| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 69 | Low | 83.2 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 24% | 0.241 | 27% | 0.266 | C | S | . | . | 0 | 149.6 | 0 | -167.7 | 170.5 | -153 | 0 | 0 | 107.6 | I27 M30 L55 P57 | M1-I27 HydrophobicContact CB-CB 4.28Å; M1-I27 PolarHBondContact N-O 2.86Å; M1-I27 VanDerWaalsContact N-O 3.1Å; M1-I27 WeakPolarHBondContact O-CA 3.27Å; M1-I27 WeakPolarHBondContact O-CB 3.28Å; M1-I27 PolarHBondContact O-N 3.24Å; M1-M30 HydrophobicContact SD-CE 3.84Å; M1-M30 HydrophobicContact SD-SD 3.56Å; M1-L55 HydrophobicContact CG-CD2 4.31Å; M1-L55 HydrophobicContact SD-CD2 4.02Å; M1-P57 VanDerWaalsContact CE-CA 3.46Å; M1-P57 HydrophobicContact CE-CB 3.49Å; M1-P57 VanDerWaalsContact CE-CB 3.49Å | |||
| 2 | E | 78.6 | Confident | 83.9 | Confident | 24 Ų | 24 | 62.3 Ų | 62.3 | 11% | 0.112 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 146.2 | 179.6 | -57.6 | -158.8 | 150.4 | 0 | 0 | 111.3 | M24 L25 R56 S126 N128 | E2-M24 HydrophobicContact CB-CE 4.09Å; E2-M24 WeakPolarHBondContact OE2-CE 3.39Å; E2-L25 WeakPolarHBondContact CA-O 3.29Å; E2-R56 PolarHBondContact O-N 2.82Å; E2-S126 WeakPolarHBondContact OE1-CB 3.25Å; E2-N128 WeakPolarHBondContact OE2-CB 3.44Å; E2-N128 PolarHBondContact OE2-ND2 2.97Å; E2-N128 VanDerWaalsContact OE2-ND2 3.15Å; E2-N128 PolarHBondContact OE2-OD1 3.36Å |
| 3 | A | 79.2 | Confident | 84.6 | Confident | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L25 I27 I53 N54 L55 | A3-L25 HydrophobicContact CB-CB 4.5Å; A3-L25 PolarHBondContact N-O 2.85Å; A3-L25 PolarHBondContact O-N 2.74Å; A3-I27 HydrophobicContact CB-CD1 3.86Å; A3-I27 HydrophobicContact CB-CG1 3.85Å; A3-I53 HydrophobicContact CB-CB 3.93Å; A3-I53 HydrophobicContact CB-CD1 3.53Å; A3-I53 HydrophobicContact CB-CG1 3.98Å; A3-N54 CarbonylContact C-O 3.4Å; A3-N54 VanDerWaalsContact CA-O 3.28Å; A3-N54 WeakPolarHBondContact CA-O 3.24Å; A3-L55 HydrophobicContact CB-CD2 4.15Å |
| 4 | V | 80.7 | Confident | 85.1 | Confident | 17 Ų | 17 | 72 Ų | 72 | 10% | 0.103 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 131.9 | 168.6 | 62.1 | 0 | 0 | 0 | 0 | 108.8 | L6 M24 I53 N54 R56 | V4-L6 PolarHBondContact O-N 3.1Å; V4-M24 HydrophobicContact CB-SD 3.91Å; V4-M24 HydrophobicContact CG2-SD 4.14Å; V4-I53 CarbonylContact O-C 3.51Å; V4-I53 WeakPolarHBondContact O-CA 3.34Å; V4-N54 HydrophobicContact CG1-CB 3.87Å; V4-N54 PolarHBondContact N-O 3.04Å; V4-N54 PolarHBondContact O-N 3.41Å; V4-R56 HydrophobicContact CG1-CG 4.34Å |
| 5 | A | 82.6 | Confident | 85.6 | Confident | 2 Ų | 2 | 72 Ų | 72 | 2% | 0.017 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 120 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F19 N20 G22 D23 L25 | A5-F19 HydrophobicContact CB-CD2 3.38Å; A5-F19 HydrophobicContact CB-CE2 3.64Å; A5-F19 HydrophobicContact CB-CG 4.41Å; A5-N20 WeakPolarHBondContact CB-O 3.14Å; A5-G22 PolarHBondContact O-N 3.1Å; A5-D23 HydrophobicContact CB-CB 4.31Å; A5-D23 PolarHBondContact N-O 2.82Å; A5-L25 HydrophobicContact CB-CD1 4.41Å |
| 6 | L | 67.9 | Low | 86.3 | Confident | 65 Ų | 65 | 69.2 Ų | 69.2 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -80.1 | -27.8 | 176.6 | -65.2 | 178.5 | 0 | 0 | 0 | 112.1 | V4 K21 Y52 N54 | V4-L6 PolarHBondContact O-N 3.1Å; L6-K21 VanDerWaalsContact O-CD 3.3Å; L6-K21 WeakPolarHBondContact O-CD 3.11Å; L6-K21 WeakPolarHBondContact O-CE 3.48Å; L6-K21 VanDerWaalsContact O-CG 3.32Å; L6-K21 WeakPolarHBondContact O-CG 3.29Å; L6-Y52 PolarHBondContact N-O 2.82Å; L6-N54 HydrophobicContact CD1-CB 4.01Å; L6-N54 HydrophobicContact CD2-CB 3.8Å; L6-N54 HydrophobicContact CG-CB 3.92Å |
| 7 | Y | 81.2 | Confident | 86.9 | Confident | 131 Ų | 131 | 65.6 Ų | 65.6 | 51% | 0.514 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -138.5 | 162 | -178.6 | -48.6 | -70.2 | 0 | 0 | 0 | 110.4 | F19 Y52 | Y7-F19 VanDerWaalsContact O-CE2 3.28Å; Y7-F19 WeakPolarHBondContact O-CE2 3.1Å; Y7-Y52 HydrophobicContact CD2-CD1 4.3Å; Y7-Y52 HydrophobicContact CD2-CG 4.37Å |
| 8 | T | 90.6 | Very high | 87.4 | Confident | 67 Ų | 67 | 65.6 Ų | 65.6 | 41% | 0.411 | 35% | 0.345 | S | S | . | . | trans | -77.6 | 133.8 | 169.7 | -65.8 | 0 | 0 | 0 | 0 | 109.3 | F19 K21 | T8-F19 WeakPolarHBondContact CA-O 3.36Å; T8-K21 PolarHBondContact OG1-N 3.18Å | ||
| 9 | F | 94.5 | Very high | 87.8 | Confident | 25 Ų | 25 | 62.4 Ų | 62.4 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | B | Isolated β-bridge | trans | -123 | 129.2 | 175.9 | 179.9 | -106.3 | 0 | 0 | 0 | 109.8 | E16 L17 S18 F19 W36 P49 Y52 | F9-E16 HydrophobicContact CE1-CB 4.17Å; F9-E16 HydrophobicContact CZ-CG 4.5Å; F9-L17 WeakPolarHBondContact CD1-O 3.3Å; F9-S18 WeakPolarHBondContact O-CA 3.38Å; F9-F19 HydrophobicContact CB-CD1 4.08Å; F9-F19 HydrophobicContact CB-CD2 4.13Å; F9-F19 HydrophobicContact CB-CE1 3.55Å; F9-F19 HydrophobicContact CB-CE2 3.65Å; F9-F19 HydrophobicContact CB-CG 4.35Å; F9-F19 HydrophobicContact CB-CZ 3.33Å; F9-F19 HydrophobicContact CD1-CD1 4.26Å; F9-F19 AromaticContact CD1-CE1 3.71Å; F9-F19 HydrophobicContact CD1-CE1 3.71Å; F9-F19 HydrophobicContact CD1-CZ 4.27Å; F9-F19 AromaticContact CG-CE1 3.94Å; F9-F19 HydrophobicContact CG-CE1 3.94Å; F9-F19 HydrophobicContact CG-CZ 4.02Å; F9-F19 PolarHBondContact N-O 2.95Å; F9-F19 PolarHBondContact O-N 2.84Å; F9-F19 VanDerWaalsContact O-O 3.08Å; F9-W36 HydrophobicContact CE1-CH2 4.5Å; F9-W36 HydrophobicContact CE1-CZ3 4.32Å; F9-W36 HydrophobicContact CE2-CH2 4.39Å; F9-W36 AromaticContact CZ-CH2 3.79Å; F9-W36 HydrophobicContact CZ-CH2 3.79Å; F9-W36 HydrophobicContact CZ-CZ3 4.04Å; F9-P49 HydrophobicContact CD2-CG 3.79Å; F9-P49 HydrophobicContact CE1-CG 4.38Å; F9-P49 HydrophobicContact CE2-CG 3.66Å; F9-P49 HydrophobicContact CG-CG 4.24Å; F9-P49 HydrophobicContact CZ-CG 3.99Å; F9-Y52 HydrophobicContact CB-CD1 3.94Å; F9-Y52 HydrophobicContact CB-CE1 4.41Å; F9-Y52 HydrophobicContact CD2-CD1 4.18Å; F9-Y52 HydrophobicContact CD2-CE1 4.14Å; F9-Y52 HydrophobicContact CG-CD1 4.47Å |
| 10 | R | 96.9 | Very high | 88.1 | Confident | 209 Ų | 209 | 64.1 Ų | 64.1 | 79% | 0.789 | 34% | 0.338 | S | S | * | . | trans | -109.5 | 117.8 | 175 | -65.5 | -167.2 | 178.9 | -163 | 0.3 | 108 | T12 | R10-T12 PolarHBondContact O-N 2.91Š| ||
| 11 | A | 93.9 | Very high | 87.9 | Confident | 35 Ų | 35 | 68 Ų | 68 | 29% | 0.289 | 35% | 0.352 | S | S | . | . | trans | -56.9 | 131.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | E16 S18 | A11-E16 WeakPolarHBondContact CA-OE2 3.3Å; A11-E16 HydrophobicContact CB-CB 3.64Å; A11-S18 WeakPolarHBondContact CB-OG 3.35Å; A11-S18 PolarHBondContact N-OG 2.85Å | ||
| 12 | T | 91.8 | Very high | 88.3 | Confident | 123 Ų | 123 | 67.9 Ų | 67.9 | 76% | 0.755 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -102.6 | -26.8 | 171.7 | 44.1 | 0 | 0 | 0 | 0 | 111.8 | R10 E16 | R10-T12 PolarHBondContact O-N 2.91Å; T12-E16 PolarHBondContact N-OE2 2.95Å; T12-E16 PolarHBondContact OG1-OE2 3.18Å; T12-E16 VanDerWaalsContact OG1-OE2 3.05Å |
| 13 | E | 92.9 | Very high | 88.7 | Confident | 129 Ų | 129 | 68.6 Ų | 68.6 | 60% | 0.603 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -109.5 | 162 | 176.4 | -57.8 | -167.5 | -170.3 | 0 | 0 | 111.6 | D15 E16 | E13-D15 VanDerWaalsContact C-N 3.33Å; E13-D15 WeakPolarHBondContact CB-OD1 3.45Å; E13-D15 PolarHBondContact O-N 2.83Å; E13-E16 HydrophobicContact CB-CG 4.07Å; E13-E16 PolarHBondContact N-OE2 3.34Å; E13-E16 PolarHBondContact O-N 2.86Å |
| 14 | S | 91.9 | Very high | 88.8 | Confident | 132 Ų | 132 | 72.3 Ų | 72.3 | 92% | 0.923 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -17.9 | -172.5 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | ||
| 15 | D | 93.1 | Very high | 89.1 | Confident | 72 Ų | 72 | 71.5 Ų | 71.5 | 39% | 0.385 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -3 | 177.1 | 61.4 | -17.8 | 0 | 0 | 0 | 112.9 | E13 G46 F47 | E13-D15 VanDerWaalsContact C-N 3.33Å; E13-D15 WeakPolarHBondContact CB-OD1 3.45Å; E13-D15 PolarHBondContact O-N 2.83Å; D15-G46 CarbonylContact O-C 3.48Å; D15-G46 WeakPolarHBondContact O-CA 3.44Å; D15-F47 HydrophobicContact CB-CD2 4.02Å; D15-F47 HydrophobicContact CB-CE2 4.21Å; D15-F47 PolarHBondContact O-N 3.44Å; D15-F47 WeakPolarHBondContact OD2-CD2 3.41Å; D15-F47 WeakPolarHBondContact OD2-CE2 3.4Å |
| 16 | E | 95.9 | Very high | 89.2 | Confident | 27 Ų | 27 | 74.5 Ų | 74.5 | 13% | 0.126 | 39% | 0.392 | C | S | . | . | B | Isolated β-bridge | trans | -85.7 | 146.4 | 175.6 | -72 | 176.7 | 159.9 | 0 | 0 | 112.5 | F9 A11 T12 E13 W36 | F9-E16 HydrophobicContact CE1-CB 4.17Å; F9-E16 HydrophobicContact CZ-CG 4.5Å; A11-E16 WeakPolarHBondContact CA-OE2 3.3Å; A11-E16 HydrophobicContact CB-CB 3.64Å; T12-E16 PolarHBondContact N-OE2 2.95Å; T12-E16 PolarHBondContact OG1-OE2 3.18Å; T12-E16 VanDerWaalsContact OG1-OE2 3.05Å; E13-E16 HydrophobicContact CB-CG 4.07Å; E13-E16 PolarHBondContact N-OE2 3.34Å; E13-E16 PolarHBondContact O-N 2.86Å; E16-W36 HydrophobicContact CG-CH2 4.06Å; E16-W36 HydrophobicContact CG-CZ3 4.08Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.48Å |
| 17 | L | 95.9 | Very high | 90 | Very high | 9 Ų | 9 | 71.8 Ų | 71.8 | 5% | 0.047 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -102.7 | 117.9 | 178.8 | -178 | 65.6 | 0 | 0 | 0 | 110.8 | F9 F19 L25 A39 L41 R44 F47 V48 | F9-L17 WeakPolarHBondContact CD1-O 3.3Å; L17-F19 WeakPolarHBondContact O-CD1 3.3Å; L17-L25 HydrophobicContact CD2-CD2 4.29Å; L17-A39 HydrophobicContact CD2-CB 4.08Å; L17-L41 HydrophobicContact CD1-CB 4.37Å; L17-L41 HydrophobicContact CD2-CB 3.86Å; L17-L41 HydrophobicContact CG-CB 4.42Å; L17-R44 HydrophobicContact CD1-CB 3.82Å; L17-R44 WeakPolarHBondContact CD1-O 2.99Å; L17-F47 PolarHBondContact N-O 3.39Å; L17-V48 HydrophobicContact CB-CG1 3.83Å; L17-V48 HydrophobicContact CD2-CG1 4.05Å; L17-V48 HydrophobicContact CG-CG1 4.34Å |
| 18 | S | 96.4 | Very high | 90 | Very high | 64 Ų | 64 | 68 Ų | 68 | 45% | 0.448 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 140.3 | 172.7 | -63.1 | 0 | 0 | 0 | 0 | 112.1 | F9 A11 | F9-S18 WeakPolarHBondContact O-CA 3.38Å; A11-S18 WeakPolarHBondContact CB-OG 3.35Å; A11-S18 PolarHBondContact N-OG 2.85Å |
| 19 | F | 95.8 | Very high | 89.4 | Confident | 5 Ų | 5 | 67 Ų | 67 | 2% | 0.022 | 36% | 0.361 | C | S | . | . | B | Isolated β-bridge | trans | -154 | 158.7 | 177.9 | 56.3 | -95.4 | 0 | 0 | 0 | 112 | A5 Y7 T8 F9 L17 D23 L25 L41 V48 I53 | A5-F19 HydrophobicContact CB-CD2 3.38Å; A5-F19 HydrophobicContact CB-CE2 3.64Å; A5-F19 HydrophobicContact CB-CG 4.41Å; Y7-F19 VanDerWaalsContact O-CE2 3.28Å; Y7-F19 WeakPolarHBondContact O-CE2 3.1Å; T8-F19 WeakPolarHBondContact CA-O 3.36Å; F9-F19 HydrophobicContact CB-CD1 4.08Å; F9-F19 HydrophobicContact CB-CD2 4.13Å; F9-F19 HydrophobicContact CB-CE1 3.55Å; F9-F19 HydrophobicContact CB-CE2 3.65Å; F9-F19 HydrophobicContact CB-CG 4.35Å; F9-F19 HydrophobicContact CB-CZ 3.33Å; F9-F19 HydrophobicContact CD1-CD1 4.26Å; F9-F19 AromaticContact CD1-CE1 3.71Å; F9-F19 HydrophobicContact CD1-CE1 3.71Å; F9-F19 HydrophobicContact CD1-CZ 4.27Å; F9-F19 AromaticContact CG-CE1 3.94Å; F9-F19 HydrophobicContact CG-CE1 3.94Å; F9-F19 HydrophobicContact CG-CZ 4.02Å; F9-F19 PolarHBondContact N-O 2.95Å; F9-F19 PolarHBondContact O-N 2.84Å; F9-F19 VanDerWaalsContact O-O 3.08Å; L17-F19 WeakPolarHBondContact O-CD1 3.3Å; F19-D23 HydrophobicContact CB-CB 4.3Å; F19-L25 HydrophobicContact CB-CD2 3.89Å; F19-L25 HydrophobicContact CD1-CD1 4Å; F19-L25 HydrophobicContact CD1-CD2 4.19Å; F19-L25 HydrophobicContact CD2-CD1 4.21Å; F19-L25 HydrophobicContact CE1-CD1 4.16Å; F19-L25 HydrophobicContact CE2-CD1 4.32Å; F19-L25 HydrophobicContact CG-CD1 4.03Å; F19-L25 HydrophobicContact CG-CD2 4.1Å; F19-L25 HydrophobicContact CZ-CD1 4.29Å; F19-L41 HydrophobicContact CB-CD2 3.8Å; F19-V48 HydrophobicContact CD1-CB 4.5Å; F19-V48 HydrophobicContact CD1-CG1 3.82Å; F19-V48 HydrophobicContact CE1-CB 3.72Å; F19-V48 HydrophobicContact CE1-CG1 3.51Å; F19-V48 HydrophobicContact CZ-CB 4.4Å; F19-I53 HydrophobicContact CE2-CG2 4.16Å; F19-I53 HydrophobicContact CZ-CG2 3.88Å |
| 20 | N | 92.8 | Very high | 88.6 | Confident | 97 Ų | 97 | 69.4 Ų | 69.4 | 52% | 0.519 | 37% | 0.373 | S | S | . | . | trans | -97.8 | 154.2 | 175.2 | -63.9 | -57.9 | 0 | 0 | 0 | 111.6 | A5 G22 D23 | A5-N20 WeakPolarHBondContact CB-O 3.14Å; N20-G22 PolarHBondContact O-N 3.34Å; N20-D23 PolarHBondContact N-OD2 2.89Å; N20-D23 VanDerWaalsContact O-CB 3.28Å; N20-D23 WeakPolarHBondContact O-CB 3.12Å; N20-D23 VanDerWaalsContact O-CG 3.3Å; N20-D23 PolarHBondContact O-N 3.49Å | ||
| 21 | K | 84.3 | Confident | 87.5 | Confident | 146 Ų | 146 | 67.6 Ų | 67.6 | 64% | 0.635 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 129 | 168.2 | 176.3 | 174.9 | -177.5 | -177.6 | 0 | 110.1 | L6 T8 | L6-K21 VanDerWaalsContact O-CD 3.3Å; L6-K21 WeakPolarHBondContact O-CD 3.11Å; L6-K21 WeakPolarHBondContact O-CE 3.48Å; L6-K21 VanDerWaalsContact O-CG 3.32Å; L6-K21 WeakPolarHBondContact O-CG 3.29Å; T8-K21 PolarHBondContact OG1-N 3.18Å |
| 22 | G | 77.6 | Confident | 86.5 | Confident | 47 Ų | 47 | 71.1 Ų | 71.1 | 49% | 0.485 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.5 | -11.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A5 N20 | A5-G22 PolarHBondContact O-N 3.1Å; N20-G22 PolarHBondContact O-N 3.34Å |
| 23 | D | 86 | Confident | 86.2 | Confident | 39 Ų | 39 | 68 Ų | 68 | 21% | 0.209 | 37% | 0.366 | C | S | . | . | trans | -62.2 | 143.4 | 175.8 | -72.8 | -6.3 | 0 | 0 | 0 | 111.1 | A5 F19 N20 L41 | A5-D23 HydrophobicContact CB-CB 4.31Å; A5-D23 PolarHBondContact N-O 2.82Å; F19-D23 HydrophobicContact CB-CB 4.3Å; N20-D23 PolarHBondContact N-OD2 2.89Å; N20-D23 VanDerWaalsContact O-CB 3.28Å; N20-D23 WeakPolarHBondContact O-CB 3.12Å; N20-D23 VanDerWaalsContact O-CG 3.3Å; N20-D23 PolarHBondContact O-N 3.49Å; D23-L41 HydrophobicContact CB-CD2 4.26Å | ||
| 24 | M | 82.6 | Confident | 85.6 | Confident | 77 Ų | 77 | 66.6 Ų | 66.6 | 38% | 0.379 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 113 | 174.1 | -67.4 | -60.7 | -63.6 | 0 | 0 | 109.4 | E2 V4 L41 | E2-M24 HydrophobicContact CB-CE 4.09Å; E2-M24 WeakPolarHBondContact OE2-CE 3.39Å; V4-M24 HydrophobicContact CB-SD 3.91Å; V4-M24 HydrophobicContact CG2-SD 4.14Å; M24-L41 WeakPolarHBondContact O-CD1 2.66Å |
| 25 | L | 86.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 130.1 | -175.5 | -60.7 | 168.8 | 0 | 0 | 0 | 110.1 | E2 A3 A5 L17 F19 I27 A39 L41 V48 I53 | E2-L25 WeakPolarHBondContact CA-O 3.29Å; A3-L25 HydrophobicContact CB-CB 4.5Å; A3-L25 PolarHBondContact N-O 2.85Å; A3-L25 PolarHBondContact O-N 2.74Å; A5-L25 HydrophobicContact CB-CD1 4.41Å; L17-L25 HydrophobicContact CD2-CD2 4.29Å; F19-L25 HydrophobicContact CB-CD2 3.89Å; F19-L25 HydrophobicContact CD1-CD1 4Å; F19-L25 HydrophobicContact CD1-CD2 4.19Å; F19-L25 HydrophobicContact CD2-CD1 4.21Å; F19-L25 HydrophobicContact CE1-CD1 4.16Å; F19-L25 HydrophobicContact CE2-CD1 4.32Å; F19-L25 HydrophobicContact CG-CD1 4.03Å; F19-L25 HydrophobicContact CG-CD2 4.1Å; F19-L25 HydrophobicContact CZ-CD1 4.29Å; L25-I27 HydrophobicContact CB-CD1 4.28Å; L25-I27 PolarHBondContact O-N 2.83Å; L25-A39 HydrophobicContact CB-CB 4.33Å; L25-L41 HydrophobicContact CD2-CB 3.88Å; L25-L41 HydrophobicContact CD2-CD1 4.29Å; L25-L41 HydrophobicContact CD2-CD2 3.88Å; L25-L41 HydrophobicContact CD2-CG 4.22Å; L25-V48 HydrophobicContact CD1-CG1 4.37Å; L25-I53 HydrophobicContact CD1-CB 4.47Å; L25-I53 HydrophobicContact CD1-CG2 3.52Å |
| 26 | R | 84.4 | Confident | 85.1 | Confident | 65 Ų | 65 | 65.3 Ų | 65.3 | 25% | 0.245 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 102.6 | 173.5 | -172.2 | 170.7 | 65.4 | 85.6 | -6 | 109.7 | T28 A39 E40 | R26-T28 PolarHBondContact O-N 2.83Å; R26-A39 CarbonylContact O-C 3.53Å; R26-A39 VanDerWaalsContact O-CA 3.25Å; R26-A39 WeakPolarHBondContact O-CA 3.44Å; R26-E40 IonicContact CZ-OE1 3.68Å; R26-E40 IonicContact CZ-OE2 3.64Å; R26-E40 PolarHBondContact N-O 2.98Å; R26-E40 IonicContact NH2-OE1 3.89Å; R26-E40 PolarHBondContact NH2-OE1 3.21Å; R26-E40 IonicContact NH2-OE2 3.07Å; R26-E40 PolarHBondContact NH2-OE2 3.4Å; R26-E40 PolarHBondContact O-N 3.5Å |
| 27 | I | 85 | Confident | 84.8 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 5% | 0.046 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 122.5 | 176.2 | -48.9 | -53.5 | 0 | 0 | 0 | 109.7 | M1 A3 L25 M30 Y37 A39 V48 I53 L55 | M1-I27 HydrophobicContact CB-CB 4.28Å; M1-I27 PolarHBondContact N-O 2.86Å; M1-I27 VanDerWaalsContact N-O 3.1Å; M1-I27 WeakPolarHBondContact O-CA 3.27Å; M1-I27 WeakPolarHBondContact O-CB 3.28Å; M1-I27 PolarHBondContact O-N 3.24Å; A3-I27 HydrophobicContact CB-CD1 3.86Å; A3-I27 HydrophobicContact CB-CG1 3.85Å; L25-I27 HydrophobicContact CB-CD1 4.28Å; L25-I27 PolarHBondContact O-N 2.83Å; I27-M30 HydrophobicContact CG2-CG 3.5Å; I27-M30 HydrophobicContact CG2-SD 4.15Å; I27-Y37 HydrophobicContact CG2-CD2 4.47Å; I27-Y37 HydrophobicContact CG2-CG 4.22Å; I27-A39 HydrophobicContact CD1-CB 3.65Å; I27-V48 HydrophobicContact CD1-CG2 4.24Å; I27-I53 HydrophobicContact CD1-CD1 3.67Å; I27-I53 HydrophobicContact CG1-CD1 4.48Å; I27-L55 HydrophobicContact CB-CD2 4.49Å; I27-L55 HydrophobicContact CG1-CD2 3.76Å |
| 28 | T | 81.2 | Confident | 84.5 | Confident | 50 Ų | 50 | 66 Ų | 66 | 31% | 0.307 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -27 | -175 | 62.8 | 0 | 0 | 0 | 0 | 113.4 | R26 T38 E40 K45 | R26-T28 PolarHBondContact O-N 2.83Å; T28-T38 PolarHBondContact N-O 2.73Å; T28-T38 PolarHBondContact OG1-O 3.35Å; T28-E40 HydrophobicContact CG2-CB 4.35Å; T28-K45 WeakPolarHBondContact OG1-CE 3.36Å |
| 29 | N | 79.2 | Confident | 84.3 | Confident | 47 Ų | 47 | 63 Ų | 63 | 25% | 0.251 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 137.1 | 171.8 | -161 | -20.3 | 0 | 0 | 0 | 110.9 | E31 D32 T38 | N29-E31 PolarHBondContact OD1-N 3.37Å; N29-D32 PolarHBondContact ND2-OD1 2.97Å; N29-D32 PolarHBondContact ND2-OD2 2.77Å; N29-T38 PolarHBondContact N-O 3.14Å; N29-T38 VanDerWaalsContact N-O 3.13Å; N29-T38 PolarHBondContact O-N 2.78Å |
| 30 | M | 77.3 | Confident | 84.1 | Confident | 76 Ų | 76 | 64.5 Ų | 64.5 | 37% | 0.374 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -122.5 | -7 | -179.9 | -64.5 | -177.9 | -70.5 | 0 | 0 | 114.2 | M1 I27 Y37 L55 | M1-M30 HydrophobicContact SD-CE 3.84Å; M1-M30 HydrophobicContact SD-SD 3.56Å; I27-M30 HydrophobicContact CG2-CG 3.5Å; I27-M30 HydrophobicContact CG2-SD 4.15Å; M30-Y37 HydrophobicContact CB-CD1 3.91Å; M30-Y37 HydrophobicContact CB-CE1 3.67Å; M30-Y37 HydrophobicContact CG-CD1 3.84Å; M30-Y37 HydrophobicContact CG-CE1 3.75Å; M30-Y37 HydrophobicContact CG-CG 4.41Å; M30-L55 HydrophobicContact SD-CD1 4.39Å; M30-L55 HydrophobicContact SD-CD2 4.41Å |
| 31 | E | 72.6 | Confident | 84 | Confident | 170 Ų | 170 | 60.8 Ų | 60.8 | 79% | 0.794 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -103.9 | -15.8 | -165.6 | -62.3 | -176.4 | 177.5 | 0 | 0 | 113.3 | N29 | N29-E31 PolarHBondContact OD1-N 3.37Š|
| 32 | D | 74.6 | Confident | 84.1 | Confident | 110 Ų | 110 | 61 Ų | 61 | 59% | 0.588 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -74.4 | -34 | -170.8 | -65.1 | -12.5 | 0 | 0 | 0 | 113.9 | N29 | N29-D32 PolarHBondContact ND2-OD1 2.97Å; N29-D32 PolarHBondContact ND2-OD2 2.77Å |
| 33 | D | 84.8 | Confident | 84.3 | Confident | 57 Ų | 57 | 65.2 Ų | 65.2 | 31% | 0.305 | 33% | 0.329 | S | S | . | . | trans | -144 | 143.1 | -171.4 | -174.1 | -83 | 0 | 0 | 0 | 112.2 | N35 W36 K50 | D33-N35 PolarHBondContact O-N 3.4Å; D33-N35 WeakPolarHBondContact OD1-CA 3.45Å; D33-N35 PolarHBondContact OD1-N 3.25Å; D33-W36 HydrophobicContact CB-CB 4.13Å; D33-W36 PolarHBondContact OD1-N 2.92Å; D33-K50 WeakPolarHBondContact O-CE 3.43Å; D33-K50 PolarHBondContact O-NZ 2.95Å | ||
| 34 | P | 79.1 | Confident | 84.4 | Confident | 99 Ų | 99 | 72 Ų | 72 | 64% | 0.643 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -67.8 | -27.2 | 179.2 | 25 | -35.1 | 0 | 0 | 0 | 114.9 | K50 | P34-K50 VanDerWaalsContact C-CE 3.48Å; P34-K50 VanDerWaalsContact O-CD 3.24Å; P34-K50 WeakPolarHBondContact O-CD 3.28Å; P34-K50 WeakPolarHBondContact O-CE 3.49Å; P34-K50 PolarHBondContact O-NZ 3.35Å |
| 35 | N | 86.4 | Confident | 84.9 | Confident | 109 Ų | 109 | 74.6 Ų | 74.6 | 58% | 0.583 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -112.2 | -16 | -172.9 | -61 | -49.3 | 0 | 0 | 0 | 114 | D33 K50 | D33-N35 PolarHBondContact O-N 3.4Å; D33-N35 WeakPolarHBondContact OD1-CA 3.45Å; D33-N35 PolarHBondContact OD1-N 3.25Å; N35-K50 VanDerWaalsContact O-CG 3.29Å; N35-K50 WeakPolarHBondContact O-CG 3.41Å; N35-K50 PolarHBondContact O-N 2.93Å |
| 36 | W | 89.9 | Confident | 85.3 | Confident | 69 Ų | 69 | 74.9 Ų | 74.9 | 26% | 0.261 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 150.1 | -176.9 | -65.1 | 91 | 0 | 0 | 0 | 112.9 | F9 E16 D33 F47 P49 K50 | F9-W36 HydrophobicContact CE1-CH2 4.5Å; F9-W36 HydrophobicContact CE1-CZ3 4.32Å; F9-W36 HydrophobicContact CE2-CH2 4.39Å; F9-W36 AromaticContact CZ-CH2 3.79Å; F9-W36 HydrophobicContact CZ-CH2 3.79Å; F9-W36 HydrophobicContact CZ-CZ3 4.04Å; E16-W36 HydrophobicContact CG-CH2 4.06Å; E16-W36 HydrophobicContact CG-CZ3 4.08Å; E16-W36 WeakPolarHBondContact OE1-CH2 3.48Å; D33-W36 HydrophobicContact CB-CB 4.13Å; D33-W36 PolarHBondContact OD1-N 2.92Å; W36-F47 HydrophobicContact CB-CD1 4.16Å; W36-F47 HydrophobicContact CD2-CB 4.24Å; W36-F47 HydrophobicContact CE3-CB 3.57Å; W36-F47 HydrophobicContact CZ3-CB 4.06Å; W36-P49 HydrophobicContact CE3-CB 4.43Å; W36-P49 HydrophobicContact CE3-CG 4.16Å; W36-P49 HydrophobicContact CH2-CB 4.5Å; W36-P49 HydrophobicContact CH2-CG 3.77Å; W36-P49 HydrophobicContact CZ2-CG 4.5Å; W36-P49 HydrophobicContact CZ3-CB 4.29Å; W36-P49 VanDerWaalsContact CZ3-CD 3.48Å; W36-P49 HydrophobicContact CZ3-CG 3.58Å; W36-K50 WeakPolarHBondContact O-CE 3.45Å |
| 37 | Y | 88.6 | Confident | 85.8 | Confident | 36 Ų | 36 | 74.8 Ų | 74.8 | 14% | 0.141 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 153.9 | 164.6 | -68.3 | -37.7 | 0 | 0 | 0 | 110 | I27 M30 F47 V48 K50 I53 L55 | I27-Y37 HydrophobicContact CG2-CD2 4.47Å; I27-Y37 HydrophobicContact CG2-CG 4.22Å; M30-Y37 HydrophobicContact CB-CD1 3.91Å; M30-Y37 HydrophobicContact CB-CE1 3.67Å; M30-Y37 HydrophobicContact CG-CD1 3.84Å; M30-Y37 HydrophobicContact CG-CE1 3.75Å; M30-Y37 HydrophobicContact CG-CG 4.41Å; Y37-F47 CarbonylContact O-C 3.6Å; Y37-F47 VanDerWaalsContact O-CA 3.31Å; Y37-F47 WeakPolarHBondContact O-CA 3.34Å; Y37-V48 PolarHBondContact N-O 3.48Å; Y37-V48 PolarHBondContact O-N 3.36Å; Y37-K50 HydrophobicContact CD1-CD 4.05Å; Y37-K50 VanDerWaalsContact CD1-CE 3.44Å; Y37-K50 HydrophobicContact CD1-CG 3.96Å; Y37-K50 HydrophobicContact CD2-CB 4.49Å; Y37-K50 HydrophobicContact CD2-CD 4.45Å; Y37-K50 HydrophobicContact CD2-CG 3.69Å; Y37-K50 HydrophobicContact CE1-CD 3.61Å; Y37-K50 HydrophobicContact CE1-CG 3.89Å; Y37-K50 HydrophobicContact CE2-CB 4.18Å; Y37-K50 HydrophobicContact CE2-CD 3.99Å; Y37-K50 HydrophobicContact CE2-CG 3.55Å; Y37-K50 HydrophobicContact CG-CD 4.48Å; Y37-K50 HydrophobicContact CG-CG 3.89Å; Y37-I53 HydrophobicContact CD2-CD1 3.63Å; Y37-I53 HydrophobicContact CD2-CG1 4.48Å; Y37-I53 HydrophobicContact CE2-CD1 4.27Å; Y37-L55 HydrophobicContact CD2-CD2 4.36Å; Y37-L55 HydrophobicContact CE2-CD1 3.55Å; Y37-L55 HydrophobicContact CE2-CD2 3.97Å; Y37-L55 HydrophobicContact CE2-CG 3.76Å; Y37-L55 VanDerWaalsContact OH-CD1 3.3Å; Y37-L55 WeakPolarHBondContact OH-CD1 3.21Å |
| 38 | T | 90.6 | Very high | 86.2 | Confident | 14 Ų | 14 | 74.4 Ų | 74.4 | 9% | 0.086 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 117.7 | 169.6 | -48.1 | 0 | 0 | 0 | 0 | 108.5 | T28 N29 K45 F47 | T28-T38 PolarHBondContact N-O 2.73Å; T28-T38 PolarHBondContact OG1-O 3.35Å; N29-T38 PolarHBondContact N-O 3.14Å; N29-T38 VanDerWaalsContact N-O 3.13Å; N29-T38 PolarHBondContact O-N 2.78Å; T38-K45 HydrophobicContact CG2-CD 4.24Å; T38-K45 HydrophobicContact CG2-CG 3.95Å; T38-F47 WeakPolarHBondContact OG1-CE1 3.43Å |
| 39 | A | 91.9 | Very high | 86.6 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 166 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L17 L25 R26 I27 K45 G46 V48 | L17-A39 HydrophobicContact CD2-CB 4.08Å; L25-A39 HydrophobicContact CB-CB 4.33Å; R26-A39 CarbonylContact O-C 3.53Å; R26-A39 VanDerWaalsContact O-CA 3.25Å; R26-A39 WeakPolarHBondContact O-CA 3.44Å; I27-A39 HydrophobicContact CD1-CB 3.65Å; A39-K45 VanDerWaalsContact O-CA 3.27Å; A39-K45 WeakPolarHBondContact O-CA 3.42Å; A39-K45 WeakPolarHBondContact O-CG 3.48Å; A39-G46 PolarHBondContact N-O 3.4Å; A39-G46 PolarHBondContact O-N 2.88Å; A39-V48 HydrophobicContact CB-CB 4.4Å; A39-V48 HydrophobicContact CB-CG1 3.79Å; A39-V48 HydrophobicContact CB-CG2 3.65Å |
| 40 | E | 90.9 | Very high | 87 | Confident | 37 Ų | 37 | 72.6 Ų | 72.6 | 17% | 0.173 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 136.7 | 173.6 | -163.8 | 179.7 | 118.7 | 0 | 0 | 110.7 | R26 T28 R44 K45 | R26-E40 IonicContact CZ-OE1 3.68Å; R26-E40 IonicContact CZ-OE2 3.64Å; R26-E40 PolarHBondContact N-O 2.98Å; R26-E40 IonicContact NH2-OE1 3.89Å; R26-E40 PolarHBondContact NH2-OE1 3.21Å; R26-E40 IonicContact NH2-OE2 3.07Å; R26-E40 PolarHBondContact NH2-OE2 3.4Å; R26-E40 PolarHBondContact O-N 3.5Å; T28-E40 HydrophobicContact CG2-CB 4.35Å; E40-R44 CarbonylContact C-O 3.53Å; E40-R44 VanDerWaalsContact CA-O 3.23Å; E40-R44 WeakPolarHBondContact CA-O 3.29Å; E40-R44 WeakPolarHBondContact CG-O 3.45Å; E40-K45 HydrophobicContact CG-CB 4.37Å |
| 41 | L | 91.3 | Very high | 87.3 | Confident | 20 Ų | 20 | 74.5 Ų | 74.5 | 11% | 0.105 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 127.1 | 176.6 | -177.7 | 66 | 0 | 0 | 0 | 109.2 | L17 F19 D23 M24 L25 N43 R44 | L17-L41 HydrophobicContact CD1-CB 4.37Å; L17-L41 HydrophobicContact CD2-CB 3.86Å; L17-L41 HydrophobicContact CG-CB 4.42Å; F19-L41 HydrophobicContact CB-CD2 3.8Å; D23-L41 HydrophobicContact CB-CD2 4.26Å; M24-L41 WeakPolarHBondContact O-CD1 2.66Å; L25-L41 HydrophobicContact CD2-CB 3.88Å; L25-L41 HydrophobicContact CD2-CD1 4.29Å; L25-L41 HydrophobicContact CD2-CD2 3.88Å; L25-L41 HydrophobicContact CD2-CG 4.22Å; L41-N43 VanDerWaalsContact C-N 3.31Å; L41-N43 PolarHBondContact O-N 3.13Å; L41-R44 PolarHBondContact N-O 3.33Å; L41-R44 WeakPolarHBondContact O-CB 3.46Å; L41-R44 PolarHBondContact O-N 3.09Å |
| 42 | H | 86.1 | Confident | 88 | Confident | 150 Ų | 150 | 70.2 Ų | 70.2 | 69% | 0.694 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.8 | 47.4 | -178.4 | -52.4 | 124.9 | 0 | 0 | 0 | 113.3 | R44 | H42-R44 PolarHBondContact O-N 2.75Å; H42-R44 VanDerWaalsContact O-N 3.09Å |
| 43 | N | 81.6 | Confident | 88.3 | Confident | 135 Ų | 135 | 65.4 Ų | 65.4 | 72% | 0.722 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 12.4 | -175.5 | -62.7 | -12.6 | 0 | 0 | 0 | 115.5 | L41 | L41-N43 VanDerWaalsContact C-N 3.31Å; L41-N43 PolarHBondContact O-N 3.13Å |
| 44 | R | 89.2 | Confident | 87.8 | Confident | 181 Ų | 181 | 65.9 Ų | 65.9 | 68% | 0.683 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 130 | 170.2 | -72.1 | -169.5 | -97.7 | -178.9 | -7.6 | 109.6 | L17 E40 L41 H42 | L17-R44 HydrophobicContact CD1-CB 3.82Å; L17-R44 WeakPolarHBondContact CD1-O 2.99Å; E40-R44 CarbonylContact C-O 3.53Å; E40-R44 VanDerWaalsContact CA-O 3.23Å; E40-R44 WeakPolarHBondContact CA-O 3.29Å; E40-R44 WeakPolarHBondContact CG-O 3.45Å; L41-R44 PolarHBondContact N-O 3.33Å; L41-R44 WeakPolarHBondContact O-CB 3.46Å; L41-R44 PolarHBondContact O-N 3.09Å; H42-R44 PolarHBondContact O-N 2.75Å; H42-R44 VanDerWaalsContact O-N 3.09Å |
| 45 | K | 92.4 | Very high | 87.2 | Confident | 133 Ų | 133 | 62.8 Ų | 62.8 | 58% | 0.578 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 141.1 | 179.9 | -171.7 | 177 | 177.2 | 178.8 | 0 | 109.7 | T28 T38 A39 E40 | T28-K45 WeakPolarHBondContact OG1-CE 3.36Å; T38-K45 HydrophobicContact CG2-CD 4.24Å; T38-K45 HydrophobicContact CG2-CG 3.95Å; A39-K45 VanDerWaalsContact O-CA 3.27Å; A39-K45 WeakPolarHBondContact O-CA 3.42Å; A39-K45 WeakPolarHBondContact O-CG 3.48Å; E40-K45 HydrophobicContact CG-CB 4.37Å |
| 46 | G | 94.8 | Very high | 86 | Confident | 6 Ų | 6 | 63.3 Ų | 63.3 | 6% | 0.062 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | -179.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D15 A39 | D15-G46 CarbonylContact O-C 3.48Å; D15-G46 WeakPolarHBondContact O-CA 3.44Å; A39-G46 PolarHBondContact N-O 3.4Å; A39-G46 PolarHBondContact O-N 2.88Å |
| 47 | F | 94.6 | Very high | 84.4 | Confident | 63 Ų | 63 | 64.1 Ų | 64.1 | 28% | 0.276 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 137.5 | 178.8 | -67.8 | -67.2 | 0 | 0 | 0 | 111.6 | D15 L17 W36 Y37 T38 | D15-F47 HydrophobicContact CB-CD2 4.02Å; D15-F47 HydrophobicContact CB-CE2 4.21Å; D15-F47 PolarHBondContact O-N 3.44Å; D15-F47 WeakPolarHBondContact OD2-CD2 3.41Å; D15-F47 WeakPolarHBondContact OD2-CE2 3.4Å; L17-F47 PolarHBondContact N-O 3.39Å; W36-F47 HydrophobicContact CB-CD1 4.16Å; W36-F47 HydrophobicContact CD2-CB 4.24Å; W36-F47 HydrophobicContact CE3-CB 3.57Å; W36-F47 HydrophobicContact CZ3-CB 4.06Å; Y37-F47 CarbonylContact O-C 3.6Å; Y37-F47 VanDerWaalsContact O-CA 3.31Å; Y37-F47 WeakPolarHBondContact O-CA 3.34Å; T38-F47 WeakPolarHBondContact OG1-CE1 3.43Å |
| 48 | V | 93.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 138.3 | 173.5 | -59.8 | 0 | 0 | 0 | 0 | 110.4 | L17 F19 L25 I27 Y37 A39 K50 I53 | L17-V48 HydrophobicContact CB-CG1 3.83Å; L17-V48 HydrophobicContact CD2-CG1 4.05Å; L17-V48 HydrophobicContact CG-CG1 4.34Å; F19-V48 HydrophobicContact CD1-CB 4.5Å; F19-V48 HydrophobicContact CD1-CG1 3.82Å; F19-V48 HydrophobicContact CE1-CB 3.72Å; F19-V48 HydrophobicContact CE1-CG1 3.51Å; F19-V48 HydrophobicContact CZ-CB 4.4Å; L25-V48 HydrophobicContact CD1-CG1 4.37Å; I27-V48 HydrophobicContact CD1-CG2 4.24Å; Y37-V48 PolarHBondContact N-O 3.48Å; Y37-V48 PolarHBondContact O-N 3.36Å; A39-V48 HydrophobicContact CB-CB 4.4Å; A39-V48 HydrophobicContact CB-CG1 3.79Å; A39-V48 HydrophobicContact CB-CG2 3.65Å; V48-K50 PolarHBondContact O-N 3.16Å; V48-I53 HydrophobicContact CG2-CD1 3.88Å |
| 49 | P | 89.4 | Confident | 82.4 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 132.3 | -179.4 | -12.4 | 25 | 0 | 0 | 0 | 110.8 | F9 W36 N51 Y52 | F9-P49 HydrophobicContact CD2-CG 3.79Å; F9-P49 HydrophobicContact CE1-CG 4.38Å; F9-P49 HydrophobicContact CE2-CG 3.66Å; F9-P49 HydrophobicContact CG-CG 4.24Å; F9-P49 HydrophobicContact CZ-CG 3.99Å; W36-P49 HydrophobicContact CE3-CB 4.43Å; W36-P49 HydrophobicContact CE3-CG 4.16Å; W36-P49 HydrophobicContact CH2-CB 4.5Å; W36-P49 HydrophobicContact CH2-CG 3.77Å; W36-P49 HydrophobicContact CZ2-CG 4.5Å; W36-P49 HydrophobicContact CZ3-CB 4.29Å; W36-P49 VanDerWaalsContact CZ3-CD 3.48Å; W36-P49 HydrophobicContact CZ3-CG 3.58Å; P49-N51 VanDerWaalsContact C-N 3.27Å; P49-N51 WeakPolarHBondContact CB-OD1 3.25Å; P49-N51 PolarHBondContact O-N 3.48Å; P49-Y52 HydrophobicContact CB-CD2 3.77Å; P49-Y52 HydrophobicContact CB-CG 4.18Å; P49-Y52 HydrophobicContact CG-CD2 4.04Å; P49-Y52 HydrophobicContact CG-CG 4.14Å; P49-Y52 PolarHBondContact O-N 3.18Å |
| 50 | K | 86.4 | Confident | 82.1 | Confident | 51 Ų | 51 | 67 Ų | 67 | 22% | 0.222 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -59.3 | -36.8 | -178.5 | -67.5 | -175.2 | -166.1 | -174.2 | 0 | 113.1 | D33 P34 N35 W36 Y37 V48 Y52 I53 | D33-K50 WeakPolarHBondContact O-CE 3.43Å; D33-K50 PolarHBondContact O-NZ 2.95Å; P34-K50 VanDerWaalsContact C-CE 3.48Å; P34-K50 VanDerWaalsContact O-CD 3.24Å; P34-K50 WeakPolarHBondContact O-CD 3.28Å; P34-K50 WeakPolarHBondContact O-CE 3.49Å; P34-K50 PolarHBondContact O-NZ 3.35Å; N35-K50 VanDerWaalsContact O-CG 3.29Å; N35-K50 WeakPolarHBondContact O-CG 3.41Å; N35-K50 PolarHBondContact O-N 2.93Å; W36-K50 WeakPolarHBondContact O-CE 3.45Å; Y37-K50 HydrophobicContact CD1-CD 4.05Å; Y37-K50 VanDerWaalsContact CD1-CE 3.44Å; Y37-K50 HydrophobicContact CD1-CG 3.96Å; Y37-K50 HydrophobicContact CD2-CB 4.49Å; Y37-K50 HydrophobicContact CD2-CD 4.45Å; Y37-K50 HydrophobicContact CD2-CG 3.69Å; Y37-K50 HydrophobicContact CE1-CD 3.61Å; Y37-K50 HydrophobicContact CE1-CG 3.89Å; Y37-K50 HydrophobicContact CE2-CB 4.18Å; Y37-K50 HydrophobicContact CE2-CD 3.99Å; Y37-K50 HydrophobicContact CE2-CG 3.55Å; Y37-K50 HydrophobicContact CG-CD 4.48Å; Y37-K50 HydrophobicContact CG-CG 3.89Å; V48-K50 PolarHBondContact O-N 3.16Å; K50-Y52 PolarHBondContact O-N 2.81Å; K50-I53 PolarHBondContact O-N 2.76Å |
| 51 | N | 84.7 | Confident | 81.9 | Confident | 116 Ų | 116 | 67 Ų | 67 | 62% | 0.62 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -75.9 | -6.6 | 179.6 | 63.4 | -32.3 | 0 | 0 | 0 | 114 | P49 | P49-N51 VanDerWaalsContact C-N 3.27Å; P49-N51 WeakPolarHBondContact CB-OD1 3.25Å; P49-N51 PolarHBondContact O-N 3.48Å |
| 52 | Y | 86.9 | Confident | 81.4 | Confident | 80 Ų | 80 | 67.3 Ų | 67.3 | 31% | 0.314 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -95 | -7.2 | 177.7 | -85.7 | -117.4 | 0 | 0 | 0 | 113.2 | L6 Y7 F9 P49 K50 | L6-Y52 PolarHBondContact N-O 2.82Å; Y7-Y52 HydrophobicContact CD2-CD1 4.3Å; Y7-Y52 HydrophobicContact CD2-CG 4.37Å; F9-Y52 HydrophobicContact CB-CD1 3.94Å; F9-Y52 HydrophobicContact CB-CE1 4.41Å; F9-Y52 HydrophobicContact CD2-CD1 4.18Å; F9-Y52 HydrophobicContact CD2-CE1 4.14Å; F9-Y52 HydrophobicContact CG-CD1 4.47Å; P49-Y52 HydrophobicContact CB-CD2 3.77Å; P49-Y52 HydrophobicContact CB-CG 4.18Å; P49-Y52 HydrophobicContact CG-CD2 4.04Å; P49-Y52 HydrophobicContact CG-CG 4.14Å; P49-Y52 PolarHBondContact O-N 3.18Å; K50-Y52 PolarHBondContact O-N 2.81Å |
| 53 | I | 81.3 | Confident | 81.2 | Confident | 9 Ų | 9 | 60.8 Ų | 60.8 | 5% | 0.046 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 144.9 | -172.9 | 72.8 | 174.1 | 0 | 0 | 0 | 109 | A3 V4 F19 L25 I27 Y37 V48 K50 | A3-I53 HydrophobicContact CB-CB 3.93Å; A3-I53 HydrophobicContact CB-CD1 3.53Å; A3-I53 HydrophobicContact CB-CG1 3.98Å; V4-I53 CarbonylContact O-C 3.51Å; V4-I53 WeakPolarHBondContact O-CA 3.34Å; F19-I53 HydrophobicContact CE2-CG2 4.16Å; F19-I53 HydrophobicContact CZ-CG2 3.88Å; L25-I53 HydrophobicContact CD1-CB 4.47Å; L25-I53 HydrophobicContact CD1-CG2 3.52Å; I27-I53 HydrophobicContact CD1-CD1 3.67Å; I27-I53 HydrophobicContact CG1-CD1 4.48Å; Y37-I53 HydrophobicContact CD2-CD1 3.63Å; Y37-I53 HydrophobicContact CD2-CG1 4.48Å; Y37-I53 HydrophobicContact CE2-CD1 4.27Å; V48-I53 HydrophobicContact CG2-CD1 3.88Å; K50-I53 PolarHBondContact O-N 2.76Å |
| 54 | N | 73.5 | Confident | 81.2 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 106.2 | 166 | -170.1 | 10 | 0 | 0 | 0 | 106.4 | A3 V4 L6 R56 | A3-N54 CarbonylContact C-O 3.4Å; A3-N54 VanDerWaalsContact CA-O 3.28Å; A3-N54 WeakPolarHBondContact CA-O 3.24Å; V4-N54 HydrophobicContact CG1-CB 3.87Å; V4-N54 PolarHBondContact N-O 3.04Å; V4-N54 PolarHBondContact O-N 3.41Å; L6-N54 HydrophobicContact CD1-CB 4.01Å; L6-N54 HydrophobicContact CD2-CB 3.8Å; L6-N54 HydrophobicContact CG-CB 3.92Å; N54-R56 PolarHBondContact O-N 3.37Å; N54-R56 VanDerWaalsContact O-N 3.16Å |
| 55 | L | 67.6 | Low | 81.1 | Confident | 34 Ų | 34 | 56 Ų | 56 | 18% | 0.178 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.8 | 126.8 | 163.9 | -76 | 174.6 | 0 | 0 | 0 | 106.2 | M1 A3 I27 M30 Y37 P57 | M1-L55 HydrophobicContact CG-CD2 4.31Å; M1-L55 HydrophobicContact SD-CD2 4.02Å; A3-L55 HydrophobicContact CB-CD2 4.15Å; I27-L55 HydrophobicContact CB-CD2 4.49Å; I27-L55 HydrophobicContact CG1-CD2 3.76Å; M30-L55 HydrophobicContact SD-CD1 4.39Å; M30-L55 HydrophobicContact SD-CD2 4.41Å; Y37-L55 HydrophobicContact CD2-CD2 4.36Å; Y37-L55 HydrophobicContact CE2-CD1 3.55Å; Y37-L55 HydrophobicContact CE2-CD2 3.97Å; Y37-L55 HydrophobicContact CE2-CG 3.76Å; Y37-L55 VanDerWaalsContact OH-CD1 3.3Å; Y37-L55 WeakPolarHBondContact OH-CD1 3.21Å; L55-P57 WeakPolarHBondContact O-CD 3.3Å |
| 56 | R | 59.9 | Low | 81 | Confident | 119 Ų | 119 | 51.6 Ų | 51.6 | 45% | 0.449 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 85.4 | 165.8 | -67.2 | -170.1 | 177.3 | -163.2 | 1 | 105.7 | E2 V4 N54 H58 | E2-R56 PolarHBondContact O-N 2.82Å; V4-R56 HydrophobicContact CG1-CG 4.34Å; N54-R56 PolarHBondContact O-N 3.37Å; N54-R56 VanDerWaalsContact O-N 3.16Å; R56-H58 PolarHBondContact O-CD2 3.22Å; R56-H58 PolarHBondContact O-N 3.05Å |
| 57 | P | 56.8 | Low | 81 | Confident | 87 Ų | 87 | 57.2 Ų | 57.2 | 57% | 0.565 | 28% | 0.282 | S | S | * | . | trans | -63.9 | 92.2 | 160.4 | 28.2 | -29.5 | 0 | 0 | 0 | 105.4 | M1 L55 A59 | M1-P57 VanDerWaalsContact CE-CA 3.46Å; M1-P57 HydrophobicContact CE-CB 3.49Å; M1-P57 VanDerWaalsContact CE-CB 3.49Å; L55-P57 WeakPolarHBondContact O-CD 3.3Å; P57-A59 PolarHBondContact O-N 2.82Å | ||
| 58 | H | 66.8 | Low | 81 | Confident | 44 Ų | 44 | 55.6 Ų | 55.6 | 20% | 0.204 | 28% | 0.283 | C | S | . | . | trans | -58.9 | 130 | 164.9 | -79.3 | -85.6 | 0 | 0 | 0 | 107 | R56 W60 F61 N128 | R56-H58 PolarHBondContact O-CD2 3.22Å; R56-H58 PolarHBondContact O-N 3.05Å; H58-W60 HydrophobicContact CB-CD2 3.56Å; H58-W60 HydrophobicContact CB-CE3 4.29Å; H58-W60 HydrophobicContact CB-CG 3.86Å; H58-W60 HydrophobicContact CB-CH2 4.25Å; H58-W60 HydrophobicContact CB-CZ2 3.54Å; H58-W60 VanDerWaalsContact CB-NE1 3.28Å; H58-W60 AromaticContact CD2-CZ2 3.82Å; H58-W60 AromaticContact CG-CE2 3.42Å; H58-W60 VanDerWaalsContact CG-CE2 3.42Å; H58-W60 AromaticContact CG-CZ2 3.46Å; H58-W60 VanDerWaalsContact CG-CZ2 3.46Å; H58-W60 AromaticContact CG-NE1 3.4Å; H58-W60 AromaticContact ND1-CE2 3.79Å; H58-W60 AromaticContact ND1-CZ2 3.98Å; H58-W60 AromaticContact ND1-NE1 3.3Å; H58-W60 PolarHBondContact ND1-NE1 2.91Å; H58-W60 PolarHBondContact O-N 3.32Å; H58-F61 PolarHBondContact O-N 2.93Å; H58-N128 PolarHBondContact CD2-ND2 2.97Å; H58-N128 VanDerWaalsContact CD2-ND2 3.35Å; H58-N128 PolarHBondContact NE2-ND2 3.01Å | ||
| 59 | A | 71.3 | Confident | 80.9 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 49% | 0.488 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -22.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P57 P150 E151 | P57-A59 PolarHBondContact O-N 2.82Å; A59-P150 HydrophobicContact CB-CB 4.05Å; A59-P150 HydrophobicContact CB-CG 4.27Å; A59-E151 HydrophobicContact CB-CG 4.07Å |
| 60 | W | 86 | Confident | 81.1 | Confident | 7 Ų | 7 | 57.8 Ų | 57.8 | 3% | 0.027 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -19.7 | 174.5 | 54.7 | -110.9 | 0 | 0 | 0 | 114.4 | H58 A62 F82 L83 V84 L127 N128 V131 P150 | H58-W60 HydrophobicContact CB-CD2 3.56Å; H58-W60 HydrophobicContact CB-CE3 4.29Å; H58-W60 HydrophobicContact CB-CG 3.86Å; H58-W60 HydrophobicContact CB-CH2 4.25Å; H58-W60 HydrophobicContact CB-CZ2 3.54Å; H58-W60 VanDerWaalsContact CB-NE1 3.28Å; H58-W60 AromaticContact CD2-CZ2 3.82Å; H58-W60 AromaticContact CG-CE2 3.42Å; H58-W60 VanDerWaalsContact CG-CE2 3.42Å; H58-W60 AromaticContact CG-CZ2 3.46Å; H58-W60 VanDerWaalsContact CG-CZ2 3.46Å; H58-W60 AromaticContact CG-NE1 3.4Å; H58-W60 AromaticContact ND1-CE2 3.79Å; H58-W60 AromaticContact ND1-CZ2 3.98Å; H58-W60 AromaticContact ND1-NE1 3.3Å; H58-W60 PolarHBondContact ND1-NE1 2.91Å; H58-W60 PolarHBondContact O-N 3.32Å; W60-A62 PolarHBondContact O-N 2.89Å; W60-F82 HydrophobicContact CB-CD2 4.08Å; W60-F82 HydrophobicContact CB-CE1 4.3Å; W60-F82 HydrophobicContact CB-CE2 3.38Å; W60-F82 HydrophobicContact CB-CZ 3.5Å; W60-F82 AromaticContact CD1-CZ 3.64Å; W60-F82 HydrophobicContact CD2-CE2 4.13Å; W60-F82 HydrophobicContact CD2-CZ 4.45Å; W60-F82 AromaticContact CG-CE2 3.61Å; W60-F82 HydrophobicContact CG-CE2 3.61Å; W60-F82 AromaticContact CG-CZ 3.63Å; W60-F82 HydrophobicContact CG-CZ 3.63Å; W60-L83 CarbonylContact O-C 3.57Å; W60-L83 WeakPolarHBondContact O-CA 3.5Å; W60-L83 WeakPolarHBondContact O-CB 3.46Å; W60-V84 HydrophobicContact CE3-CB 3.8Å; W60-V84 HydrophobicContact CE3-CG2 3.6Å; W60-V84 HydrophobicContact CZ3-CB 3.94Å; W60-V84 HydrophobicContact CZ3-CG2 3.82Å; W60-V84 PolarHBondContact O-N 3.39Å; W60-L127 HydrophobicContact CH2-CB 4.06Å; W60-L127 HydrophobicContact CZ3-CB 4.43Å; W60-N128 WeakPolarHBondContact CH2-OD1 3.27Å; W60-N128 WeakPolarHBondContact CZ2-OD1 3.34Å; W60-V131 HydrophobicContact CD2-CG2 4.18Å; W60-V131 HydrophobicContact CE3-CG2 4.26Å; W60-V131 HydrophobicContact CH2-CG2 4.17Å; W60-V131 HydrophobicContact CZ2-CB 4.27Å; W60-V131 HydrophobicContact CZ2-CG2 4.04Å; W60-V131 HydrophobicContact CZ3-CG2 4.26Å; W60-P150 HydrophobicContact CB-CG 4Å |
| 61 | F | 85.6 | Confident | 81.5 | Confident | 37 Ų | 37 | 58.6 Ų | 58.6 | 16% | 0.162 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 103.7 | 178.2 | -171 | -105.6 | 0 | 0 | 0 | 111 | H58 V84 F94 | H58-F61 PolarHBondContact O-N 2.93Å; F61-V84 HydrophobicContact CD2-CB 4.2Å; F61-V84 HydrophobicContact CD2-CG1 4.15Å; F61-V84 HydrophobicContact CE2-CG1 4.37Å; F61-F94 HydrophobicContact CE2-CD1 4Å; F61-F94 AromaticContact CE2-CE1 3.72Å; F61-F94 HydrophobicContact CE2-CE1 3.72Å; F61-F94 AromaticContact CZ-CE1 3.96Å; F61-F94 HydrophobicContact CZ-CE1 3.96Å |
| 62 | A | 81.4 | Confident | 81.9 | Confident | 27 Ų | 27 | 58.7 Ų | 58.7 | 22% | 0.223 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -4.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | W60 I65 L83 V84 | W60-A62 PolarHBondContact O-N 2.89Å; A62-I65 HydrophobicContact CB-CD1 3.51Å; A62-I65 HydrophobicContact CB-CG1 3.86Å; A62-L83 HydrophobicContact CB-CB 4.31Å; A62-L83 HydrophobicContact CB-CD1 4.07Å; A62-L83 HydrophobicContact CB-CD2 4.3Å; A62-L83 HydrophobicContact CB-CG 4.46Å; A62-V84 PolarHBondContact N-O 3.3Å |
| 63 | G | 81.8 | Confident | 82 | Confident | 13 Ų | 13 | 61.3 Ų | 61.3 | 13% | 0.134 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 63.3 | -139.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I65 R85 E86 | G63-I65 PolarHBondContact O-N 2.81Å; G63-I65 VanDerWaalsContact O-N 3.09Å; G63-R85 WeakPolarHBondContact O-CA 2.89Å; G63-R85 WeakPolarHBondContact O-CB 3.48Å; G63-E86 PolarHBondContact O-N 2.91Å |
| 64 | R | 81.8 | Confident | 82.5 | Confident | 193 Ų | 193 | 61.3 Ų | 61.3 | 73% | 0.728 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -78.6 | 87.1 | 179.2 | -66.6 | -174.2 | 176.7 | -173.4 | 2.3 | 111.5 | E86 | R64-E86 HydrophobicContact CG-CB 4.21Å; R64-E86 HydrophobicContact CG-CG 4.2Å; R64-E86 VanDerWaalsContact CG-OE1 3.28Å; R64-E86 WeakPolarHBondContact CG-OE1 3.28Å; R64-E86 VanDerWaalsContact CG-OE2 3.31Å; R64-E86 WeakPolarHBondContact CG-OE2 3.39Å; R64-E86 IonicContact CZ-OE2 2.79Å; R64-E86 IonicContact NE-OE1 3.44Å; R64-E86 IonicContact NE-OE2 3.6Å; R64-E86 PolarHBondContact NE-OE2 2.75Å; R64-E86 IonicContact NH2-OE2 3.53Å; R64-E86 PolarHBondContact NH2-OE2 3.39Å |
| 65 | I | 86.3 | Confident | 83.2 | Confident | 21 Ų | 21 | 65.4 Ų | 65.4 | 11% | 0.108 | 32% | 0.321 | C | S | . | . | trans | -126.7 | 150.9 | 167.8 | 61.6 | 162.1 | 0 | 0 | 0 | 110.6 | A62 G63 V69 A70 L83 R85 | A62-I65 HydrophobicContact CB-CD1 3.51Å; A62-I65 HydrophobicContact CB-CG1 3.86Å; G63-I65 PolarHBondContact O-N 2.81Å; G63-I65 VanDerWaalsContact O-N 3.09Å; I65-V69 HydrophobicContact CB-CB 4.34Å; I65-V69 HydrophobicContact CB-CG1 4.03Å; I65-V69 HydrophobicContact CD1-CG1 4.22Å; I65-V69 HydrophobicContact CG2-CG1 4.3Å; I65-A70 HydrophobicContact CD1-CB 3.97Å; I65-L83 HydrophobicContact CD1-CD1 3.9Å; I65-L83 HydrophobicContact CD1-CD2 3.94Å; I65-R85 HydrophobicContact CD1-CB 4.45Å; I65-R85 HydrophobicContact CG1-CB 3.72Å | ||
| 66 | S | 91.4 | Very high | 84 | Confident | 41 Ų | 41 | 71.7 Ų | 71.7 | 29% | 0.287 | 35% | 0.349 | S | S | . | . | trans | -71.9 | 159.9 | 177.8 | 69.7 | 0 | 0 | 0 | 0 | 112.6 | G68 V69 A70 E88 | S66-G68 VanDerWaalsContact C-N 3.27Å; S66-G68 PolarHBondContact O-N 2.84Å; S66-V69 PolarHBondContact O-N 3.05Å; S66-V69 VanDerWaalsContact OG-CG2 3.25Å; S66-V69 WeakPolarHBondContact OG-CG2 3.23Å; S66-V69 PolarHBondContact OG-N 2.84Å; S66-V69 VanDerWaalsContact OG-N 3.11Å; S66-A70 PolarHBondContact O-N 3.13Å; S66-E88 WeakPolarHBondContact CA-OE1 3.31Å; S66-E88 WeakPolarHBondContact CA-OE2 2.88Å; S66-E88 WeakPolarHBondContact CB-OE1 3.4Å | ||
| 67 | R | 94.4 | Very high | 85.3 | Confident | 124 Ų | 124 | 71.9 Ų | 71.9 | 47% | 0.468 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -52.6 | -47.6 | 170.5 | -176.1 | -179.3 | 175 | 148.5 | 0.8 | 111 | V69 A70 E71 E88 H106 | R67-V69 PolarHBondContact O-N 3.14Å; R67-A70 WeakPolarHBondContact O-CB 3.37Å; R67-A70 PolarHBondContact O-N 3.45Å; R67-A70 VanDerWaalsContact O-N 3.16Å; R67-E71 HydrophobicContact CG-CG 4.49Å; R67-E71 WeakPolarHBondContact CG-OE1 3.23Å; R67-E71 IonicContact CZ-OE1 3.63Å; R67-E71 IonicContact NE-OE1 3.84Å; R67-E71 PolarHBondContact NE-OE1 3.27Å; R67-E71 IonicContact NH2-OE1 3.92Å; R67-E71 WeakPolarHBondContact O-CG 3.16Å; R67-E71 PolarHBondContact O-N 2.86Å; R67-E88 WeakPolarHBondContact CB-OE2 3.4Å; R67-E88 PolarHBondContact N-OE2 2.99Å; R67-H106 VanDerWaalsContact CZ-CD2 3.46Å; R67-H106 PolarHBondContact NE-CD2 3.44Å; R67-H106 PolarHBondContact NE-NE2 3.29Å; R67-H106 PolarHBondContact NH2-CD2 3.43Å |
| 68 | G | 94.8 | Very high | 86.8 | Confident | 29 Ų | 29 | 73.5 Ų | 73.5 | 30% | 0.299 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.4 | -37.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S66 E71 N72 | S66-G68 VanDerWaalsContact C-N 3.27Å; S66-G68 PolarHBondContact O-N 2.84Å; G68-E71 PolarHBondContact O-N 3.14Å; G68-N72 WeakPolarHBondContact O-CB 3.48Å; G68-N72 PolarHBondContact O-N 3.1Å; G68-N72 PolarHBondContact O-ND2 2.93Å |
| 69 | V | 91.5 | Very high | 88 | Confident | 55 Ų | 55 | 73.6 Ų | 73.6 | 33% | 0.333 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 173.3 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | I65 S66 R67 N72 R73 | I65-V69 HydrophobicContact CB-CB 4.34Å; I65-V69 HydrophobicContact CB-CG1 4.03Å; I65-V69 HydrophobicContact CD1-CG1 4.22Å; I65-V69 HydrophobicContact CG2-CG1 4.3Å; S66-V69 PolarHBondContact O-N 3.05Å; S66-V69 VanDerWaalsContact OG-CG2 3.25Å; S66-V69 WeakPolarHBondContact OG-CG2 3.23Å; S66-V69 PolarHBondContact OG-N 2.84Å; S66-V69 VanDerWaalsContact OG-N 3.11Å; R67-V69 PolarHBondContact O-N 3.14Å; V69-N72 PolarHBondContact O-N 3.34Å; V69-R73 WeakPolarHBondContact O-CG 3.49Å; V69-R73 PolarHBondContact O-N 3.1Å; V69-R73 VanDerWaalsContact O-N 3.1Å |
| 70 | A | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | I65 S66 R67 N72 R73 L74 L83 | I65-A70 HydrophobicContact CD1-CB 3.97Å; S66-A70 PolarHBondContact O-N 3.13Å; R67-A70 WeakPolarHBondContact O-CB 3.37Å; R67-A70 PolarHBondContact O-N 3.45Å; R67-A70 VanDerWaalsContact O-N 3.16Å; A70-N72 PolarHBondContact O-N 3.31Å; A70-R73 PolarHBondContact O-N 3.25Å; A70-L74 WeakPolarHBondContact O-CB 3.49Å; A70-L74 WeakPolarHBondContact O-CG 3.41Å; A70-L74 PolarHBondContact O-N 3.49Å; A70-L74 VanDerWaalsContact O-N 3.13Å; A70-L83 HydrophobicContact CB-CD1 3.91Å; A70-L83 HydrophobicContact CB-CD2 4.25Å; A70-L83 HydrophobicContact CB-CG 4.5Å |
| 71 | E | 95.5 | Very high | 89.4 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 32% | 0.318 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -56.6 | -50 | 175 | -72.7 | 169.8 | -178.1 | 0 | 0 | 110.7 | R67 G68 R73 L74 R75 V104 H106 | R67-E71 HydrophobicContact CG-CG 4.49Å; R67-E71 WeakPolarHBondContact CG-OE1 3.23Å; R67-E71 IonicContact CZ-OE1 3.63Å; R67-E71 IonicContact NE-OE1 3.84Å; R67-E71 PolarHBondContact NE-OE1 3.27Å; R67-E71 IonicContact NH2-OE1 3.92Å; R67-E71 WeakPolarHBondContact O-CG 3.16Å; R67-E71 PolarHBondContact O-N 2.86Å; G68-E71 PolarHBondContact O-N 3.14Å; E71-R73 VanDerWaalsContact C-N 3.31Å; E71-R73 PolarHBondContact O-N 3.46Å; E71-L74 PolarHBondContact O-N 3Å; E71-L74 VanDerWaalsContact O-N 3.14Å; E71-R75 VanDerWaalsContact O-CB 3.29Å; E71-R75 WeakPolarHBondContact O-CB 3.43Å; E71-R75 PolarHBondContact O-N 3.45Å; E71-V104 HydrophobicContact CG-CB 4.23Å; E71-V104 HydrophobicContact CG-CG1 4.4Å; E71-H106 WeakPolarHBondContact CG-NE2 3.36Å; E71-H106 IonicContact OE1-CE1 3.97Å; E71-H106 IonicContact OE1-NE2 3.14Å; E71-H106 PolarHBondContact OE1-NE2 2.81Å; E71-H106 VanDerWaalsContact OE1-NE2 3.14Å |
| 72 | N | 92.1 | Very high | 89.9 | Confident | 118 Ų | 118 | 69.1 Ų | 69.1 | 63% | 0.631 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -60 | -37 | 178.5 | -74.8 | -27.2 | 0 | 0 | 0 | 113.4 | G68 V69 A70 L74 | G68-N72 WeakPolarHBondContact O-CB 3.48Å; G68-N72 PolarHBondContact O-N 3.1Å; G68-N72 PolarHBondContact O-ND2 2.93Å; V69-N72 PolarHBondContact O-N 3.34Å; A70-N72 PolarHBondContact O-N 3.31Å; N72-L74 VanDerWaalsContact C-N 3.34Å |
| 73 | R | 89.4 | Confident | 90.4 | Very high | 135 Ų | 135 | 68.4 Ų | 68.4 | 51% | 0.509 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.5 | -29.6 | 178 | -72.6 | -179.8 | -172.1 | -167.9 | 4.4 | 113.1 | V69 A70 E71 R77 L83 | V69-R73 WeakPolarHBondContact O-CG 3.49Å; V69-R73 PolarHBondContact O-N 3.1Å; V69-R73 VanDerWaalsContact O-N 3.1Å; A70-R73 PolarHBondContact O-N 3.25Å; E71-R73 VanDerWaalsContact C-N 3.31Å; E71-R73 PolarHBondContact O-N 3.46Å; R73-R77 WeakPolarHBondContact O-CG 3.48Å; R73-L83 HydrophobicContact CB-CD2 4.42Å |
| 74 | L | 92.8 | Very high | 90.9 | Very high | 10 Ų | 10 | 67.8 Ų | 67.8 | 5% | 0.052 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -104.2 | -21.8 | -171.4 | -69.4 | 177.6 | 0 | 0 | 0 | 114.5 | A70 E71 N72 H76 R77 A81 L83 S97 S99 V104 | A70-L74 WeakPolarHBondContact O-CB 3.49Å; A70-L74 WeakPolarHBondContact O-CG 3.41Å; A70-L74 PolarHBondContact O-N 3.49Å; A70-L74 VanDerWaalsContact O-N 3.13Å; E71-L74 PolarHBondContact O-N 3Å; E71-L74 VanDerWaalsContact O-N 3.14Å; N72-L74 VanDerWaalsContact C-N 3.34Å; L74-H76 PolarHBondContact O-N 2.86Å; L74-R77 WeakPolarHBondContact O-CB 3.36Å; L74-R77 PolarHBondContact O-N 3.16Å; L74-A81 HydrophobicContact CD2-CB 4.23Å; L74-L83 HydrophobicContact CD1-CD2 4.27Å; L74-L83 HydrophobicContact CD1-CG 4.07Å; L74-L83 HydrophobicContact CG-CD2 4.24Å; L74-S97 VanDerWaalsContact CD1-O 3.23Å; L74-S97 WeakPolarHBondContact CD1-O 3.31Å; L74-S99 PolarHBondContact O-OG 2.94Å; L74-V104 HydrophobicContact CB-CG1 4.27Å; L74-V104 HydrophobicContact CB-CG2 3.66Å; L74-V104 HydrophobicContact CD1-CG1 3.96Å |
| 75 | R | 87.8 | Confident | 91.4 | Very high | 153 Ų | 153 | 59.1 Ų | 59.1 | 58% | 0.577 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -31.1 | -172.7 | -172.8 | 176.3 | -172.7 | 171.1 | 2.3 | 114.9 | E71 | E71-R75 VanDerWaalsContact O-CB 3.29Å; E71-R75 WeakPolarHBondContact O-CB 3.43Å; E71-R75 PolarHBondContact O-N 3.45Å |
| 76 | H | 83.1 | Confident | 91.5 | Very high | 165 Ų | 165 | 60.8 Ų | 60.8 | 76% | 0.764 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 21.3 | -179.5 | -57.8 | -61.4 | 0 | 0 | 0 | 112.7 | L74 | L74-H76 PolarHBondContact O-N 2.86Š|
| 77 | R | 87.3 | Confident | 91.1 | Very high | 123 Ų | 123 | 59.3 Ų | 59.3 | 46% | 0.464 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -103.7 | 152.9 | 177.5 | -58.7 | -62.8 | -176.7 | 166 | -2 | 110.3 | R73 L74 A81 S99 | R73-R77 WeakPolarHBondContact O-CG 3.48Å; L74-R77 WeakPolarHBondContact O-CB 3.36Å; L74-R77 PolarHBondContact O-N 3.16Å; R77-A81 HydrophobicContact CB-CB 3.47Å; R77-A81 VanDerWaalsContact CB-CB 3.47Å; R77-A81 HydrophobicContact CG-CB 4.32Å; R77-S99 PolarHBondContact O-OG 2.93Å |
| 78 | E | 89.3 | Confident | 90.6 | Very high | 121 Ų | 121 | 59.2 Ų | 59.2 | 57% | 0.565 | 28% | 0.281 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 159.4 | 178.1 | -58 | -168.9 | 170.8 | 0 | 0 | 112.2 | G80 A81 S99 R148 F153 | E78-G80 PolarHBondContact O-N 3.45Å; E78-A81 VanDerWaalsContact O-CB 3.29Å; E78-A81 WeakPolarHBondContact O-CB 3.49Å; E78-A81 PolarHBondContact O-N 3.11Å; E78-A81 VanDerWaalsContact O-N 3.1Å; E78-S99 WeakPolarHBondContact O-CB 3.41Å; E78-R148 IonicContact OE2-NH1 3.55Å; E78-F153 HydrophobicContact CB-CD1 4.46Å; E78-F153 HydrophobicContact CB-CE1 3.64Å; E78-F153 HydrophobicContact CB-CZ 4.05Å; E78-F153 HydrophobicContact CG-CD1 4.42Å; E78-F153 HydrophobicContact CG-CE1 3.93Å; E78-F153 WeakPolarHBondContact OE2-CE1 3.28Å |
| 79 | C | 92.5 | Very high | 89.8 | Confident | 47 Ų | 47 | 63.1 Ų | 63.1 | 32% | 0.318 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 131.5 | 174.9 | -173.6 | 0 | 0 | 0 | 0 | 110.8 | S99 | C79-S99 WeakPolarHBondContact CA-O 3.46Š|
| 80 | G | 92.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94 | -13.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E78 F82 S99 F146 R148 | E78-G80 PolarHBondContact O-N 3.45Å; G80-F82 PolarHBondContact O-N 3.2Å; G80-S99 PolarHBondContact N-O 3.32Å; G80-F146 WeakPolarHBondContact CA-O 3.31Å; G80-R148 PolarHBondContact O-N 2.78Å |
| 81 | A | 93.3 | Very high | 88.2 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 3% | 0.033 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -60.6 | 132.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | L74 R77 E78 V98 S99 F153 | L74-A81 HydrophobicContact CD2-CB 4.23Å; R77-A81 HydrophobicContact CB-CB 3.47Å; R77-A81 VanDerWaalsContact CB-CB 3.47Å; R77-A81 HydrophobicContact CG-CB 4.32Å; E78-A81 VanDerWaalsContact O-CB 3.29Å; E78-A81 WeakPolarHBondContact O-CB 3.49Å; E78-A81 PolarHBondContact O-N 3.11Å; E78-A81 VanDerWaalsContact O-N 3.1Å; A81-V98 CarbonylContact O-C 3.53Å; A81-V98 WeakPolarHBondContact O-CA 3.25Å; A81-S99 PolarHBondContact O-N 2.74Å; A81-F153 HydrophobicContact CB-CD2 3.86Å; A81-F153 HydrophobicContact CB-CE2 3.56Å; A81-F153 HydrophobicContact CB-CZ 4.14Å |
| 82 | F | 95.4 | Very high | 87 | Confident | 3 Ų | 3 | 67.2 Ų | 67.2 | 1% | 0.013 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 166.3 | -171.6 | 77.1 | -73.8 | 0 | 0 | 0 | 113.3 | W60 G80 M96 S97 V98 V131 L147 R148 | W60-F82 HydrophobicContact CB-CD2 4.08Å; W60-F82 HydrophobicContact CB-CE1 4.3Å; W60-F82 HydrophobicContact CB-CE2 3.38Å; W60-F82 HydrophobicContact CB-CZ 3.5Å; W60-F82 AromaticContact CD1-CZ 3.64Å; W60-F82 HydrophobicContact CD2-CE2 4.13Å; W60-F82 HydrophobicContact CD2-CZ 4.45Å; W60-F82 AromaticContact CG-CE2 3.61Å; W60-F82 HydrophobicContact CG-CE2 3.61Å; W60-F82 AromaticContact CG-CZ 3.63Å; W60-F82 HydrophobicContact CG-CZ 3.63Å; G80-F82 PolarHBondContact O-N 3.2Å; F82-M96 HydrophobicContact CD2-CG 4.38Å; F82-S97 CarbonylContact C-O 3.45Å; F82-S97 WeakPolarHBondContact CA-O 3.35Å; F82-S97 WeakPolarHBondContact CB-O 3.17Å; F82-V98 HydrophobicContact CB-CB 4.44Å; F82-V98 HydrophobicContact CB-CG1 4.44Å; F82-V98 HydrophobicContact CB-CG2 4.02Å; F82-V131 HydrophobicContact CE2-CG1 3.75Å; F82-V131 HydrophobicContact CE2-CG2 3.9Å; F82-V131 HydrophobicContact CZ-CG1 3.45Å; F82-V131 VanDerWaalsContact CZ-CG1 3.45Å; F82-V131 HydrophobicContact CZ-CG2 4.46Å; F82-L147 HydrophobicContact CB-CD2 3.92Å; F82-L147 HydrophobicContact CD1-CB 3.77Å; F82-L147 HydrophobicContact CD1-CD2 4.16Å; F82-L147 HydrophobicContact CD1-CG 4.36Å; F82-L147 HydrophobicContact CD2-CD1 4.06Å; F82-L147 HydrophobicContact CD2-CD2 4.26Å; F82-L147 HydrophobicContact CE1-CB 3.76Å; F82-L147 HydrophobicContact CE2-CD1 4.01Å; F82-L147 HydrophobicContact CG-CB 4.27Å; F82-L147 HydrophobicContact CG-CD1 4.35Å; F82-L147 HydrophobicContact CG-CD2 3.85Å; F82-L147 HydrophobicContact CG-CG 4.36Å; F82-L147 HydrophobicContact CZ-CB 4.24Å; F82-L147 HydrophobicContact CZ-CD1 4.27Å; F82-R148 WeakPolarHBondContact CD1-O 3.05Å; F82-R148 WeakPolarHBondContact CE1-O 3.2Å |
| 83 | L | 92.8 | Very high | 86.6 | Confident | 12 Ų | 12 | 64.4 Ų | 64.4 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 156.3 | 163.4 | 62.2 | 81.6 | 0 | 0 | 0 | 110.4 | W60 A62 I65 A70 R73 L74 R85 M96 S97 | W60-L83 CarbonylContact O-C 3.57Å; W60-L83 WeakPolarHBondContact O-CA 3.5Å; W60-L83 WeakPolarHBondContact O-CB 3.46Å; A62-L83 HydrophobicContact CB-CB 4.31Å; A62-L83 HydrophobicContact CB-CD1 4.07Å; A62-L83 HydrophobicContact CB-CD2 4.3Å; A62-L83 HydrophobicContact CB-CG 4.46Å; I65-L83 HydrophobicContact CD1-CD1 3.9Å; I65-L83 HydrophobicContact CD1-CD2 3.94Å; A70-L83 HydrophobicContact CB-CD1 3.91Å; A70-L83 HydrophobicContact CB-CD2 4.25Å; A70-L83 HydrophobicContact CB-CG 4.5Å; R73-L83 HydrophobicContact CB-CD2 4.42Å; L74-L83 HydrophobicContact CD1-CD2 4.27Å; L74-L83 HydrophobicContact CD1-CG 4.07Å; L74-L83 HydrophobicContact CG-CD2 4.24Å; L83-R85 HydrophobicContact CD1-CB 4.03Å; L83-R85 HydrophobicContact CD1-CG 4.21Å; L83-M96 CarbonylContact O-C 3.59Å; L83-M96 WeakPolarHBondContact O-CA 3.45Å; L83-S97 PolarHBondContact N-O 3.3Å; L83-S97 PolarHBondContact O-N 3.06Å |
| 84 | V | 92.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 132.9 | 169.4 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | W60 F61 A62 F94 S95 M96 L127 V131 | W60-V84 HydrophobicContact CE3-CB 3.8Å; W60-V84 HydrophobicContact CE3-CG2 3.6Å; W60-V84 HydrophobicContact CZ3-CB 3.94Å; W60-V84 HydrophobicContact CZ3-CG2 3.82Å; W60-V84 PolarHBondContact O-N 3.39Å; F61-V84 HydrophobicContact CD2-CB 4.2Å; F61-V84 HydrophobicContact CD2-CG1 4.15Å; F61-V84 HydrophobicContact CE2-CG1 4.37Å; A62-V84 PolarHBondContact N-O 3.3Å; V84-F94 HydrophobicContact CG1-CB 4.1Å; V84-F94 HydrophobicContact CG1-CD1 4.41Å; V84-F94 HydrophobicContact CG1-CG 4.47Å; V84-S95 WeakPolarHBondContact CA-O 3.16Å; V84-M96 HydrophobicContact CG2-CB 4.38Å; V84-M96 HydrophobicContact CG2-CE 3.89Å; V84-M96 HydrophobicContact CG2-CG 4.29Å; V84-L127 HydrophobicContact CG1-CD1 4.33Å; V84-V131 HydrophobicContact CG2-CG2 4.34Å |
| 85 | R | 91.1 | Very high | 86.9 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 4% | 0.042 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 159.8 | 179.8 | 62.9 | -178.8 | -177.7 | 85.2 | 2.3 | 110.6 | G63 I65 L83 E88 F94 S95 S97 | G63-R85 WeakPolarHBondContact O-CA 2.89Å; G63-R85 WeakPolarHBondContact O-CB 3.48Å; I65-R85 HydrophobicContact CD1-CB 4.45Å; I65-R85 HydrophobicContact CG1-CB 3.72Å; L83-R85 HydrophobicContact CD1-CB 4.03Å; L83-R85 HydrophobicContact CD1-CG 4.21Å; R85-E88 IonicContact NH1-OE2 2.64Å; R85-F94 CarbonylContact O-C 3.58Å; R85-F94 WeakPolarHBondContact O-CA 3.34Å; R85-S95 WeakPolarHBondContact CG-O 3.44Å; R85-S95 PolarHBondContact N-O 2.87Å; R85-S95 PolarHBondContact O-N 3.09Å; R85-S97 PolarHBondContact NE-OG 2.64Å |
| 86 | E | 88.6 | Confident | 87.2 | Confident | 55 Ų | 55 | 52.2 Ų | 52.2 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 142 | 167.4 | -71.1 | 179.4 | -134.7 | 0 | 0 | 110.5 | G63 R64 E88 F94 | G63-E86 PolarHBondContact O-N 2.91Å; R64-E86 HydrophobicContact CG-CB 4.21Å; R64-E86 HydrophobicContact CG-CG 4.2Å; R64-E86 VanDerWaalsContact CG-OE1 3.28Å; R64-E86 WeakPolarHBondContact CG-OE1 3.28Å; R64-E86 VanDerWaalsContact CG-OE2 3.31Å; R64-E86 WeakPolarHBondContact CG-OE2 3.39Å; R64-E86 IonicContact CZ-OE2 2.79Å; R64-E86 IonicContact NE-OE1 3.44Å; R64-E86 IonicContact NE-OE2 3.6Å; R64-E86 PolarHBondContact NE-OE2 2.75Å; R64-E86 IonicContact NH2-OE2 3.53Å; R64-E86 PolarHBondContact NH2-OE2 3.39Å; E86-E88 PolarHBondContact O-N 3.39Å; E86-F94 HydrophobicContact CG-CD1 4.24Å; E86-F94 HydrophobicContact CG-CE1 3.95Å |
| 87 | S | 84.1 | Confident | 87.9 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | trans | -75.6 | 118.1 | 178.4 | 179.9 | 0 | 0 | 0 | 0 | 110.3 | S89 A90 E93 | S87-S89 PolarHBondContact O-N 3.5Å; S87-S89 PolarHBondContact OG-OG 2.92Å; S87-S89 VanDerWaalsContact OG-OG 3.14Å; S87-A90 WeakPolarHBondContact CB-O 3.35Å; S87-A90 CarbonylContact O-C 3.46Å; S87-A90 PolarHBondContact O-N 3.45Å; S87-A90 PolarHBondContact OG-N 3.44Å; S87-E93 VanDerWaalsContact CB-O 3.28Å; S87-E93 WeakPolarHBondContact CB-O 3.3Å; S87-E93 PolarHBondContact N-O 3.5Å | ||
| 88 | E | 82.6 | Confident | 88.3 | Confident | 122 Ų | 122 | 38.5 Ų | 38.5 | 57% | 0.57 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -31.6 | 174.3 | -66.3 | 175.9 | 112.5 | 0 | 0 | 112.4 | S66 R67 R85 E86 | S66-E88 WeakPolarHBondContact CA-OE1 3.31Å; S66-E88 WeakPolarHBondContact CA-OE2 2.88Å; S66-E88 WeakPolarHBondContact CB-OE1 3.4Å; R67-E88 WeakPolarHBondContact CB-OE2 3.4Å; R67-E88 PolarHBondContact N-OE2 2.99Å; R85-E88 IonicContact NH1-OE2 2.64Å; E86-E88 PolarHBondContact O-N 3.39Å |
| 89 | S | 79 | Confident | 88.6 | Confident | 111 Ų | 111 | 32.7 Ų | 32.7 | 78% | 0.776 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -14 | -176.5 | 49.3 | 0 | 0 | 0 | 0 | 113.9 | S87 | S87-S89 PolarHBondContact O-N 3.5Å; S87-S89 PolarHBondContact OG-OG 2.92Å; S87-S89 VanDerWaalsContact OG-OG 3.14Å |
| 90 | A | 77.6 | Confident | 88.7 | Confident | 17 Ų | 17 | 31.5 Ų | 31.5 | 14% | 0.14 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -148.1 | 97.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | S87 G92 E93 | S87-A90 WeakPolarHBondContact CB-O 3.35Å; S87-A90 CarbonylContact O-C 3.46Å; S87-A90 PolarHBondContact O-N 3.45Å; S87-A90 PolarHBondContact OG-N 3.44Å; A90-G92 PolarHBondContact O-N 3.36Å; A90-E93 HydrophobicContact CB-CB 4.02Å; A90-E93 HydrophobicContact CB-CG 3.99Å; A90-E93 WeakPolarHBondContact CB-OE2 3.39Å; A90-E93 PolarHBondContact O-N 2.95Å; A90-E93 VanDerWaalsContact O-N 3.1Å |
| 91 | P | 72.1 | Confident | 88.4 | Confident | 130 Ų | 130 | 33.5 Ų | 33.5 | 84% | 0.844 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 129.7 | 178.8 | -25 | 34.5 | 0 | 0 | 0 | 111.9 | E93 | P91-E93 VanDerWaalsContact C-N 3.35Š|
| 92 | G | 70.8 | Confident | 88.3 | Confident | 63 Ų | 63 | 38.8 Ų | 38.8 | 65% | 0.649 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -9.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A90 | A90-G92 PolarHBondContact O-N 3.36Š|
| 93 | E | 84.6 | Confident | 88.2 | Confident | 59 Ų | 59 | 42.4 Ų | 42.4 | 28% | 0.276 | 26% | 0.258 | S | S | . | . | trans | -98.6 | 163.6 | 173.8 | -62.2 | -177.6 | 166.9 | 0 | 0 | 111.9 | S87 A90 P91 K108 | S87-E93 VanDerWaalsContact CB-O 3.28Å; S87-E93 WeakPolarHBondContact CB-O 3.3Å; S87-E93 PolarHBondContact N-O 3.5Å; A90-E93 HydrophobicContact CB-CB 4.02Å; A90-E93 HydrophobicContact CB-CG 3.99Å; A90-E93 WeakPolarHBondContact CB-OE2 3.39Å; A90-E93 PolarHBondContact O-N 2.95Å; A90-E93 VanDerWaalsContact O-N 3.1Å; P91-E93 VanDerWaalsContact C-N 3.35Å; E93-K108 IonicContact OE1-NZ 3.35Å; E93-K108 PolarHBondContact OE1-NZ 2.94Å; E93-K108 WeakPolarHBondContact OE2-CE 3.41Å; E93-K108 IonicContact OE2-NZ 2.73Å; E93-K108 PolarHBondContact OE2-NZ 3.36Å | ||
| 94 | F | 92.1 | Very high | 88.4 | Confident | 29 Ų | 29 | 42.7 Ų | 42.7 | 13% | 0.127 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 158.9 | 179 | -60.3 | -76.3 | 0 | 0 | 0 | 112.1 | F61 V84 R85 E86 V109 Y117 L127 | F61-F94 HydrophobicContact CE2-CD1 4Å; F61-F94 AromaticContact CE2-CE1 3.72Å; F61-F94 HydrophobicContact CE2-CE1 3.72Å; F61-F94 AromaticContact CZ-CE1 3.96Å; F61-F94 HydrophobicContact CZ-CE1 3.96Å; V84-F94 HydrophobicContact CG1-CB 4.1Å; V84-F94 HydrophobicContact CG1-CD1 4.41Å; V84-F94 HydrophobicContact CG1-CG 4.47Å; R85-F94 CarbonylContact O-C 3.58Å; R85-F94 WeakPolarHBondContact O-CA 3.34Å; E86-F94 HydrophobicContact CG-CD1 4.24Å; E86-F94 HydrophobicContact CG-CE1 3.95Å; F94-V109 HydrophobicContact CB-CB 4Å; F94-V109 HydrophobicContact CB-CG2 4.42Å; F94-V109 PolarHBondContact O-N 2.75Å; F94-Y117 HydrophobicContact CD2-CE1 4.14Å; F94-Y117 HydrophobicContact CE2-CE1 4.12Å; F94-L127 HydrophobicContact CD1-CD1 4.31Å; F94-L127 HydrophobicContact CD2-CD1 3.82Å; F94-L127 HydrophobicContact CD2-CD2 4.17Å; F94-L127 HydrophobicContact CD2-CG 4.42Å; F94-L127 HydrophobicContact CE1-CD1 4.34Å; F94-L127 HydrophobicContact CE2-CD1 3.85Å; F94-L127 HydrophobicContact CG-CD1 4.05Å; F94-L127 HydrophobicContact CZ-CD1 4.12Å |
| 95 | S | 95.2 | Very high | 88.6 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 8% | 0.077 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 132.4 | 169.9 | -65.8 | 0 | 0 | 0 | 0 | 109.7 | V84 R85 F107 | V84-S95 WeakPolarHBondContact CA-O 3.16Å; R85-S95 WeakPolarHBondContact CG-O 3.44Å; R85-S95 PolarHBondContact N-O 2.87Å; R85-S95 PolarHBondContact O-N 3.09Å; S95-F107 CarbonylContact C-O 3.47Å; S95-F107 WeakPolarHBondContact CA-O 3.42Å |
| 96 | M | 95.6 | Very high | 88.8 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 121.6 | 172.1 | -177.9 | -179.9 | -71.6 | 0 | 0 | 108.9 | F82 L83 V84 V98 H106 F107 V109 L130 V131 I139 L147 | F82-M96 HydrophobicContact CD2-CG 4.38Å; L83-M96 CarbonylContact O-C 3.59Å; L83-M96 WeakPolarHBondContact O-CA 3.45Å; V84-M96 HydrophobicContact CG2-CB 4.38Å; V84-M96 HydrophobicContact CG2-CE 3.89Å; V84-M96 HydrophobicContact CG2-CG 4.29Å; M96-V98 HydrophobicContact CG-CG2 3.92Å; M96-V98 HydrophobicContact SD-CG2 4.26Å; M96-H106 CarbonylContact O-C 3.56Å; M96-H106 WeakPolarHBondContact O-CA 3.32Å; M96-F107 HydrophobicContact CB-CB 4.32Å; M96-F107 PolarHBondContact N-O 3.15Å; M96-F107 PolarHBondContact O-N 3.35Å; M96-V109 HydrophobicContact CB-CG2 4Å; M96-L130 HydrophobicContact CE-CD2 3.4Å; M96-L130 VanDerWaalsContact CE-CD2 3.4Å; M96-V131 HydrophobicContact CE-CG2 3.78Å; M96-I139 HydrophobicContact SD-CD1 4.38Å; M96-L147 HydrophobicContact CE-CD1 3.75Å; M96-L147 HydrophobicContact SD-CD1 3.56Å; M96-L147 VanDerWaalsContact SD-CD1 3.56Å; M96-L147 HydrophobicContact SD-CD2 3.88Å; M96-L147 HydrophobicContact SD-CG 4.35Å |
| 97 | S | 96.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 127.4 | 178.2 | -50.4 | 0 | 0 | 0 | 0 | 108.4 | L74 F82 L83 R85 Q105 H106 | L74-S97 VanDerWaalsContact CD1-O 3.23Å; L74-S97 WeakPolarHBondContact CD1-O 3.31Å; F82-S97 CarbonylContact C-O 3.45Å; F82-S97 WeakPolarHBondContact CA-O 3.35Å; F82-S97 WeakPolarHBondContact CB-O 3.17Å; L83-S97 PolarHBondContact N-O 3.3Å; L83-S97 PolarHBondContact O-N 3.06Å; R85-S97 PolarHBondContact NE-OG 2.64Å; S97-Q105 CarbonylContact C-O 3.39Å; S97-Q105 WeakPolarHBondContact CA-O 3.48Å; S97-H106 WeakPolarHBondContact CB-ND1 3.4Å; S97-H106 PolarHBondContact OG-ND1 3.09Å |
| 98 | V | 96.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 128.3 | -172.3 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | A81 F82 M96 Y100 V104 Q105 F107 V145 L147 | A81-V98 CarbonylContact O-C 3.53Å; A81-V98 WeakPolarHBondContact O-CA 3.25Å; F82-V98 HydrophobicContact CB-CB 4.44Å; F82-V98 HydrophobicContact CB-CG1 4.44Å; F82-V98 HydrophobicContact CB-CG2 4.02Å; M96-V98 HydrophobicContact CG-CG2 3.92Å; M96-V98 HydrophobicContact SD-CG2 4.26Å; V98-Y100 HydrophobicContact CB-CD2 4.4Å; V98-Y100 HydrophobicContact CB-CE2 4.13Å; V98-Y100 HydrophobicContact CG1-CD2 4.24Å; V98-Y100 HydrophobicContact CG1-CE2 4.03Å; V98-Y100 PolarHBondContact O-N 2.81Å; V98-V104 WeakPolarHBondContact O-CA 3.46Å; V98-Q105 PolarHBondContact N-O 3.11Å; V98-Q105 PolarHBondContact O-N 2.79Å; V98-F107 HydrophobicContact CB-CE2 4.16Å; V98-F107 HydrophobicContact CG2-CD2 3.86Å; V98-F107 HydrophobicContact CG2-CE2 3.86Å; V98-V145 HydrophobicContact CG1-CG1 4.2Å; V98-L147 HydrophobicContact CG1-CD2 4.17Å; V98-L147 HydrophobicContact CG2-CD2 3.76Å |
| 99 | S | 95.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 127.3 | 170.9 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | L74 R77 E78 C79 G80 A81 G101 | L74-S99 PolarHBondContact O-OG 2.94Å; R77-S99 PolarHBondContact O-OG 2.93Å; E78-S99 WeakPolarHBondContact O-CB 3.41Å; C79-S99 WeakPolarHBondContact CA-O 3.46Å; G80-S99 PolarHBondContact N-O 3.32Å; A81-S99 PolarHBondContact O-N 2.74Å; S99-G101 PolarHBondContact OG-N 2.77Å |
| 100 | Y | 93.8 | Very high | 90.8 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 8% | 0.082 | 24% | 0.24 | C | C | . | . | trans | -97 | 2.9 | 173.2 | -89 | -130.6 | 0 | 0 | 0 | 111.6 | V98 D102 H103 Q105 F107 A140 R143 V145 | V98-Y100 HydrophobicContact CB-CD2 4.4Å; V98-Y100 HydrophobicContact CB-CE2 4.13Å; V98-Y100 HydrophobicContact CG1-CD2 4.24Å; V98-Y100 HydrophobicContact CG1-CE2 4.03Å; V98-Y100 PolarHBondContact O-N 2.81Å; Y100-D102 VanDerWaalsContact C-N 3.34Å; Y100-H103 WeakPolarHBondContact CB-O 3.41Å; Y100-H103 AromaticContact CD1-CE1 3.91Å; Y100-H103 AromaticContact CD1-NE2 3.73Å; Y100-H103 AromaticContact CG-NE2 3.85Å; Y100-H103 PolarHBondContact N-O 3.09Å; Y100-Q105 HydrophobicContact CD2-CB 3.67Å; Y100-Q105 HydrophobicContact CE2-CB 3.54Å; Y100-Q105 HydrophobicContact CE2-CG 4.17Å; Y100-Q105 HydrophobicContact CG-CB 4.24Å; Y100-F107 HydrophobicContact CE2-CE2 4.18Å; Y100-F107 HydrophobicContact CE2-CZ 4.29Å; Y100-F107 VanDerWaalsContact OH-CZ 3.3Å; Y100-F107 WeakPolarHBondContact OH-CZ 3.28Å; Y100-A140 HydrophobicContact CE1-CB 4.34Å; Y100-A140 WeakPolarHBondContact OH-CB 3.36Å; Y100-R143 VanDerWaalsContact CA-NH2 3.28Å; Y100-R143 VanDerWaalsContact CD1-CZ 3.41Å; Y100-R143 PolarHBondContact O-NH2 2.99Å; Y100-V145 HydrophobicContact CE1-CG2 4.21Å; Y100-V145 HydrophobicContact CE2-CG1 4.35Å; Y100-V145 HydrophobicContact CE2-CG2 4.48Å | ||
| 101 | G | 87.9 | Confident | 91.3 | Very high | 43 Ų | 43 | 44.1 Ų | 44.1 | 44% | 0.443 | 25% | 0.25 | S | S | . | . | S | Bend | trans | 94.7 | -41.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | S99 | S99-G101 PolarHBondContact OG-N 2.77Š|
| 102 | D | 90 | Very high | 92 | Very high | 115 Ų | 115 | 40.6 Ų | 40.6 | 62% | 0.615 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -106.7 | -32.4 | -179.3 | 61.4 | -35.5 | 0 | 0 | 0 | 112.7 | Y100 | Y100-D102 VanDerWaalsContact C-N 3.34Š|
| 103 | H | 94.5 | Very high | 92.8 | Very high | 79 Ų | 79 | 49.7 Ų | 49.7 | 37% | 0.366 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -138.5 | 172.8 | 175.7 | 64.2 | -81.8 | 0 | 0 | 0 | 111.1 | Y100 | Y100-H103 WeakPolarHBondContact CB-O 3.41Å; Y100-H103 AromaticContact CD1-CE1 3.91Å; Y100-H103 AromaticContact CD1-NE2 3.73Å; Y100-H103 AromaticContact CG-NE2 3.85Å; Y100-H103 PolarHBondContact N-O 3.09Å |
| 104 | V | 96.3 | Very high | 92.7 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 12% | 0.115 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.6 | 173.8 | 179 | 0 | 0 | 0 | 0 | 108.1 | E71 L74 V98 | E71-V104 HydrophobicContact CG-CB 4.23Å; E71-V104 HydrophobicContact CG-CG1 4.4Å; L74-V104 HydrophobicContact CB-CG1 4.27Å; L74-V104 HydrophobicContact CB-CG2 3.66Å; L74-V104 HydrophobicContact CD1-CG1 3.96Å; V98-V104 WeakPolarHBondContact O-CA 3.46Å |
| 105 | Q | 96.4 | Very high | 92.2 | Very high | 81 Ų | 81 | 52.3 Ų | 52.3 | 38% | 0.379 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 140.4 | 176.3 | -171.8 | 63.9 | 7.2 | 0 | 0 | 109.6 | S97 V98 Y100 F107 | S97-Q105 CarbonylContact C-O 3.39Å; S97-Q105 WeakPolarHBondContact CA-O 3.48Å; V98-Q105 PolarHBondContact N-O 3.11Å; V98-Q105 PolarHBondContact O-N 2.79Å; Y100-Q105 HydrophobicContact CD2-CB 3.67Å; Y100-Q105 HydrophobicContact CE2-CB 3.54Å; Y100-Q105 HydrophobicContact CE2-CG 4.17Å; Y100-Q105 HydrophobicContact CG-CB 4.24Å; Q105-F107 HydrophobicContact CB-CE2 3.98Å; Q105-F107 HydrophobicContact CB-CZ 4.22Å; Q105-F107 HydrophobicContact CG-CD2 4.46Å; Q105-F107 HydrophobicContact CG-CE1 4.19Å; Q105-F107 HydrophobicContact CG-CE2 3.61Å; Q105-F107 HydrophobicContact CG-CZ 3.43Å; Q105-F107 VanDerWaalsContact CG-CZ 3.43Å |
| 106 | H | 95.9 | Very high | 91.8 | Very high | 30 Ų | 30 | 55 Ų | 55 | 14% | 0.139 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.7 | 179.7 | -54.8 | -86.8 | 0 | 0 | 0 | 110.7 | R67 E71 M96 S97 | R67-H106 VanDerWaalsContact CZ-CD2 3.46Å; R67-H106 PolarHBondContact NE-CD2 3.44Å; R67-H106 PolarHBondContact NE-NE2 3.29Å; R67-H106 PolarHBondContact NH2-CD2 3.43Å; E71-H106 WeakPolarHBondContact CG-NE2 3.36Å; E71-H106 IonicContact OE1-CE1 3.97Å; E71-H106 IonicContact OE1-NE2 3.14Å; E71-H106 PolarHBondContact OE1-NE2 2.81Å; E71-H106 VanDerWaalsContact OE1-NE2 3.14Å; M96-H106 CarbonylContact O-C 3.56Å; M96-H106 WeakPolarHBondContact O-CA 3.32Å; S97-H106 WeakPolarHBondContact CB-ND1 3.4Å; S97-H106 PolarHBondContact OG-ND1 3.09Å |
| 107 | F | 95.6 | Very high | 91.6 | Very high | 16 Ų | 16 | 55.5 Ų | 55.5 | 7% | 0.07 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 130.8 | 176.6 | -60.6 | -84 | 0 | 0 | 0 | 109.3 | S95 M96 V98 Y100 Q105 V109 V119 W120 I139 | S95-F107 CarbonylContact C-O 3.47Å; S95-F107 WeakPolarHBondContact CA-O 3.42Å; M96-F107 HydrophobicContact CB-CB 4.32Å; M96-F107 PolarHBondContact N-O 3.15Å; M96-F107 PolarHBondContact O-N 3.35Å; V98-F107 HydrophobicContact CB-CE2 4.16Å; V98-F107 HydrophobicContact CG2-CD2 3.86Å; V98-F107 HydrophobicContact CG2-CE2 3.86Å; Y100-F107 HydrophobicContact CE2-CE2 4.18Å; Y100-F107 HydrophobicContact CE2-CZ 4.29Å; Y100-F107 VanDerWaalsContact OH-CZ 3.3Å; Y100-F107 WeakPolarHBondContact OH-CZ 3.28Å; Q105-F107 HydrophobicContact CB-CE2 3.98Å; Q105-F107 HydrophobicContact CB-CZ 4.22Å; Q105-F107 HydrophobicContact CG-CD2 4.46Å; Q105-F107 HydrophobicContact CG-CE1 4.19Å; Q105-F107 HydrophobicContact CG-CE2 3.61Å; Q105-F107 HydrophobicContact CG-CZ 3.43Å; Q105-F107 VanDerWaalsContact CG-CZ 3.43Å; F107-V109 PolarHBondContact O-N 3.31Å; F107-V119 HydrophobicContact CB-CG1 3.77Å; F107-V119 HydrophobicContact CB-CG2 4.41Å; F107-V119 HydrophobicContact CD1-CG1 3.87Å; F107-V119 HydrophobicContact CG-CG1 4.11Å; F107-W120 HydrophobicContact CD1-CZ2 4.07Å; F107-W120 AromaticContact CE1-CZ2 3.84Å; F107-W120 HydrophobicContact CE1-CZ2 3.84Å; F107-I139 HydrophobicContact CD1-CG1 4.38Å; F107-I139 HydrophobicContact CD2-CG1 4.06Å; F107-I139 HydrophobicContact CE1-CG1 4.35Å; F107-I139 HydrophobicContact CE2-CG1 4.03Å; F107-I139 HydrophobicContact CE2-CG2 4.42Å; F107-I139 HydrophobicContact CG-CG1 4.25Å; F107-I139 HydrophobicContact CZ-CG1 4.19Å |
| 108 | K | 94.1 | Very high | 91.5 | Very high | 102 Ų | 102 | 58.8 Ų | 58.8 | 44% | 0.443 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 125.4 | 171.8 | -166.7 | 173.5 | -176.9 | -163.9 | 0 | 108 | E93 L110 | E93-K108 IonicContact OE1-NZ 3.35Å; E93-K108 PolarHBondContact OE1-NZ 2.94Å; E93-K108 WeakPolarHBondContact OE2-CE 3.41Å; E93-K108 IonicContact OE2-NZ 2.73Å; E93-K108 PolarHBondContact OE2-NZ 3.36Å; K108-L110 HydrophobicContact CD-CD2 3.61Å; K108-L110 HydrophobicContact CD-CG 4.44Å; K108-L110 VanDerWaalsContact CE-CD2 3.49Å; K108-L110 HydrophobicContact CG-CD2 3.83Å; K108-L110 HydrophobicContact CG-CG 4.29Å |
| 109 | V | 94.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.012 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 110.7 | 171.8 | -176.3 | 0 | 0 | 0 | 0 | 106.7 | F94 M96 F107 Y117 V119 L127 L130 | F94-V109 HydrophobicContact CB-CB 4Å; F94-V109 HydrophobicContact CB-CG2 4.42Å; F94-V109 PolarHBondContact O-N 2.75Å; M96-V109 HydrophobicContact CB-CG2 4Å; F107-V109 PolarHBondContact O-N 3.31Å; V109-Y117 HydrophobicContact CG1-CD1 4.22Å; V109-V119 HydrophobicContact CG2-CG2 3.96Å; V109-L127 HydrophobicContact CG1-CD2 3.69Å; V109-L130 HydrophobicContact CG1-CD1 3.88Å |
| 110 | L | 91.3 | Very high | 91.4 | Very high | 49 Ų | 49 | 63.7 Ų | 63.7 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 157.7 | -177.9 | -65.4 | 175.2 | 0 | 0 | 0 | 110.1 | K108 Y117 Y118 | K108-L110 HydrophobicContact CD-CD2 3.61Å; K108-L110 HydrophobicContact CD-CG 4.44Å; K108-L110 VanDerWaalsContact CE-CD2 3.49Å; K108-L110 HydrophobicContact CG-CD2 3.83Å; K108-L110 HydrophobicContact CG-CG 4.29Å; L110-Y117 CarbonylContact O-C 3.45Å; L110-Y117 VanDerWaalsContact O-CA 3.31Å; L110-Y117 WeakPolarHBondContact O-CA 3.28Å; L110-Y118 HydrophobicContact CB-CD1 4.28Å; L110-Y118 HydrophobicContact CB-CD2 4.09Å; L110-Y118 HydrophobicContact CB-CE1 3.8Å; L110-Y118 HydrophobicContact CB-CE2 3.64Å; L110-Y118 HydrophobicContact CB-CG 4.4Å; L110-Y118 VanDerWaalsContact CB-CZ 3.47Å; L110-Y118 HydrophobicContact CD1-CD2 4.44Å; L110-Y118 HydrophobicContact CD1-CE2 3.63Å; L110-Y118 HydrophobicContact CG-CE2 4.25Å; L110-Y118 PolarHBondContact N-O 3.3Å; L110-Y118 PolarHBondContact O-N 3.1Å |
| 111 | Q | 88.4 | Confident | 91.3 | Very high | 77 Ų | 77 | 69.6 Ų | 69.6 | 36% | 0.36 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 134.7 | 172.5 | -165.1 | 174.3 | 25.3 | 0 | 0 | 108.9 | S115 Q116 Y117 | Q111-S115 VanDerWaalsContact NE2-CA 3.28Å; Q111-S115 PolarHBondContact NE2-O 3.5Å; Q111-Q116 CarbonylContact C-O 3.59Å; Q111-Q116 VanDerWaalsContact CA-O 3.23Å; Q111-Q116 WeakPolarHBondContact CA-O 3.37Å; Q111-Y117 HydrophobicContact CB-CD1 4.44Å; Q111-Y117 HydrophobicContact CB-CE1 4.45Å; Q111-Y117 HydrophobicContact CG-CD1 4.41Å; Q111-Y117 HydrophobicContact CG-CE1 4.25Å |
| 112 | D | 87.3 | Confident | 91.6 | Very high | 55 Ų | 55 | 72.7 Ų | 72.7 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | trans | -85.4 | -176.2 | 176.3 | 78.4 | 0.4 | 0 | 0 | 0 | 112.1 | C114 S115 Q116 Y118 | D112-C114 PolarHBondContact O-N 3.07Å; D112-C114 VanDerWaalsContact OD1-C 3.25Å; D112-C114 VanDerWaalsContact OD1-CA 3.28Å; D112-C114 WeakPolarHBondContact OD1-CA 3.28Å; D112-C114 WeakPolarHBondContact OD1-CB 3.48Å; D112-C114 PolarHBondContact OD1-N 2.72Å; D112-S115 PolarHBondContact O-N 3.26Å; D112-S115 PolarHBondContact OD1-N 2.79Å; D112-Q116 PolarHBondContact N-O 2.8Å; D112-Q116 PolarHBondContact OD1-N 2.72Å; D112-Y118 HydrophobicContact CB-CE1 3.89Å | ||
| 113 | R | 86.4 | Confident | 91.8 | Very high | 254 Ų | 254 | 69.3 Ų | 69.3 | 96% | 0.958 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -18.4 | 179.1 | -62.1 | -173.1 | -176.4 | -159 | 1.2 | 113.6 | S115 | R113-S115 VanDerWaalsContact C-N 3.3Š|
| 114 | C | 83.3 | Confident | 91.5 | Very high | 97 Ų | 97 | 66.6 Ų | 66.6 | 66% | 0.655 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 11.4 | 177.9 | -64.7 | 0 | 0 | 0 | 0 | 111.7 | D112 Q116 | D112-C114 PolarHBondContact O-N 3.07Å; D112-C114 VanDerWaalsContact OD1-C 3.25Å; D112-C114 VanDerWaalsContact OD1-CA 3.28Å; D112-C114 WeakPolarHBondContact OD1-CA 3.28Å; D112-C114 WeakPolarHBondContact OD1-CB 3.48Å; D112-C114 PolarHBondContact OD1-N 2.72Å; C114-Q116 HydrophobicContact CB-CG 4.36Å; C114-Q116 PolarHBondContact O-N 2.64Å |
| 115 | S | 81.3 | Confident | 90.8 | Very high | 47 Ų | 47 | 69.4 Ų | 69.4 | 33% | 0.329 | 34% | 0.344 | S | S | . | . | S | Bend | trans | 65.8 | 18.4 | -176.7 | -60.8 | 0 | 0 | 0 | 0 | 114.9 | Q111 D112 R113 | Q111-S115 VanDerWaalsContact NE2-CA 3.28Å; Q111-S115 PolarHBondContact NE2-O 3.5Å; D112-S115 PolarHBondContact O-N 3.26Å; D112-S115 PolarHBondContact OD1-N 2.79Å; R113-S115 VanDerWaalsContact C-N 3.3Å |
| 116 | Q | 86.6 | Confident | 90.2 | Very high | 66 Ų | 66 | 66 Ų | 66 | 31% | 0.308 | 33% | 0.329 | S | S | . | . | trans | -85.5 | 142.7 | 176 | -60.3 | -167.2 | -31.9 | 0 | 0 | 111.9 | Q111 D112 C114 A123 F124 | Q111-Q116 CarbonylContact C-O 3.59Å; Q111-Q116 VanDerWaalsContact CA-O 3.23Å; Q111-Q116 WeakPolarHBondContact CA-O 3.37Å; D112-Q116 PolarHBondContact N-O 2.8Å; D112-Q116 PolarHBondContact OD1-N 2.72Å; C114-Q116 HydrophobicContact CB-CG 4.36Å; C114-Q116 PolarHBondContact O-N 2.64Å; Q116-A123 HydrophobicContact CB-CB 4.17Å; Q116-F124 CarbonylContact C-O 3.54Å; Q116-F124 VanDerWaalsContact CA-O 3.25Å; Q116-F124 WeakPolarHBondContact CA-O 3.45Å; Q116-F124 WeakPolarHBondContact CB-O 3.29Å | ||
| 117 | Y | 91.3 | Very high | 89.7 | Confident | 13 Ų | 13 | 65.2 Ų | 65.2 | 5% | 0.051 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 139.4 | -177.6 | -62.5 | -78 | 0 | 0 | 0 | 112.1 | F94 V109 L110 Q111 A123 F124 L127 | F94-Y117 HydrophobicContact CD2-CE1 4.14Å; F94-Y117 HydrophobicContact CE2-CE1 4.12Å; V109-Y117 HydrophobicContact CG1-CD1 4.22Å; L110-Y117 CarbonylContact O-C 3.45Å; L110-Y117 VanDerWaalsContact O-CA 3.31Å; L110-Y117 WeakPolarHBondContact O-CA 3.28Å; Q111-Y117 HydrophobicContact CB-CD1 4.44Å; Q111-Y117 HydrophobicContact CB-CE1 4.45Å; Q111-Y117 HydrophobicContact CG-CD1 4.41Å; Q111-Y117 HydrophobicContact CG-CE1 4.25Å; Y117-A123 WeakPolarHBondContact O-CA 3.47Å; Y117-F124 PolarHBondContact N-O 2.87Å; Y117-F124 WeakPolarHBondContact O-CD2 3.4Å; Y117-F124 PolarHBondContact O-N 2.81Å; Y117-L127 HydrophobicContact CD1-CD2 3.95Å; Y117-L127 HydrophobicContact CD1-CG 4.39Å; Y117-L127 HydrophobicContact CE1-CD2 4.39Å; Y117-L127 HydrophobicContact CE1-CG 4.47Å; Y117-L127 HydrophobicContact CG-CD2 4.13Å; Y117-L127 HydrophobicContact CG-CG 4.44Å |
| 118 | Y | 94.6 | Very high | 89.1 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 27% | 0.267 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 155.9 | 175.3 | 60.7 | -81.8 | 0 | 0 | 0 | 112.1 | L110 D112 W120 E122 | L110-Y118 HydrophobicContact CB-CD1 4.28Å; L110-Y118 HydrophobicContact CB-CD2 4.09Å; L110-Y118 HydrophobicContact CB-CE1 3.8Å; L110-Y118 HydrophobicContact CB-CE2 3.64Å; L110-Y118 HydrophobicContact CB-CG 4.4Å; L110-Y118 VanDerWaalsContact CB-CZ 3.47Å; L110-Y118 HydrophobicContact CD1-CD2 4.44Å; L110-Y118 HydrophobicContact CD1-CE2 3.63Å; L110-Y118 HydrophobicContact CG-CE2 4.25Å; L110-Y118 PolarHBondContact N-O 3.3Å; L110-Y118 PolarHBondContact O-N 3.1Å; D112-Y118 HydrophobicContact CB-CE1 3.89Å; Y118-W120 VanDerWaalsContact CD2-O 3.24Å; Y118-W120 WeakPolarHBondContact CD2-O 3.23Å; Y118-E122 WeakPolarHBondContact CB-O 3.38Å |
| 119 | V | 95.4 | Very high | 88.6 | Confident | 15 Ų | 15 | 65.1 Ų | 65.1 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -109.8 | -38.2 | 168 | 172 | 0 | 0 | 0 | 0 | 110.6 | F107 V109 L130 Y134 I139 | F107-V119 HydrophobicContact CB-CG1 3.77Å; F107-V119 HydrophobicContact CB-CG2 4.41Å; F107-V119 HydrophobicContact CD1-CG1 3.87Å; F107-V119 HydrophobicContact CG-CG1 4.11Å; V109-V119 HydrophobicContact CG2-CG2 3.96Å; V119-L130 HydrophobicContact CG2-CD1 4.3Å; V119-L130 HydrophobicContact CG2-CD2 4.29Å; V119-Y134 HydrophobicContact CB-CE2 4.43Å; V119-I139 HydrophobicContact CB-CD1 4.28Å; V119-I139 HydrophobicContact CG1-CD1 3.97Å; V119-I139 HydrophobicContact CG2-CD1 4.4Å |
| 120 | W | 94.5 | Very high | 88.6 | Confident | 88 Ų | 88 | 65 Ų | 65 | 33% | 0.333 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -124.3 | -129.6 | 179.1 | -59.6 | 122.3 | 0 | 0 | 0 | 109.4 | F107 Y118 I139 K141 | F107-W120 HydrophobicContact CD1-CZ2 4.07Å; F107-W120 AromaticContact CE1-CZ2 3.84Å; F107-W120 HydrophobicContact CE1-CZ2 3.84Å; Y118-W120 VanDerWaalsContact CD2-O 3.24Å; Y118-W120 WeakPolarHBondContact CD2-O 3.23Å; W120-I139 PolarHBondContact NE1-O 2.82Å; W120-K141 HydrophobicContact CH2-CD 4.13Å; W120-K141 HydrophobicContact CZ2-CD 4.31Å; W120-K141 HydrophobicContact CZ2-CG 4.22Å; W120-K141 HydrophobicContact CZ3-CD 4.24Å |
| 121 | D | 91.8 | Very high | 88.6 | Confident | 146 Ų | 146 | 62.7 Ų | 62.7 | 78% | 0.781 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -86.5 | -24.5 | -172.8 | -52.8 | -62.3 | 0 | 0 | 0 | 113.1 | ||
| 122 | E | 94 | Very high | 88.5 | Confident | 108 Ų | 108 | 64.5 Ų | 64.5 | 51% | 0.505 | 32% | 0.324 | S | S | . | . | trans | -83.3 | 130.4 | -179.9 | -59.3 | -60.2 | 145 | 0 | 0 | 111.8 | Y118 F124 F133 | Y118-E122 WeakPolarHBondContact CB-O 3.38Å; E122-F124 HydrophobicContact CB-CE2 3.79Å; E122-F124 HydrophobicContact CB-CZ 3.6Å; E122-F124 VanDerWaalsContact O-CE2 3.29Å; E122-F124 WeakPolarHBondContact O-CE2 2.83Å; E122-F133 HydrophobicContact CB-CZ 4.49Å; E122-F133 HydrophobicContact CG-CE1 4.29Å; E122-F133 HydrophobicContact CG-CE2 4.44Å; E122-F133 HydrophobicContact CG-CZ 3.88Å | ||
| 123 | A | 93.6 | Very high | 88.8 | Confident | 44 Ų | 44 | 64.5 Ų | 64.5 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 139.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q116 Y117 | Q116-A123 HydrophobicContact CB-CB 4.17Å; Y117-A123 WeakPolarHBondContact O-CA 3.47Å |
| 124 | F | 88.9 | Confident | 89.2 | Confident | 21 Ų | 21 | 52.7 Ų | 52.7 | 9% | 0.092 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149.9 | -171.1 | -56.3 | -79.3 | 0 | 0 | 0 | 111.4 | Q116 Y117 E122 S126 E129 L130 F133 | Q116-F124 CarbonylContact C-O 3.54Å; Q116-F124 VanDerWaalsContact CA-O 3.25Å; Q116-F124 WeakPolarHBondContact CA-O 3.45Å; Q116-F124 WeakPolarHBondContact CB-O 3.29Å; Y117-F124 PolarHBondContact N-O 2.87Å; Y117-F124 WeakPolarHBondContact O-CD2 3.4Å; Y117-F124 PolarHBondContact O-N 2.81Å; E122-F124 HydrophobicContact CB-CE2 3.79Å; E122-F124 HydrophobicContact CB-CZ 3.6Å; E122-F124 VanDerWaalsContact O-CE2 3.29Å; E122-F124 WeakPolarHBondContact O-CE2 2.83Å; F124-S126 PolarHBondContact O-N 3.02Å; F124-E129 HydrophobicContact CB-CB 3.94Å; F124-E129 HydrophobicContact CD1-CB 4.03Å; F124-E129 HydrophobicContact CG-CB 4.33Å; F124-L130 HydrophobicContact CB-CB 4.05Å; F124-L130 HydrophobicContact CD2-CB 3.57Å; F124-L130 HydrophobicContact CD2-CD1 4Å; F124-L130 HydrophobicContact CD2-CG 3.71Å; F124-L130 HydrophobicContact CE2-CB 4.25Å; F124-L130 HydrophobicContact CE2-CG 4.08Å; F124-L130 HydrophobicContact CG-CB 3.87Å; F124-F133 HydrophobicContact CD1-CB 4.49Å; F124-F133 HydrophobicContact CE1-CB 3.54Å; F124-F133 HydrophobicContact CE1-CD1 4.38Å; F124-F133 AromaticContact CE1-CD2 3.9Å; F124-F133 HydrophobicContact CE1-CD2 3.9Å; F124-F133 AromaticContact CE1-CG 3.7Å; F124-F133 HydrophobicContact CE1-CG 3.7Å; F124-F133 HydrophobicContact CE2-CB 4.48Å; F124-F133 HydrophobicContact CE2-CD1 4.37Å; F124-F133 HydrophobicContact CE2-CG 4.45Å; F124-F133 HydrophobicContact CZ-CB 3.54Å; F124-F133 AromaticContact CZ-CD1 3.6Å; F124-F133 HydrophobicContact CZ-CD1 3.6Å; F124-F133 AromaticContact CZ-CD2 3.83Å; F124-F133 HydrophobicContact CZ-CD2 3.83Å; F124-F133 HydrophobicContact CZ-CE1 4.22Å; F124-F133 HydrophobicContact CZ-CE2 4.42Å; F124-F133 AromaticContact CZ-CG 3.37Å; F124-F133 HydrophobicContact CZ-CG 3.37Å |
| 125 | S | 82.4 | Confident | 89.6 | Confident | 78 Ų | 78 | 49.8 Ų | 49.8 | 55% | 0.545 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -79.9 | -12.8 | -178.8 | -56.6 | 0 | 0 | 0 | 0 | 112.3 | E129 | S125-E129 PolarHBondContact N-OE2 2.81Š|
| 126 | S | 82.6 | Confident | 90 | Very high | 9 Ų | 9 | 52.1 Ų | 52.1 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -146.1 | 159.7 | 178.3 | 57.1 | 0 | 0 | 0 | 0 | 113 | E2 F124 N128 E129 L130 | E2-S126 WeakPolarHBondContact OE1-CB 3.25Å; F124-S126 PolarHBondContact O-N 3.02Å; S126-N128 PolarHBondContact O-N 2.76Å; S126-E129 PolarHBondContact O-N 2.92Å; S126-E129 WeakPolarHBondContact OG-CB 3.32Å; S126-E129 VanDerWaalsContact OG-CG 3.28Å; S126-E129 WeakPolarHBondContact OG-CG 3.43Å; S126-E129 PolarHBondContact OG-N 3.38Å; S126-L130 PolarHBondContact O-N 2.95Å |
| 127 | L | 85.8 | Confident | 90.4 | Very high | 14 Ų | 14 | 52.1 Ų | 52.1 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.9 | -30 | 166.3 | -70.9 | 176.3 | 0 | 0 | 0 | 111.9 | W60 V84 F94 V109 Y117 L130 V131 | W60-L127 HydrophobicContact CH2-CB 4.06Å; W60-L127 HydrophobicContact CZ3-CB 4.43Å; V84-L127 HydrophobicContact CG1-CD1 4.33Å; F94-L127 HydrophobicContact CD1-CD1 4.31Å; F94-L127 HydrophobicContact CD2-CD1 3.82Å; F94-L127 HydrophobicContact CD2-CD2 4.17Å; F94-L127 HydrophobicContact CD2-CG 4.42Å; F94-L127 HydrophobicContact CE1-CD1 4.34Å; F94-L127 HydrophobicContact CE2-CD1 3.85Å; F94-L127 HydrophobicContact CG-CD1 4.05Å; F94-L127 HydrophobicContact CZ-CD1 4.12Å; V109-L127 HydrophobicContact CG1-CD2 3.69Å; Y117-L127 HydrophobicContact CD1-CD2 3.95Å; Y117-L127 HydrophobicContact CD1-CG 4.39Å; Y117-L127 HydrophobicContact CE1-CD2 4.39Å; Y117-L127 HydrophobicContact CE1-CG 4.47Å; Y117-L127 HydrophobicContact CG-CD2 4.13Å; Y117-L127 HydrophobicContact CG-CG 4.44Å; L127-L130 PolarHBondContact O-N 3.01Å; L127-V131 VanDerWaalsContact O-CG2 3.3Å; L127-V131 WeakPolarHBondContact O-CG2 3.16Å; L127-V131 PolarHBondContact O-N 2.81Å |
| 128 | N | 83.1 | Confident | 90.6 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.6 | -52.5 | 178.6 | -76.4 | 37.1 | 0 | 0 | 0 | 111.5 | E2 H58 W60 S126 L130 V131 E132 | E2-N128 WeakPolarHBondContact OE2-CB 3.44Å; E2-N128 PolarHBondContact OE2-ND2 2.97Å; E2-N128 VanDerWaalsContact OE2-ND2 3.15Å; E2-N128 PolarHBondContact OE2-OD1 3.36Å; H58-N128 PolarHBondContact CD2-ND2 2.97Å; H58-N128 VanDerWaalsContact CD2-ND2 3.35Å; H58-N128 PolarHBondContact NE2-ND2 3.01Å; W60-N128 WeakPolarHBondContact CH2-OD1 3.27Å; W60-N128 WeakPolarHBondContact CZ2-OD1 3.34Å; S126-N128 PolarHBondContact O-N 2.76Å; N128-L130 PolarHBondContact O-N 2.86Å; N128-V131 PolarHBondContact O-N 2.97Å; N128-V131 VanDerWaalsContact O-N 3.16Å; N128-E132 WeakPolarHBondContact O-CB 3.45Å; N128-E132 WeakPolarHBondContact O-CG 3.42Å; N128-E132 PolarHBondContact O-N 3.13Å |
| 129 | E | 84 | Confident | 90.7 | Very high | 93 Ų | 93 | 50.2 Ų | 50.2 | 44% | 0.435 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.9 | -40.4 | 175.1 | -77.1 | 171.3 | -162.6 | 0 | 0 | 111.6 | F124 S125 S126 E132 F133 | F124-E129 HydrophobicContact CB-CB 3.94Å; F124-E129 HydrophobicContact CD1-CB 4.03Å; F124-E129 HydrophobicContact CG-CB 4.33Å; S125-E129 PolarHBondContact N-OE2 2.81Å; S126-E129 PolarHBondContact O-N 2.92Å; S126-E129 WeakPolarHBondContact OG-CB 3.32Å; S126-E129 VanDerWaalsContact OG-CG 3.28Å; S126-E129 WeakPolarHBondContact OG-CG 3.43Å; S126-E129 PolarHBondContact OG-N 3.38Å; E129-E132 PolarHBondContact O-N 2.78Å; E129-F133 WeakPolarHBondContact O-CB 3.41Å; E129-F133 PolarHBondContact O-N 2.81Å |
| 130 | L | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60 | -47.5 | 175.6 | -174.9 | 156.9 | 0 | 0 | 0 | 111.5 | M96 V109 V119 F124 S126 L127 N128 F133 Y134 | M96-L130 HydrophobicContact CE-CD2 3.4Å; M96-L130 VanDerWaalsContact CE-CD2 3.4Å; V109-L130 HydrophobicContact CG1-CD1 3.88Å; V119-L130 HydrophobicContact CG2-CD1 4.3Å; V119-L130 HydrophobicContact CG2-CD2 4.29Å; F124-L130 HydrophobicContact CB-CB 4.05Å; F124-L130 HydrophobicContact CD2-CB 3.57Å; F124-L130 HydrophobicContact CD2-CD1 4Å; F124-L130 HydrophobicContact CD2-CG 3.71Å; F124-L130 HydrophobicContact CE2-CB 4.25Å; F124-L130 HydrophobicContact CE2-CG 4.08Å; F124-L130 HydrophobicContact CG-CB 3.87Å; S126-L130 PolarHBondContact O-N 2.95Å; L127-L130 PolarHBondContact O-N 3.01Å; N128-L130 PolarHBondContact O-N 2.86Å; L130-F133 PolarHBondContact O-N 2.97Å; L130-Y134 HydrophobicContact CD2-CD2 3.91Å; L130-Y134 HydrophobicContact CD2-CE2 3.96Å; L130-Y134 HydrophobicContact CG-CD2 4.37Å; L130-Y134 HydrophobicContact CG-CE2 4.11Å; L130-Y134 WeakPolarHBondContact O-CD2 3.04Å; L130-Y134 PolarHBondContact O-N 2.94Å |
| 131 | V | 91.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.7 | -46.4 | 178.5 | 167.3 | 0 | 0 | 0 | 0 | 111.2 | W60 F82 V84 M96 L127 N128 F133 Y134 H135 L147 | W60-V131 HydrophobicContact CD2-CG2 4.18Å; W60-V131 HydrophobicContact CE3-CG2 4.26Å; W60-V131 HydrophobicContact CH2-CG2 4.17Å; W60-V131 HydrophobicContact CZ2-CB 4.27Å; W60-V131 HydrophobicContact CZ2-CG2 4.04Å; W60-V131 HydrophobicContact CZ3-CG2 4.26Å; F82-V131 HydrophobicContact CE2-CG1 3.75Å; F82-V131 HydrophobicContact CE2-CG2 3.9Å; F82-V131 HydrophobicContact CZ-CG1 3.45Å; F82-V131 VanDerWaalsContact CZ-CG1 3.45Å; F82-V131 HydrophobicContact CZ-CG2 4.46Å; V84-V131 HydrophobicContact CG2-CG2 4.34Å; M96-V131 HydrophobicContact CE-CG2 3.78Å; L127-V131 VanDerWaalsContact O-CG2 3.3Å; L127-V131 WeakPolarHBondContact O-CG2 3.16Å; L127-V131 PolarHBondContact O-N 2.81Å; N128-V131 PolarHBondContact O-N 2.97Å; N128-V131 VanDerWaalsContact O-N 3.16Å; V131-F133 VanDerWaalsContact C-N 3.29Å; V131-F133 PolarHBondContact O-N 2.88Å; V131-Y134 PolarHBondContact O-N 2.68Å; V131-Y134 VanDerWaalsContact O-N 3.09Å; V131-H135 PolarHBondContact O-N 3.05Å; V131-H135 VanDerWaalsContact O-N 3.13Å; V131-L147 HydrophobicContact CG1-CD1 4.31Å; V131-L147 HydrophobicContact CG2-CD1 4.45Å |
| 132 | E | 86.4 | Confident | 90.1 | Very high | 115 Ų | 115 | 53 Ų | 53 | 54% | 0.537 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -57.3 | -41.9 | 177.7 | -73.5 | -65.4 | 163.3 | 0 | 0 | 112 | N128 E129 Y134 H135 | N128-E132 WeakPolarHBondContact O-CB 3.45Å; N128-E132 WeakPolarHBondContact O-CG 3.42Å; N128-E132 PolarHBondContact O-N 3.13Å; E129-E132 PolarHBondContact O-N 2.78Å; E132-Y134 VanDerWaalsContact C-N 3.34Å; E132-Y134 PolarHBondContact O-N 2.89Å; E132-H135 WeakPolarHBondContact O-CB 3.21Å; E132-H135 PolarHBondContact O-N 3.43Å; E132-H135 IonicContact OE2-CD2 2.8Å |
| 133 | F | 93.4 | Very high | 89.9 | Confident | 56 Ų | 56 | 53.1 Ų | 53.1 | 25% | 0.246 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.4 | -46.8 | 175.1 | 177.1 | -95.5 | 0 | 0 | 0 | 111.8 | E122 F124 E129 L130 V131 H135 S136 N137 | E122-F133 HydrophobicContact CB-CZ 4.49Å; E122-F133 HydrophobicContact CG-CE1 4.29Å; E122-F133 HydrophobicContact CG-CE2 4.44Å; E122-F133 HydrophobicContact CG-CZ 3.88Å; F124-F133 HydrophobicContact CD1-CB 4.49Å; F124-F133 HydrophobicContact CE1-CB 3.54Å; F124-F133 HydrophobicContact CE1-CD1 4.38Å; F124-F133 AromaticContact CE1-CD2 3.9Å; F124-F133 HydrophobicContact CE1-CD2 3.9Å; F124-F133 AromaticContact CE1-CG 3.7Å; F124-F133 HydrophobicContact CE1-CG 3.7Å; F124-F133 HydrophobicContact CE2-CB 4.48Å; F124-F133 HydrophobicContact CE2-CD1 4.37Å; F124-F133 HydrophobicContact CE2-CG 4.45Å; F124-F133 HydrophobicContact CZ-CB 3.54Å; F124-F133 AromaticContact CZ-CD1 3.6Å; F124-F133 HydrophobicContact CZ-CD1 3.6Å; F124-F133 AromaticContact CZ-CD2 3.83Å; F124-F133 HydrophobicContact CZ-CD2 3.83Å; F124-F133 HydrophobicContact CZ-CE1 4.22Å; F124-F133 HydrophobicContact CZ-CE2 4.42Å; F124-F133 AromaticContact CZ-CG 3.37Å; F124-F133 HydrophobicContact CZ-CG 3.37Å; E129-F133 WeakPolarHBondContact O-CB 3.41Å; E129-F133 PolarHBondContact O-N 2.81Å; L130-F133 PolarHBondContact O-N 2.97Å; V131-F133 VanDerWaalsContact C-N 3.29Å; V131-F133 PolarHBondContact O-N 2.88Å; F133-H135 VanDerWaalsContact C-N 3.27Å; F133-H135 PolarHBondContact O-N 2.99Å; F133-S136 PolarHBondContact O-N 3.26Å; F133-N137 HydrophobicContact CD1-CB 3.86Å; F133-N137 WeakPolarHBondContact CD2-ND2 3.49Å; F133-N137 HydrophobicContact CE1-CB 3.43Å; F133-N137 VanDerWaalsContact CE1-CB 3.43Å; F133-N137 HydrophobicContact CE2-CB 4.23Å; F133-N137 VanDerWaalsContact CE2-ND2 3.3Å; F133-N137 WeakPolarHBondContact CE2-ND2 3.37Å; F133-N137 HydrophobicContact CG-CB 4.42Å; F133-N137 HydrophobicContact CZ-CB 3.64Å; F133-N137 VanDerWaalsContact CZ-CG 3.43Å; F133-N137 WeakPolarHBondContact O-CB 3.46Å; F133-N137 PolarHBondContact O-N 2.83Å; F133-N137 PolarHBondContact O-ND2 3.32Å |
| 134 | Y | 96.1 | Very high | 89.9 | Confident | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.02 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -80.2 | -0.8 | -178.1 | -67.2 | -68 | 0 | 0 | 0 | 114.7 | V119 L130 V131 E132 S136 N137 I139 L147 | V119-Y134 HydrophobicContact CB-CE2 4.43Å; L130-Y134 HydrophobicContact CD2-CD2 3.91Å; L130-Y134 HydrophobicContact CD2-CE2 3.96Å; L130-Y134 HydrophobicContact CG-CD2 4.37Å; L130-Y134 HydrophobicContact CG-CE2 4.11Å; L130-Y134 WeakPolarHBondContact O-CD2 3.04Å; L130-Y134 PolarHBondContact O-N 2.94Å; V131-Y134 PolarHBondContact O-N 2.68Å; V131-Y134 VanDerWaalsContact O-N 3.09Å; E132-Y134 VanDerWaalsContact C-N 3.34Å; E132-Y134 PolarHBondContact O-N 2.89Å; Y134-S136 VanDerWaalsContact C-N 3.27Å; Y134-N137 CarbonylContact C-O 3.57Å; Y134-N137 VanDerWaalsContact CA-O 3.3Å; Y134-N137 WeakPolarHBondContact CA-O 3.39Å; Y134-N137 HydrophobicContact CD1-CB 4.48Å; Y134-N137 VanDerWaalsContact O-O 3.06Å; Y134-I139 HydrophobicContact CD1-CB 3.91Å; Y134-I139 HydrophobicContact CD1-CD1 3.66Å; Y134-I139 HydrophobicContact CD1-CG1 4.39Å; Y134-I139 HydrophobicContact CD2-CD1 3.62Å; Y134-I139 HydrophobicContact CE1-CB 4.34Å; Y134-I139 HydrophobicContact CE1-CD1 3.54Å; Y134-I139 HydrophobicContact CE2-CD1 3.52Å; Y134-I139 HydrophobicContact CG-CB 4.27Å; Y134-I139 HydrophobicContact CG-CD1 3.71Å; Y134-I139 VanDerWaalsContact CZ-CD1 3.48Å; Y134-L147 HydrophobicContact CG-CD1 4.49Å; Y134-L147 PolarHBondContact O-N 2.8Å |
| 135 | H | 90.8 | Very high | 90.2 | Very high | 37 Ų | 37 | 55.1 Ų | 55.1 | 17% | 0.171 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.7 | -30.6 | 162.4 | -77.6 | -48.8 | 0 | 0 | 0 | 112.1 | V131 E132 F133 L147 D149 | V131-H135 PolarHBondContact O-N 3.05Å; V131-H135 VanDerWaalsContact O-N 3.13Å; E132-H135 WeakPolarHBondContact O-CB 3.21Å; E132-H135 PolarHBondContact O-N 3.43Å; E132-H135 IonicContact OE2-CD2 2.8Å; F133-H135 VanDerWaalsContact C-N 3.27Å; F133-H135 PolarHBondContact O-N 2.99Å; H135-L147 PolarHBondContact ND1-O 2.86Å; H135-D149 IonicContact CE1-OD1 2.98Å; H135-D149 IonicContact CE1-OD2 3.9Å; H135-D149 IonicContact NE2-OD1 3.58Å; H135-D149 IonicContact NE2-OD2 3.51Å; H135-D149 PolarHBondContact NE2-OD2 3.41Å |
| 136 | S | 90.5 | Very high | 90.8 | Very high | 96 Ų | 96 | 55.3 Ų | 55.3 | 67% | 0.671 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -113.4 | -12 | -178.6 | -59.1 | 0 | 0 | 0 | 0 | 113.8 | F133 Y134 F146 | F133-S136 PolarHBondContact O-N 3.26Å; Y134-S136 VanDerWaalsContact C-N 3.27Å; S136-F146 WeakPolarHBondContact O-CE1 3.44Å |
| 137 | N | 94.1 | Very high | 91.4 | Very high | 66 Ų | 66 | 55 Ų | 55 | 35% | 0.353 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -119.7 | 144.9 | 179.8 | -62.9 | -83.3 | 0 | 0 | 0 | 110.5 | F133 Y134 I139 | F133-N137 HydrophobicContact CD1-CB 3.86Å; F133-N137 WeakPolarHBondContact CD2-ND2 3.49Å; F133-N137 HydrophobicContact CE1-CB 3.43Å; F133-N137 VanDerWaalsContact CE1-CB 3.43Å; F133-N137 HydrophobicContact CE2-CB 4.23Å; F133-N137 VanDerWaalsContact CE2-ND2 3.3Å; F133-N137 WeakPolarHBondContact CE2-ND2 3.37Å; F133-N137 HydrophobicContact CG-CB 4.42Å; F133-N137 HydrophobicContact CZ-CB 3.64Å; F133-N137 VanDerWaalsContact CZ-CG 3.43Å; F133-N137 WeakPolarHBondContact O-CB 3.46Å; F133-N137 PolarHBondContact O-N 2.83Å; F133-N137 PolarHBondContact O-ND2 3.32Å; Y134-N137 CarbonylContact C-O 3.57Å; Y134-N137 VanDerWaalsContact CA-O 3.3Å; Y134-N137 WeakPolarHBondContact CA-O 3.39Å; Y134-N137 HydrophobicContact CD1-CB 4.48Å; Y134-N137 VanDerWaalsContact O-O 3.06Å; N137-I139 PolarHBondContact O-N 2.83Å |
| 138 | S | 95.9 | Very high | 91.6 | Very high | 40 Ų | 40 | 59.2 Ų | 59.2 | 28% | 0.28 | 29% | 0.29 | S | S | . | . | trans | -69.5 | 128.9 | -177.7 | -173.7 | 0 | 0 | 0 | 0 | 111 | A140 R143 V145 | S138-A140 VanDerWaalsContact C-N 3.26Å; S138-A140 PolarHBondContact OG-N 2.86Å; S138-A140 PolarHBondContact OG-O 3.02Å; S138-R143 PolarHBondContact OG-O 2.92Å; S138-R143 VanDerWaalsContact OG-O 3.1Å; S138-V145 CarbonylContact C-O 3.59Å; S138-V145 VanDerWaalsContact CA-O 3.28Å; S138-V145 WeakPolarHBondContact CA-O 3.21Å; S138-V145 PolarHBondContact OG-N 2.77Å | ||
| 139 | I | 96.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -75.3 | -20.1 | 170 | -167.8 | 63.2 | 0 | 0 | 0 | 111.9 | M96 F107 V119 W120 Y134 N137 V145 L147 | M96-I139 HydrophobicContact SD-CD1 4.38Å; F107-I139 HydrophobicContact CD1-CG1 4.38Å; F107-I139 HydrophobicContact CD2-CG1 4.06Å; F107-I139 HydrophobicContact CE1-CG1 4.35Å; F107-I139 HydrophobicContact CE2-CG1 4.03Å; F107-I139 HydrophobicContact CE2-CG2 4.42Å; F107-I139 HydrophobicContact CG-CG1 4.25Å; F107-I139 HydrophobicContact CZ-CG1 4.19Å; V119-I139 HydrophobicContact CB-CD1 4.28Å; V119-I139 HydrophobicContact CG1-CD1 3.97Å; V119-I139 HydrophobicContact CG2-CD1 4.4Å; W120-I139 PolarHBondContact NE1-O 2.82Å; Y134-I139 HydrophobicContact CD1-CB 3.91Å; Y134-I139 HydrophobicContact CD1-CD1 3.66Å; Y134-I139 HydrophobicContact CD1-CG1 4.39Å; Y134-I139 HydrophobicContact CD2-CD1 3.62Å; Y134-I139 HydrophobicContact CE1-CB 4.34Å; Y134-I139 HydrophobicContact CE1-CD1 3.54Å; Y134-I139 HydrophobicContact CE2-CD1 3.52Å; Y134-I139 HydrophobicContact CG-CB 4.27Å; Y134-I139 HydrophobicContact CG-CD1 3.71Å; Y134-I139 VanDerWaalsContact CZ-CD1 3.48Å; N137-I139 PolarHBondContact O-N 2.83Å; I139-V145 HydrophobicContact CG2-CB 4.1Å; I139-V145 HydrophobicContact CG2-CG1 4.05Å; I139-V145 PolarHBondContact N-O 2.85Å; I139-L147 HydrophobicContact CG2-CD2 4.35Å |
| 140 | A | 93.8 | Very high | 90.4 | Very high | 9 Ų | 9 | 57.4 Ų | 57.4 | 7% | 0.074 | 29% | 0.286 | C | S | . | . | trans | -100.3 | 145.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y100 S138 R143 V145 | Y100-A140 HydrophobicContact CE1-CB 4.34Å; Y100-A140 WeakPolarHBondContact OH-CB 3.36Å; S138-A140 VanDerWaalsContact C-N 3.26Å; S138-A140 PolarHBondContact OG-N 2.86Å; S138-A140 PolarHBondContact OG-O 3.02Å; A140-R143 HydrophobicContact CB-CG 4.38Å; A140-R143 VanDerWaalsContact CB-O 3.27Å; A140-R143 WeakPolarHBondContact CB-O 3.16Å; A140-V145 HydrophobicContact CB-CB 4.04Å; A140-V145 HydrophobicContact CB-CG2 3.88Å | ||
| 141 | K | 88.4 | Confident | 88.7 | Confident | 131 Ų | 131 | 62.2 Ų | 62.2 | 57% | 0.57 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -89 | -35.7 | 179.3 | -69.9 | -173.8 | 173.7 | -176.2 | 0 | 112.7 | W120 | W120-K141 HydrophobicContact CH2-CD 4.13Å; W120-K141 HydrophobicContact CZ2-CD 4.31Å; W120-K141 HydrophobicContact CZ2-CG 4.22Å; W120-K141 HydrophobicContact CZ3-CD 4.24Å |
| 142 | E | 87.8 | Confident | 86.7 | Confident | 168 Ų | 168 | 68.5 Ų | 68.5 | 79% | 0.785 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -89.2 | -20.2 | -171.2 | -56.6 | 75.7 | -164.8 | 0 | 0 | 113.2 | ||
| 143 | R | 89.8 | Confident | 84.6 | Confident | 110 Ų | 110 | 64.7 Ų | 64.7 | 42% | 0.415 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -150 | 169.1 | 178.8 | 71.8 | -175.1 | -167.8 | 167.5 | 10.3 | 110.2 | Y100 S138 A140 V145 | Y100-R143 VanDerWaalsContact CA-NH2 3.28Å; Y100-R143 VanDerWaalsContact CD1-CZ 3.41Å; Y100-R143 PolarHBondContact O-NH2 2.99Å; S138-R143 PolarHBondContact OG-O 2.92Å; S138-R143 VanDerWaalsContact OG-O 3.1Å; A140-R143 HydrophobicContact CB-CG 4.38Å; A140-R143 VanDerWaalsContact CB-O 3.27Å; A140-R143 WeakPolarHBondContact CB-O 3.16Å; R143-V145 HydrophobicContact CG-CG2 3.9Å |
| 144 | T | 94.1 | Very high | 82.6 | Confident | 104 Ų | 104 | 64.6 Ų | 64.6 | 64% | 0.638 | 33% | 0.328 | S | S | * | . | trans | -84.7 | 117.6 | 176.5 | -51.6 | 0 | 0 | 0 | 0 | 110.9 | F146 | T144-F146 HydrophobicContact CG2-CD2 4.24Å; T144-F146 HydrophobicContact CG2-CE1 3.99Å; T144-F146 HydrophobicContact CG2-CE2 3.5Å; T144-F146 VanDerWaalsContact CG2-CE2 3.5Å; T144-F146 HydrophobicContact CG2-CZ 3.35Å | ||
| 145 | V | 95 | Very high | 80.6 | Confident | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.018 | 35% | 0.35 | C | S | . | . | trans | -135.8 | 117.3 | 172 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | V98 Y100 S138 I139 A140 R143 | V98-V145 HydrophobicContact CG1-CG1 4.2Å; Y100-V145 HydrophobicContact CE1-CG2 4.21Å; Y100-V145 HydrophobicContact CE2-CG1 4.35Å; Y100-V145 HydrophobicContact CE2-CG2 4.48Å; S138-V145 CarbonylContact C-O 3.59Å; S138-V145 VanDerWaalsContact CA-O 3.28Å; S138-V145 WeakPolarHBondContact CA-O 3.21Å; S138-V145 PolarHBondContact OG-N 2.77Å; I139-V145 HydrophobicContact CG2-CB 4.1Å; I139-V145 HydrophobicContact CG2-CG1 4.05Å; I139-V145 PolarHBondContact N-O 2.85Å; A140-V145 HydrophobicContact CB-CB 4.04Å; A140-V145 HydrophobicContact CB-CG2 3.88Å; R143-V145 HydrophobicContact CG-CG2 3.9Å | ||
| 146 | F | 94.5 | Very high | 79.4 | Confident | 83 Ų | 83 | 73.9 Ų | 73.9 | 36% | 0.364 | 36% | 0.362 | S | S | . | . | trans | -97.2 | 146 | 172.5 | -55.5 | -61.9 | 0 | 0 | 0 | 110.1 | G80 S136 T144 | G80-F146 WeakPolarHBondContact CA-O 3.31Å; S136-F146 WeakPolarHBondContact O-CE1 3.44Å; T144-F146 HydrophobicContact CG2-CD2 4.24Å; T144-F146 HydrophobicContact CG2-CE1 3.99Å; T144-F146 HydrophobicContact CG2-CE2 3.5Å; T144-F146 VanDerWaalsContact CG2-CE2 3.5Å; T144-F146 HydrophobicContact CG2-CZ 3.35Å | ||
| 147 | L | 94.4 | Very high | 78.6 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | trans | -66.7 | 141.3 | 168.4 | -60.8 | -174.3 | 0 | 0 | 0 | 109.3 | F82 M96 V98 V131 Y134 H135 I139 | F82-L147 HydrophobicContact CB-CD2 3.92Å; F82-L147 HydrophobicContact CD1-CB 3.77Å; F82-L147 HydrophobicContact CD1-CD2 4.16Å; F82-L147 HydrophobicContact CD1-CG 4.36Å; F82-L147 HydrophobicContact CD2-CD1 4.06Å; F82-L147 HydrophobicContact CD2-CD2 4.26Å; F82-L147 HydrophobicContact CE1-CB 3.76Å; F82-L147 HydrophobicContact CE2-CD1 4.01Å; F82-L147 HydrophobicContact CG-CB 4.27Å; F82-L147 HydrophobicContact CG-CD1 4.35Å; F82-L147 HydrophobicContact CG-CD2 3.85Å; F82-L147 HydrophobicContact CG-CG 4.36Å; F82-L147 HydrophobicContact CZ-CB 4.24Å; F82-L147 HydrophobicContact CZ-CD1 4.27Å; M96-L147 HydrophobicContact CE-CD1 3.75Å; M96-L147 HydrophobicContact SD-CD1 3.56Å; M96-L147 VanDerWaalsContact SD-CD1 3.56Å; M96-L147 HydrophobicContact SD-CD2 3.88Å; M96-L147 HydrophobicContact SD-CG 4.35Å; V98-L147 HydrophobicContact CG1-CD2 4.17Å; V98-L147 HydrophobicContact CG2-CD2 3.76Å; V131-L147 HydrophobicContact CG1-CD1 4.31Å; V131-L147 HydrophobicContact CG2-CD1 4.45Å; Y134-L147 HydrophobicContact CG-CD1 4.49Å; Y134-L147 PolarHBondContact O-N 2.8Å; H135-L147 PolarHBondContact ND1-O 2.86Å; I139-L147 HydrophobicContact CG2-CD2 4.35Å | ||
| 148 | R | 90.1 | Very high | 78.2 | Confident | 102 Ų | 102 | 73.1 Ų | 73.1 | 39% | 0.385 | 35% | 0.346 | S | S | . | . | B | Isolated β-bridge | trans | -132.9 | 121.9 | 178.8 | -70.3 | 178.9 | -179.8 | -168.8 | 3.4 | 108.3 | E78 G80 F82 F153 | E78-R148 IonicContact OE2-NH1 3.55Å; G80-R148 PolarHBondContact O-N 2.78Å; F82-R148 WeakPolarHBondContact CD1-O 3.05Å; F82-R148 WeakPolarHBondContact CE1-O 3.2Å; R148-F153 HydrophobicContact CB-CD2 4.46Å; R148-F153 HydrophobicContact CB-CE2 3.33Å; R148-F153 HydrophobicContact CB-CZ 3.57Å; R148-F153 HydrophobicContact CG-CE2 4.46Å; R148-F153 HydrophobicContact CG-CZ 4.26Å; R148-F153 WeakPolarHBondContact O-CE2 3.3Å |
| 149 | D | 79.5 | Confident | 78 | Confident | 43 Ų | 43 | 74.8 Ų | 74.8 | 23% | 0.23 | 35% | 0.35 | C | S | . | . | trans | -55.5 | 143.8 | -173.4 | -80.5 | -49.8 | 0 | 0 | 0 | 111.9 | H135 E151 Q152 F153 | H135-D149 IonicContact CE1-OD1 2.98Å; H135-D149 IonicContact CE1-OD2 3.9Å; H135-D149 IonicContact NE2-OD1 3.58Å; H135-D149 IonicContact NE2-OD2 3.51Å; H135-D149 PolarHBondContact NE2-OD2 3.41Å; D149-E151 PolarHBondContact O-N 2.92Å; D149-Q152 HydrophobicContact CB-CG 4.4Å; D149-Q152 WeakPolarHBondContact O-CB 3.28Å; D149-Q152 PolarHBondContact O-N 2.84Å; D149-F153 VanDerWaalsContact O-CD2 3.3Å; D149-F153 WeakPolarHBondContact O-CD2 3.26Å | ||
| 150 | P | 63.1 | Low | 77.9 | Confident | 35 Ų | 35 | 74.8 Ų | 74.8 | 23% | 0.227 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -53.9 | -27.2 | 169.5 | -25.3 | 34.6 | 0 | 0 | 0 | 112.3 | A59 W60 F153 A154 | A59-P150 HydrophobicContact CB-CB 4.05Å; A59-P150 HydrophobicContact CB-CG 4.27Å; W60-P150 HydrophobicContact CB-CG 4Å; P150-F153 CarbonylContact O-C 3.52Å; P150-F153 PolarHBondContact O-N 3.16Å; P150-F153 VanDerWaalsContact O-N 3.09Å; P150-A154 WeakPolarHBondContact O-CB 3.38Å; P150-A154 PolarHBondContact O-N 3.49Å |
| 151 | E | 56.8 | Low | 77.9 | Confident | 101 Ų | 101 | 78.5 Ų | 78.5 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -72.7 | -21.6 | 174.7 | -67.4 | -164.1 | -177.1 | 0 | 0 | 114.6 | A59 D149 F153 | A59-E151 HydrophobicContact CB-CG 4.07Å; D149-E151 PolarHBondContact O-N 2.92Å; E151-F153 PolarHBondContact O-N 2.84Å |
| 152 | Q | 49.8 | Very low | 78.2 | Confident | 132 Ų | 132 | 72.4 Ų | 72.4 | 62% | 0.617 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -71.4 | -20.8 | 167.6 | -67.5 | -178.3 | 25.6 | 0 | 0 | 111.1 | D149 | D149-Q152 HydrophobicContact CB-CG 4.4Å; D149-Q152 WeakPolarHBondContact O-CB 3.28Å; D149-Q152 PolarHBondContact O-N 2.84Å |
| 153 | F | 42.8 | Very low | 78 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -111.1 | -16.3 | -179.6 | -58.4 | -66.2 | 0 | 0 | 0 | 115.3 | E78 A81 R148 D149 P150 E151 R155 | E78-F153 HydrophobicContact CB-CD1 4.46Å; E78-F153 HydrophobicContact CB-CE1 3.64Å; E78-F153 HydrophobicContact CB-CZ 4.05Å; E78-F153 HydrophobicContact CG-CD1 4.42Å; E78-F153 HydrophobicContact CG-CE1 3.93Å; E78-F153 WeakPolarHBondContact OE2-CE1 3.28Å; A81-F153 HydrophobicContact CB-CD2 3.86Å; A81-F153 HydrophobicContact CB-CE2 3.56Å; A81-F153 HydrophobicContact CB-CZ 4.14Å; R148-F153 HydrophobicContact CB-CD2 4.46Å; R148-F153 HydrophobicContact CB-CE2 3.33Å; R148-F153 HydrophobicContact CB-CZ 3.57Å; R148-F153 HydrophobicContact CG-CE2 4.46Å; R148-F153 HydrophobicContact CG-CZ 4.26Å; R148-F153 WeakPolarHBondContact O-CE2 3.3Å; D149-F153 VanDerWaalsContact O-CD2 3.3Å; D149-F153 WeakPolarHBondContact O-CD2 3.26Å; P150-F153 CarbonylContact O-C 3.52Å; P150-F153 PolarHBondContact O-N 3.16Å; P150-F153 VanDerWaalsContact O-N 3.09Å; E151-F153 PolarHBondContact O-N 2.84Å; F153-R155 PolarHBondContact O-N 2.88Å; F153-R155 VanDerWaalsContact O-N 3.11Å |
| 154 | A | 50.2 | Low | 78 | Confident | 53 Ų | 53 | 68 Ų | 68 | 44% | 0.438 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -66.9 | 109.4 | 164 | 0 | 0 | 0 | 0 | 0 | 103.5 | P150 R156 | P150-A154 WeakPolarHBondContact O-CB 3.38Å; P150-A154 PolarHBondContact O-N 3.49Å; A154-R156 VanDerWaalsContact C-N 3.3Å; A154-R156 PolarHBondContact O-N 2.88Å |
| 155 | R | 55.5 | Low | 78 | Confident | 123 Ų | 123 | 67.4 Ų | 67.4 | 46% | 0.464 | 32% | 0.317 | S | S | . | . | trans | -49 | 104.6 | 172.2 | -73.9 | -176.2 | 170.1 | -175.6 | -3.2 | 106.2 | F153 P157 Q214 Q216 | F153-R155 PolarHBondContact O-N 2.88Å; F153-R155 VanDerWaalsContact O-N 3.11Å; R155-P157 VanDerWaalsContact O-N 3.1Å; R155-Q214 PolarHBondContact NH1-O 2.89Å; R155-Q216 VanDerWaalsContact NH1-N 3.19Å | ||
| 156 | R | 64.4 | Low | 78.1 | Confident | 115 Ų | 115 | 68 Ų | 68 | 43% | 0.434 | 32% | 0.319 | S | S | . | . | trans | -56.8 | 124.6 | 177.7 | -75.6 | -171.7 | 172.1 | -152.1 | -4.6 | 105.1 | A154 H158 | A154-R156 VanDerWaalsContact C-N 3.3Å; A154-R156 PolarHBondContact O-N 2.88Å; R156-H158 PolarHBondContact O-CE1 2.86Å; R156-H158 PolarHBondContact O-N 2.81Å; R156-H158 PolarHBondContact O-ND1 2.83Å | ||
| 157 | P | 73.6 | Confident | 78.1 | Confident | 12 Ų | 12 | 68.2 Ų | 68.2 | 8% | 0.078 | 32% | 0.324 | C | S | . | . | trans | -58.5 | 123.8 | -179.3 | 24.4 | -30.9 | 0 | 0 | 0 | 106.7 | R155 H159 L184 P211 Y213 | R155-P157 VanDerWaalsContact O-N 3.1Å; P157-H159 VanDerWaalsContact C-N 3.28Å; P157-L184 HydrophobicContact CB-CD1 3.87Å; P157-L184 HydrophobicContact CG-CD1 3.69Å; P157-L184 WeakPolarHBondContact O-CB 3.05Å; P157-L184 VanDerWaalsContact O-CD1 3.29Å; P157-L184 WeakPolarHBondContact O-CD1 3.43Å; P157-P211 HydrophobicContact CB-CB 3.58Å; P157-P211 HydrophobicContact CG-CB 3.65Å; P157-P211 HydrophobicContact CG-CG 4.48Å; P157-Y213 HydrophobicContact CB-CD1 4.32Å; P157-Y213 HydrophobicContact CB-CE1 4.03Å; P157-Y213 HydrophobicContact CG-CE1 4Å | ||
| 158 | H | 86.2 | Confident | 78 | Confident | 133 Ų | 133 | 70.5 Ų | 70.5 | 62% | 0.616 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -84 | -16.2 | 177 | -69.4 | 16.5 | 0 | 0 | 0 | 110.8 | R156 E183 L184 | R156-H158 PolarHBondContact O-CE1 2.86Å; R156-H158 PolarHBondContact O-N 2.81Å; R156-H158 PolarHBondContact O-ND1 2.83Å; H158-E183 CarbonylContact O-C 3.56Å; H158-E183 WeakPolarHBondContact O-CA 3.46Å; H158-L184 PolarHBondContact O-N 2.78Å |
| 159 | H | 92.5 | Very high | 78.1 | Confident | 76 Ų | 76 | 74.3 Ų | 74.3 | 35% | 0.352 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 156.8 | 179.9 | -62.9 | 85.5 | 0 | 0 | 0 | 110.7 | P157 V181 I182 I212 | P157-H159 VanDerWaalsContact C-N 3.28Å; H159-V181 HydrophobicContact CB-CG1 4.01Å; H159-I182 CarbonylContact C-O 3.59Å; H159-I182 WeakPolarHBondContact CA-O 3.37Å; H159-I212 HydrophobicContact CB-CB 4.37Å; H159-I212 HydrophobicContact CB-CD1 3.86Å; H159-I212 HydrophobicContact CB-CG1 4.5Å; H159-I212 PolarHBondContact O-N 2.95Å |
| 160 | A | 93.9 | Very high | 78.7 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 148.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.6 | V181 I182 L184 V209 Q210 | A160-V181 WeakPolarHBondContact O-CA 3.43Å; A160-I182 PolarHBondContact N-O 2.95Å; A160-I182 PolarHBondContact O-N 3.05Å; A160-L184 HydrophobicContact CB-CD1 4.09Å; A160-L184 HydrophobicContact CB-CD2 4.08Å; A160-L184 HydrophobicContact CB-CG 4.22Å; A160-V209 HydrophobicContact CB-CB 3.74Å; A160-V209 HydrophobicContact CB-CG2 3.67Å; A160-Q210 CarbonylContact C-O 3.42Å; A160-Q210 VanDerWaalsContact CA-O 3.28Å; A160-Q210 WeakPolarHBondContact CA-O 3.41Å |
| 161 | H | 93.1 | Very high | 80.1 | Confident | 86 Ų | 86 | 81.7 Ų | 81.7 | 40% | 0.398 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 131.7 | 168.7 | -76.8 | 98.6 | 0 | 0 | 0 | 109.9 | L163 D180 V209 Q210 I212 | H161-L163 PolarHBondContact O-N 3.17Å; H161-D180 CarbonylContact C-O 3.39Å; H161-D180 WeakPolarHBondContact CA-O 3.35Å; H161-V209 CarbonylContact O-C 3.49Å; H161-V209 WeakPolarHBondContact O-CA 3.28Å; H161-Q210 PolarHBondContact N-O 2.83Å; H161-Q210 PolarHBondContact O-N 2.83Å; H161-I212 WeakPolarHBondContact CE1-CD1 3.42Å; H161-I212 WeakPolarHBondContact ND1-CD1 3.44Å; H161-I212 WeakPolarHBondContact ND1-CG1 3.42Å |
| 162 | A | 94.2 | Very high | 81.8 | Confident | 4 Ų | 4 | 79.4 Ų | 79.4 | 3% | 0.033 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 120.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | F176 V177 G179 D180 I182 | A162-F176 HydrophobicContact CB-CD2 3.57Å; A162-F176 HydrophobicContact CB-CE2 3.96Å; A162-F176 HydrophobicContact CB-CG 4.46Å; A162-V177 WeakPolarHBondContact CB-O 3.16Å; A162-G179 PolarHBondContact O-N 3.47Å; A162-D180 HydrophobicContact CB-CB 4.15Å; A162-D180 PolarHBondContact N-O 3.35Å; A162-I182 HydrophobicContact CB-CD1 4.17Å |
| 163 | L | 84.6 | Confident | 84.1 | Confident | 70 Ų | 70 | 76.1 Ų | 76.1 | 37% | 0.366 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -83.2 | -27.6 | 175.7 | -64.8 | 178.1 | 0 | 0 | 0 | 111.9 | H161 R178 Y208 Q210 | H161-L163 PolarHBondContact O-N 3.17Å; L163-R178 VanDerWaalsContact O-CD 3.28Å; L163-R178 WeakPolarHBondContact O-CD 3.3Å; L163-R178 VanDerWaalsContact O-CG 3.3Å; L163-R178 WeakPolarHBondContact O-CG 3.37Å; L163-Y208 PolarHBondContact N-O 3.32Å; L163-Q210 HydrophobicContact CD1-CB 4.13Å; L163-Q210 HydrophobicContact CD2-CB 3.88Å; L163-Q210 HydrophobicContact CG-CB 4.04Å |
| 164 | F | 88.6 | Confident | 86.7 | Confident | 116 Ų | 116 | 74.5 Ų | 74.5 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -138.3 | 162.1 | -178.2 | -48.8 | -74.8 | 0 | 0 | 0 | 110.9 | Y208 | F164-Y208 HydrophobicContact CB-CD1 3.88Å; F164-Y208 HydrophobicContact CB-CE1 4.19Å; F164-Y208 HydrophobicContact CD2-CD1 4.46Å |
| 165 | D | 95.1 | Very high | 88.9 | Confident | 91 Ų | 91 | 78.9 Ų | 78.9 | 49% | 0.487 | 38% | 0.38 | S | S | . | . | trans | -69.9 | 138.3 | 168.8 | -62.6 | -4.6 | 0 | 0 | 0 | 109.8 | V177 R178 Y208 | D165-V177 WeakPolarHBondContact OD1-CA 3.22Å; D165-R178 WeakPolarHBondContact OD1-CB 3.25Å; D165-R178 PolarHBondContact OD1-N 2.92Å; D165-Y208 WeakPolarHBondContact O-CE1 3.42Å | ||
| 166 | F | 96.6 | Very high | 91 | Very high | 14 Ų | 14 | 73.1 Ų | 73.1 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -125.7 | 109.3 | 174.4 | -174.4 | -119.4 | 0 | 0 | 0 | 110.1 | Q173 L174 F176 F204 P205 Y208 | F166-Q173 HydrophobicContact CE1-CB 4Å; F166-Q173 HydrophobicContact CE1-CG 4.43Å; F166-Q173 HydrophobicContact CZ-CB 4.28Å; F166-Q173 HydrophobicContact CZ-CG 4.28Å; F166-L174 WeakPolarHBondContact CD1-O 3.31Å; F166-L174 WeakPolarHBondContact CE1-O 3.3Å; F166-F176 HydrophobicContact CB-CD1 4.19Å; F166-F176 HydrophobicContact CB-CD2 3.81Å; F166-F176 HydrophobicContact CB-CE1 3.74Å; F166-F176 HydrophobicContact CB-CE2 3.32Å; F166-F176 HydrophobicContact CB-CG 4.23Å; F166-F176 HydrophobicContact CB-CZ 3.28Å; F166-F176 HydrophobicContact CD1-CD1 4.29Å; F166-F176 AromaticContact CD1-CE1 3.61Å; F166-F176 HydrophobicContact CD1-CE1 3.61Å; F166-F176 AromaticContact CD1-CZ 3.84Å; F166-F176 HydrophobicContact CD1-CZ 3.84Å; F166-F176 HydrophobicContact CG-CE1 4.04Å; F166-F176 HydrophobicContact CG-CE2 4.32Å; F166-F176 AromaticContact CG-CZ 3.8Å; F166-F176 HydrophobicContact CG-CZ 3.8Å; F166-F176 PolarHBondContact N-O 3.12Å; F166-F176 PolarHBondContact O-N 3.41Å; F166-F204 HydrophobicContact CD1-CB 3.75Å; F166-F204 HydrophobicContact CE1-CB 3.64Å; F166-F204 HydrophobicContact CZ-CB 4.39Å; F166-P205 HydrophobicContact CE2-CG 4.12Å; F166-P205 HydrophobicContact CZ-CG 4.36Å; F166-Y208 HydrophobicContact CB-CD1 3.86Å; F166-Y208 HydrophobicContact CB-CE1 4.24Å; F166-Y208 AromaticContact CD2-CD1 3.97Å; F166-Y208 HydrophobicContact CD2-CD1 3.97Å; F166-Y208 AromaticContact CD2-CE1 3.79Å; F166-Y208 HydrophobicContact CD2-CE1 3.79Å; F166-Y208 HydrophobicContact CD2-CG 4.41Å; F166-Y208 HydrophobicContact CG-CD1 4.25Å; F166-Y208 HydrophobicContact CG-CE1 4.44Å |
| 167 | N | 95 | Very high | 92.5 | Very high | 89 Ų | 89 | 70.6 Ų | 70.6 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | trans | -100 | 118.4 | 178.7 | -72.7 | -50.6 | 0 | 0 | 0 | 109.6 | ||||
| 168 | P | 92.4 | Very high | 93.5 | Very high | 50 Ų | 50 | 79 Ų | 79 | 33% | 0.325 | 39% | 0.385 | S | S | . | . | trans | -71.6 | 136.1 | -174.6 | 28.8 | -35.7 | 0 | 0 | 0 | 111.7 | Q173 R175 | P168-Q173 HydrophobicContact CB-CB 3.52Å; P168-R175 HydrophobicContact CG-CB 3.98Å | ||
| 169 | H | 91.3 | Very high | 93.5 | Very high | 182 Ų | 182 | 75.1 Ų | 75.1 | 84% | 0.843 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -94.5 | -13.7 | 167.8 | -62 | -66.8 | 0 | 0 | 0 | 112.3 | ||
| 170 | H | 93.6 | Very high | 93.7 | Very high | 109 Ų | 109 | 72.7 Ų | 72.7 | 51% | 0.505 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -132.3 | 145.4 | 179.8 | -168.7 | -93.9 | 0 | 0 | 0 | 111.4 | S172 Q173 | H170-S172 PolarHBondContact ND1-N 2.84Å; H170-S172 PolarHBondContact ND1-OG 3.01Å; H170-S172 PolarHBondContact O-N 2.84Å; H170-Q173 HydrophobicContact CB-CG 4.37Å; H170-Q173 VanDerWaalsContact N-OE1 3.14Å; H170-Q173 WeakPolarHBondContact O-CB 3.2Å; H170-Q173 PolarHBondContact O-N 3.05Å |
| 171 | P | 92 | Very high | 93.8 | Very high | 125 Ų | 125 | 76.2 Ų | 76.2 | 81% | 0.812 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.8 | -178.8 | -27 | 35 | 0 | 0 | 0 | 115.7 | Q173 | P171-Q173 VanDerWaalsContact C-N 3.3Š|
| 172 | S | 93.4 | Very high | 94 | Very high | 53 Ų | 53 | 72.1 Ų | 72.1 | 37% | 0.371 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -11.2 | 176.5 | 65.9 | 0 | 0 | 0 | 0 | 113.6 | H170 G202 Y203 | H170-S172 PolarHBondContact ND1-N 2.84Å; H170-S172 PolarHBondContact ND1-OG 3.01Å; H170-S172 PolarHBondContact O-N 2.84Å; S172-G202 CarbonylContact O-C 3.56Å; S172-G202 VanDerWaalsContact O-CA 3.31Å; S172-G202 WeakPolarHBondContact O-CA 3.11Å; S172-Y203 WeakPolarHBondContact O-CD2 3.4Å; S172-Y203 PolarHBondContact O-N 2.94Å |
| 173 | Q | 97 | Very high | 94.1 | Very high | 62 Ų | 62 | 76.2 Ų | 76.2 | 29% | 0.29 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -85.6 | 140.1 | -179.4 | -71.5 | 173.7 | -27.7 | 0 | 0 | 110.9 | F166 P168 H170 P171 Y203 | F166-Q173 HydrophobicContact CE1-CB 4Å; F166-Q173 HydrophobicContact CE1-CG 4.43Å; F166-Q173 HydrophobicContact CZ-CB 4.28Å; F166-Q173 HydrophobicContact CZ-CG 4.28Å; P168-Q173 HydrophobicContact CB-CB 3.52Å; H170-Q173 HydrophobicContact CB-CG 4.37Å; H170-Q173 VanDerWaalsContact N-OE1 3.14Å; H170-Q173 WeakPolarHBondContact O-CB 3.2Å; H170-Q173 PolarHBondContact O-N 3.05Å; P171-Q173 VanDerWaalsContact C-N 3.3Å; Q173-Y203 CarbonylContact C-O 3.58Å; Q173-Y203 WeakPolarHBondContact CA-O 3.42Å |
| 174 | L | 97.5 | Very high | 94.5 | Very high | 2 Ų | 2 | 73.8 Ų | 73.8 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 145 | 175.5 | -171.6 | 61.5 | 0 | 0 | 0 | 109.3 | F166 F176 I182 C197 R200 Y203 F204 | F166-L174 WeakPolarHBondContact CD1-O 3.31Å; F166-L174 WeakPolarHBondContact CE1-O 3.3Å; L174-F176 HydrophobicContact CB-CD1 4.34Å; L174-F176 HydrophobicContact CB-CE1 4.5Å; L174-F176 HydrophobicContact CD2-CD1 3.94Å; L174-F176 HydrophobicContact CD2-CE1 4.35Å; L174-F176 HydrophobicContact CG-CD1 3.98Å; L174-I182 HydrophobicContact CD2-CG2 3.93Å; L174-C197 HydrophobicContact CD1-CB 4.26Å; L174-C197 HydrophobicContact CD2-CB 3.98Å; L174-C197 HydrophobicContact CG-CB 4.33Å; L174-R200 HydrophobicContact CD1-CB 4.14Å; L174-R200 VanDerWaalsContact CD1-O 3.25Å; L174-R200 WeakPolarHBondContact CD1-O 3.39Å; L174-Y203 PolarHBondContact N-O 3.32Å; L174-F204 HydrophobicContact CB-CD1 4.2Å; L174-F204 HydrophobicContact CD2-CD1 3.83Å; L174-F204 HydrophobicContact CD2-CE1 4.05Å |
| 175 | R | 97 | Very high | 94.6 | Very high | 145 Ų | 145 | 71.5 Ų | 71.5 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -103.8 | 135.1 | 167.6 | -178.3 | 177 | 174.6 | 177.9 | -3.4 | 109 | P168 | P168-R175 HydrophobicContact CG-CB 3.98Š|
| 176 | F | 98 | Very high | 93.9 | Very high | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.009 | 37% | 0.369 | C | S | . | . | B | Isolated β-bridge | trans | -155.4 | 162.7 | 171.2 | 51.4 | -98.3 | 0 | 0 | 0 | 110.5 | A162 F166 L174 D180 I182 C197 F204 Y208 V209 | A162-F176 HydrophobicContact CB-CD2 3.57Å; A162-F176 HydrophobicContact CB-CE2 3.96Å; A162-F176 HydrophobicContact CB-CG 4.46Å; F166-F176 HydrophobicContact CB-CD1 4.19Å; F166-F176 HydrophobicContact CB-CD2 3.81Å; F166-F176 HydrophobicContact CB-CE1 3.74Å; F166-F176 HydrophobicContact CB-CE2 3.32Å; F166-F176 HydrophobicContact CB-CG 4.23Å; F166-F176 HydrophobicContact CB-CZ 3.28Å; F166-F176 HydrophobicContact CD1-CD1 4.29Å; F166-F176 AromaticContact CD1-CE1 3.61Å; F166-F176 HydrophobicContact CD1-CE1 3.61Å; F166-F176 AromaticContact CD1-CZ 3.84Å; F166-F176 HydrophobicContact CD1-CZ 3.84Å; F166-F176 HydrophobicContact CG-CE1 4.04Å; F166-F176 HydrophobicContact CG-CE2 4.32Å; F166-F176 AromaticContact CG-CZ 3.8Å; F166-F176 HydrophobicContact CG-CZ 3.8Å; F166-F176 PolarHBondContact N-O 3.12Å; F166-F176 PolarHBondContact O-N 3.41Å; L174-F176 HydrophobicContact CB-CD1 4.34Å; L174-F176 HydrophobicContact CB-CE1 4.5Å; L174-F176 HydrophobicContact CD2-CD1 3.94Å; L174-F176 HydrophobicContact CD2-CE1 4.35Å; L174-F176 HydrophobicContact CG-CD1 3.98Å; F176-D180 WeakPolarHBondContact CA-OD2 3.4Å; F176-D180 HydrophobicContact CB-CB 4.2Å; F176-D180 WeakPolarHBondContact CB-OD2 3.45Å; F176-I182 HydrophobicContact CB-CD1 4.35Å; F176-I182 HydrophobicContact CB-CG1 4.5Å; F176-I182 HydrophobicContact CD1-CD1 3.69Å; F176-I182 HydrophobicContact CD1-CG1 4.39Å; F176-I182 HydrophobicContact CD2-CD1 3.95Å; F176-I182 HydrophobicContact CE1-CD1 3.82Å; F176-I182 HydrophobicContact CE2-CD1 4.07Å; F176-I182 HydrophobicContact CG-CD1 3.74Å; F176-I182 HydrophobicContact CG-CG1 4.38Å; F176-I182 HydrophobicContact CZ-CD1 4.01Å; F176-C197 HydrophobicContact CB-CB 4.46Å; F176-F204 HydrophobicContact CE1-CB 3.52Å; F176-F204 HydrophobicContact CE1-CD1 4.03Å; F176-F204 AromaticContact CE1-CD2 3.99Å; F176-F204 HydrophobicContact CE1-CD2 3.99Å; F176-F204 AromaticContact CE1-CG 3.57Å; F176-F204 HydrophobicContact CE1-CG 3.57Å; F176-F204 HydrophobicContact CZ-CB 3.92Å; F176-F204 AromaticContact CZ-CD2 3.97Å; F176-F204 HydrophobicContact CZ-CD2 3.97Å; F176-F204 AromaticContact CZ-CG 3.99Å; F176-F204 HydrophobicContact CZ-CG 3.99Å; F176-Y208 HydrophobicContact CE2-CD1 4.47Å; F176-V209 HydrophobicContact CE2-CG1 4.4Å; F176-V209 HydrophobicContact CZ-CG1 4.21Å |
| 177 | V | 96.5 | Very high | 93.2 | Very high | 62 Ų | 62 | 70.9 Ų | 70.9 | 38% | 0.376 | 37% | 0.373 | S | S | . | . | trans | -113 | 157.5 | 174.5 | -64.6 | 0 | 0 | 0 | 0 | 110.5 | A162 D165 G179 D180 | A162-V177 WeakPolarHBondContact CB-O 3.16Å; D165-V177 WeakPolarHBondContact OD1-CA 3.22Å; V177-G179 PolarHBondContact O-N 2.96Å; V177-D180 WeakPolarHBondContact CG2-OD2 3.45Å; V177-D180 PolarHBondContact N-OD2 3.04Å; V177-D180 VanDerWaalsContact O-CB 3.24Å; V177-D180 WeakPolarHBondContact O-CB 3.28Å; V177-D180 PolarHBondContact O-N 2.87Å | ||
| 178 | R | 94 | Very high | 92 | Very high | 188 Ų | 188 | 70 Ų | 70 | 71% | 0.709 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | 131.5 | 174.3 | 174.9 | 177.3 | 175.5 | -175.9 | -0.2 | 110.3 | L163 D165 | L163-R178 VanDerWaalsContact O-CD 3.28Å; L163-R178 WeakPolarHBondContact O-CD 3.3Å; L163-R178 VanDerWaalsContact O-CG 3.3Å; L163-R178 WeakPolarHBondContact O-CG 3.37Å; D165-R178 WeakPolarHBondContact OD1-CB 3.25Å; D165-R178 PolarHBondContact OD1-N 2.92Å |
| 179 | G | 86.8 | Confident | 91 | Very high | 51 Ų | 51 | 70.7 Ų | 70.7 | 53% | 0.526 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | -13.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | A162 V177 | A162-G179 PolarHBondContact O-N 3.47Å; V177-G179 PolarHBondContact O-N 2.96Å |
| 180 | D | 97 | Very high | 89.9 | Confident | 26 Ų | 26 | 66.4 Ų | 66.4 | 14% | 0.139 | 37% | 0.365 | C | S | . | . | trans | -59.7 | 143.9 | 173.2 | -79.6 | -22.7 | 0 | 0 | 0 | 111.3 | H161 A162 F176 V177 H198 | H161-D180 CarbonylContact C-O 3.39Å; H161-D180 WeakPolarHBondContact CA-O 3.35Å; A162-D180 HydrophobicContact CB-CB 4.15Å; A162-D180 PolarHBondContact N-O 3.35Å; F176-D180 WeakPolarHBondContact CA-OD2 3.4Å; F176-D180 HydrophobicContact CB-CB 4.2Å; F176-D180 WeakPolarHBondContact CB-OD2 3.45Å; V177-D180 WeakPolarHBondContact CG2-OD2 3.45Å; V177-D180 PolarHBondContact N-OD2 3.04Å; V177-D180 VanDerWaalsContact O-CB 3.24Å; V177-D180 WeakPolarHBondContact O-CB 3.28Å; V177-D180 PolarHBondContact O-N 2.87Å; D180-H198 IonicContact OD1-CE1 3.51Å; D180-H198 PolarHBondContact OD1-CE1 3.33Å; D180-H198 IonicContact OD1-NE2 2.77Å; D180-H198 PolarHBondContact OD1-NE2 2.86Å; D180-H198 VanDerWaalsContact OD1-NE2 3.07Å; D180-H198 IonicContact OD2-CD2 3.44Å; D180-H198 IonicContact OD2-CE1 3.44Å; D180-H198 IonicContact OD2-NE2 3.53Å; D180-H198 PolarHBondContact OD2-NE2 2.7Å | ||
| 181 | V | 95.8 | Very high | 89 | Confident | 73 Ų | 73 | 66.1 Ų | 66.1 | 44% | 0.442 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 122.9 | 166 | -178.2 | 0 | 0 | 0 | 0 | 108.1 | H159 A160 I212 | H159-V181 HydrophobicContact CB-CG1 4.01Å; A160-V181 WeakPolarHBondContact O-CA 3.43Å; V181-I212 HydrophobicContact CG1-CD1 4.3Å |
| 182 | I | 97.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 125.4 | -179.2 | -58.9 | 159.4 | 0 | 0 | 0 | 107.7 | H159 A160 A162 L174 F176 L184 C197 F204 V209 | H159-I182 CarbonylContact C-O 3.59Å; H159-I182 WeakPolarHBondContact CA-O 3.37Å; A160-I182 PolarHBondContact N-O 2.95Å; A160-I182 PolarHBondContact O-N 3.05Å; A162-I182 HydrophobicContact CB-CD1 4.17Å; L174-I182 HydrophobicContact CD2-CG2 3.93Å; F176-I182 HydrophobicContact CB-CD1 4.35Å; F176-I182 HydrophobicContact CB-CG1 4.5Å; F176-I182 HydrophobicContact CD1-CD1 3.69Å; F176-I182 HydrophobicContact CD1-CG1 4.39Å; F176-I182 HydrophobicContact CD2-CD1 3.95Å; F176-I182 HydrophobicContact CE1-CD1 3.82Å; F176-I182 HydrophobicContact CE2-CD1 4.07Å; F176-I182 HydrophobicContact CG-CD1 3.74Å; F176-I182 HydrophobicContact CG-CG1 4.38Å; F176-I182 HydrophobicContact CZ-CD1 4.01Å; I182-L184 HydrophobicContact CG2-CD2 4.36Å; I182-L184 PolarHBondContact O-N 2.71Å; I182-C197 HydrophobicContact CG1-CB 4.15Å; I182-F204 HydrophobicContact CG2-CE1 3.87Å; I182-F204 HydrophobicContact CG2-CZ 4.02Å; I182-V209 HydrophobicContact CD1-CG1 3.55Å |
| 183 | E | 95.9 | Very high | 88.8 | Confident | 91 Ų | 91 | 66 Ų | 66 | 43% | 0.425 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 120.8 | 169.2 | -178.9 | -169.6 | -175.9 | 0 | 0 | 108.4 | H158 G195 R196 | H158-E183 CarbonylContact O-C 3.56Å; H158-E183 WeakPolarHBondContact O-CA 3.46Å; E183-G195 CarbonylContact O-C 3.53Å; E183-G195 WeakPolarHBondContact O-CA 3.29Å; E183-R196 HydrophobicContact CB-CB 4.23Å; E183-R196 PolarHBondContact N-O 2.81Å; E183-R196 PolarHBondContact O-N 2.81Å; E183-R196 WeakPolarHBondContact OE2-CD 3.39Å; E183-R196 IonicContact OE2-NE 3.78Å |
| 184 | L | 93.6 | Very high | 88.8 | Confident | 19 Ų | 19 | 67.6 Ų | 67.6 | 10% | 0.099 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 119.8 | -178.7 | -63 | -176.3 | 0 | 0 | 0 | 109.8 | P157 H158 A160 I182 W193 F204 | P157-L184 HydrophobicContact CB-CD1 3.87Å; P157-L184 HydrophobicContact CG-CD1 3.69Å; P157-L184 WeakPolarHBondContact O-CB 3.05Å; P157-L184 VanDerWaalsContact O-CD1 3.29Å; P157-L184 WeakPolarHBondContact O-CD1 3.43Å; H158-L184 PolarHBondContact O-N 2.78Å; A160-L184 HydrophobicContact CB-CD1 4.09Å; A160-L184 HydrophobicContact CB-CD2 4.08Å; A160-L184 HydrophobicContact CB-CG 4.22Å; I182-L184 HydrophobicContact CG2-CD2 4.36Å; I182-L184 PolarHBondContact O-N 2.71Å; L184-W193 HydrophobicContact CD1-CE3 4Å; L184-W193 HydrophobicContact CD1-CZ3 3.7Å; L184-W193 HydrophobicContact CD2-CE3 3.88Å; L184-W193 HydrophobicContact CD2-CZ3 4.33Å; L184-F204 HydrophobicContact CD2-CE1 4.44Å; L184-F204 HydrophobicContact CD2-CZ 3.64Å |
| 185 | V | 91.2 | Very high | 88.7 | Confident | 68 Ų | 68 | 67.5 Ų | 67.5 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -40.7 | 178.9 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | R194 | V185-R194 WeakPolarHBondContact CA-O 3.11Å; V185-R194 HydrophobicContact CB-CG 4.43Å; V185-R194 PolarHBondContact N-O 3.49Å |
| 186 | D | 80.9 | Confident | 88.8 | Confident | 68 Ų | 68 | 66 Ų | 66 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 126.7 | 175 | -174.1 | 2.7 | 0 | 0 | 0 | 110.2 | S188 W193 R194 | D186-S188 PolarHBondContact OD1-N 3.17Å; D186-S188 PolarHBondContact OD1-OG 3.12Å; D186-W193 WeakPolarHBondContact O-CA 3.4Å; D186-R194 HydrophobicContact CB-CB 4.04Å; D186-R194 PolarHBondContact N-O 3.47Å; D186-R194 PolarHBondContact O-N 2.93Å |
| 187 | C | 81.3 | Confident | 88.7 | Confident | 23 Ų | 23 | 66.2 Ų | 66.2 | 16% | 0.155 | 35% | 0.346 | C | S | . | . | trans | -130.9 | 18.4 | -179.4 | 65.7 | 0 | 0 | 0 | 0 | 112.6 | W193 | C187-W193 HydrophobicContact CB-CD2 3.63Å; C187-W193 HydrophobicContact CB-CE3 3.93Å; C187-W193 HydrophobicContact CB-CG 4.1Å; C187-W193 HydrophobicContact CB-CH2 4.18Å; C187-W193 HydrophobicContact CB-CZ2 3.9Å; C187-W193 HydrophobicContact CB-CZ3 4.19Å; C187-W193 PolarHBondContact O-NE1 2.82Å | ||
| 188 | S | 70.4 | Confident | 88.6 | Confident | 72 Ų | 72 | 69.8 Ų | 69.8 | 50% | 0.503 | 36% | 0.358 | S | S | . | . | trans | -79.3 | -16.1 | -178.7 | 57.2 | 0 | 0 | 0 | 0 | 114.6 | D186 | D186-S188 PolarHBondContact OD1-N 3.17Å; D186-S188 PolarHBondContact OD1-OG 3.12Å | ||
| 189 | D | 71.4 | Confident | 88.5 | Confident | 64 Ų | 64 | 64 Ų | 64 | 34% | 0.342 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -89.7 | 137.2 | 178.7 | -175.9 | -60.7 | 0 | 0 | 0 | 110.3 | V191 R192 W193 | D189-V191 VanDerWaalsContact C-N 3.31Å; D189-V191 PolarHBondContact O-N 3.26Å; D189-V191 WeakPolarHBondContact OD1-CA 3.42Å; D189-V191 WeakPolarHBondContact OD1-CG2 3.22Å; D189-V191 PolarHBondContact OD1-N 2.93Å; D189-R192 WeakPolarHBondContact CB-O 3.17Å; D189-R192 PolarHBondContact OD1-N 3.13Å; D189-W193 PolarHBondContact O-NE1 3.16Å |
| 190 | S | 67.8 | Low | 88.9 | Confident | 91 Ų | 91 | 70 Ų | 70 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -76 | -14.4 | -175.6 | 61.6 | 0 | 0 | 0 | 0 | 114.5 | ||
| 191 | V | 74.5 | Confident | 88.9 | Confident | 104 Ų | 104 | 71.3 Ų | 71.3 | 63% | 0.63 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -122.1 | -19.2 | -172.8 | -115.8 | 0 | 0 | 0 | 0 | 113.1 | D189 P206 | D189-V191 VanDerWaalsContact C-N 3.31Å; D189-V191 PolarHBondContact O-N 3.26Å; D189-V191 WeakPolarHBondContact OD1-CA 3.42Å; D189-V191 WeakPolarHBondContact OD1-CG2 3.22Å; D189-V191 PolarHBondContact OD1-N 2.93Å; V191-P206 WeakPolarHBondContact O-CD 3.15Å |
| 192 | R | 87.8 | Confident | 88.9 | Confident | 141 Ų | 141 | 68 Ų | 68 | 53% | 0.532 | 35% | 0.353 | S | S | . | . | trans | -147.8 | 107.4 | -175.3 | -173.4 | 179.2 | 62.3 | -174.6 | -2.4 | 112.8 | D189 Y203 | D189-R192 WeakPolarHBondContact CB-O 3.17Å; D189-R192 PolarHBondContact OD1-N 3.13Å; R192-Y203 HydrophobicContact CG-CD1 3.75Å; R192-Y203 HydrophobicContact CG-CG 4.05Å | ||
| 193 | W | 93.6 | Very high | 88.9 | Confident | 34 Ų | 34 | 71.7 Ų | 71.7 | 13% | 0.129 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 157.4 | 175.7 | -71.1 | 9.1 | 0 | 0 | 0 | 111.7 | L184 D186 C187 D189 Y203 F204 P206 V209 P211 | L184-W193 HydrophobicContact CD1-CE3 4Å; L184-W193 HydrophobicContact CD1-CZ3 3.7Å; L184-W193 HydrophobicContact CD2-CE3 3.88Å; L184-W193 HydrophobicContact CD2-CZ3 4.33Å; D186-W193 WeakPolarHBondContact O-CA 3.4Å; C187-W193 HydrophobicContact CB-CD2 3.63Å; C187-W193 HydrophobicContact CB-CE3 3.93Å; C187-W193 HydrophobicContact CB-CG 4.1Å; C187-W193 HydrophobicContact CB-CH2 4.18Å; C187-W193 HydrophobicContact CB-CZ2 3.9Å; C187-W193 HydrophobicContact CB-CZ3 4.19Å; C187-W193 PolarHBondContact O-NE1 2.82Å; D189-W193 PolarHBondContact O-NE1 3.16Å; W193-Y203 CarbonylContact O-C 3.57Å; W193-Y203 WeakPolarHBondContact O-CA 3.05Å; W193-F204 HydrophobicContact CB-CE1 4.33Å; W193-F204 HydrophobicContact CB-CE2 4.03Å; W193-F204 HydrophobicContact CB-CZ 3.92Å; W193-F204 HydrophobicContact CE3-CE2 4.37Å; W193-F204 HydrophobicContact CE3-CZ 4.45Å; W193-F204 PolarHBondContact N-O 3.48Å; W193-F204 PolarHBondContact O-N 2.79Å; W193-P206 HydrophobicContact CD2-CB 3.7Å; W193-P206 HydrophobicContact CE3-CB 4.22Å; W193-P206 HydrophobicContact CG-CB 3.99Å; W193-P206 HydrophobicContact CH2-CB 4.47Å; W193-P206 HydrophobicContact CZ2-CB 3.97Å; W193-V209 HydrophobicContact CE3-CG2 4.15Å; W193-V209 HydrophobicContact CZ3-CG2 4.06Å; W193-P211 HydrophobicContact CH2-CG 3.72Å; W193-P211 HydrophobicContact CZ3-CG 3.91Å |
| 194 | R | 95.4 | Very high | 88.9 | Confident | 95 Ų | 95 | 67.5 Ų | 67.5 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 132.9 | 173.1 | -165 | 178.3 | -177.1 | -125.3 | 1.4 | 109.1 | V185 D186 V201 G202 Y203 | V185-R194 WeakPolarHBondContact CA-O 3.11Å; V185-R194 HydrophobicContact CB-CG 4.43Å; V185-R194 PolarHBondContact N-O 3.49Å; D186-R194 HydrophobicContact CB-CB 4.04Å; D186-R194 PolarHBondContact N-O 3.47Å; D186-R194 PolarHBondContact O-N 2.93Å; R194-V201 HydrophobicContact CG-CG1 4.14Å; R194-G202 WeakPolarHBondContact CA-O 3.24Å; R194-Y203 HydrophobicContact CB-CD1 3.85Å; R194-Y203 HydrophobicContact CB-CE1 3.77Å; R194-Y203 HydrophobicContact CG-CD1 4.13Å; R194-Y203 HydrophobicContact CG-CE1 3.95Å |
| 195 | G | 96.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 177 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E183 V201 G202 | E183-G195 CarbonylContact O-C 3.53Å; E183-G195 WeakPolarHBondContact O-CA 3.29Å; G195-V201 VanDerWaalsContact O-CA 3.3Å; G195-V201 WeakPolarHBondContact O-CA 2.96Å; G195-G202 PolarHBondContact N-O 3.05Å; G195-G202 PolarHBondContact O-N 3.24Å |
| 196 | R | 97.8 | Very high | 88.8 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.2 | 177.5 | -171.4 | -172.8 | -60.2 | -105.1 | -0.1 | 110 | E183 R200 V201 | E183-R196 HydrophobicContact CB-CB 4.23Å; E183-R196 PolarHBondContact N-O 2.81Å; E183-R196 PolarHBondContact O-N 2.81Å; E183-R196 WeakPolarHBondContact OE2-CD 3.39Å; E183-R196 IonicContact OE2-NE 3.78Å; R196-R200 CarbonylContact C-O 3.6Å; R196-R200 WeakPolarHBondContact CA-O 3.39Å; R196-R200 WeakPolarHBondContact CG-O 3.22Å; R196-V201 HydrophobicContact CB-CG2 3.99Å; R196-V201 HydrophobicContact CG-CG2 3.86Å |
| 197 | C | 96.9 | Very high | 89.2 | Confident | 7 Ų | 7 | 68.1 Ų | 68.1 | 5% | 0.047 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 140.4 | 174 | -164.6 | 0 | 0 | 0 | 0 | 108.9 | L174 F176 I182 G199 R200 | L174-C197 HydrophobicContact CD1-CB 4.26Å; L174-C197 HydrophobicContact CD2-CB 3.98Å; L174-C197 HydrophobicContact CG-CB 4.33Å; F176-C197 HydrophobicContact CB-CB 4.46Å; I182-C197 HydrophobicContact CG1-CB 4.15Å; C197-G199 PolarHBondContact O-N 2.92Å; C197-G199 VanDerWaalsContact O-N 3.12Å; C197-R200 PolarHBondContact N-O 2.82Å; C197-R200 PolarHBondContact O-N 2.7Å |
| 198 | H | 93.7 | Very high | 89.7 | Confident | 136 Ų | 136 | 70.6 Ų | 70.6 | 63% | 0.63 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 40.2 | -178.8 | -56.6 | -58.2 | 0 | 0 | 0 | 114.1 | D180 R200 | D180-H198 IonicContact OD1-CE1 3.51Å; D180-H198 PolarHBondContact OD1-CE1 3.33Å; D180-H198 IonicContact OD1-NE2 2.77Å; D180-H198 PolarHBondContact OD1-NE2 2.86Å; D180-H198 VanDerWaalsContact OD1-NE2 3.07Å; D180-H198 IonicContact OD2-CD2 3.44Å; D180-H198 IonicContact OD2-CE1 3.44Å; D180-H198 IonicContact OD2-NE2 3.53Å; D180-H198 PolarHBondContact OD2-NE2 2.7Å; H198-R200 PolarHBondContact O-N 3.47Å |
| 199 | G | 91.9 | Very high | 90.8 | Very high | 67 Ų | 67 | 67.6 Ų | 67.6 | 69% | 0.691 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.7 | -0.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | C197 | C197-G199 PolarHBondContact O-N 2.92Å; C197-G199 VanDerWaalsContact O-N 3.12Å |
| 200 | R | 95.3 | Very high | 91.6 | Very high | 178 Ų | 178 | 69.6 Ų | 69.6 | 67% | 0.672 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 147.9 | 176.2 | -65.6 | -173.5 | 178.8 | -168.7 | -0.4 | 110.8 | L174 R196 C197 H198 | L174-R200 HydrophobicContact CD1-CB 4.14Å; L174-R200 VanDerWaalsContact CD1-O 3.25Å; L174-R200 WeakPolarHBondContact CD1-O 3.39Å; R196-R200 CarbonylContact C-O 3.6Å; R196-R200 WeakPolarHBondContact CA-O 3.39Å; R196-R200 WeakPolarHBondContact CG-O 3.22Å; C197-R200 PolarHBondContact N-O 2.82Å; C197-R200 PolarHBondContact O-N 2.7Å; H198-R200 PolarHBondContact O-N 3.47Å |
| 201 | V | 97.1 | Very high | 92.5 | Very high | 53 Ų | 53 | 66.3 Ų | 66.3 | 32% | 0.321 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 134.8 | 173.8 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | R194 G195 R196 | R194-V201 HydrophobicContact CG-CG1 4.14Å; G195-V201 VanDerWaalsContact O-CA 3.3Å; G195-V201 WeakPolarHBondContact O-CA 2.96Å; R196-V201 HydrophobicContact CB-CG2 3.99Å; R196-V201 HydrophobicContact CG-CG2 3.86Å |
| 202 | G | 96.6 | Very high | 93 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | 178.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S172 R194 G195 | S172-G202 CarbonylContact O-C 3.56Å; S172-G202 VanDerWaalsContact O-CA 3.31Å; S172-G202 WeakPolarHBondContact O-CA 3.11Å; R194-G202 WeakPolarHBondContact CA-O 3.24Å; G195-G202 PolarHBondContact N-O 3.05Å; G195-G202 PolarHBondContact O-N 3.24Å |
| 203 | Y | 96.8 | Very high | 92.1 | Very high | 77 Ų | 77 | 63 Ų | 63 | 30% | 0.302 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 149.9 | 179.4 | -64.5 | -79.7 | 0 | 0 | 0 | 112.4 | S172 Q173 L174 R192 W193 R194 | S172-Y203 WeakPolarHBondContact O-CD2 3.4Å; S172-Y203 PolarHBondContact O-N 2.94Å; Q173-Y203 CarbonylContact C-O 3.58Å; Q173-Y203 WeakPolarHBondContact CA-O 3.42Å; L174-Y203 PolarHBondContact N-O 3.32Å; R192-Y203 HydrophobicContact CG-CD1 3.75Å; R192-Y203 HydrophobicContact CG-CG 4.05Å; W193-Y203 CarbonylContact O-C 3.57Å; W193-Y203 WeakPolarHBondContact O-CA 3.05Å; R194-Y203 HydrophobicContact CB-CD1 3.85Å; R194-Y203 HydrophobicContact CB-CE1 3.77Å; R194-Y203 HydrophobicContact CG-CD1 4.13Å; R194-Y203 HydrophobicContact CG-CE1 3.95Å |
| 204 | F | 96.7 | Very high | 90.4 | Very high | 3 Ų | 3 | 68 Ų | 68 | 1% | 0.013 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 159.3 | 173.3 | 61.8 | -86.6 | 0 | 0 | 0 | 111 | F166 L174 F176 I182 L184 W193 V209 | F166-F204 HydrophobicContact CD1-CB 3.75Å; F166-F204 HydrophobicContact CE1-CB 3.64Å; F166-F204 HydrophobicContact CZ-CB 4.39Å; L174-F204 HydrophobicContact CB-CD1 4.2Å; L174-F204 HydrophobicContact CD2-CD1 3.83Å; L174-F204 HydrophobicContact CD2-CE1 4.05Å; F176-F204 HydrophobicContact CE1-CB 3.52Å; F176-F204 HydrophobicContact CE1-CD1 4.03Å; F176-F204 AromaticContact CE1-CD2 3.99Å; F176-F204 HydrophobicContact CE1-CD2 3.99Å; F176-F204 AromaticContact CE1-CG 3.57Å; F176-F204 HydrophobicContact CE1-CG 3.57Å; F176-F204 HydrophobicContact CZ-CB 3.92Å; F176-F204 AromaticContact CZ-CD2 3.97Å; F176-F204 HydrophobicContact CZ-CD2 3.97Å; F176-F204 AromaticContact CZ-CG 3.99Å; F176-F204 HydrophobicContact CZ-CG 3.99Å; I182-F204 HydrophobicContact CG2-CE1 3.87Å; I182-F204 HydrophobicContact CG2-CZ 4.02Å; L184-F204 HydrophobicContact CD2-CE1 4.44Å; L184-F204 HydrophobicContact CD2-CZ 3.64Å; W193-F204 HydrophobicContact CB-CE1 4.33Å; W193-F204 HydrophobicContact CB-CE2 4.03Å; W193-F204 HydrophobicContact CB-CZ 3.92Å; W193-F204 HydrophobicContact CE3-CE2 4.37Å; W193-F204 HydrophobicContact CE3-CZ 4.45Å; W193-F204 PolarHBondContact N-O 3.48Å; W193-F204 PolarHBondContact O-N 2.79Å; F204-V209 HydrophobicContact CD2-CG1 3.93Å; F204-V209 HydrophobicContact CE2-CB 4.29Å; F204-V209 HydrophobicContact CE2-CG1 3.49Å; F204-V209 VanDerWaalsContact CE2-CG1 3.49Å; F204-V209 HydrophobicContact CE2-CG2 3.74Å; F204-V209 HydrophobicContact CZ-CG1 4.31Å |
| 205 | P | 93.1 | Very high | 87.8 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 16% | 0.162 | 35% | 0.347 | C | S | . | . | trans | -75.3 | 134 | 177.7 | -13.4 | 30.2 | 0 | 0 | 0 | 111.2 | F166 E207 Y208 | F166-P205 HydrophobicContact CE2-CG 4.12Å; F166-P205 HydrophobicContact CZ-CG 4.36Å; P205-E207 HydrophobicContact CB-CG 4.28Å; P205-E207 WeakPolarHBondContact CB-OE1 3.24Å; P205-E207 WeakPolarHBondContact CB-OE2 3.21Å; P205-E207 PolarHBondContact O-N 3.03Å; P205-Y208 HydrophobicContact CB-CD2 3.93Å; P205-Y208 HydrophobicContact CB-CE2 4.3Å; P205-Y208 HydrophobicContact CG-CD2 4Å; P205-Y208 HydrophobicContact CG-CE2 4.09Å; P205-Y208 PolarHBondContact O-N 3.07Å; P205-Y208 VanDerWaalsContact O-N 3.13Å | ||
| 206 | P | 88.7 | Confident | 85.1 | Confident | 25 Ų | 25 | 84.6 Ų | 84.6 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -59.8 | -26.5 | -176.7 | 22.6 | -32.1 | 0 | 0 | 0 | 114.2 | V191 W193 Y208 V209 | V191-P206 WeakPolarHBondContact O-CD 3.15Å; W193-P206 HydrophobicContact CD2-CB 3.7Å; W193-P206 HydrophobicContact CE3-CB 4.22Å; W193-P206 HydrophobicContact CG-CB 3.99Å; W193-P206 HydrophobicContact CH2-CB 4.47Å; W193-P206 HydrophobicContact CZ2-CB 3.97Å; P206-Y208 PolarHBondContact O-N 3.44Å; P206-Y208 VanDerWaalsContact O-N 3.12Å; P206-V209 WeakPolarHBondContact O-CG2 3.3Å; P206-V209 PolarHBondContact O-N 2.82Å; P206-V209 VanDerWaalsContact O-N 3.16Å |
| 207 | E | 88.8 | Confident | 84.4 | Confident | 119 Ų | 119 | 83.1 Ų | 83.1 | 56% | 0.556 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -65.5 | -12.3 | 178.2 | 67.4 | -86.4 | -159.4 | 0 | 0 | 114.1 | P205 V209 | P205-E207 HydrophobicContact CB-CG 4.28Å; P205-E207 WeakPolarHBondContact CB-OE1 3.24Å; P205-E207 WeakPolarHBondContact CB-OE2 3.21Å; P205-E207 PolarHBondContact O-N 3.03Å; E207-V209 VanDerWaalsContact C-N 3.29Å |
| 208 | Y | 92.6 | Very high | 83.8 | Confident | 75 Ų | 75 | 87.1 Ų | 87.1 | 29% | 0.294 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -82.1 | -7.6 | 176.4 | -81.3 | -109.9 | 0 | 0 | 0 | 113.6 | L163 F164 D165 F166 F176 P205 P206 | L163-Y208 PolarHBondContact N-O 3.32Å; F164-Y208 HydrophobicContact CB-CD1 3.88Å; F164-Y208 HydrophobicContact CB-CE1 4.19Å; F164-Y208 HydrophobicContact CD2-CD1 4.46Å; D165-Y208 WeakPolarHBondContact O-CE1 3.42Å; F166-Y208 HydrophobicContact CB-CD1 3.86Å; F166-Y208 HydrophobicContact CB-CE1 4.24Å; F166-Y208 AromaticContact CD2-CD1 3.97Å; F166-Y208 HydrophobicContact CD2-CD1 3.97Å; F166-Y208 AromaticContact CD2-CE1 3.79Å; F166-Y208 HydrophobicContact CD2-CE1 3.79Å; F166-Y208 HydrophobicContact CD2-CG 4.41Å; F166-Y208 HydrophobicContact CG-CD1 4.25Å; F166-Y208 HydrophobicContact CG-CE1 4.44Å; F176-Y208 HydrophobicContact CE2-CD1 4.47Å; P205-Y208 HydrophobicContact CB-CD2 3.93Å; P205-Y208 HydrophobicContact CB-CE2 4.3Å; P205-Y208 HydrophobicContact CG-CD2 4Å; P205-Y208 HydrophobicContact CG-CE2 4.09Å; P205-Y208 PolarHBondContact O-N 3.07Å; P205-Y208 VanDerWaalsContact O-N 3.13Å; P206-Y208 PolarHBondContact O-N 3.44Å; P206-Y208 VanDerWaalsContact O-N 3.12Å |
| 209 | V | 94.3 | Very high | 83.2 | Confident | 8 Ų | 8 | 84.4 Ų | 84.4 | 5% | 0.048 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 151.6 | -170 | -51 | 0 | 0 | 0 | 0 | 112.5 | A160 H161 F176 I182 W193 F204 P206 E207 | A160-V209 HydrophobicContact CB-CB 3.74Å; A160-V209 HydrophobicContact CB-CG2 3.67Å; H161-V209 CarbonylContact O-C 3.49Å; H161-V209 WeakPolarHBondContact O-CA 3.28Å; F176-V209 HydrophobicContact CE2-CG1 4.4Å; F176-V209 HydrophobicContact CZ-CG1 4.21Å; I182-V209 HydrophobicContact CD1-CG1 3.55Å; W193-V209 HydrophobicContact CE3-CG2 4.15Å; W193-V209 HydrophobicContact CZ3-CG2 4.06Å; F204-V209 HydrophobicContact CD2-CG1 3.93Å; F204-V209 HydrophobicContact CE2-CB 4.29Å; F204-V209 HydrophobicContact CE2-CG1 3.49Å; F204-V209 VanDerWaalsContact CE2-CG1 3.49Å; F204-V209 HydrophobicContact CE2-CG2 3.74Å; F204-V209 HydrophobicContact CZ-CG1 4.31Å; P206-V209 WeakPolarHBondContact O-CG2 3.3Å; P206-V209 PolarHBondContact O-N 2.82Å; P206-V209 VanDerWaalsContact O-N 3.16Å; E207-V209 VanDerWaalsContact C-N 3.29Å |
| 210 | Q | 87.9 | Confident | 82.7 | Confident | 107 Ų | 107 | 85.4 Ų | 85.4 | 50% | 0.5 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 113.3 | 169 | -179.9 | 63.2 | 57.9 | 0 | 0 | 108.8 | A160 H161 L163 | A160-Q210 CarbonylContact C-O 3.42Å; A160-Q210 VanDerWaalsContact CA-O 3.28Å; A160-Q210 WeakPolarHBondContact CA-O 3.41Å; H161-Q210 PolarHBondContact N-O 2.83Å; H161-Q210 PolarHBondContact O-N 2.83Å; L163-Q210 HydrophobicContact CD1-CB 4.13Å; L163-Q210 HydrophobicContact CD2-CB 3.88Å; L163-Q210 HydrophobicContact CG-CB 4.04Å |
| 211 | P | 86.8 | Confident | 81.9 | Confident | 21 Ų | 21 | 79.6 Ų | 79.6 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 141.4 | 179.3 | -17.4 | 28.8 | 0 | 0 | 0 | 112.3 | P157 W193 Y213 | P157-P211 HydrophobicContact CB-CB 3.58Å; P157-P211 HydrophobicContact CG-CB 3.65Å; P157-P211 HydrophobicContact CG-CG 4.48Å; W193-P211 HydrophobicContact CH2-CG 3.72Å; W193-P211 HydrophobicContact CZ3-CG 3.91Å; P211-Y213 HydrophobicContact CB-CD2 4.47Å; P211-Y213 HydrophobicContact CB-CE2 3.72Å; P211-Y213 HydrophobicContact CG-CE2 4.43Å |
| 212 | I | 83.6 | Confident | 80.9 | Confident | 53 Ų | 53 | 81.4 Ų | 81.4 | 27% | 0.272 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 111.4 | 177.9 | -53.8 | 169.9 | 0 | 0 | 0 | 108.2 | H159 H161 V181 | H159-I212 HydrophobicContact CB-CB 4.37Å; H159-I212 HydrophobicContact CB-CD1 3.86Å; H159-I212 HydrophobicContact CB-CG1 4.5Å; H159-I212 PolarHBondContact O-N 2.95Å; H161-I212 WeakPolarHBondContact CE1-CD1 3.42Å; H161-I212 WeakPolarHBondContact ND1-CD1 3.44Å; H161-I212 WeakPolarHBondContact ND1-CG1 3.42Å; V181-I212 HydrophobicContact CG1-CD1 4.3Å |
| 213 | Y | 70.8 | Confident | 79.8 | Confident | 123 Ų | 123 | 87 Ų | 87 | 48% | 0.482 | 39% | 0.391 | S | S | . | . | trans | -98.3 | 113.4 | 173.1 | -58.5 | -85.2 | 0 | 0 | 0 | 108.5 | P157 P211 Y215 | P157-Y213 HydrophobicContact CB-CD1 4.32Å; P157-Y213 HydrophobicContact CB-CE1 4.03Å; P157-Y213 HydrophobicContact CG-CE1 4Å; P211-Y213 HydrophobicContact CB-CD2 4.47Å; P211-Y213 HydrophobicContact CB-CE2 3.72Å; P211-Y213 HydrophobicContact CG-CE2 4.43Å; Y213-Y215 PolarHBondContact O-N 2.73Å | ||
| 214 | Q | 57.5 | Low | 78.5 | Confident | 138 Ų | 138 | 87.8 Ų | 87.8 | 65% | 0.645 | 40% | 0.398 | S | S | * | . | trans | -72.8 | 117.8 | 172.6 | -71 | -172.8 | -12.6 | 0 | 0 | 109.2 | R155 | R155-Q214 PolarHBondContact NH1-O 2.89Š| ||
| 215 | Y | 40.3 | Very low | 77 | Confident | 225 Ų | 225 | 94.8 Ų | 94.8 | 88% | 0.882 | 43% | 0.43 | S | S | * | . | trans | -72.9 | 124 | 161 | -69.8 | -87.4 | 0 | 0 | 0 | 107.4 | Y213 | Y213-Y215 PolarHBondContact O-N 2.73Š| ||
| 216 | Q | 39.6 | Very low | 75.5 | Confident | 219 Ų | 219 | 101.2 Ų | 101.2 | 100% | 1.023 | 46% | 0.455 | S | S | * | . | trans | -103.6 | 0 | 158 | -78.4 | 179.1 | -19.5 | 0 | 0 | 106.8 | R155 | R155-Q216 VanDerWaalsContact NH1-N 3.19Š|
Retrieved 216 of 216 residues in 257.2 ms
(Link to these results)