-I27 HydrophobicContact CB-CD1 4.18Å; L7-I27 HydrophobicContact CD2-CD1 4.02Å; R8-I27 WeakPolarHBondContact O-CG2 3.34Å; E10-I27 PolarHBondContact N-O 2.92Å; L11-I27 HydrophobicContact CB-CB 4.47Å; L11-I27 HydrophobicContact CB-CD1 3.95Å; L11-I27 PolarHBondContact O-N 2.95Å; V13-I27 HydrophobicContact CG2-CD1 4.27Å; V13-I27 HydrophobicContact CG2-CG1 3.67Å; I27-A41 HydrophobicContact CD1-CB 4Å; I27-A41 HydrophobicContact CG1-CB 4.04Å; I27-A41 HydrophobicContact CG2-CB 3.83Å; I27-A43 HydrophobicContact CG1-CB 4.26Å; I27-V55 HydrophobicContact CD1-CG1 3.91Å; I27-V55 HydrophobicContact CD1-CG2 4.12Å |
| 28 | T | 98.1 | Very high | 96.1 | Very high | 66 Ų | 66 | 71.7 Ų | 71.7 | 41% | 0.405 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -38.5 | 175.8 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | I26 L42 R44 | I26-T28 PolarHBondContact O-N 2.91Å; T28-L42 PolarHBondContact N-O 2.78Å; T28-L42 PolarHBondContact OG1-O 2.98Å; T28-L42 VanDerWaalsContact OG1-O 3.14Å; T28-R44 HydrophobicContact CG2-CB 4.25Å |
| 29 | S | 97.1 | Very high | 96.2 | Very high | 66 Ų | 66 | 67 Ų | 67 | 46% | 0.462 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 120.8 | -179.2 | -54.1 | 0 | 0 | 0 | 0 | 110 | N9 A41 L42 | N9-S29 VanDerWaalsContact OD1-CA 3.31Å; N9-S29 WeakPolarHBondContact OD1-CA 3.31Å; S29-A41 CarbonylContact O-C 3.16Å; S29-A41 WeakPolarHBondContact O-CA 3.31Å; S29-L42 PolarHBondContact N-O 2.82Å; S29-L42 PolarHBondContact O-N 3.46Å |
| 30 | G | 96.3 | Very high | 96.2 | Very high | 21 Ų | 21 | 61.3 Ų | 61.3 | 22% | 0.216 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 143.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L7 N9 I40 | L7-G30 CarbonylContact O-C 3.56Å; L7-G30 VanDerWaalsContact O-CA 3.23Å; L7-G30 WeakPolarHBondContact O-CA 3.48Å; N9-G30 PolarHBondContact OD1-N 2.85Å; G30-I40 WeakPolarHBondContact CA-O 3.31Å |
| 31 | T | 96.3 | Very high | 96.4 | Very high | 81 Ų | 81 | 60 Ų | 60 | 50% | 0.497 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 165.1 | 177.2 | -168.3 | 0 | 0 | 0 | 0 | 112 | S39 I40 | T31-S39 WeakPolarHBondContact O-CA 3.2Å; T31-I40 HydrophobicContact CG2-CD1 4.22Å; T31-I40 HydrophobicContact CG2-CG1 3.93Å; T31-I40 PolarHBondContact N-O 2.78Å; T31-I40 PolarHBondContact O-N 2.85Å; T31-I40 VanDerWaalsContact O-O 3.06Å |
| 32 | F | 95.9 | Very high | 96.5 | Very high | 99 Ų | 99 | 59.1 Ų | 59.1 | 43% | 0.434 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 125.8 | 164.6 | -174.6 | -91.4 | 0 | 0 | 0 | 109 | P34 G37 | F32-P34 VanDerWaalsContact O-CD 3.28Å; F32-P34 WeakPolarHBondContact O-CD 3.35Å; F32-G37 WeakPolarHBondContact CZ-O 3.38Å |
| 33 | S | 95.1 | Very high | 96.6 | Very high | 9 Ų | 9 | 53.1 Ų | 53.1 | 6% | 0.063 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 112.7 | 177.3 | 179 | 0 | 0 | 0 | 0 | 110.5 | T35 L36 G37 Y38 | S33-T35 VanDerWaalsContact C-N 3.28Å; S33-T35 PolarHBondContact O-N 3.12Å; S33-L36 PolarHBondContact O-N 3.32Å; S33-L36 WeakPolarHBondContact OG-CG 3.18Å; S33-L36 PolarHBondContact OG-N 2.85Å; S33-G37 PolarHBondContact O-N 3.24Å; S33-Y38 WeakPolarHBondContact CB-O 3.23Å; S33-Y38 PolarHBondContact N-O 2.9Å |
| 34 | P | 95 | Very high | 96.6 | Very high | 117 Ų | 117 | 59.2 Ų | 59.2 | 76% | 0.76 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -33.5 | 177.2 | -20.6 | 34.5 | 0 | 0 | 0 | 112.3 | F32 | F32-P34 VanDerWaalsContact O-CD 3.28Å; F32-P34 WeakPolarHBondContact O-CD 3.35Å |
| 35 | T | 95.4 | Very high | 96.6 | Very high | 88 Ų | 88 | 56.3 Ų | 56.3 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -36.3 | 178.8 | -49.8 | 0 | 0 | 0 | 0 | 112.5 | S33 V72 | S33-T35 VanDerWaalsContact C-N 3.28Å; S33-T35 PolarHBondContact O-N 3.12Å; T35-V72 HydrophobicContact CG2-CG1 4.18Å; T35-V72 HydrophobicContact CG2-CG2 4.05Å |
| 36 | L | 94.5 | Very high | 96.6 | Very high | 28 Ų | 28 | 58 Ų | 58 | 15% | 0.147 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -18 | -177.4 | -60.3 | 175.8 | 0 | 0 | 0 | 113.2 | S33 Y38 I40 F71 V72 A77 | S33-L36 PolarHBondContact O-N 3.32Å; S33-L36 WeakPolarHBondContact OG-CG 3.18Å; S33-L36 PolarHBondContact OG-N 2.85Å; L36-Y38 VanDerWaalsContact C-N 3.31Å; L36-Y38 HydrophobicContact CB-CD1 4.12Å; L36-Y38 HydrophobicContact CB-CD2 4.26Å; L36-Y38 HydrophobicContact CB-CE1 3.73Å; L36-Y38 HydrophobicContact CB-CE2 3.87Å; L36-Y38 HydrophobicContact CB-CG 4.37Å; L36-Y38 HydrophobicContact CD1-CE2 3.88Å; L36-Y38 HydrophobicContact CG-CE2 4.48Å; L36-Y38 WeakPolarHBondContact O-CD1 3.49Å; L36-Y38 VanDerWaalsContact O-CE1 3.3Å; L36-Y38 WeakPolarHBondContact O-CE1 3.47Å; L36-Y38 PolarHBondContact O-N 3.45Å; L36-I40 HydrophobicContact CD1-CG2 4.09Å; L36-F71 HydrophobicContact CD1-CB 3.95Å; L36-V72 HydrophobicContact CD1-CG2 4.19Å; L36-V72 HydrophobicContact CD2-CG2 4.16Å; L36-V72 HydrophobicContact CG-CG2 4.02Å; L36-A77 HydrophobicContact CD2-CB 3.49Å; L36-A77 VanDerWaalsContact CD2-CB 3.49Å |
| 37 | G | 93.6 | Very high | 96.5 | Very high | 50 Ų | 50 | 64.1 Ų | 64.1 | 52% | 0.515 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 15.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | F32 S33 | F32-G37 WeakPolarHBondContact CZ-O 3.38Å; S33-G37 PolarHBondContact O-N 3.24Å |
| 38 | Y | 94.8 | Very high | 96.5 | Very high | 86 Ų | 86 | 66.4 Ų | 66.4 | 34% | 0.337 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 169.2 | 180 | 55.2 | -107.6 | 0 | 0 | 0 | 113.3 | M1 T2 S33 L36 I40 | M1-Y38 WeakPolarHBondContact O-CB 3.34Å; T2-Y38 HydrophobicContact CG2-CD1 4.1Å; T2-Y38 HydrophobicContact CG2-CG 4.22Å; S33-Y38 WeakPolarHBondContact CB-O 3.23Å; S33-Y38 PolarHBondContact N-O 2.9Å; L36-Y38 VanDerWaalsContact C-N 3.31Å; L36-Y38 HydrophobicContact CB-CD1 4.12Å; L36-Y38 HydrophobicContact CB-CD2 4.26Å; L36-Y38 HydrophobicContact CB-CE1 3.73Å; L36-Y38 HydrophobicContact CB-CE2 3.87Å; L36-Y38 HydrophobicContact CB-CG 4.37Å; L36-Y38 HydrophobicContact CD1-CE2 3.88Å; L36-Y38 HydrophobicContact CG-CE2 4.48Å; L36-Y38 WeakPolarHBondContact O-CD1 3.49Å; L36-Y38 VanDerWaalsContact O-CE1 3.3Å; L36-Y38 WeakPolarHBondContact O-CE1 3.47Å; L36-Y38 PolarHBondContact O-N 3.45Å; Y38-I40 HydrophobicContact CD2-CG2 3.94Å; Y38-I40 HydrophobicContact CE2-CG2 3.8Å |
| 39 | S | 96 | Very high | 96.4 | Very high | 2 Ų | 2 | 65.7 Ų | 65.7 | 1% | 0.014 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 133.8 | -178.7 | -72.3 | 0 | 0 | 0 | 0 | 112.8 | M1 G5 V6 T31 | M1-S39 PolarHBondContact N-O 2.87Å; M1-S39 PolarHBondContact O-N 2.95Å; G5-S39 WeakPolarHBondContact O-CB 3.34Å; G5-S39 PolarHBondContact O-OG 3.1Å; V6-S39 WeakPolarHBondContact CA-OG 3.48Å; T31-S39 WeakPolarHBondContact O-CA 3.2Å |
| 40 | I | 97.1 | Very high | 96.3 | Very high | 26 Ų | 26 | 64.5 Ų | 64.5 | 13% | 0.133 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 156.6 | -180 | 59.4 | 168.3 | 0 | 0 | 0 | 110.4 | G30 T31 L36 Y38 F71 | G30-I40 WeakPolarHBondContact CA-O 3.31Å; T31-I40 HydrophobicContact CG2-CD1 4.22Å; T31-I40 HydrophobicContact CG2-CG1 3.93Å; T31-I40 PolarHBondContact N-O 2.78Å; T31-I40 PolarHBondContact O-N 2.85Å; T31-I40 VanDerWaalsContact O-O 3.06Å; L36-I40 HydrophobicContact CD1-CG2 4.09Å; Y38-I40 HydrophobicContact CD2-CG2 3.94Å; Y38-I40 HydrophobicContact CE2-CG2 3.8Å; I40-F71 HydrophobicContact CB-CD1 4.23Å; I40-F71 HydrophobicContact CB-CD2 4.43Å; I40-F71 HydrophobicContact CB-CE1 4.14Å; I40-F71 HydrophobicContact CB-CE2 4.33Å; I40-F71 HydrophobicContact CB-CG 4.38Å; I40-F71 HydrophobicContact CB-CZ 4.2Å; I40-F71 HydrophobicContact CD1-CB 4.2Å; I40-F71 HydrophobicContact CD1-CD2 3.66Å; I40-F71 HydrophobicContact CD1-CE2 4.17Å; I40-F71 HydrophobicContact CD1-CG 3.89Å; I40-F71 HydrophobicContact CG2-CD1 3.99Å; I40-F71 HydrophobicContact CG2-CE1 4.23Å; I40-F71 HydrophobicContact CG2-CG 4.32Å |
| 41 | A | 97.8 | Very high | 96.3 | Very high | 25 Ų | 25 | 70.2 Ų | 70.2 | 21% | 0.207 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 146.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L7 I27 S29 F71 | L7-A41 HydrophobicContact CB-CB 3.98Å; L7-A41 HydrophobicContact CD1-CB 3.72Å; L7-A41 HydrophobicContact CG-CB 4.47Å; I27-A41 HydrophobicContact CD1-CB 4Å; I27-A41 HydrophobicContact CG1-CB 4.04Å; I27-A41 HydrophobicContact CG2-CB 3.83Å; S29-A41 CarbonylContact O-C 3.16Å; S29-A41 WeakPolarHBondContact O-CA 3.31Å; A41-F71 WeakPolarHBondContact O-CZ 3.42Å |
| 42 | L | 98.2 | Very high | 96.3 | Very high | 71 Ų | 71 | 71.1 Ų | 71.1 | 37% | 0.372 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 137.5 | 158.7 | -66.1 | 177.9 | 0 | 0 | 0 | 108.6 | T28 S29 P69 F71 | T28-L42 PolarHBondContact N-O 2.78Å; T28-L42 PolarHBondContact OG1-O 2.98Å; T28-L42 VanDerWaalsContact OG1-O 3.14Å; S29-L42 PolarHBondContact N-O 2.82Å; S29-L42 PolarHBondContact O-N 3.46Å; L42-P69 HydrophobicContact CD2-CB 3.74Å; L42-F71 HydrophobicContact CD2-CE2 3.84Å; L42-F71 HydrophobicContact CD2-CZ 4.21Å; L42-F71 HydrophobicContact CG-CE2 4.29Å |
| 43 | A | 98.1 | Very high | 96.4 | Very high | 47 Ų | 47 | 66.6 Ų | 66.6 | 39% | 0.388 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 145.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | V13 I26 I27 V45 | V13-A43 HydrophobicContact CG2-CB 4.02Å; I26-A43 CarbonylContact O-C 3.57Å; I26-A43 VanDerWaalsContact O-CA 3.25Å; I26-A43 WeakPolarHBondContact O-CA 3.48Å; I26-A43 WeakPolarHBondContact O-CB 3.39Å; I27-A43 HydrophobicContact CG1-CB 4.26Å; A43-V45 HydrophobicContact CB-CG1 4.31Å |
| 44 | R | 98.2 | Very high | 96.5 | Very high | 179 Ų | 179 | 68.7 Ų | 68.7 | 68% | 0.675 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123.3 | 168 | -176.6 | -179.9 | 67.7 | -151.4 | -0.1 | 107.7 | G25 I26 T28 | G25-R44 CarbonylContact C-O 3.56Å; G25-R44 VanDerWaalsContact CA-O 3.27Å; G25-R44 WeakPolarHBondContact CA-O 3.3Å; I26-R44 HydrophobicContact CG2-CB 4.47Å; I26-R44 PolarHBondContact N-O 3.05Å; I26-R44 PolarHBondContact O-N 2.91Å; T28-R44 HydrophobicContact CG2-CB 4.25Å |
| 45 | V | 97.6 | Very high | 96.5 | Very high | 47 Ų | 47 | 63.2 Ų | 63.2 | 29% | 0.285 | 36% | 0.362 | S | S | . | . | trans | -134.5 | 152.2 | -174 | -67.5 | 0 | 0 | 0 | 0 | 110.1 | V13 F15 A43 I49 | V13-V45 HydrophobicContact CB-CG1 4.29Å; V13-V45 HydrophobicContact CG1-CG1 4.23Å; F15-V45 HydrophobicContact CE1-CB 4.02Å; F15-V45 HydrophobicContact CE1-CG1 4.44Å; A43-V45 HydrophobicContact CB-CG1 4.31Å; V45-I49 HydrophobicContact CB-CD1 4.14Å; V45-I49 HydrophobicContact CG1-CD1 3.98Å; V45-I49 HydrophobicContact CG2-CB 4.32Å; V45-I49 HydrophobicContact CG2-CD1 3.86Å; V45-I49 HydrophobicContact CG2-CG2 4.05Å | ||
| 46 | P | 97.9 | Very high | 96.2 | Very high | 48 Ų | 48 | 62.2 Ų | 62.2 | 31% | 0.312 | 35% | 0.351 | S | S | . | . | trans | -56.6 | 160.7 | 166.5 | -25.9 | 36.4 | 0 | 0 | 0 | 112.5 | F15 H23 | F15-P46 HydrophobicContact CZ-CB 4.22Å; F15-P46 WeakPolarHBondContact CZ-O 3.28Å; H23-P46 HydrophobicContact CB-CB 4.29Å; H23-P46 HydrophobicContact CB-CG 4.09Å | ||
| 47 | E | 96.7 | Very high | 95.9 | Very high | 187 Ų | 187 | 62.2 Ų | 62.2 | 87% | 0.874 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 159.9 | 172.7 | -66.2 | -177.1 | -163.1 | 0 | 0 | 111.5 | ||
| 48 | G | 96 | Very high | 95.5 | Very high | 52 Ų | 52 | 70 Ų | 70 | 54% | 0.536 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.6 | 10.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 49 | I | 97.1 | Very high | 95 | Very high | 50 Ų | 50 | 73.5 Ų | 73.5 | 26% | 0.256 | 39% | 0.39 | S | S | . | . | trans | -65.3 | 134.3 | 173.5 | -164.5 | 167.6 | 0 | 0 | 0 | 111.4 | F15 V45 A53 V66 | F15-I49 HydrophobicContact CB-CG1 4.41Å; F15-I49 HydrophobicContact CD1-CB 4.3Å; F15-I49 HydrophobicContact CD1-CD1 3.83Å; F15-I49 HydrophobicContact CD1-CG1 3.84Å; F15-I49 HydrophobicContact CD2-CB 4.1Å; F15-I49 HydrophobicContact CD2-CG1 4.05Å; F15-I49 HydrophobicContact CE1-CB 4.03Å; F15-I49 HydrophobicContact CE1-CD1 4.02Å; F15-I49 HydrophobicContact CE1-CG1 4.05Å; F15-I49 VanDerWaalsContact CE2-CA 3.43Å; F15-I49 HydrophobicContact CE2-CB 3.83Å; F15-I49 HydrophobicContact CE2-CG1 4.25Å; F15-I49 HydrophobicContact CG-CB 4.33Å; F15-I49 HydrophobicContact CG-CD1 4.29Å; F15-I49 HydrophobicContact CG-CG1 3.83Å; F15-I49 HydrophobicContact CZ-CB 3.77Å; F15-I49 HydrophobicContact CZ-CG1 4.24Å; V45-I49 HydrophobicContact CB-CD1 4.14Å; V45-I49 HydrophobicContact CG1-CD1 3.98Å; V45-I49 HydrophobicContact CG2-CB 4.32Å; V45-I49 HydrophobicContact CG2-CD1 3.86Å; V45-I49 HydrophobicContact CG2-CG2 4.05Å; I49-A53 HydrophobicContact CD1-CB 4.29Å; I49-V66 HydrophobicContact CD1-CG1 4.06Å; I49-V66 HydrophobicContact CD1-CG2 3.64Å; I49-V66 HydrophobicContact CG1-CG1 4.29Å; I49-V66 HydrophobicContact CG1-CG2 3.93Å; I49-V66 HydrophobicContact CG2-CG1 4.32Å | ||
| 50 | G | 95.8 | Very high | 94.8 | Very high | 41 Ų | 41 | 81.1 Ų | 81.1 | 42% | 0.423 | 42% | 0.418 | S | S | . | . | trans | -86.1 | -158.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T52 V66 | G50-T52 VanDerWaalsContact C-N 3.3Å; G50-T52 PolarHBondContact O-N 3.48Å; G50-V66 VanDerWaalsContact O-CB 3.26Å; G50-V66 WeakPolarHBondContact O-CB 3.48Å; G50-V66 WeakPolarHBondContact O-CG2 3.46Å | ||
| 51 | E | 96.2 | Very high | 94.5 | Very high | 141 Ų | 141 | 85.6 Ų | 85.6 | 66% | 0.659 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -78.9 | -12.5 | 179.3 | -67.5 | -67.7 | 144.6 | 0 | 0 | 113.6 | V66 | E51-V66 PolarHBondContact O-N 3.31Š|
| 52 | T | 96.2 | Very high | 94.3 | Very high | 101 Ų | 101 | 84.8 Ų | 84.8 | 62% | 0.62 | 43% | 0.43 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 150.1 | -179.4 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | G50 V64 | G50-T52 VanDerWaalsContact C-N 3.3Å; G50-T52 PolarHBondContact O-N 3.48Å; T52-V64 WeakPolarHBondContact CA-O 3.48Å |
| 53 | A | 97.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 85 Ų | 85 | 3% | 0.033 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 171.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | V13 F15 I49 V64 V66 | V13-A53 HydrophobicContact CG1-CB 3.72Å; F15-A53 HydrophobicContact CB-CB 4.27Å; I49-A53 HydrophobicContact CD1-CB 4.29Å; A53-V64 HydrophobicContact CB-CG2 3.92Å; A53-V64 PolarHBondContact N-O 2.99Å; A53-V64 WeakPolarHBondContact O-CG2 3.44Å; A53-V64 PolarHBondContact O-N 2.9Å; A53-V66 HydrophobicContact CB-CG2 3.88Å |
| 54 | I | 96.5 | Very high | 94.1 | Very high | 52 Ų | 52 | 83.6 Ų | 83.6 | 27% | 0.267 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.5 | 176 | -59.8 | -56.2 | 0 | 0 | 0 | 109 | V13 R14 E61 P63 | V13-I54 CarbonylContact C-O 3.5Å; V13-I54 WeakPolarHBondContact CA-O 3.27Å; R14-I54 PolarHBondContact N-O 2.82Å; R14-I54 PolarHBondContact O-N 3.45Å; I54-E61 HydrophobicContact CG2-CB 3.54Å; I54-E61 HydrophobicContact CG2-CG 3.78Å; I54-P63 HydrophobicContact CD1-CB 4.11Å |
| 55 | V | 95.8 | Very high | 94 | Very high | 2 Ų | 2 | 82.3 Ų | 82.3 | 1% | 0.012 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.3 | 168.9 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | L7 L11 V13 I27 I57 M62 V64 | L7-V55 HydrophobicContact CD2-CB 4.21Å; L7-V55 HydrophobicContact CD2-CG1 3.95Å; L7-V55 HydrophobicContact CD2-CG2 4.21Å; L11-V55 HydrophobicContact CB-CG1 3.9Å; L11-V55 HydrophobicContact CD1-CG1 3.96Å; V13-V55 HydrophobicContact CG1-CG2 4.47Å; V13-V55 HydrophobicContact CG2-CG2 4.2Å; I27-V55 HydrophobicContact CD1-CG1 3.91Å; I27-V55 HydrophobicContact CD1-CG2 4.12Å; V55-I57 HydrophobicContact CG1-CG1 4.25Å; V55-I57 PolarHBondContact O-N 2.98Å; V55-M62 PolarHBondContact N-O 3.23Å; V55-M62 PolarHBondContact O-N 3.17Å; V55-V64 HydrophobicContact CB-CG1 4.26Å; V55-V64 HydrophobicContact CG2-CB 4.43Å; V55-V64 HydrophobicContact CG2-CG1 3.71Å; V55-V64 HydrophobicContact CG2-CG2 3.81Å |
| 56 | Q | 88.5 | Confident | 94 | Very high | 67 Ų | 67 | 81.7 Ų | 81.7 | 31% | 0.313 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 119.5 | 170.9 | -94.9 | -154.8 | -33.4 | 0 | 0 | 110.7 | E61 | Q56-E61 HydrophobicContact CG-CG 4.49Å |
| 57 | I | 89.4 | Confident | 93.9 | Very high | 28 Ų | 28 | 83 Ų | 83 | 14% | 0.144 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 104.6 | 169.6 | -54.4 | -171.9 | 0 | 0 | 0 | 107.9 | M1 L7 L11 V55 N59 R60 M62 | M1-I57 HydrophobicContact CE-CD1 3.99Å; M1-I57 HydrophobicContact SD-CD1 3.7Å; L7-I57 HydrophobicContact CD2-CD1 4.19Å; L11-I57 HydrophobicContact CD1-CG1 4.28Å; V55-I57 HydrophobicContact CG1-CG1 4.25Å; V55-I57 PolarHBondContact O-N 2.98Å; I57-N59 PolarHBondContact O-N 2.95Å; I57-R60 PolarHBondContact N-O 2.94Å; I57-R60 PolarHBondContact O-N 2.6Å; I57-R60 VanDerWaalsContact O-N 3.1Å; I57-M62 HydrophobicContact CB-CG 4.06Å; I57-M62 HydrophobicContact CD1-CB 4.34Å; I57-M62 HydrophobicContact CD1-CG 3.89Å; I57-M62 HydrophobicContact CG1-CB 4.42Å; I57-M62 HydrophobicContact CG1-CG 3.89Å |
| 58 | R | 84.4 | Confident | 93.9 | Very high | 214 Ų | 214 | 81.4 Ų | 81.4 | 81% | 0.808 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | -118.7 | -170.9 | -56.6 | 173.5 | 174.4 | 158 | -3 | 109 | ||
| 59 | N | 85.5 | Confident | 93.9 | Very high | 160 Ų | 160 | 84.1 Ų | 84.1 | 86% | 0.856 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.4 | 22.7 | 179.5 | -66.6 | -2.2 | 0 | 0 | 0 | 112.6 | I57 | I57-N59 PolarHBondContact O-N 2.95Š|
| 60 | R | 89.9 | Confident | 93.9 | Very high | 161 Ų | 161 | 83.9 Ų | 83.9 | 61% | 0.608 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.2 | -179.6 | -64.9 | -175.8 | 64.5 | -171.1 | -7.4 | 110.5 | I57 M62 | I57-R60 PolarHBondContact N-O 2.94Å; I57-R60 PolarHBondContact O-N 2.6Å; I57-R60 VanDerWaalsContact O-N 3.1Å; R60-M62 HydrophobicContact CB-SD 4.21Å |
| 61 | E | 91.9 | Very high | 94 | Very high | 121 Ų | 121 | 84 Ų | 84 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 118.1 | 166.6 | -70.7 | -167.2 | 166.8 | 0 | 0 | 108.7 | I54 Q56 | I54-E61 HydrophobicContact CG2-CB 3.54Å; I54-E61 HydrophobicContact CG2-CG 3.78Å; Q56-E61 HydrophobicContact CG-CG 4.49Å |
| 62 | M | 93.6 | Very high | 94 | Very high | 7 Ų | 7 | 79.7 Ų | 79.7 | 3% | 0.034 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 115.5 | -178.1 | -62.2 | -62.7 | -63.3 | 0 | 0 | 108.8 | M1 E3 V55 I57 R60 V64 | M1-M62 HydrophobicContact SD-CB 3.93Å; M1-M62 HydrophobicContact SD-CE 3.76Å; M1-M62 HydrophobicContact SD-CG 4.25Å; E3-M62 HydrophobicContact CB-CE 3.75Å; E3-M62 HydrophobicContact CG-CE 4.39Å; E3-M62 VanDerWaalsContact OE2-CE 3.31Å; E3-M62 WeakPolarHBondContact OE2-CE 3.11Å; V55-M62 PolarHBondContact N-O 3.23Å; V55-M62 PolarHBondContact O-N 3.17Å; I57-M62 HydrophobicContact CB-CG 4.06Å; I57-M62 HydrophobicContact CD1-CB 4.34Å; I57-M62 HydrophobicContact CD1-CG 3.89Å; I57-M62 HydrophobicContact CG1-CB 4.42Å; I57-M62 HydrophobicContact CG1-CG 3.89Å; R60-M62 HydrophobicContact CB-SD 4.21Å; M62-V64 PolarHBondContact O-N 3.41Å |
| 63 | P | 95.3 | Very high | 94 | Very high | 77 Ų | 77 | 83.2 Ų | 83.2 | 50% | 0.5 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 134.5 | 174.5 | 27.4 | -32.6 | 0 | 0 | 0 | 110.1 | I54 | I54-P63 HydrophobicContact CD1-CB 4.11Å |
| 64 | V | 96.4 | Very high | 94 | Very high | 17 Ų | 17 | 91.1 Ų | 91.1 | 10% | 0.103 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146.6 | 176.1 | -59.2 | 0 | 0 | 0 | 0 | 110 | M1 L7 T52 A53 V55 M62 | M1-V64 HydrophobicContact CB-CG1 4.05Å; M1-V64 HydrophobicContact CG-CG1 4.43Å; L7-V64 HydrophobicContact CD2-CG1 4.39Å; T52-V64 WeakPolarHBondContact CA-O 3.48Å; A53-V64 HydrophobicContact CB-CG2 3.92Å; A53-V64 PolarHBondContact N-O 2.99Å; A53-V64 WeakPolarHBondContact O-CG2 3.44Å; A53-V64 PolarHBondContact O-N 2.9Å; V55-V64 HydrophobicContact CB-CG1 4.26Å; V55-V64 HydrophobicContact CG2-CB 4.43Å; V55-V64 HydrophobicContact CG2-CG1 3.71Å; V55-V64 HydrophobicContact CG2-CG2 3.81Å; M62-V64 PolarHBondContact O-N 3.41Å |
| 65 | K | 96.7 | Very high | 93.8 | Very high | 151 Ų | 151 | 91.8 Ų | 91.8 | 66% | 0.657 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 129.2 | 169.5 | -173.7 | 178.5 | -179.5 | -179.1 | 0 | 109 | T67 | K65-T67 HydrophobicContact CD-CG2 4.17Å; K65-T67 HydrophobicContact CG-CG2 4.04Å |
| 66 | V | 97.1 | Very high | 93.8 | Very high | 35 Ų | 35 | 99.4 Ų | 99.4 | 21% | 0.212 | 49% | 0.493 | C | S | . | . | trans | -83.2 | 132.9 | 171.6 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | I49 G50 E51 A53 | I49-V66 HydrophobicContact CD1-CG1 4.06Å; I49-V66 HydrophobicContact CD1-CG2 3.64Å; I49-V66 HydrophobicContact CG1-CG1 4.29Å; I49-V66 HydrophobicContact CG1-CG2 3.93Å; I49-V66 HydrophobicContact CG2-CG1 4.32Å; G50-V66 VanDerWaalsContact O-CB 3.26Å; G50-V66 WeakPolarHBondContact O-CB 3.48Å; G50-V66 WeakPolarHBondContact O-CG2 3.46Å; E51-V66 PolarHBondContact O-N 3.31Å; A53-V66 HydrophobicContact CB-CG2 3.88Å | ||
| 67 | T | 96.3 | Very high | 94.1 | Very high | 74 Ų | 74 | 99.2 Ų | 99.2 | 45% | 0.454 | 50% | 0.503 | S | S | . | . | trans | -138.3 | 172.5 | -178.8 | 66.8 | 0 | 0 | 0 | 0 | 109.8 | K65 | K65-T67 HydrophobicContact CD-CG2 4.17Å; K65-T67 HydrophobicContact CG-CG2 4.04Å | ||
| 68 | K | 96.1 | Very high | 94.3 | Very high | 155 Ų | 155 | 100.6 Ų | 100.6 | 67% | 0.674 | 51% | 0.513 | S | S | * | . | trans | -55.4 | 151.5 | 166.4 | -64.8 | 178 | -176 | 169.8 | 0 | 110.1 | V70 | K68-V70 HydrophobicContact CB-CG1 4.11Å; K68-V70 PolarHBondContact O-N 2.93Å | ||
| 69 | P | 96.7 | Very high | 93.8 | Very high | 109 Ų | 109 | 97.9 Ų | 97.9 | 71% | 0.708 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -76 | 49.9 | -179.4 | 33.1 | -37.4 | 0 | 0 | 0 | 112.1 | L42 | L42-P69 HydrophobicContact CD2-CB 3.74Š|
| 70 | V | 96.8 | Very high | 94.3 | Very high | 45 Ų | 45 | 94.8 Ų | 94.8 | 27% | 0.273 | 52% | 0.52 | S | S | . | . | trans | -156 | 137.7 | 178.7 | 64.2 | 0 | 0 | 0 | 0 | 108.8 | K68 R73 V78 | K68-V70 HydrophobicContact CB-CG1 4.11Å; K68-V70 PolarHBondContact O-N 2.93Å; V70-R73 HydrophobicContact CG2-CG 4.37Å; V70-V78 HydrophobicContact CG1-CG1 4.13Å; V70-V78 HydrophobicContact CG2-CG2 4.06Å | ||
| 71 | F | 96.9 | Very high | 94.5 | Very high | 43 Ų | 43 | 91.3 Ų | 91.3 | 19% | 0.189 | 52% | 0.516 | C | S | . | . | trans | -124.5 | -41 | -172.8 | -55 | -73 | 0 | 0 | 0 | 113.5 | L36 I40 A41 L42 V78 | L36-F71 HydrophobicContact CD1-CB 3.95Å; I40-F71 HydrophobicContact CB-CD1 4.23Å; I40-F71 HydrophobicContact CB-CD2 4.43Å; I40-F71 HydrophobicContact CB-CE1 4.14Å; I40-F71 HydrophobicContact CB-CE2 4.33Å; I40-F71 HydrophobicContact CB-CG 4.38Å; I40-F71 HydrophobicContact CB-CZ 4.2Å; I40-F71 HydrophobicContact CD1-CB 4.2Å; I40-F71 HydrophobicContact CD1-CD2 3.66Å; I40-F71 HydrophobicContact CD1-CE2 4.17Å; I40-F71 HydrophobicContact CD1-CG 3.89Å; I40-F71 HydrophobicContact CG2-CD1 3.99Å; I40-F71 HydrophobicContact CG2-CE1 4.23Å; I40-F71 HydrophobicContact CG2-CG 4.32Å; A41-F71 WeakPolarHBondContact O-CZ 3.42Å; L42-F71 HydrophobicContact CD2-CE2 3.84Å; L42-F71 HydrophobicContact CD2-CZ 4.21Å; L42-F71 HydrophobicContact CG-CE2 4.29Å; F71-V78 PolarHBondContact O-N 3.31Å | ||
| 72 | V | 97.4 | Very high | 94.6 | Very high | 51 Ų | 51 | 89.7 Ų | 89.7 | 31% | 0.309 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 137.9 | -175.8 | 176.7 | 0 | 0 | 0 | 0 | 109.7 | T35 L36 K76 | T35-V72 HydrophobicContact CG2-CG1 4.18Å; T35-V72 HydrophobicContact CG2-CG2 4.05Å; L36-V72 HydrophobicContact CD1-CG2 4.19Å; L36-V72 HydrophobicContact CD2-CG2 4.16Å; L36-V72 HydrophobicContact CG-CG2 4.02Å; V72-K76 VanDerWaalsContact CA-O 3.31Å; V72-K76 WeakPolarHBondContact CA-O 3.07Å; V72-K76 WeakPolarHBondContact CG1-O 3.4Å |
| 73 | R | 96.9 | Very high | 94.7 | Very high | 174 Ų | 174 | 94.5 Ų | 94.5 | 66% | 0.657 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 136.2 | 169.3 | -77.2 | -176.1 | 175.4 | -177.3 | -1.1 | 109.5 | V70 G75 K76 V78 | V70-R73 HydrophobicContact CG2-CG 4.37Å; R73-G75 VanDerWaalsContact C-N 3.26Å; R73-G75 PolarHBondContact O-N 3.5Å; R73-K76 PolarHBondContact N-O 3.35Å; R73-K76 PolarHBondContact O-N 2.87Å; R73-V78 HydrophobicContact CB-CG2 4.06Å; R73-V78 HydrophobicContact CG-CG2 3.94Å |
| 74 | N | 95.6 | Very high | 94.6 | Very high | 171 Ų | 171 | 95.6 Ų | 95.6 | 91% | 0.914 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 43.9 | 176.3 | -57.1 | -22.9 | 0 | 0 | 0 | 113.7 | K76 | N74-K76 VanDerWaalsContact C-N 3.27Å; N74-K76 PolarHBondContact O-N 3.39Å |
| 75 | G | 93.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 100.9 Ų | 100.9 | 67% | 0.67 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.1 | 4.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | R73 | R73-G75 VanDerWaalsContact C-N 3.26Å; R73-G75 PolarHBondContact O-N 3.5Å |
| 76 | K | 95.4 | Very high | 94.4 | Very high | 162 Ų | 162 | 97.3 Ų | 97.3 | 70% | 0.704 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -120.1 | 147.3 | 179.6 | -65.5 | -175.5 | 179.9 | -179.4 | 0 | 112 | V72 R73 N74 | V72-K76 VanDerWaalsContact CA-O 3.31Å; V72-K76 WeakPolarHBondContact CA-O 3.07Å; V72-K76 WeakPolarHBondContact CG1-O 3.4Å; R73-K76 PolarHBondContact N-O 3.35Å; R73-K76 PolarHBondContact O-N 2.87Å; N74-K76 VanDerWaalsContact C-N 3.27Å; N74-K76 PolarHBondContact O-N 3.39Å |
| 77 | A | 95.1 | Very high | 94.2 | Very high | 64 Ų | 64 | 102.1 Ų | 102.1 | 53% | 0.529 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -59.1 | 136.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | L36 | L36-A77 HydrophobicContact CD2-CB 3.49Å; L36-A77 VanDerWaalsContact CD2-CB 3.49Å |
| 78 | V | 93.4 | Very high | 94 | Very high | 57 Ų | 57 | 104.4 Ų | 104.4 | 35% | 0.345 | 61% | 0.606 | S | S | . | * | trans | -80.8 | 127.8 | 174.2 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | V70 F71 R73 | V70-V78 HydrophobicContact CG1-CG1 4.13Å; V70-V78 HydrophobicContact CG2-CG2 4.06Å; F71-V78 PolarHBondContact O-N 3.31Å; R73-V78 HydrophobicContact CB-CG2 4.06Å; R73-V78 HydrophobicContact CG-CG2 3.94Å | ||
| 79 | A | 73.9 | Confident | 93.8 | Very high | 157 Ų | 157 | 99.8 Ų | 99.8 | 100% | 1.298 | 60% | 0.6 | S | S | * | * | trans | -79.9 | 0 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 |
Retrieved 79 of 79 residues in 129.8 ms
(Link to these results)